smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=C(C)C[N@@H+]1CC[C@H](O)CC12CCC2 335612308 533512205 /nfs/dbraw/zinc/51/22/05/533512205.db2.gz RFZPZKCINBSOMB-NSHDSACASA-N 1 0 195.306 1.942 10 30 ADEERO C=C1CC[NH+](CC(C)(C)O)CC1 335585413 534464518 /nfs/dbraw/zinc/46/45/18/534464518.db2.gz XQWZJUVUWKCRGH-UHFFFAOYSA-N 1 0 169.268 1.409 10 30 ADEERO C=C1CC[NH+](C[C@@H](O)C(C)C)CC1 335616241 534466113 /nfs/dbraw/zinc/46/61/13/534466113.db2.gz XTUUUFAQMUVLGM-LLVKDONJSA-N 1 0 183.295 1.655 10 30 ADEERO C=C[C@@H](C)[NH2+][C@@H]1CCCOC1 157273481 534512765 /nfs/dbraw/zinc/51/27/65/534512765.db2.gz BHJXKYUGPRBURM-RKDXNWHRSA-N 1 0 155.241 1.330 10 30 ADEERO C=C[C@@H](C)[NH2+][C@H]1CCCOC1 157273751 534512774 /nfs/dbraw/zinc/51/27/74/534512774.db2.gz BHJXKYUGPRBURM-BDAKNGLRSA-N 1 0 155.241 1.330 10 30 ADEERO C=C[C@H](C)[NH2+][C@@H]1CCCOCC1 161468619 534668936 /nfs/dbraw/zinc/66/89/36/534668936.db2.gz XLQNWPVBIKWXCG-VHSXEESVSA-N 1 0 169.268 1.720 10 30 ADEERO CC#CC[N@@H+]1CCC2(CCOCC2)C1 336553252 534709091 /nfs/dbraw/zinc/70/90/91/534709091.db2.gz HPXAGERTLRMVPT-UHFFFAOYSA-N 1 0 193.290 1.512 10 30 ADEERO CC1(C)[C@H](O)CC[N@@H+]1CCCC#N 306569486 535085765 /nfs/dbraw/zinc/08/57/65/535085765.db2.gz LBDJGWKCNBNVEF-SECBINFHSA-N 1 0 182.267 1.135 10 30 ADEERO CC1(C#N)CC[NH+](CCCC#N)CC1 227352918 535276304 /nfs/dbraw/zinc/27/63/04/535276304.db2.gz QSLXZETWFAIDJZ-UHFFFAOYSA-N 1 0 191.278 1.916 10 30 ADEERO CC(C)(O)C[NH+]1CCC(CC#N)CC1 307036126 535303401 /nfs/dbraw/zinc/30/34/01/535303401.db2.gz WQRZADXVUINHKF-UHFFFAOYSA-N 1 0 196.294 1.383 10 30 ADEERO CC[C@](C)(O)C[NH+]1CCC(C#N)CC1 229343026 535844407 /nfs/dbraw/zinc/84/44/07/535844407.db2.gz RZWVLAANSBYALV-NSHDSACASA-N 1 0 196.294 1.383 10 30 ADEERO C=CC[N@@H+](C)C[C@@](C)(O)CC 17667923 537776818 /nfs/dbraw/zinc/77/68/18/537776818.db2.gz UMDHGMXRXMABME-VIFPVBQESA-N 1 0 157.257 1.265 10 30 ADEERO C=CC[N@@H+](C)C[C@](C)(O)CC 17667921 537779318 /nfs/dbraw/zinc/77/93/18/537779318.db2.gz UMDHGMXRXMABME-SECBINFHSA-N 1 0 157.257 1.265 10 30 ADEERO C=CC[NH+](CC=C)CCOCC 32147569 537788141 /nfs/dbraw/zinc/78/81/41/537788141.db2.gz BFMZEWBLGHVUAP-UHFFFAOYSA-N 1 0 169.268 1.697 10 30 ADEERO C=CCOCC[NH2+]Cc1ccccc1 34305251 537792008 /nfs/dbraw/zinc/79/20/08/537792008.db2.gz AOYQCCATOKLEAN-UHFFFAOYSA-N 1 0 191.274 1.979 10 30 ADEERO C=C(C)CCC1=C[C@@H](N)C[NH2+]C1 675076910 537792408 /nfs/dbraw/zinc/79/24/08/537792408.db2.gz GZPATQQJPDRZPH-SNVBAGLBSA-N 1 0 166.268 1.200 10 30 ADEERO C=C(C)CCC1=C[C@H](N)C[NH2+]C1 675076906 537793184 /nfs/dbraw/zinc/79/31/84/537793184.db2.gz GZPATQQJPDRZPH-JTQLQIEISA-N 1 0 166.268 1.200 10 30 ADEERO C=CC[C@@H](C)C1=C[C@@H](O)C[NH2+]C1 675077735 537797105 /nfs/dbraw/zinc/79/71/05/537797105.db2.gz QYYGAJWTWBIONJ-PSASIEDQSA-N 1 0 167.252 1.089 10 30 ADEERO C=C(CC)CC1=C[C@H](O)C[NH2+]C1 675077381 537798268 /nfs/dbraw/zinc/79/82/68/537798268.db2.gz MDXNVOLERUJQQM-JTQLQIEISA-N 1 0 167.252 1.233 10 30 ADEERO C=CC[C@H](C)C1=C[C@H](O)C[NH2+]C1 675077738 537798343 /nfs/dbraw/zinc/79/83/43/537798343.db2.gz QYYGAJWTWBIONJ-WPRPVWTQSA-N 1 0 167.252 1.089 10 30 ADEERO C=CC[C@H](C)C1=C[C@@H](O)C[NH2+]C1 675077737 537798377 /nfs/dbraw/zinc/79/83/77/537798377.db2.gz QYYGAJWTWBIONJ-WCBMZHEXSA-N 1 0 167.252 1.089 10 30 ADEERO C=C(C)CCC1=C[C@@H](O)C[NH2+]C1 675077804 537798518 /nfs/dbraw/zinc/79/85/18/537798518.db2.gz RIDGFBBTIWCYDG-SNVBAGLBSA-N 1 0 167.252 1.233 10 30 ADEERO C=C(C)CCC1=C[C@H](O)C[NH2+]C1 675077803 537799368 /nfs/dbraw/zinc/79/93/68/537799368.db2.gz RIDGFBBTIWCYDG-JTQLQIEISA-N 1 0 167.252 1.233 10 30 ADEERO C=C(Cl)CC1=C[C@H](O)C[NH2+]C1 675077673 537799842 /nfs/dbraw/zinc/79/98/42/537799842.db2.gz PXSWVKSVQMKPPD-QMMMGPOBSA-N 1 0 173.643 1.020 10 30 ADEERO C=C(CC)CC1=C[C@@H](O)C[NH2+]C1 675077382 537799956 /nfs/dbraw/zinc/79/99/56/537799956.db2.gz MDXNVOLERUJQQM-SNVBAGLBSA-N 1 0 167.252 1.233 10 30 ADEERO C=C(Cl)CC1=C[C@@H](O)C[NH2+]C1 675077672 537800236 /nfs/dbraw/zinc/80/02/36/537800236.db2.gz PXSWVKSVQMKPPD-MRVPVSSYSA-N 1 0 173.643 1.020 10 30 ADEERO C=CC[C@@H](C)C1=C[C@H](O)C[NH2+]C1 675077736 537800530 /nfs/dbraw/zinc/80/05/30/537800530.db2.gz QYYGAJWTWBIONJ-SCZZXKLOSA-N 1 0 167.252 1.089 10 30 ADEERO C=C(CC)CC1=C[C@@H](N)C[NH2+]C1 675078172 537801490 /nfs/dbraw/zinc/80/14/90/537801490.db2.gz WOLODSVMCNYQCR-SNVBAGLBSA-N 1 0 166.268 1.200 10 30 ADEERO C=CC[C@@H](C)C1=C[C@@H](N)C[NH2+]C1 675078240 537801670 /nfs/dbraw/zinc/80/16/70/537801670.db2.gz ODRWPHHEWYSFCU-PSASIEDQSA-N 1 0 166.268 1.056 10 30 ADEERO C=CC[C@H](C)C1=C[C@H](N)C[NH2+]C1 675078245 537801783 /nfs/dbraw/zinc/80/17/83/537801783.db2.gz ODRWPHHEWYSFCU-WPRPVWTQSA-N 1 0 166.268 1.056 10 30 ADEERO C=CC[C@H](C)C1=C[C@@H](N)C[NH2+]C1 675078244 537802060 /nfs/dbraw/zinc/80/20/60/537802060.db2.gz ODRWPHHEWYSFCU-WCBMZHEXSA-N 1 0 166.268 1.056 10 30 ADEERO CC(C)(C)C#CCC1=C[C@H](O)C[NH2+]C1 675078308 537802269 /nfs/dbraw/zinc/80/22/69/537802269.db2.gz XEUOXOQFCGNMOU-NSHDSACASA-N 1 0 193.290 1.317 10 30 ADEERO C=C(CC)CC1=C[C@H](N)C[NH2+]C1 675078170 537802276 /nfs/dbraw/zinc/80/22/76/537802276.db2.gz WOLODSVMCNYQCR-JTQLQIEISA-N 1 0 166.268 1.200 10 30 ADEERO CC(C)(C)C#CCC1=C[C@@H](O)C[NH2+]C1 675078307 537802306 /nfs/dbraw/zinc/80/23/06/537802306.db2.gz XEUOXOQFCGNMOU-LLVKDONJSA-N 1 0 193.290 1.317 10 30 ADEERO C=CC[C@@H](C)C1=C[C@H](N)C[NH2+]C1 675078241 537802410 /nfs/dbraw/zinc/80/24/10/537802410.db2.gz ODRWPHHEWYSFCU-SCZZXKLOSA-N 1 0 166.268 1.056 10 30 ADEERO CC(C)[NH+]1CCC2(CC1)OC=CC2=O 675079650 537803897 /nfs/dbraw/zinc/80/38/97/537803897.db2.gz WEURXFPGBVPIAB-UHFFFAOYSA-N 1 0 195.262 1.342 10 30 ADEERO C#C[C@]1([NH3+])CC[C@H](C)[C@H](C)C1 685946534 537816320 /nfs/dbraw/zinc/81/63/20/537816320.db2.gz AJKMWBHEHNAFAG-AEJSXWLSSA-N 1 0 151.253 1.773 10 30 ADEERO C#C[C@]1([NH3+])CC[C@@H](C)[C@@H](C)C1 685946539 537816334 /nfs/dbraw/zinc/81/63/34/537816334.db2.gz AJKMWBHEHNAFAG-UTLUCORTSA-N 1 0 151.253 1.773 10 30 ADEERO C#C[C@]1([NH3+])CC[C@H](C)[C@@H](C)C1 685946537 537816786 /nfs/dbraw/zinc/81/67/86/537816786.db2.gz AJKMWBHEHNAFAG-GUBZILKMSA-N 1 0 151.253 1.773 10 30 ADEERO C#C[C@]1([NH3+])CC[C@@H](C)[C@H](C)C1 685946536 537817300 /nfs/dbraw/zinc/81/73/00/537817300.db2.gz AJKMWBHEHNAFAG-BBBLOLIVSA-N 1 0 151.253 1.773 10 30 ADEERO C#CC1([NH3+])CCC(C)(C)CC1 685947205 537818999 /nfs/dbraw/zinc/81/89/99/537818999.db2.gz GQKUOPJPPFFYSX-UHFFFAOYSA-N 1 0 151.253 1.917 10 30 ADEERO O=C[C@@]12CCCC[C@H]1[NH2+]CC2 685948029 537821825 /nfs/dbraw/zinc/82/18/25/537821825.db2.gz VFYUKVYGKYHWIH-BDAKNGLRSA-N 1 0 153.225 1.108 10 30 ADEERO C#C[C@]1([NH3+])C[C@@H](C)C[C@@H](C)C1 685947929 537822291 /nfs/dbraw/zinc/82/22/91/537822291.db2.gz UEHKMFFIONLBRT-ILWJIGKKSA-N 1 0 151.253 1.773 10 30 ADEERO CC[C@H](C)[NH2+]Cc1cnc(C#N)n1C 685948201 537822613 /nfs/dbraw/zinc/82/26/13/537822613.db2.gz ALOWNMPFWMLRIZ-QMMMGPOBSA-N 1 0 192.266 1.180 10 30 ADEERO O=C[C@]12CCCC[C@H]1[NH2+]CC2 685948033 537822651 /nfs/dbraw/zinc/82/26/51/537822651.db2.gz VFYUKVYGKYHWIH-RKDXNWHRSA-N 1 0 153.225 1.108 10 30 ADEERO O=C[C@@]12CCCC[C@@H]1[NH2+]CC2 685948032 537822795 /nfs/dbraw/zinc/82/27/95/537822795.db2.gz VFYUKVYGKYHWIH-IUCAKERBSA-N 1 0 153.225 1.108 10 30 ADEERO C#CC1([NH3+])C[C@@H](C)C[C@H](C)C1 685947931 537822820 /nfs/dbraw/zinc/82/28/20/537822820.db2.gz UEHKMFFIONLBRT-IUCAKERBSA-N 1 0 151.253 1.773 10 30 ADEERO CC(C)C[NH2+]Cc1cnc(C#N)n1C 685948334 537822969 /nfs/dbraw/zinc/82/29/69/537822969.db2.gz IGHGDRQZAUHLEO-UHFFFAOYSA-N 1 0 192.266 1.037 10 30 ADEERO Cn1c(C[NH2+]C(C)(C)C)cnc1C#N 685948216 537823116 /nfs/dbraw/zinc/82/31/16/537823116.db2.gz BDRQQFCCEWFVRG-UHFFFAOYSA-N 1 0 192.266 1.180 10 30 ADEERO O=C[C@]12CCCC[C@@H]1[NH2+]CC2 685948030 537823388 /nfs/dbraw/zinc/82/33/88/537823388.db2.gz VFYUKVYGKYHWIH-DTWKUNHWSA-N 1 0 153.225 1.108 10 30 ADEERO C#CC1([NH3+])C[C@H](C)C[C@@H](C)C1 685947932 537823782 /nfs/dbraw/zinc/82/37/82/537823782.db2.gz UEHKMFFIONLBRT-RKDXNWHRSA-N 1 0 151.253 1.773 10 30 ADEERO CC[C@@H](C)[NH2+]Cc1cnc(C#N)n1C 685948200 537824157 /nfs/dbraw/zinc/82/41/57/537824157.db2.gz ALOWNMPFWMLRIZ-MRVPVSSYSA-N 1 0 192.266 1.180 10 30 ADEERO CCCC[NH2+]Cc1cnc(C#N)n1C 685948904 537825394 /nfs/dbraw/zinc/82/53/94/537825394.db2.gz WCWCMVGMHBBOGC-UHFFFAOYSA-N 1 0 192.266 1.181 10 30 ADEERO CC(C)(C)OC(=O)C#CC1CC([NH3+])C1 685950260 537828575 /nfs/dbraw/zinc/82/85/75/537828575.db2.gz LKLNLBYDHOIRTF-UHFFFAOYSA-N 1 0 195.262 1.069 10 30 ADEERO C#CC(C)(C)N1CC[NH+](C(C)C)CC1 685950414 537829052 /nfs/dbraw/zinc/82/90/52/537829052.db2.gz PJBMLLAEIIUKPB-UHFFFAOYSA-N 1 0 194.322 1.424 10 30 ADEERO C=CC[C@@H](C)n1cc[nH+]c1N 685951021 537831364 /nfs/dbraw/zinc/83/13/64/537831364.db2.gz AJGKBIMGRBVKRG-SSDOTTSWSA-N 1 0 151.213 1.602 10 30 ADEERO N#C[C@H]1CCC[N@@H+]2CCCC[C@H]12 38282253 537831433 /nfs/dbraw/zinc/83/14/33/537831433.db2.gz NXSJJHAEJAQDGI-NXEZZACHSA-N 1 0 164.252 1.774 10 30 ADEERO C=CC[C@H](C)n1cc[nH+]c1N 685951022 537831550 /nfs/dbraw/zinc/83/15/50/537831550.db2.gz AJGKBIMGRBVKRG-ZETCQYMHSA-N 1 0 151.213 1.602 10 30 ADEERO C=CCCCn1cc[nH+]c1N 685951290 537832202 /nfs/dbraw/zinc/83/22/02/537832202.db2.gz WNDWQRMVWCPSQT-UHFFFAOYSA-N 1 0 151.213 1.432 10 30 ADEERO C[NH2+]C[C@H](C)C#CC(=O)OC(C)(C)C 685952635 537834312 /nfs/dbraw/zinc/83/43/12/537834312.db2.gz BOKMERMOJWRBIQ-SECBINFHSA-N 1 0 197.278 1.187 10 30 ADEERO CC(C)(C)OC(=O)C#C[C@@H]1CCC[NH2+]1 685952861 537834677 /nfs/dbraw/zinc/83/46/77/537834677.db2.gz FJQQWPOBCMZELI-VIFPVBQESA-N 1 0 195.262 1.084 10 30 ADEERO C[C@@H]([NH3+])CCC#CC(=O)OC(C)(C)C 685952808 537834827 /nfs/dbraw/zinc/83/48/27/537834827.db2.gz DFMZSXQIIUPSTO-SECBINFHSA-N 1 0 197.278 1.459 10 30 ADEERO C[C@H]([NH3+])CCC#CC(=O)OC(C)(C)C 685952809 537836172 /nfs/dbraw/zinc/83/61/72/537836172.db2.gz DFMZSXQIIUPSTO-VIFPVBQESA-N 1 0 197.278 1.459 10 30 ADEERO CC(C)[C@@H]([NH3+])C#CC(=O)OC(C)(C)C 685953092 537836231 /nfs/dbraw/zinc/83/62/31/537836231.db2.gz JLKQANACVCPWMO-VIFPVBQESA-N 1 0 197.278 1.315 10 30 ADEERO CC[C@](C)([NH3+])C#CC(=O)OC(C)(C)C 685952650 537836377 /nfs/dbraw/zinc/83/63/77/537836377.db2.gz BTLLUHFVMUMXCI-NSHDSACASA-N 1 0 197.278 1.459 10 30 ADEERO CC(C)(C)OC(=O)C#C[C@H]1CCC[NH2+]1 685952856 537836631 /nfs/dbraw/zinc/83/66/31/537836631.db2.gz FJQQWPOBCMZELI-SECBINFHSA-N 1 0 195.262 1.084 10 30 ADEERO C[NH2+]C[C@@H](C)C#CC(=O)OC(C)(C)C 685952638 537836684 /nfs/dbraw/zinc/83/66/84/537836684.db2.gz BOKMERMOJWRBIQ-VIFPVBQESA-N 1 0 197.278 1.187 10 30 ADEERO CC(C)[C@H]([NH3+])C#CC(=O)OC(C)(C)C 685953076 537837062 /nfs/dbraw/zinc/83/70/62/537837062.db2.gz JLKQANACVCPWMO-SECBINFHSA-N 1 0 197.278 1.315 10 30 ADEERO CC(C)([NH3+])CC#CC(=O)OC(C)(C)C 685952913 537838032 /nfs/dbraw/zinc/83/80/32/537838032.db2.gz GSKMFSGIFCKAME-UHFFFAOYSA-N 1 0 197.278 1.459 10 30 ADEERO CC(C)(C)OC(=O)C#CCCC[NH3+] 685953032 537838141 /nfs/dbraw/zinc/83/81/41/537838141.db2.gz IUMIMIXHOCDFLD-UHFFFAOYSA-N 1 0 183.251 1.070 10 30 ADEERO CC[C@@](C)([NH3+])C#CC(=O)OC(C)(C)C 685952642 537838260 /nfs/dbraw/zinc/83/82/60/537838260.db2.gz BTLLUHFVMUMXCI-LLVKDONJSA-N 1 0 197.278 1.459 10 30 ADEERO CC[C@@H]([NH3+])C#CC(=O)OC(C)(C)C 685953773 537839313 /nfs/dbraw/zinc/83/93/13/537839313.db2.gz PWDHROSDKCRPFS-MRVPVSSYSA-N 1 0 183.251 1.069 10 30 ADEERO CC[C@H]([NH3+])C#CC(=O)OC(C)(C)C 685953834 537841151 /nfs/dbraw/zinc/84/11/51/537841151.db2.gz PWDHROSDKCRPFS-QMMMGPOBSA-N 1 0 183.251 1.069 10 30 ADEERO CCOC(=O)C#C[C@H]1CCC(C)(C)[NH2+]1 685954287 537843329 /nfs/dbraw/zinc/84/33/29/537843329.db2.gz UWFJFIGKNFPOCK-VIFPVBQESA-N 1 0 195.262 1.084 10 30 ADEERO CC[NH2+][C@@H](C#CC(=O)OCC)C(C)C 685954055 537843383 /nfs/dbraw/zinc/84/33/83/537843383.db2.gz RVFOOWUJGWODGG-JTQLQIEISA-N 1 0 197.278 1.187 10 30 ADEERO CCOC(=O)C#C[C@@H]1CCCCC[NH2+]1 685953996 537843473 /nfs/dbraw/zinc/84/34/73/537843473.db2.gz RFAJRAVOTUUMMB-JTQLQIEISA-N 1 0 195.262 1.085 10 30 ADEERO CCOC(=O)C#C[C@H]1CCCCC[NH2+]1 685953997 537843795 /nfs/dbraw/zinc/84/37/95/537843795.db2.gz RFAJRAVOTUUMMB-SNVBAGLBSA-N 1 0 195.262 1.085 10 30 ADEERO CCC[C@H]([NH3+])C#CC(=O)OC(C)(C)C 685954269 537843879 /nfs/dbraw/zinc/84/38/79/537843879.db2.gz UEHOCTAUKZVOPP-VIFPVBQESA-N 1 0 197.278 1.459 10 30 ADEERO CCCC[C@H]([NH3+])C#CC(=O)OCC 685954291 537844329 /nfs/dbraw/zinc/84/43/29/537844329.db2.gz UXDZWQJNDQSEGC-VIFPVBQESA-N 1 0 183.251 1.070 10 30 ADEERO CCC[C@@H]([NH3+])C#CC(=O)OC(C)(C)C 685954268 537844577 /nfs/dbraw/zinc/84/45/77/537844577.db2.gz UEHOCTAUKZVOPP-SECBINFHSA-N 1 0 197.278 1.459 10 30 ADEERO CCOC(=O)C#C[C@@H]1CC[C@H](CC)[NH2+]1 685953950 537844889 /nfs/dbraw/zinc/84/48/89/537844889.db2.gz QVMIDPSLDCQDKL-UWVGGRQHSA-N 1 0 195.262 1.084 10 30 ADEERO CCCC[C@@H]([NH3+])C#CC(=O)OCC 685954290 537845223 /nfs/dbraw/zinc/84/52/23/537845223.db2.gz UXDZWQJNDQSEGC-SECBINFHSA-N 1 0 183.251 1.070 10 30 ADEERO CCOC(=O)C#C[C@@H]1CCC(C)(C)[NH2+]1 685954286 537845411 /nfs/dbraw/zinc/84/54/11/537845411.db2.gz UWFJFIGKNFPOCK-SECBINFHSA-N 1 0 195.262 1.084 10 30 ADEERO CC[NH2+][C@H](C#CC(=O)OCC)C(C)C 685954057 537845418 /nfs/dbraw/zinc/84/54/18/537845418.db2.gz RVFOOWUJGWODGG-SNVBAGLBSA-N 1 0 197.278 1.187 10 30 ADEERO CCOC(=O)C#C[C@H]1CC[C@@H](CC)[NH2+]1 685953948 537846201 /nfs/dbraw/zinc/84/62/01/537846201.db2.gz QVMIDPSLDCQDKL-NXEZZACHSA-N 1 0 195.262 1.084 10 30 ADEERO CCOC(=O)C#C[C@@H]1CC[C@@H](CC)[NH2+]1 685953952 537846223 /nfs/dbraw/zinc/84/62/23/537846223.db2.gz QVMIDPSLDCQDKL-ZJUUUORDSA-N 1 0 195.262 1.084 10 30 ADEERO CCOC(=O)C#C[C@H]1CC[C@H](CC)[NH2+]1 685953951 537846443 /nfs/dbraw/zinc/84/64/43/537846443.db2.gz QVMIDPSLDCQDKL-VHSXEESVSA-N 1 0 195.262 1.084 10 30 ADEERO C#C[C@@H]1CCC(C)(C)[NH2+]1 685954733 537847024 /nfs/dbraw/zinc/84/70/24/537847024.db2.gz SQEUICMLFVQOHF-SSDOTTSWSA-N 1 0 123.199 1.150 10 30 ADEERO C#C[C@H]1CCC(C)(C)[NH2+]1 685954734 537849384 /nfs/dbraw/zinc/84/93/84/537849384.db2.gz SQEUICMLFVQOHF-ZETCQYMHSA-N 1 0 123.199 1.150 10 30 ADEERO C#C[C@H]1CC[C@H](CC)[NH2+]1 685955693 537850771 /nfs/dbraw/zinc/85/07/71/537850771.db2.gz OSAXBRNUMRIWLK-YUMQZZPRSA-N 1 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10 30 ADEERO C=CC[C@@H](CO)[NH2+][C@@H](C)C1CCC1 379419299 538411627 /nfs/dbraw/zinc/41/16/27/538411627.db2.gz XVLKOALYJPCMRW-ONGXEEELSA-N 1 0 183.295 1.702 10 30 ADEERO C=CCCC[NH2+]Cc1ccnn1CC 379482816 538411689 /nfs/dbraw/zinc/41/16/89/538411689.db2.gz DCNJLKKMKQEXSK-UHFFFAOYSA-N 1 0 193.294 1.959 10 30 ADEERO C=CCOCC[NH2+][C@H](C)c1cn[nH]c1 379481785 538411694 /nfs/dbraw/zinc/41/16/94/538411694.db2.gz ALRPIORNSYLCRY-SECBINFHSA-N 1 0 195.266 1.263 10 30 ADEERO C=CCCC[NH2+]Cc1nccn1CC 379487094 538411840 /nfs/dbraw/zinc/41/18/40/538411840.db2.gz KITLBVQLYCMYRY-UHFFFAOYSA-N 1 0 193.294 1.959 10 30 ADEERO C=CCOCC[NH2+][C@@H]1CCOC[C@H]1C 379510440 538412611 /nfs/dbraw/zinc/41/26/11/538412611.db2.gz QXJUMNABIVRJQZ-GHMZBOCLSA-N 1 0 199.294 1.204 10 30 ADEERO C=CCOCC[NH2+][C@@H]1CCOC[C@@H]1C 379510447 538412976 /nfs/dbraw/zinc/41/29/76/538412976.db2.gz QXJUMNABIVRJQZ-WDEREUQCSA-N 1 0 199.294 1.204 10 30 ADEERO C=CCOCC[NH2+][C@H]1CCOC[C@H]1C 379510444 538413179 /nfs/dbraw/zinc/41/31/79/538413179.db2.gz QXJUMNABIVRJQZ-MNOVXSKESA-N 1 0 199.294 1.204 10 30 ADEERO C=CCCC[NH2+]Cc1ccc(CO)o1 379511961 538413545 /nfs/dbraw/zinc/41/35/45/538413545.db2.gz SVEBAUVJKYQKKY-UHFFFAOYSA-N 1 0 195.262 1.828 10 30 ADEERO C=CCOCC[NH2+][C@H]1CCOC[C@@H]1C 379510446 538413635 /nfs/dbraw/zinc/41/36/35/538413635.db2.gz QXJUMNABIVRJQZ-QWRGUYRKSA-N 1 0 199.294 1.204 10 30 ADEERO C=CCCC[NH2+][C@@H]1CCC(=O)N[C@@H]1C 379569875 538414539 /nfs/dbraw/zinc/41/45/39/538414539.db2.gz BRTLPABICRWOEX-NXEZZACHSA-N 1 0 196.294 1.209 10 30 ADEERO C=CCCC[NH2+][C@@H](C(=O)NC)C(C)C 379566431 538414547 /nfs/dbraw/zinc/41/45/47/538414547.db2.gz CPZABSYUSADDLO-SNVBAGLBSA-N 1 0 198.310 1.313 10 30 ADEERO C=CCCC[NH2+][C@@H]1CCC(=O)N[C@H]1C 379569879 538414737 /nfs/dbraw/zinc/41/47/37/538414737.db2.gz BRTLPABICRWOEX-VHSXEESVSA-N 1 0 196.294 1.209 10 30 ADEERO C=CCCC[NH2+][C@H]1CCC(=O)N[C@H]1C 379569877 538414755 /nfs/dbraw/zinc/41/47/55/538414755.db2.gz BRTLPABICRWOEX-UWVGGRQHSA-N 1 0 196.294 1.209 10 30 ADEERO C=CCCC[NH2+][C@H]1CCC(=O)N[C@@H]1C 379569892 538415273 /nfs/dbraw/zinc/41/52/73/538415273.db2.gz BRTLPABICRWOEX-ZJUUUORDSA-N 1 0 196.294 1.209 10 30 ADEERO C=CC[C@H](CO)C[NH2+]CC1(C)CCC1 379578313 538415887 /nfs/dbraw/zinc/41/58/87/538415887.db2.gz TYFFCMPTBGWZPK-NSHDSACASA-N 1 0 197.322 1.951 10 30 ADEERO C=CC[C@H](CO)[NH2+]Cc1cccn1C 379578078 538416633 /nfs/dbraw/zinc/41/66/33/538416633.db2.gz SMZTVSFISAYDEA-SNVBAGLBSA-N 1 0 194.278 1.052 10 30 ADEERO C=CCNC(=O)C[NH2+]CC1(C)CCC1 379571040 538416727 /nfs/dbraw/zinc/41/67/27/538416727.db2.gz DPENWXMRKFNLNK-UHFFFAOYSA-N 1 0 196.294 1.068 10 30 ADEERO C=CC[C@@H](CO)[NH2+]Cc1cccn1C 379578074 538416891 /nfs/dbraw/zinc/41/68/91/538416891.db2.gz SMZTVSFISAYDEA-JTQLQIEISA-N 1 0 194.278 1.052 10 30 ADEERO C=CC[C@@H](CO)C[NH2+]CC1(C)CCC1 379578312 538417213 /nfs/dbraw/zinc/41/72/13/538417213.db2.gz TYFFCMPTBGWZPK-LLVKDONJSA-N 1 0 197.322 1.951 10 30 ADEERO C=CC[NH2+][C@H](COC)C1CCOCC1 379585998 538419103 /nfs/dbraw/zinc/41/91/03/538419103.db2.gz QHMAFWUVMAHTPX-LLVKDONJSA-N 1 0 199.294 1.204 10 30 ADEERO C=CC[NH2+][C@@H](COC)C1CCOCC1 379586001 538419184 /nfs/dbraw/zinc/41/91/84/538419184.db2.gz QHMAFWUVMAHTPX-NSHDSACASA-N 1 0 199.294 1.204 10 30 ADEERO C=CC[C@H](CO)[NH2+]C1CC(C(C)C)C1 379621710 538423869 /nfs/dbraw/zinc/42/38/69/538423869.db2.gz GGJLQOCWFQCBGA-MOENNCHZSA-N 1 0 197.322 1.948 10 30 ADEERO C=C(C)COCC[NH2+]Cc1cn[nH]c1 379599235 538420325 /nfs/dbraw/zinc/42/03/25/538420325.db2.gz JAIXILBEJSPJHQ-UHFFFAOYSA-N 1 0 195.266 1.092 10 30 ADEERO C=C(CC)C[NH2+][C@@H](C(=O)NC)C(C)C 379599810 538421190 /nfs/dbraw/zinc/42/11/90/538421190.db2.gz KFACBJNNJHSPKK-SNVBAGLBSA-N 1 0 198.310 1.313 10 30 ADEERO C=CC[C@@H](CO)[NH2+]C1CC(OCC)C1 379609810 538421267 /nfs/dbraw/zinc/42/12/67/538421267.db2.gz SLXQUXVJEGGCOP-WHXUTIOJSA-N 1 0 199.294 1.081 10 30 ADEERO C=C(CC)C[NH2+][C@H](C(=O)NC)C(C)C 379599804 538421328 /nfs/dbraw/zinc/42/13/28/538421328.db2.gz KFACBJNNJHSPKK-JTQLQIEISA-N 1 0 198.310 1.313 10 30 ADEERO C=CCCOCC[NH2+]Cc1cn[nH]c1 379604910 538421804 /nfs/dbraw/zinc/42/18/04/538421804.db2.gz PLHCTMLGDOFXNO-UHFFFAOYSA-N 1 0 195.266 1.092 10 30 ADEERO C=CC[C@H](CO)[NH2+]C1CC(OCC)C1 379609809 538422187 /nfs/dbraw/zinc/42/21/87/538422187.db2.gz SLXQUXVJEGGCOP-KPPDAEKUSA-N 1 0 199.294 1.081 10 30 ADEERO C=CC[C@@H](CO)[NH2+]C1CC(C(C)C)C1 379621709 538422819 /nfs/dbraw/zinc/42/28/19/538422819.db2.gz GGJLQOCWFQCBGA-CXQJBGSLSA-N 1 0 197.322 1.948 10 30 ADEERO C=CC[C@H](CO)[NH2+][C@H](C)[C@@H]1CC1(C)C 379620104 538422928 /nfs/dbraw/zinc/42/29/28/538422928.db2.gz DIGNLBWDSZDYOK-MXWKQRLJSA-N 1 0 197.322 1.948 10 30 ADEERO C=CC[C@H](CO)[NH2+][C@@H](C)[C@@H]1CC1(C)C 379620098 538423107 /nfs/dbraw/zinc/42/31/07/538423107.db2.gz DIGNLBWDSZDYOK-AXFHLTTASA-N 1 0 197.322 1.948 10 30 ADEERO C=CC[C@H](CO)[NH2+][C@H](C)[C@@H]1CCCO1 379617215 538423134 /nfs/dbraw/zinc/42/31/34/538423134.db2.gz AFLIVGCMWIBGMZ-MXWKQRLJSA-N 1 0 199.294 1.081 10 30 ADEERO C=CC[C@H](CO)[NH2+][C@H](C)[C@H]1CCCO1 379617213 538423212 /nfs/dbraw/zinc/42/32/12/538423212.db2.gz AFLIVGCMWIBGMZ-GMTAPVOTSA-N 1 0 199.294 1.081 10 30 ADEERO C=CC[C@H](CO)[NH2+][C@H](C)[C@H]1CC1(C)C 379620099 538423309 /nfs/dbraw/zinc/42/33/09/538423309.db2.gz DIGNLBWDSZDYOK-GMTAPVOTSA-N 1 0 197.322 1.948 10 30 ADEERO C=CC[C@H](CO)[NH2+][C@@H](C)[C@@H]1CCCO1 379617212 538423699 /nfs/dbraw/zinc/42/36/99/538423699.db2.gz AFLIVGCMWIBGMZ-AXFHLTTASA-N 1 0 199.294 1.081 10 30 ADEERO C=CC[C@H](CO)[NH2+][C@@H](C)[C@H]1CCCO1 379617214 538423848 /nfs/dbraw/zinc/42/38/48/538423848.db2.gz AFLIVGCMWIBGMZ-HBNTYKKESA-N 1 0 199.294 1.081 10 30 ADEERO C=CC[C@H](CO)[NH2+][C@@H](C)[C@H]1CC1(C)C 379620101 538424098 /nfs/dbraw/zinc/42/40/98/538424098.db2.gz DIGNLBWDSZDYOK-HBNTYKKESA-N 1 0 197.322 1.948 10 30 ADEERO C=CC[C@@H](CO)[NH2+]C[C@H]1CC=CCC1 379629683 538424429 /nfs/dbraw/zinc/42/44/29/538424429.db2.gz MGGWGMDNDFQJHL-RYUDHWBXSA-N 1 0 195.306 1.869 10 30 ADEERO C=CCOCC[NH2+]CC1=CCCOC1 379631116 538424787 /nfs/dbraw/zinc/42/47/87/538424787.db2.gz NOVNXDDFSGKPCL-UHFFFAOYSA-N 1 0 197.278 1.125 10 30 ADEERO C=CC[C@H](CO)[NH2+]C[C@H]1CC=CCC1 379629681 538424932 /nfs/dbraw/zinc/42/49/32/538424932.db2.gz MGGWGMDNDFQJHL-NWDGAFQWSA-N 1 0 195.306 1.869 10 30 ADEERO C=CC[C@@H](CO)[NH2+]C[C@@H]1CC=CCC1 379629680 538424950 /nfs/dbraw/zinc/42/49/50/538424950.db2.gz MGGWGMDNDFQJHL-NEPJUHHUSA-N 1 0 195.306 1.869 10 30 ADEERO C=CC[C@H](CO)[NH2+]C[C@@H]1CC=CCC1 379629684 538425102 /nfs/dbraw/zinc/42/51/02/538425102.db2.gz MGGWGMDNDFQJHL-VXGBXAGGSA-N 1 0 195.306 1.869 10 30 ADEERO C=CCCC[NH2+]Cc1c(C)cnn1C 379650238 538426268 /nfs/dbraw/zinc/42/62/68/538426268.db2.gz DSZZJWAGNBUMKR-UHFFFAOYSA-N 1 0 193.294 1.784 10 30 ADEERO C=C(C)[C@H](CO)[NH2+][C@]1(C)CCO[C@@H]1C 379667877 538427303 /nfs/dbraw/zinc/42/73/03/538427303.db2.gz ZBMPWGXAYUAVPK-OUAUKWLOSA-N 1 0 199.294 1.081 10 30 ADEERO C=CC[C@H](CO)[NH2+]Cc1occc1C 379667901 538427246 /nfs/dbraw/zinc/42/72/46/538427246.db2.gz ZDKLLTHZNIOGMN-SNVBAGLBSA-N 1 0 195.262 1.615 10 30 ADEERO C=CC[C@@H](CO)[NH2+]Cc1occc1C 379667900 538427291 /nfs/dbraw/zinc/42/72/91/538427291.db2.gz ZDKLLTHZNIOGMN-JTQLQIEISA-N 1 0 195.262 1.615 10 30 ADEERO C=C(C)[C@H](CO)[NH2+][C@@]1(C)CCO[C@@H]1C 379667878 538427320 /nfs/dbraw/zinc/42/73/20/538427320.db2.gz ZBMPWGXAYUAVPK-VWYCJHECSA-N 1 0 199.294 1.081 10 30 ADEERO C=CCOCC[NH2+]C[C@H]1C[C@@H]1C 381847740 538427380 /nfs/dbraw/zinc/42/73/80/538427380.db2.gz IMBSQZNHMRNCCM-VHSXEESVSA-N 1 0 169.268 1.435 10 30 ADEERO C=CCC[NH2+][C@H](C)c1cn[nH]c1 381940961 538427458 /nfs/dbraw/zinc/42/74/58/538427458.db2.gz WFDKRQRTNFJOAM-MRVPVSSYSA-N 1 0 165.240 1.636 10 30 ADEERO C=CC[N@@H+](C)CCOCCCC 381895824 538427533 /nfs/dbraw/zinc/42/75/33/538427533.db2.gz AFIFZURWBSGEOT-UHFFFAOYSA-N 1 0 171.284 1.921 10 30 ADEERO C=CCC[NH2+][C@@H](C)c1cn[nH]c1 381940963 538427743 /nfs/dbraw/zinc/42/77/43/538427743.db2.gz WFDKRQRTNFJOAM-QMMMGPOBSA-N 1 0 165.240 1.636 10 30 ADEERO C=C(CC)C[N@H+](CC)CCOC 381901029 538427755 /nfs/dbraw/zinc/42/77/55/538427755.db2.gz CGLIINDEPXTCIA-UHFFFAOYSA-N 1 0 171.284 1.921 10 30 ADEERO C=CCOCC[NH2+]C[C@@H]1C[C@H]1C 381847741 538427964 /nfs/dbraw/zinc/42/79/64/538427964.db2.gz IMBSQZNHMRNCCM-ZJUUUORDSA-N 1 0 169.268 1.435 10 30 ADEERO C=CCOCC[NH2+][C@@H]1CCC1(C)C 381846302 538428010 /nfs/dbraw/zinc/42/80/10/538428010.db2.gz NRMCNKOBHAYKOR-SNVBAGLBSA-N 1 0 183.295 1.967 10 30 ADEERO C=CCOCC[NH2+]C[C@H]1C[C@H]1C 381847737 538428142 /nfs/dbraw/zinc/42/81/42/538428142.db2.gz IMBSQZNHMRNCCM-NXEZZACHSA-N 1 0 169.268 1.435 10 30 ADEERO C=CCOCC[NH2+]C[C@@H]1C[C@@H]1C 381847738 538428144 /nfs/dbraw/zinc/42/81/44/538428144.db2.gz IMBSQZNHMRNCCM-UWVGGRQHSA-N 1 0 169.268 1.435 10 30 ADEERO C=CCOCC[NH2+][C@H]1CCC1(C)C 381846298 538428270 /nfs/dbraw/zinc/42/82/70/538428270.db2.gz NRMCNKOBHAYKOR-JTQLQIEISA-N 1 0 183.295 1.967 10 30 ADEERO C=CC[C@@H](CO)[NH2+][C@@H](C)CC 388127780 538429399 /nfs/dbraw/zinc/42/93/99/538429399.db2.gz QTLOPTVBUPIVPY-IUCAKERBSA-N 1 0 157.257 1.312 10 30 ADEERO C=CCC[C@@H](CC)[NH2+][C@@H]1C[C@H]1CO 382244638 538428673 /nfs/dbraw/zinc/42/86/73/538428673.db2.gz SQEWHFZNAIGHTB-HBNTYKKESA-N 1 0 183.295 1.702 10 30 ADEERO C=CCC[N@@H+](C)[C@@H]1CCC[C@H]1O 382214411 538429074 /nfs/dbraw/zinc/42/90/74/538429074.db2.gz HRZDWDZNCXTGOA-NXEZZACHSA-N 1 0 169.268 1.408 10 30 ADEERO C=CC[C@H](CO)[NH2+][C@@H](C)CC 388127775 538429339 /nfs/dbraw/zinc/42/93/39/538429339.db2.gz QTLOPTVBUPIVPY-DTWKUNHWSA-N 1 0 157.257 1.312 10 30 ADEERO C=CC[C@@H](CO)[NH2+][C@H](C)CC 388127766 538429370 /nfs/dbraw/zinc/42/93/70/538429370.db2.gz QTLOPTVBUPIVPY-BDAKNGLRSA-N 1 0 157.257 1.312 10 30 ADEERO C=CC[C@H](CO)[NH2+][C@H](C)CC 388127788 538429723 /nfs/dbraw/zinc/42/97/23/538429723.db2.gz QTLOPTVBUPIVPY-RKDXNWHRSA-N 1 0 157.257 1.312 10 30 ADEERO C=C(CC)C[N@H+](C)CCOC 388145731 538429888 /nfs/dbraw/zinc/42/98/88/538429888.db2.gz HOBANSDHSIFJII-UHFFFAOYSA-N 1 0 157.257 1.531 10 30 ADEERO C=CC[C@@H](CO)[NH2+]Cc1ccco1 388264113 538430015 /nfs/dbraw/zinc/43/00/15/538430015.db2.gz BKCPOPHVZKGOEF-VIFPVBQESA-N 1 0 181.235 1.306 10 30 ADEERO C=CC[C@H](CO)[NH2+]Cc1ccco1 388264111 538430479 /nfs/dbraw/zinc/43/04/79/538430479.db2.gz BKCPOPHVZKGOEF-SECBINFHSA-N 1 0 181.235 1.306 10 30 ADEERO C=CC[C@@H](CO)[NH2+]C1CCCC1 388389153 538431661 /nfs/dbraw/zinc/43/16/61/538431661.db2.gz AUWIZHHJYWZZLA-JTQLQIEISA-N 1 0 169.268 1.456 10 30 ADEERO C=CC[NH+](CC=C)C[C@@H](C)OC 388399478 538431891 /nfs/dbraw/zinc/43/18/91/538431891.db2.gz LYUOLAOYNRHDPC-SNVBAGLBSA-N 1 0 169.268 1.695 10 30 ADEERO C=CC[C@H](CO)[NH2+]C1CCCC1 388389162 538431941 /nfs/dbraw/zinc/43/19/41/538431941.db2.gz AUWIZHHJYWZZLA-SNVBAGLBSA-N 1 0 169.268 1.456 10 30 ADEERO C=CCCN(C)Cc1ncc[nH]1 388391720 538431979 /nfs/dbraw/zinc/43/19/79/538431979.db2.gz CHTVDZGAWRBAAI-UHFFFAOYSA-N 1 0 165.240 1.418 10 30 ADEERO C=CC[NH+](CC=C)C[C@H](C)OC 388399477 538431982 /nfs/dbraw/zinc/43/19/82/538431982.db2.gz LYUOLAOYNRHDPC-JTQLQIEISA-N 1 0 169.268 1.695 10 30 ADEERO C=CC[N@H+]1CC=C(COC)CC1 388414916 538432087 /nfs/dbraw/zinc/43/20/87/538432087.db2.gz ALVMWDXRKYMALC-UHFFFAOYSA-N 1 0 167.252 1.451 10 30 ADEERO C=CC[NH2+][C@@H](CO)c1ccsc1 388414617 538432100 /nfs/dbraw/zinc/43/21/00/538432100.db2.gz DPBZPAAENHNBSE-VIFPVBQESA-N 1 0 183.276 1.557 10 30 ADEERO C=CCCC[NH2+]Cc1csnn1 388418647 538432516 /nfs/dbraw/zinc/43/25/16/538432516.db2.gz GMJFJSNGADKRKH-UHFFFAOYSA-N 1 0 183.280 1.594 10 30 ADEERO C=CC[NH2+][C@H](CO)c1ccsc1 388414615 538432262 /nfs/dbraw/zinc/43/22/62/538432262.db2.gz DPBZPAAENHNBSE-SECBINFHSA-N 1 0 183.276 1.557 10 30 ADEERO C=CC[C@H](CO)[NH2+]CC1(F)CC1 388412919 538432339 /nfs/dbraw/zinc/43/23/39/538432339.db2.gz YYXTWNVTZBWBHT-MRVPVSSYSA-N 1 0 173.231 1.015 10 30 ADEERO C=CCCC[NH2+]Cc1cocn1 388434414 538432401 /nfs/dbraw/zinc/43/24/01/538432401.db2.gz PBCJPUYTTLDJEO-UHFFFAOYSA-N 1 0 166.224 1.730 10 30 ADEERO C=CC[C@@H](CO)[NH2+]CC1(F)CC1 388412927 538432404 /nfs/dbraw/zinc/43/24/04/538432404.db2.gz YYXTWNVTZBWBHT-QMMMGPOBSA-N 1 0 173.231 1.015 10 30 ADEERO C=C(CC)C[N@H+](C)C1CC(O)C1 388489047 538432636 /nfs/dbraw/zinc/43/26/36/538432636.db2.gz FLYLOKHXUCZGAF-UHFFFAOYSA-N 1 0 169.268 1.408 10 30 ADEERO C=CCC[N@@H+](C)C[C@H](O)C1CC1 388488384 538432706 /nfs/dbraw/zinc/43/27/06/538432706.db2.gz DYUYGWMZVMCKLF-JTQLQIEISA-N 1 0 169.268 1.265 10 30 ADEERO C=CC[C@@H](CO)[NH2+]C1CC(C)C1 388485981 538432710 /nfs/dbraw/zinc/43/27/10/538432710.db2.gz ZWDKBQXFGLVDQM-KYHHOPLUSA-N 1 0 169.268 1.312 10 30 ADEERO C=CC[C@H](CO)[NH2+]C1CC(C)C1 388485979 538433057 /nfs/dbraw/zinc/43/30/57/538433057.db2.gz ZWDKBQXFGLVDQM-HWOCKDDLSA-N 1 0 169.268 1.312 10 30 ADEERO C=CC[C@H](CO)[NH2+][C@H]1CC[C@@H]1CC 388579652 538433119 /nfs/dbraw/zinc/43/31/19/538433119.db2.gz DFCWNFHLBMOEDW-AXFHLTTASA-N 1 0 183.295 1.702 10 30 ADEERO C=CC[C@H](CO)[NH2+][C@H]1CC[C@H]1CC 388579655 538433538 /nfs/dbraw/zinc/43/35/38/538433538.db2.gz DFCWNFHLBMOEDW-MXWKQRLJSA-N 1 0 183.295 1.702 10 30 ADEERO C=CC[N@@H+](CCOC)CC1(C)CC1 388582693 538433860 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MTDIVVOXFCNBEU-MRVPVSSYSA-N 1 0 125.215 1.705 10 30 ADEERO C=C(C)[C@H]([NH3+])[C@@H]1CCCO1 86057168 573242951 /nfs/dbraw/zinc/24/29/51/573242951.db2.gz BGBVWFXENYHYCZ-YUMQZZPRSA-N 1 0 141.214 1.069 10 30 ADEERO C=CC[C@H](C)[C@H]([NH2+]C)[C@H]1CCCN1C 715723455 573242997 /nfs/dbraw/zinc/24/29/97/573242997.db2.gz SEFXXASPGPHGAH-TUAOUCFPSA-N 1 0 196.338 1.881 10 30 ADEERO C=CCN(CC)C(=O)C[C@H]([NH3+])C(C)C 129161552 573243007 /nfs/dbraw/zinc/24/30/07/573243007.db2.gz RGKXXPBBJNRUFC-JTQLQIEISA-N 1 0 198.310 1.394 10 30 ADEERO C[NH+]1CCC(CC2(C#N)COC2)CC1 259044026 573243014 /nfs/dbraw/zinc/24/30/14/573243014.db2.gz DAFLQKNJMWXZKX-UHFFFAOYSA-N 1 0 194.278 1.258 10 30 ADEERO C#CCC[C@H]([NH2+]CC)[C@H]1C[C@H]1OCC 690028875 573243027 /nfs/dbraw/zinc/24/30/27/573243027.db2.gz IQCLKRCCGMDGSZ-GRYCIOLGSA-N 1 0 195.306 1.803 10 30 ADEERO C=CC[NH2+][C@H](c1nccn1C)C1CC1 308522030 573243375 /nfs/dbraw/zinc/24/33/75/573243375.db2.gz UEWRMEMOYVNXPV-JTQLQIEISA-N 1 0 191.278 1.647 10 30 ADEERO 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C=C[C@H]([NH3+])c1ccccc1N(C)C 238317259 573246708 /nfs/dbraw/zinc/24/67/08/573246708.db2.gz GHGJFEZUAQOJMH-JTQLQIEISA-N 1 0 176.263 1.938 10 30 ADEERO CC[C@H]([NH3+])c1ccc(OC)c(C#N)c1 238317147 573246730 /nfs/dbraw/zinc/24/67/30/573246730.db2.gz QMBCNMHFPUEHAV-JTQLQIEISA-N 1 0 190.246 1.977 10 30 ADEERO C=CC[C@@H](C)[C@@H](O)CCC[NH2+]C 715733900 573246849 /nfs/dbraw/zinc/24/68/49/573246849.db2.gz RZQBQPDOTCIGAX-ZJUUUORDSA-N 1 0 171.284 1.559 10 30 ADEERO C=CC[C@H](C)[C@@H](C)[NH2+][C@@H](C)C(=O)NC 308522998 573246946 /nfs/dbraw/zinc/24/69/46/573246946.db2.gz PPDSHZKXVZGJCM-AEJSXWLSSA-N 1 0 198.310 1.311 10 30 ADEERO C=CC[C@@H](C)[N@@H+]1CC[C@H](C(=O)OC)C1 715732574 573247057 /nfs/dbraw/zinc/24/70/57/573247057.db2.gz KJXSDUKUDYRXQU-ZJUUUORDSA-N 1 0 197.278 1.446 10 30 ADEERO C=CC[C@H](C)[N@@H+]1CC[C@@H](C(=O)OC)C1 715732572 573249192 /nfs/dbraw/zinc/24/91/92/573249192.db2.gz KJXSDUKUDYRXQU-VHSXEESVSA-N 1 0 197.278 1.446 10 30 ADEERO C#CC[C@H]([NH2+]C)C(C)(C)OC 86073499 573249251 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/nfs/dbraw/zinc/25/68/55/573256855.db2.gz SDXULFJXGYLCCQ-DTWKUNHWSA-N 1 0 171.284 1.752 10 30 ADEERO CC[C@H](C#N)C[NH2+][C@@H](C)CC 258612820 573256903 /nfs/dbraw/zinc/25/69/03/573256903.db2.gz INYLZWMWELCCIZ-DTWKUNHWSA-N 1 0 154.257 1.924 10 30 ADEERO C[NH+](C)C[C@@H]1CCCC[C@@H]1C=O 238319245 573256948 /nfs/dbraw/zinc/25/69/48/573256948.db2.gz BJPICSDEUZMCBN-VHSXEESVSA-N 1 0 169.268 1.553 10 30 ADEERO [NH3+]C[C@@H](S)C1CCCC1 259052638 573257067 /nfs/dbraw/zinc/25/70/67/573257067.db2.gz AVLKGUFEECKNDR-SSDOTTSWSA-N 1 0 145.271 1.434 10 30 ADEERO C[NH+](C)C[C@H]1C=CC(=O)CC1 238318976 573257119 /nfs/dbraw/zinc/25/71/19/573257119.db2.gz DKAAOEFFHLETGT-QMMMGPOBSA-N 1 0 153.225 1.083 10 30 ADEERO CC1=CC(=O)[C@H](C[NH+](C)C)CC1 238318992 573257157 /nfs/dbraw/zinc/25/71/57/573257157.db2.gz XDXUTPZTVKAUGL-VIFPVBQESA-N 1 0 167.252 1.473 10 30 ADEERO C=CCN1C[C@@H](C)[NH2+]C[C@@H]1C(C)C 223628189 573257175 /nfs/dbraw/zinc/25/71/75/573257175.db2.gz XXLMCTAHAJJJPI-GHMZBOCLSA-N 1 0 182.311 1.491 10 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/nfs/dbraw/zinc/42/33/19/573423319.db2.gz MZQQMZMLAFPDRO-IUCAKERBSA-N 1 0 164.252 1.773 10 30 ADEERO C[N@@H+]1CCC[C@@H](CC(F)(F)C=O)C1 257810773 573423570 /nfs/dbraw/zinc/42/35/70/573423570.db2.gz APOUCDDFJRDXNF-QMMMGPOBSA-N 1 0 191.221 1.553 10 30 ADEERO CCCCCCCC(=O)C[NH3+] 126209803 573436230 /nfs/dbraw/zinc/43/62/30/573436230.db2.gz IUGGPPCFRKABQM-UHFFFAOYSA-N 1 0 157.257 1.875 10 30 ADEERO C=C(CCO)C1CC[NH+](CC)CC1 258021315 573436284 /nfs/dbraw/zinc/43/62/84/573436284.db2.gz BPRHBHAGAAMCML-UHFFFAOYSA-N 1 0 183.295 1.657 10 30 ADEERO CCN1CCO[C@H](C(=O)C=C(C)C)C1 118859300 573436301 /nfs/dbraw/zinc/43/63/01/573436301.db2.gz DTXKDTXYYXBDDD-NSHDSACASA-N 1 0 197.278 1.242 10 30 ADEERO C[C@@H]1[NH2+]Cc2cc(C#N)ccc21 238395853 573436430 /nfs/dbraw/zinc/43/64/30/573436430.db2.gz DSFOGYFCVDMUNT-ZETCQYMHSA-N 1 0 158.204 1.722 10 30 ADEERO N#C[C@H]1CCC[C@@H]1[NH+]1CC=CC1 118879341 573436838 /nfs/dbraw/zinc/43/68/38/573436838.db2.gz KKEIVFOFAMVLNO-ZJUUUORDSA-N 1 0 162.236 1.550 10 30 ADEERO 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259050261 573250743 /nfs/dbraw/zinc/25/07/43/573250743.db2.gz ARRDLMSIFKXXEA-UHFFFAOYSA-N 1 0 194.278 1.258 10 30 ADEERO C=CC[C@H](C)[C@H](O)[C@H]1C[NH2+]C[C@@H]1C 715732145 573250266 /nfs/dbraw/zinc/25/02/66/573250266.db2.gz KYSLHVNWUOOGJC-NAKRPEOUSA-N 1 0 183.295 1.415 10 30 ADEERO C=C[C@@H]([NH2+]CCC)C(C)(C)OC 86074474 573250283 /nfs/dbraw/zinc/25/02/83/573250283.db2.gz CFNLBNNJMKFBNK-SECBINFHSA-N 1 0 171.284 1.966 10 30 ADEERO C#CC[NH2+][C@H](C)Cn1cnc(C)c1C 129177865 573250320 /nfs/dbraw/zinc/25/03/20/573250320.db2.gz AEPRFRQQOPOLPO-SECBINFHSA-N 1 0 191.278 1.111 10 30 ADEERO C[NH2+][C@@H](CCS)C(C)C 259051328 573250321 /nfs/dbraw/zinc/25/03/21/573250321.db2.gz GIRIXPTZVXMSLL-ZETCQYMHSA-N 1 0 147.287 1.550 10 30 ADEERO C=CC[C@@H](C)[C@@H](O)CC[NH2+]C1CC1 715733767 573250362 /nfs/dbraw/zinc/25/03/62/573250362.db2.gz RTHKGSFWJUMFRG-KOLCDFICSA-N 1 0 183.295 1.702 10 30 ADEERO COCCC[N@@H+]1C[C@H](C#N)CC1(C)C 259391876 573250479 /nfs/dbraw/zinc/25/04/79/573250479.db2.gz 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CC[C@@H](C#N)C[NH2+]CC1CCC1 259059727 573258701 /nfs/dbraw/zinc/25/87/01/573258701.db2.gz SRXDZRZENBJELT-VIFPVBQESA-N 1 0 166.268 1.926 10 30 ADEERO Cc1ccc(C[C@H](C#N)C[NH3+])s1 259398892 573259170 /nfs/dbraw/zinc/25/91/70/573259170.db2.gz BIENIOIJXOEVSC-QMMMGPOBSA-N 1 0 180.276 1.698 10 30 ADEERO C=CC[NH2+]CC(C)(C)C[C@@H](C)O 393621514 573259178 /nfs/dbraw/zinc/25/91/78/573259178.db2.gz RBZFVNNIYJALSG-SECBINFHSA-N 1 0 171.284 1.559 10 30 ADEERO N#Cc1cccc2c3c([nH]c12)C[NH2+]C3 259398858 573259203 /nfs/dbraw/zinc/25/92/03/573259203.db2.gz BFVIOBOQXKSORG-UHFFFAOYSA-N 1 0 183.214 1.643 10 30 ADEERO [NH3+]C[C@@H](CS)[C@@H]1CCSC1 257983533 573263188 /nfs/dbraw/zinc/26/31/88/573263188.db2.gz CTLAUBVUXHLHTG-RQJHMYQMSA-N 1 0 177.338 1.244 10 30 ADEERO CC#CCC[NH2+][C@@](C)(CO)C1CC1 308331502 573262426 /nfs/dbraw/zinc/26/24/26/573262426.db2.gz KUBPSNMIXITKBT-NSHDSACASA-N 1 0 181.279 1.150 10 30 ADEERO [NH3+]C[C@@H](CS)[C@H]1CCSC1 257983525 573262447 /nfs/dbraw/zinc/26/24/47/573262447.db2.gz 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573278014 /nfs/dbraw/zinc/27/80/14/573278014.db2.gz QZXWQSAWVPIJPJ-VHSXEESVSA-N 1 0 196.294 1.239 10 30 ADEERO CC[C@@H](C)O[NH+]=Cc1ccc(N)nc1 308534769 573290174 /nfs/dbraw/zinc/29/01/74/573290174.db2.gz SGSJUPLTQNEMIB-MRVPVSSYSA-N 1 0 193.250 1.813 10 30 ADEERO C=CC[N@@H+]1CC[C@@H](CO)C(C)(C)C1 259405829 573289610 /nfs/dbraw/zinc/28/96/10/573289610.db2.gz YEEPUJZQTOZTKQ-JTQLQIEISA-N 1 0 183.295 1.513 10 30 ADEERO C[NH+](C)C[C@@H]1C=CC(=O)CC1 238324591 573289633 /nfs/dbraw/zinc/28/96/33/573289633.db2.gz DKAAOEFFHLETGT-MRVPVSSYSA-N 1 0 153.225 1.083 10 30 ADEERO C=CCN1CC[NH2+]C2(CCCC2)C1 82926085 573289688 /nfs/dbraw/zinc/28/96/88/573289688.db2.gz WAYYSKZDYQJMOH-UHFFFAOYSA-N 1 0 180.295 1.390 10 30 ADEERO C=C(CO)C[C@H]1CC[N@@H+](CC)C1 258277986 573289712 /nfs/dbraw/zinc/28/97/12/573289712.db2.gz SJENCRBINHNEJO-SNVBAGLBSA-N 1 0 169.268 1.267 10 30 ADEERO C=C(CC[NH3+])C[C@@H]1CCOC1 258277850 573289796 /nfs/dbraw/zinc/28/97/96/573289796.db2.gz SHWDNMNEUZSFTR-VIFPVBQESA-N 1 0 155.241 1.318 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30 ADEERO CC[C@H](C)[NH2+]CCn1cc(C#N)cn1 308751849 573825656 /nfs/dbraw/zinc/82/56/56/573825656.db2.gz UTOOASSLQULJGG-VIFPVBQESA-N 1 0 192.266 1.143 10 30 ADEERO C=C(C)CNC(=O)CCC[NH+](C)C 308444443 573825708 /nfs/dbraw/zinc/82/57/08/573825708.db2.gz ASBXGMMGHKDCGO-UHFFFAOYSA-N 1 0 184.283 1.021 10 30 ADEERO CC(C)[C@@H](C[NH+](C)C)N[C@@H](C)C#N 43515455 573825845 /nfs/dbraw/zinc/82/58/45/573825845.db2.gz UJTHSVUSWXBPND-VHSXEESVSA-N 1 0 183.299 1.074 10 30 ADEERO C=CCN(CC)C(=O)[C@H]1CC[NH2+][C@@H]1C 131217887 573825909 /nfs/dbraw/zinc/82/59/09/573825909.db2.gz YOMGCWWRECPCEH-ZJUUUORDSA-N 1 0 196.294 1.019 10 30 ADEERO C=CC[C@H]([NH2+]C)c1ncnn1CCC 308445890 573827653 /nfs/dbraw/zinc/82/76/53/573827653.db2.gz AJJUQYWZUDQKRN-VIFPVBQESA-N 1 0 194.282 1.525 10 30 ADEERO C=CCN(CC)C(=O)[C@@H]1CC[NH2+][C@@H]1C 131217663 573827015 /nfs/dbraw/zinc/82/70/15/573827015.db2.gz YOMGCWWRECPCEH-NXEZZACHSA-N 1 0 196.294 1.019 10 30 ADEERO C=CC[C@H](C)OCC[NH2+]CC 715020487 573827027 /nfs/dbraw/zinc/82/70/27/573827027.db2.gz DFLRGXGTOOLPQI-VIFPVBQESA-N 1 0 157.257 1.577 10 30 ADEERO C[N@H+](CS)CC1CCCC1 258961422 573827157 /nfs/dbraw/zinc/82/71/57/573827157.db2.gz SWSWVBZGSYBMMT-UHFFFAOYSA-N 1 0 159.298 1.996 10 30 ADEERO C=CC[C@@H](C)[N@@H+](CC=C)CCO 715022351 573827175 /nfs/dbraw/zinc/82/71/75/573827175.db2.gz HSGTTXXCQXUJGM-SNVBAGLBSA-N 1 0 169.268 1.431 10 30 ADEERO Cc1nc(C[NH3+])cc(C(F)F)c1C#N 238524956 573827210 /nfs/dbraw/zinc/82/72/10/573827210.db2.gz SKAZWKMMNNYXGN-UHFFFAOYSA-N 1 0 197.188 1.658 10 30 ADEERO CC[C@@H](C)[NH2+]CCn1cc(C#N)cn1 308751846 573827264 /nfs/dbraw/zinc/82/72/64/573827264.db2.gz UTOOASSLQULJGG-SECBINFHSA-N 1 0 192.266 1.143 10 30 ADEERO C=CC[C@@H](C)OC1CC(C[NH2+]C)C1 715020475 573827323 /nfs/dbraw/zinc/82/73/23/573827323.db2.gz DEIVRUVUBBQABH-KPPDAEKUSA-N 1 0 183.295 1.966 10 30 ADEERO C=C(CO)[C@@H]1CCCC[N@H+]1CC 258149250 573827346 /nfs/dbraw/zinc/82/73/46/573827346.db2.gz KGNPZNHCXXHHDR-JTQLQIEISA-N 1 0 169.268 1.409 10 30 ADEERO C#CCCCC[NH2+][C@@H]1CCC[C@]1(C)O 308444945 573827410 /nfs/dbraw/zinc/82/74/10/573827410.db2.gz AVPSYUNOJLKDTN-NEPJUHHUSA-N 1 0 195.306 1.683 10 30 ADEERO C=CC[C@@H]([NH2+]C)c1ncnn1CCC 308445888 573827416 /nfs/dbraw/zinc/82/74/16/573827416.db2.gz AJJUQYWZUDQKRN-SECBINFHSA-N 1 0 194.282 1.525 10 30 ADEERO C=C[C@H]([NH3+])c1cccc(C(C)=O)n1 238147497 573830214 /nfs/dbraw/zinc/83/02/14/573830214.db2.gz WFZPHKGOQRHZIN-QMMMGPOBSA-N 1 0 176.219 1.470 10 30 ADEERO Cc1ccc2c[nH+]cn2c1C#N 238531172 573829480 /nfs/dbraw/zinc/82/94/80/573829480.db2.gz VHQYCOKHUSMINF-UHFFFAOYSA-N 1 0 157.176 1.514 10 30 ADEERO C=C(CO)[C@H]1CCC[N@@H+](CC)C1 258142852 573829750 /nfs/dbraw/zinc/82/97/50/573829750.db2.gz JWLVVLXLSCKMSE-JTQLQIEISA-N 1 0 169.268 1.267 10 30 ADEERO CC(C)(C)[N@@H+]1CC[C@@H]([C@@H](F)C=O)C1 257886263 573829803 /nfs/dbraw/zinc/82/98/03/573829803.db2.gz MQTLDAXLKQOHKV-BDAKNGLRSA-N 1 0 187.258 1.644 10 30 ADEERO [NH3+]CC#CC[C@@H]1CCCSC1 258144647 573830022 /nfs/dbraw/zinc/83/00/22/573830022.db2.gz JYWGCJHQCHUGFA-SECBINFHSA-N 1 0 169.293 1.482 10 30 ADEERO C#CCCCO[C@H]1CCC[C@@H]1[NH3+] 131415688 573830069 /nfs/dbraw/zinc/83/00/69/573830069.db2.gz KYGLBWZMSNOXIW-UWVGGRQHSA-N 1 0 167.252 1.296 10 30 ADEERO C=C(C[NH2+]C)C1CC1 258144590 573830089 /nfs/dbraw/zinc/83/00/89/573830089.db2.gz JYBKJIKGTHNNNG-UHFFFAOYSA-N 1 0 111.188 1.172 10 30 ADEERO [NH3+]CC#CC[C@H]1CCCSC1 258144649 573830149 /nfs/dbraw/zinc/83/01/49/573830149.db2.gz JYWGCJHQCHUGFA-VIFPVBQESA-N 1 0 169.293 1.482 10 30 ADEERO C=CC[C@@H]([NH3+])C(=O)N(CC=C)CCC 131223501 573830170 /nfs/dbraw/zinc/83/01/70/573830170.db2.gz LIIIVUGUBKIIIH-SNVBAGLBSA-N 1 0 196.294 1.314 10 30 ADEERO N#Cc1ccc2c(c1Cl)C[NH2+]C2 238531347 573830209 /nfs/dbraw/zinc/83/02/09/573830209.db2.gz HUQDZOWPZXPRTQ-UHFFFAOYSA-N 1 0 178.622 1.815 10 30 ADEERO CC[C@H](C#N)NCC[C@@H]1CCCO1 43540730 573835169 /nfs/dbraw/zinc/83/51/69/573835169.db2.gz RXLYOGUSKQOJPD-ZJUUUORDSA-N 1 0 182.267 1.447 10 30 ADEERO CC[C@@H](C#N)N[C@@H](C)Cn1ccnc1 43541157 573834573 /nfs/dbraw/zinc/83/45/73/573834573.db2.gz HAQMWNOHWGDELS-UWVGGRQHSA-N 1 0 192.266 1.163 10 30 ADEERO C=CC[C@H](C)[N@@H+]1CC[C@@H](C)[C@H]1CO 715023909 573834608 /nfs/dbraw/zinc/83/46/08/573834608.db2.gz MCEYPHUHSGJKKO-OUAUKWLOSA-N 1 0 183.295 1.654 10 30 ADEERO C=CC[N@H+](C)CCc1cccc(N)c1 131416852 573834669 /nfs/dbraw/zinc/83/46/69/573834669.db2.gz GIIWXUQKQBYRNU-UHFFFAOYSA-N 1 0 190.290 1.929 10 30 ADEERO CC[C@H](C#N)N[C@H](CO)CC(C)C 43540854 573834871 /nfs/dbraw/zinc/83/48/71/573834871.db2.gz RCPZCOPBEDUEBT-ZJUUUORDSA-N 1 0 184.283 1.285 10 30 ADEERO CC[C@@H](C#N)N[C@H](CO)CC(C)C 43540853 573835028 /nfs/dbraw/zinc/83/50/28/573835028.db2.gz RCPZCOPBEDUEBT-UWVGGRQHSA-N 1 0 184.283 1.285 10 30 ADEERO C=CC[NH2+]C[C@@H](C)N1CC[C@H](F)C1 689893279 573835040 /nfs/dbraw/zinc/83/50/40/573835040.db2.gz IOQUFXQRRGKFCY-ZJUUUORDSA-N 1 0 186.274 1.194 10 30 ADEERO C[C@H]([NH3+])C(=O)/C=C/c1ccccc1 6020019 573835104 /nfs/dbraw/zinc/83/51/04/573835104.db2.gz ARWKEKBMGMURNX-FLOXNTQESA-N 1 0 175.231 1.616 10 30 biogenic ADEERO C=C(C[C@H]1CCC[N@H+]1CC)C(=O)OC 258151601 573838481 /nfs/dbraw/zinc/83/84/81/573838481.db2.gz KJUOLVDHLLCWRM-SNVBAGLBSA-N 1 0 197.278 1.590 10 30 ADEERO C[C@@H]1CCC[C@](C=O)(C[NH+](C)C)C1 84345533 573838541 /nfs/dbraw/zinc/83/85/41/573838541.db2.gz XOMBUAJCVGVEHV-GHMZBOCLSA-N 1 0 183.295 1.943 10 30 ADEERO C=C(C)[C@@H]([NH2+]C)[C@]1(C)CCCO1 87228266 573838582 /nfs/dbraw/zinc/83/85/82/573838582.db2.gz SSIXNMQWRQLUFZ-ZJUUUORDSA-N 1 0 169.268 1.720 10 30 ADEERO C=C(C[NH+](C)C)C(=O)C(C)C 222717820 573838650 /nfs/dbraw/zinc/83/86/50/573838650.db2.gz ANPJVKNZIQYETQ-UHFFFAOYSA-N 1 0 155.241 1.329 10 30 ADEERO Cc1cc(C#N)c2c(c1)[C@H]([NH3+])CC2 238533873 573838659 /nfs/dbraw/zinc/83/86/59/573838659.db2.gz ZESFVFSCOPDDTO-LLVKDONJSA-N 1 0 172.231 1.813 10 30 ADEERO CC[C@H](C#N)Oc1ccc(C[NH3+])cc1 43538643 573838673 /nfs/dbraw/zinc/83/86/73/573838673.db2.gz ROLLPDXWKMWASR-SNVBAGLBSA-N 1 0 190.246 1.826 10 30 ADEERO C=CCCCNC(=O)[C@@H]([NH3+])[C@@H](C)CC 308448324 573839056 /nfs/dbraw/zinc/83/90/56/573839056.db2.gz AHGIIJCPMCYHHF-UWVGGRQHSA-N 1 0 198.310 1.442 10 30 ADEERO N#C[C@@H]1C[NH2+]C[C@H]1c1ccnc(F)c1 238534070 573841658 /nfs/dbraw/zinc/84/16/58/573841658.db2.gz UYLPJMIVVKCZDH-BDAKNGLRSA-N 1 0 191.209 1.047 10 30 ADEERO C=CCCOCC[NH2+][C@@H]1CC[C@@H]2C[C@@H]21 308449875 573841682 /nfs/dbraw/zinc/84/16/82/573841682.db2.gz BXITVAOZMKJTGI-GRYCIOLGSA-N 1 0 195.306 1.967 10 30 ADEERO C[C@@H]1CCC[C@H](CN=NC(N)=[NH2+])C1 84347866 573839921 /nfs/dbraw/zinc/83/99/21/573839921.db2.gz WDOVSWVRUJMDFG-QNENCBMDSA-N 1 0 182.271 1.282 10 30 ADEERO CC[C@@H](C#N)Oc1ccccc1C[NH3+] 43538644 573839996 /nfs/dbraw/zinc/83/99/96/573839996.db2.gz ICZGFIJDMMWUPY-JTQLQIEISA-N 1 0 190.246 1.826 10 30 ADEERO CCC[C@H](CCO)[NH2+][C@@H](CC)CC#N 716809690 573840039 /nfs/dbraw/zinc/84/00/39/573840039.db2.gz FZBFXIHJQOKINE-WDEREUQCSA-N 1 0 198.310 1.819 10 30 ADEERO C[N@@H+]1CCC[C@H]([C@@H]2C[C@@]2(C)C#N)C1 258968337 573840040 /nfs/dbraw/zinc/84/00/40/573840040.db2.gz HSWBWIGQCIDBTI-DCAQKATOSA-N 1 0 178.279 1.878 10 30 ADEERO C[C@H]1CCC[C@@](C=O)(C[NH+](C)C)C1 84345546 573840254 /nfs/dbraw/zinc/84/02/54/573840254.db2.gz XOMBUAJCVGVEHV-QWRGUYRKSA-N 1 0 183.295 1.943 10 30 ADEERO Cc1ccc2[nH]c(N)nc2c1C#N 238535602 573840354 /nfs/dbraw/zinc/84/03/54/573840354.db2.gz COPVYGRGYJPUSW-UHFFFAOYSA-N 1 0 172.191 1.325 10 30 ADEERO C=C(C)[C@H]([NH2+]CC)[C@H]1CCO[C@@H]1C 131427201 573840358 /nfs/dbraw/zinc/84/03/58/573840358.db2.gz BVPGFDICYIAFPB-VWYCJHECSA-N 1 0 183.295 1.966 10 30 ADEERO C=C(C)[C@H]([NH2+]CC)[C@@H]1CCO[C@@H]1C 131426741 573840469 /nfs/dbraw/zinc/84/04/69/573840469.db2.gz BVPGFDICYIAFPB-MXWKQRLJSA-N 1 0 183.295 1.966 10 30 ADEERO Cc1[nH]c([C@H]2CC[N@@H+](C)C2)cc1C#N 259209151 573840523 /nfs/dbraw/zinc/84/05/23/573840523.db2.gz NSIHHNFSIDHMNJ-VIFPVBQESA-N 1 0 189.262 1.614 10 30 ADEERO N#C[C@@H]1C[NH2+]C[C@@H]1c1ccnc(F)c1 238537358 573844018 /nfs/dbraw/zinc/84/40/18/573844018.db2.gz UYLPJMIVVKCZDH-RKDXNWHRSA-N 1 0 191.209 1.047 10 30 ADEERO N#CC1([C@H]([NH3+])C2CCOCC2)CC1 259209345 573844306 /nfs/dbraw/zinc/84/43/06/573844306.db2.gz DTDDVMWSSCBBRD-SECBINFHSA-N 1 0 180.251 1.044 10 30 ADEERO C[N@@H+]1CCC[C@H]([C@@H]2C[C@]2(C)C#N)C1 258968341 573844325 /nfs/dbraw/zinc/84/43/25/573844325.db2.gz HSWBWIGQCIDBTI-GARJFASQSA-N 1 0 178.279 1.878 10 30 ADEERO C=C[C@H]1CC[C@H](C(C)C)[NH2+]1 238159618 573844349 /nfs/dbraw/zinc/84/43/49/573844349.db2.gz XMSNIRCAVDJWBU-DTWKUNHWSA-N 1 0 139.242 1.949 10 30 ADEERO CC1(C)CC[N@H+](C[C@H]2CO2)C1 87252540 573844378 /nfs/dbraw/zinc/84/43/78/573844378.db2.gz BZJVJXWJDYLYLR-QMMMGPOBSA-N 1 0 155.241 1.117 10 30 ADEERO Cn1c(N)[nH+]c2c(CC#N)cccc21 238537117 573844406 /nfs/dbraw/zinc/84/44/06/573844406.db2.gz XSSLCTVEYQSVSZ-UHFFFAOYSA-N 1 0 186.218 1.222 10 30 ADEERO C=C(C)[C@H]([NH3+])CC[C@@H]1CCCO1 131355659 573845733 /nfs/dbraw/zinc/84/57/33/573845733.db2.gz QYQYKHIUFXUKRN-VHSXEESVSA-N 1 0 169.268 1.849 10 30 ADEERO N#Cc1ncc([C@H]2CCC[NH2+]2)cc1F 238535890 573844698 /nfs/dbraw/zinc/84/46/98/573844698.db2.gz HAQALWXKOZDLAT-SECBINFHSA-N 1 0 191.209 1.517 10 30 ADEERO C/C(=N\O)C(C)(C)[NH2+]C(C)C 238160375 573844701 /nfs/dbraw/zinc/84/47/01/573844701.db2.gz SAJMEQWZYZZZOJ-JXMROGBWSA-N 1 0 158.245 1.613 10 30 ADEERO C=C(CCO)CC1CC[NH+](C)CC1 258161249 573844702 /nfs/dbraw/zinc/84/47/02/573844702.db2.gz KWRGTDMTZUYXAQ-UHFFFAOYSA-N 1 0 183.295 1.657 10 30 ADEERO CCC[NH+]1CCN([C@H](C#N)CC)CC1 43556129 573845913 /nfs/dbraw/zinc/84/59/13/573845913.db2.gz XSPNQNDODVVMJI-NSHDSACASA-N 1 0 195.310 1.316 10 30 ADEERO C=CC[C@H]([NH3+])[C@@H]1COC(C)(C)O1 238174480 573845930 /nfs/dbraw/zinc/84/59/30/573845930.db2.gz RFQOLELRERQPGF-YUMQZZPRSA-N 1 0 171.240 1.041 10 30 ADEERO C#C[C@H](C)[NH2+]C(CN)(C(C)C)C(C)C 308451843 573845949 /nfs/dbraw/zinc/84/59/49/573845949.db2.gz COKSXONIOUBZDN-NSHDSACASA-N 1 0 196.338 1.607 10 30 ADEERO CCC1(C[NH2+]CCCC#N)COC1 308453273 573846129 /nfs/dbraw/zinc/84/61/29/573846129.db2.gz FFCYEEPZQORNQL-UHFFFAOYSA-N 1 0 182.267 1.306 10 30 ADEERO CC[C@@H](C#N)N(CC)C1CC[NH2+]CC1 43543447 573846352 /nfs/dbraw/zinc/84/63/52/573846352.db2.gz MNGUWHBNCFHATR-JTQLQIEISA-N 1 0 195.310 1.362 10 30 ADEERO C=C(C)[C@@H]([NH3+])CC[C@@H]1CCCO1 131355904 573846382 /nfs/dbraw/zinc/84/63/82/573846382.db2.gz QYQYKHIUFXUKRN-UWVGGRQHSA-N 1 0 169.268 1.849 10 30 ADEERO C=C(C)[C@H]([NH3+])CC[C@H]1CCCO1 131356110 573848932 /nfs/dbraw/zinc/84/89/32/573848932.db2.gz QYQYKHIUFXUKRN-NXEZZACHSA-N 1 0 169.268 1.849 10 30 ADEERO C[C@@H]1CC[N@H+](C)C[C@H](CC#N)C1 259574702 573849698 /nfs/dbraw/zinc/84/96/98/573849698.db2.gz JPDWIULSOZRZSN-NXEZZACHSA-N 1 0 166.268 1.878 10 30 ADEERO Cc1[nH]cc2c1[C@@]([NH3+])(CC#N)CCC2 84349322 573849240 /nfs/dbraw/zinc/84/92/40/573849240.db2.gz QKYGIKWAIXORBU-NSHDSACASA-N 1 0 189.262 1.727 10 30 ADEERO C=CCN(C(=O)[C@@H](C)C[NH3+])C(C)(C)C 131331755 573849412 /nfs/dbraw/zinc/84/94/12/573849412.db2.gz RHYPSLRCVVUXKY-VIFPVBQESA-N 1 0 198.310 1.394 10 30 ADEERO C=C(C)[C@H]1CN2CCC(C)(C)[NH+]=C2N1 238151568 573849486 /nfs/dbraw/zinc/84/94/86/573849486.db2.gz VDIOOVIMEUMCAG-SECBINFHSA-N 1 0 193.294 1.375 10 30 ADEERO Cc1cccc(OCC[NH3+])c1C#N 238539220 573849487 /nfs/dbraw/zinc/84/94/87/573849487.db2.gz QDKCZSQAAHLRCB-UHFFFAOYSA-N 1 0 176.219 1.204 10 30 ADEERO CC1(C)CC[N@H+](C[C@@H]2CO2)C1 87252538 573849514 /nfs/dbraw/zinc/84/95/14/573849514.db2.gz BZJVJXWJDYLYLR-MRVPVSSYSA-N 1 0 155.241 1.117 10 30 ADEERO C#CC(C)(C)[NH2+]C[C@H](O)C(C)(C)C 393565452 573851275 /nfs/dbraw/zinc/85/12/75/573851275.db2.gz JDJLLNROSOBMRT-VIFPVBQESA-N 1 0 183.295 1.395 10 30 ADEERO CCC1(CC)CCN(/C(N)=[NH+]/O)C1 87259108 573851296 /nfs/dbraw/zinc/85/12/96/573851296.db2.gz CQHDGYLVVLKDFC-UHFFFAOYSA-N 1 0 185.271 1.202 10 30 ADEERO C[C@H](C/C(N)=N/O)[N@@H+]1CCC(C)(C)C1 87254685 573851306 /nfs/dbraw/zinc/85/13/06/573851306.db2.gz HJCKKTRSVYJVNC-MRVPVSSYSA-N 1 0 199.298 1.243 10 30 ADEERO C=C(CC=O)C[NH+]1CCCCC1 258153896 573851352 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10 30 ADEERO C=CCCCC[NH+]1CC2(CN(C)C2)C1 1209207960 762289251 /nfs/dbraw/zinc/28/92/51/762289251.db2.gz IRHCLCVGUNASIJ-UHFFFAOYSA-N 1 0 194.322 1.590 10 30 ADEERO C=CCCCC[N@@H+]1C[C@@H]2C[C@H](C1)O2 1209205578 762289270 /nfs/dbraw/zinc/28/92/70/762289270.db2.gz ZQUOVFNUTWRRRB-PHIMTYICSA-N 1 0 181.279 1.816 10 30 ADEERO C=CCCCC[NH+]1CC2(CC(O)C2)C1 1209201555 762290203 /nfs/dbraw/zinc/29/02/03/762290203.db2.gz OBFKOYZKRSNRJH-UHFFFAOYSA-N 1 0 195.306 1.799 10 30 ADEERO C=CCCCC[N@@H+]1CCO[C@@H]2C[C@@H]21 1209207349 762290422 /nfs/dbraw/zinc/29/04/22/762290422.db2.gz USRRSUWYNFTUEU-WDEREUQCSA-N 1 0 181.279 1.816 10 30 ADEERO C=CCCCC[NH+]1CC(C(=O)OC)C1 1209201431 762290620 /nfs/dbraw/zinc/29/06/20/762290620.db2.gz LFZSELQTJIJMEH-UHFFFAOYSA-N 1 0 197.278 1.448 10 30 ADEERO C=CCCCC[NH+]1CC(C)(CO)C1 1209201896 762291173 /nfs/dbraw/zinc/29/11/73/762291173.db2.gz YIHYFWODIBHQPP-UHFFFAOYSA-N 1 0 183.295 1.657 10 30 ADEERO C=CCCCC[NH+]1CC(OC)C1 1209201545 762291768 /nfs/dbraw/zinc/29/17/68/762291768.db2.gz NZKDRCODJYWOJT-UHFFFAOYSA-N 1 0 169.268 1.673 10 30 ADEERO C=CCCCC[N@@H+](C)C1COC1 1209204996 762292131 /nfs/dbraw/zinc/29/21/31/762292131.db2.gz NWPFLINWBXYQOI-UHFFFAOYSA-N 1 0 169.268 1.673 10 30 ADEERO C=CCCCC[N@@H+]1CCO[C@H]2C[C@H]21 1209207347 762292180 /nfs/dbraw/zinc/29/21/80/762292180.db2.gz USRRSUWYNFTUEU-MNOVXSKESA-N 1 0 181.279 1.816 10 30 ADEERO COCCCC[NH+]1CC(CC#N)C1 1209214140 762295325 /nfs/dbraw/zinc/29/53/25/762295325.db2.gz LYLNEENFKJWYCT-UHFFFAOYSA-N 1 0 182.267 1.258 10 30 ADEERO C#CCCC[NH+]1CCC2(CC1)COC2 1209260653 762296837 /nfs/dbraw/zinc/29/68/37/762296837.db2.gz ADTCASPWBABQRI-UHFFFAOYSA-N 1 0 193.290 1.512 10 30 ADEERO C#CCCC[N@@H+]1CC[C@@H]2CCO[C@H]2C1 1209262681 762300007 /nfs/dbraw/zinc/30/00/07/762300007.db2.gz ZFCVZTVMIWZLLB-NEPJUHHUSA-N 1 0 193.290 1.511 10 30 ADEERO C#CCCC[N@@H+](C)CCC1OCCO1 1209266260 762300302 /nfs/dbraw/zinc/30/03/02/762300302.db2.gz IDCHSIWAPWDOKV-UHFFFAOYSA-N 1 0 197.278 1.095 10 30 ADEERO C#CCCC[N@@H+](C)C1(C)COC1 1209266135 762300377 /nfs/dbraw/zinc/30/03/77/762300377.db2.gz HDRBDKHKBCNZMX-UHFFFAOYSA-N 1 0 167.252 1.121 10 30 ADEERO C=CCN1CC[NH+](C[C@@H]2C[C@H]2C)CC1 1209420661 762308600 /nfs/dbraw/zinc/30/86/00/762308600.db2.gz KHDHUMDXDKMDIN-NEPJUHHUSA-N 1 0 194.322 1.446 10 30 ADEERO C=CCN1CC[NH+](C[C@H]2C[C@H]2C)CC1 1209420666 762308894 /nfs/dbraw/zinc/30/88/94/762308894.db2.gz KHDHUMDXDKMDIN-VXGBXAGGSA-N 1 0 194.322 1.446 10 30 ADEERO C=CCCCCCC[NH+]1CC(O)C1 1209431554 762311543 /nfs/dbraw/zinc/31/15/43/762311543.db2.gz PUXLUZQDMLTMPW-UHFFFAOYSA-N 1 0 183.295 1.799 10 30 ADEERO C=CCN(C)Cc1c[nH+]ccc1N 1209731946 762322201 /nfs/dbraw/zinc/32/22/01/762322201.db2.gz VPWWDDMDGFGXGX-UHFFFAOYSA-N 1 0 177.251 1.112 10 30 ADEERO C=CCC(CC=C)OCCC[NH3+] 1217804361 763890147 /nfs/dbraw/zinc/89/01/47/763890147.db2.gz XTKSKOADKUDBPD-UHFFFAOYSA-N 1 0 169.268 1.873 10 30 ADEERO C[Si](C)(C)C#CCO[C@H]1CC[NH2+]C1 1217821959 763892415 /nfs/dbraw/zinc/89/24/15/763892415.db2.gz AYPNWQWORCROLQ-JTQLQIEISA-N 1 0 197.354 1.246 10 30 ADEERO C=CCCCCO[C@H]1CC[NH2+]C1 1217822303 763893669 /nfs/dbraw/zinc/89/36/69/763893669.db2.gz IYECNNCSQDDCBR-JTQLQIEISA-N 1 0 169.268 1.721 10 30 ADEERO C=C(C)CNC(=O)[C@@H]([NH3+])CC1CCC1 1219879938 764006366 /nfs/dbraw/zinc/00/63/66/764006366.db2.gz RFAIXNQHHSMMMP-JTQLQIEISA-N 1 0 196.294 1.196 10 30 ADEERO C#C[C@@H](C)OC1CC[NH+](C)CC1 1222498555 764067525 /nfs/dbraw/zinc/06/75/25/764067525.db2.gz OCDUVVLAQXSWSG-SECBINFHSA-N 1 0 167.252 1.119 10 30 ADEERO C#C[C@H](C)OC1CC[NH+](C)CC1 1222498560 764068378 /nfs/dbraw/zinc/06/83/78/764068378.db2.gz OCDUVVLAQXSWSG-VIFPVBQESA-N 1 0 167.252 1.119 10 30 ADEERO C#C[C@@H](C)OCCC[NH+]1CCCC1 1224744580 764257059 /nfs/dbraw/zinc/25/70/59/764257059.db2.gz OMUMXBCLCWGYBX-LLVKDONJSA-N 1 0 181.279 1.511 10 30 ADEERO C#C[C@H](C)OCCC[NH+]1CCCC1 1224748354 764258397 /nfs/dbraw/zinc/25/83/97/764258397.db2.gz OMUMXBCLCWGYBX-NSHDSACASA-N 1 0 181.279 1.511 10 30 ADEERO C#C[C@H](C)OCC[NH+](CC)CC 1224926740 764276196 /nfs/dbraw/zinc/27/61/96/764276196.db2.gz ZYAJSJFAUDWZAF-JTQLQIEISA-N 1 0 169.268 1.367 10 30 ADEERO C#C[C@@H](C)OCC[NH+](CC)CC 1224926741 764277095 /nfs/dbraw/zinc/27/70/95/764277095.db2.gz ZYAJSJFAUDWZAF-SNVBAGLBSA-N 1 0 169.268 1.367 10 30 ADEERO C#C[C@H](CC)Oc1cc[nH+]c(N)c1 1226655782 764367131 /nfs/dbraw/zinc/36/71/31/764367131.db2.gz JEEGJDKYYQWHNE-MRVPVSSYSA-N 1 0 176.219 1.454 10 30 ADEERO C#C[C@H](Oc1cc[nH+]c(N)c1)C(C)C 1226654321 764367505 /nfs/dbraw/zinc/36/75/05/764367505.db2.gz XYAZFUORKGOVLJ-JTQLQIEISA-N 1 0 190.246 1.700 10 30 ADEERO C#C[C@@H](Oc1cc[nH+]c(N)c1)C(C)C 1226654325 764368761 /nfs/dbraw/zinc/36/87/61/764368761.db2.gz XYAZFUORKGOVLJ-SNVBAGLBSA-N 1 0 190.246 1.700 10 30 ADEERO C#C[C@H](CCC)Oc1cc[nH+]c(N)c1 1226656569 764369640 /nfs/dbraw/zinc/36/96/40/764369640.db2.gz LNFMEKRWDSUQMS-SECBINFHSA-N 1 0 190.246 1.845 10 30 ADEERO C#C[C@@H](CC)Oc1cc[nH+]c(N)c1 1226655783 764370079 /nfs/dbraw/zinc/37/00/79/764370079.db2.gz JEEGJDKYYQWHNE-QMMMGPOBSA-N 1 0 176.219 1.454 10 30 ADEERO C#C[C@@H](CCC)Oc1cc[nH+]c(N)c1 1226656573 764370424 /nfs/dbraw/zinc/37/04/24/764370424.db2.gz LNFMEKRWDSUQMS-VIFPVBQESA-N 1 0 190.246 1.845 10 30 ADEERO C#CC[N@@H+](C)Cc1ccccc1NC 1232673287 764545607 /nfs/dbraw/zinc/54/56/07/764545607.db2.gz XTVRTEZXMWPUEU-UHFFFAOYSA-N 1 0 188.274 1.793 10 30 ADEERO CC[NH+](CC)Cc1cc(C#N)ccn1 1232475345 764549407 /nfs/dbraw/zinc/54/94/07/764549407.db2.gz OEUQIPOEABWPPT-UHFFFAOYSA-N 1 0 189.262 1.795 10 30 ADEERO CCC[N@H+](C)Cc1cc(C#N)ccn1 1232474708 764550187 /nfs/dbraw/zinc/55/01/87/764550187.db2.gz IINFDPAFENRMJO-UHFFFAOYSA-N 1 0 189.262 1.795 10 30 ADEERO N#CCCN(CC[NH3+])C1CCCC1 1235664309 764604482 /nfs/dbraw/zinc/60/44/82/764604482.db2.gz QPDJZQGQKLNQQR-UHFFFAOYSA-N 1 0 181.283 1.103 10 30 ADEERO C=CCCCCN1C[C@H]2C[C@@]2([NH3+])C1 1236013466 764624053 /nfs/dbraw/zinc/62/40/53/764624053.db2.gz BHGLLGCMMFIKLC-GHMZBOCLSA-N 1 0 180.295 1.376 10 30 ADEERO C=CCCCCN1C[C@@H]2C[C@]2([NH3+])C1 1236013468 764624383 /nfs/dbraw/zinc/62/43/83/764624383.db2.gz BHGLLGCMMFIKLC-QWRGUYRKSA-N 1 0 180.295 1.376 10 30 ADEERO C=CCCCCN(C1CC1)C1C[NH2+]C1 1236063276 764631889 /nfs/dbraw/zinc/63/18/89/764631889.db2.gz SOMNSYAIENOLCW-UHFFFAOYSA-N 1 0 194.322 1.779 10 30 ADEERO C=CCN(CC[NH3+])C1CCCCC1 1236432642 764658185 /nfs/dbraw/zinc/65/81/85/764658185.db2.gz CDMGHYPOPAMFHG-UHFFFAOYSA-N 1 0 182.311 1.766 10 30 ADEERO C=C(C)c1cccc(C[NH3+])n1 1240832538 764899315 /nfs/dbraw/zinc/89/93/15/764899315.db2.gz YYEAEIARALTJGL-UHFFFAOYSA-N 1 0 148.209 1.573 10 30 ADEERO C=C(C)c1ncc(C)cc1C[NH3+] 1240833286 764902788 /nfs/dbraw/zinc/90/27/88/764902788.db2.gz MPQLIJLMEXKJES-UHFFFAOYSA-N 1 0 162.236 1.882 10 30 ADEERO CC[C@@H](CC#N)NCC[C@H](C)[NH3+] 1246303834 765239213 /nfs/dbraw/zinc/23/92/13/765239213.db2.gz JOISUAQYXNPJRE-IUCAKERBSA-N 1 0 169.272 1.006 10 30 ADEERO CC[C@H](CC#N)NCC[C@H](C)[NH3+] 1246303821 765242563 /nfs/dbraw/zinc/24/25/63/765242563.db2.gz JOISUAQYXNPJRE-DTWKUNHWSA-N 1 0 169.272 1.006 10 30 ADEERO C=CCN(C)[C@H]1CC[C@H](C)[NH2+]C1 1246830478 765318162 /nfs/dbraw/zinc/31/81/62/765318162.db2.gz BSNCFBPYKSAZDP-UWVGGRQHSA-N 1 0 168.284 1.245 10 30 ADEERO C=CCN(C)[C@@H]1CC[C@@H](C)[NH2+]C1 1246830471 765319416 /nfs/dbraw/zinc/31/94/16/765319416.db2.gz BSNCFBPYKSAZDP-NXEZZACHSA-N 1 0 168.284 1.245 10 30 ADEERO C=CCN(C)[C@@H]1CC[C@H](C)[NH2+]C1 1246830479 765319881 /nfs/dbraw/zinc/31/98/81/765319881.db2.gz BSNCFBPYKSAZDP-VHSXEESVSA-N 1 0 168.284 1.245 10 30 ADEERO C=CCN(C)[C@H]1CC[C@@H](C)[NH2+]C1 1246830480 765321257 /nfs/dbraw/zinc/32/12/57/765321257.db2.gz BSNCFBPYKSAZDP-ZJUUUORDSA-N 1 0 168.284 1.245 10 30 ADEERO C#CCc1cccc(C[NH+](C)C)c1 1249947975 765400856 /nfs/dbraw/zinc/40/08/56/765400856.db2.gz NQYXOIKILJXBIC-UHFFFAOYSA-N 1 0 173.259 1.924 10 30 ADEERO C#CC(CC)(CC)[NH2+]C[C@H](O)CC 1251751365 767083658 /nfs/dbraw/zinc/08/36/58/767083658.db2.gz XAUPSPSLQSHGGT-SNVBAGLBSA-N 1 0 183.295 1.539 10 30 ADEERO C#C[C@@H](C)[NH2+]C[C@H](O)CCCC 1252114100 767125134 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198.310 1.409 10 30 ADEERO C=CCCC[NH2+]C[C@@H](C)NC(=O)CC 1497775410 1170609548 /nfs/dbraw/zinc/60/95/48/1170609548.db2.gz ULKHPACUJMVCNM-SNVBAGLBSA-N 1 0 198.310 1.457 10 30 ADEERO C=CC[NH2+]C[C@H]1C[C@H](NC(=O)CC)C1 1506877738 1170609651 /nfs/dbraw/zinc/60/96/51/1170609651.db2.gz YGKOSYIEGBQFLB-MGCOHNPYSA-N 1 0 196.294 1.067 10 30 ADEERO C=CC(C)(C)NC(=O)C[C@H]1CC[NH2+]C1 1514581713 1170609878 /nfs/dbraw/zinc/60/98/78/1170609878.db2.gz MXKHWVLJLDLJKV-SECBINFHSA-N 1 0 196.294 1.067 10 30 ADEERO C=C(C)C[NH2+][C@@H](C)CN(C)C(=O)CC 1507040787 1170610035 /nfs/dbraw/zinc/61/00/35/1170610035.db2.gz KVQPWCCQFYNPTR-JTQLQIEISA-N 1 0 198.310 1.409 10 30 ADEERO C=CCCC[N@H+]1CC[C@H]1CNC(C)=O 1498908576 1170610058 /nfs/dbraw/zinc/61/00/58/1170610058.db2.gz YNPVQPDZIMLIBJ-NSHDSACASA-N 1 0 196.294 1.163 10 30 ADEERO C=CC(C)(C)NC(=O)[C@H](C)[C@H](C)[NH3+] 1514581118 1170610062 /nfs/dbraw/zinc/61/00/62/1170610062.db2.gz IFGFOILOKAGNNK-SFYZADRCSA-N 1 0 184.283 1.051 10 30 ADEERO 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1733856138 1170975644 /nfs/dbraw/zinc/97/56/44/1170975644.db2.gz NGZGSFYMAVSBJK-UHFFFAOYSA-N 1 0 196.294 1.163 10 30 ADEERO C=CC[NH2+][C@@H](C)[C@H]1CCN(C(C)=O)C1 1733521590 1170976020 /nfs/dbraw/zinc/97/60/20/1170976020.db2.gz MQQMBCVPRSNKIR-ONGXEEELSA-N 1 0 196.294 1.019 10 30 ADEERO C=CC[NH2+][C@H](C)[C@H]1CCN(C(C)=O)C1 1733521588 1170976136 /nfs/dbraw/zinc/97/61/36/1170976136.db2.gz MQQMBCVPRSNKIR-KOLCDFICSA-N 1 0 196.294 1.019 10 30 ADEERO C=CC[NH2+][C@@H](C)[C@@H]1CCN(C(C)=O)C1 1733521587 1170976167 /nfs/dbraw/zinc/97/61/67/1170976167.db2.gz MQQMBCVPRSNKIR-GXSJLCMTSA-N 1 0 196.294 1.019 10 30 ADEERO C=CC[NH2+][C@H](C)[C@@H]1CCN(C(C)=O)C1 1733521589 1170976692 /nfs/dbraw/zinc/97/66/92/1170976692.db2.gz MQQMBCVPRSNKIR-MWLCHTKSSA-N 1 0 196.294 1.019 10 30 ADEERO C=CCCC(=O)N(C)C[C@@H](C)[NH2+]CC 1734318268 1170976882 /nfs/dbraw/zinc/97/68/82/1170976882.db2.gz VWPZEEHQLCIZQF-SNVBAGLBSA-N 1 0 198.310 1.409 10 30 ADEERO C=CCCC(=O)N(C)C[C@H](C)[NH2+]CC 1734318267 1170977257 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CCC(C)(C)[NH2+]CCC/C(N)=N/O 70603703 571682773 /nfs/dbraw/zinc/68/27/73/571682773.db2.gz YGRFYFJPMNATRH-UHFFFAOYSA-N 1 0 187.287 1.291 10 30 ADEERO CC(C)[C@H](C)[NH2+]CCC/C(N)=N/O 70603533 571682830 /nfs/dbraw/zinc/68/28/30/571682830.db2.gz SQMMXFQSRVKAOM-QMMMGPOBSA-N 1 0 187.287 1.147 10 30 ADEERO C[NH+]1CCC([C@H](C#N)C2CC2)CC1 213932830 571682931 /nfs/dbraw/zinc/68/29/31/571682931.db2.gz XMINOPTXVFBSGD-LLVKDONJSA-N 1 0 178.279 1.878 10 30 ADEERO CCC(CC)[NH2+][C@H](C)C/C(N)=N/O 70603792 571683744 /nfs/dbraw/zinc/68/37/44/571683744.db2.gz BJBPXOZTFTYEKE-SSDOTTSWSA-N 1 0 187.287 1.290 10 30 ADEERO C[C@H](C/C(N)=N/O)[NH2+]C1CCCC1 70603779 571682971 /nfs/dbraw/zinc/68/29/71/571682971.db2.gz RDOHTRVZNBXANI-SSDOTTSWSA-N 1 0 185.271 1.044 10 30 ADEERO C=CC[NH2+]C[C@H](C)N(C)[C@H](C)CC 53489789 571682974 /nfs/dbraw/zinc/68/29/74/571682974.db2.gz IAEWBRNJGRTALL-MNOVXSKESA-N 1 0 184.327 1.881 10 30 ADEERO C[C@@H](C/C(N)=N/O)[NH2+]C1CCCC1 70603778 571683063 /nfs/dbraw/zinc/68/30/63/571683063.db2.gz RDOHTRVZNBXANI-ZETCQYMHSA-N 1 0 185.271 1.044 10 30 ADEERO CC(C)CC[NH2+]C[C@@H](C)/C(N)=N/O 70604139 571683020 /nfs/dbraw/zinc/68/30/20/571683020.db2.gz UGOKPTXBFBDQAT-MRVPVSSYSA-N 1 0 187.287 1.005 10 30 ADEERO C[C@@H](C[NH2+]CC1CCCC1)/C(N)=N/O 70605177 571683119 /nfs/dbraw/zinc/68/31/19/571683119.db2.gz NKRJHVMBDODARD-QMMMGPOBSA-N 1 0 199.298 1.149 10 30 ADEERO CC[C@H](C)[NH2+][C@H](CC)C/C(N)=N/O 70603742 571683121 /nfs/dbraw/zinc/68/31/21/571683121.db2.gz IRBJHJGHJUGRGV-JGVFFNPUSA-N 1 0 187.287 1.290 10 30 ADEERO COCCNC(CC1CCCC1)=[NH+]N 53293629 571683125 /nfs/dbraw/zinc/68/31/25/571683125.db2.gz HGDDQIGMXREMEO-UHFFFAOYSA-N 1 0 199.298 1.075 10 30 ADEERO CC(C)[C@H](C)[NH2+][C@H](C)C/C(N)=N/O 70603521 571683131 /nfs/dbraw/zinc/68/31/31/571683131.db2.gz CZAFHJYGFRSBPK-SFYZADRCSA-N 1 0 187.287 1.146 10 30 ADEERO C#CCNCC[N@H+]1CC[C@@H](C)C[C@H]1C 53387324 571683137 /nfs/dbraw/zinc/68/31/37/571683137.db2.gz PZMRQMBOIHGVAJ-VXGBXAGGSA-N 1 0 194.322 1.330 10 30 ADEERO CCC(C)(C)[NH2+][C@@H](C)C/C(N)=N/O 70603696 571683178 /nfs/dbraw/zinc/68/31/78/571683178.db2.gz RNGHKBCCMCSGCG-ZETCQYMHSA-N 1 0 187.287 1.290 10 30 ADEERO CC[C@@H](C/C(N)=N/O)[NH2+]C1CCCC1 70603781 571683183 /nfs/dbraw/zinc/68/31/83/571683183.db2.gz FMHKITIOURYLGY-QMMMGPOBSA-N 1 0 199.298 1.434 10 30 ADEERO CCC[C@H](C)[NH2+][C@@H](CC)/C(N)=N/O 70603943 571683225 /nfs/dbraw/zinc/68/32/25/571683225.db2.gz NIVHIMYICCWGNX-YUMQZZPRSA-N 1 0 187.287 1.290 10 30 ADEERO CC(C)C[C@@H](C)[NH2+]CC/C(N)=N/O 70605112 571683232 /nfs/dbraw/zinc/68/32/32/571683232.db2.gz OBHNTCRTKFCSGM-MRVPVSSYSA-N 1 0 187.287 1.147 10 30 ADEERO C[C@H](C/C(N)=N/O)[NH2+]C1CCCCC1 70603672 571683244 /nfs/dbraw/zinc/68/32/44/571683244.db2.gz NJTNDYSDIZDGEE-MRVPVSSYSA-N 1 0 199.298 1.434 10 30 ADEERO C#CCNC[C@H](C)[N@@H+]1CCC[C@H](C)C1 53486474 571683263 /nfs/dbraw/zinc/68/32/63/571683263.db2.gz VWJOKSMXYGXAKO-RYUDHWBXSA-N 1 0 194.322 1.330 10 30 ADEERO C[NH+]1CCC([C@@H](C#N)C2CC2)CC1 213932766 571683265 /nfs/dbraw/zinc/68/32/65/571683265.db2.gz XMINOPTXVFBSGD-NSHDSACASA-N 1 0 178.279 1.878 10 30 ADEERO CC(C)CC[NH2+][C@H](C)C/C(N)=N/O 70604142 571683276 /nfs/dbraw/zinc/68/32/76/571683276.db2.gz CJVYDEYWRJUPCN-MRVPVSSYSA-N 1 0 187.287 1.147 10 30 ADEERO CCC(C)(C)[NH2+]C[C@H](C)/C(N)=N/O 70603695 571683284 /nfs/dbraw/zinc/68/32/84/571683284.db2.gz QBBNOFDIHNKLQA-ZETCQYMHSA-N 1 0 187.287 1.147 10 30 ADEERO CCC[C@@H](C)[NH2+][C@H](C)C/C(N)=N/O 70603934 571683320 /nfs/dbraw/zinc/68/33/20/571683320.db2.gz SKSDQFBFLYFQQJ-HTQZYQBOSA-N 1 0 187.287 1.290 10 30 ADEERO CC(C)CC[NH2+][C@@H](C)C/C(N)=N/O 70604141 571683375 /nfs/dbraw/zinc/68/33/75/571683375.db2.gz CJVYDEYWRJUPCN-QMMMGPOBSA-N 1 0 187.287 1.147 10 30 ADEERO N/C(CCCC[NH2+]C1CCCC1)=N/O 70603780 571683378 /nfs/dbraw/zinc/68/33/78/571683378.db2.gz GGFMWVUBZBDHSA-UHFFFAOYSA-N 1 0 199.298 1.435 10 30 ADEERO C[N@@H+]1CCC[C@H]([C@@H](C#N)C2CC2)C1 213932918 571683382 /nfs/dbraw/zinc/68/33/82/571683382.db2.gz AWPFXUTYGJOWJB-QWRGUYRKSA-N 1 0 178.279 1.878 10 30 ADEERO C[C@H](C[NH2+]C1CCCCC1)/C(N)=N/O 70603670 571683392 /nfs/dbraw/zinc/68/33/92/571683392.db2.gz JBMHNDIZFVEYDR-MRVPVSSYSA-N 1 0 199.298 1.291 10 30 ADEERO C[N@@H+]1CC[C@@H]([C@@H](C#N)C2CCC2)C1 213933130 571683406 /nfs/dbraw/zinc/68/34/06/571683406.db2.gz XYEVFNVQYPREQL-MNOVXSKESA-N 1 0 178.279 1.878 10 30 ADEERO CC(C)[C@H](C)[NH2+]C[C@H](C)/C(N)=N/O 70603517 571683411 /nfs/dbraw/zinc/68/34/11/571683411.db2.gz INHARZORPLWFHY-YUMQZZPRSA-N 1 0 187.287 1.003 10 30 ADEERO CC[C@H]([NH2+]C(C)(C)CC)/C(N)=N/O 70603701 571683427 /nfs/dbraw/zinc/68/34/27/571683427.db2.gz KOUUWJWCVZAUOB-ZETCQYMHSA-N 1 0 187.287 1.290 10 30 ADEERO CCC[C@@H](C)[NH2+][C@@H](C)C/C(N)=N/O 70603932 571683450 /nfs/dbraw/zinc/68/34/50/571683450.db2.gz SKSDQFBFLYFQQJ-SFYZADRCSA-N 1 0 187.287 1.290 10 30 ADEERO C[C@H]([NH2+]CC1CCCCC1)/C(N)=N/O 70605215 571683486 /nfs/dbraw/zinc/68/34/86/571683486.db2.gz XOFHNRLEQLWHSD-QMMMGPOBSA-N 1 0 199.298 1.291 10 30 ADEERO CC[C@@H]([NH2+]C1CCCC1)/C(N)=N/O 70603784 571683499 /nfs/dbraw/zinc/68/34/99/571683499.db2.gz RAHHUBKIOGYZMV-MRVPVSSYSA-N 1 0 185.271 1.044 10 30 ADEERO CC(C)C[C@@H](C)[NH2+][C@@H](C)/C(N)=N/O 70605136 571683519 /nfs/dbraw/zinc/68/35/19/571683519.db2.gz PHUDNDRANLMZOX-SFYZADRCSA-N 1 0 187.287 1.146 10 30 ADEERO C#CCNC[C@H](C)[N@@H+](C)C[C@H](C)CC 53490574 571683534 /nfs/dbraw/zinc/68/35/34/571683534.db2.gz OUFZVLLESLFCFY-NEPJUHHUSA-N 1 0 196.338 1.576 10 30 ADEERO CC[C@@H](C)[NH2+]CCCC/C(N)=N/O 70603733 571683573 /nfs/dbraw/zinc/68/35/73/571683573.db2.gz JZULFNIBEAJIOW-MRVPVSSYSA-N 1 0 187.287 1.291 10 30 ADEERO CCC(CC)[NH2+][C@H](CC)/C(N)=N/O 70603797 571683585 /nfs/dbraw/zinc/68/35/85/571683585.db2.gz FNGJQDDBJMEGAT-MRVPVSSYSA-N 1 0 187.287 1.290 10 30 ADEERO CC[C@H]([NH2+]CC1CCCC1)/C(N)=N/O 70605185 571683616 /nfs/dbraw/zinc/68/36/16/571683616.db2.gz KFCHLLRTCXZOGA-VIFPVBQESA-N 1 0 199.298 1.291 10 30 ADEERO C[C@H]1CCC[C@H]([NH2+]CC/C(N)=N/O)C1 70605141 571683675 /nfs/dbraw/zinc/68/36/75/571683675.db2.gz FMRLZVNDXADDIX-IUCAKERBSA-N 1 0 199.298 1.291 10 30 ADEERO CCC(CC)[NH2+][C@@H](CC)/C(N)=N/O 70603796 571683698 /nfs/dbraw/zinc/68/36/98/571683698.db2.gz FNGJQDDBJMEGAT-QMMMGPOBSA-N 1 0 187.287 1.290 10 30 ADEERO CCCCC[NH2+][C@H](C)C/C(N)=N/O 70603895 571683703 /nfs/dbraw/zinc/68/37/03/571683703.db2.gz SEVNUXALASLKIS-MRVPVSSYSA-N 1 0 187.287 1.291 10 30 ADEERO CC[C@H](C/C(N)=N/O)[NH2+][C@@H](C)C1CC1 70605486 571683706 /nfs/dbraw/zinc/68/37/06/571683706.db2.gz MWNYKPAZRVNTGU-IONNQARKSA-N 1 0 199.298 1.290 10 30 ADEERO CC(C)[C@@H](C)[NH2+]C[C@@H](C)/C(N)=N/O 70603514 571683725 /nfs/dbraw/zinc/68/37/25/571683725.db2.gz INHARZORPLWFHY-HTQZYQBOSA-N 1 0 187.287 1.003 10 30 ADEERO C[C@@H]([NH2+]CCCC/C(N)=N/O)C1CC1 70605482 571683731 /nfs/dbraw/zinc/68/37/31/571683731.db2.gz BEOKNQZKAICDLS-MRVPVSSYSA-N 1 0 199.298 1.291 10 30 ADEERO N/C(CCC[NH2+]CC1CCCC1)=N/O 70605187 571683752 /nfs/dbraw/zinc/68/37/52/571683752.db2.gz KDLNCKZCXWNECM-UHFFFAOYSA-N 1 0 199.298 1.293 10 30 ADEERO CC[C@@H](C/C(N)=N/O)[NH2+][C@@H](C)C1CC1 70605485 571683760 /nfs/dbraw/zinc/68/37/60/571683760.db2.gz MWNYKPAZRVNTGU-CBAPKCEASA-N 1 0 199.298 1.290 10 30 ADEERO CCCCC[NH2+]C[C@@H](C)/C(N)=N/O 70603892 571683787 /nfs/dbraw/zinc/68/37/87/571683787.db2.gz GPIWZXIRMNDTPI-MRVPVSSYSA-N 1 0 187.287 1.149 10 30 ADEERO C[C@H]1CCC[C@@H]([NH2+]CC/C(N)=N/O)C1 70605143 571683797 /nfs/dbraw/zinc/68/37/97/571683797.db2.gz FMRLZVNDXADDIX-DTWKUNHWSA-N 1 0 199.298 1.291 10 30 ADEERO C#CCNC[C@H](C)[N@@H+]1CCC[C@H]1C 53448107 571683974 /nfs/dbraw/zinc/68/39/74/571683974.db2.gz CPAVAIAHJWXRTL-MNOVXSKESA-N 1 0 180.295 1.082 10 30 ADEERO CC[C@@H]([NH2+]CC/C(N)=N/O)C(C)C 70607923 571684085 /nfs/dbraw/zinc/68/40/85/571684085.db2.gz XVEWMCNAFADCDZ-MRVPVSSYSA-N 1 0 187.287 1.147 10 30 ADEERO C[C@@H](C/C(N)=N/O)[NH2+]C1(C)CCCC1 70607661 571684106 /nfs/dbraw/zinc/68/41/06/571684106.db2.gz JJOPYFNQXYKVJY-QMMMGPOBSA-N 1 0 199.298 1.434 10 30 ADEERO CC[C@H](CC1CC1)[NH2+][C@H](C)/C(N)=N/O 70606951 571684129 /nfs/dbraw/zinc/68/41/29/571684129.db2.gz BHILVURVEBNVSY-VXNVDRBHSA-N 1 0 199.298 1.290 10 30 ADEERO C[C@H]([NH2+]C/C(N)=N/O)C1CCCCC1 70606467 571684183 /nfs/dbraw/zinc/68/41/83/571684183.db2.gz FFWFGSZYWNODCP-QMMMGPOBSA-N 1 0 199.298 1.291 10 30 ADEERO CC[C@@H](C/C(N)=N/O)[NH2+][C@@H]1CC1(C)C 70607908 571684215 /nfs/dbraw/zinc/68/42/15/571684215.db2.gz CGTHXTQPZISLEB-JGVFFNPUSA-N 1 0 199.298 1.290 10 30 ADEERO C[C@@H]1CCCC[C@H]1C[NH2+]C/C(N)=N/O 70607687 571684223 /nfs/dbraw/zinc/68/42/23/571684223.db2.gz XOCLOZCFNZKDHY-BDAKNGLRSA-N 1 0 199.298 1.149 10 30 ADEERO C[NH+]1CC([C@@H](C#N)C2CCCC2)C1 213933224 571684224 /nfs/dbraw/zinc/68/42/24/571684224.db2.gz USJHSJHJUBXUBR-NSHDSACASA-N 1 0 178.279 1.878 10 30 ADEERO CC[C@@H](C/C(N)=N/O)[NH2+][C@H]1CC1(C)C 70607910 571684232 /nfs/dbraw/zinc/68/42/32/571684232.db2.gz CGTHXTQPZISLEB-YUMQZZPRSA-N 1 0 199.298 1.290 10 30 ADEERO C[C@@H]1CCCC[C@@H]1C[NH2+]C/C(N)=N/O 70607685 571684238 /nfs/dbraw/zinc/68/42/38/571684238.db2.gz XOCLOZCFNZKDHY-RKDXNWHRSA-N 1 0 199.298 1.149 10 30 ADEERO C[C@H](CC1CC1)[NH2+]CCC/C(N)=N/O 70606687 571684242 /nfs/dbraw/zinc/68/42/42/571684242.db2.gz NTSSNCYOGDAVNM-MRVPVSSYSA-N 1 0 199.298 1.291 10 30 ADEERO CCC(CC)[C@H](C)[NH2+]C/C(N)=N/O 70606522 571684265 /nfs/dbraw/zinc/68/42/65/571684265.db2.gz KQNGRGAWJOEAMC-ZETCQYMHSA-N 1 0 187.287 1.147 10 30 ADEERO CCC[C@@H](CC)[NH2+]CC/C(N)=N/O 70605974 571684272 /nfs/dbraw/zinc/68/42/72/571684272.db2.gz MTXCKJOHTACSDC-MRVPVSSYSA-N 1 0 187.287 1.291 10 30 ADEERO CC[C@@H]1CCCC[C@H]1[NH2+]C/C(N)=N/O 70608709 571684289 /nfs/dbraw/zinc/68/42/89/571684289.db2.gz OQLMLXDXANNVOR-RKDXNWHRSA-N 1 0 199.298 1.291 10 30 ADEERO CC[C@H](CC1CC1)[NH2+][C@@H](C)/C(N)=N/O 70606949 571684330 /nfs/dbraw/zinc/68/43/30/571684330.db2.gz BHILVURVEBNVSY-IONNQARKSA-N 1 0 199.298 1.290 10 30 ADEERO CCCC[C@@H](C)[NH2+][C@H](C)/C(N)=N/O 70605968 571684335 /nfs/dbraw/zinc/68/43/35/571684335.db2.gz LUVRJIAHEWWKJX-HTQZYQBOSA-N 1 0 187.287 1.290 10 30 ADEERO C[NH+]1CC([C@H](C#N)C2CCCC2)C1 213933285 571684336 /nfs/dbraw/zinc/68/43/36/571684336.db2.gz USJHSJHJUBXUBR-LLVKDONJSA-N 1 0 178.279 1.878 10 30 ADEERO CCCC[C@H](C)[NH2+][C@@H](C)/C(N)=N/O 70605967 571684344 /nfs/dbraw/zinc/68/43/44/571684344.db2.gz LUVRJIAHEWWKJX-YUMQZZPRSA-N 1 0 187.287 1.290 10 30 ADEERO CC[C@H]([NH2+]CC/C(N)=N/O)C(C)C 70607922 571684369 /nfs/dbraw/zinc/68/43/69/571684369.db2.gz XVEWMCNAFADCDZ-QMMMGPOBSA-N 1 0 187.287 1.147 10 30 ADEERO CCCCCC[NH2+]CC/C(N)=N/O 70606889 571684379 /nfs/dbraw/zinc/68/43/79/571684379.db2.gz QFYVGUJIWDSSAX-UHFFFAOYSA-N 1 0 187.287 1.293 10 30 ADEERO CC[C@@H]1CCCC[C@@H]1[NH2+]C/C(N)=N/O 70608707 571684384 /nfs/dbraw/zinc/68/43/84/571684384.db2.gz OQLMLXDXANNVOR-BDAKNGLRSA-N 1 0 199.298 1.291 10 30 ADEERO C[NH+](C)CCCCN(CC#N)C1CC1 687715723 571684395 /nfs/dbraw/zinc/68/43/95/571684395.db2.gz WXBXXQSMDMJSFT-UHFFFAOYSA-N 1 0 195.310 1.316 10 30 ADEERO C[C@@H](CC1CC1)[NH2+]C[C@H](C)/C(N)=N/O 70606668 571684465 /nfs/dbraw/zinc/68/44/65/571684465.db2.gz XUOFWSXGJSRSJI-YUMQZZPRSA-N 1 0 199.298 1.147 10 30 ADEERO CC[C@@H]([NH2+]CC(C)(C)C)/C(N)=N/O 70607552 571684482 /nfs/dbraw/zinc/68/44/82/571684482.db2.gz NYOXCZUZDHPDHT-SSDOTTSWSA-N 1 0 187.287 1.147 10 30 ADEERO CC[C@H]([NH2+][C@H](C)/C(N)=N/O)C(C)C 70607948 571684456 /nfs/dbraw/zinc/68/44/56/571684456.db2.gz XDUSNHXNDGMYTN-SFYZADRCSA-N 1 0 187.287 1.146 10 30 ADEERO C[C@@H](CC1CC1)[NH2+]C[C@@H](C)/C(N)=N/O 70606666 571684532 /nfs/dbraw/zinc/68/45/32/571684532.db2.gz XUOFWSXGJSRSJI-SFYZADRCSA-N 1 0 199.298 1.147 10 30 ADEERO CC(C)CCC[NH2+][C@H](C)/C(N)=N/O 70607326 571684586 /nfs/dbraw/zinc/68/45/86/571684586.db2.gz OCIFOOFZQQFTBJ-MRVPVSSYSA-N 1 0 187.287 1.147 10 30 ADEERO CC[C@@H](C)C[NH2+]C[C@H](C)/C(N)=N/O 70606164 571684635 /nfs/dbraw/zinc/68/46/35/571684635.db2.gz BDTBKNMJABUQPB-SFYZADRCSA-N 1 0 187.287 1.005 10 30 ADEERO CC[C@H]([NH2+]C[C@H](C)CC)/C(N)=N/O 70606178 571684641 /nfs/dbraw/zinc/68/46/41/571684641.db2.gz 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/nfs/dbraw/zinc/77/58/60/571775860.db2.gz IOBBESDCNUEYSP-ZYHUDNBSSA-N 1 0 196.338 1.916 10 30 ADEERO C#C[C@H](C)[NH2+]C[C@H](C)N1CCCC1 229547201 571775923 /nfs/dbraw/zinc/77/59/23/571775923.db2.gz ODOPFOPNFWEQMZ-QWRGUYRKSA-N 1 0 180.295 1.082 10 30 ADEERO N#CCCOCC[N@@H+]1CC[C@H]2C[C@H]21 687800183 571775981 /nfs/dbraw/zinc/77/59/81/571775981.db2.gz DYIODDUNHRBCOW-VHSXEESVSA-N 1 0 180.251 1.011 10 30 ADEERO C1CC[C@H]2[C@@H]([NH2+]CC[C@H]3CO3)C[C@H]2C1 712524149 571776146 /nfs/dbraw/zinc/77/61/46/571776146.db2.gz JBQWCMLUNWWSKK-KXNHARMFSA-N 1 0 195.306 1.944 10 30 ADEERO C#C[C@H](C)[NH2+][C@@H](C)CCOC 229535017 571776301 /nfs/dbraw/zinc/77/63/01/571776301.db2.gz ATZGYULXKVSPSB-IUCAKERBSA-N 1 0 155.241 1.023 10 30 ADEERO COc1cncc(C#C[C@@H](C)[NH3+])c1C 687650558 571776604 /nfs/dbraw/zinc/77/66/04/571776604.db2.gz CNUFOORSSFAKBM-MRVPVSSYSA-N 1 0 190.246 1.097 10 30 ADEERO C=C(C)CC[NH2+]C[C@](C)(O)CC 168998320 571776617 /nfs/dbraw/zinc/77/66/17/571776617.db2.gz LBCDBCIMCVIBQI-SNVBAGLBSA-N 1 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C1CC[C@H]2[C@@H]([NH2+]CC[C@@H]3CO3)C[C@H]2C1 712524146 571777210 /nfs/dbraw/zinc/77/72/10/571777210.db2.gz JBQWCMLUNWWSKK-KKOKHZNYSA-N 1 0 195.306 1.944 10 30 ADEERO C#C[C@@H](C)[NH2+]C[C@](C)(O)CC(C)C 229539104 571777533 /nfs/dbraw/zinc/77/75/33/571777533.db2.gz DCUUMJHITVNZFF-GHMZBOCLSA-N 1 0 183.295 1.395 10 30 ADEERO C[C@@H]([NH3+])C(=O)/C=C/c1ccccc1 1609401 571777980 /nfs/dbraw/zinc/77/79/80/571777980.db2.gz ARWKEKBMGMURNX-FCZSHJHJSA-N 1 0 175.231 1.616 10 30 biogenic ADEERO CC[C@H]([NH2+]CC1(CC#N)CC1)[C@@H](C)O 386791036 571778029 /nfs/dbraw/zinc/77/80/29/571778029.db2.gz OIAVNBONLSDAGF-ZJUUUORDSA-N 1 0 196.294 1.429 10 30 ADEERO C#CC[NH2+]C[C@@H](C)CC(C)C 301005682 571778061 /nfs/dbraw/zinc/77/80/61/571778061.db2.gz XVUNMKCNZBFFNC-JTQLQIEISA-N 1 0 153.269 1.891 10 30 ADEERO C=CCC(=O)N(C)C[C@H]1CCC[NH2+]C1 234349507 571778390 /nfs/dbraw/zinc/77/83/90/571778390.db2.gz LGOUDVCQZQDJRT-JTQLQIEISA-N 1 0 196.294 1.021 10 30 ADEERO CN(C)/C=[NH+]\[C@H]1C=CCC1 39078454 571778734 /nfs/dbraw/zinc/77/87/34/571778734.db2.gz YQKQVPOJEVDMLV-FZGDARCMSA-N 1 0 138.214 1.295 10 30 ADEERO C=C[C@H](C)[N@@H+](C)C[C@H](C)C(=O)OC 49613010 571778855 /nfs/dbraw/zinc/77/88/55/571778855.db2.gz BBGQSVDZYNFFSO-IUCAKERBSA-N 1 0 185.267 1.302 10 30 ADEERO C#CC[C@@H](CC1(OC)CCC1)[NH2+]C 234433547 571779214 /nfs/dbraw/zinc/77/92/14/571779214.db2.gz BIIOFZPVDMFEIV-JTQLQIEISA-N 1 0 181.279 1.557 10 30 ADEERO C[C@]1([NH2+]CCCCC#N)CCCOC1 235704786 571779254 /nfs/dbraw/zinc/77/92/54/571779254.db2.gz MROLZQZIAQJXIL-NSHDSACASA-N 1 0 196.294 1.839 10 30 ADEERO COc1cncc(C#C[C@H](C)[NH3+])c1C 687650559 571779344 /nfs/dbraw/zinc/77/93/44/571779344.db2.gz CNUFOORSSFAKBM-QMMMGPOBSA-N 1 0 190.246 1.097 10 30 ADEERO C[C@H]([NH2+]CCC#N)C1(C)CC1 37468501 571779606 /nfs/dbraw/zinc/77/96/06/571779606.db2.gz QRDCEPRQXCFQDC-QMMMGPOBSA-N 1 0 152.241 1.678 10 30 ADEERO [NH3+]CC#CCNc1ccccc1 1658428 571781515 /nfs/dbraw/zinc/78/15/15/571781515.db2.gz RJQUWHXOFWMOGH-UHFFFAOYSA-N 1 0 160.220 1.061 10 30 ADEERO C=CCCOC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C2 713004075 571779648 /nfs/dbraw/zinc/77/96/48/571779648.db2.gz RIWMVKUVHBYBSI-IQJOONFLSA-N 1 0 195.262 1.233 10 30 ADEERO C#CC[C@H](CC1(OC)CCC1)[NH2+]C 234435859 571779694 /nfs/dbraw/zinc/77/96/94/571779694.db2.gz BIIOFZPVDMFEIV-SNVBAGLBSA-N 1 0 181.279 1.557 10 30 ADEERO C#C[C@H](CC)[NH2+]C(C)(C)COC 229556057 571779864 /nfs/dbraw/zinc/77/98/64/571779864.db2.gz YRCNSQRNDDNKEM-SECBINFHSA-N 1 0 169.268 1.413 10 30 ADEERO C=CCC[NH2+][C@@]1(C)CCCOC1 235704546 571779916 /nfs/dbraw/zinc/77/99/16/571779916.db2.gz PTGNPKQAELIYIL-JTQLQIEISA-N 1 0 169.268 1.721 10 30 ADEERO C#CC[C@H](C)[NH2+]Cc1cnoc1 687800125 571780117 /nfs/dbraw/zinc/78/01/17/571780117.db2.gz SPBWDVBQDCZOEJ-QMMMGPOBSA-N 1 0 164.208 1.176 10 30 ADEERO C=CCCC[C@@H](C)NC(NC)=[NH+]C 398299136 571780179 /nfs/dbraw/zinc/78/01/79/571780179.db2.gz GRTCGPSDAHJUAQ-SECBINFHSA-N 1 0 183.299 1.526 10 30 ADEERO C#CCCC[NH2+][C@@]1(C)CCCOC1 235704579 571780414 /nfs/dbraw/zinc/78/04/14/571780414.db2.gz SWCAOCGHJAOWEL-NSHDSACASA-N 1 0 181.279 1.559 10 30 ADEERO C#CC[C@@H](C)[NH2+]Cc1cnoc1 687800124 571780440 /nfs/dbraw/zinc/78/04/40/571780440.db2.gz SPBWDVBQDCZOEJ-MRVPVSSYSA-N 1 0 164.208 1.176 10 30 ADEERO C[C@]1([NH2+]CCCC#N)CCCOC1 235704611 571780461 /nfs/dbraw/zinc/78/04/61/571780461.db2.gz MPFRODKBYLSWMZ-JTQLQIEISA-N 1 0 182.267 1.449 10 30 ADEERO C[C@H]1CC[C@H]([NH2+]CC(C)(C)C#N)CO1 335655884 571784337 /nfs/dbraw/zinc/78/43/37/571784337.db2.gz LWOFVHBWCQDGTJ-UWVGGRQHSA-N 1 0 196.294 1.693 10 30 ADEERO C=C(C)C[C@H](COCCOC)[NH2+]C 234436636 571781559 /nfs/dbraw/zinc/78/15/59/571781559.db2.gz GWGDLXOCFTZEIJ-SNVBAGLBSA-N 1 0 187.283 1.204 10 30 ADEERO C=C(C)CN(C)C(=O)[C@H](C)C[NH2+]CC 219295086 571781052 /nfs/dbraw/zinc/78/10/52/571781052.db2.gz QESZNOJLTCQOLG-SNVBAGLBSA-N 1 0 198.310 1.267 10 30 ADEERO C#C[C@@H](CC)[NH2+]CC(C)(C)OC 229554898 571781089 /nfs/dbraw/zinc/78/10/89/571781089.db2.gz VROJVNBHRXFCLM-VIFPVBQESA-N 1 0 169.268 1.413 10 30 ADEERO CC#CC[C@@H](CC1(OC)CCC1)[NH2+]C 234436500 571781316 /nfs/dbraw/zinc/78/13/16/571781316.db2.gz XNWUWEGQEOKQJF-NSHDSACASA-N 1 0 195.306 1.947 10 30 ADEERO C#C[C@H](CC)N1CCCC[C@@H]1C[NH2+]C 229559863 571781334 /nfs/dbraw/zinc/78/13/34/571781334.db2.gz VEFNEIHLLZGYFE-VXGBXAGGSA-N 1 0 194.322 1.472 10 30 ADEERO CNC(=[NH2+])N(C)N=Cc1ccccc1 1742150 571782532 /nfs/dbraw/zinc/78/25/32/571782532.db2.gz RUPNXIOXALQJNQ-MDWZMJQESA-N 1 0 190.250 1.106 10 30 ADEERO C[NH2+]CCn1ccc2c(C#N)cccc21 234357900 571782620 /nfs/dbraw/zinc/78/26/20/571782620.db2.gz GTTDSIOGHMGBAZ-UHFFFAOYSA-N 1 0 199.257 1.732 10 30 ADEERO C=C[C@@](C)(C[NH3+])COCC(F)(F)F 235708954 571782790 /nfs/dbraw/zinc/78/27/90/571782790.db2.gz YKGQZRNOZYOXGC-ZETCQYMHSA-N 1 0 197.200 1.716 10 30 ADEERO C[C@@H]1CC[C@H]([NH2+]CC(C)(C)C#N)CO1 335655886 571782891 /nfs/dbraw/zinc/78/28/91/571782891.db2.gz LWOFVHBWCQDGTJ-ZJUUUORDSA-N 1 0 196.294 1.693 10 30 ADEERO CCSC(=[NH2+])NCc1ccco1 25864684 571782892 /nfs/dbraw/zinc/78/28/92/571782892.db2.gz JUJQVKQQMVPXSX-UHFFFAOYSA-N 1 0 184.264 1.847 10 30 ADEERO C=CCNC1=[NH+]CC2(CCCC2)N1 687800929 571782992 /nfs/dbraw/zinc/78/29/92/571782992.db2.gz WQOUDECHWQGPHX-UHFFFAOYSA-N 1 0 179.267 1.034 10 30 ADEERO C=C[C@@](C)(C[NH3+])COCC1CC1 235709048 571783015 /nfs/dbraw/zinc/78/30/15/571783015.db2.gz NMEZNCBRRLAJNR-JTQLQIEISA-N 1 0 169.268 1.564 10 30 ADEERO C=C(C)CN(C)C(=O)C[C@@H]1CC[NH2+]C1 219299465 571783306 /nfs/dbraw/zinc/78/33/06/571783306.db2.gz TXKRFUFGUUJYED-JTQLQIEISA-N 1 0 196.294 1.021 10 30 ADEERO C=C(CC)C[NH2+]C[C@H]1CCN1C 712541411 571783669 /nfs/dbraw/zinc/78/36/69/571783669.db2.gz FKFARVKPALVLNW-SNVBAGLBSA-N 1 0 168.284 1.246 10 30 ADEERO C[NH2+]CCn1ccc2ccc(C#N)cc21 234357961 571783693 /nfs/dbraw/zinc/78/36/93/571783693.db2.gz RLSBFRBYJZVPLH-UHFFFAOYSA-N 1 0 199.257 1.732 10 30 ADEERO C[C@H]1CC[C@@H]([NH2+]CC(C)(C)C#N)CO1 335655885 571783877 /nfs/dbraw/zinc/78/38/77/571783877.db2.gz LWOFVHBWCQDGTJ-VHSXEESVSA-N 1 0 196.294 1.693 10 30 ADEERO CCCC/[NH+]=C\N1CCN(C)CC1 39114464 571783963 /nfs/dbraw/zinc/78/39/63/571783963.db2.gz RARCCGCMPJQRCQ-KHPPLWFESA-N 1 0 183.299 1.062 10 30 ADEERO C=C(C)CN(C)C(=O)CCC[C@@H](C)[NH3+] 219298664 571783966 /nfs/dbraw/zinc/78/39/66/571783966.db2.gz MELMGOBPYWDEPT-SNVBAGLBSA-N 1 0 198.310 1.538 10 30 ADEERO C[C@]1(O)CC[N@H+](CCCCS)C1 235714094 571784181 /nfs/dbraw/zinc/78/41/81/571784181.db2.gz QQIHZDGBDOZTHA-VIFPVBQESA-N 1 0 189.324 1.153 10 30 ADEERO C=C(CC)C[NH2+]C[C@@H]1CCN1C 712541410 571784207 /nfs/dbraw/zinc/78/42/07/571784207.db2.gz FKFARVKPALVLNW-JTQLQIEISA-N 1 0 168.284 1.246 10 30 ADEERO C=C(C)CN(C)C(=O)[C@@](C)([NH3+])C1CC1 219297369 571784406 /nfs/dbraw/zinc/78/44/06/571784406.db2.gz KSVPHPQJGPBWAD-NSHDSACASA-N 1 0 196.294 1.148 10 30 ADEERO C[NH2+]CCOc1ccc(C)cc1C#N 234354375 571784585 /nfs/dbraw/zinc/78/45/85/571784585.db2.gz WVXRGCTXCUFWPB-UHFFFAOYSA-N 1 0 190.246 1.465 10 30 ADEERO C=C[C@H](C(=O)OC)[N@@H+]1CCCC1(C)C 301013084 571784694 /nfs/dbraw/zinc/78/46/94/571784694.db2.gz GVQMGNYLROKEAK-SECBINFHSA-N 1 0 197.278 1.588 10 30 ADEERO C=C[C@@H](C(=O)OC)[N@@H+]1CCCC1(C)C 301013085 571785309 /nfs/dbraw/zinc/78/53/09/571785309.db2.gz GVQMGNYLROKEAK-VIFPVBQESA-N 1 0 197.278 1.588 10 30 ADEERO C#CC[C@H]([NH2+]CCC)[C@]12COC[C@H]1C2 689174691 571785315 /nfs/dbraw/zinc/78/53/15/571785315.db2.gz SVZRJXNFDYMYAJ-GRYCIOLGSA-N 1 0 193.290 1.414 10 30 ADEERO C=C(C(C)=O)[C@@H]([NH3+])c1ccccc1 140137084 571785645 /nfs/dbraw/zinc/78/56/45/571785645.db2.gz HNOQHJCRNKUFJC-LLVKDONJSA-N 1 0 175.231 1.832 10 30 ADEERO C[NH+](C)CCCN1CCC(C#N)CC1 227222860 571785791 /nfs/dbraw/zinc/78/57/91/571785791.db2.gz VBDYRRFNITUNRW-UHFFFAOYSA-N 1 0 195.310 1.174 10 30 ADEERO C#CC[C@H]([NH2+]CCC)[C@@]12COC[C@@H]1C2 689174693 571785905 /nfs/dbraw/zinc/78/59/05/571785905.db2.gz SVZRJXNFDYMYAJ-SRVKXCTJSA-N 1 0 193.290 1.414 10 30 ADEERO C=C[C@H](C(=O)OC)[N@H+]1CCC[C@@H]1CC 301012535 571785945 /nfs/dbraw/zinc/78/59/45/571785945.db2.gz GRQGLIUYRLCNHH-VHSXEESVSA-N 1 0 197.278 1.588 10 30 ADEERO C#C[C@H](c1ccccc1)[NH+](C)C 140190761 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571861725 /nfs/dbraw/zinc/86/17/25/571861725.db2.gz JBMVYKORSFXVIE-UHFFFAOYSA-N 1 0 197.278 1.333 10 30 ADEERO CCON=C1CC[N@@H+]2CCCC[C@@H]12 379368834 571861749 /nfs/dbraw/zinc/86/17/49/571861749.db2.gz ZCQYSFCXHHGWJY-JTQLQIEISA-N 1 0 182.267 1.637 10 30 ADEERO CC(C)(C)C#CCC(=O)CCC[NH3+] 300728936 571862205 /nfs/dbraw/zinc/86/22/05/571862205.db2.gz FBGRIHRBMDDQKE-UHFFFAOYSA-N 1 0 181.279 1.734 10 30 ADEERO C[C@@H]1CSC2=C(C[NH2+]CC2)/C1=N/O 139003369 571862227 /nfs/dbraw/zinc/86/22/27/571862227.db2.gz LFUNBGHTBQBNNW-PHFJWFOPSA-N 1 0 198.291 1.447 10 30 ADEERO C[NH2+]CCOCC#CC(C)(C)C 300728873 571862264 /nfs/dbraw/zinc/86/22/64/571862264.db2.gz DZOCQFLVEFWMDD-UHFFFAOYSA-N 1 0 169.268 1.272 10 30 ADEERO C=CCn1ccc(C[NH2+]C2CC2)c1 300728345 571862518 /nfs/dbraw/zinc/86/25/18/571862518.db2.gz CQHOYOJATBFEMW-UHFFFAOYSA-N 1 0 176.263 1.926 10 30 ADEERO C#CCN(C)C[C@H]1[NH2+]CCCC1(C)C 234247662 571862584 /nfs/dbraw/zinc/86/25/84/571862584.db2.gz GVKITBGGXYJWBJ-LLVKDONJSA-N 1 0 194.322 1.330 10 30 ADEERO C[C@H]1CSC2=C(C[NH2+]CC2)/C1=N/O 139003471 571862591 /nfs/dbraw/zinc/86/25/91/571862591.db2.gz LFUNBGHTBQBNNW-OCEJCCQVSA-N 1 0 198.291 1.447 10 30 ADEERO COCCC[NH2+]CC#CC(C)(C)C 300725949 571862643 /nfs/dbraw/zinc/86/26/43/571862643.db2.gz DEJRUJQEKBWXMY-UHFFFAOYSA-N 1 0 183.295 1.662 10 30 ADEERO CCON=C1CC[N@@H+]2CCCC[C@H]12 379368835 571862744 /nfs/dbraw/zinc/86/27/44/571862744.db2.gz ZCQYSFCXHHGWJY-SNVBAGLBSA-N 1 0 182.267 1.637 10 30 ADEERO O/N=C1\CCSC2=C1C[NH2+]CC2 139003245 571862857 /nfs/dbraw/zinc/86/28/57/571862857.db2.gz WJTQQMPZIWAFKW-JXMROGBWSA-N 1 0 184.264 1.201 10 30 ADEERO C[NH2+][C@@H](CC#CC(C)(C)C)COC 300731763 571863129 /nfs/dbraw/zinc/86/31/29/571863129.db2.gz FUYSVTYPKCZIRU-JTQLQIEISA-N 1 0 183.295 1.660 10 30 ADEERO C=CCn1ccc(C[NH2+]C)c1C 300731967 571863238 /nfs/dbraw/zinc/86/32/38/571863238.db2.gz DXGZFVQLKTTXGD-UHFFFAOYSA-N 1 0 164.252 1.702 10 30 ADEERO C=CC[NH2+][C@@]1(CN)CCC[C@@H]1CC 229688187 571863381 /nfs/dbraw/zinc/86/33/81/571863381.db2.gz 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/nfs/dbraw/zinc/86/40/99/571864099.db2.gz LFRKMVWTSHTLIZ-JXMROGBWSA-N 1 0 173.256 1.529 10 30 ADEERO C=CC[C@H]([NH2+]C)c1cn(C)cn1 234443555 571864141 /nfs/dbraw/zinc/86/41/41/571864141.db2.gz YXPBTNPOVFAALE-QMMMGPOBSA-N 1 0 165.240 1.257 10 30 ADEERO CC[N@@H+](CC#CC(C)(C)C)CCCO 300730029 571864393 /nfs/dbraw/zinc/86/43/93/571864393.db2.gz FJDDWPDGAVAINV-UHFFFAOYSA-N 1 0 197.322 1.740 10 30 ADEERO C#CCC[C@@H](CC1(OC)CCC1)[NH2+]C 234444373 571864967 /nfs/dbraw/zinc/86/49/67/571864967.db2.gz LPUSGWSJFLVPAQ-NSHDSACASA-N 1 0 195.306 1.947 10 30 ADEERO C=CC[C@H]([NH2+]C)c1ccc(OC)nn1 234443094 571865098 /nfs/dbraw/zinc/86/50/98/571865098.db2.gz JBEUVWPHNTUCQD-QMMMGPOBSA-N 1 0 193.250 1.322 10 30 ADEERO C#CCn1ccc(C[NH2+]CC)c1C 300735358 571865185 /nfs/dbraw/zinc/86/51/85/571865185.db2.gz GCGYVWLAERQGGO-UHFFFAOYSA-N 1 0 176.263 1.539 10 30 ADEERO C#CC[C@H](C)[NH2+][C@H]1CCS[C@@H]1C 220763211 571865188 /nfs/dbraw/zinc/86/51/88/571865188.db2.gz KDYSOFAZWREKMT-AEJSXWLSSA-N 1 0 183.320 1.882 10 30 ADEERO C[NH2+][C@H](CC#CC(C)(C)C)COC 300731764 571865286 /nfs/dbraw/zinc/86/52/86/571865286.db2.gz FUYSVTYPKCZIRU-SNVBAGLBSA-N 1 0 183.295 1.660 10 30 ADEERO CC(C)(C)C#CC[NH2+]CC1(CO)CC1 300734476 571865581 /nfs/dbraw/zinc/86/55/81/571865581.db2.gz GTHVMDQETFRJOB-UHFFFAOYSA-N 1 0 195.306 1.398 10 30 ADEERO C#CCn1ccc(C[NH2+]CCC)c1 300731557 571865681 /nfs/dbraw/zinc/86/56/81/571865681.db2.gz DTIIJOKYTBNKOK-UHFFFAOYSA-N 1 0 176.263 1.621 10 30 ADEERO Cc1ccc(N/[NH+]=C/N(C)C)cc1 38974676 571865941 /nfs/dbraw/zinc/86/59/41/571865941.db2.gz CWTQKPIQDVCUDB-DHZHZOJOSA-N 1 0 177.251 1.912 10 30 ADEERO C=CCCC[C@H](CC1OCCO1)[NH2+]C 234442288 571866114 /nfs/dbraw/zinc/86/61/14/571866114.db2.gz OHGWKUBZPQVXHF-SNVBAGLBSA-N 1 0 199.294 1.694 10 30 ADEERO C#C[C@H]([NH2+]C)c1ccoc1CC 234256358 571866199 /nfs/dbraw/zinc/86/61/99/571866199.db2.gz FGLRBMINPPPJJT-VIFPVBQESA-N 1 0 163.220 1.736 10 30 ADEERO CO/N=C1\CCSC2=C1C[NH2+]CC2 139028902 571866836 /nfs/dbraw/zinc/86/68/36/571866836.db2.gz YBZATUFXRHPBHU-DHZHZOJOSA-N 1 0 198.291 1.373 10 30 ADEERO C#C[C@@H]([NH2+][C@H](C)CC(=O)OC)C(C)C 300736355 571867149 /nfs/dbraw/zinc/86/71/49/571867149.db2.gz ADMSYTGQUKZAHT-NXEZZACHSA-N 1 0 197.278 1.185 10 30 ADEERO C#CC[C@@H]([NH2+]C)[C@H](C)CSC 300741808 571867290 /nfs/dbraw/zinc/86/72/90/571867290.db2.gz AVCAIVRYIFCDQC-RKDXNWHRSA-N 1 0 171.309 1.597 10 30 ADEERO C[C@H](CCO)C[NH2+]CC#CC(C)(C)C 300737564 571867341 /nfs/dbraw/zinc/86/73/41/571867341.db2.gz HNXPXZGCLKMUKA-LLVKDONJSA-N 1 0 197.322 1.644 10 30 ADEERO C#C[C@H]([NH2+]CC(C)(C)O)C(C)C 300737459 571867412 /nfs/dbraw/zinc/86/74/12/571867412.db2.gz AJBVKPRNAZNKSQ-VIFPVBQESA-N 1 0 169.268 1.005 10 30 ADEERO C#C[C@@H]([NH2+]CCC#CC)C(C)C 300736793 571867455 /nfs/dbraw/zinc/86/74/55/571867455.db2.gz AFRYZBBRUJZQKR-LLVKDONJSA-N 1 0 163.264 1.647 10 30 ADEERO C#CCn1ccc(C[NH2+]CCC)c1C 300737028 571867790 /nfs/dbraw/zinc/86/77/90/571867790.db2.gz GRKDSYZCQSLWON-UHFFFAOYSA-N 1 0 190.290 1.929 10 30 ADEERO C=CCn1cc(C)[nH+]c1NCCOC 234665639 571867795 /nfs/dbraw/zinc/86/77/95/571867795.db2.gz SLFYBYYYFVOXAP-UHFFFAOYSA-N 1 0 195.266 1.436 10 30 ADEERO CO[C@H](C)C[NH2+]CC#CC(C)(C)C 300733772 571867914 /nfs/dbraw/zinc/86/79/14/571867914.db2.gz GNTOOZOFRBIMAM-SNVBAGLBSA-N 1 0 183.295 1.660 10 30 ADEERO C#C[C@H]([NH2+][C@@H](C)CC(=O)OC)C(C)C 300736358 571867918 /nfs/dbraw/zinc/86/79/18/571867918.db2.gz ADMSYTGQUKZAHT-UWVGGRQHSA-N 1 0 197.278 1.185 10 30 ADEERO C#C[C@@H]([NH2+]CC(C)(C)O)C(C)C 300737457 571867936 /nfs/dbraw/zinc/86/79/36/571867936.db2.gz AJBVKPRNAZNKSQ-SECBINFHSA-N 1 0 169.268 1.005 10 30 ADEERO C[NH+](C)C1(CC#N)CCCC1 39017262 571868037 /nfs/dbraw/zinc/86/80/37/571868037.db2.gz JPDYKGXRRPYJAI-UHFFFAOYSA-N 1 0 152.241 1.774 10 30 ADEERO C#C[C@H]([NH2+][C@H](C)CC(=O)OC)C(C)C 300736363 571868265 /nfs/dbraw/zinc/86/82/65/571868265.db2.gz ADMSYTGQUKZAHT-ZJUUUORDSA-N 1 0 197.278 1.185 10 30 ADEERO C=CCOCc1ncccc1C[NH3+] 300738268 571868380 /nfs/dbraw/zinc/86/83/80/571868380.db2.gz GXXIXQGMBPQALZ-UHFFFAOYSA-N 1 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/nfs/dbraw/zinc/86/92/91/571869291.db2.gz AVCAIVRYIFCDQC-DTWKUNHWSA-N 1 0 171.309 1.597 10 30 ADEERO C#CCn1cc([C@@H]2CCCC[NH2+]2)cn1 214573755 571869406 /nfs/dbraw/zinc/86/94/06/571869406.db2.gz LLYIMCHSMLRHDD-NSHDSACASA-N 1 0 189.262 1.331 10 30 ADEERO CC[C@@H]1C[N@H+](CC[C@@H]2CO2)[C@@H](C)CO1 404122105 571870172 /nfs/dbraw/zinc/87/01/72/571870172.db2.gz UUOKONAGDJBDGZ-HBNTYKKESA-N 1 0 199.294 1.275 10 30 ADEERO CC#CCCn1ccc(C[NH2+]C)c1C 300739807 571870209 /nfs/dbraw/zinc/87/02/09/571870209.db2.gz HJGFXPCHSUTDQW-UHFFFAOYSA-N 1 0 190.290 1.929 10 30 ADEERO CNC(Nc1ccccc1)=[NH+]C 196122969 571870240 /nfs/dbraw/zinc/87/02/40/571870240.db2.gz VIFIYFCUAYWSLG-UHFFFAOYSA-N 1 0 163.224 1.304 10 30 ADEERO C=CC[N@H+]1CC2=C(C)C(=O)C[C@H]2C1 39038675 571870258 /nfs/dbraw/zinc/87/02/58/571870258.db2.gz QRFFSIHRIARBOH-VIFPVBQESA-N 1 0 177.247 1.394 10 30 ADEERO C#CCn1cc([C@H]2CCCC[NH2+]2)cn1 214573815 571870387 /nfs/dbraw/zinc/87/03/87/571870387.db2.gz LLYIMCHSMLRHDD-LLVKDONJSA-N 1 0 189.262 1.331 10 30 ADEERO C[NH+]=CNc1ccc(C)cc1 6546459 571870570 /nfs/dbraw/zinc/87/05/70/571870570.db2.gz XDNWHLGBPAHXOF-UHFFFAOYSA-N 1 0 148.209 1.874 10 30 ADEERO C[NH2+]CCCC(=O)CC#CC(C)(C)C 300740166 571870599 /nfs/dbraw/zinc/87/05/99/571870599.db2.gz IFLSBOKRRRVLSY-UHFFFAOYSA-N 1 0 195.306 1.995 10 30 ADEERO C#CCn1cc(C2([NH3+])CCCC2)cn1 214574922 571870992 /nfs/dbraw/zinc/87/09/92/571870992.db2.gz KROBHKCJGDWDOI-UHFFFAOYSA-N 1 0 189.262 1.244 10 30 ADEERO C[NH+](C)[C@@H]1C=CCC[C@]1(C)C=O 139089521 571871511 /nfs/dbraw/zinc/87/15/11/571871511.db2.gz OKLPLACKRKJTEO-NXEZZACHSA-N 1 0 167.252 1.472 10 30 ADEERO C#CCCn1ccc(C[NH2+]CC)c1C 300739803 571871583 /nfs/dbraw/zinc/87/15/83/571871583.db2.gz HJCHKYVQXBNUJV-UHFFFAOYSA-N 1 0 190.290 1.929 10 30 ADEERO CNC(Nc1ccc(C)cc1C)=[NH+]C 196122961 571871990 /nfs/dbraw/zinc/87/19/90/571871990.db2.gz QKWBZALCWIOINA-UHFFFAOYSA-N 1 0 191.278 1.921 10 30 ADEERO CC[C@@H]1C[N@H+](CC[C@H]2CO2)[C@H](C)CO1 404122106 571872099 /nfs/dbraw/zinc/87/20/99/571872099.db2.gz UUOKONAGDJBDGZ-MXWKQRLJSA-N 1 0 199.294 1.275 10 30 ADEERO CC[C@@H]1C=C[C@@H]([NH3+])[C@H](C#N)C1 39048531 571872590 /nfs/dbraw/zinc/87/25/90/571872590.db2.gz CWRGATYAJFCYJD-HRDYMLBCSA-N 1 0 150.225 1.440 10 30 ADEERO C#CC[C@H]([NH2+]CC)[C@H]1CCOC[C@@H]1C 301047440 571872633 /nfs/dbraw/zinc/87/26/33/571872633.db2.gz YTUZPWITOQFAIU-SRVKXCTJSA-N 1 0 195.306 1.660 10 30 ADEERO CC(C)[NH2+]CC(=O)CC#CC(C)(C)C 300748590 571873045 /nfs/dbraw/zinc/87/30/45/571873045.db2.gz KFGMWFJMEFSHSY-UHFFFAOYSA-N 1 0 195.306 1.993 10 30 ADEERO C[NH+]=C=Cc1ccccc1 39048989 571873088 /nfs/dbraw/zinc/87/30/88/571873088.db2.gz ZOWSXRLWKXRRGM-UHFFFAOYSA-N 1 0 131.178 1.999 10 30 ADEERO C[C@H](CCCO)[NH2+]CC#CC(C)(C)C 300747505 571873179 /nfs/dbraw/zinc/87/31/79/571873179.db2.gz JWVJFXOXTNKACK-LLVKDONJSA-N 1 0 197.322 1.787 10 30 ADEERO C=CCCOC[C@@H]([NH3+])CCC 111926704 571873274 /nfs/dbraw/zinc/87/32/74/571873274.db2.gz YKKSWDQFPAGMQP-VIFPVBQESA-N 1 0 157.257 1.707 10 30 ADEERO CC[C@@H]1C=C[C@@H]([NH3+])[C@@H](C#N)C1 39048529 571873365 /nfs/dbraw/zinc/87/33/65/571873365.db2.gz CWRGATYAJFCYJD-IWSPIJDZSA-N 1 0 150.225 1.440 10 30 ADEERO C[C@@H](C[C@@H](C)O)[NH2+]CC#CC(C)(C)C 300749805 571873400 /nfs/dbraw/zinc/87/34/00/571873400.db2.gz KQYPNJMHMPWPJB-WDEREUQCSA-N 1 0 197.322 1.785 10 30 ADEERO C#CCn1ccc(C[NH2+]CC(C)C)c1 300741671 571873427 /nfs/dbraw/zinc/87/34/27/571873427.db2.gz HVDTZYFXCXBETD-UHFFFAOYSA-N 1 0 190.290 1.867 10 30 ADEERO C=CC[NH2+][C@@H](C)C(C)(C)OC 300748359 571873479 /nfs/dbraw/zinc/87/34/79/571873479.db2.gz FBKIOPRFDQOSQN-QMMMGPOBSA-N 1 0 157.257 1.576 10 30 ADEERO C#C[C@@H](C)[NH2+][C@H](C)C(C)(C)OC 300748305 571873501 /nfs/dbraw/zinc/87/35/01/571873501.db2.gz DXPOPZKXMVTLPL-RKDXNWHRSA-N 1 0 169.268 1.411 10 30 ADEERO CC(C)[C@H](CO)[NH2+]CC#CC(C)(C)C 300749014 571873515 /nfs/dbraw/zinc/87/35/15/571873515.db2.gz KJGFGFYNZIGNLV-NSHDSACASA-N 1 0 197.322 1.642 10 30 ADEERO C[C@H](O)C[C@H](C)[NH2+]CC#CC(C)(C)C 300749804 571873526 /nfs/dbraw/zinc/87/35/26/571873526.db2.gz KQYPNJMHMPWPJB-QWRGUYRKSA-N 1 0 197.322 1.785 10 30 ADEERO C#CCC[C@H]([NH2+]C)[C@@H]1CCOC[C@H]1C 301047514 571873546 /nfs/dbraw/zinc/87/35/46/571873546.db2.gz YUOMOPGQRUREBF-UTUOFQBUSA-N 1 0 195.306 1.660 10 30 ADEERO C#CC[C@H]([NH2+]CC)[C@@H]1CCOC[C@H]1C 301047445 571873729 /nfs/dbraw/zinc/87/37/29/571873729.db2.gz YTUZPWITOQFAIU-UTUOFQBUSA-N 1 0 195.306 1.660 10 30 ADEERO C[C@@H](CCCO)[NH2+]CC#CC(C)(C)C 300747506 571873741 /nfs/dbraw/zinc/87/37/41/571873741.db2.gz JWVJFXOXTNKACK-NSHDSACASA-N 1 0 197.322 1.787 10 30 ADEERO CC(C)[C@@H](CO)[NH2+]CC#CC(C)(C)C 300749012 571874011 /nfs/dbraw/zinc/87/40/11/571874011.db2.gz KJGFGFYNZIGNLV-LLVKDONJSA-N 1 0 197.322 1.642 10 30 ADEERO C=CCCOC[C@H]([NH3+])C(C)C 111926681 571874090 /nfs/dbraw/zinc/87/40/90/571874090.db2.gz RVIISUZCKHNERZ-VIFPVBQESA-N 1 0 157.257 1.562 10 30 ADEERO C=CCCOC[C@H]([NH3+])CCC 111926706 571874216 /nfs/dbraw/zinc/87/42/16/571874216.db2.gz YKKSWDQFPAGMQP-SECBINFHSA-N 1 0 157.257 1.707 10 30 ADEERO C[C@H](O)C[C@@H](C)[NH2+]CC#CC(C)(C)C 300749803 571874299 /nfs/dbraw/zinc/87/42/99/571874299.db2.gz KQYPNJMHMPWPJB-MNOVXSKESA-N 1 0 197.322 1.785 10 30 ADEERO C#CC[C@H]([NH2+]CC)[C@H]1CCOC[C@H]1C 301047447 571874337 /nfs/dbraw/zinc/87/43/37/571874337.db2.gz YTUZPWITOQFAIU-WOPDTQHZSA-N 1 0 195.306 1.660 10 30 ADEERO C#C[C@@H](C)[NH2+][C@@H](C)C(C)(C)OC 300748300 571874376 /nfs/dbraw/zinc/87/43/76/571874376.db2.gz DXPOPZKXMVTLPL-BDAKNGLRSA-N 1 0 169.268 1.411 10 30 ADEERO C[C@@H](O)C[C@@H](C)[NH2+]CC#CC(C)(C)C 300749802 571874397 /nfs/dbraw/zinc/87/43/97/571874397.db2.gz KQYPNJMHMPWPJB-GHMZBOCLSA-N 1 0 197.322 1.785 10 30 ADEERO C#CCC[C@H]([NH2+]C)[C@H]1CCOC[C@H]1C 301047515 571874486 /nfs/dbraw/zinc/87/44/86/571874486.db2.gz YUOMOPGQRUREBF-WOPDTQHZSA-N 1 0 195.306 1.660 10 30 ADEERO N[NH+]=C(N)SCCC1CCCC1 300748204 571874515 /nfs/dbraw/zinc/87/45/15/571874515.db2.gz KCPGMVHTYSDKSD-UHFFFAOYSA-N 1 0 187.312 1.488 10 30 ADEERO C=CCCOC[C@@H]([NH3+])C(C)C 111926678 571874637 /nfs/dbraw/zinc/87/46/37/571874637.db2.gz RVIISUZCKHNERZ-SECBINFHSA-N 1 0 157.257 1.562 10 30 ADEERO CC(C)(C)C#CCC(=O)C[NH2+]C1CC1 300741346 571874735 /nfs/dbraw/zinc/87/47/35/571874735.db2.gz IMQXHDLHPPXTRU-UHFFFAOYSA-N 1 0 193.290 1.747 10 30 ADEERO C=CC[NH2+][C@H](C)C(C)(C)OC 300748358 571874828 /nfs/dbraw/zinc/87/48/28/571874828.db2.gz FBKIOPRFDQOSQN-MRVPVSSYSA-N 1 0 157.257 1.576 10 30 ADEERO C#CC[C@H]([NH2+]CC)[C@@H]1CCOC[C@@H]1C 301047443 571874980 /nfs/dbraw/zinc/87/49/80/571874980.db2.gz YTUZPWITOQFAIU-TUAOUCFPSA-N 1 0 195.306 1.660 10 30 ADEERO C#C[C@H](C)[NH2+][C@@H](C)C(C)(C)OC 300748304 571875025 /nfs/dbraw/zinc/87/50/25/571875025.db2.gz DXPOPZKXMVTLPL-IUCAKERBSA-N 1 0 169.268 1.411 10 30 ADEERO CC[C@@H](O)CC[NH2+]CC#CC(C)(C)C 300749059 571875095 /nfs/dbraw/zinc/87/50/95/571875095.db2.gz KKABJOOBFSDIOH-LLVKDONJSA-N 1 0 197.322 1.787 10 30 ADEERO C#C[C@H](C)[NH2+][C@H](C)C(C)(C)OC 300748302 571875143 /nfs/dbraw/zinc/87/51/43/571875143.db2.gz DXPOPZKXMVTLPL-DTWKUNHWSA-N 1 0 169.268 1.411 10 30 ADEERO CC[C@](C)(O)C[NH2+]CC#CC(C)(C)C 300745207 571875612 /nfs/dbraw/zinc/87/56/12/571875612.db2.gz JIZIPHFJTBRFJK-LBPRGKRZSA-N 1 0 197.322 1.787 10 30 ADEERO C=C[C@@H](C)[NH2+][C@H](C)C(C)(C)OC 300750352 571875685 /nfs/dbraw/zinc/87/56/85/571875685.db2.gz GIBWNGKJAYCEEC-RKDXNWHRSA-N 1 0 171.284 1.964 10 30 ADEERO CC#CC[C@H]([NH2+]C)[C@H](C)CSC 300745471 571875704 /nfs/dbraw/zinc/87/57/04/571875704.db2.gz CJNARHJQCUYJLB-ZJUUUORDSA-N 1 0 185.336 1.987 10 30 ADEERO O=C[C@H]1CCC[N@@H+]2CCC[C@@H]12 39062424 571877157 /nfs/dbraw/zinc/87/71/57/571877157.db2.gz WHOJTBOIVKGOTN-BDAKNGLRSA-N 1 0 153.225 1.060 10 30 ADEERO COC(C)(C)[C@@H](C)[NH2+]CCC#N 300745531 571875944 /nfs/dbraw/zinc/87/59/44/571875944.db2.gz CLYMMPMIESGUIH-MRVPVSSYSA-N 1 0 170.256 1.303 10 30 ADEERO C[NH2+]CC1(C=O)CCCCC1 39062711 571876043 /nfs/dbraw/zinc/87/60/43/571876043.db2.gz BCTYTUWNOMGXFF-UHFFFAOYSA-N 1 0 155.241 1.355 10 30 ADEERO CCC[N@@H+]1CC[C@@H]2O[C@]2(C)C1 39080747 571885210 /nfs/dbraw/zinc/88/52/10/571885210.db2.gz DQPOEWBDJNCDDC-DTWKUNHWSA-N 1 0 155.241 1.260 10 30 ADEERO CC[C@@H](CO)[NH2+]CC#CC(C)(C)C 300745701 571876328 /nfs/dbraw/zinc/87/63/28/571876328.db2.gz JKLQWKWNZXWIDJ-JTQLQIEISA-N 1 0 183.295 1.396 10 30 ADEERO C[C@H](CO)[C@H](C)[NH2+]CC#CC(C)(C)C 300746258 571876360 /nfs/dbraw/zinc/87/63/60/571876360.db2.gz JMDQNPLVUJFAQE-MNOVXSKESA-N 1 0 197.322 1.642 10 30 ADEERO CCN/C(CCC(C)(C)C)=[NH+]\N 300752516 571876374 /nfs/dbraw/zinc/87/63/74/571876374.db2.gz HVUISGGZUPTEID-UHFFFAOYSA-N 1 0 171.288 1.694 10 30 ADEERO C=C[C@H](C(=O)OC)N(CCC)C1CC1 301053625 571876606 /nfs/dbraw/zinc/87/66/06/571876606.db2.gz YQGFYIMGBKFLHB-SNVBAGLBSA-N 1 0 197.278 1.588 10 30 ADEERO C[C@@H](CO)[C@@H](C)[NH2+]CC#CC(C)(C)C 300746260 571876690 /nfs/dbraw/zinc/87/66/90/571876690.db2.gz JMDQNPLVUJFAQE-WDEREUQCSA-N 1 0 197.322 1.642 10 30 ADEERO C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1C=O 39062855 571876712 /nfs/dbraw/zinc/87/67/12/571876712.db2.gz 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C=CCCOCc1ncccc1C[NH3+] 300744309 571877171 /nfs/dbraw/zinc/87/71/71/571877171.db2.gz ILJBNJGPQDXKPM-UHFFFAOYSA-N 1 0 192.262 1.633 10 30 ADEERO CC#CC[C@@H]([NH2+]C)[C@@H](C)CSC 300745470 571877199 /nfs/dbraw/zinc/87/71/99/571877199.db2.gz CJNARHJQCUYJLB-VHSXEESVSA-N 1 0 185.336 1.987 10 30 ADEERO CCCN/C(=[NH+]\N)[C@@H](C)CSC 300752489 571877266 /nfs/dbraw/zinc/87/72/66/571877266.db2.gz HSJHHTNUITUGBQ-ZETCQYMHSA-N 1 0 189.328 1.257 10 30 ADEERO C=C[C@@H](C(=O)OC)N(CCC)C1CC1 301053624 571877325 /nfs/dbraw/zinc/87/73/25/571877325.db2.gz YQGFYIMGBKFLHB-JTQLQIEISA-N 1 0 197.278 1.588 10 30 ADEERO C=CCN(CCOC)CC1([NH3+])CCC1 234681431 571877355 /nfs/dbraw/zinc/87/73/55/571877355.db2.gz YCORHTFBZOEMGC-UHFFFAOYSA-N 1 0 198.310 1.002 10 30 ADEERO C=C[C@H](C)[NH2+][C@H](C)C(C)(C)OC 300750345 571877400 /nfs/dbraw/zinc/87/74/00/571877400.db2.gz GIBWNGKJAYCEEC-DTWKUNHWSA-N 1 0 171.284 1.964 10 30 ADEERO CC[C@H](CO)[NH2+]CC#CC(C)(C)C 300745702 571877414 /nfs/dbraw/zinc/87/74/14/571877414.db2.gz JKLQWKWNZXWIDJ-SNVBAGLBSA-N 1 0 183.295 1.396 10 30 ADEERO CC#CC[C@H]([NH2+]C)[C@@H](C)CSC 300745469 571877550 /nfs/dbraw/zinc/87/75/50/571877550.db2.gz CJNARHJQCUYJLB-UWVGGRQHSA-N 1 0 185.336 1.987 10 30 ADEERO C[C@H]([NH2+]CC#CC(C)(C)C)[C@@H](C)CO 300746259 571877618 /nfs/dbraw/zinc/87/76/18/571877618.db2.gz JMDQNPLVUJFAQE-QWRGUYRKSA-N 1 0 197.322 1.642 10 30 ADEERO C=CC[NH2+]CC(=O)N1CCCC[C@@H]1C 82313620 571877706 /nfs/dbraw/zinc/87/77/06/571877706.db2.gz ZKSAAAUWNVTPPK-JTQLQIEISA-N 1 0 196.294 1.163 10 30 ADEERO C=C[C@H](C)[NH2+][C@@H](C)C(C)(C)OC 300750349 571877728 /nfs/dbraw/zinc/87/77/28/571877728.db2.gz GIBWNGKJAYCEEC-IUCAKERBSA-N 1 0 171.284 1.964 10 30 ADEERO C=CCOCc1ncccc1C[NH2+]C 300743276 571877777 /nfs/dbraw/zinc/87/77/77/571877777.db2.gz IERCKZDMKAQVIM-UHFFFAOYSA-N 1 0 192.262 1.504 10 30 ADEERO CC#CC[C@@H]([NH2+]C)[C@H](C)CSC 300745468 571878032 /nfs/dbraw/zinc/87/80/32/571878032.db2.gz CJNARHJQCUYJLB-NXEZZACHSA-N 1 0 185.336 1.987 10 30 ADEERO C#C[C@H](C)[NH2+]CC(C)(C)CCOC 234678039 571878230 /nfs/dbraw/zinc/87/82/30/571878230.db2.gz JIINUQDXCRDKNJ-JTQLQIEISA-N 1 0 183.295 1.660 10 30 ADEERO C=C1CC[NH2+][C@@H](C)C1 210169985 571878447 /nfs/dbraw/zinc/87/84/47/571878447.db2.gz SVIZRGNRKKJRFA-ZETCQYMHSA-N 1 0 111.188 1.315 10 30 ADEERO C[C@@H](C#N)N1CCC[C@@H](C)C1 47915469 571878484 /nfs/dbraw/zinc/87/84/84/571878484.db2.gz XSYNJOKCCAXAJK-BDAKNGLRSA-N 1 0 152.241 1.630 10 30 ADEERO C[NH+](C)CC[C@H](O)CC#CC(C)(C)C 300751175 571878836 /nfs/dbraw/zinc/87/88/36/571878836.db2.gz LFJAPHLRHPMEJV-LLVKDONJSA-N 1 0 197.322 1.739 10 30 ADEERO C[C@H]1CCCN([C@@H](C)C#N)C1 47915470 571878863 /nfs/dbraw/zinc/87/88/63/571878863.db2.gz XSYNJOKCCAXAJK-IUCAKERBSA-N 1 0 152.241 1.630 10 30 ADEERO C[N@H+](CCCO)CC1(CS)CC1 300751360 571878872 /nfs/dbraw/zinc/87/88/72/571878872.db2.gz HBTJLNDKWKGMLQ-UHFFFAOYSA-N 1 0 189.324 1.011 10 30 ADEERO CCC[NH+](CCS)CCS 39070828 571878945 /nfs/dbraw/zinc/87/89/45/571878945.db2.gz ICLKNQHOADNTHH-UHFFFAOYSA-N 1 0 179.354 1.558 10 30 ADEERO C[NH2+]/C(C)=C1\C=CC=C1C(C)=O 39071369 571879058 /nfs/dbraw/zinc/87/90/58/571879058.db2.gz HNLGLKFYLLAEJN-VQHVLOKHSA-N 1 0 163.220 1.565 10 30 ADEERO C#C[C@H]([NH2+]CCOCC)C(C)C 300751762 571879260 /nfs/dbraw/zinc/87/92/60/571879260.db2.gz HJKRHPURJUPQPF-JTQLQIEISA-N 1 0 169.268 1.270 10 30 ADEERO CC[C@@H](C[NH3+])C(=O)CC#CC(C)(C)C 300751103 571879328 /nfs/dbraw/zinc/87/93/28/571879328.db2.gz LCXKEXYHGGZZDV-JTQLQIEISA-N 1 0 195.306 1.980 10 30 ADEERO C[N@H+](CCS)C(C)(C)C 39079778 571881591 /nfs/dbraw/zinc/88/15/91/571881591.db2.gz GOYZDCUPXALBIS-UHFFFAOYSA-N 1 0 147.287 1.647 10 30 ADEERO CC[NH2+][C@H](C)CCC#N 144986622 571879631 /nfs/dbraw/zinc/87/96/31/571879631.db2.gz HTVZAVPOBCKGRP-SSDOTTSWSA-N 1 0 126.203 1.288 10 30 ADEERO CCC[N@@H+]1CCC=C(C(C)=O)C1 39072067 571879786 /nfs/dbraw/zinc/87/97/86/571879786.db2.gz SLZNXZJJJWHDSC-UHFFFAOYSA-N 1 0 167.252 1.618 10 30 ADEERO C[NH+](C)CC[C@@H](O)CC#CC(C)(C)C 300751176 571879838 /nfs/dbraw/zinc/87/98/38/571879838.db2.gz LFJAPHLRHPMEJV-NSHDSACASA-N 1 0 197.322 1.739 10 30 ADEERO C=C(C)[C@H](O)C(C)(C)[NH+](C)C 17484155 571881611 /nfs/dbraw/zinc/88/16/11/571881611.db2.gz QITAQROKDJQQDS-QMMMGPOBSA-N 1 0 157.257 1.264 10 30 ADEERO CC[C@H](C[NH3+])C(=O)CC#CC(C)(C)C 300751104 571879996 /nfs/dbraw/zinc/87/99/96/571879996.db2.gz LCXKEXYHGGZZDV-SNVBAGLBSA-N 1 0 195.306 1.980 10 30 ADEERO C#C[C@@H]([NH2+]CCOCC)C(C)C 300751763 571880000 /nfs/dbraw/zinc/88/00/00/571880000.db2.gz HJKRHPURJUPQPF-SNVBAGLBSA-N 1 0 169.268 1.270 10 30 ADEERO C#C/C=C\CC[NH2+]C(C)(C)C 211620034 571880095 /nfs/dbraw/zinc/88/00/95/571880095.db2.gz NZPXOTAGPCHYRA-SREVYHEPSA-N 1 0 151.253 1.954 10 30 ADEERO CSC[C@@H](C)C(NC(C)C)=[NH+]N 300751292 571880172 /nfs/dbraw/zinc/88/01/72/571880172.db2.gz GVPVKPJZLHOKSS-SSDOTTSWSA-N 1 0 189.328 1.256 10 30 ADEERO CSC[C@H](C)C(NC(C)C)=[NH+]N 300751294 571880221 /nfs/dbraw/zinc/88/02/21/571880221.db2.gz GVPVKPJZLHOKSS-ZETCQYMHSA-N 1 0 189.328 1.256 10 30 ADEERO 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/nfs/dbraw/zinc/92/72/41/571927241.db2.gz USFQNCOYTXCHFC-SECBINFHSA-N 1 0 167.252 1.342 10 30 ADEERO C=C(C)CC(=O)[C@H]([NH3+])C(C)(C)C 122818523 571927308 /nfs/dbraw/zinc/92/73/08/571927308.db2.gz SJZDCGIMJQMTKT-VIFPVBQESA-N 1 0 169.268 1.895 10 30 ADEERO CC#CCCC(=O)[C@@H]([NH3+])C(C)(C)C 122835086 571927349 /nfs/dbraw/zinc/92/73/49/571927349.db2.gz XEPJBTRVRWNDQF-SNVBAGLBSA-N 1 0 181.279 1.732 10 30 ADEERO Cc1cc(F)c(/C=C\C[NH3+])cc1C#N 687681002 571927439 /nfs/dbraw/zinc/92/74/39/571927439.db2.gz CACBPMGUSJLOSD-IHWYPQMZSA-N 1 0 190.221 1.978 10 30 ADEERO [NH3+][C@H]1C[C@H]1/N=C\c1ccccc1 687808307 571927589 /nfs/dbraw/zinc/92/75/89/571927589.db2.gz BODFAKRWDRRGTA-BYTJASKLSA-N 1 0 160.220 1.205 10 30 ADEERO CC#CCN[C@](CC)(C[NH3+])C1CC1 167783912 571927705 /nfs/dbraw/zinc/92/77/05/571927705.db2.gz WLJMFFDIXIGIME-LLVKDONJSA-N 1 0 180.295 1.117 10 30 ADEERO C=C(C)CC(=O)[C@@H]([NH3+])C(C)(C)C 122818745 571928028 /nfs/dbraw/zinc/92/80/28/571928028.db2.gz SJZDCGIMJQMTKT-SECBINFHSA-N 1 0 169.268 1.895 10 30 ADEERO C=CCC[NH2+][C@H](CN)CC(C)C 168647101 571928428 /nfs/dbraw/zinc/92/84/28/571928428.db2.gz LBKREQWDBGIYCD-JTQLQIEISA-N 1 0 170.300 1.526 10 30 ADEERO C=CCC1=C(C)[C@H]([NH2+]C)CC1=O 39405664 571927923 /nfs/dbraw/zinc/92/79/23/571927923.db2.gz MASQTXKFQKNGKD-SECBINFHSA-N 1 0 165.236 1.440 10 30 ADEERO CC(C)(C)CCCSC(N)=[NH+]N 300792159 571927935 /nfs/dbraw/zinc/92/79/35/571927935.db2.gz YLHRYZPJYHJNEG-UHFFFAOYSA-N 1 0 189.328 1.734 10 30 ADEERO CC#CC[NH2+]CCC[C@@H]1CCOC1 400586460 571927951 /nfs/dbraw/zinc/92/79/51/571927951.db2.gz NNUHAGLNEBJZIV-LLVKDONJSA-N 1 0 181.279 1.416 10 30 ADEERO C#CCCC(=O)[C@H]([NH3+])C(C)(C)C 122816048 571928013 /nfs/dbraw/zinc/92/80/13/571928013.db2.gz USFQNCOYTXCHFC-VIFPVBQESA-N 1 0 167.252 1.342 10 30 ADEERO C[C@H](C[NH2+]CC#CC(C)(C)C)N(C)C 300791023 571928014 /nfs/dbraw/zinc/92/80/14/571928014.db2.gz TYNAUGRKVMGRDR-LLVKDONJSA-N 1 0 196.338 1.576 10 30 ADEERO C=CCC1=C(C)[C@@H]([NH+](C)C)CC1=O 39405651 571928070 /nfs/dbraw/zinc/92/80/70/571928070.db2.gz ZKGWKLCPXHGLPM-JTQLQIEISA-N 1 0 179.263 1.782 10 30 ADEERO C=C(C)CC[NH2+][C@@H]1CCC(=O)N(C)C1 168995268 571928227 /nfs/dbraw/zinc/92/82/27/571928227.db2.gz GMLAXEBCRHTGMF-SNVBAGLBSA-N 1 0 196.294 1.163 10 30 ADEERO CC(C)(C)C#CC[NH2+]C(C)(C)CCO 300793137 571928443 /nfs/dbraw/zinc/92/84/43/571928443.db2.gz UFLQVECUXRXJFZ-UHFFFAOYSA-N 1 0 197.322 1.787 10 30 ADEERO C=CCCOC1C[C@@H]2CC[C@H](C1)[NH2+]2 300791851 571928362 /nfs/dbraw/zinc/92/83/62/571928362.db2.gz URFVGXZHHQAPKI-ZACCUICWSA-N 1 0 181.279 1.862 10 30 ADEERO CC#CC[NH2+]CCC[C@H]1CCOC1 400586461 571928483 /nfs/dbraw/zinc/92/84/83/571928483.db2.gz NNUHAGLNEBJZIV-NSHDSACASA-N 1 0 181.279 1.416 10 30 ADEERO CC#CCn1ccc(C[NH2+]CC)c1 300791835 571928511 /nfs/dbraw/zinc/92/85/11/571928511.db2.gz UQGXIWXZNSNGCY-UHFFFAOYSA-N 1 0 176.263 1.621 10 30 ADEERO C=CCC[NH2+][C@@]1(CN)CCO[C@H](C)C1 168631698 571928834 /nfs/dbraw/zinc/92/88/34/571928834.db2.gz ZGAKAUUZLBESIA-MNOVXSKESA-N 1 0 198.310 1.049 10 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/nfs/dbraw/zinc/93/68/72/571936872.db2.gz GHFBRVZSNLWZMC-VIFPVBQESA-N 1 0 169.268 1.313 10 30 ADEERO [NH2+]=CNC1CCCCC1 39427022 571930359 /nfs/dbraw/zinc/93/03/59/571930359.db2.gz JVSUCVXIROSUIU-UHFFFAOYSA-N 1 0 126.203 1.306 10 30 ADEERO C[NH2+]CCCN(C)CC#CC(C)(C)C 300784526 571930697 /nfs/dbraw/zinc/93/06/97/571930697.db2.gz SBRZJTTYVDNUOH-UHFFFAOYSA-N 1 0 196.338 1.577 10 30 ADEERO C=C[C@H](C)[NH2+]C[C@]1(C)CCCO1 235504788 571937457 /nfs/dbraw/zinc/93/74/57/571937457.db2.gz LMUVIRNJDZUWOP-UWVGGRQHSA-N 1 0 169.268 1.720 10 30 ADEERO C=C[C@H](C)[NH2+]CC1(N(C)C)CCC1 235500648 571937983 /nfs/dbraw/zinc/93/79/83/571937983.db2.gz DUOXGSJQXNGDMV-JTQLQIEISA-N 1 0 182.311 1.635 10 30 ADEERO C[N@H+](CCC1CCCC1)C/C(N)=N/O 300784539 571931024 /nfs/dbraw/zinc/93/10/24/571931024.db2.gz SBWPNCSQICKHJZ-UHFFFAOYSA-N 1 0 199.298 1.245 10 30 ADEERO N#Cc1cc(F)c(/C=C\C[NH3+])cc1F 687681512 571931274 /nfs/dbraw/zinc/93/12/74/571931274.db2.gz CLTQGYRPUXKDJX-UPHRSURJSA-N 1 0 194.184 1.808 10 30 ADEERO C[C@H](O)CC[N@H+](C)CC#CC(C)(C)C 300798009 571932440 /nfs/dbraw/zinc/93/24/40/571932440.db2.gz UYTVNUFMVBVBFA-NSHDSACASA-N 1 0 197.322 1.739 10 30 ADEERO C=C[C@H](C)[NH2+]C[C@@H](O)CC(C)(C)C 235511096 571939903 /nfs/dbraw/zinc/93/99/03/571939903.db2.gz URRHQOULVKIKCE-UWVGGRQHSA-N 1 0 185.311 1.948 10 30 ADEERO N#Cc1cc(/C=C\C[NH3+])c(F)cc1F 687681520 571931484 /nfs/dbraw/zinc/93/14/84/571931484.db2.gz ZMUJFYNHSLRZSF-UPHRSURJSA-N 1 0 194.184 1.808 10 30 ADEERO C#CC[C@H](CC)[NH2+][C@H]1CCOC[C@H]1C 300789266 571931557 /nfs/dbraw/zinc/93/15/57/571931557.db2.gz BNZBSPOADKHFBY-WOPDTQHZSA-N 1 0 195.306 1.803 10 30 ADEERO C[C@H](O)CC[NH2+]CC#CC(C)(C)C 300798246 571931598 /nfs/dbraw/zinc/93/15/98/571931598.db2.gz VBEJHTPDWQMSTG-JTQLQIEISA-N 1 0 183.295 1.396 10 30 ADEERO C[C@H](CN(C)C)[NH2+]CC#CC(C)(C)C 300789638 571931623 /nfs/dbraw/zinc/93/16/23/571931623.db2.gz SWCWVUDCZFNQPG-LLVKDONJSA-N 1 0 196.338 1.576 10 30 ADEERO C[C@@H](O)CC[NH2+]CC#CC(C)(C)C 300798249 571931724 /nfs/dbraw/zinc/93/17/24/571931724.db2.gz VBEJHTPDWQMSTG-SNVBAGLBSA-N 1 0 183.295 1.396 10 30 ADEERO CO[C@@H]1CC[C@H]([NH2+]CCCC#N)C1 234750539 571932193 /nfs/dbraw/zinc/93/21/93/571932193.db2.gz LBILYPNKYVNKAJ-VHSXEESVSA-N 1 0 182.267 1.447 10 30 ADEERO CC#CCC[C@@H]([NH3+])CC[C@@H]1CCOC1 401338993 571932325 /nfs/dbraw/zinc/93/23/25/571932325.db2.gz JFTXHKRJILXNSZ-VXGBXAGGSA-N 1 0 195.306 1.934 10 30 ADEERO C=C(C)C[NH2+][C@H]1CC[C@@H](OC)C1 234749011 571932351 /nfs/dbraw/zinc/93/23/51/571932351.db2.gz JPKUZMFZDYBVHH-VHSXEESVSA-N 1 0 169.268 1.720 10 30 ADEERO C#CCCCC(=O)[C@H](C)[C@@H](C)[NH3+] 122939196 571932358 /nfs/dbraw/zinc/93/23/58/571932358.db2.gz MBWMWPGSXIRKNG-RKDXNWHRSA-N 1 0 167.252 1.342 10 30 ADEERO C=CCNc1[nH+]ccn1C[C@H](C)OC 234751492 571932488 /nfs/dbraw/zinc/93/24/88/571932488.db2.gz MKDSHNWFKWHSEA-VIFPVBQESA-N 1 0 195.266 1.516 10 30 ADEERO C#CC[NH2+]C[C@H](C)N1CCC[C@@H](F)C1 689390773 571932571 /nfs/dbraw/zinc/93/25/71/571932571.db2.gz KCAPCRBTHKQVLX-WDEREUQCSA-N 1 0 198.285 1.032 10 30 ADEERO C[C@@H](O)CC[N@H+](C)CC#CC(C)(C)C 300798006 571932581 /nfs/dbraw/zinc/93/25/81/571932581.db2.gz UYTVNUFMVBVBFA-LLVKDONJSA-N 1 0 197.322 1.739 10 30 ADEERO C=CCCC(=O)[C@H](C)[C@H](C)[NH3+] 122904377 571932617 /nfs/dbraw/zinc/93/26/17/571932617.db2.gz MCOJIFFHIWQGJE-SFYZADRCSA-N 1 0 155.241 1.505 10 30 ADEERO C/N=C/c1ccc(OC)c([N+](=O)[O-])c1 39616628 571932647 /nfs/dbraw/zinc/93/26/47/571932647.db2.gz LQFCTSINKNWEML-UXBLZVDNSA-N 1 0 194.190 1.652 10 30 ADEERO CC#CCC[NH2+][C@H]1CC[C@@H](OC)C1 234749594 571932649 /nfs/dbraw/zinc/93/26/49/571932649.db2.gz BRUPOWKQRBXIEB-WDEREUQCSA-N 1 0 181.279 1.557 10 30 ADEERO C#CCC[NH2+][C@H]1CC[C@@H](OC)C1 234749537 571932922 /nfs/dbraw/zinc/93/29/22/571932922.db2.gz IWDXYIPANIQYST-VHSXEESVSA-N 1 0 167.252 1.167 10 30 ADEERO C=CCn1ccc(C[NH2+]CCOC)c1 300800568 571933070 /nfs/dbraw/zinc/93/30/70/571933070.db2.gz WFUPIYJAMZKAJC-UHFFFAOYSA-N 1 0 194.278 1.410 10 30 ADEERO C[NH2+]C[C@@H](C)C(=O)CC#CC(C)(C)C 300798234 571933188 /nfs/dbraw/zinc/93/31/88/571933188.db2.gz VAXFAUVSBODUEL-SNVBAGLBSA-N 1 0 195.306 1.851 10 30 ADEERO CC#CCN[C@@H](C[NH3+])CCCC 167776218 571936877 /nfs/dbraw/zinc/93/68/77/571936877.db2.gz RZESUDNGIZPCDN-SNVBAGLBSA-N 1 0 168.284 1.117 10 30 ADEERO CO[C@@H]1CC[C@H]([NH2+]CCCCC#N)C1 234751011 571933212 /nfs/dbraw/zinc/93/32/12/571933212.db2.gz OKAUBXCZXODZPP-WDEREUQCSA-N 1 0 196.294 1.837 10 30 ADEERO CC#CCC[C@@H]([NH3+])CC[C@H]1CCOC1 401338989 571933319 /nfs/dbraw/zinc/93/33/19/571933319.db2.gz JFTXHKRJILXNSZ-NWDGAFQWSA-N 1 0 195.306 1.934 10 30 ADEERO C#CC[C@H](CC)[NH2+][C@@H]1CCOC[C@H]1C 300789263 571933385 /nfs/dbraw/zinc/93/33/85/571933385.db2.gz BNZBSPOADKHFBY-GRYCIOLGSA-N 1 0 195.306 1.803 10 30 ADEERO C[NH2+]C[C@H](C)C(=O)CC#CC(C)(C)C 300798231 571933551 /nfs/dbraw/zinc/93/35/51/571933551.db2.gz VAXFAUVSBODUEL-JTQLQIEISA-N 1 0 195.306 1.851 10 30 ADEERO CC[C@@H](CC#N)[N@H+](C)CC[C@@H](C)O 219761270 571933662 /nfs/dbraw/zinc/93/36/62/571933662.db2.gz XLSBECLQACHNGR-ZJUUUORDSA-N 1 0 184.283 1.381 10 30 ADEERO C=CCCC(=O)[C@@H](C)[C@@H](C)[NH3+] 122903717 571933837 /nfs/dbraw/zinc/93/38/37/571933837.db2.gz MCOJIFFHIWQGJE-JGVFFNPUSA-N 1 0 155.241 1.505 10 30 ADEERO C[C@@H](CN(C)C)[NH2+]CC#CC(C)(C)C 300789641 571933943 /nfs/dbraw/zinc/93/39/43/571933943.db2.gz SWCWVUDCZFNQPG-NSHDSACASA-N 1 0 196.338 1.576 10 30 ADEERO C=CC[N@@H+](CC)Cc1[nH]cnc1C 687808886 571934002 /nfs/dbraw/zinc/93/40/02/571934002.db2.gz RQEJRNPJDFUGJT-UHFFFAOYSA-N 1 0 179.267 1.726 10 30 ADEERO C#C[C@@H](CC[C@@H]1CCOC1)[NH2+]CC 401347711 571934030 /nfs/dbraw/zinc/93/40/30/571934030.db2.gz NQMWUNQENBHFBY-MNOVXSKESA-N 1 0 181.279 1.414 10 30 ADEERO C#CCCCC(=O)[C@@H](C)[C@H](C)[NH3+] 122939406 571934300 /nfs/dbraw/zinc/93/43/00/571934300.db2.gz MBWMWPGSXIRKNG-IUCAKERBSA-N 1 0 167.252 1.342 10 30 ADEERO C=C(Cl)C[NH2+][C@H]1CC[C@@H](OC)C1 234749064 571934404 /nfs/dbraw/zinc/93/44/04/571934404.db2.gz FZGCMBNVGDJSFG-DTWKUNHWSA-N 1 0 189.686 1.896 10 30 ADEERO C#CC[NH2+]C[C@H](C)N1CCC[C@H](F)C1 689390772 571934448 /nfs/dbraw/zinc/93/44/48/571934448.db2.gz KCAPCRBTHKQVLX-QWRGUYRKSA-N 1 0 198.285 1.032 10 30 ADEERO CC#CCC[C@H]([NH3+])CC[C@H]1CCOC1 401338991 571934456 /nfs/dbraw/zinc/93/44/56/571934456.db2.gz JFTXHKRJILXNSZ-RYUDHWBXSA-N 1 0 195.306 1.934 10 30 ADEERO CCN(CC#CC(C)(C)C)CC[NH3+] 300803739 571936909 /nfs/dbraw/zinc/93/69/09/571936909.db2.gz JPCCGBWPWAXRDG-UHFFFAOYSA-N 1 0 182.311 1.317 10 30 ADEERO C#CC[C@H](CC)[NH2+][C@H]1CCOC[C@@H]1C 300789265 571934545 /nfs/dbraw/zinc/93/45/45/571934545.db2.gz BNZBSPOADKHFBY-SRVKXCTJSA-N 1 0 195.306 1.803 10 30 ADEERO CC#CCC[C@H]([NH3+])CC[C@@H]1CCOC1 401338988 571934612 /nfs/dbraw/zinc/93/46/12/571934612.db2.gz JFTXHKRJILXNSZ-NEPJUHHUSA-N 1 0 195.306 1.934 10 30 ADEERO C=CCOc1ncncc1C[NH2+]CC 300799936 571934827 /nfs/dbraw/zinc/93/48/27/571934827.db2.gz ASSKASGKWMQUBF-UHFFFAOYSA-N 1 0 193.250 1.151 10 30 ADEERO C[C@H](C#N)OCC[NH2+]C[C@H](C)C1CC1 388662225 571934943 /nfs/dbraw/zinc/93/49/43/571934943.db2.gz AKEIWQKYBKUVAH-VHSXEESVSA-N 1 0 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C[C@H](C#N)C[NH2+]CC1(O)CCCCC1 83466419 572222952 /nfs/dbraw/zinc/22/29/52/572222952.db2.gz WOVRINMFXDYXQN-SNVBAGLBSA-N 1 0 196.294 1.431 10 30 ADEERO C=C(C)C[NH2+]CC(O)(CC)CC 83465981 572222979 /nfs/dbraw/zinc/22/29/79/572222979.db2.gz JJOPVRLDDBOLBH-UHFFFAOYSA-N 1 0 171.284 1.703 10 30 ADEERO C#CCC[NH2+]CC1(O)CCC(C)CC1 83468935 572223059 /nfs/dbraw/zinc/22/30/59/572223059.db2.gz QXYHVELMFAJFBQ-UHFFFAOYSA-N 1 0 195.306 1.541 10 30 ADEERO C=CC[NH2+]C[C@@]1(O)CCC[C@H](C)C1 83469743 572223088 /nfs/dbraw/zinc/22/30/88/572223088.db2.gz FAOSDGGKWPZPAA-WDEREUQCSA-N 1 0 183.295 1.703 10 30 ADEERO C#C[C@H](C(C)C)N1CC[NH2+][C@@H](CC)C1 300716843 572223105 /nfs/dbraw/zinc/22/31/05/572223105.db2.gz GVHJOCYXWCMMFS-NWDGAFQWSA-N 1 0 194.322 1.328 10 30 ADEERO C=CC[NH2+]C[C@]1(O)CCC[C@H](C)C1 83469747 572223200 /nfs/dbraw/zinc/22/32/00/572223200.db2.gz FAOSDGGKWPZPAA-QWRGUYRKSA-N 1 0 183.295 1.703 10 30 ADEERO C=C(C)C[NH2+]CC1(O)CCCCC1 83466404 572223215 /nfs/dbraw/zinc/22/32/15/572223215.db2.gz VHDXWZXKUZZHBA-UHFFFAOYSA-N 1 0 183.295 1.847 10 30 ADEERO C[C@@H]1CCC[C@@](O)(C[NH2+]CCC#N)C1 83469406 572223289 /nfs/dbraw/zinc/22/32/89/572223289.db2.gz NUTLELKAJQXIJH-MNOVXSKESA-N 1 0 196.294 1.431 10 30 ADEERO C[C@H]1CCC[C@](O)(C[NH2+]CCC#N)C1 83469404 572223336 /nfs/dbraw/zinc/22/33/36/572223336.db2.gz NUTLELKAJQXIJH-WDEREUQCSA-N 1 0 196.294 1.431 10 30 ADEERO CCC(O)(CC)C[NH2+]C[C@H](C)C#N 83466028 572223395 /nfs/dbraw/zinc/22/33/95/572223395.db2.gz BKTXMDGJPSSHMN-SECBINFHSA-N 1 0 184.283 1.287 10 30 ADEERO CC[C@@H](CC#N)[NH2+]CC(O)(CC)CC 83465939 572223869 /nfs/dbraw/zinc/22/38/69/572223869.db2.gz LAIOPMMLKBHBGE-JTQLQIEISA-N 1 0 198.310 1.819 10 30 ADEERO N#CCC[NH2+]CC1(O)CCCCCC1 83470879 572223558 /nfs/dbraw/zinc/22/35/58/572223558.db2.gz ZGNOGGLFEGMSMA-UHFFFAOYSA-N 1 0 196.294 1.575 10 30 ADEERO C=C(Cl)C[NH2+]C[C@@](C)(O)CC 83465757 572223591 /nfs/dbraw/zinc/22/35/91/572223591.db2.gz FRSVPJVRVNHOFD-QMMMGPOBSA-N 1 0 177.675 1.490 10 30 ADEERO CC(C)(C)C#CCn1ccc(C[NH3+])c1 300755776 572223691 /nfs/dbraw/zinc/22/36/91/572223691.db2.gz MCGUTZZYNYZNGL-UHFFFAOYSA-N 1 0 190.290 1.996 10 30 ADEERO C#CCC[N@@H+]1C[C@@H]2CCC[C@@H]21 687797546 572223759 /nfs/dbraw/zinc/22/37/59/572223759.db2.gz OGHDOGSHVSQSRZ-UWVGGRQHSA-N 1 0 149.237 1.494 10 30 ADEERO C#CCC[NH2+]C[C@]1(O)CCC[C@H](C)C1 83469459 572223810 /nfs/dbraw/zinc/22/38/10/572223810.db2.gz NCGPVCRIXJMUGB-RYUDHWBXSA-N 1 0 195.306 1.541 10 30 ADEERO C#C[C@H]([NH2+]C[C@@H]1CC[C@@H](C)O1)C(C)C 300985943 572224856 /nfs/dbraw/zinc/22/48/56/572224856.db2.gz UVRQJSSQDWSEAG-WOPDTQHZSA-N 1 0 195.306 1.801 10 30 ADEERO CC(C)(C)C#CCC(=O)[C@H]1CC[NH2+]C1 300722636 572223972 /nfs/dbraw/zinc/22/39/72/572223972.db2.gz CFEBOXYBXBREBT-JTQLQIEISA-N 1 0 193.290 1.605 10 30 ADEERO C[C@@H]1CCC[C@](O)(C[NH2+]CCC#N)C1 83469402 572224007 /nfs/dbraw/zinc/22/40/07/572224007.db2.gz NUTLELKAJQXIJH-GHMZBOCLSA-N 1 0 196.294 1.431 10 30 ADEERO C=C(C)C[NH2+]Cc1cc(OC)n(C)n1 300985411 572224858 /nfs/dbraw/zinc/22/48/58/572224858.db2.gz SZDSIMKJULVMHW-UHFFFAOYSA-N 1 0 195.266 1.094 10 30 ADEERO C[C@H]1CCC[C@@](O)(C[NH2+]CCC#N)C1 83469408 572224015 /nfs/dbraw/zinc/22/40/15/572224015.db2.gz NUTLELKAJQXIJH-QWRGUYRKSA-N 1 0 196.294 1.431 10 30 ADEERO CC1CCC(O)(C[NH2+]CCC#N)CC1 83468914 572224859 /nfs/dbraw/zinc/22/48/59/572224859.db2.gz FHUBACWRWIWVSZ-UHFFFAOYSA-N 1 0 196.294 1.431 10 30 ADEERO O=CCC[N@@H+]1CC[C@H](C2CC2)C1 400053231 572224047 /nfs/dbraw/zinc/22/40/47/572224047.db2.gz VLOMPRWESFZRLN-JTQLQIEISA-N 1 0 167.252 1.307 10 30 ADEERO CC(C)(C)C#CC[C@@H]([NH3+])c1nnc[nH]1 300751530 572224065 /nfs/dbraw/zinc/22/40/65/572224065.db2.gz LFZQRIDUQHUNAJ-MRVPVSSYSA-N 1 0 192.266 1.244 10 30 ADEERO C#C[C@@H]([NH2+]CCCCOC)C(C)C 300985985 572224082 /nfs/dbraw/zinc/22/40/82/572224082.db2.gz UWJOKVMJQUGGJL-LLVKDONJSA-N 1 0 183.295 1.660 10 30 ADEERO CC(C)(C)C#CCN[C@@]1(C)CC[NH2+]C1 300731822 572224125 /nfs/dbraw/zinc/22/41/25/572224125.db2.gz FWVQYYDBXXXZLN-LBPRGKRZSA-N 1 0 194.322 1.378 10 30 ADEERO C#C[C@H]([NH2+]CC[C@@H]1CCCO1)C(C)C 300985238 572224239 /nfs/dbraw/zinc/22/42/39/572224239.db2.gz UUWDTNRGAGLKSW-RYUDHWBXSA-N 1 0 195.306 1.803 10 30 ADEERO C[C@H](O)C(C)(C)[NH2+]CC#CC(C)(C)C 300756878 572224245 /nfs/dbraw/zinc/22/42/45/572224245.db2.gz MVLOBMXGVFPBQC-JTQLQIEISA-N 1 0 197.322 1.785 10 30 ADEERO C=CC[NH2+]CC(O)(CC)CC 83465980 572224276 /nfs/dbraw/zinc/22/42/76/572224276.db2.gz IAMYJXFJMDRQQR-UHFFFAOYSA-N 1 0 157.257 1.313 10 30 ADEERO C=CCCC[NH2+]CC(C)(C)O 83464548 572224278 /nfs/dbraw/zinc/22/42/78/572224278.db2.gz NZRHCMXWEWXJFO-UHFFFAOYSA-N 1 0 157.257 1.313 10 30 ADEERO C#CCC[NH2+]C[C@@]1(O)CCC[C@H](C)C1 83469456 572224290 /nfs/dbraw/zinc/22/42/90/572224290.db2.gz NCGPVCRIXJMUGB-NWDGAFQWSA-N 1 0 195.306 1.541 10 30 ADEERO C=C[C@H](C)[NH2+][C@@H]1C[C@@H]1CC 234120165 572224301 /nfs/dbraw/zinc/22/43/01/572224301.db2.gz URPCJFQJZCLAQO-XHNCKOQMSA-N 1 0 139.242 1.949 10 30 ADEERO C=CC[NH2+]CC1(O)CCC(C)CC1 83469136 572224346 /nfs/dbraw/zinc/22/43/46/572224346.db2.gz PJKIGHCHFCKBNL-UHFFFAOYSA-N 1 0 183.295 1.703 10 30 ADEERO CC[C@@](C)(O)C[NH2+]CCCC#N 83465658 572224401 /nfs/dbraw/zinc/22/44/01/572224401.db2.gz KVKRVYSSBTTXQQ-SECBINFHSA-N 1 0 170.256 1.041 10 30 ADEERO C=C(Cl)C[NH2+]CC1(O)CCCC1 83466340 572224441 /nfs/dbraw/zinc/22/44/41/572224441.db2.gz QHJDBTOAEKUJQG-UHFFFAOYSA-N 1 0 189.686 1.634 10 30 ADEERO C=C(Cl)C[NH2+]C[C@](C)(O)CC 83465758 572224448 /nfs/dbraw/zinc/22/44/48/572224448.db2.gz FRSVPJVRVNHOFD-MRVPVSSYSA-N 1 0 177.675 1.490 10 30 ADEERO C[C@@H](C#N)C[NH2+]CC1(O)CCCCC1 83466420 572224693 /nfs/dbraw/zinc/22/46/93/572224693.db2.gz WOVRINMFXDYXQN-JTQLQIEISA-N 1 0 196.294 1.431 10 30 ADEERO C[C@H]1CC(C)(C)[N@@H+]1CCC#N 687797542 572224768 /nfs/dbraw/zinc/22/47/68/572224768.db2.gz MCKJILFOMLEFIR-QMMMGPOBSA-N 1 0 152.241 1.773 10 30 ADEERO C=CC[NH2+]C[C@@]1(O)CCC[C@@H](C)C1 83469742 572224786 /nfs/dbraw/zinc/22/47/86/572224786.db2.gz FAOSDGGKWPZPAA-GHMZBOCLSA-N 1 0 183.295 1.703 10 30 ADEERO C#CCC[N@@H+]1C[C@H]2CCC[C@H]21 687797545 572224798 /nfs/dbraw/zinc/22/47/98/572224798.db2.gz OGHDOGSHVSQSRZ-NXEZZACHSA-N 1 0 149.237 1.494 10 30 ADEERO C=CC[NH2+]C[C@]1(O)CCC[C@@H](C)C1 83469744 572225064 /nfs/dbraw/zinc/22/50/64/572225064.db2.gz FAOSDGGKWPZPAA-MNOVXSKESA-N 1 0 183.295 1.703 10 30 ADEERO C#CCC[NH2+]CC(O)(CC)CC 83465806 572225231 /nfs/dbraw/zinc/22/52/31/572225231.db2.gz IPLCYSVOKKXSFB-UHFFFAOYSA-N 1 0 169.268 1.150 10 30 ADEERO CCC(O)(CC)C[NH2+]C[C@@H](C)C#N 83466027 572225123 /nfs/dbraw/zinc/22/51/23/572225123.db2.gz BKTXMDGJPSSHMN-VIFPVBQESA-N 1 0 184.283 1.287 10 30 ADEERO C=CCCCN(C)CC(C)(C)[NH2+]C 220265570 572225150 /nfs/dbraw/zinc/22/51/50/572225150.db2.gz FFYBUIUBIGGNGN-UHFFFAOYSA-N 1 0 184.327 1.882 10 30 ADEERO CC[C@H](CC#N)[NH2+]CC(O)(CC)CC 83465940 572225196 /nfs/dbraw/zinc/22/51/96/572225196.db2.gz LAIOPMMLKBHBGE-SNVBAGLBSA-N 1 0 198.310 1.819 10 30 ADEERO CC#CC[C@@H]([NH3+])[C@@H](C)CSC 300763829 572225215 /nfs/dbraw/zinc/22/52/15/572225215.db2.gz NOOVSFFYQRWLIH-DTWKUNHWSA-N 1 0 171.309 1.726 10 30 ADEERO C#CC[C@@H](CSCC)[NH2+]CC 83485673 572226522 /nfs/dbraw/zinc/22/65/22/572226522.db2.gz IGAPTXNTSJUPJX-VIFPVBQESA-N 1 0 171.309 1.741 10 30 ADEERO C#C[C@@H]([NH2+]CC[C@@H]1CCCO1)C(C)C 300985236 572225416 /nfs/dbraw/zinc/22/54/16/572225416.db2.gz UUWDTNRGAGLKSW-NWDGAFQWSA-N 1 0 195.306 1.803 10 30 ADEERO CC#CC[C@H]([NH3+])CSCCC 83487398 572225430 /nfs/dbraw/zinc/22/54/30/572225430.db2.gz LSBZCOSOYNVVMR-VIFPVBQESA-N 1 0 171.309 1.870 10 30 ADEERO COc1ccc(/C=N/CCC[NH3+])cc1 221308426 572225478 /nfs/dbraw/zinc/22/54/78/572225478.db2.gz OVVUSARNWUYTII-UKTHLTGXSA-N 1 0 192.262 1.463 10 30 ADEERO CC[C@H]1C[N@H+](C)CCCN1[C@@H](C)C#N 234113949 572225490 /nfs/dbraw/zinc/22/54/90/572225490.db2.gz HDYJSTBRAZVMLS-QWRGUYRKSA-N 1 0 195.310 1.315 10 30 ADEERO CC(C)(C)C#CCSCC1C[NH2+]C1 300719439 572225536 /nfs/dbraw/zinc/22/55/36/572225536.db2.gz AXUXGPBMVWRKON-UHFFFAOYSA-N 1 0 197.347 1.989 10 30 ADEERO O=CCC[N@@H+]1CC[C@@H](C2CC2)C1 400053232 572225551 /nfs/dbraw/zinc/22/55/51/572225551.db2.gz VLOMPRWESFZRLN-SNVBAGLBSA-N 1 0 167.252 1.307 10 30 ADEERO C#C[C@@H]([NH2+]Cc1ccncn1)C(C)C 300985979 572225611 /nfs/dbraw/zinc/22/56/11/572225611.db2.gz UWGHLQJIZORLKT-LLVKDONJSA-N 1 0 189.262 1.224 10 30 ADEERO C#C[C@H]([NH2+]CC[C@H]1CCCO1)C(C)C 300985235 572225635 /nfs/dbraw/zinc/22/56/35/572225635.db2.gz UUWDTNRGAGLKSW-NEPJUHHUSA-N 1 0 195.306 1.803 10 30 ADEERO C=CCn1ccc(C[NH2+]C)c1 300727713 572225666 /nfs/dbraw/zinc/22/56/66/572225666.db2.gz CJLXYEGEDHXGAN-UHFFFAOYSA-N 1 0 150.225 1.394 10 30 ADEERO C#CCC[C@H](CSCC)[NH2+]C 83485505 572225704 /nfs/dbraw/zinc/22/57/04/572225704.db2.gz DRJCVTBSKRNBCD-SECBINFHSA-N 1 0 171.309 1.741 10 30 ADEERO C#CC[C@H](CSCC)[NH2+]CC 83485674 572225716 /nfs/dbraw/zinc/22/57/16/572225716.db2.gz IGAPTXNTSJUPJX-SECBINFHSA-N 1 0 171.309 1.741 10 30 ADEERO C#C[C@H]([NH2+]CCCC#N)C(C)C 300989294 572225876 /nfs/dbraw/zinc/22/58/76/572225876.db2.gz VHLUKYSPIUGLKB-JTQLQIEISA-N 1 0 164.252 1.538 10 30 ADEERO C[C@@H](CO)[N@H+](C)CC#CC(C)(C)C 300723440 572225889 /nfs/dbraw/zinc/22/58/89/572225889.db2.gz CLOGWTRSZOOGJL-JTQLQIEISA-N 1 0 183.295 1.349 10 30 ADEERO C=CCN1CC[C@@H]([NH3+])[C@]1(C)C1(C)CC1 711984643 572225905 /nfs/dbraw/zinc/22/59/05/572225905.db2.gz MTVQMEFKFMYACE-ZYHUDNBSSA-N 1 0 194.322 1.764 10 30 ADEERO C#CCC[C@@H]([NH3+])CSCCC 83487301 572225950 /nfs/dbraw/zinc/22/59/50/572225950.db2.gz OKCSOYHBINEPIX-SECBINFHSA-N 1 0 171.309 1.870 10 30 ADEERO C1CC[C@H]2C[N@H+](C[C@@H]3CO3)CC[C@@H]2C1 36809915 572226010 /nfs/dbraw/zinc/22/60/10/572226010.db2.gz UHFJDGYACZZOAO-SDDRHHMPSA-N 1 0 195.306 1.897 10 30 ADEERO C#CCC[N@@H+]1C[C@H]2CCC[C@@H]21 687797548 572226017 /nfs/dbraw/zinc/22/60/17/572226017.db2.gz OGHDOGSHVSQSRZ-ZJUUUORDSA-N 1 0 149.237 1.494 10 30 ADEERO C#CC[N@H+]1CC[C@@H](OC)C[C@H]1C 300752083 572226026 /nfs/dbraw/zinc/22/60/26/572226026.db2.gz HLLMMBDJPXILMI-NXEZZACHSA-N 1 0 167.252 1.119 10 30 ADEERO C#C[C@H]([NH2+]Cc1ccncn1)C(C)C 300985980 572226046 /nfs/dbraw/zinc/22/60/46/572226046.db2.gz UWGHLQJIZORLKT-NSHDSACASA-N 1 0 189.262 1.224 10 30 ADEERO CC#CC[C@H](CSCC)[NH2+]C 83485601 572226147 /nfs/dbraw/zinc/22/61/47/572226147.db2.gz VXLJXUJURDBJGT-SECBINFHSA-N 1 0 171.309 1.741 10 30 ADEERO CC#CC[C@@H]([NH3+])CSCCC 83487397 572226167 /nfs/dbraw/zinc/22/61/67/572226167.db2.gz LSBZCOSOYNVVMR-SECBINFHSA-N 1 0 171.309 1.870 10 30 ADEERO C=C(CC(C)(C)C)C(=O)OCC[NH3+] 113143673 572226505 /nfs/dbraw/zinc/22/65/05/572226505.db2.gz ZMWDWNQXKCTIBL-UHFFFAOYSA-N 1 0 185.267 1.481 10 30 ADEERO C#CC[C@H](CSCCC)[NH2+]C 83487469 572226452 /nfs/dbraw/zinc/22/64/52/572226452.db2.gz LSEUZCMHZDGQCP-SECBINFHSA-N 1 0 171.309 1.741 10 30 ADEERO C=CCN1CC[C@@H]([NH3+])[C@@]1(C)C1(C)CC1 711984505 572226453 /nfs/dbraw/zinc/22/64/53/572226453.db2.gz MTVQMEFKFMYACE-PWSUYJOCSA-N 1 0 194.322 1.764 10 30 ADEERO C#CC[C@@H](CSCCC)[NH2+]C 83487470 572226883 /nfs/dbraw/zinc/22/68/83/572226883.db2.gz LSEUZCMHZDGQCP-VIFPVBQESA-N 1 0 171.309 1.741 10 30 ADEERO C=C[C@@H](C)[NH2+]C[C@@H](C)N1CCCC1 235200741 572226951 /nfs/dbraw/zinc/22/69/51/572226951.db2.gz LNCMKPUARMDSAZ-GHMZBOCLSA-N 1 0 182.311 1.635 10 30 ADEERO C#CCC[C@@H](CSCC)[NH2+]C 83485506 572227041 /nfs/dbraw/zinc/22/70/41/572227041.db2.gz DRJCVTBSKRNBCD-VIFPVBQESA-N 1 0 171.309 1.741 10 30 ADEERO C#CCC[C@H]([NH3+])CSCCC 83487302 572227103 /nfs/dbraw/zinc/22/71/03/572227103.db2.gz OKCSOYHBINEPIX-VIFPVBQESA-N 1 0 171.309 1.870 10 30 ADEERO C#C[C@H]([NH2+]CCCCC#N)C(C)C 300990323 572229233 /nfs/dbraw/zinc/22/92/33/572229233.db2.gz VNFCTJBJDNLQHZ-NSHDSACASA-N 1 0 178.279 1.928 10 30 ADEERO C=CC[NH2+]CCC[C@@H]1CCCO1 83525990 572227580 /nfs/dbraw/zinc/22/75/80/572227580.db2.gz DPQMWAAGGJWEMW-SNVBAGLBSA-N 1 0 169.268 1.721 10 30 ADEERO C[C@@H](CC#N)[N@H+](C)CC1(O)CCC1 687713378 572227608 /nfs/dbraw/zinc/22/76/08/572227608.db2.gz MPRGHNUCNBJCKY-VIFPVBQESA-N 1 0 182.267 1.135 10 30 ADEERO CC(C)(C)C#CC[NH2+][C@H]1CCCOC1 300718840 572227631 /nfs/dbraw/zinc/22/76/31/572227631.db2.gz ANZOAUDKDPCMFZ-NSHDSACASA-N 1 0 195.306 1.805 10 30 ADEERO C#CCN1CC[C@H]([NH3+])[C@H]1C(C)(C)CC 711988750 572227653 /nfs/dbraw/zinc/22/76/53/572227653.db2.gz FYIDTHZBRQGNIO-QWRGUYRKSA-N 1 0 194.322 1.457 10 30 ADEERO C#CCN1CC[C@H]([NH3+])[C@@H]1C(C)(C)CC 711988752 572227687 /nfs/dbraw/zinc/22/76/87/572227687.db2.gz FYIDTHZBRQGNIO-WDEREUQCSA-N 1 0 194.322 1.457 10 30 ADEERO C#CC[NH2+][C@@H]1C[C@H](OCC)[C@]1(C)CC 83532219 572227695 /nfs/dbraw/zinc/22/76/95/572227695.db2.gz VLWHUKBIKYEIDR-GRYCIOLGSA-N 1 0 195.306 1.803 10 30 ADEERO C[C@H]([NH3+])CC/N=C/c1ccccc1 221497863 572227968 /nfs/dbraw/zinc/22/79/68/572227968.db2.gz AWESUPHJJNVNEW-YWEFTTLKSA-N 1 0 176.263 1.843 10 30 ADEERO C#CCN1CC[C@@H]([NH3+])[C@H]1C(C)(C)CC 711988148 572228118 /nfs/dbraw/zinc/22/81/18/572228118.db2.gz FYIDTHZBRQGNIO-MNOVXSKESA-N 1 0 194.322 1.457 10 30 ADEERO C=CCC(=O)C[C@@H](C)CC[NH3+] 393365613 572228131 /nfs/dbraw/zinc/22/81/31/572228131.db2.gz AXEQYNBKBSDAPH-QMMMGPOBSA-N 1 0 155.241 1.507 10 30 ADEERO C#CCN1CC[C@@H]([NH3+])[C@@H]1C(C)(C)CC 711988147 572228159 /nfs/dbraw/zinc/22/81/59/572228159.db2.gz FYIDTHZBRQGNIO-GHMZBOCLSA-N 1 0 194.322 1.457 10 30 ADEERO C=C(C)[C@@H]([NH3+])[C@@H](C)CSC 300746675 572228262 /nfs/dbraw/zinc/22/82/62/572228262.db2.gz DAGYTLKNDXYNGI-JGVFFNPUSA-N 1 0 159.298 1.889 10 30 ADEERO CC(C)(C)C#CCC(=O)C1(C[NH3+])CC1 300736760 572228292 /nfs/dbraw/zinc/22/82/92/572228292.db2.gz HIXPVZILXMNMOJ-UHFFFAOYSA-N 1 0 193.290 1.734 10 30 ADEERO C#CC[NH2+]CCC[C@@H]1CCCO1 83525988 572228303 /nfs/dbraw/zinc/22/83/03/572228303.db2.gz BIJJEVKHHUIDPE-SNVBAGLBSA-N 1 0 167.252 1.168 10 30 ADEERO C=C[C@@H](C)[NH2+]C1(CO)CCCCC1 235202960 572228432 /nfs/dbraw/zinc/22/84/32/572228432.db2.gz HRXAWQQGQHAJEH-SNVBAGLBSA-N 1 0 183.295 1.846 10 30 ADEERO C[C@H](CC#N)[N@H+](C)CC1(O)CCC1 687713377 572228439 /nfs/dbraw/zinc/22/84/39/572228439.db2.gz MPRGHNUCNBJCKY-SECBINFHSA-N 1 0 182.267 1.135 10 30 ADEERO C#CC[NH2+]CCC[C@H]1CCCO1 83525989 572228557 /nfs/dbraw/zinc/22/85/57/572228557.db2.gz BIJJEVKHHUIDPE-JTQLQIEISA-N 1 0 167.252 1.168 10 30 ADEERO C#CCC[N@@H+]1CCC12CCC2 687797676 572228511 /nfs/dbraw/zinc/22/85/11/572228511.db2.gz LOWDCPUQUIGVTO-UHFFFAOYSA-N 1 0 149.237 1.638 10 30 ADEERO C[C@@H]1CC(C)(C)[N@@H+]1CCC#N 687797541 572228525 /nfs/dbraw/zinc/22/85/25/572228525.db2.gz MCKJILFOMLEFIR-MRVPVSSYSA-N 1 0 152.241 1.773 10 30 ADEERO C#CC[NH2+][C@@H]1C[C@H](OCC)[C@@]1(C)CC 83532220 572228569 /nfs/dbraw/zinc/22/85/69/572228569.db2.gz VLWHUKBIKYEIDR-WOPDTQHZSA-N 1 0 195.306 1.803 10 30 ADEERO CC(C)(C)C#CC[C@@H]([NH3+])[C@H]1CCCO1 300734974 572228675 /nfs/dbraw/zinc/22/86/75/572228675.db2.gz GWMNBMQOHUMWOM-GHMZBOCLSA-N 1 0 195.306 1.932 10 30 ADEERO CCCN/C(CC[C@H]1CCCO1)=[NH+]\N 83525295 572228721 /nfs/dbraw/zinc/22/87/21/572228721.db2.gz VPKQDMUYQBRYJA-SECBINFHSA-N 1 0 199.298 1.217 10 30 ADEERO CCCN/C(CC[C@@H]1CCCO1)=[NH+]\N 83525294 572229016 /nfs/dbraw/zinc/22/90/16/572229016.db2.gz VPKQDMUYQBRYJA-VIFPVBQESA-N 1 0 199.298 1.217 10 30 ADEERO CC(C)N/C(CC[C@@H]1CCCO1)=[NH+]\N 83525302 572229097 /nfs/dbraw/zinc/22/90/97/572229097.db2.gz MULHAUYMSYZAEL-VIFPVBQESA-N 1 0 199.298 1.216 10 30 ADEERO C#CC[C@@H]([NH3+])CSCC(C)C 83491735 572229139 /nfs/dbraw/zinc/22/91/39/572229139.db2.gz CFWXFENIWYOJAS-SECBINFHSA-N 1 0 171.309 1.726 10 30 ADEERO C#CC[C@@H](CSCC(C)C)[NH2+]C 83491949 572229142 /nfs/dbraw/zinc/22/91/42/572229142.db2.gz CMGVJNKAUIVCHU-JTQLQIEISA-N 1 0 185.336 1.987 10 30 ADEERO C#CC[C@H]([NH3+])CSCC(C)C 83491736 572229160 /nfs/dbraw/zinc/22/91/60/572229160.db2.gz CFWXFENIWYOJAS-VIFPVBQESA-N 1 0 171.309 1.726 10 30 ADEERO C=CCC(=O)C[C@H](C)CC[NH3+] 393365611 572229188 /nfs/dbraw/zinc/22/91/88/572229188.db2.gz AXEQYNBKBSDAPH-MRVPVSSYSA-N 1 0 155.241 1.507 10 30 ADEERO C=CC[NH2+]CCC[C@H]1CCCO1 83525991 572229285 /nfs/dbraw/zinc/22/92/85/572229285.db2.gz DPQMWAAGGJWEMW-JTQLQIEISA-N 1 0 169.268 1.721 10 30 ADEERO C=C(COCC)[C@H]([NH2+]C)c1cn[nH]c1 387496210 572229440 /nfs/dbraw/zinc/22/94/40/572229440.db2.gz BLYLNNMHDXLZGO-JTQLQIEISA-N 1 0 195.266 1.263 10 30 ADEERO C#C[C@@H](Nc1cc[nH+]c(N)c1)C(C)C 300934479 572229594 /nfs/dbraw/zinc/22/95/94/572229594.db2.gz OBHDEYCOWKRCLK-SNVBAGLBSA-N 1 0 189.262 1.734 10 30 ADEERO C#CC[C@H](CSCC(C)C)[NH2+]C 83491948 572229631 /nfs/dbraw/zinc/22/96/31/572229631.db2.gz CMGVJNKAUIVCHU-SNVBAGLBSA-N 1 0 185.336 1.987 10 30 ADEERO CC(C)N/C(CC[C@H]1CCCO1)=[NH+]\N 83525303 572229674 /nfs/dbraw/zinc/22/96/74/572229674.db2.gz MULHAUYMSYZAEL-SECBINFHSA-N 1 0 199.298 1.216 10 30 ADEERO CN(CC#CC(C)(C)C)[C@H]1CC[NH2+]C1 300756714 572230014 /nfs/dbraw/zinc/23/00/14/572230014.db2.gz MTISUSVTQXJRTN-NSHDSACASA-N 1 0 194.322 1.330 10 30 ADEERO C#CC(C)(C)[NH2+]CCC[C@H]1CCCO1 83526774 572230624 /nfs/dbraw/zinc/23/06/24/572230624.db2.gz BDIWGGKEBZFIBU-NSHDSACASA-N 1 0 195.306 1.947 10 30 ADEERO CC[N@H+]1CC=C(CC#N)CC1 113175409 572230631 /nfs/dbraw/zinc/23/06/31/572230631.db2.gz QYAOIBUITNPKKS-UHFFFAOYSA-N 1 0 150.225 1.552 10 30 ADEERO C#CCC[N@H+]1CCCC[C@H](CO)C1 687713602 572230251 /nfs/dbraw/zinc/23/02/51/572230251.db2.gz NQLRFDSTHRVDSK-NSHDSACASA-N 1 0 181.279 1.104 10 30 ADEERO C=C(COC)C(=O)C[C@@H](C)CC[NH3+] 393367954 572230336 /nfs/dbraw/zinc/23/03/36/572230336.db2.gz DSOJFUVXYWZTGQ-QMMMGPOBSA-N 1 0 185.267 1.133 10 30 ADEERO C=CC[C@@H](Cc1csnn1)[NH2+]C 393368118 572230543 /nfs/dbraw/zinc/23/05/43/572230543.db2.gz HXSYPFZGZYMKNL-ZETCQYMHSA-N 1 0 183.280 1.245 10 30 ADEERO C#CCC[N@H+](CC=C)CCOC 393366252 572230555 /nfs/dbraw/zinc/23/05/55/572230555.db2.gz DXSKDXPHMQFBFY-UHFFFAOYSA-N 1 0 167.252 1.144 10 30 ADEERO C[NH2+]CC#Cc1cnn(C(C)C)c1F 300999674 572230713 /nfs/dbraw/zinc/23/07/13/572230713.db2.gz XROGGQGPMBXMNK-UHFFFAOYSA-N 1 0 195.241 1.174 10 30 ADEERO CCCC[C@H](C)/C(NCC)=[NH+]\N 300994603 572230737 /nfs/dbraw/zinc/23/07/37/572230737.db2.gz WRVWNEKOLFOTIV-QMMMGPOBSA-N 1 0 171.288 1.694 10 30 ADEERO CCCC[C@@H](C)/C(NCC)=[NH+]\N 300994602 572230863 /nfs/dbraw/zinc/23/08/63/572230863.db2.gz 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83526778 572231608 /nfs/dbraw/zinc/23/16/08/572231608.db2.gz DTLFGFFKRDLERZ-NSHDSACASA-N 1 0 181.279 1.559 10 30 ADEERO C=CC[NH2+]CCCC(C)(C)CO 393367824 572231692 /nfs/dbraw/zinc/23/16/92/572231692.db2.gz AYKYDFABMRULJR-UHFFFAOYSA-N 1 0 171.284 1.561 10 30 ADEERO C#CCC[NH2+]CCC[C@@H]1CCCO1 83526777 572231777 /nfs/dbraw/zinc/23/17/77/572231777.db2.gz DTLFGFFKRDLERZ-LLVKDONJSA-N 1 0 181.279 1.559 10 30 ADEERO C=C(C)C[NH2+]CCCC(C)(C)CO 393367207 572231929 /nfs/dbraw/zinc/23/19/29/572231929.db2.gz ANXRTHCURLYQAE-UHFFFAOYSA-N 1 0 185.311 1.951 10 30 ADEERO C#CC(C)(C)[NH2+]CC[C@@H]1CCCO1 83526775 572231930 /nfs/dbraw/zinc/23/19/30/572231930.db2.gz VWQSTQOOQUKYPV-JTQLQIEISA-N 1 0 181.279 1.557 10 30 ADEERO C#CCC[N@H+](CC#C)C1CCCC1 687713656 572231943 /nfs/dbraw/zinc/23/19/43/572231943.db2.gz JFTDAHHESSRYEN-UHFFFAOYSA-N 1 0 175.275 1.888 10 30 ADEERO C#CC(C)(C)[NH2+]CCC[C@@H]1CCCO1 83526773 572232117 /nfs/dbraw/zinc/23/21/17/572232117.db2.gz BDIWGGKEBZFIBU-LLVKDONJSA-N 1 0 195.306 1.947 10 30 ADEERO C#CC(C)(C)[NH2+]CC[C@H]1CCCO1 83526776 572232122 /nfs/dbraw/zinc/23/21/22/572232122.db2.gz VWQSTQOOQUKYPV-SNVBAGLBSA-N 1 0 181.279 1.557 10 30 ADEERO C[C@@H](O)C(C)(C)[NH2+]CC#CC(C)(C)C 300756881 572232216 /nfs/dbraw/zinc/23/22/16/572232216.db2.gz MVLOBMXGVFPBQC-SNVBAGLBSA-N 1 0 197.322 1.785 10 30 ADEERO C#C[C@H](C(C)C)N1C[C@H](C)[NH2+]C[C@H]1C 300717666 572232273 /nfs/dbraw/zinc/23/22/73/572232273.db2.gz VDVRFCHYJRMYHV-QJPTWQEYSA-N 1 0 194.322 1.326 10 30 ADEERO C=C(CC)C[NH2+]CCC(C)(C)O 393366732 572232391 /nfs/dbraw/zinc/23/23/91/572232391.db2.gz GANWMFXVPOUBBM-UHFFFAOYSA-N 1 0 171.284 1.703 10 30 ADEERO C#CC[C@@H]([NH3+])CS[C@H](C)CC 83499057 572232670 /nfs/dbraw/zinc/23/26/70/572232670.db2.gz BDZJFTVWSIESTL-RKDXNWHRSA-N 1 0 171.309 1.869 10 30 ADEERO C=C(COC)C(=O)C[C@H](C)CC[NH3+] 393367952 572232700 /nfs/dbraw/zinc/23/27/00/572232700.db2.gz DSOJFUVXYWZTGQ-MRVPVSSYSA-N 1 0 185.267 1.133 10 30 ADEERO C=C[C@@H]([NH2+]C)[C@@H](C)CSC 300760708 572232792 /nfs/dbraw/zinc/23/27/92/572232792.db2.gz MBZUCRIPONUBLY-JGVFFNPUSA-N 1 0 159.298 1.760 10 30 ADEERO C=CC[C@H](Cc1csnn1)[NH2+]C 393368116 572233419 /nfs/dbraw/zinc/23/34/19/572233419.db2.gz HXSYPFZGZYMKNL-SSDOTTSWSA-N 1 0 183.280 1.245 10 30 ADEERO C=C[C@@H](C)[NH2+]CC(C)(C)N(C)C 235206256 572233515 /nfs/dbraw/zinc/23/35/15/572233515.db2.gz GOEDQZCTYSWCKM-SECBINFHSA-N 1 0 170.300 1.491 10 30 ADEERO C#CC[C@H]([NH3+])CS[C@H](C)CC 83499059 572233548 /nfs/dbraw/zinc/23/35/48/572233548.db2.gz BDZJFTVWSIESTL-BDAKNGLRSA-N 1 0 171.309 1.869 10 30 ADEERO C#CC[C@@H]([NH3+])CS[C@@H](C)CC 83499058 572233580 /nfs/dbraw/zinc/23/35/80/572233580.db2.gz BDZJFTVWSIESTL-DTWKUNHWSA-N 1 0 171.309 1.869 10 30 ADEERO C#C[C@H](CC)[NH2+][C@@H]1C[C@@H]1CC 234122472 572233603 /nfs/dbraw/zinc/23/36/03/572233603.db2.gz GRTPTOPXGRNWMC-IVZWLZJFSA-N 1 0 151.253 1.786 10 30 ADEERO C=C[C@@H](C)NC[C@H]1CCCC[NH2+]1 235204617 572233667 /nfs/dbraw/zinc/23/36/67/572233667.db2.gz SAWVAUIUBBIDSM-NXEZZACHSA-N 1 0 168.284 1.293 10 30 ADEERO CCC(C)(C)[NH2+]C[C@@H](C)C#N 36985018 572233685 /nfs/dbraw/zinc/23/36/85/572233685.db2.gz UMRGFORQXCHEDR-QMMMGPOBSA-N 1 0 154.257 1.924 10 30 ADEERO CCC(C)(C)[NH2+]C[C@H](C)C#N 36985019 572233795 /nfs/dbraw/zinc/23/37/95/572233795.db2.gz UMRGFORQXCHEDR-MRVPVSSYSA-N 1 0 154.257 1.924 10 30 ADEERO C#CC[C@H]([NH3+])CS[C@@H](C)CC 83499060 572233961 /nfs/dbraw/zinc/23/39/61/572233961.db2.gz BDZJFTVWSIESTL-IUCAKERBSA-N 1 0 171.309 1.869 10 30 ADEERO C=C[C@@H](C)[NH2+]CCOCC(=C)C 235205494 572234386 /nfs/dbraw/zinc/23/43/86/572234386.db2.gz JCBMBBCXBXDMHA-SNVBAGLBSA-N 1 0 169.268 1.743 10 30 ADEERO C#CC[N@@H+](CCOC)[C@@H](C)C1CC1 42251062 572234423 /nfs/dbraw/zinc/23/44/23/572234423.db2.gz XPJQTPATDYNIOW-JTQLQIEISA-N 1 0 181.279 1.367 10 30 ADEERO CC[C@H](C)[N@@H+](CCC#N)CCOC 42247838 572234456 /nfs/dbraw/zinc/23/44/56/572234456.db2.gz JCMDWOODKXWETD-JTQLQIEISA-N 1 0 184.283 1.647 10 30 ADEERO CC[N@H+](CCCC#N)[C@@H](C)COC 42252380 572234545 /nfs/dbraw/zinc/23/45/45/572234545.db2.gz CUJXSGVAFRIVED-JTQLQIEISA-N 1 0 184.283 1.647 10 30 ADEERO C#CC[N@@H+](CCC)CC1CC1 42223094 572234616 /nfs/dbraw/zinc/23/46/16/572234616.db2.gz BFZMMDQIFPXIJL-UHFFFAOYSA-N 1 0 151.253 1.742 10 30 ADEERO COCC[N@H+](CCC#N)[C@@H](C)C1CC1 42247879 572234648 /nfs/dbraw/zinc/23/46/48/572234648.db2.gz DMGUOXOPNMYQTM-JTQLQIEISA-N 1 0 196.294 1.647 10 30 ADEERO CC[C@@H](C)[N@@H+](CCC#N)CCOC 42247834 572234675 /nfs/dbraw/zinc/23/46/75/572234675.db2.gz JCMDWOODKXWETD-SNVBAGLBSA-N 1 0 184.283 1.647 10 30 ADEERO C#CC[N@@H+](CCOC)[C@H](C)C1CC1 42251067 572234742 /nfs/dbraw/zinc/23/47/42/572234742.db2.gz XPJQTPATDYNIOW-SNVBAGLBSA-N 1 0 181.279 1.367 10 30 ADEERO C#CC[N@@H+](CC)C[C@@H]1CCCO1 42470297 572235884 /nfs/dbraw/zinc/23/58/84/572235884.db2.gz CZUBJEMWOUMOCA-JTQLQIEISA-N 1 0 167.252 1.121 10 30 ADEERO CC[N@H+](CCCC#N)[C@H](C)COC 42252384 572234909 /nfs/dbraw/zinc/23/49/09/572234909.db2.gz CUJXSGVAFRIVED-SNVBAGLBSA-N 1 0 184.283 1.647 10 30 ADEERO 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1 0 195.306 1.670 10 30 ADEERO C=CC[N@@H+](C)C1CCC1 306329230 572619466 /nfs/dbraw/zinc/61/94/66/572619466.db2.gz OKEMQCNPIGACHN-UHFFFAOYSA-N 1 0 125.215 1.657 10 30 ADEERO C=C(COC)[C@@H]([NH3+])C(C)(C)C 307661413 572619537 /nfs/dbraw/zinc/61/95/37/572619537.db2.gz VBTBGWGMJRKZKK-MRVPVSSYSA-N 1 0 157.257 1.562 10 30 ADEERO CNC(=S)N(C)/C(=[NH+]\C)C(C)C 238359722 572619617 /nfs/dbraw/zinc/61/96/17/572619617.db2.gz SIEYVZKSKSCGEY-CLFYSBASSA-N 1 0 187.312 1.107 10 30 ADEERO CN(C)C=[NH+]c1ccc(Cl)cn1 255990606 572619967 /nfs/dbraw/zinc/61/99/67/572619967.db2.gz NRADUXZAWBQICJ-UHFFFAOYSA-N 1 0 183.642 1.956 10 30 ADEERO N#Cc1ccc(F)c2c1C[C@H]([NH3+])CC2 714114015 572619995 /nfs/dbraw/zinc/61/99/95/572619995.db2.gz BPMJCJCNPDHSGV-MRVPVSSYSA-N 1 0 190.221 1.513 10 30 ADEERO C#C[C@H]([NH2+][C@H]1CN(C)C[C@H]1C)C(C)C 306345122 572620060 /nfs/dbraw/zinc/62/00/60/572620060.db2.gz PDGBLHFSWHZHHD-WOPDTQHZSA-N 1 0 194.322 1.184 10 30 ADEERO C=C[C@@H](C)[N@@H+]1C[C@H](C)N(C)[C@H](C)C1 306327299 572620146 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/nfs/dbraw/zinc/72/95/08/572729508.db2.gz UVEZMDPEBMMHKQ-ONGXEEELSA-N 1 0 183.295 1.689 10 30 ADEERO C=CCCNC1=[NH+]CC(C)(C)CN1 306607309 572729621 /nfs/dbraw/zinc/72/96/21/572729621.db2.gz UBRURYMWKVYSCA-UHFFFAOYSA-N 1 0 181.283 1.138 10 30 ADEERO C=C(Cl)CNC[C@H](C)C[NH+](C)C 308100922 572730042 /nfs/dbraw/zinc/73/00/42/572730042.db2.gz GDQUABHPSOPMKZ-QMMMGPOBSA-N 1 0 190.718 1.526 10 30 ADEERO C=C(C)C[NH2+][C@@H](C)[C@@H](C)C#N 307628873 572729933 /nfs/dbraw/zinc/72/99/33/572729933.db2.gz KSUXNRDTCBNPOR-IUCAKERBSA-N 1 0 152.241 1.700 10 30 ADEERO C=CCCC[NH2+]C[C@@H](C)C#N 307887781 572730075 /nfs/dbraw/zinc/73/00/75/572730075.db2.gz YWYCHSVQZKDROH-VIFPVBQESA-N 1 0 152.241 1.702 10 30 ADEERO C[C@H](CC[NH3+])SCCCC#N 85344737 572730155 /nfs/dbraw/zinc/73/01/55/572730155.db2.gz UKKZCFRLBDSIQP-MRVPVSSYSA-N 1 0 172.297 1.761 10 30 ADEERO N#Cc1ccccc1CC[NH2+]C1CC1 236182378 572730179 /nfs/dbraw/zinc/73/01/79/572730179.db2.gz NMESRYVVUAGBIH-UHFFFAOYSA-N 1 0 186.258 1.853 10 30 ADEERO CC[C@H]([NH3+])CS[C@H](C#N)CC 85349295 572730198 /nfs/dbraw/zinc/73/01/98/572730198.db2.gz HOMKTROITZWDDR-YUMQZZPRSA-N 1 0 172.297 1.759 10 30 ADEERO CC[C@H]([NH3+])CSCCCC#N 85348631 572730272 /nfs/dbraw/zinc/73/02/72/572730272.db2.gz COAXODXWEHEIPZ-QMMMGPOBSA-N 1 0 172.297 1.761 10 30 ADEERO CC[C@H]([NH3+])CS[C@@H](C#N)CC 85349297 572730472 /nfs/dbraw/zinc/73/04/72/572730472.db2.gz HOMKTROITZWDDR-JGVFFNPUSA-N 1 0 172.297 1.759 10 30 ADEERO CC[C@@H](C#N)S[C@H](C)CC[NH3+] 85346229 572730579 /nfs/dbraw/zinc/73/05/79/572730579.db2.gz LSDDASKHNDRNRG-SFYZADRCSA-N 1 0 172.297 1.759 10 30 ADEERO C=C(Cl)CNC[C@@H](C)C[NH+](C)C 308100917 572730650 /nfs/dbraw/zinc/73/06/50/572730650.db2.gz GDQUABHPSOPMKZ-MRVPVSSYSA-N 1 0 190.718 1.526 10 30 ADEERO C#CCC[N@H+]1C[C@@H]2CC[C@@H](O)C[C@H]2C1 306694144 572730675 /nfs/dbraw/zinc/73/06/75/572730675.db2.gz ULOXOURFUFGUSU-SDDRHHMPSA-N 1 0 193.290 1.103 10 30 ADEERO C=CC[C@@H]1[C@@H]([NH3+])[C@H]2CC[C@@H]1C2 306659985 572730746 /nfs/dbraw/zinc/73/07/46/572730746.db2.gz MFFSMOUBWJZGKI-KATARQTJSA-N 1 0 151.253 1.936 10 30 ADEERO C=C(C)[C@@H]([NH2+]C(C)(C)C)[C@@H](C)O 238462948 572730904 /nfs/dbraw/zinc/73/09/04/572730904.db2.gz IZAUVMRFMTVNJZ-RKDXNWHRSA-N 1 0 171.284 1.700 10 30 ADEERO C=CC[N@H+]1C[C@@H]2CC[C@H](F)[C@H]2C1 306647031 572730945 /nfs/dbraw/zinc/73/09/45/572730945.db2.gz BYVVYIZDZNFUQO-GUBZILKMSA-N 1 0 169.243 1.852 10 30 ADEERO C=CC[C@]1(CO)C[NH+]2CCC1CC2 196663464 572731232 /nfs/dbraw/zinc/73/12/32/572731232.db2.gz DPSJPENHLQTGFK-LLVKDONJSA-N 1 0 181.279 1.267 10 30 ADEERO C=C[C@](C)(C[NH3+])CO[C@@H](C)CC 308106458 572732878 /nfs/dbraw/zinc/73/28/78/572732878.db2.gz IDTCQQJRWJXQTF-VHSXEESVSA-N 1 0 171.284 1.953 10 30 ADEERO CC[C@@H](C#N)SC[C@H]([NH3+])CC 85349296 572731244 /nfs/dbraw/zinc/73/12/44/572731244.db2.gz HOMKTROITZWDDR-SFYZADRCSA-N 1 0 172.297 1.759 10 30 ADEERO CC[C@@H]([NH3+])CS[C@@H](C#N)CC 85349298 572731342 /nfs/dbraw/zinc/73/13/42/572731342.db2.gz HOMKTROITZWDDR-HTQZYQBOSA-N 1 0 172.297 1.759 10 30 ADEERO C=CC[C@@]1(CO)C[NH+]2CCC1CC2 196663474 572731366 /nfs/dbraw/zinc/73/13/66/572731366.db2.gz DPSJPENHLQTGFK-NSHDSACASA-N 1 0 181.279 1.267 10 30 ADEERO C#CCC[NH2+][C@@H](CC)[C@@H](O)CC 313096720 572731399 /nfs/dbraw/zinc/73/13/99/572731399.db2.gz BQTWJILFXNLIMM-UWVGGRQHSA-N 1 0 169.268 1.149 10 30 ADEERO C[C@H](Cc1ccccc1)[NH2+]C[C@H]1CO1 238463559 572731500 /nfs/dbraw/zinc/73/15/00/572731500.db2.gz CCYYDQIUGBSSTR-PWSUYJOCSA-N 1 0 191.274 1.606 10 30 ADEERO C[C@H](Cc1ccccc1)[NH2+]C[C@@H]1CO1 238463512 572731532 /nfs/dbraw/zinc/73/15/32/572731532.db2.gz CCYYDQIUGBSSTR-ZYHUDNBSSA-N 1 0 191.274 1.606 10 30 ADEERO CC[C@H](C#N)S[C@H](C)CC[NH3+] 85346230 572731566 /nfs/dbraw/zinc/73/15/66/572731566.db2.gz LSDDASKHNDRNRG-HTQZYQBOSA-N 1 0 172.297 1.759 10 30 ADEERO C=C1CCN(C(=O)[C@](C)([NH3+])CC)CC1 306668423 572731604 /nfs/dbraw/zinc/73/16/04/572731604.db2.gz WIQULQWBBVLUOB-LLVKDONJSA-N 1 0 196.294 1.292 10 30 ADEERO C=CCCC[NH2+]C[C@H](C)C#N 307887780 572731629 /nfs/dbraw/zinc/73/16/29/572731629.db2.gz YWYCHSVQZKDROH-SECBINFHSA-N 1 0 152.241 1.702 10 30 ADEERO CC#CCC[C@@H](O)CC(C)(C)[NH3+] 308110346 572731656 /nfs/dbraw/zinc/73/16/56/572731656.db2.gz JWPTXJHUBLYGCX-SECBINFHSA-N 1 0 169.268 1.278 10 30 ADEERO C=C(C)[C@H]([NH3+])[C@H](C)O[C@@H]1CCCCO1 238464067 572731738 /nfs/dbraw/zinc/73/17/38/572731738.db2.gz OSEVYRBFUJZEKR-AXFHLTTASA-N 1 0 199.294 1.822 10 30 ADEERO O=CC[N@H+](CC1CC1)C1CC1 70736709 572731818 /nfs/dbraw/zinc/73/18/18/572731818.db2.gz MDMJPPWEEMISKZ-UHFFFAOYSA-N 1 0 153.225 1.060 10 30 ADEERO C#Cc1cccc(NCC(C)(C)[NH3+])c1 306634593 572731904 /nfs/dbraw/zinc/73/19/04/572731904.db2.gz WHSUWHRECBAETG-UHFFFAOYSA-N 1 0 188.274 1.817 10 30 ADEERO C#C[C@H](C)[NH2+][C@@H](C)[C@H](C)COC 308110373 572732018 /nfs/dbraw/zinc/73/20/18/572732018.db2.gz JWQSRDZVHRRGMT-UTLUCORTSA-N 1 0 169.268 1.269 10 30 ADEERO C#CCC[C@@H]([NH3+])c1ccc(C)cn1 306614154 572732026 /nfs/dbraw/zinc/73/20/26/572732026.db2.gz ONJODJJMKLUCIJ-SNVBAGLBSA-N 1 0 174.247 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/nfs/dbraw/zinc/73/30/41/572733041.db2.gz JJTAEIOHQRWYOM-UHFFFAOYSA-N 1 0 181.264 1.041 10 30 ADEERO C=C(C)[C@H]([NH2+]C(C)(C)C)[C@H](C)O 238470502 572733260 /nfs/dbraw/zinc/73/32/60/572733260.db2.gz IZAUVMRFMTVNJZ-IUCAKERBSA-N 1 0 171.284 1.700 10 30 ADEERO C=CCn1cc([C@@H]2CCCC[NH2+]2)cn1 214660598 572733347 /nfs/dbraw/zinc/73/33/47/572733347.db2.gz ZNZKUEXNZJHLPA-NSHDSACASA-N 1 0 191.278 1.884 10 30 ADEERO C#CC[NH2+][C@]1(C)CCO[C@@H]1C1CC1 306623493 572733360 /nfs/dbraw/zinc/73/33/60/572733360.db2.gz DWBFYHRJVXPKNP-GHMZBOCLSA-N 1 0 179.263 1.167 10 30 ADEERO C#C[C@@](C)(CC)NC(=[NH2+])NC1CC1 306683933 572733416 /nfs/dbraw/zinc/73/34/16/572733416.db2.gz XYYAEEITLALZEM-JTQLQIEISA-N 1 0 179.267 1.065 10 30 ADEERO C#CC[C@@H](C)[NH2+][C@@H]1COC(C)(C)C1 306645932 572733514 /nfs/dbraw/zinc/73/35/14/572733514.db2.gz GAGKZHSGYPDCIW-ZJUUUORDSA-N 1 0 181.279 1.555 10 30 ADEERO C#C[C@H](C)[NH2+][C@@H](C)[C@@H](C)COC 308110355 572733614 /nfs/dbraw/zinc/73/36/14/572733614.db2.gz 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C=CC[C@H](C)[NH2+]C/C=C\C(=O)OCC 308377625 573381668 /nfs/dbraw/zinc/38/16/68/573381668.db2.gz ONJZFVQLXKMCKE-ZEBCKKTISA-N 1 0 197.278 1.660 10 30 ADEERO C[C@@H]1Cc2cc(C#N)ccc2C[N@@H+]1C 306627286 573380525 /nfs/dbraw/zinc/38/05/25/573380525.db2.gz JEXVFSNGGKZTEB-SECBINFHSA-N 1 0 186.258 1.935 10 30 ADEERO C=CC[NH2+][C@H](CC)C1CC1 83053953 573380579 /nfs/dbraw/zinc/38/05/79/573380579.db2.gz HWNUUZNZEHRNFJ-SECBINFHSA-N 1 0 139.242 1.951 10 30 ADEERO CCCCNC(=[NH2+])N[C@@H]1C[C@@H]1C 308377939 573381373 /nfs/dbraw/zinc/38/13/73/573381373.db2.gz OTOGYUNIZWPLJY-JGVFFNPUSA-N 1 0 169.272 1.099 10 30 ADEERO C#CC[C@H](CC)[NH2+]Cc1[nH]ncc1C 308567340 573381385 /nfs/dbraw/zinc/38/13/85/573381385.db2.gz BBMRQTYQYXRWTQ-JTQLQIEISA-N 1 0 191.278 1.610 10 30 ADEERO C=CC[C@@H](C)[NH2+]C/C=C\C(=O)OCC 308377624 573381424 /nfs/dbraw/zinc/38/14/24/573381424.db2.gz ONJZFVQLXKMCKE-BJPMOSCESA-N 1 0 197.278 1.660 10 30 ADEERO CC[N@@H+]1CCC[C@](O)(CCC=O)CC1 308567235 573381479 /nfs/dbraw/zinc/38/14/79/573381479.db2.gz YZSQGEBFGSFHJH-NSHDSACASA-N 1 0 199.294 1.202 10 30 ADEERO C=CC[C@H](C)[C@H](O)C1=CC[C@@H]([NH3+])C1 715788334 573381507 /nfs/dbraw/zinc/38/15/07/573381507.db2.gz QAVJJTYLEOYOHA-GDPRMGEGSA-N 1 0 181.279 1.607 10 30 ADEERO C=C(COCCC)[C@H](CC)[NH2+]C 387548971 573381607 /nfs/dbraw/zinc/38/16/07/573381607.db2.gz SGKVJXRIJNZZET-JTQLQIEISA-N 1 0 171.284 1.967 10 30 ADEERO COC[C@@H]([NH3+])c1cc(C#N)ccc1C 238375883 573385237 /nfs/dbraw/zinc/38/52/37/573385237.db2.gz CSKQQAMOKKDOTI-LLVKDONJSA-N 1 0 190.246 1.513 10 30 ADEERO C#CC[N@H+](C)CC[C@H]1CCCC[C@@H]1[NH3+] 308566782 573385259 /nfs/dbraw/zinc/38/52/59/573385259.db2.gz IBORZFJIWWCVNU-NEPJUHHUSA-N 1 0 194.322 1.459 10 30 ADEERO C=CCCC(=O)N1CC[C@H](C)[C@H]([NH3+])C1 69719192 573384687 /nfs/dbraw/zinc/38/46/87/573384687.db2.gz SUYBBHYBKMZCGY-VHSXEESVSA-N 1 0 196.294 1.148 10 30 ADEERO CC(C)(C)[N@@H+]1CCC[C@@H](NCC#N)C1 259434495 573384742 /nfs/dbraw/zinc/38/47/42/573384742.db2.gz URYHRHUSQLWDAK-SNVBAGLBSA-N 1 0 195.310 1.362 10 30 ADEERO C[NH2+]CCc1cc(C#N)c(C)cc1C 258011409 573384840 /nfs/dbraw/zinc/38/48/40/573384840.db2.gz HKGGOQYYIFFTCL-UHFFFAOYSA-N 1 0 188.274 1.937 10 30 ADEERO COC[C@@H]([NH3+])c1c(C)cccc1C#N 238375057 573384970 /nfs/dbraw/zinc/38/49/70/573384970.db2.gz PUUHYGFJPITKLF-SNVBAGLBSA-N 1 0 190.246 1.513 10 30 ADEERO C=CC[C@@H](C)[N@@H+]1CC[C@H](C#N)C1 715788933 573385025 /nfs/dbraw/zinc/38/50/25/573385025.db2.gz SLKUMWIJTYMKBM-NXEZZACHSA-N 1 0 164.252 1.796 10 30 ADEERO C=CC[NH2+]C(C)(C)C(C)(C)C(=O)OC 308566639 573385067 /nfs/dbraw/zinc/38/50/67/573385067.db2.gz AUZSWLAWHRMVFK-UHFFFAOYSA-N 1 0 199.294 1.740 10 30 ADEERO C=C[C@H]([NH3+])c1cc(N)cc(OC)c1O 238376694 573387565 /nfs/dbraw/zinc/38/75/65/573387565.db2.gz REAQBYMNNDZTMI-QMMMGPOBSA-N 1 0 194.234 1.169 10 30 ADEERO C=CC[C@H](C)[C@@H](O)C1=CC[C@@H]([NH3+])C1 715788341 573386585 /nfs/dbraw/zinc/38/65/85/573386585.db2.gz QAVJJTYLEOYOHA-JMJZKYOTSA-N 1 0 181.279 1.607 10 30 ADEERO C=CC[C@H](C)[N@@H+]1CC[C@@H](C#N)C1 715788934 573386592 /nfs/dbraw/zinc/38/65/92/573386592.db2.gz SLKUMWIJTYMKBM-UWVGGRQHSA-N 1 0 164.252 1.796 10 30 ADEERO CC#CCNC1=[NH+]Cc2ccccc2N1 308811413 573386719 /nfs/dbraw/zinc/38/67/19/573386719.db2.gz RMRYQYKHCVPXOI-UHFFFAOYSA-N 1 0 199.257 1.390 10 30 ADEERO C=C(CCO)C[C@@H]1CCCC[N@H+]1C 258011663 573386992 /nfs/dbraw/zinc/38/69/92/573386992.db2.gz BAUPAIXGVZNPPN-NSHDSACASA-N 1 0 183.295 1.799 10 30 ADEERO C=CC[C@H](C)[N@@H+]1CC[C@H](C#N)C1 715788935 573387264 /nfs/dbraw/zinc/38/72/64/573387264.db2.gz SLKUMWIJTYMKBM-VHSXEESVSA-N 1 0 164.252 1.796 10 30 ADEERO C=C(C[NH2+]C)C[C@H]1CCCO1 258013623 573387813 /nfs/dbraw/zinc/38/78/13/573387813.db2.gz BFIDNCXCXANADD-SECBINFHSA-N 1 0 155.241 1.331 10 30 ADEERO CC(C)([NH3+])[C@@H](O)c1cccc(C#N)c1 135608113 573387976 /nfs/dbraw/zinc/38/79/76/573387976.db2.gz ULUDMMGPDUAWQO-JTQLQIEISA-N 1 0 190.246 1.329 10 30 ADEERO CC[C@H]([NH3+])[C@@H](O)c1cccc(C#N)c1 135607684 573388010 /nfs/dbraw/zinc/38/80/10/573388010.db2.gz WWHSBAUCBMMRSQ-QWRGUYRKSA-N 1 0 190.246 1.329 10 30 ADEERO Cc1[nH+]cc2n1[C@@H](C=O)CCC2 107160308 573388080 /nfs/dbraw/zinc/38/80/80/573388080.db2.gz WCJCNZFJGZFWMJ-SECBINFHSA-N 1 0 164.208 1.268 10 30 ADEERO C=CCC[NH2+][C@@H](CCOC)COC 308373015 573388128 /nfs/dbraw/zinc/38/81/28/573388128.db2.gz LXUMEQPZDIJIEC-JTQLQIEISA-N 1 0 187.283 1.204 10 30 ADEERO CC(C)([NH3+])[C@@H](O)c1ccc(C#N)cc1 135608059 573388138 /nfs/dbraw/zinc/38/81/38/573388138.db2.gz PWYDRIWSCHLXNT-JTQLQIEISA-N 1 0 190.246 1.329 10 30 ADEERO C=C[C@@H]([NH3+])c1cc(N)cc(OC)c1O 238377200 573389138 /nfs/dbraw/zinc/38/91/38/573389138.db2.gz REAQBYMNNDZTMI-MRVPVSSYSA-N 1 0 194.234 1.169 10 30 ADEERO N#CC[C@H]([NH3+])c1c(F)ccc(N)c1O 211724195 573389165 /nfs/dbraw/zinc/38/91/65/573389165.db2.gz ZNWUZOHAUGIYRP-LURJTMIESA-N 1 0 195.197 1.027 10 30 ADEERO Cc1ccc(N[C@@H](C)C[NH3+])c(C#N)c1 235109628 573389191 /nfs/dbraw/zinc/38/91/91/573389191.db2.gz SDZIMJCFGAGARU-VIFPVBQESA-N 1 0 189.262 1.626 10 30 ADEERO C=C(C[NH2+]C)C[C@@H]1CCCO1 258013625 573389563 /nfs/dbraw/zinc/38/95/63/573389563.db2.gz BFIDNCXCXANADD-VIFPVBQESA-N 1 0 155.241 1.331 10 30 ADEERO C[C@H]1CCCC/C1=N\C[C@@H](C)[NH3+] 197330295 573389981 /nfs/dbraw/zinc/38/99/81/573389981.db2.gz MDERRLAGLCFLBM-SVVCOPCHSA-N 1 0 168.284 1.985 10 30 ADEERO CC[C@H]([NH3+])[C@H](O)c1ccc(C#N)cc1 135607545 573389660 /nfs/dbraw/zinc/38/96/60/573389660.db2.gz HDSABIWSQVNSSC-WDEREUQCSA-N 1 0 190.246 1.329 10 30 ADEERO C#CCC[NH2+][C@@H](C)Cn1cc(C)cn1 308568260 573389663 /nfs/dbraw/zinc/38/96/63/573389663.db2.gz IWNAXYIGFBYENT-NSHDSACASA-N 1 0 191.278 1.193 10 30 ADEERO C=CC[C@H]([NH2+]C)c1cncn1C 126168111 573389708 /nfs/dbraw/zinc/38/97/08/573389708.db2.gz IWLNKGGTJKPYGD-QMMMGPOBSA-N 1 0 165.240 1.257 10 30 ADEERO C=CC[C@H](C)[C@H]([NH3+])CCn1ccnc1 715792565 573389715 /nfs/dbraw/zinc/38/97/15/573389715.db2.gz CHUNAYWHIBQYMQ-WDEREUQCSA-N 1 0 193.294 1.813 10 30 ADEERO C=CC[C@@H](C)[C@H](O)[C@H]1CCC[NH2+]1 715790105 573389927 /nfs/dbraw/zinc/38/99/27/573389927.db2.gz YCENVHDFHYVDIF-BBBLOLIVSA-N 1 0 169.268 1.312 10 30 ADEERO C=CC[C@@H](C)[C@@H](O)[C@@H]1CCC[NH2+]1 715790106 573392102 /nfs/dbraw/zinc/39/21/02/573392102.db2.gz YCENVHDFHYVDIF-KXUCPTDWSA-N 1 0 169.268 1.312 10 30 ADEERO C#C[C@@H](CC)[NH2+][C@@H](CCCC)C(N)=O 308568845 573392118 /nfs/dbraw/zinc/39/21/18/573392118.db2.gz BIVJCMRFIJLNQT-UWVGGRQHSA-N 1 0 196.294 1.032 10 30 ADEERO C=C(C(=O)OC)[C@@H]1CCC[N@@H+]1C(C)C 258013534 573390937 /nfs/dbraw/zinc/39/09/37/573390937.db2.gz BEHPJKGKIDUADC-JTQLQIEISA-N 1 0 197.278 1.588 10 30 ADEERO C=C(CCO)C[C@H]1CCCC[N@H+]1C 258011661 573391067 /nfs/dbraw/zinc/39/10/67/573391067.db2.gz BAUPAIXGVZNPPN-LLVKDONJSA-N 1 0 183.295 1.799 10 30 ADEERO Cc1cc(C)c(C#N)c([C@@H](C)[NH3+])n1 238379436 573391163 /nfs/dbraw/zinc/39/11/63/573391163.db2.gz VACDPIJRFZCZHH-MRVPVSSYSA-N 1 0 175.235 1.590 10 30 ADEERO CC[C@H]([NH3+])[C@@H](O)c1ccc(C#N)cc1 135607585 573391184 /nfs/dbraw/zinc/39/11/84/573391184.db2.gz HDSABIWSQVNSSC-QWRGUYRKSA-N 1 0 190.246 1.329 10 30 ADEERO N#Cc1cc(C[NH3+])ccc1N1CCC1 306153947 573391220 /nfs/dbraw/zinc/39/12/20/573391220.db2.gz AIKUVZMPEDZCPU-UHFFFAOYSA-N 1 0 187.246 1.227 10 30 ADEERO C=CCN1CCCC[NH2+]C(C)(C)C1=O 259435861 573391265 /nfs/dbraw/zinc/39/12/65/573391265.db2.gz OHOPTCRZTRTJIW-UHFFFAOYSA-N 1 0 196.294 1.163 10 30 ADEERO C#CCCC[N@H+]1CC[C@@H]1COC 393517272 573391323 /nfs/dbraw/zinc/39/13/23/573391323.db2.gz LSAWTPSUPGJOAV-SNVBAGLBSA-N 1 0 167.252 1.121 10 30 ADEERO C[C@H]1CN(CCC(C)(C)C#N)C[C@@H]1[NH3+] 235581486 573391440 /nfs/dbraw/zinc/39/14/40/573391440.db2.gz BCJIEYIKRPCESQ-UWVGGRQHSA-N 1 0 195.310 1.205 10 30 ADEERO C=C[C@@H]([NH3+])c1c(N)cccc1OC 238378701 573391528 /nfs/dbraw/zinc/39/15/28/573391528.db2.gz XWJKCKSDXPCGRS-SSDOTTSWSA-N 1 0 178.235 1.463 10 30 ADEERO C=CC[N@@H+](CC)Cc1cccc(N)n1 308569086 573391625 /nfs/dbraw/zinc/39/16/25/573391625.db2.gz JFXCMRYOMFEXEN-UHFFFAOYSA-N 1 0 191.278 1.672 10 30 ADEERO C#CCON1CCC[NH2+][C@@H](CCC)C1 308569186 573391650 /nfs/dbraw/zinc/39/16/50/573391650.db2.gz JILIRMPFGLMJHU-NSHDSACASA-N 1 0 196.294 1.015 10 30 ADEERO C=CC[C@@H](C)NC(=[NH+]C)N(C)C 308379323 573391673 /nfs/dbraw/zinc/39/16/73/573391673.db2.gz PHPFJPIEIYQLOZ-MRVPVSSYSA-N 1 0 169.272 1.088 10 30 ADEERO C=C[C@H]([NH3+])c1c(N)cccc1OC 238378323 573391992 /nfs/dbraw/zinc/39/19/92/573391992.db2.gz XWJKCKSDXPCGRS-ZETCQYMHSA-N 1 0 178.235 1.463 10 30 ADEERO C=CCCCNC(=O)[C@H]1CC[C@H]([NH3+])C1 308568965 573393147 /nfs/dbraw/zinc/39/31/47/573393147.db2.gz ZUOPGOYQLMMMLT-UWVGGRQHSA-N 1 0 196.294 1.196 10 30 ADEERO C#C[C@H](CC)[NH2+][C@@H](CCCC)C(N)=O 308568853 573393213 /nfs/dbraw/zinc/39/32/13/573393213.db2.gz BIVJCMRFIJLNQT-ZJUUUORDSA-N 1 0 196.294 1.032 10 30 ADEERO C#CC[C@H]([NH3+])C(=O)NC(C)(C)CCC 126171296 573393272 /nfs/dbraw/zinc/39/32/72/573393272.db2.gz KOLZBKGDQPGNBI-VIFPVBQESA-N 1 0 196.294 1.032 10 30 ADEERO C=CC[C@H](C)[C@H](O)[C@H](C)CCC[NH3+] 715788963 573393345 /nfs/dbraw/zinc/39/33/45/573393345.db2.gz STWVGXJJRDRYIJ-AXFHLTTASA-N 1 0 185.311 1.935 10 30 ADEERO COc1c(C#N)cccc1CC[NH3+] 238378958 573393352 /nfs/dbraw/zinc/39/33/52/573393352.db2.gz ODUHYCUNJOMHKB-UHFFFAOYSA-N 1 0 176.219 1.068 10 30 ADEERO C=CC[C@@H](C)[NH2+]C[C@H]1COC(C)(C)O1 715145546 573393378 /nfs/dbraw/zinc/39/33/78/573393378.db2.gz COOMEMNLPIEXHI-ZJUUUORDSA-N 1 0 199.294 1.692 10 30 ADEERO CC[C@@H](CC#N)N(C)[C@H]1CC[N@H+](C)C1 308568629 573395078 /nfs/dbraw/zinc/39/50/78/573395078.db2.gz JCUZSCMZGAZJFI-QWRGUYRKSA-N 1 0 195.310 1.315 10 30 ADEERO CC[C@H](CC#N)[NH2+][C@H]1CCC[C@@H]1OC 50373019 573394274 /nfs/dbraw/zinc/39/42/74/573394274.db2.gz WYWXKUWORCKHFI-VWYCJHECSA-N 1 0 196.294 1.836 10 30 ADEERO C=C(C)C[C@H]([NH2+]C)c1cncn1C 126172012 573394489 /nfs/dbraw/zinc/39/44/89/573394489.db2.gz CDZQJKZYDQIHCD-VIFPVBQESA-N 1 0 179.267 1.647 10 30 ADEERO CC[C@H](CC#N)N(C)[C@H]1CC[N@H+](C)C1 308568627 573394630 /nfs/dbraw/zinc/39/46/30/573394630.db2.gz JCUZSCMZGAZJFI-MNOVXSKESA-N 1 0 195.310 1.315 10 30 ADEERO C=CC[NH2+]Cc1cccc(OCC)n1 308570101 573394804 /nfs/dbraw/zinc/39/48/04/573394804.db2.gz BSPSDNIDZYGSJR-UHFFFAOYSA-N 1 0 192.262 1.756 10 30 ADEERO C=CCCCNC(=O)[C@@H]1CC[C@@H]([NH3+])C1 308568964 573394867 /nfs/dbraw/zinc/39/48/67/573394867.db2.gz ZUOPGOYQLMMMLT-NXEZZACHSA-N 1 0 196.294 1.196 10 30 ADEERO CN(C)CC1([NH2+]CCCC#N)CCC1 308569541 573395122 /nfs/dbraw/zinc/39/51/22/573395122.db2.gz BNLBGSLJBALKAC-UHFFFAOYSA-N 1 0 195.310 1.364 10 30 ADEERO C=CCCCNC(=O)[C@@H]1CC[C@H]([NH3+])C1 308568967 573394969 /nfs/dbraw/zinc/39/49/69/573394969.db2.gz ZUOPGOYQLMMMLT-ZJUUUORDSA-N 1 0 196.294 1.196 10 30 ADEERO CC[C@H](C#N)C[N@H+](C)C1CCOCC1 259094698 573397160 /nfs/dbraw/zinc/39/71/60/573397160.db2.gz WLCWBQNHRDFKDO-SNVBAGLBSA-N 1 0 196.294 1.647 10 30 ADEERO C=CCCC[NH2+][C@@H](C(N)=O)[C@H](C)CC 308573526 573401004 /nfs/dbraw/zinc/40/10/04/573401004.db2.gz CSNKJDDNENLFFI-NXEZZACHSA-N 1 0 198.310 1.442 10 30 ADEERO C=CCCC[NH2+][C@@H](C(N)=O)[C@@H](C)CC 308573547 573401093 /nfs/dbraw/zinc/40/10/93/573401093.db2.gz CSNKJDDNENLFFI-VHSXEESVSA-N 1 0 198.310 1.442 10 30 ADEERO C=CCCC[NH2+][C@H](C(N)=O)[C@H](C)CC 308573551 573401099 /nfs/dbraw/zinc/40/10/99/573401099.db2.gz CSNKJDDNENLFFI-ZJUUUORDSA-N 1 0 198.310 1.442 10 30 ADEERO C[C@H]1CCC[C@H](C[N@H+](C)CC=O)C1 714689423 573400553 /nfs/dbraw/zinc/40/05/53/573400553.db2.gz UXFOFZJTISOCEW-QWRGUYRKSA-N 1 0 183.295 1.943 10 30 ADEERO C=C[C@H](C)[NH2+][C@H](COC)[C@H]1CCCO1 308572183 573400555 /nfs/dbraw/zinc/40/05/55/573400555.db2.gz CIPLWRNKEPYMJN-HBNTYKKESA-N 1 0 199.294 1.345 10 30 ADEERO C=C(C)CC[NH2+]C(C)(C)C(=O)N(C)C 308572455 573400619 /nfs/dbraw/zinc/40/06/19/573400619.db2.gz CKESAZSDDDTHGE-UHFFFAOYSA-N 1 0 198.310 1.409 10 30 ADEERO C=CCC[C@H](CC)[NH2+][C@@H](C)C(=O)NC 308572456 573400657 /nfs/dbraw/zinc/40/06/57/573400657.db2.gz CKJMBEJLTPRYAX-UWVGGRQHSA-N 1 0 198.310 1.455 10 30 ADEERO CC(C)(C=O)CCC1([NH3+])CC1 258644570 573400878 /nfs/dbraw/zinc/40/08/78/573400878.db2.gz ZAMPYTONMKVJNP-UHFFFAOYSA-N 1 0 155.241 1.483 10 30 ADEERO CC(=O)C1C(C)=[NH+]C(N)=C1C 238388182 573400914 /nfs/dbraw/zinc/40/09/14/573400914.db2.gz HFIBZTJBAMIZOR-BYPYZUCNSA-N 1 0 152.197 1.066 10 30 ADEERO C=CCC[NH2+][C@H]1CCC[C@@H]1C(=O)OC 308573620 573401831 /nfs/dbraw/zinc/40/18/31/573401831.db2.gz CTWWZTRBWFEIJW-UWVGGRQHSA-N 1 0 197.278 1.494 10 30 ADEERO C#C[C@H](CC)[NH2+]C[C@H]1COC(C)(C)O1 715145667 573402206 /nfs/dbraw/zinc/40/22/06/573402206.db2.gz FCNUURMLYUJQQA-ZJUUUORDSA-N 1 0 197.278 1.139 10 30 ADEERO CC[C@H](CC#N)[N@H+](C)C(C)(C)CO 133447327 573402245 /nfs/dbraw/zinc/40/22/45/573402245.db2.gz KFMFUKBHHDQXIS-SECBINFHSA-N 1 0 184.283 1.381 10 30 ADEERO C[N@@H+]1CCC[C@H](C(=O)C2(C#N)CC2)C1 259095931 573402515 /nfs/dbraw/zinc/40/25/15/573402515.db2.gz GSZCKDUBTRNYNG-VIFPVBQESA-N 1 0 192.262 1.201 10 30 ADEERO C=CCC[C@@H]([NH2+]C)c1cncn1C 126178924 573403163 /nfs/dbraw/zinc/40/31/63/573403163.db2.gz TVMKJJQTWAJPHK-SECBINFHSA-N 1 0 179.267 1.647 10 30 ADEERO C[C@@H](O)C[C@H]1CCCC[N@@H+]1CCC=O 308576022 573405497 /nfs/dbraw/zinc/40/54/97/573405497.db2.gz HIPHVISOABKOSL-GHMZBOCLSA-N 1 0 199.294 1.201 10 30 ADEERO C#CC[NH2+]Cc1ccc(F)c(C#N)c1 236207531 573403755 /nfs/dbraw/zinc/40/37/55/573403755.db2.gz DLEXLWSHHZEPBQ-UHFFFAOYSA-N 1 0 188.205 1.420 10 30 ADEERO C=CCCC[NH2+]C(CC)(CC)C(N)=O 308576725 573403837 /nfs/dbraw/zinc/40/38/37/573403837.db2.gz DSADZYFDXLSJHX-UHFFFAOYSA-N 1 0 198.310 1.586 10 30 ADEERO CCOC(=O)[C@H](CCC#N)[C@H](C)[NH2+]C 308576148 573404831 /nfs/dbraw/zinc/40/48/31/573404831.db2.gz DMTPXAYRHAEZSJ-DTWKUNHWSA-N 1 0 198.266 1.077 10 30 ADEERO C/C=C\CC[NH2+][C@@H]1CCCO[C@H]1C#N 308576175 573404554 /nfs/dbraw/zinc/40/45/54/573404554.db2.gz DNJLEPAVNLAYAB-UZAOFVRNSA-N 1 0 194.278 1.613 10 30 ADEERO CCC[C@@H]1C[C@H]1[NH2+]CCO[C@H](C)C#N 308576326 573404590 /nfs/dbraw/zinc/40/45/90/573404590.db2.gz HQWZGVRUEZNJES-GMTAPVOTSA-N 1 0 196.294 1.693 10 30 ADEERO C#CCON1C[C@H](CC)[NH2+]C[C@@H]1CC 308576635 573404724 /nfs/dbraw/zinc/40/47/24/573404724.db2.gz MZBBGDBUWJPEQM-QWRGUYRKSA-N 1 0 196.294 1.014 10 30 ADEERO N#C[C@@H]1CCC[C@@H]1N[C@@H]1CC[C@H]([NH3+])C1 86400446 573404799 /nfs/dbraw/zinc/40/47/99/573404799.db2.gz ZSKKHRVAPYCXDI-MMWGEVLESA-N 1 0 193.294 1.148 10 30 ADEERO C#CC(C)(C)[NH+]1CCC(CO)CC1 118546470 573406041 /nfs/dbraw/zinc/40/60/41/573406041.db2.gz WIGNZNICRYQDBR-UHFFFAOYSA-N 1 0 181.279 1.103 10 30 ADEERO CC[C@H]1C[NH2+][C@H](CC)CN1[C@@H](C)C#N 83117742 573406061 /nfs/dbraw/zinc/40/60/61/573406061.db2.gz WSNKNVGGWPYWSX-AXFHLTTASA-N 1 0 195.310 1.361 10 30 ADEERO C=C(CC)C[NH2+]C(CC)(CC)C(N)=O 308576728 573407740 /nfs/dbraw/zinc/40/77/40/573407740.db2.gz DSGVKGLAKWDCGI-UHFFFAOYSA-N 1 0 198.310 1.586 10 30 ADEERO C=CCC[NH2+]Cc1ccccc1N 126180201 573407074 /nfs/dbraw/zinc/40/70/74/573407074.db2.gz IDXKBRXPASDKHV-UHFFFAOYSA-N 1 0 176.263 1.935 10 30 ADEERO C=CC[C@@](C)(O)C[C@@H]1CCCC[NH2+]1 133516762 573407075 /nfs/dbraw/zinc/40/70/75/573407075.db2.gz DRSLDZYVYREHCW-WDEREUQCSA-N 1 0 183.295 1.846 10 30 ADEERO CCOC(=O)[C@@H](CCC#N)[C@@H](C)[NH2+]C 308576147 573407076 /nfs/dbraw/zinc/40/70/76/573407076.db2.gz DMTPXAYRHAEZSJ-BDAKNGLRSA-N 1 0 198.266 1.077 10 30 ADEERO C#Cc1cccc([C@H]2COCC[NH2+]2)c1 211747181 573407190 /nfs/dbraw/zinc/40/71/90/573407190.db2.gz ORXWMYJVFXHSRD-GFCCVEGCSA-N 1 0 187.242 1.329 10 30 ADEERO C[C@@H](O)C[C@@H]1CCCC[N@@H+]1CCC=O 308576024 573407225 /nfs/dbraw/zinc/40/72/25/573407225.db2.gz HIPHVISOABKOSL-MNOVXSKESA-N 1 0 199.294 1.201 10 30 ADEERO C[C@H](O)C[C@H]1CCCC[N@@H+]1CCC=O 308576026 573407324 /nfs/dbraw/zinc/40/73/24/573407324.db2.gz HIPHVISOABKOSL-WDEREUQCSA-N 1 0 199.294 1.201 10 30 ADEERO C[C@@H](CC#N)[NH2+]CC(C)(C)C[C@@H](C)O 308576706 573407346 /nfs/dbraw/zinc/40/73/46/573407346.db2.gz DRVGCBIXSLPUFC-VHSXEESVSA-N 1 0 198.310 1.675 10 30 ADEERO C[C@@H](O)CC(C)(C)C[NH2+][C@H](C)CC#N 308576509 573407402 /nfs/dbraw/zinc/40/74/02/573407402.db2.gz DRVGCBIXSLPUFC-NXEZZACHSA-N 1 0 198.310 1.675 10 30 ADEERO C[C@H](O)CC(C)(C)C[NH2+][C@H](C)CC#N 308576708 573407421 /nfs/dbraw/zinc/40/74/21/573407421.db2.gz DRVGCBIXSLPUFC-ZJUUUORDSA-N 1 0 198.310 1.675 10 30 ADEERO CCCCC[NH2+]C[C@H](S)CS 238189034 573407580 /nfs/dbraw/zinc/40/75/80/573407580.db2.gz QTHDWVZDRPOFPM-QMMMGPOBSA-N 1 0 193.381 1.994 10 30 ADEERO CC[C@@H]1C[C@H](C#N)C[N@@H+]1C 107217542 573407692 /nfs/dbraw/zinc/40/76/92/573407692.db2.gz FVKHHETZDQHPEX-HTQZYQBOSA-N 1 0 138.214 1.240 10 30 ADEERO C[N@H+](C/C=C/CS)[C@@H]1CCOC1 133549458 573408133 /nfs/dbraw/zinc/40/81/33/573408133.db2.gz QYSTVHRRZXBIIH-GKQMSVHHSA-N 1 0 187.308 1.193 10 30 ADEERO C[C@H]1[C@H](CC#N)CC[N@@H+]1C 107217576 573408171 /nfs/dbraw/zinc/40/81/71/573408171.db2.gz DINGFJDUCVXMGU-JGVFFNPUSA-N 1 0 138.214 1.240 10 30 ADEERO CCC[C@@H]1C[C@@H]1[NH2+]CCO[C@H](C)C#N 308576330 573408173 /nfs/dbraw/zinc/40/81/73/573408173.db2.gz HQWZGVRUEZNJES-MXWKQRLJSA-N 1 0 196.294 1.693 10 30 ADEERO C/C=C/CC[NH2+][C@@H]1CCCO[C@@H]1C#N 308576176 573408180 /nfs/dbraw/zinc/40/81/80/573408180.db2.gz DNJLEPAVNLAYAB-WUNPDAOYSA-N 1 0 194.278 1.613 10 30 ADEERO C[C@H]1C[C@@H](CC#N)C[N@@H+]1C 107217570 573408883 /nfs/dbraw/zinc/40/88/83/573408883.db2.gz BSFHVYZXLPOXIT-JGVFFNPUSA-N 1 0 138.214 1.240 10 30 ADEERO CCCCCCCCNC1=[NH+]CCN1 126179194 573408430 /nfs/dbraw/zinc/40/84/30/573408430.db2.gz NVPIJZSNQCNRPT-UHFFFAOYSA-N 1 0 197.326 1.896 10 30 ADEERO C[C@H]1C[NH2+]CC(C)(C)[C@H]1CC#N 258646881 573408547 /nfs/dbraw/zinc/40/85/47/573408547.db2.gz ZFPISZVMXNPEHH-IUCAKERBSA-N 1 0 166.268 1.782 10 30 ADEERO C[C@H](CS)C[N@H+](C)[C@@H]1CCOC1 133548161 573408573 /nfs/dbraw/zinc/40/85/73/573408573.db2.gz ZWKROCVHZORLKE-DTWKUNHWSA-N 1 0 189.324 1.273 10 30 ADEERO C=CC/C=C\CC[NH2+]C 211664929 573408617 /nfs/dbraw/zinc/40/86/17/573408617.db2.gz PTOUBPRSXWKYLB-WAYWQWQTSA-N 1 0 125.215 1.728 10 30 ADEERO CC#CCN1C[C@H](CC)[NH2+]C[C@H]1CC 83117880 573408653 /nfs/dbraw/zinc/40/86/53/573408653.db2.gz KYQIBRNCXDTOMJ-NWDGAFQWSA-N 1 0 194.322 1.472 10 30 ADEERO N#CCc1nc2c(s1)CCC[C@H]2[NH3+] 83117090 573408779 /nfs/dbraw/zinc/40/87/79/573408779.db2.gz QSBJCIPPDRCFEN-ZCFIWIBFSA-N 1 0 193.275 1.545 10 30 ADEERO CC[C@H](C#N)O[C@@H]1CC[C@H]([NH3+])C1 86405517 573409648 /nfs/dbraw/zinc/40/96/48/573409648.db2.gz YRNFJTUZMQOBSN-DJLDLDEBSA-N 1 0 168.240 1.185 10 30 ADEERO C[C@@H]1[C@H](CC#N)CC[N@@H+]1C 107217573 573409651 /nfs/dbraw/zinc/40/96/51/573409651.db2.gz DINGFJDUCVXMGU-HTQZYQBOSA-N 1 0 138.214 1.240 10 30 ADEERO C=CC[C@](C)(O)C[C@@H]1CCCC[NH2+]1 133516941 573409668 /nfs/dbraw/zinc/40/96/68/573409668.db2.gz DRSLDZYVYREHCW-QWRGUYRKSA-N 1 0 183.295 1.846 10 30 ADEERO C=CC[C@H]([NH3+])c1ccc(CCO)cc1 238658433 573409806 /nfs/dbraw/zinc/40/98/06/573409806.db2.gz NMKNULMMGSLESH-LBPRGKRZSA-N 1 0 191.274 1.797 10 30 ADEERO C[C@H]1[C@@H](CC#N)CC[N@@H+]1C 107217581 573409948 /nfs/dbraw/zinc/40/99/48/573409948.db2.gz DINGFJDUCVXMGU-YUMQZZPRSA-N 1 0 138.214 1.240 10 30 ADEERO C[N@H+](C/C=C/CS)[C@H]1CCOC1 133549680 573409982 /nfs/dbraw/zinc/40/99/82/573409982.db2.gz QYSTVHRRZXBIIH-HPOULIHZSA-N 1 0 187.308 1.193 10 30 ADEERO CC[C@H]1C[C@H](C#N)C[N@@H+]1C 107217545 573410002 /nfs/dbraw/zinc/41/00/02/573410002.db2.gz FVKHHETZDQHPEX-SFYZADRCSA-N 1 0 138.214 1.240 10 30 ADEERO C=CC[C@](C)(O)C[C@H]1CCCC[NH2+]1 133517315 573411002 /nfs/dbraw/zinc/41/10/02/573411002.db2.gz DRSLDZYVYREHCW-MNOVXSKESA-N 1 0 183.295 1.846 10 30 ADEERO CC[C@H](C#N)O[C@@H]1CCC[C@H]([NH3+])C1 86407343 573411006 /nfs/dbraw/zinc/41/10/06/573411006.db2.gz ZMWQFWRWGVNZNE-IVZWLZJFSA-N 1 0 182.267 1.575 10 30 ADEERO CC[N@@H+]1CC[C@@H](n2cc(C#N)cn2)C1 257811100 573411073 /nfs/dbraw/zinc/41/10/73/573411073.db2.gz AYNLHEKROYPPQP-SNVBAGLBSA-N 1 0 190.250 1.021 10 30 ADEERO C#CC[C@@H](CC)[NH2+][C@@H](C)c1ncc[nH]1 308578908 573411220 /nfs/dbraw/zinc/41/12/20/573411220.db2.gz FRLITBDJENEBDD-VHSXEESVSA-N 1 0 191.278 1.862 10 30 ADEERO C=C[C@@H]([NH3+])c1ccc(N)cc1OC 238381958 573411226 /nfs/dbraw/zinc/41/12/26/573411226.db2.gz AMHXNECLSVMFFU-SECBINFHSA-N 1 0 178.235 1.463 10 30 ADEERO CC[C@@H](C#N)C[N@H+](C)C(C)C 259098013 573411442 /nfs/dbraw/zinc/41/14/42/573411442.db2.gz WPNVOVDKEVIECK-VIFPVBQESA-N 1 0 154.257 1.876 10 30 ADEERO C[N@@H+]1C[C@H](C#N)CC1(C)C 107217557 573411462 /nfs/dbraw/zinc/41/14/62/573411462.db2.gz YCEOQXWHYHGZHX-ZETCQYMHSA-N 1 0 138.214 1.240 10 30 ADEERO Cc1ccsc1[C@H](S)C[NH3+] 259097000 573411486 /nfs/dbraw/zinc/41/14/86/573411486.db2.gz FFIVEBBDWARCLY-ZCFIWIBFSA-N 1 0 173.306 1.986 10 30 ADEERO CC[N@@H+]1CC[C@H](n2cc(C#N)cn2)C1 257811099 573411679 /nfs/dbraw/zinc/41/16/79/573411679.db2.gz AYNLHEKROYPPQP-JTQLQIEISA-N 1 0 190.250 1.021 10 30 ADEERO C=CCCC[NH2+][C@H]1CCCN(C)C1=O 308577573 573411804 /nfs/dbraw/zinc/41/18/04/573411804.db2.gz FCBWTAPMPHBEFA-JTQLQIEISA-N 1 0 196.294 1.163 10 30 ADEERO C#CCCO[C@@H]1CCC[C@H]([NH3+])C1 86407138 573411835 /nfs/dbraw/zinc/41/18/35/573411835.db2.gz QKDJNKFLGBCRBT-VHSXEESVSA-N 1 0 167.252 1.296 10 30 ADEERO C[C@H](C#N)O[C@H]1CCC[C@H]([NH3+])C1 86407806 573411906 /nfs/dbraw/zinc/41/19/06/573411906.db2.gz MYMGZOJAJWREGF-VGMNWLOBSA-N 1 0 168.240 1.185 10 30 ADEERO CCCC(C)=[NH+]n1c(C)nnc1C 308387344 573414546 /nfs/dbraw/zinc/41/45/46/573414546.db2.gz XRZKINVJODTOSL-UHFFFAOYSA-N 1 0 180.255 1.919 10 30 ADEERO C[C@H]1[C@H](CC#N)CCC[N@@H+]1C 107219016 573414548 /nfs/dbraw/zinc/41/45/48/573414548.db2.gz YWMHTGGTMAJAQW-IUCAKERBSA-N 1 0 152.241 1.630 10 30 ADEERO C[C@H](O)C[C@@H]1CCCC[N@@H+]1C[C@@H]1CO1 308578563 573413219 /nfs/dbraw/zinc/41/32/19/573413219.db2.gz IQFYJJIGRCULGS-GARJFASQSA-N 1 0 199.294 1.011 10 30 ADEERO C[C@H](C#N)CN[C@@H]1CCC[C@H]([NH3+])C1 86404013 573413391 /nfs/dbraw/zinc/41/33/91/573413391.db2.gz KNFRQPSSGISNNR-KXUCPTDWSA-N 1 0 181.283 1.006 10 30 ADEERO C=C[C@H](C)O[C@H]1CC[C@H]([NH3+])C1 86406370 573413560 /nfs/dbraw/zinc/41/35/60/573413560.db2.gz MZSXPEBZWARATO-CIUDSAMLSA-N 1 0 155.241 1.457 10 30 ADEERO CC(C)[N@@H+]1C[C@@H](C#N)C[C@H]1C 107218985 573413648 /nfs/dbraw/zinc/41/36/48/573413648.db2.gz FDPCFSWKQTXIIS-RKDXNWHRSA-N 1 0 152.241 1.629 10 30 ADEERO C[NH+](C)C1(CNCC#N)CCCCC1 308580768 573414588 /nfs/dbraw/zinc/41/45/88/573414588.db2.gz GJSJZOMFYQCGCI-UHFFFAOYSA-N 1 0 195.310 1.364 10 30 ADEERO CC(C)[C@H]1C[C@H](C#N)C[N@@H+]1C 107218935 573413852 /nfs/dbraw/zinc/41/38/52/573413852.db2.gz VVUDGCWRJDYGAZ-RKDXNWHRSA-N 1 0 152.241 1.486 10 30 ADEERO C[C@H]1[C@@H](CC#N)CCC[N@@H+]1C 107219021 573414095 /nfs/dbraw/zinc/41/40/95/573414095.db2.gz YWMHTGGTMAJAQW-DTWKUNHWSA-N 1 0 152.241 1.630 10 30 ADEERO C#CCON1C[C@@H](CCC)[NH2+]C[C@@H]1C 308579498 573414448 /nfs/dbraw/zinc/41/44/48/573414448.db2.gz OLMPIVQGUOGPHJ-WDEREUQCSA-N 1 0 196.294 1.014 10 30 ADEERO CC[C@H]1C[C@H](C#N)CC[N@@H+]1C 107218949 573415070 /nfs/dbraw/zinc/41/50/70/573415070.db2.gz PQPSIZARTYCBJF-BDAKNGLRSA-N 1 0 152.241 1.630 10 30 ADEERO CC(C)[C@@H]1C[C@H](C#N)C[N@@H+]1C 107218931 573415120 /nfs/dbraw/zinc/41/51/20/573415120.db2.gz VVUDGCWRJDYGAZ-BDAKNGLRSA-N 1 0 152.241 1.486 10 30 ADEERO C[C@@H]1CC[C@H]([NH2+]CCC#N)CO1 335655832 573415306 /nfs/dbraw/zinc/41/53/06/573415306.db2.gz LASGJXLXGFCHLC-BDAKNGLRSA-N 1 0 168.240 1.057 10 30 ADEERO CC[C@@H]1C[C@@H](C#N)CC[N@@H+]1C 107218952 573415421 /nfs/dbraw/zinc/41/54/21/573415421.db2.gz PQPSIZARTYCBJF-DTWKUNHWSA-N 1 0 152.241 1.630 10 30 ADEERO CC(C)[N@@H+]1C[C@@H](C#N)C[C@@H]1C 107218989 573415451 /nfs/dbraw/zinc/41/54/51/573415451.db2.gz FDPCFSWKQTXIIS-DTWKUNHWSA-N 1 0 152.241 1.629 10 30 ADEERO C=CCN(CC)C(=O)[C@@](C)([NH3+])C1CC1 133581639 573415494 /nfs/dbraw/zinc/41/54/94/573415494.db2.gz ARVGHZSNWVFEJM-NSHDSACASA-N 1 0 196.294 1.148 10 30 ADEERO C=CC[C@H](C)[C@@H]([NH2+]CC)c1cnn[n-]1 715798652 573415514 /nfs/dbraw/zinc/41/55/14/573415514.db2.gz WRWPOTRRWGVEBK-WCBMZHEXSA-N 1 0 194.282 1.668 10 30 ADEERO C=CCNC(=[NH+]CCC)N(C)C 308387481 573415580 /nfs/dbraw/zinc/41/55/80/573415580.db2.gz VQOYEQJOYFFXPR-UHFFFAOYSA-N 1 0 169.272 1.090 10 30 ADEERO C=C[C@@H](C)[NH2+][C@@H](CCOC)COC 308386498 573415700 /nfs/dbraw/zinc/41/57/00/573415700.db2.gz UWUXXHCUAONRNX-ZJUUUORDSA-N 1 0 187.283 1.202 10 30 ADEERO C#CCON1C[C@H](CCC)[NH2+]C[C@H]1C 308579496 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ADEERO C=CCN[C@@]1(C#N)CCC[N@@H+](C)CC1 83419640 573491783 /nfs/dbraw/zinc/49/17/83/573491783.db2.gz NFIZRHIQQIGFAN-NSHDSACASA-N 1 0 193.294 1.140 10 30 ADEERO CCCNC(=[NH2+])SCc1ccno1 308394493 573491939 /nfs/dbraw/zinc/49/19/39/573491939.db2.gz CNOOJJRJWKVXKT-UHFFFAOYSA-N 1 0 199.279 1.633 10 30 ADEERO C[NH+](C)[C@H]1CCC[C@H]1CC#N 259472376 573491974 /nfs/dbraw/zinc/49/19/74/573491974.db2.gz BUAZVOATESDNLP-IUCAKERBSA-N 1 0 152.241 1.630 10 30 ADEERO CC(C)N[C@@]1(C#N)CCC[N@H+](C)CC1 83419526 573491984 /nfs/dbraw/zinc/49/19/84/573491984.db2.gz GGJOYBBLDZPZBX-NSHDSACASA-N 1 0 195.310 1.362 10 30 ADEERO C[C@@H](C#N)CN[C@@H]1CCC[N@H+](C)CC1 83418790 573492019 /nfs/dbraw/zinc/49/20/19/573492019.db2.gz PDXQPYMAYAWHGG-WDEREUQCSA-N 1 0 195.310 1.220 10 30 ADEERO C=C(CCO)[C@H]1CCC[N@@H+](CC)C1 258040376 573492123 /nfs/dbraw/zinc/49/21/23/573492123.db2.gz CNHUYJWCVZFGGO-NSHDSACASA-N 1 0 183.295 1.657 10 30 ADEERO N#CCCN(CC1(F)CC1)C1CC1 308394812 573492144 /nfs/dbraw/zinc/49/21/44/573492144.db2.gz CRRDYVQGTJPJPX-UHFFFAOYSA-N 1 0 182.242 1.867 10 30 ADEERO CCCCC[N@@H+]1CC[C@H](NCC#N)C1 259470167 573492197 /nfs/dbraw/zinc/49/21/97/573492197.db2.gz XXYDIYIKECWFOY-NSHDSACASA-N 1 0 195.310 1.364 10 30 ADEERO CC#CCN[C@H]1CC[N@@H+](CC)C[C@@H]1C 222682850 573492750 /nfs/dbraw/zinc/49/27/50/573492750.db2.gz JAWZRHNTFAVDME-RYUDHWBXSA-N 1 0 194.322 1.330 10 30 ADEERO CCCCC[N@@H+]1CC[C@@H](NCC#N)C1 259470165 573492824 /nfs/dbraw/zinc/49/28/24/573492824.db2.gz XXYDIYIKECWFOY-LLVKDONJSA-N 1 0 195.310 1.364 10 30 ADEERO N#CCC[NH2+][C@H]1CCCOCC1 83424753 573493187 /nfs/dbraw/zinc/49/31/87/573493187.db2.gz HZXVVKPVXGHCSG-VIFPVBQESA-N 1 0 168.240 1.059 10 30 ADEERO Cc1c[nH+]c2n1[C@H](C#N)CCC2 259472299 573493728 /nfs/dbraw/zinc/49/37/28/573493728.db2.gz BPNZGSBAIIFGSZ-QMMMGPOBSA-N 1 0 161.208 1.593 10 30 ADEERO C#CCCC[N@@H+](C)CC(C)(C)C#N 308393741 573494844 /nfs/dbraw/zinc/49/48/44/573494844.db2.gz CAZRTJDHMXKJHB-UHFFFAOYSA-N 1 0 178.279 1.881 10 30 ADEERO C[C@@H]([NH3+])CCc1ccc(N)c(C#N)c1 238420808 573494898 /nfs/dbraw/zinc/49/48/98/573494898.db2.gz PNMKZNFBVRMRQJ-MRVPVSSYSA-N 1 0 189.262 1.420 10 30 ADEERO C=CC[NH2+]CC(C)(C)C#N 258695223 573494954 /nfs/dbraw/zinc/49/49/54/573494954.db2.gz QSWZTOOATGEJJD-UHFFFAOYSA-N 1 0 138.214 1.312 10 30 ADEERO CC(C)[C@H]([NH3+])[C@@H](C#N)C(C)C 259613040 573494992 /nfs/dbraw/zinc/49/49/92/573494992.db2.gz XNDJDSZJJGSLPV-IUCAKERBSA-N 1 0 154.257 1.765 10 30 ADEERO C#C[C@H](COC)[NH2+][C@@H]1C[C@@H](C)[C@@H]1C 308395687 573495037 /nfs/dbraw/zinc/49/50/37/573495037.db2.gz DIUMTZQOMDWGTH-LMLFDSFASA-N 1 0 181.279 1.269 10 30 ADEERO [NH3+]C[C@H](CS)c1ccc(O)cc1 258040559 573495297 /nfs/dbraw/zinc/49/52/97/573495297.db2.gz BENHDTRTNGPSNO-MRVPVSSYSA-N 1 0 183.276 1.364 10 30 ADEERO C=C[C@H]1CC(=O)[C@]2(C)CCCC[N@H+]12 238428751 573496300 /nfs/dbraw/zinc/49/63/00/573496300.db2.gz RREBJTJHKRDYSZ-ONGXEEELSA-N 1 0 179.263 1.758 10 30 ADEERO C=CCN1C[C@@H]([NH2+]C)CCC1(C)C 259478545 573496308 /nfs/dbraw/zinc/49/63/08/573496308.db2.gz RFFFWWBWLUOXLA-JTQLQIEISA-N 1 0 182.311 1.635 10 30 ADEERO C[N@@H+]1CCC[C@@H](CNC(C)(C)C#N)C1 258695163 573496339 /nfs/dbraw/zinc/49/63/39/573496339.db2.gz DEYPIAOPLONDKI-JTQLQIEISA-N 1 0 195.310 1.220 10 30 ADEERO CCCC[N@@H+]1CCC[C@H](NCC#N)C1 258689507 573496378 /nfs/dbraw/zinc/49/63/78/573496378.db2.gz WXSPYXJPNFMROH-NSHDSACASA-N 1 0 195.310 1.364 10 30 ADEERO C#C[C@H](COC)[NH2+][C@@H]1C[C@H](C)[C@H]1C 308395688 573496427 /nfs/dbraw/zinc/49/64/27/573496427.db2.gz DIUMTZQOMDWGTH-LNFKQOIKSA-N 1 0 181.279 1.269 10 30 ADEERO CN(CC#N)CCC1CC[NH+](C)CC1 258687200 573496438 /nfs/dbraw/zinc/49/64/38/573496438.db2.gz BCOMNVFTLQNQGB-UHFFFAOYSA-N 1 0 195.310 1.174 10 30 ADEERO N#CCC[NH2+][C@@H]1CCCOCC1 83424755 573496466 /nfs/dbraw/zinc/49/64/66/573496466.db2.gz HZXVVKPVXGHCSG-SECBINFHSA-N 1 0 168.240 1.059 10 30 ADEERO [NH3+]C[C@@H](CS)c1ccc(O)cc1 258044471 573496481 /nfs/dbraw/zinc/49/64/81/573496481.db2.gz BENHDTRTNGPSNO-QMMMGPOBSA-N 1 0 183.276 1.364 10 30 ADEERO C[N@@H+]1CCC[C@H](CNC(C)(C)C#N)C1 258695168 573496547 /nfs/dbraw/zinc/49/65/47/573496547.db2.gz DEYPIAOPLONDKI-SNVBAGLBSA-N 1 0 195.310 1.220 10 30 ADEERO C=CC[N@H+]1C[C@H](C#N)CC1(C)C 259474636 573496558 /nfs/dbraw/zinc/49/65/58/573496558.db2.gz RAGJFUGBGWFYTH-VIFPVBQESA-N 1 0 164.252 1.796 10 30 ADEERO C=C(C)C[NH2+][C@H]1CC[C@@H](C)OC1 401925988 573496616 /nfs/dbraw/zinc/49/66/16/573496616.db2.gz LRCNWGCIWVMPTN-ZJUUUORDSA-N 1 0 169.268 1.720 10 30 ADEERO CC(C)[C@H]([NH3+])[C@H](C#N)C(C)C 259613030 573496665 /nfs/dbraw/zinc/49/66/65/573496665.db2.gz XNDJDSZJJGSLPV-BDAKNGLRSA-N 1 0 154.257 1.765 10 30 ADEERO C#C[C@@H]1CCC[C@H]([NH2+]CCCCO)C1 393666318 573496810 /nfs/dbraw/zinc/49/68/10/573496810.db2.gz CBWQCAOWFSYIJC-NEPJUHHUSA-N 1 0 195.306 1.541 10 30 ADEERO C[C@H](CCCC#N)[NH+]1CCN(C)CC1 259613072 573496912 /nfs/dbraw/zinc/49/69/12/573496912.db2.gz GTZWQMVDUUSFHM-LLVKDONJSA-N 1 0 195.310 1.316 10 30 ADEERO C[C@@H]([NH3+])c1cc(F)c(F)cc1C#N 238421722 573496953 /nfs/dbraw/zinc/49/69/53/573496953.db2.gz ILAJAKURFPUKDK-RXMQYKEDSA-N 1 0 182.173 1.856 10 30 ADEERO C[C@@H]([NH3+])CCc1ccc(F)cc1C#N 238420529 573497022 /nfs/dbraw/zinc/49/70/22/573497022.db2.gz RVYVYECIUNXZRB-MRVPVSSYSA-N 1 0 192.237 1.977 10 30 ADEERO C#CCC[NH2+][C@@H]1CCCOCC1 83425795 573497096 /nfs/dbraw/zinc/49/70/96/573497096.db2.gz JBXMWMNSROTQAE-SNVBAGLBSA-N 1 0 167.252 1.168 10 30 ADEERO C#C[C@H](COC)[NH2+][C@@H]1C[C@H](C)[C@@H]1C 308395689 573498169 /nfs/dbraw/zinc/49/81/69/573498169.db2.gz DIUMTZQOMDWGTH-UKKRHICBSA-N 1 0 181.279 1.269 10 30 ADEERO C[C@@]([NH3+])(CC#N)c1cc(F)ccc1O 238420790 573497526 /nfs/dbraw/zinc/49/75/26/573497526.db2.gz IDNIDLGRAOFUGG-SNVBAGLBSA-N 1 0 194.209 1.619 10 30 ADEERO CCCC1CC[NH+](CC=O)CC1 50894121 573497577 /nfs/dbraw/zinc/49/75/77/573497577.db2.gz XDLYDTXMWATRST-UHFFFAOYSA-N 1 0 169.268 1.697 10 30 ADEERO [NH3+]C[C@H](S)c1ccccc1F 259107714 573498077 /nfs/dbraw/zinc/49/80/77/573498077.db2.gz FVZTXZKHAVSQJR-QMMMGPOBSA-N 1 0 171.240 1.755 10 30 ADEERO CC(C)[C@H](C#N)[C@H]([NH3+])C(C)C 259613034 573497744 /nfs/dbraw/zinc/49/77/44/573497744.db2.gz XNDJDSZJJGSLPV-DTWKUNHWSA-N 1 0 154.257 1.765 10 30 ADEERO C[C@H](C#N)N(C)C[C@@H]1CCC[N@H+](C)C1 258705250 573497763 /nfs/dbraw/zinc/49/77/63/573497763.db2.gz FBEMSPMJZKTJKQ-GHMZBOCLSA-N 1 0 195.310 1.172 10 30 ADEERO N#Cc1cc(CC[NH3+])c(F)cc1F 258047824 573497849 /nfs/dbraw/zinc/49/78/49/573497849.db2.gz KKGHHDVPSXQMIE-UHFFFAOYSA-N 1 0 182.173 1.338 10 30 ADEERO C=C(CCO)C[C@H]1CCCC[NH2+]1 258047061 573498004 /nfs/dbraw/zinc/49/80/04/573498004.db2.gz CVJKMLJBLVFWHI-SNVBAGLBSA-N 1 0 169.268 1.457 10 30 ADEERO C[C@H]([NH3+])c1cc(Cl)c(C#N)cc1[O-] 238417649 573498404 /nfs/dbraw/zinc/49/84/04/573498404.db2.gz ISMDLOBVRAHVPG-YFKPBYRVSA-N 1 0 196.637 1.937 10 30 ADEERO CC#CC[C@@H]([NH2+]CCC)[C@H](C)OC 86580116 573498363 /nfs/dbraw/zinc/49/83/63/573498363.db2.gz PXXYESNFLQEKGV-WDEREUQCSA-N 1 0 183.295 1.803 10 30 ADEERO C#CCN(CC1CC1)C[C@H]([NH3+])C(C)C 130255901 573498683 /nfs/dbraw/zinc/49/86/83/573498683.db2.gz UHDRQUPDADYDDD-LBPRGKRZSA-N 1 0 194.322 1.315 10 30 ADEERO CCCC[N@@H+]1CC[C@@H](N(C)CC#N)C1 258698997 573498770 /nfs/dbraw/zinc/49/87/70/573498770.db2.gz XTHDNDQZYHBBID-LLVKDONJSA-N 1 0 195.310 1.316 10 30 ADEERO Cc1cc([O-])c([C@@H](C)[NH3+])cc1C#N 238417588 573498823 /nfs/dbraw/zinc/49/88/23/573498823.db2.gz XPAZJIRPRSEYOQ-SSDOTTSWSA-N 1 0 176.219 1.592 10 30 ADEERO COCC#CC[NH2+][C@H](C)c1ccoc1 308607355 573498884 /nfs/dbraw/zinc/49/88/84/573498884.db2.gz PULYHDMUWXBPQP-SNVBAGLBSA-N 1 0 193.246 1.580 10 30 ADEERO C#C[C@H](COC)[NH2+]CCCC(C)C 308397831 573498939 /nfs/dbraw/zinc/49/89/39/573498939.db2.gz FIOFJABPGVRIHI-LLVKDONJSA-N 1 0 183.295 1.660 10 30 ADEERO C#CCCC[NH2+][C@@H]1CN(CC)C[C@@H]1C 308609611 573502717 /nfs/dbraw/zinc/50/27/17/573502717.db2.gz QHUWDAXOTHTPRD-NWDGAFQWSA-N 1 0 194.322 1.330 10 30 ADEERO Cc1c(C#N)cc([C@@H](C)[NH3+])c([O-])c1C 238417569 573501425 /nfs/dbraw/zinc/50/14/25/573501425.db2.gz WYTBEJYBOMVWFJ-MRVPVSSYSA-N 1 0 190.246 1.900 10 30 ADEERO CC[C@H](C#N)CN1CC[NH+](CC)CC1 258759453 573501428 /nfs/dbraw/zinc/50/14/28/573501428.db2.gz XRPVEZTVCZZNIU-LLVKDONJSA-N 1 0 195.310 1.174 10 30 ADEERO C[C@H]1OCC[C@@H]1C[NH2+]CCCCC#N 235612626 573501524 /nfs/dbraw/zinc/50/15/24/573501524.db2.gz SLXQUQDDSJBEIS-GHMZBOCLSA-N 1 0 196.294 1.695 10 30 ADEERO CC[N@@H+]1CCC[C@H]1CC#CC(=O)OC 258047253 573501557 /nfs/dbraw/zinc/50/15/57/573501557.db2.gz CXCMQMVNUICJTA-SNVBAGLBSA-N 1 0 195.262 1.037 10 30 ADEERO C[C@]1(F)CCC[N@H+](CC=O)CC1 258044754 573501760 /nfs/dbraw/zinc/50/17/60/573501760.db2.gz JMPIQBXOBQIJLR-VIFPVBQESA-N 1 0 173.231 1.399 10 30 ADEERO C[C@@H]([NH3+])c1cc(C#N)c(Cl)cc1[O-] 238417608 573501793 /nfs/dbraw/zinc/50/17/93/573501793.db2.gz IRGMHKTYBKLUAD-RXMQYKEDSA-N 1 0 196.637 1.937 10 30 ADEERO Cc1cc([C@@H](C)[NH3+])cc(C#N)c1N 238418707 573501829 /nfs/dbraw/zinc/50/18/29/573501829.db2.gz DIWZHCQYUPJWGO-SSDOTTSWSA-N 1 0 175.235 1.469 10 30 ADEERO C=C[C@@H](CO)[NH2+]C1CCC(OC)CC1 308608798 573501893 /nfs/dbraw/zinc/50/18/93/573501893.db2.gz QCNSHPYFOOIONL-WHXUTIOJSA-N 1 0 199.294 1.081 10 30 ADEERO C=CC[C@@H](CO)[NH2+]Cc1ccc[nH]1 308399117 573501909 /nfs/dbraw/zinc/50/19/09/573501909.db2.gz HEMDANOHNPQLBO-JTQLQIEISA-N 1 0 180.251 1.041 10 30 ADEERO C[C@@H]1CCC[C@H](CCS)[NH2+]1 238418585 573502001 /nfs/dbraw/zinc/50/20/01/573502001.db2.gz OAPAMJHWRMDUJY-HTQZYQBOSA-N 1 0 159.298 1.837 10 30 ADEERO C=C1CCC[N@@H+](C[C@H](C)COC)C1 308397900 573502008 /nfs/dbraw/zinc/50/20/08/573502008.db2.gz FNEFROBGQUYZIH-NSHDSACASA-N 1 0 183.295 1.921 10 30 ADEERO CC[C@@H](C#N)CN1CC[NH+](CC)CC1 258759456 573502168 /nfs/dbraw/zinc/50/21/68/573502168.db2.gz XRPVEZTVCZZNIU-NSHDSACASA-N 1 0 195.310 1.174 10 30 ADEERO C[C@@H]([NH3+])CCc1cc(F)cc(C#N)c1 238418484 573502326 /nfs/dbraw/zinc/50/23/26/573502326.db2.gz TVENKLZHSQNMLR-MRVPVSSYSA-N 1 0 192.237 1.977 10 30 ADEERO C[N@@H+](CC=O)CCCCC(C)(C)C#N 714703437 573502327 /nfs/dbraw/zinc/50/23/27/573502327.db2.gz BKNPXJYUSNRPKI-UHFFFAOYSA-N 1 0 196.294 1.837 10 30 ADEERO N#Cc1scc2c1C[NH2+]CC2 259480799 573502336 /nfs/dbraw/zinc/50/23/36/573502336.db2.gz AIEZNGRVWZBQMG-UHFFFAOYSA-N 1 0 164.233 1.265 10 30 ADEERO N#CC1(C[NH2+]C2CCCCC2)COC1 258697318 573502344 /nfs/dbraw/zinc/50/23/44/573502344.db2.gz QXGZZNTYMWGXDI-UHFFFAOYSA-N 1 0 194.278 1.449 10 30 ADEERO C[C@H](C#N)N(C)C[C@H]1CCC[N@H+](C)C1 258705252 573502425 /nfs/dbraw/zinc/50/24/25/573502425.db2.gz FBEMSPMJZKTJKQ-MNOVXSKESA-N 1 0 195.310 1.172 10 30 ADEERO C[C@@H](O)[C@@H]([NH3+])c1cc(F)ccc1C#N 238417329 573502442 /nfs/dbraw/zinc/50/24/42/573502442.db2.gz NLUFTLRUJVBQIA-LHLIQPBNSA-N 1 0 194.209 1.078 10 30 ADEERO C=C1CCC[N@@H+](C[C@@H](C)COC)C1 308397899 573502659 /nfs/dbraw/zinc/50/26/59/573502659.db2.gz FNEFROBGQUYZIH-LLVKDONJSA-N 1 0 183.295 1.921 10 30 ADEERO C[NH+](C)[C@@H](CCC#N)c1ccc[nH]1 259477796 573502627 /nfs/dbraw/zinc/50/26/27/573502627.db2.gz KNDACXTUEHHKDJ-JTQLQIEISA-N 1 0 177.251 1.921 10 30 ADEERO CCCC[N@@H+]1CC[C@H](N(C)CC#N)C1 258699000 573502638 /nfs/dbraw/zinc/50/26/38/573502638.db2.gz XTHDNDQZYHBBID-NSHDSACASA-N 1 0 195.310 1.316 10 30 ADEERO C=C[C@@H](C)c1noc(CCC[NH2+]C)n1 308867942 573502648 /nfs/dbraw/zinc/50/26/48/573502648.db2.gz HFUHXSRTDYSIKY-MRVPVSSYSA-N 1 0 195.266 1.511 10 30 ADEERO C[NH2+]CCCNc1ccccc1C#N 258710036 573504687 /nfs/dbraw/zinc/50/46/87/573504687.db2.gz KQFOSQBSKXNTFQ-UHFFFAOYSA-N 1 0 189.262 1.580 10 30 ADEERO C#C[C@@H](COC)[NH2+]CCCC(C)C 308397832 573503744 /nfs/dbraw/zinc/50/37/44/573503744.db2.gz FIOFJABPGVRIHI-NSHDSACASA-N 1 0 183.295 1.660 10 30 ADEERO C[C@H]([NH3+])c1cc(F)c(F)cc1C#N 238419434 573503977 /nfs/dbraw/zinc/50/39/77/573503977.db2.gz ILAJAKURFPUKDK-YFKPBYRVSA-N 1 0 182.173 1.856 10 30 ADEERO C[NH2+]C[C@@H](C#N)c1c[nH]c2ccccc12 258499921 573504019 /nfs/dbraw/zinc/50/40/19/573504019.db2.gz DHDNALDBTWRUDW-SECBINFHSA-N 1 0 199.257 1.994 10 30 ADEERO C=C[C@H](CO)Nc1[nH+]cc(C)cc1C 717459953 573504134 /nfs/dbraw/zinc/50/41/34/573504134.db2.gz NMAPBNOLIBLGIG-SNVBAGLBSA-N 1 0 192.262 1.657 10 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/nfs/dbraw/zinc/46/90/94/582469094.db2.gz GNYOZZHYZOMEIF-ZCFIWIBFSA-N 1 0 145.271 1.447 10 30 ADEERO [NH3+]C[C@H]1CCC[C@H](S)C1 757163948 582469188 /nfs/dbraw/zinc/46/91/88/582469188.db2.gz VVOZMOAPVBOMDB-BQBZGAKWSA-N 1 0 145.271 1.434 10 30 ADEERO [NH3+][C@@H](CCC=O)CC(F)(F)F 757171439 582470600 /nfs/dbraw/zinc/47/06/00/582470600.db2.gz DETADSAIIWMMJN-YFKPBYRVSA-N 1 0 169.146 1.245 10 30 ADEERO CC1([C@@H]([NH3+])CCC=O)CCC1 757171702 582470604 /nfs/dbraw/zinc/47/06/04/582470604.db2.gz IFOAYMLYKTVOOB-QMMMGPOBSA-N 1 0 155.241 1.483 10 30 ADEERO CSC1CC([NH3+])(CCC=O)C1 757172309 582470610 /nfs/dbraw/zinc/47/06/10/582470610.db2.gz KOKAGPZFSFWDHX-UHFFFAOYSA-N 1 0 173.281 1.188 10 30 ADEERO [NH3+][C@H](CCC=O)c1cnsc1 757172248 582470662 /nfs/dbraw/zinc/47/06/62/582470662.db2.gz KDPAYXIUUMYRDA-SSDOTTSWSA-N 1 0 170.237 1.122 10 30 ADEERO CCC1([C@H]([NH3+])CCC=O)CC1 757172354 582470741 /nfs/dbraw/zinc/47/07/41/582470741.db2.gz LLUYBPAYQHFCLK-MRVPVSSYSA-N 1 0 155.241 1.483 10 30 ADEERO [NH3+][C@H](CCC=O)c1cccs1 757171598 582470752 /nfs/dbraw/zinc/47/07/52/582470752.db2.gz GUELBMVCFQHOKK-SSDOTTSWSA-N 1 0 169.249 1.727 10 30 ADEERO C[C@@]([NH3+])(CCC=O)C1CSC1 757171411 582470779 /nfs/dbraw/zinc/47/07/79/582470779.db2.gz CAKGPDHSJUPWRL-MRVPVSSYSA-N 1 0 173.281 1.046 10 30 ADEERO CC1([C@H]([NH3+])CCC=O)CC1 757171669 582470794 /nfs/dbraw/zinc/47/07/94/582470794.db2.gz HSAIABBDBSVDFN-SSDOTTSWSA-N 1 0 141.214 1.093 10 30 ADEERO [NH3+][C@@H](CCC=O)c1cccs1 757171599 582470807 /nfs/dbraw/zinc/47/08/07/582470807.db2.gz GUELBMVCFQHOKK-ZETCQYMHSA-N 1 0 169.249 1.727 10 30 ADEERO [NH3+][C@@H](CCC=O)CC1CCC1 757171336 582470816 /nfs/dbraw/zinc/47/08/16/582470816.db2.gz ALHLAURMJLUQBX-VIFPVBQESA-N 1 0 155.241 1.483 10 30 ADEERO [NH3+][C@H](CCC=O)CC1CCC1 757171333 582470864 /nfs/dbraw/zinc/47/08/64/582470864.db2.gz ALHLAURMJLUQBX-SECBINFHSA-N 1 0 155.241 1.483 10 30 ADEERO CC1([C@H]([NH3+])CCC=O)CCC1 757171695 582470893 /nfs/dbraw/zinc/47/08/93/582470893.db2.gz IFOAYMLYKTVOOB-MRVPVSSYSA-N 1 0 155.241 1.483 10 30 ADEERO C[C@]([NH3+])(CCC=O)C1CSC1 757171415 582470954 /nfs/dbraw/zinc/47/09/54/582470954.db2.gz CAKGPDHSJUPWRL-QMMMGPOBSA-N 1 0 173.281 1.046 10 30 ADEERO CC1([C@@H]([NH3+])CCC=O)CC1 757171673 582470971 /nfs/dbraw/zinc/47/09/71/582470971.db2.gz HSAIABBDBSVDFN-ZETCQYMHSA-N 1 0 141.214 1.093 10 30 ADEERO [NH3+][C@H](CCC=O)CC(F)(F)F 757171438 582471021 /nfs/dbraw/zinc/47/10/21/582471021.db2.gz DETADSAIIWMMJN-RXMQYKEDSA-N 1 0 169.146 1.245 10 30 ADEERO [NH3+][C@@H](CCC=O)c1cnsc1 757172254 582471029 /nfs/dbraw/zinc/47/10/29/582471029.db2.gz KDPAYXIUUMYRDA-ZETCQYMHSA-N 1 0 170.237 1.122 10 30 ADEERO C[C@@H]1C[C@@]1(C)[C@H]([NH3+])CCC=O 757172824 582471216 /nfs/dbraw/zinc/47/12/16/582471216.db2.gz RCJVIXFVYIEJNA-IWSPIJDZSA-N 1 0 155.241 1.339 10 30 ADEERO [NH3+]C1(CCC=O)CCCCC1 757172401 582471218 /nfs/dbraw/zinc/47/12/18/582471218.db2.gz MJYMRNAULROIOQ-UHFFFAOYSA-N 1 0 155.241 1.627 10 30 ADEERO CCSC[C@](C)([NH3+])CCC=O 757172542 582471291 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891270438 582476369 /nfs/dbraw/zinc/47/63/69/582476369.db2.gz QIVMXEOPNNUAEZ-UHFFFAOYSA-N 1 0 196.294 1.163 10 30 ADEERO C=CC(C)(C)NC(=O)C[NH+](CC)CC 891269612 582476434 /nfs/dbraw/zinc/47/64/34/582476434.db2.gz MKXRJEQDPXWMNU-UHFFFAOYSA-N 1 0 198.310 1.409 10 30 ADEERO C=CC[N@@H+](CCF)C1CC1 23804169 582477186 /nfs/dbraw/zinc/47/71/86/582477186.db2.gz FXDBWNGUTYCTTM-UHFFFAOYSA-N 1 0 143.205 1.606 10 30 ADEERO C[C@@H](S)[C@H]1CCC[NH2+]C1 101913613 582480378 /nfs/dbraw/zinc/48/03/78/582480378.db2.gz JMHHQZCEXHRWAA-RQJHMYQMSA-N 1 0 145.271 1.304 10 30 ADEERO C[NH+]=C(NCCCCF)NC1CC1 849030513 582482288 /nfs/dbraw/zinc/48/22/88/582482288.db2.gz PTTGEPVJDLEZAP-UHFFFAOYSA-N 1 0 187.262 1.064 10 30 ADEERO C=CCNC(=[NH2+])N[C@@H]1C[C@H]1C1CC1 849025953 582482357 /nfs/dbraw/zinc/48/23/57/582482357.db2.gz QMBVDATYHQKBIW-DTWKUNHWSA-N 1 0 179.267 1.085 10 30 ADEERO C=C(C)CCNC(=[NH2+])N(C)C 849036798 582482809 /nfs/dbraw/zinc/48/28/09/582482809.db2.gz YKYQJAYFRNTKRW-UHFFFAOYSA-N 1 0 155.245 1.039 10 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/nfs/dbraw/zinc/41/83/62/583418362.db2.gz HNFMDRKBABTECS-QWRGUYRKSA-N 1 0 176.263 1.634 10 30 ADEERO C=CC[N@@H+]1C[C@@H](OC)CC[C@@H]1C 879319761 583418398 /nfs/dbraw/zinc/41/83/98/583418398.db2.gz XDTTWVMGMDNDIU-UWVGGRQHSA-N 1 0 169.268 1.672 10 30 ADEERO CC#CC[N@@H+]1C[C@H](OC)CC[C@@H]1C 879321189 583418498 /nfs/dbraw/zinc/41/84/98/583418498.db2.gz OLBYWCSATHLNHA-WDEREUQCSA-N 1 0 181.279 1.509 10 30 ADEERO CC#CCC[N@@H+]1C[C@H](OC)CC[C@@H]1C 879328336 583418506 /nfs/dbraw/zinc/41/85/06/583418506.db2.gz ZYKJSWADJUEWKW-NWDGAFQWSA-N 1 0 195.306 1.899 10 30 ADEERO C#CCC[N@@H+](C)[C@@H]1CCC[C@@H]1C#N 879309588 583418639 /nfs/dbraw/zinc/41/86/39/583418639.db2.gz HNFMDRKBABTECS-GHMZBOCLSA-N 1 0 176.263 1.634 10 30 ADEERO CC#CC[N@@H+]1C[C@@H](OC)CC[C@H]1C 879321185 583418779 /nfs/dbraw/zinc/41/87/79/583418779.db2.gz OLBYWCSATHLNHA-MNOVXSKESA-N 1 0 181.279 1.509 10 30 ADEERO C#CCC[NH2+]C(C)(C)[C@H]1CCCCO1 879407029 583418968 /nfs/dbraw/zinc/41/89/68/583418968.db2.gz UEHGNCRYVSIZFJ-LLVKDONJSA-N 1 0 195.306 1.947 10 30 ADEERO C=CC[NH2+][C@](C)(CC(=O)OC)C1CC1 879439726 583419198 /nfs/dbraw/zinc/41/91/98/583419198.db2.gz SZKYZAGCAHHHNJ-LLVKDONJSA-N 1 0 197.278 1.494 10 30 ADEERO CC#CC[NH2+]C(C)(C)[C@H]1CCCCO1 879405928 583419236 /nfs/dbraw/zinc/41/92/36/583419236.db2.gz ITOWIHBKRVBTAB-LLVKDONJSA-N 1 0 195.306 1.947 10 30 ADEERO C=CC[NH2+][C@@](C)(CC(=O)OC)C1CC1 879439727 583419249 /nfs/dbraw/zinc/41/92/49/583419249.db2.gz SZKYZAGCAHHHNJ-NSHDSACASA-N 1 0 197.278 1.494 10 30 ADEERO C#CC[NH2+]C(C)(C)[C@@H]1CCCCO1 879408730 583419276 /nfs/dbraw/zinc/41/92/76/583419276.db2.gz NKDVDPDILHRHJS-JTQLQIEISA-N 1 0 181.279 1.557 10 30 ADEERO C#CC[NH2+]C(C)(C)[C@H]1CCCCO1 879408732 583419281 /nfs/dbraw/zinc/41/92/81/583419281.db2.gz NKDVDPDILHRHJS-SNVBAGLBSA-N 1 0 181.279 1.557 10 30 ADEERO C#CCC[NH2+]C(C)(C)[C@@H]1CCCCO1 879407030 583419333 /nfs/dbraw/zinc/41/93/33/583419333.db2.gz UEHGNCRYVSIZFJ-NSHDSACASA-N 1 0 195.306 1.947 10 30 ADEERO C#CC[N@H+](C)CCc1cccc(C#N)c1 879434943 583419376 /nfs/dbraw/zinc/41/93/76/583419376.db2.gz QYIKBDPYEOJBNL-UHFFFAOYSA-N 1 0 198.269 1.666 10 30 ADEERO CC#CC[NH2+]C(C)(C)[C@@H]1CCCCO1 879405930 583419401 /nfs/dbraw/zinc/41/94/01/583419401.db2.gz ITOWIHBKRVBTAB-NSHDSACASA-N 1 0 195.306 1.947 10 30 ADEERO C#CC[N@@H+]1CC[C@H]2CSC[C@@H]2C1 879556069 583419548 /nfs/dbraw/zinc/41/95/48/583419548.db2.gz GZKIZGCNXZQPNE-UWVGGRQHSA-N 1 0 181.304 1.305 10 30 ADEERO C#CC[N@@H+]1CC[C@@H]2CSC[C@@H]2C1 879556071 583419676 /nfs/dbraw/zinc/41/96/76/583419676.db2.gz GZKIZGCNXZQPNE-ZJUUUORDSA-N 1 0 181.304 1.305 10 30 ADEERO C#CC[N@@H+]1CC[C@H]2CSC[C@H]2C1 879556070 583419815 /nfs/dbraw/zinc/41/98/15/583419815.db2.gz GZKIZGCNXZQPNE-VHSXEESVSA-N 1 0 181.304 1.305 10 30 ADEERO C=C(C)CN1CC[C@H]2[C@H](CC[N@H+]2C)C1 879568115 583419883 /nfs/dbraw/zinc/41/98/83/583419883.db2.gz YXIPNAMVFRMGTJ-NEPJUHHUSA-N 1 0 194.322 1.589 10 30 ADEERO C=C(C)CN1CC[C@@H]2[C@H](CC[N@H+]2C)C1 879568118 583419945 /nfs/dbraw/zinc/41/99/45/583419945.db2.gz YXIPNAMVFRMGTJ-VXGBXAGGSA-N 1 0 194.322 1.589 10 30 ADEERO C=CC[N@@H+]1CC[C@H]2CSC[C@H]2C1 879556085 583419983 /nfs/dbraw/zinc/41/99/83/583419983.db2.gz HGGUWOWBNRJKMW-VHSXEESVSA-N 1 0 183.320 1.857 10 30 ADEERO C=CC[N@@H+]1CC[C@H]2CSC[C@@H]2C1 879556084 583420000 /nfs/dbraw/zinc/42/00/00/583420000.db2.gz HGGUWOWBNRJKMW-UWVGGRQHSA-N 1 0 183.320 1.857 10 30 ADEERO C#CC[N@@H+]1CC[C@@H]2CSC[C@H]2C1 879556068 583420004 /nfs/dbraw/zinc/42/00/04/583420004.db2.gz GZKIZGCNXZQPNE-NXEZZACHSA-N 1 0 181.304 1.305 10 30 ADEERO C#CCC[N@@H+]1CC[C@H]2CSC[C@@H]2C1 879562390 583420017 /nfs/dbraw/zinc/42/00/17/583420017.db2.gz FTPLHCCAMZDCLK-QWRGUYRKSA-N 1 0 195.331 1.695 10 30 ADEERO CC#CC[N@@H+]1CC[C@@H]2CSC[C@@H]2C1 879560371 583420045 /nfs/dbraw/zinc/42/00/45/583420045.db2.gz SNPQQPVDFKBWGA-MNOVXSKESA-N 1 0 195.331 1.695 10 30 ADEERO C=CCN1CC[C@H]2[C@H](CC[N@H+]2C)C1 879570042 583420054 /nfs/dbraw/zinc/42/00/54/583420054.db2.gz WLCSEEYCSRFMMY-MNOVXSKESA-N 1 0 180.295 1.198 10 30 ADEERO C#CCC[N@@H+]1CC[C@H]2CSC[C@H]2C1 879562391 583420440 /nfs/dbraw/zinc/42/04/40/583420440.db2.gz FTPLHCCAMZDCLK-WDEREUQCSA-N 1 0 195.331 1.695 10 30 ADEERO C=C(C)CN1CC[C@H]2[C@@H](CC[N@H+]2C)C1 879568117 583420101 /nfs/dbraw/zinc/42/01/01/583420101.db2.gz YXIPNAMVFRMGTJ-RYUDHWBXSA-N 1 0 194.322 1.589 10 30 ADEERO C=C(C)CN1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 879568116 583420122 /nfs/dbraw/zinc/42/01/22/583420122.db2.gz YXIPNAMVFRMGTJ-NWDGAFQWSA-N 1 0 194.322 1.589 10 30 ADEERO C=CCN1CC[C@@H]2[C@H](CC[N@H+]2C)C1 879570041 583420143 /nfs/dbraw/zinc/42/01/43/583420143.db2.gz WLCSEEYCSRFMMY-GHMZBOCLSA-N 1 0 180.295 1.198 10 30 ADEERO CC#CC[N@@H+]1CC[C@H]2CSC[C@@H]2C1 879560372 583420177 /nfs/dbraw/zinc/42/01/77/583420177.db2.gz SNPQQPVDFKBWGA-QWRGUYRKSA-N 1 0 195.331 1.695 10 30 ADEERO C=CCN1CC[C@H]2[C@@H](CC[N@H+]2C)C1 879570043 583420291 /nfs/dbraw/zinc/42/02/91/583420291.db2.gz WLCSEEYCSRFMMY-QWRGUYRKSA-N 1 0 180.295 1.198 10 30 ADEERO C#CCC[N@@H+]1CC[C@@H]2CSC[C@@H]2C1 879562389 583420383 /nfs/dbraw/zinc/42/03/83/583420383.db2.gz FTPLHCCAMZDCLK-MNOVXSKESA-N 1 0 195.331 1.695 10 30 ADEERO C=CC[N@@H+]1CC[C@@H]2CSC[C@H]2C1 879556083 583420411 /nfs/dbraw/zinc/42/04/11/583420411.db2.gz HGGUWOWBNRJKMW-NXEZZACHSA-N 1 0 183.320 1.857 10 30 ADEERO C=CC[N@@H+]1CC[C@@H]2CSC[C@@H]2C1 879556086 583420436 /nfs/dbraw/zinc/42/04/36/583420436.db2.gz HGGUWOWBNRJKMW-ZJUUUORDSA-N 1 0 183.320 1.857 10 30 ADEERO CC#CC[N@@H+]1CC[C@@H]2CSC[C@H]2C1 879560368 583420444 /nfs/dbraw/zinc/42/04/44/583420444.db2.gz SNPQQPVDFKBWGA-GHMZBOCLSA-N 1 0 195.331 1.695 10 30 ADEERO C=CCN1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 879570044 583420447 /nfs/dbraw/zinc/42/04/47/583420447.db2.gz WLCSEEYCSRFMMY-WDEREUQCSA-N 1 0 180.295 1.198 10 30 ADEERO CC#CC[N@@H+]1CC[C@H]2CSC[C@H]2C1 879560374 583420495 /nfs/dbraw/zinc/42/04/95/583420495.db2.gz SNPQQPVDFKBWGA-WDEREUQCSA-N 1 0 195.331 1.695 10 30 ADEERO C#CCC[N@@H+]1CC[C@@H]2CSC[C@H]2C1 879562388 583420725 /nfs/dbraw/zinc/42/07/25/583420725.db2.gz FTPLHCCAMZDCLK-GHMZBOCLSA-N 1 0 195.331 1.695 10 30 ADEERO C#CCCN1CC[C@@H]2[C@H](CC[N@H+]2C)C1 879578056 583421029 /nfs/dbraw/zinc/42/10/29/583421029.db2.gz PTSZUPKSTISYDD-VXGBXAGGSA-N 1 0 192.306 1.036 10 30 ADEERO C#CCC[N@H+]1C[C@@H](O)CC(C)(C)C1 879622927 583421054 /nfs/dbraw/zinc/42/10/54/583421054.db2.gz PQKOKSDROWKJCF-JTQLQIEISA-N 1 0 181.279 1.103 10 30 ADEERO C#CCC[NH2+]C(C)(C)C(O)(CC)CC 879697830 583421113 /nfs/dbraw/zinc/42/11/13/583421113.db2.gz KITKQWZGPMJBNO-UHFFFAOYSA-N 1 0 197.322 1.929 10 30 ADEERO CC#CCN1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 879573218 583421233 /nfs/dbraw/zinc/42/12/33/583421233.db2.gz MTBJEYKXEQXIEI-NWDGAFQWSA-N 1 0 192.306 1.036 10 30 ADEERO C#CCC[N@H+]1C[C@H](O)CC(C)(C)C1 879622928 583421289 /nfs/dbraw/zinc/42/12/89/583421289.db2.gz PQKOKSDROWKJCF-SNVBAGLBSA-N 1 0 181.279 1.103 10 30 ADEERO CC#CC[N@@H+]1C[C@H](O)CC(C)(C)C1 879619375 583421315 /nfs/dbraw/zinc/42/13/15/583421315.db2.gz RXUNNYDYUNETAV-SNVBAGLBSA-N 1 0 181.279 1.103 10 30 ADEERO CC#CCN1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 879573220 583421408 /nfs/dbraw/zinc/42/14/08/583421408.db2.gz MTBJEYKXEQXIEI-VXGBXAGGSA-N 1 0 192.306 1.036 10 30 ADEERO C#CCCN1CC[C@H]2[C@H](CC[N@H+]2C)C1 879578053 583421452 /nfs/dbraw/zinc/42/14/52/583421452.db2.gz PTSZUPKSTISYDD-NEPJUHHUSA-N 1 0 192.306 1.036 10 30 ADEERO C#CCCN1CC[C@H]2[C@@H](CC[N@H+]2C)C1 879578055 583421480 /nfs/dbraw/zinc/42/14/80/583421480.db2.gz PTSZUPKSTISYDD-RYUDHWBXSA-N 1 0 192.306 1.036 10 30 ADEERO CC#CCN1CC[C@H]2[C@H](CC[N@@H+]2C)C1 879573217 583421604 /nfs/dbraw/zinc/42/16/04/583421604.db2.gz MTBJEYKXEQXIEI-NEPJUHHUSA-N 1 0 192.306 1.036 10 30 ADEERO C#CCCN1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 879578054 583421629 /nfs/dbraw/zinc/42/16/29/583421629.db2.gz PTSZUPKSTISYDD-NWDGAFQWSA-N 1 0 192.306 1.036 10 30 ADEERO CC#CC[NH2+]C(C)(C)C(O)(CC)CC 879697902 583422018 /nfs/dbraw/zinc/42/20/18/583422018.db2.gz FXCGVQJWEUAWSU-UHFFFAOYSA-N 1 0 197.322 1.929 10 30 ADEERO C=CCC[N@H+]1C[C@H](O)CC(C)(C)C1 879618815 583422037 /nfs/dbraw/zinc/42/20/37/583422037.db2.gz 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1 0 191.278 1.605 10 30 ADEERO C#C[C@H](CC=C)[NH+](C)C 39073704 166036466 /nfs/dbraw/zinc/03/64/66/166036466.db2.gz LKSLKBCWFQQHQM-MRVPVSSYSA-N 1 0 123.199 1.126 10 30 ADEERO C#C[C@@H]1CCCC[C@H]1[NH3+] 39251594 166036551 /nfs/dbraw/zinc/03/65/51/166036551.db2.gz GCOGSTNVDOEXPM-HTQZYQBOSA-N 1 0 123.199 1.137 10 30 ADEERO C#C[C@@H]1CC[C@H]2CCC[N@H+]12 24260849 166036564 /nfs/dbraw/zinc/03/65/64/166036564.db2.gz YNDOCKQZMRIETO-RKDXNWHRSA-N 1 0 135.210 1.246 10 30 ADEERO C#C[C@@]1(C)CCC[C@H](C)[N@H+]1C 39048831 166036598 /nfs/dbraw/zinc/03/65/98/166036598.db2.gz AVKPJNQTPJLTES-UWVGGRQHSA-N 1 0 151.253 1.883 10 30 ADEERO C#C[C@@H]1Cc2ccsc2C(=N)N1 25979317 166036892 /nfs/dbraw/zinc/03/68/92/166036892.db2.gz ASLZDSGYTVWLOQ-SSDOTTSWSA-N 1 0 176.244 1.011 10 30 ADEERO C#C[C@H](C[NH3+])c1ccccc1 13884312 166037061 /nfs/dbraw/zinc/03/70/61/166037061.db2.gz UTPTXRJAFWMTMH-SECBINFHSA-N 1 0 145.205 1.362 10 30 ADEERO C#C[C@@]1(C)CCC[C@@H](C)[N@H+]1C 39048829 166037127 /nfs/dbraw/zinc/03/71/27/166037127.db2.gz AVKPJNQTPJLTES-ZJUUUORDSA-N 1 0 151.253 1.883 10 30 ADEERO C#C[C@@H]1CCCC[C@@H]1[NH3+] 39251592 166037287 /nfs/dbraw/zinc/03/72/87/166037287.db2.gz GCOGSTNVDOEXPM-SFYZADRCSA-N 1 0 123.199 1.137 10 30 ADEERO C#C[C@H](C)[NH+]1CCCC1 39073669 166037331 /nfs/dbraw/zinc/03/73/31/166037331.db2.gz BTRQXXHYPSNJAJ-QMMMGPOBSA-N 1 0 123.199 1.104 10 30 ADEERO C#C[C@@H]1CCC[C@@H](CC=C)[NH2+]1 21982078 166037373 /nfs/dbraw/zinc/03/73/73/166037373.db2.gz RIPNCADRKPFFME-NXEZZACHSA-N 1 0 149.237 1.706 10 30 ADEERO C#C[C@@]1(F)C[NH+]2CCC1CC2 34049630 166037441 /nfs/dbraw/zinc/03/74/41/166037441.db2.gz IXRHDIWQVSTHFW-SECBINFHSA-N 1 0 153.200 1.054 10 30 ADEERO C#C[C@H](C[NH3+])c1ccc(O)cc1 5112432 166037454 /nfs/dbraw/zinc/03/74/54/166037454.db2.gz RSTGIJNRFQUESV-MRVPVSSYSA-N 1 0 161.204 1.068 10 30 ADEERO C#C[C@H](C[NH3+])c1cccc(O)c1 13884311 166037537 /nfs/dbraw/zinc/03/75/37/166037537.db2.gz DDIRPTZZQVMPTP-MRVPVSSYSA-N 1 0 161.204 1.068 10 30 ADEERO 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0 137.226 1.494 10 30 ADEERO C#C[C@@H]1CC[C@@H]2CCC[N@H+]12 24260841 166038210 /nfs/dbraw/zinc/03/82/10/166038210.db2.gz YNDOCKQZMRIETO-BDAKNGLRSA-N 1 0 135.210 1.246 10 30 ADEERO C#C[C@]1(C)CCC(C)(C)[N@H+]1C 39048833 166038349 /nfs/dbraw/zinc/03/83/49/166038349.db2.gz WHJRDSCGZYVZME-SNVBAGLBSA-N 1 0 151.253 1.883 10 30 ADEERO C#C[C@H]([NH2+]C)[C@@H](C)C1CC1 21374374 166038376 /nfs/dbraw/zinc/03/83/76/166038376.db2.gz RCSFYWMQOLMOCU-CBAPKCEASA-N 1 0 137.226 1.254 10 30 ADEERO C#C[C@H]1CC[C@@H]2CCC[N@@H+]21 24260844 166038418 /nfs/dbraw/zinc/03/84/18/166038418.db2.gz YNDOCKQZMRIETO-IUCAKERBSA-N 1 0 135.210 1.246 10 30 ADEERO C#C[C@H]1CCC[C@@H](CC=C)[NH2+]1 21982082 166038501 /nfs/dbraw/zinc/03/85/01/166038501.db2.gz RIPNCADRKPFFME-VHSXEESVSA-N 1 0 149.237 1.706 10 30 ADEERO C#C[C@H]([NH2+]C)[C@H](C)C1CC1 21374381 166038818 /nfs/dbraw/zinc/03/88/18/166038818.db2.gz RCSFYWMQOLMOCU-APPZFPTMSA-N 1 0 137.226 1.254 10 30 ADEERO C#C[C@H]1CC2CC[NH+]1CC2 39049249 166039075 /nfs/dbraw/zinc/03/90/75/166039075.db2.gz GUSRYUMCWSHGIP-VIFPVBQESA-N 1 0 135.210 1.104 10 30 ADEERO C#C[C@H]1C[N@@H+](C)CC[C@@H]1C 39049401 166039274 /nfs/dbraw/zinc/03/92/74/166039274.db2.gz WRVKYVLGOVQVJJ-IUCAKERBSA-N 1 0 137.226 1.207 10 30 ADEERO C#C[C@H]1Cc2cc(C)sc2C(=[NH2+])N1 25983159 166039301 /nfs/dbraw/zinc/03/93/01/166039301.db2.gz YZFZKTWAMLXSPG-QMMMGPOBSA-N 1 0 190.271 1.320 10 30 ADEERO C#C[C@H]1CC[C@H]2CCC[N@H+]12 24260852 166039332 /nfs/dbraw/zinc/03/93/32/166039332.db2.gz YNDOCKQZMRIETO-DTWKUNHWSA-N 1 0 135.210 1.246 10 30 ADEERO C#C[C@]1(F)C[NH+]2CCC1CC2 34049629 166039508 /nfs/dbraw/zinc/03/95/08/166039508.db2.gz IXRHDIWQVSTHFW-VIFPVBQESA-N 1 0 153.200 1.054 10 30 ADEERO C#C[C@H]1Cc2sccc2C(=[NH2+])N1 25982996 166039556 /nfs/dbraw/zinc/03/95/56/166039556.db2.gz NNUPDBFRVPMTCH-LURJTMIESA-N 1 0 176.244 1.011 10 30 ADEERO C#C[C@]1(C)CCC[C@@H](C)[N@H+]1C 39048826 166039653 /nfs/dbraw/zinc/03/96/53/166039653.db2.gz AVKPJNQTPJLTES-NXEZZACHSA-N 1 0 151.253 1.883 10 30 ADEERO C#C[C@](C)([NH3+])CC(C)C 5760090 166039771 /nfs/dbraw/zinc/03/97/71/166039771.db2.gz XBHKMNOQOHZJIV-QMMMGPOBSA-N 1 0 125.215 1.383 10 30 ADEERO C#C[C@]1(C)CCC[C@H](C)[N@H+]1C 39048828 166039843 /nfs/dbraw/zinc/03/98/43/166039843.db2.gz AVKPJNQTPJLTES-VHSXEESVSA-N 1 0 151.253 1.883 10 30 ADEERO C#C[C@H]1CCC[C@H](CC=C)[NH2+]1 21982083 166039866 /nfs/dbraw/zinc/03/98/66/166039866.db2.gz RIPNCADRKPFFME-UWVGGRQHSA-N 1 0 149.237 1.706 10 30 ADEERO C#C[C@H]1C[N@@H+](C)CC[C@H]1C 39049400 166039877 /nfs/dbraw/zinc/03/98/77/166039877.db2.gz WRVKYVLGOVQVJJ-BDAKNGLRSA-N 1 0 137.226 1.207 10 30 ADEERO C#C[C@H]1CCCC[C@@H]1[NH3+] 39251593 166040077 /nfs/dbraw/zinc/04/00/77/166040077.db2.gz GCOGSTNVDOEXPM-YUMQZZPRSA-N 1 0 123.199 1.137 10 30 ADEERO C#Cc1ccc(C[C@@H](C)[NH3+])cc1 44461766 166040574 /nfs/dbraw/zinc/04/05/74/166040574.db2.gz TTYKTBACEAJXJQ-SECBINFHSA-N 1 0 159.232 1.558 10 30 ADEERO C#C[C@]12CCCC[N@H+]1CCC2 5004237 166040851 /nfs/dbraw/zinc/04/08/51/166040851.db2.gz RERWQDMRYSNWEL-SNVBAGLBSA-N 1 0 149.237 1.638 10 30 ADEERO C#C[C@]1(O)CC[N@@H+](C)[C@@H]2CCCC[C@H]21 255969885 166041055 /nfs/dbraw/zinc/04/10/55/166041055.db2.gz DPXYTZVIPKWTFT-UTUOFQBUSA-N 1 0 193.290 1.245 10 30 ADEERO C#C[C@]1(O)CC[N@@H+](C)[C@@H]2CCCC[C@@H]21 255969884 166041424 /nfs/dbraw/zinc/04/14/24/166041424.db2.gz DPXYTZVIPKWTFT-TUAOUCFPSA-N 1 0 193.290 1.245 10 30 ADEERO C#Cc1ccc(C[C@H](C)[NH3+])cc1 44461765 166041830 /nfs/dbraw/zinc/04/18/30/166041830.db2.gz TTYKTBACEAJXJQ-VIFPVBQESA-N 1 0 159.232 1.558 10 30 ADEERO C(#Cc1ccccn1)C1=CC[NH2+]CC1 28526137 166044109 /nfs/dbraw/zinc/04/41/09/166044109.db2.gz UZNRTXNWHDCSNN-UHFFFAOYSA-N 1 0 184.242 1.353 10 30 ADEERO C#Cc1cncc([C@H]2CCC[N@H+]2C)c1 4632540 166044146 /nfs/dbraw/zinc/04/41/46/166044146.db2.gz NUPUDYKEEJNZRG-GFCCVEGCSA-N 1 0 186.258 1.830 10 30 in-vitro ADEERO C(#Cc1ccno1)C[C@H]1CCC[NH2+]1 38523254 166044255 /nfs/dbraw/zinc/04/42/55/166044255.db2.gz GGMRHLNABFMDIP-VIFPVBQESA-N 1 0 176.219 1.168 10 30 ADEERO C(#C[C@@H]1CCCC[NH2+]1)c1ccno1 34060807 166044901 /nfs/dbraw/zinc/04/49/01/166044901.db2.gz TWVTZPUSEBIBAM-VIFPVBQESA-N 1 0 176.219 1.168 10 30 ADEERO C(#Cc1ccno1)C[C@@H]1CCC[NH2+]1 38523253 166045062 /nfs/dbraw/zinc/04/50/62/166045062.db2.gz GGMRHLNABFMDIP-SECBINFHSA-N 1 0 176.219 1.168 10 30 ADEERO C(#C[C@H]1CCCC[NH2+]1)c1ccno1 34060808 166045094 /nfs/dbraw/zinc/04/50/94/166045094.db2.gz TWVTZPUSEBIBAM-SECBINFHSA-N 1 0 176.219 1.168 10 30 ADEERO C(#C[C@H]1CCC[NH2+]1)c1cccnc1 71359442 166045282 /nfs/dbraw/zinc/04/52/82/166045282.db2.gz YOOCTKCKTOXZCT-LLVKDONJSA-N 1 0 172.231 1.185 10 30 ADEERO C(=[NH+]/n1cnnc1)\C1CCCCC1 13152707 166046057 /nfs/dbraw/zinc/04/60/57/166046057.db2.gz WGDYMCOUCSRPEO-WUXMJOGZSA-N 1 0 178.239 1.692 10 30 ADEERO CC(=NNC(N)=[NH2+])c1ccccc1C 34175940 166050865 /nfs/dbraw/zinc/05/08/65/166050865.db2.gz CHBXGNUGRWBLQP-JYRVWZFOSA-N 1 0 190.250 1.202 10 30 ADEERO CC(=NNC(N)=[NH2+])c1ccc(F)cc1 17325055 166051330 /nfs/dbraw/zinc/05/13/30/166051330.db2.gz GGDSOBGHZGCGGX-MLPAPPSSSA-N 1 0 194.213 1.033 10 30 ADEERO CC(=NNC(N)=[NH2+])c1ccc(C)cc1 33387986 166051338 /nfs/dbraw/zinc/05/13/38/166051338.db2.gz TZDPDLSSNJSETN-JYRVWZFOSA-N 1 0 190.250 1.202 10 30 ADEERO C/C(=N\O)C1=CC[N@H+](C)CC1 39080536 166054167 /nfs/dbraw/zinc/05/41/67/166054167.db2.gz SMYAOHBVTQZBNC-VQHVLOKHSA-N 1 0 154.213 1.098 10 30 ADEERO C/C(=[NH+]/c1ncc[nH]1)N(C)C 39080344 166054455 /nfs/dbraw/zinc/05/44/55/166054455.db2.gz IRQDKESGNACMQU-POHAHGRESA-N 1 0 152.201 1.021 10 30 ADEERO C/C(CCC[NH+](C)C)=N/O 39079356 166055986 /nfs/dbraw/zinc/05/59/86/166055986.db2.gz CLWGEJURZNLPMH-FPLPWBNLSA-N 1 0 144.218 1.178 10 30 ADEERO C/C(C#CC[NH+]1CCCCC1)=C/CO 36372758 166057143 /nfs/dbraw/zinc/05/71/43/166057143.db2.gz DODNYWPKRTZNKM-GHXNOFRVSA-N 1 0 193.290 1.414 10 30 ADEERO CC(=[NH2+])Nc1ccc(N(C)C)cc1 26725896 166057727 /nfs/dbraw/zinc/05/77/27/166057727.db2.gz KVSKOVIDDLAITJ-UHFFFAOYSA-N 1 0 177.251 1.761 10 30 ADEERO CC(=[NH2+])Nc1ccc(C#N)cc1 26724484 166057742 /nfs/dbraw/zinc/05/77/42/166057742.db2.gz KGFNIAGZEZNIKD-UHFFFAOYSA-N 1 0 159.192 1.567 10 30 ADEERO CC(=[NH2+])Nc1ccnc2onc(C)c12 90756120 166057814 /nfs/dbraw/zinc/05/78/14/166057814.db2.gz PSEROPRIMUXUGT-UHFFFAOYSA-N 1 0 190.206 1.540 10 30 ADEERO C=C[C@H]([NH3+])c1ncc(C)cc1C 132722254 343903003 /nfs/dbraw/zinc/90/30/03/343903003.db2.gz HYPGDGAJCPOLKR-VIFPVBQESA-N 1 0 162.236 1.884 10 30 ADEERO C/C=C1\CC[C@H](C[NH+](C)C)C1=O 39082359 166067210 /nfs/dbraw/zinc/06/72/10/166067210.db2.gz IZBSUBSAQZPRCY-VGANXODHSA-N 1 0 167.252 1.473 10 30 ADEERO C/C=C1\CC[C@@H](C[NH+](C)C)C1=O 39082361 166067277 /nfs/dbraw/zinc/06/72/77/166067277.db2.gz IZBSUBSAQZPRCY-SGDMMICCSA-N 1 0 167.252 1.473 10 30 ADEERO CNC(=[NH2+])NCc1ccc(C)cc1 50165480 166068983 /nfs/dbraw/zinc/06/89/83/166068983.db2.gz LTWNKDAEBIVDSP-UHFFFAOYSA-N 1 0 177.251 1.029 10 30 ADEERO C/N=C(\C)[C@H]([NH3+])c1ccccc1 138036040 166069005 /nfs/dbraw/zinc/06/90/05/166069005.db2.gz IJPGWLGMEGJMCI-MJWAUXSNSA-N 1 0 162.236 1.777 10 30 ADEERO 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181.279 1.816 10 30 in-vitro ADEERO C=C1CC=CC=[NH+]1 39050363 166145262 /nfs/dbraw/zinc/14/52/62/166145262.db2.gz ITJAYYHMGHWZRX-UHFFFAOYSA-N 1 0 93.129 1.531 10 30 ADEERO C=C1C[NH+](C)CC1=C 238327575 166145587 /nfs/dbraw/zinc/14/55/87/166145587.db2.gz QRYVVLZUHLHZIP-UHFFFAOYSA-N 1 0 109.172 1.044 10 30 ADEERO C=C1CCC[NH2+][C@H]1C(C)C 34596236 166145610 /nfs/dbraw/zinc/14/56/10/166145610.db2.gz ZCLIRERPRDFZDL-VIFPVBQESA-N 1 0 139.242 1.951 10 30 ADEERO C=C1CC[C@H](C)[N@@H+](C)C1 34411874 166145727 /nfs/dbraw/zinc/14/57/27/166145727.db2.gz MRYLHLGOPYYFSH-QMMMGPOBSA-N 1 0 125.215 1.657 10 30 ADEERO C=C1CC[N@H+](C)[C@@H](C)C1 34411876 166145769 /nfs/dbraw/zinc/14/57/69/166145769.db2.gz VBGLNUVRKRHTQW-QMMMGPOBSA-N 1 0 125.215 1.657 10 30 ADEERO C=C1CC[NH+](CC2(O)CCC2)CC1 335630687 166145788 /nfs/dbraw/zinc/14/57/88/166145788.db2.gz PAPNIHUYIGXTRI-UHFFFAOYSA-N 1 0 181.279 1.553 10 30 ADEERO C=C1CCC[N@@H+](CC)C1 39073867 166145856 /nfs/dbraw/zinc/14/58/56/166145856.db2.gz 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/nfs/dbraw/zinc/14/69/56/166146956.db2.gz GIXAJKFTTWCTPY-QMMMGPOBSA-N 1 0 125.215 1.514 10 30 ADEERO C=C1CCC[N@@H+]2CCC[C@H]12 39078292 166146973 /nfs/dbraw/zinc/14/69/73/166146973.db2.gz ZJFAQSASGFTQBC-SECBINFHSA-N 1 0 137.226 1.801 10 30 ADEERO C=C1CCCC[C@H]1[NH3+] 34300677 166147042 /nfs/dbraw/zinc/14/70/42/166147042.db2.gz KYBCVBXFCVAUBV-SSDOTTSWSA-N 1 0 111.188 1.444 10 30 ADEERO C=C1CN2CC[NH+]=C2C1(C)C 39095062 166147092 /nfs/dbraw/zinc/14/70/92/166147092.db2.gz HSDVUTQTCXBHPV-UHFFFAOYSA-N 1 0 150.225 1.297 10 30 ADEERO C=C1CC[NH+](C[C@@](C)(O)CC)CC1 306508269 166147317 /nfs/dbraw/zinc/14/73/17/166147317.db2.gz AHYUQBOHYQZTND-NSHDSACASA-N 1 0 183.295 1.799 10 30 ADEERO C=C1CCC[N@@H+]2CCC[C@@H]12 39078293 166147333 /nfs/dbraw/zinc/14/73/33/166147333.db2.gz ZJFAQSASGFTQBC-VIFPVBQESA-N 1 0 137.226 1.801 10 30 ADEERO C=C1CC[C@@H](C)[N@@H+](C)C1 34411873 166147399 /nfs/dbraw/zinc/14/73/99/166147399.db2.gz MRYLHLGOPYYFSH-MRVPVSSYSA-N 1 0 125.215 1.657 10 30 ADEERO C=C1CC[N@H+](C)[C@H](C)C1 34411875 166147621 /nfs/dbraw/zinc/14/76/21/166147621.db2.gz VBGLNUVRKRHTQW-MRVPVSSYSA-N 1 0 125.215 1.657 10 30 ADEERO C=C1CCCC[C@@H]1[NH3+] 34300676 166147683 /nfs/dbraw/zinc/14/76/83/166147683.db2.gz KYBCVBXFCVAUBV-ZETCQYMHSA-N 1 0 111.188 1.444 10 30 ADEERO C=C1CCC[NH2+][C@@H]1C(C)C 34596235 166147735 /nfs/dbraw/zinc/14/77/35/166147735.db2.gz ZCLIRERPRDFZDL-SECBINFHSA-N 1 0 139.242 1.951 10 30 ADEERO C=C1CCCC[NH2+]1 100307677 166147742 /nfs/dbraw/zinc/14/77/42/166147742.db2.gz CLASDMKBOIFHNY-UHFFFAOYSA-N 1 0 97.161 1.274 10 30 in-vitro ADEERO C=C1CC[N@@H+](C)C[C@@H]1C 72231453 166147773 /nfs/dbraw/zinc/14/77/73/166147773.db2.gz KPZYUYBOQZLCJZ-QMMMGPOBSA-N 1 0 125.215 1.514 10 30 ADEERO C=C1C[NH2+]C[C@@H]1/C=C/C 169596650 166148472 /nfs/dbraw/zinc/14/84/72/166148472.db2.gz MSRRSWQAEFVZST-RTMURIBGSA-N 1 0 123.199 1.338 10 30 ADEERO C=C1C[C@@H]2CC[C@H](C1)[N@@H+]2C 5967167 166148478 /nfs/dbraw/zinc/14/84/78/166148478.db2.gz VTTHRNBDRMKNKB-DTORHVGOSA-N 1 0 137.226 1.799 10 30 ADEERO C=C1C[C@@H](C(=O)OCC)CC[N@@H+]1C 100429079 166148499 /nfs/dbraw/zinc/14/84/99/166148499.db2.gz BRPFAFBFEONOKQ-VIFPVBQESA-N 1 0 183.251 1.405 10 30 ADEERO C=C1C[C@H]2CCC[N@@H+]2C1 36419821 166148621 /nfs/dbraw/zinc/14/86/21/166148621.db2.gz QOHFDMLBZHYOKJ-MRVPVSSYSA-N 1 0 123.199 1.411 10 30 ADEERO C=C1C[C@H](C(=O)OCC)CC[N@@H+]1C 100429078 166148811 /nfs/dbraw/zinc/14/88/11/166148811.db2.gz BRPFAFBFEONOKQ-SECBINFHSA-N 1 0 183.251 1.405 10 30 ADEERO C=C1C[C@@H]2CCC[N@@H+]2C1 36419820 166148875 /nfs/dbraw/zinc/14/88/75/166148875.db2.gz QOHFDMLBZHYOKJ-QMMMGPOBSA-N 1 0 123.199 1.411 10 30 ADEERO C=C1C[NH2+]C[C@H]1/C=C/C 39094611 166148940 /nfs/dbraw/zinc/14/89/40/166148940.db2.gz MSRRSWQAEFVZST-MPJRPATESA-N 1 0 123.199 1.338 10 30 ADEERO C=C1[C@@H]2CC[C@@H]([C@@H]2[NH3+])C1(C)C 39090868 166150761 /nfs/dbraw/zinc/15/07/61/166150761.db2.gz AZJMAXKADBJHAK-XHNCKOQMSA-N 1 0 151.253 1.936 10 30 ADEERO C=C1[C@@H]([NH3+])C[C@@H]2C[C@H]1C2(C)C 9222081 166151280 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/nfs/dbraw/zinc/39/48/87/166394887.db2.gz JGMUNJXJJCOLBJ-UHFFFAOYSA-N 1 0 190.246 1.674 10 30 ADEERO CC(C)(C[NH3+])Nc1ccccc1C#N 63020801 166395419 /nfs/dbraw/zinc/39/54/19/166395419.db2.gz APPLHEXKRDBREF-UHFFFAOYSA-N 1 0 189.262 1.707 10 30 ADEERO CC(C)(CO)[NH2+][C@H]1CCC[C@H]1C#N 54825056 166395957 /nfs/dbraw/zinc/39/59/57/166395957.db2.gz YEOSYORDSORYMD-IUCAKERBSA-N 1 0 182.267 1.039 10 30 ADEERO CC(C)(CO)[NH2+][C@H]1CCCC[C@@H]1C#N 54825058 166395999 /nfs/dbraw/zinc/39/59/99/166395999.db2.gz KEOIGTYYJXJGJT-ZJUUUORDSA-N 1 0 196.294 1.429 10 30 ADEERO CC(C)(CO)[NH2+]CCCCC#N 49578402 166396197 /nfs/dbraw/zinc/39/61/97/166396197.db2.gz ZIYRCUMNQVIVGJ-UHFFFAOYSA-N 1 0 170.256 1.041 10 30 ADEERO CC(C)(CO)[NH2+][C@@H]1CCCC[C@H]1C#N 54825059 166396636 /nfs/dbraw/zinc/39/66/36/166396636.db2.gz KEOIGTYYJXJGJT-VHSXEESVSA-N 1 0 196.294 1.429 10 30 ADEERO CC(C)(CO)[NH2+][C@H]1CCC[C@@H]1C#N 54825054 166396777 /nfs/dbraw/zinc/39/67/77/166396777.db2.gz YEOSYORDSORYMD-BDAKNGLRSA-N 1 0 182.267 1.039 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CC(C)CN(CC#N)CC[NH+](C)C 42764686 166458865 /nfs/dbraw/zinc/45/88/65/166458865.db2.gz FETQQHIDSFYYDP-UHFFFAOYSA-N 1 0 183.299 1.030 10 30 ADEERO CC(C)C[N@H+](C)C[C@]1(C=O)CCOC1 51176555 166459820 /nfs/dbraw/zinc/45/98/20/166459820.db2.gz STTSDLBRFIKPQH-NSHDSACASA-N 1 0 199.294 1.180 10 30 ADEERO CC(C)CNC(=[NH2+])N(C)C[C@H](C)C#N 52039603 166465236 /nfs/dbraw/zinc/46/52/36/166465236.db2.gz WHTJQNPZJVAAGZ-SECBINFHSA-N 1 0 196.298 1.258 10 30 ADEERO CC(C)CNC(=[NH2+])N(C)C[C@@H](C)C#N 52039601 166466319 /nfs/dbraw/zinc/46/63/19/166466319.db2.gz WHTJQNPZJVAAGZ-VIFPVBQESA-N 1 0 196.298 1.258 10 30 ADEERO CC(C)C[C@@H](C[NH+](C)C)NCC#N 49555968 166484271 /nfs/dbraw/zinc/48/42/71/166484271.db2.gz PTNVVKSXSWQKDN-JTQLQIEISA-N 1 0 183.299 1.076 10 30 ADEERO CC(C)C[C@@H](CO)[NH2+]CCCCC#N 49578501 166484361 /nfs/dbraw/zinc/48/43/61/166484361.db2.gz ZRELKXZMVRXKFB-NSHDSACASA-N 1 0 198.310 1.677 10 30 ADEERO CC(C)C[C@H](C#N)N1CCC[NH2+]CC1 37940515 166492238 /nfs/dbraw/zinc/49/22/38/166492238.db2.gz 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/nfs/dbraw/zinc/32/21/51/168322151.db2.gz VCAMROWCFDJPRK-QWRGUYRKSA-N 1 0 195.310 1.220 10 30 ADEERO C[C@@H](C#N)C[NH2+][C@H]1CCCC[C@@H]1O 52013607 168322163 /nfs/dbraw/zinc/32/21/63/168322163.db2.gz BGUDXXJTURUVIB-GUBZILKMSA-N 1 0 182.267 1.039 10 30 ADEERO C[C@@H](C#N)C[NH2+][C@H](C)C1(C)CC1 54180550 168322169 /nfs/dbraw/zinc/32/21/69/168322169.db2.gz DNMNUYGTMXJFNU-DTWKUNHWSA-N 1 0 166.268 1.924 10 30 ADEERO C[C@@H](C#N)C[NH2+][C@H](C)C1CC1 35733587 168322172 /nfs/dbraw/zinc/32/21/72/168322172.db2.gz HOMIPWIBBZXSNJ-JGVFFNPUSA-N 1 0 152.241 1.534 10 30 ADEERO C[C@@H](C#N)C[NH2+][C@@H]1CC1(C)C 45119426 168322236 /nfs/dbraw/zinc/32/22/36/168322236.db2.gz NRWJBNNPOBSYAB-JGVFFNPUSA-N 1 0 152.241 1.534 10 30 ADEERO C[C@@H](C#N)C[NH2+][C@@H]1CCCC[C@@H]1O 52013604 168322268 /nfs/dbraw/zinc/32/22/68/168322268.db2.gz BGUDXXJTURUVIB-AEJSXWLSSA-N 1 0 182.267 1.039 10 30 ADEERO C[C@@H](C#N)CN[C@H](C)CC[NH+](C)C 49557356 168322440 /nfs/dbraw/zinc/32/24/40/168322440.db2.gz RDEYVEOBWNBKMM-VHSXEESVSA-N 1 0 183.299 1.076 10 30 ADEERO C[C@@H](C#N)C[NH2+][C@@H]1CCCSC1 61589641 168322558 /nfs/dbraw/zinc/32/25/58/168322558.db2.gz WSXXITIHGVDLDZ-DTWKUNHWSA-N 1 0 184.308 1.631 10 30 ADEERO C[C@@H](C#N)C[NH2+]CCc1ccccn1 36667832 168322698 /nfs/dbraw/zinc/32/26/98/168322698.db2.gz VJVBNGFJWVMQBI-JTQLQIEISA-N 1 0 189.262 1.373 10 30 ADEERO C[C@@H](C#N)C[NH2+][C@H]1CC1(C)C 45119430 168322724 /nfs/dbraw/zinc/32/27/24/168322724.db2.gz NRWJBNNPOBSYAB-YUMQZZPRSA-N 1 0 152.241 1.534 10 30 ADEERO C[C@@H](C#N)CNC[C@H]1CCC[N@H+](C)C1 44536537 168322758 /nfs/dbraw/zinc/32/27/58/168322758.db2.gz ZSCXPIMXZAKWET-WDEREUQCSA-N 1 0 195.310 1.077 10 30 ADEERO C[C@@H](C#N)C[NH2+]C[C@H]1CCCCO1 42819891 168322820 /nfs/dbraw/zinc/32/28/20/168322820.db2.gz HWQRURBYXAVDKY-VHSXEESVSA-N 1 0 182.267 1.305 10 30 ADEERO C[C@@H](C#N)OC[C@H]1CCCC[NH2+]1 51816072 168323364 /nfs/dbraw/zinc/32/33/64/168323364.db2.gz MWKANKLYAFOUKX-DTWKUNHWSA-N 1 0 168.240 1.057 10 30 ADEERO C[C@@H](C#N)Oc1cccc([C@@H](C)[NH3+])c1 43513329 168323399 /nfs/dbraw/zinc/32/33/99/168323399.db2.gz NVNQCZRZCOHGGC-DTWKUNHWSA-N 1 0 190.246 1.997 10 30 ADEERO C[C@@H](C#N)NCC(C)(C)C[NH+](C)C 43514129 168323424 /nfs/dbraw/zinc/32/34/24/168323424.db2.gz SHLQYGCKFLTIBZ-VIFPVBQESA-N 1 0 183.299 1.076 10 30 ADEERO C[C@@H](C#N)OCC[C@@H]1CCCC[NH2+]1 51862359 168323567 /nfs/dbraw/zinc/32/35/67/168323567.db2.gz UHFDQIVBGBEAJC-UWVGGRQHSA-N 1 0 182.267 1.447 10 30 ADEERO C[C@@H](C#N)Oc1cccc(C[NH3+])c1 43513351 168323587 /nfs/dbraw/zinc/32/35/87/168323587.db2.gz LRINGLDSFKWVGY-QMMMGPOBSA-N 1 0 176.219 1.436 10 30 ADEERO C[C@@H](C#N)Oc1cccc([C@H](C)[NH3+])c1 43513331 168323824 /nfs/dbraw/zinc/32/38/24/168323824.db2.gz NVNQCZRZCOHGGC-IUCAKERBSA-N 1 0 190.246 1.997 10 30 ADEERO C[C@@H](C#N)N[C@H](C)C[NH+]1CCCCC1 43515474 168323893 /nfs/dbraw/zinc/32/38/93/168323893.db2.gz LMNCCWPKBGBDDX-WDEREUQCSA-N 1 0 195.310 1.362 10 30 ADEERO C[C@@H](C#N)Oc1cccc(CC[NH3+])c1 43518430 168323945 /nfs/dbraw/zinc/32/39/45/168323945.db2.gz PPPSRQFESOJLOK-VIFPVBQESA-N 1 0 190.246 1.479 10 30 ADEERO C[C@@H](C#N)Oc1ccc(CC[NH3+])cc1 43518400 168323956 /nfs/dbraw/zinc/32/39/56/168323956.db2.gz UFGBQDHHDBSQGA-VIFPVBQESA-N 1 0 190.246 1.479 10 30 ADEERO C[C@@H](C#N)Oc1ccccc1CC[NH3+] 43518405 168324073 /nfs/dbraw/zinc/32/40/73/168324073.db2.gz HKQPDINSYFDKEN-VIFPVBQESA-N 1 0 190.246 1.479 10 30 ADEERO C[C@@H](C#N)OC[C@@H]1CCCC[NH2+]1 51816070 168324098 /nfs/dbraw/zinc/32/40/98/168324098.db2.gz MWKANKLYAFOUKX-IUCAKERBSA-N 1 0 168.240 1.057 10 30 ADEERO C[C@@H](C#N)Oc1ccc([C@H](C)[NH3+])cc1 43513309 168324155 /nfs/dbraw/zinc/32/41/55/168324155.db2.gz XNFQDAQIQJFQEY-IUCAKERBSA-N 1 0 190.246 1.997 10 30 ADEERO C[C@@H](C#N)Oc1ccc(C[NH3+])cc1 43513345 168324190 /nfs/dbraw/zinc/32/41/90/168324190.db2.gz NKQKVRUPUDBLJD-QMMMGPOBSA-N 1 0 176.219 1.436 10 30 ADEERO C[C@@H](C#N)Oc1ccccc1C[NH3+] 43513347 168324224 /nfs/dbraw/zinc/32/42/24/168324224.db2.gz SMXAZFNEJFPRLK-QMMMGPOBSA-N 1 0 176.219 1.436 10 30 ADEERO C[C@@H](C#N)Oc1ccccc1[C@H](C)[NH3+] 43513315 168324314 /nfs/dbraw/zinc/32/43/14/168324314.db2.gz HUTPNPOQWIUJHN-IUCAKERBSA-N 1 0 190.246 1.997 10 30 ADEERO C[C@@H](C#N)OCC[C@@H]1CCC[NH2+]C1 51918085 168324352 /nfs/dbraw/zinc/32/43/52/168324352.db2.gz RVEVXACRYXDPFP-UWVGGRQHSA-N 1 0 182.267 1.305 10 30 ADEERO C[C@@H](C#N)OCC[C@H]1CCCC[NH2+]1 51862365 168324405 /nfs/dbraw/zinc/32/44/05/168324405.db2.gz UHFDQIVBGBEAJC-VHSXEESVSA-N 1 0 182.267 1.447 10 30 ADEERO C[C@@H](C#N)c1cccc(C[NH3+])c1 83339715 168324439 /nfs/dbraw/zinc/32/44/39/168324439.db2.gz QAQVZNBIIKNLCO-QMMMGPOBSA-N 1 0 160.220 1.772 10 30 ADEERO C[C@@H](C#N)Oc1ccccc1[C@@H](C)[NH3+] 43513313 168324444 /nfs/dbraw/zinc/32/44/44/168324444.db2.gz HUTPNPOQWIUJHN-DTWKUNHWSA-N 1 0 190.246 1.997 10 30 ADEERO C[C@@H](C#N)OCC[C@H]1CCC[NH2+]C1 51918088 168324454 /nfs/dbraw/zinc/32/44/54/168324454.db2.gz RVEVXACRYXDPFP-VHSXEESVSA-N 1 0 182.267 1.305 10 30 ADEERO C[C@@H](C#N)OC1CCC([NH3+])CC1 55143238 168324563 /nfs/dbraw/zinc/32/45/63/168324563.db2.gz PPCALLFKIROQBH-UEJVZZJDSA-N 1 0 168.240 1.185 10 30 ADEERO C[C@@H](C#N)Oc1ccc([C@@H](C)[NH3+])cc1 43513307 168324567 /nfs/dbraw/zinc/32/45/67/168324567.db2.gz XNFQDAQIQJFQEY-DTWKUNHWSA-N 1 0 190.246 1.997 10 30 ADEERO C[C@@H](C#N)N[C@@H](C)C[NH+]1CCCCC1 43515473 168324577 /nfs/dbraw/zinc/32/45/77/168324577.db2.gz LMNCCWPKBGBDDX-QWRGUYRKSA-N 1 0 195.310 1.362 10 30 ADEERO C=CCC[NH2+]Cc1ccc(C#N)o1 135561407 343965485 /nfs/dbraw/zinc/96/54/85/343965485.db2.gz FJGIYMRJNBURGB-UHFFFAOYSA-N 1 0 176.219 1.817 10 30 ADEERO C[C@@H](C/C(N)=N/O)[NH+]1CCCCCC1 48257632 168329729 /nfs/dbraw/zinc/32/97/29/168329729.db2.gz MGFPOVOVYQKZFF-VIFPVBQESA-N 1 0 199.298 1.387 10 30 ADEERO C[C@@H](C/C(N)=N/O)[N@@H+]1CCC[C@@H](C)C1 48257622 168330296 /nfs/dbraw/zinc/33/02/96/168330296.db2.gz CRXXJDDDFUOLGM-BDAKNGLRSA-N 1 0 199.298 1.243 10 30 ADEERO C[C@@H](CC#N)N(C)CCC[NH+](C)C 49805874 168330931 /nfs/dbraw/zinc/33/09/31/168330931.db2.gz KNUZZMHVAXAMER-JTQLQIEISA-N 1 0 183.299 1.172 10 30 ADEERO C[C@@H](CC#N)[N@H+](C)C1CCOCC1 48246898 168331080 /nfs/dbraw/zinc/33/10/80/168331080.db2.gz RPOQEMOJIBGPAD-VIFPVBQESA-N 1 0 182.267 1.399 10 30 ADEERO C[C@@H](C1CC1)[N@H+](C)CC(C)(C)C=O 51177038 168331197 /nfs/dbraw/zinc/33/11/97/168331197.db2.gz ZLYQUQSFQKEGHP-VIFPVBQESA-N 1 0 183.295 1.942 10 30 ADEERO C[C@@H](CC#N)[N@H+](C)CCCCC#N 63086270 168331237 /nfs/dbraw/zinc/33/12/37/168331237.db2.gz COFCKPCTDYEEKL-JTQLQIEISA-N 1 0 179.267 1.914 10 30 ADEERO C[C@@H](C1CC1)[N@H+](C)C[C@@H]1CO1 36785266 168331639 /nfs/dbraw/zinc/33/16/39/168331639.db2.gz XLIWTRVEIVHFJW-IONNQARKSA-N 1 0 155.241 1.116 10 30 ADEERO C[C@@H](CC#N)N(C)C1CC[NH+](C)CC1 48246554 168331896 /nfs/dbraw/zinc/33/18/96/168331896.db2.gz DHHPXZNVDATQRZ-JTQLQIEISA-N 1 0 195.310 1.315 10 30 ADEERO C[C@@H](C1CC1)[N@@H+](C)C[C@@H](C)C#N 35207522 168332387 /nfs/dbraw/zinc/33/23/87/168332387.db2.gz FOPLFXLYMPWUNB-IUCAKERBSA-N 1 0 166.268 1.876 10 30 ADEERO C[C@@H](CC#N)[N@H+](C)[C@@H]1CCSC1 48246753 168332625 /nfs/dbraw/zinc/33/26/25/168332625.db2.gz IHUJFVBXMAVUMI-DTWKUNHWSA-N 1 0 184.308 1.726 10 30 ADEERO C[C@@H](CC#N)N[C@@H](C)CC[NH+](C)C 49557457 168332882 /nfs/dbraw/zinc/33/28/82/168332882.db2.gz VWWIQHWHBFSGQH-UWVGGRQHSA-N 1 0 183.299 1.218 10 30 ADEERO C[C@@H](CC#N)[NH2+][C@H]1CCCC[C@@H]1O 52013834 168332892 /nfs/dbraw/zinc/33/28/92/168332892.db2.gz FEOPUZNMBSUWEZ-GUBZILKMSA-N 1 0 182.267 1.182 10 30 ADEERO C[C@@H](CC#N)[NH2+][C@@H]1CC1(C)C 45119587 168332926 /nfs/dbraw/zinc/33/29/26/168332926.db2.gz NHZFOUFKVMYFAN-JGVFFNPUSA-N 1 0 152.241 1.677 10 30 ADEERO C[C@@H](CC#N)[NH2+][C@H](C)C1CC1 37871451 168332933 /nfs/dbraw/zinc/33/29/33/168332933.db2.gz DZGYNFSGEDUFHW-JGVFFNPUSA-N 1 0 152.241 1.677 10 30 ADEERO C[C@@H](CC#N)[NH2+]CC(C)(C)C 40493494 168332947 /nfs/dbraw/zinc/33/29/47/168332947.db2.gz QRWYJDGOCODKDE-QMMMGPOBSA-N 1 0 154.257 1.924 10 30 ADEERO C[C@@H](CC#N)[NH2+]C1(CO)CCCC1 53069523 168332957 /nfs/dbraw/zinc/33/29/57/168332957.db2.gz VAISUCDVAQZKBH-VIFPVBQESA-N 1 0 182.267 1.183 10 30 ADEERO C[C@@H](CC#N)[NH2+][C@H]1C=CCC1 75538950 168332990 /nfs/dbraw/zinc/33/29/90/168332990.db2.gz CUPBGMUVNXGRFI-IUCAKERBSA-N 1 0 150.225 1.597 10 30 ADEERO C[C@@H](CC#N)[NH2+]C1CC1 37871055 168332994 /nfs/dbraw/zinc/33/29/94/168332994.db2.gz MLXYNVUIMHDXNQ-LURJTMIESA-N 1 0 124.187 1.041 10 30 ADEERO C[C@@H](CC#N)[NH2+][C@H](C)Cn1ccnc1 49235359 168333009 /nfs/dbraw/zinc/33/30/09/168333009.db2.gz WSCPPYXXXAPITD-VHSXEESVSA-N 1 0 192.266 1.163 10 30 ADEERO C[C@@H](CC#N)[NH2+]C1(CO)CCCCC1 53097190 168333026 /nfs/dbraw/zinc/33/30/26/168333026.db2.gz PJARTTBOIBGPPL-JTQLQIEISA-N 1 0 196.294 1.573 10 30 ADEERO C[C@@H](CC#N)[NH2+][C@@H](C)Cn1cccn1 42540154 168333121 /nfs/dbraw/zinc/33/31/21/168333121.db2.gz NJORWBVCGSMVER-UWVGGRQHSA-N 1 0 192.266 1.163 10 30 ADEERO C[C@@H](CC#N)[N@@H+]1CCC[C@@H]1C 37910816 168333134 /nfs/dbraw/zinc/33/31/34/168333134.db2.gz PVXNIWHNRWZEDQ-IUCAKERBSA-N 1 0 152.241 1.773 10 30 ADEERO C[C@@H](CC#N)[NH2+][C@@H]1C=CCC1 75538956 168333142 /nfs/dbraw/zinc/33/31/42/168333142.db2.gz CUPBGMUVNXGRFI-DTWKUNHWSA-N 1 0 150.225 1.597 10 30 ADEERO C[C@@H](CC#N)N1CCCC[C@@H]1C[NH3+] 44559282 168333151 /nfs/dbraw/zinc/33/31/51/168333151.db2.gz FVZDRZWHRPIPKK-VHSXEESVSA-N 1 0 181.283 1.102 10 30 ADEERO C[C@@H](CC#N)N1CCC([NH+](C)C)CC1 48246874 168333268 /nfs/dbraw/zinc/33/32/68/168333268.db2.gz WTIYZPDJQLEUCW-JTQLQIEISA-N 1 0 195.310 1.315 10 30 ADEERO C[C@@H](CC#N)[NH2+][C@@H]1C[C@@H]1C 52286921 168333285 /nfs/dbraw/zinc/33/32/85/168333285.db2.gz SVLIUHUGBHDJCJ-BIIVOSGPSA-N 1 0 138.214 1.287 10 30 ADEERO C[C@@H](CC#N)[NH2+]CCc1ccco1 37981850 168333534 /nfs/dbraw/zinc/33/35/34/168333534.db2.gz UKVAOBVKHXMSTL-VIFPVBQESA-N 1 0 178.235 1.714 10 30 ADEERO C[C@@H](CC#N)N1[C@H]2CC[C@@H]1CC([NH3+])C2 40750465 168333714 /nfs/dbraw/zinc/33/37/14/168333714.db2.gz PFLBIAFLPHJYJJ-OFLUOSHYSA-N 1 0 193.294 1.243 10 30 ADEERO C[C@@H](CC#N)NC[C@@H]1CCC[N@H+](C)C1 44536676 168333727 /nfs/dbraw/zinc/33/37/27/168333727.db2.gz HZLDUWAGYJPVLP-QWRGUYRKSA-N 1 0 195.310 1.220 10 30 ADEERO C[C@@H](CC#N)[NH2+][C@@H](C)Cn1ccnc1 49235357 168333803 /nfs/dbraw/zinc/33/38/03/168333803.db2.gz WSCPPYXXXAPITD-UWVGGRQHSA-N 1 0 192.266 1.163 10 30 ADEERO C[C@@H](CC#N)[NH2+]C1CCC1 52210123 168333816 /nfs/dbraw/zinc/33/38/16/168333816.db2.gz KHIKPYBDOIBYKX-ZETCQYMHSA-N 1 0 138.214 1.431 10 30 ADEERO C[C@@H](CC#N)NCC(C)(C)[NH+](C)C 43411573 168333854 /nfs/dbraw/zinc/33/38/54/168333854.db2.gz YORUOPMFTZXOGU-VIFPVBQESA-N 1 0 183.299 1.218 10 30 ADEERO C[C@@H](CC#N)N[C@H](C)CC[NH+](C)C 49557458 168333861 /nfs/dbraw/zinc/33/38/61/168333861.db2.gz VWWIQHWHBFSGQH-VHSXEESVSA-N 1 0 183.299 1.218 10 30 ADEERO C[C@@H](CC#N)[NH2+][C@H]1CC1(C)C 45119591 168333964 /nfs/dbraw/zinc/33/39/64/168333964.db2.gz NHZFOUFKVMYFAN-YUMQZZPRSA-N 1 0 152.241 1.677 10 30 ADEERO C[C@@H](CC#N)[NH2+][C@H](C)Cn1cccn1 42540160 168334012 /nfs/dbraw/zinc/33/40/12/168334012.db2.gz NJORWBVCGSMVER-VHSXEESVSA-N 1 0 192.266 1.163 10 30 ADEERO C[C@@H](CC#N)[NH2+][C@@H](C)C1CC1 37871449 168334041 /nfs/dbraw/zinc/33/40/41/168334041.db2.gz DZGYNFSGEDUFHW-YUMQZZPRSA-N 1 0 152.241 1.677 10 30 ADEERO C[C@@H](CC#N)[NH2+][C@H]1C[C@@H]1C 52286918 168334173 /nfs/dbraw/zinc/33/41/73/168334173.db2.gz SVLIUHUGBHDJCJ-FXQIFTODSA-N 1 0 138.214 1.287 10 30 ADEERO C[C@@H](CC#N)[NH2+][C@@H]1CCCC[C@@H]1O 52013829 168334452 /nfs/dbraw/zinc/33/44/52/168334452.db2.gz FEOPUZNMBSUWEZ-AEJSXWLSSA-N 1 0 182.267 1.182 10 30 ADEERO C[C@@H](CC#N)[N@H+](CCO)C1CCCC1 42505941 168334636 /nfs/dbraw/zinc/33/46/36/168334636.db2.gz QIIVRUPANIOBGK-JTQLQIEISA-N 1 0 196.294 1.525 10 30 ADEERO C[C@@H](CC#N)NC[C@H]1CCC[N@H+](C)C1 44536680 168334681 /nfs/dbraw/zinc/33/46/81/168334681.db2.gz HZLDUWAGYJPVLP-WDEREUQCSA-N 1 0 195.310 1.220 10 30 ADEERO C[C@@H](CC#N)[NH2+]C1CCOCC1 37871497 168334692 /nfs/dbraw/zinc/33/46/92/168334692.db2.gz VHYYQBFSKDISFK-QMMMGPOBSA-N 1 0 168.240 1.057 10 30 ADEERO C[C@@H](CCC#N)C[NH+](C)C 39078700 168336654 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194.209 1.423 10 30 ADEERO C[C@@H]([NH3+])COc1ccc(C#N)cc1F 75881412 168364079 /nfs/dbraw/zinc/36/40/79/168364079.db2.gz IENKGFPMIARTAW-SSDOTTSWSA-N 1 0 194.209 1.423 10 30 ADEERO C[C@@H]([NH3+])COc1ccccc1C#N 75881456 168364538 /nfs/dbraw/zinc/36/45/38/168364538.db2.gz OUXYQXJQOAXNGK-MRVPVSSYSA-N 1 0 176.219 1.284 10 30 ADEERO C[C@@H]([NH3+])COc1ccc(C#N)cc1 75881404 168365175 /nfs/dbraw/zinc/36/51/75/168365175.db2.gz OUUIBZDNORUONN-MRVPVSSYSA-N 1 0 176.219 1.284 10 30 ADEERO C[C@@H]([NH3+])[C@@H](N(C)CCC#N)C(C)(C)C 43291874 168365973 /nfs/dbraw/zinc/36/59/73/168365973.db2.gz VZGJUMLBHHBDMU-NXEZZACHSA-N 1 0 197.326 1.594 10 30 ADEERO C[C@@H]([NH3+])[C@H](N(C)CCC#N)C(C)(C)C 43291870 168367952 /nfs/dbraw/zinc/36/79/52/168367952.db2.gz VZGJUMLBHHBDMU-ZJUUUORDSA-N 1 0 197.326 1.594 10 30 ADEERO C[C@@H]([NH3+])c1cc(C#N)ccc1F 75845421 168370009 /nfs/dbraw/zinc/37/00/09/168370009.db2.gz VUFKNZPRTMDINV-ZCFIWIBFSA-N 1 0 164.183 1.717 10 30 ADEERO C[C@@H]([NH3+])c1ccc(F)cc1OCC#N 62745629 168370108 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ADEERO C[C@@H](NCCC#N)[C@H]1CCC[N@H+](C)C1 37221668 168381266 /nfs/dbraw/zinc/38/12/66/168381266.db2.gz HMJRAHRYJCRNFK-MNOVXSKESA-N 1 0 195.310 1.220 10 30 ADEERO C[C@@H](NCCC#N)[C@@H]1CCC[N@H+](C)C1 37221666 168382321 /nfs/dbraw/zinc/38/23/21/168382321.db2.gz HMJRAHRYJCRNFK-GHMZBOCLSA-N 1 0 195.310 1.220 10 30 ADEERO C[C@@H](O)C[N@H+](C)CC1(C=O)CCCC1 51840325 168391951 /nfs/dbraw/zinc/39/19/51/168391951.db2.gz QNQCKGOORDQMHZ-SNVBAGLBSA-N 1 0 199.294 1.058 10 30 ADEERO C[C@@H]1CC(C#N)C[C@@H](C)[NH2+]1 82410619 168412513 /nfs/dbraw/zinc/41/25/13/168412513.db2.gz SBMNHTUIPCICNA-RNFRBKRXSA-N 1 0 138.214 1.287 10 30 ADEERO C[C@@H]1CCC[N@@H+]1CC(C)(C)C=O 51174973 168421370 /nfs/dbraw/zinc/42/13/70/168421370.db2.gz JNPXHZXRLGXADG-SECBINFHSA-N 1 0 169.268 1.696 10 30 ADEERO C[C@@H]1CCC[NH2+][C@@H]1CC#N 72231594 168422778 /nfs/dbraw/zinc/42/27/78/168422778.db2.gz OVJRAGIPQHIQQZ-HTQZYQBOSA-N 1 0 138.214 1.288 10 30 ADEERO C[C@@H]1CCC[C@@H](C)[NH+]1CC/C(N)=N/O 19478650 168424931 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PKBHDTAGNWZVPA-SNVBAGLBSA-N 1 0 183.299 1.030 10 30 ADEERO C[C@H](C#CC[NH3+])Oc1ccccc1 39089878 168508057 /nfs/dbraw/zinc/50/80/57/168508057.db2.gz CTPAMCYRGCRVCT-SNVBAGLBSA-N 1 0 175.231 1.416 10 30 ADEERO C[C@H](C#N)CN1CCC([NH+](C)C)CC1 36192130 168508978 /nfs/dbraw/zinc/50/89/78/168508978.db2.gz AXCRYKYBPGNMBR-SNVBAGLBSA-N 1 0 195.310 1.172 10 30 ADEERO C[C@H](C#N)C[N@@H+]1CCCC[C@@H]1CCO 31945849 168510095 /nfs/dbraw/zinc/51/00/95/168510095.db2.gz PYOCVNIGBASJPQ-GHMZBOCLSA-N 1 0 196.294 1.383 10 30 ADEERO C[C@H](C#N)Oc1cccc(CC[NH3+])c1 43518433 168510895 /nfs/dbraw/zinc/51/08/95/168510895.db2.gz PPPSRQFESOJLOK-SECBINFHSA-N 1 0 190.246 1.479 10 30 ADEERO C[C@H](C#N)Oc1ccccc1CC[NH3+] 43518407 168511636 /nfs/dbraw/zinc/51/16/36/168511636.db2.gz HKQPDINSYFDKEN-SECBINFHSA-N 1 0 190.246 1.479 10 30 ADEERO C[C@H](C#N)OCC[C@@H]1CCC[NH2+]C1 51918086 168511664 /nfs/dbraw/zinc/51/16/64/168511664.db2.gz RVEVXACRYXDPFP-ZJUUUORDSA-N 1 0 182.267 1.305 10 30 ADEERO C[C@H](C#N)Oc1ccc(C[NH3+])cc1 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181.626 1.108 10 30 ADEERO N#Cc1cc(C[NH2+]C2CC2)ccc1F 83341552 169116623 /nfs/dbraw/zinc/11/66/23/169116623.db2.gz IUPZOACCNDYRHQ-UHFFFAOYSA-N 1 0 190.221 1.949 10 30 ADEERO N#Cc1cc(Cl)cc(C[NH3+])c1 95763913 169116955 /nfs/dbraw/zinc/11/69/55/169116955.db2.gz YZUOCVPLXGXSEF-UHFFFAOYSA-N 1 0 166.611 1.670 10 30 ADEERO N#Cc1cc(Cl)ccc1OCC[NH3+] 52859377 169117014 /nfs/dbraw/zinc/11/70/14/169117014.db2.gz JAVSQXNUSMJEHA-UHFFFAOYSA-N 1 0 196.637 1.549 10 30 ADEERO N#Cc1cc(F)cc(CC[NH3+])c1 95764098 169117083 /nfs/dbraw/zinc/11/70/83/169117083.db2.gz WUXYAOYSAYLEGH-UHFFFAOYSA-N 1 0 164.183 1.199 10 30 ADEERO N#Cc1cc(Cl)nc(CC[NH3+])c1 95767573 169117209 /nfs/dbraw/zinc/11/72/09/169117209.db2.gz XXGZVNIPFWHNLI-UHFFFAOYSA-N 1 0 181.626 1.108 10 30 ADEERO N#Cc1cc(C[NH3+])ccc1OC1CC1 95737980 169117268 /nfs/dbraw/zinc/11/72/68/169117268.db2.gz NTLWWKSSAACMRY-UHFFFAOYSA-N 1 0 188.230 1.558 10 30 ADEERO N#Cc1cc(Cl)ccc1NCC[NH3+] 52858595 169117275 /nfs/dbraw/zinc/11/72/75/169117275.db2.gz UMKLEPGTWJRPDW-UHFFFAOYSA-N 1 0 195.653 1.582 10 30 ADEERO N#Cc1cc(Cl)cc(CC[NH3+])c1 95764775 169117278 /nfs/dbraw/zinc/11/72/78/169117278.db2.gz YHIKWXUTKJYYIO-UHFFFAOYSA-N 1 0 180.638 1.713 10 30 ADEERO N#Cc1cc(Cl)ccc1[C@@H]([NH3+])CO 72197788 169117286 /nfs/dbraw/zinc/11/72/86/169117286.db2.gz ZQWRIETWYBJSCH-VIFPVBQESA-N 1 0 196.637 1.204 10 30 ADEERO N#Cc1cc(C[NH3+])cc(Cl)n1 95766901 169117298 /nfs/dbraw/zinc/11/72/98/169117298.db2.gz JLHOITMVPBQAQF-UHFFFAOYSA-N 1 0 167.599 1.065 10 30 ADEERO N#Cc1cc(Cl)ccc1C[NH3+] 95642505 169117399 /nfs/dbraw/zinc/11/73/99/169117399.db2.gz AQQGSWIPNMTWEZ-UHFFFAOYSA-N 1 0 166.611 1.670 10 30 in-vitro ADEERO N#Cc1cc(CC[NH3+])cc(Cl)n1 95767941 169117481 /nfs/dbraw/zinc/11/74/81/169117481.db2.gz UNIHVKCDMWOKKL-UHFFFAOYSA-N 1 0 181.626 1.108 10 30 ADEERO N#Cc1cc(Cl)ccc1[C@@H](N)C[NH3+] 72200460 169117507 /nfs/dbraw/zinc/11/75/07/169117507.db2.gz MMUBCYYHCNDSMY-VIFPVBQESA-N 1 0 195.653 1.170 10 30 ADEERO N#Cc1cc(Cl)ccc1[C@H](N)C[NH3+] 72200459 169117565 /nfs/dbraw/zinc/11/75/65/169117565.db2.gz MMUBCYYHCNDSMY-SECBINFHSA-N 1 0 195.653 1.170 10 30 ADEERO N#Cc1cc(Cl)nc(C[NH3+])c1 95766584 169117598 /nfs/dbraw/zinc/11/75/98/169117598.db2.gz BRKNXMKXNQIBIW-UHFFFAOYSA-N 1 0 167.599 1.065 10 30 ADEERO N#Cc1cc2ccccc2nc1CN 75844843 169118002 /nfs/dbraw/zinc/11/80/02/169118002.db2.gz GFQCKQVQDRWCGB-UHFFFAOYSA-N 1 0 183.214 1.565 10 30 ADEERO N#Cc1cc2cncn2c(Cl)n1 238515204 169118337 /nfs/dbraw/zinc/11/83/37/169118337.db2.gz HLPQYKOPKQOGDS-UHFFFAOYSA-N 1 0 178.582 1.254 10 30 ADEERO N#Cc1cc(NCC[NH3+])ccc1F 82634711 169118818 /nfs/dbraw/zinc/11/88/18/169118818.db2.gz UCDFMCBBIOGAPT-UHFFFAOYSA-N 1 0 179.198 1.068 10 30 ADEERO N#Cc1cc(OCC[NH3+])ccc1F 75880719 169118865 /nfs/dbraw/zinc/11/88/65/169118865.db2.gz JDJUPSJTLFKATC-UHFFFAOYSA-N 1 0 180.182 1.035 10 30 ADEERO N#Cc1cc([C@H]2CCC[NH2+]2)ccc1N 72201567 169118923 /nfs/dbraw/zinc/11/89/23/169118923.db2.gz TUGQMAXACUAMMY-LLVKDONJSA-N 1 0 187.246 1.565 10 30 ADEERO N#Cc1cc([C@@H]2CCC[NH2+]2)ccc1N 72201566 169118998 /nfs/dbraw/zinc/11/89/98/169118998.db2.gz TUGQMAXACUAMMY-NSHDSACASA-N 1 0 187.246 1.565 10 30 ADEERO N#Cc1ccc(/C=C\C[NH3+])cc1 38665405 169119477 /nfs/dbraw/zinc/11/94/77/169119477.db2.gz IPRFIWUGUHOENH-UPHRSURJSA-N 1 0 158.204 1.530 10 30 ADEERO N#Cc1ccc(-n2cc[nH+]c2N)cc1 75843675 169119662 /nfs/dbraw/zinc/11/96/62/169119662.db2.gz WNMHONWROSBKDT-UHFFFAOYSA-N 1 0 184.202 1.326 10 30 ADEERO N#Cc1ccc(-c2nc(C[NH3+])co2)cc1 82638405 169119675 /nfs/dbraw/zinc/11/96/75/169119675.db2.gz UYVDFHFGGJLVQT-UHFFFAOYSA-N 1 0 199.213 1.672 10 30 ADEERO N#Cc1ccc(CC[NH3+])cc1F 39089081 169119689 /nfs/dbraw/zinc/11/96/89/169119689.db2.gz RWJTWLOKJFFRKN-UHFFFAOYSA-N 1 0 164.183 1.199 10 30 ADEERO N#Cc1ccc(-c2n[nH]cc2C[NH3+])cc1 82638246 169119838 /nfs/dbraw/zinc/11/98/38/169119838.db2.gz YCESDCXMXMODTO-UHFFFAOYSA-N 1 0 198.229 1.407 10 30 ADEERO N#Cc1ccc(-c2c[nH]c(N)[nH+]2)cc1 66101791 169119995 /nfs/dbraw/zinc/11/99/95/169119995.db2.gz UDVAZBBVVWOGCI-UHFFFAOYSA-N 1 0 184.202 1.531 10 30 ADEERO N#Cc1ccc(-n2cc(C[NH3+])cn2)cc1 37065007 169120118 /nfs/dbraw/zinc/12/01/18/169120118.db2.gz GNZXZEDKLUUUGK-UHFFFAOYSA-N 1 0 198.229 1.203 10 30 ADEERO N#Cc1ccc(N2CC[C@H]([NH3+])C2)cc1 35260894 169120821 /nfs/dbraw/zinc/12/08/21/169120821.db2.gz INKWHCKEXARISY-JTQLQIEISA-N 1 0 187.246 1.096 10 30 ADEERO N#Cc1ccc(CSCC[NH3+])cc1 19505273 169120824 /nfs/dbraw/zinc/12/08/24/169120824.db2.gz ROKHXAPUPVKXTE-UHFFFAOYSA-N 1 0 192.287 1.750 10 30 ADEERO N#Cc1ccc(F)c(C[NH2+]C2CC2)c1 19273503 169121095 /nfs/dbraw/zinc/12/10/95/169121095.db2.gz ORFMCQPFUMNJMZ-UHFFFAOYSA-N 1 0 190.221 1.949 10 30 ADEERO N#Cc1ccc(N)c([C@@H]2CCC[NH2+]2)c1 72201568 169121104 /nfs/dbraw/zinc/12/11/04/169121104.db2.gz JBIMNQHDTNCINS-NSHDSACASA-N 1 0 187.246 1.565 10 30 ADEERO N#Cc1ccc(COCCC[NH3+])cc1 51865121 169121111 /nfs/dbraw/zinc/12/11/11/169121111.db2.gz WUUHIECHGMVGJY-UHFFFAOYSA-N 1 0 190.246 1.424 10 30 ADEERO N#Cc1ccc(NC2CC([NH3+])C2)cc1 36268746 169121270 /nfs/dbraw/zinc/12/12/70/169121270.db2.gz KNCGFNLSRUCAFR-UHFFFAOYSA-N 1 0 187.246 1.460 10 30 ADEERO N#Cc1ccc(NCCC[NH3+])cc1 19867379 169121555 /nfs/dbraw/zinc/12/15/55/169121555.db2.gz DSZAYNLNOQIVST-UHFFFAOYSA-N 1 0 175.235 1.319 10 30 ADEERO N#Cc1ccc(N)c([C@H]2CCC[NH2+]2)c1 72201569 169121698 /nfs/dbraw/zinc/12/16/98/169121698.db2.gz JBIMNQHDTNCINS-LLVKDONJSA-N 1 0 187.246 1.565 10 30 ADEERO N#Cc1ccc(Cl)cc1NCC[NH3+] 62785760 169121729 /nfs/dbraw/zinc/12/17/29/169121729.db2.gz VGQIOMOPWMRXMN-UHFFFAOYSA-N 1 0 195.653 1.582 10 30 ADEERO N#Cc1ccc(COCC[NH3+])cc1 51864468 169121769 /nfs/dbraw/zinc/12/17/69/169121769.db2.gz LBAJKLNMIHEPPT-UHFFFAOYSA-N 1 0 176.219 1.034 10 30 ADEERO N#Cc1ccc(C[NH3+])cc1OC1CC1 95737736 169121777 /nfs/dbraw/zinc/12/17/77/169121777.db2.gz RNEWJUPYVNFNOX-UHFFFAOYSA-N 1 0 188.230 1.558 10 30 ADEERO N#Cc1ccc(CSC(N)=[NH2+])cc1 4322084 169121790 /nfs/dbraw/zinc/12/17/90/169121790.db2.gz GUWGDCBFBSPGKP-UHFFFAOYSA-N 1 0 191.259 1.685 10 30 in-vivo ADEERO N#Cc1ccc(F)c(C[NH3+])c1F 75927816 169121819 /nfs/dbraw/zinc/12/18/19/169121819.db2.gz VCPUPBBBADMNST-UHFFFAOYSA-N 1 0 168.146 1.295 10 30 ADEERO N#Cc1ccc(C[NH3+])c(OC2CC2)c1 95737961 169121851 /nfs/dbraw/zinc/12/18/51/169121851.db2.gz CTPSDGNTUNBTBN-UHFFFAOYSA-N 1 0 188.230 1.558 10 30 ADEERO N#Cc1ccc(NCCC[NH3+])c(F)c1 36886436 169121861 /nfs/dbraw/zinc/12/18/61/169121861.db2.gz CJURRJBRIAQMLN-UHFFFAOYSA-N 1 0 193.225 1.458 10 30 ADEERO N#Cc1ccc(N2CC[C@@H]([NH3+])C2)cc1 35260895 169121940 /nfs/dbraw/zinc/12/19/40/169121940.db2.gz INKWHCKEXARISY-SNVBAGLBSA-N 1 0 187.246 1.096 10 30 ADEERO N#Cc1ccc(C[C@@H]2CC[NH2+]C2)cc1 35571926 169121979 /nfs/dbraw/zinc/12/19/79/169121979.db2.gz UHOWLBAFOMZQFN-LBPRGKRZSA-N 1 0 186.258 1.710 10 30 ADEERO N#Cc1ccc(F)c(COCC[NH3+])c1 51864462 169121996 /nfs/dbraw/zinc/12/19/96/169121996.db2.gz NILXUNJOPJEKFA-UHFFFAOYSA-N 1 0 194.209 1.173 10 30 ADEERO N#Cc1ccc(Cl)cc1OCC[NH3+] 62786585 169122021 /nfs/dbraw/zinc/12/20/21/169122021.db2.gz KKGQWRSDTWJOEF-UHFFFAOYSA-N 1 0 196.637 1.549 10 30 ADEERO N#Cc1ccc(C[NH2+][C@@H]2CC23CC3)o1 335285796 169122086 /nfs/dbraw/zinc/12/20/86/169122086.db2.gz HDZOIZHQRHXIHO-SNVBAGLBSA-N 1 0 188.230 1.793 10 30 ADEERO N#Cc1ccc(F)c(CC[NH3+])c1 75845628 169122096 /nfs/dbraw/zinc/12/20/96/169122096.db2.gz MGOJBORTFPMCDL-UHFFFAOYSA-N 1 0 164.183 1.199 10 30 ADEERO N#Cc1ccc(C[C@H]2CC[NH2+]C2)cc1 35571928 169122180 /nfs/dbraw/zinc/12/21/80/169122180.db2.gz UHOWLBAFOMZQFN-GFCCVEGCSA-N 1 0 186.258 1.710 10 30 ADEERO N#Cc1ccc(C[NH2+][C@H]2CC23CC3)o1 335285795 169122282 /nfs/dbraw/zinc/12/22/82/169122282.db2.gz HDZOIZHQRHXIHO-JTQLQIEISA-N 1 0 188.230 1.793 10 30 ADEERO N#Cc1ccc(COCC[NH3+])c(F)c1 51864395 169122341 /nfs/dbraw/zinc/12/23/41/169122341.db2.gz IYWYOVPDQVMGPO-UHFFFAOYSA-N 1 0 194.209 1.173 10 30 ADEERO N#Cc1ccc(N[C@H]2C[C@H]2[NH3+])cc1 36267805 169122623 /nfs/dbraw/zinc/12/26/23/169122623.db2.gz OAOMIZHTMKXVOA-ZJUUUORDSA-N 1 0 173.219 1.070 10 30 ADEERO N#Cc1ccc(NCC[NH3+])cc1Cl 61845581 169122676 /nfs/dbraw/zinc/12/26/76/169122676.db2.gz OSTCQBIEEOCIEF-UHFFFAOYSA-N 1 0 195.653 1.582 10 30 ADEERO N#Cc1ccc(N[C@@H]2C[C@@H]2[NH3+])c(F)c1 36886612 169122691 /nfs/dbraw/zinc/12/26/91/169122691.db2.gz ZBNSEYBCCCLSSP-WCBMZHEXSA-N 1 0 191.209 1.209 10 30 ADEERO N#Cc1ccc(N[C@@H]2C[C@H]2[NH3+])c(F)c1 36886614 169122740 /nfs/dbraw/zinc/12/27/40/169122740.db2.gz ZBNSEYBCCCLSSP-PSASIEDQSA-N 1 0 191.209 1.209 10 30 ADEERO N#Cc1ccc(N[C@H]2C[C@@H]2[NH3+])c(F)c1 36886613 169122751 /nfs/dbraw/zinc/12/27/51/169122751.db2.gz ZBNSEYBCCCLSSP-WPRPVWTQSA-N 1 0 191.209 1.209 10 30 ADEERO N#Cc1ccc(NCC[NH3+])c(Cl)c1 62790628 169122753 /nfs/dbraw/zinc/12/27/53/169122753.db2.gz SDLOKVNZSPFKOE-UHFFFAOYSA-N 1 0 195.653 1.582 10 30 ADEERO N#Cc1ccc(N[C@H]2C[C@@H]2[NH3+])cc1 36267803 169122770 /nfs/dbraw/zinc/12/27/70/169122770.db2.gz OAOMIZHTMKXVOA-UWVGGRQHSA-N 1 0 173.219 1.070 10 30 ADEERO N#Cc1ccc(N[C@@H]2C[C@H]2[NH3+])cc1 36267804 169122786 /nfs/dbraw/zinc/12/27/86/169122786.db2.gz OAOMIZHTMKXVOA-NXEZZACHSA-N 1 0 173.219 1.070 10 30 ADEERO N#Cc1ccc(NCC[NH3+])c(F)c1 36886435 169122817 /nfs/dbraw/zinc/12/28/17/169122817.db2.gz IEWDEUPGBVMUTH-UHFFFAOYSA-N 1 0 179.198 1.068 10 30 ADEERO N#Cc1ccc(N[C@@H]2C[C@@H]2[NH3+])cc1 36267802 169122855 /nfs/dbraw/zinc/12/28/55/169122855.db2.gz OAOMIZHTMKXVOA-VHSXEESVSA-N 1 0 173.219 1.070 10 30 ADEERO N#Cc1ccc(N[C@H]2C[C@H]2[NH3+])c(F)c1 36886615 169123000 /nfs/dbraw/zinc/12/30/00/169123000.db2.gz ZBNSEYBCCCLSSP-SCZZXKLOSA-N 1 0 191.209 1.209 10 30 ADEERO N#Cc1ccc2c(c1)CN[C@H](CF)C2 13517608 169123471 /nfs/dbraw/zinc/12/34/71/169123471.db2.gz UYOIEPOOLGXPIW-NSHDSACASA-N 1 0 190.221 1.542 10 30 ADEERO N#Cc1ccc2c(c1)CN[C@@H](CF)C2 13517612 169123527 /nfs/dbraw/zinc/12/35/27/169123527.db2.gz UYOIEPOOLGXPIW-LLVKDONJSA-N 1 0 190.221 1.542 10 30 ADEERO N#Cc1cccc(C[C@@H]2CC[NH2+]C2)c1 35571931 169123677 /nfs/dbraw/zinc/12/36/77/169123677.db2.gz UELRSYIILCALMJ-LBPRGKRZSA-N 1 0 186.258 1.710 10 30 ADEERO N#Cc1cccc(COCC[NH3+])c1 51864288 169123725 /nfs/dbraw/zinc/12/37/25/169123725.db2.gz GVKPRLYCBMZMIF-UHFFFAOYSA-N 1 0 176.219 1.034 10 30 ADEERO N#Cc1cccc([C@H]2C[C@H]2C[NH3+])c1 54561833 169123855 /nfs/dbraw/zinc/12/38/55/169123855.db2.gz MLQXPZHKJQNZTQ-WDEREUQCSA-N 1 0 172.231 1.620 10 30 ADEERO N#Cc1cccc([C@H]2CC[NH2+]2)c1 44257831 169123908 /nfs/dbraw/zinc/12/39/08/169123908.db2.gz QDSSUZQNGXNWQD-SNVBAGLBSA-N 1 0 158.204 1.593 10 30 ADEERO N#Cc1cccc([C@H]2C[C@H]2[NH3+])c1 37381453 169123926 /nfs/dbraw/zinc/12/39/26/169123926.db2.gz DOLHJRMXMPDGFP-NXEZZACHSA-N 1 0 158.204 1.373 10 30 ADEERO N#Cc1cccc([C@@H]2CC[NH2+]2)c1 44257826 169124007 /nfs/dbraw/zinc/12/40/07/169124007.db2.gz QDSSUZQNGXNWQD-JTQLQIEISA-N 1 0 158.204 1.593 10 30 ADEERO N#Cc1cccc(COCCC[NH3+])c1 51864943 169124212 /nfs/dbraw/zinc/12/42/12/169124212.db2.gz RGCBALPVNLHZLS-UHFFFAOYSA-N 1 0 190.246 1.424 10 30 ADEERO N#Cc1cccc(CC[NH3+])c1F 75927809 169124234 /nfs/dbraw/zinc/12/42/34/169124234.db2.gz XZUMEAFXHCNBDJ-UHFFFAOYSA-N 1 0 164.183 1.199 10 30 ADEERO N#Cc1cccc(N2CC[C@@H]([NH3+])C2)c1 50245014 169124267 /nfs/dbraw/zinc/12/42/67/169124267.db2.gz QQKVLMIGDWRIIM-SNVBAGLBSA-N 1 0 187.246 1.096 10 30 ADEERO N#Cc1cccc([C@H]([NH3+])C2CC2)c1 95079054 169124318 /nfs/dbraw/zinc/12/43/18/169124318.db2.gz AHRAEHOXXQRTRW-LLVKDONJSA-N 1 0 172.231 1.968 10 30 ADEERO N#Cc1cccc([C@H]2C[C@@H]2C[NH3+])c1 54561830 169124343 /nfs/dbraw/zinc/12/43/43/169124343.db2.gz MLQXPZHKJQNZTQ-GHMZBOCLSA-N 1 0 172.231 1.620 10 30 ADEERO N#Cc1cccc([C@@H]2C[C@@H]2[NH3+])c1 37381447 169124367 /nfs/dbraw/zinc/12/43/67/169124367.db2.gz DOLHJRMXMPDGFP-UWVGGRQHSA-N 1 0 158.204 1.373 10 30 ADEERO N#Cc1cccc(N2CC[C@H]([NH3+])C2)c1 50245013 169124373 /nfs/dbraw/zinc/12/43/73/169124373.db2.gz QQKVLMIGDWRIIM-JTQLQIEISA-N 1 0 187.246 1.096 10 30 ADEERO N#Cc1cccc(C[C@H]2CC[NH2+]C2)c1 35571934 169124393 /nfs/dbraw/zinc/12/43/93/169124393.db2.gz UELRSYIILCALMJ-GFCCVEGCSA-N 1 0 186.258 1.710 10 30 ADEERO N#Cc1cccc(OC2CC2)c1C[NH3+] 95737845 169124455 /nfs/dbraw/zinc/12/44/55/169124455.db2.gz BBYZMJDFJSECJD-UHFFFAOYSA-N 1 0 188.230 1.558 10 30 ADEERO N#Cc1cccc([C@@H]2C[C@@H]2C[NH3+])c1 54561828 169124519 /nfs/dbraw/zinc/12/45/19/169124519.db2.gz MLQXPZHKJQNZTQ-MNOVXSKESA-N 1 0 172.231 1.620 10 30 ADEERO N#Cc1cccc([C@@H]2C[C@H]2C[NH3+])c1 54561832 169124584 /nfs/dbraw/zinc/12/45/84/169124584.db2.gz MLQXPZHKJQNZTQ-QWRGUYRKSA-N 1 0 172.231 1.620 10 30 ADEERO N#Cc1cccc(C[NH3+])c1OC1CC1 95737759 169124600 /nfs/dbraw/zinc/12/46/00/169124600.db2.gz OCMFYYWJKZLDNJ-UHFFFAOYSA-N 1 0 188.230 1.558 10 30 ADEERO N#Cc1cccc(NCCC[NH3+])c1 52945673 169124616 /nfs/dbraw/zinc/12/46/16/169124616.db2.gz IJRWRNXIQHQJEH-UHFFFAOYSA-N 1 0 175.235 1.319 10 30 ADEERO N#Cc1cccc(CSC(N)=[NH2+])c1 4322359 169124727 /nfs/dbraw/zinc/12/47/27/169124727.db2.gz FNTVRWMBCOPYBD-UHFFFAOYSA-N 1 0 191.259 1.685 10 30 ADEERO N#Cc1cccc([C@H]2C[C@@H]2[NH3+])c1 37381449 169124883 /nfs/dbraw/zinc/12/48/83/169124883.db2.gz DOLHJRMXMPDGFP-ZJUUUORDSA-N 1 0 158.204 1.373 10 30 ADEERO N#Cc1cccc(F)c1CC[NH3+] 40435028 169124905 /nfs/dbraw/zinc/12/49/05/169124905.db2.gz YYZIKEYTQGMAHH-UHFFFAOYSA-N 1 0 164.183 1.199 10 30 ADEERO N#Cc1cccc(NCc2c[nH]cn2)c1 54763268 169124922 /nfs/dbraw/zinc/12/49/22/169124922.db2.gz GHVBCRWGOOINNH-UHFFFAOYSA-N 1 0 198.229 1.893 10 30 ADEERO N#Cc1cccc([C@@H]2C[C@H]2[NH3+])c1 37381451 169124982 /nfs/dbraw/zinc/12/49/82/169124982.db2.gz DOLHJRMXMPDGFP-VHSXEESVSA-N 1 0 158.204 1.373 10 30 ADEERO N#Cc1cccc2c1[C@H]([NH3+])CCC2 88189300 169125645 /nfs/dbraw/zinc/12/56/45/169125645.db2.gz QBASZPWVSZNRCW-SNVBAGLBSA-N 1 0 172.231 1.894 10 30 ADEERO N#Cc1cccc2c1[C@@H]([NH3+])CCC2 88189301 169125943 /nfs/dbraw/zinc/12/59/43/169125943.db2.gz QBASZPWVSZNRCW-JTQLQIEISA-N 1 0 172.231 1.894 10 30 ADEERO N#Cc1ccccc1-n1cc[nH+]c1N 75843705 169126056 /nfs/dbraw/zinc/12/60/56/169126056.db2.gz FBHQNNOGESJZBQ-UHFFFAOYSA-N 1 0 184.202 1.326 10 30 ADEERO N#Cc1cccnc1[C@H]1CCC[NH2+]C1 75869715 169126404 /nfs/dbraw/zinc/12/64/04/169126404.db2.gz LEHFRMBLQDSKCS-JTQLQIEISA-N 1 0 187.246 1.420 10 30 ADEERO N#Cc1ccccc1[C@H]1CC[NH2+]C1 44135393 169126456 /nfs/dbraw/zinc/12/64/56/169126456.db2.gz RERCWRSBTQQTGT-JTQLQIEISA-N 1 0 172.231 1.635 10 30 ADEERO N#Cc1cccnc1SCC[NH3+] 82634772 169126479 /nfs/dbraw/zinc/12/64/79/169126479.db2.gz KCCYIINQIGGRCF-UHFFFAOYSA-N 1 0 179.248 1.004 10 30 ADEERO N#Cc1cccnc1[C@@H]1CCC[NH2+]C1 75869714 169127151 /nfs/dbraw/zinc/12/71/51/169127151.db2.gz LEHFRMBLQDSKCS-SNVBAGLBSA-N 1 0 187.246 1.420 10 30 ADEERO N#Cc1ccsc1N1CC[NH2+]CC1 82387928 169129337 /nfs/dbraw/zinc/12/93/37/169129337.db2.gz NJGRZNIDMVSHGZ-UHFFFAOYSA-N 1 0 193.275 1.029 10 30 ADEERO N#Cc1cncc([C@@H]2CCC[NH2+]2)c1 104512386 169129806 /nfs/dbraw/zinc/12/98/06/169129806.db2.gz ZSZBKUWTRITPNN-JTQLQIEISA-N 1 0 173.219 1.378 10 30 ADEERO N#Cc1cnccc1[C@H]1CCC[NH2+]1 82399712 169129888 /nfs/dbraw/zinc/12/98/88/169129888.db2.gz NHJPZQYQFZETPI-SNVBAGLBSA-N 1 0 173.219 1.378 10 30 ADEERO N#Cc1cnccc1[C@@H]1CCCC[NH2+]1 82391681 169129913 /nfs/dbraw/zinc/12/99/13/169129913.db2.gz YUGVRQJJQWURDK-NSHDSACASA-N 1 0 187.246 1.768 10 30 ADEERO N#Cc1cnccc1[C@@H]1CCC[NH2+]1 82399711 169129975 /nfs/dbraw/zinc/12/99/75/169129975.db2.gz NHJPZQYQFZETPI-JTQLQIEISA-N 1 0 173.219 1.378 10 30 ADEERO N#Cc1cnccc1[C@H]1CCC[NH2+]C1 82391680 169130071 /nfs/dbraw/zinc/13/00/71/169130071.db2.gz XEQHCZOTRGMKPN-VIFPVBQESA-N 1 0 187.246 1.420 10 30 ADEERO N#Cc1cnccc1C1CC[NH2+]CC1 82391678 169130130 /nfs/dbraw/zinc/13/01/30/169130130.db2.gz NZSRXIKWNMNAJE-UHFFFAOYSA-N 1 0 187.246 1.420 10 30 ADEERO N#Cc1cnccc1[C@H]1CCCC[NH2+]1 82391682 169130424 /nfs/dbraw/zinc/13/04/24/169130424.db2.gz YUGVRQJJQWURDK-LLVKDONJSA-N 1 0 187.246 1.768 10 30 ADEERO N#Cc1cnccc1[C@@H]1CCC[NH2+]C1 82391679 169130540 /nfs/dbraw/zinc/13/05/40/169130540.db2.gz XEQHCZOTRGMKPN-SECBINFHSA-N 1 0 187.246 1.420 10 30 ADEERO N#Cc1cncc([C@H]2CCC[NH2+]2)c1 104663516 169130790 /nfs/dbraw/zinc/13/07/90/169130790.db2.gz ZSZBKUWTRITPNN-SNVBAGLBSA-N 1 0 173.219 1.378 10 30 ADEERO N/C(CCCOc1ccccc1)=N\O 19489165 169132433 /nfs/dbraw/zinc/13/24/33/169132433.db2.gz KQPYZTRCQPOOFZ-UHFFFAOYSA-N 1 0 194.234 1.592 10 30 ADEERO N/C(=[NH+]\c1ccccc1)n1ccnc1 38220718 169132639 /nfs/dbraw/zinc/13/26/39/169132639.db2.gz LOGIHLVWNGAXQD-UHFFFAOYSA-N 1 0 186.218 1.378 10 30 ADEERO NC(N=O)Nc1ccc(Cl)cc1 13558691 169132751 /nfs/dbraw/zinc/13/27/51/169132751.db2.gz JYBXKTLYOMPMQY-UHFFFAOYSA-N 1 0 185.614 1.265 10 30 in-vivo ADEERO N/C(CCCOCc1ccco1)=N\O 19488090 169132829 /nfs/dbraw/zinc/13/28/29/169132829.db2.gz NSZJRMCVMPTYAF-UHFFFAOYSA-N 1 0 198.222 1.323 10 30 ADEERO N/C=C/C=C/C(=O)C(F)(F)F 100095260 169132837 /nfs/dbraw/zinc/13/28/37/169132837.db2.gz PUFHMZXKUAYDGF-ZPUQHVIOSA-N 1 0 165.114 1.146 10 30 ADEERO N/C(CC[NH+]1CCCCCCC1)=N\O 20266002 169133064 /nfs/dbraw/zinc/13/30/64/169133064.db2.gz IMMHUORRFJDTHP-UHFFFAOYSA-N 1 0 199.298 1.389 10 30 ADEERO N/C(CCc1ccc(O)cc1)=N\O 2547451 169133373 /nfs/dbraw/zinc/13/33/73/169133373.db2.gz PMJMLTBXNHCNDF-UHFFFAOYSA-N 1 0 180.207 1.071 10 30 ADEERO N/C(CCCOC1CCCC1)=N\O 19513899 169133477 /nfs/dbraw/zinc/13/34/77/169133477.db2.gz CMKAVSREHFBQSV-UHFFFAOYSA-N 1 0 186.255 1.472 10 30 ADEERO N[NH+]=C(NC1CC1)c1cccc(F)c1 42036544 169133878 /nfs/dbraw/zinc/13/38/78/169133878.db2.gz KJJNMJGOWWURNI-UHFFFAOYSA-N 1 0 193.225 1.198 10 30 ADEERO N[NH+]=C(NC1CC1)c1ccccc1 42036562 169133906 /nfs/dbraw/zinc/13/39/06/169133906.db2.gz YJFKAXZKZUVMRF-UHFFFAOYSA-N 1 0 175.235 1.059 10 30 ADEERO [NH2+]=CNc1ccccc1 15767277 169134086 /nfs/dbraw/zinc/13/40/86/169134086.db2.gz YKSCOZXTXACAIX-UHFFFAOYSA-N 1 0 120.155 1.305 10 30 ADEERO N[NH+]=C(NC1CC1)c1ccc(F)cc1 42036755 169134412 /nfs/dbraw/zinc/13/44/12/169134412.db2.gz FITOZDVPWDAITO-UHFFFAOYSA-N 1 0 193.225 1.198 10 30 ADEERO N[NH+]=C(N)C12CC3CC(CC(C3)C1)C2 4203872 169134417 /nfs/dbraw/zinc/13/44/17/169134417.db2.gz AULIWGWZHZKXII-UHFFFAOYSA-N 1 0 193.294 1.434 10 30 ADEERO [NH2+]=CNc1ccccc1O 75525155 169134515 /nfs/dbraw/zinc/13/45/15/169134515.db2.gz RIUDNNWBQBNYQY-UHFFFAOYSA-N 1 0 136.154 1.011 10 30 ADEERO N[NH+]=C(N)SCc1ccccc1 2382408 169135000 /nfs/dbraw/zinc/13/50/00/169135000.db2.gz ZYXQNVLSPICEKM-UHFFFAOYSA-N 1 0 181.264 1.108 10 30 ADEERO N[NH+]=C(N)C1CCCCCC1 4203871 169135043 /nfs/dbraw/zinc/13/50/43/169135043.db2.gz CRVZJNTZCHUPEB-UHFFFAOYSA-N 1 0 155.245 1.188 10 30 ADEERO N[NH+]=C(N)c1ccc2c(c1)CCCC2 75851387 169135118 /nfs/dbraw/zinc/13/51/18/169135118.db2.gz ROCJWBINKZNTTF-UHFFFAOYSA-N 1 0 189.262 1.144 10 30 ADEERO N[NH+]=C(N)c1ccc(F)cc1Cl 42038474 169135252 /nfs/dbraw/zinc/13/52/52/169135252.db2.gz APBGQPCCAUVILO-UHFFFAOYSA-N 1 0 187.605 1.058 10 30 ADEERO N[NH+]=C(N)c1ccc(Cl)c(F)c1 43389069 169135318 /nfs/dbraw/zinc/13/53/18/169135318.db2.gz XLXLGEMLNJCBQH-UHFFFAOYSA-N 1 0 187.605 1.058 10 30 ADEERO [NH2+]=C(CS)NCc1ccccn1 169331875 169136352 /nfs/dbraw/zinc/13/63/52/169136352.db2.gz SRKCCQBSVJFQII-UHFFFAOYSA-N 1 0 181.264 1.078 10 30 ADEERO [NH2+]=C(CS)NC1CCCC1 1733093 169136857 /nfs/dbraw/zinc/13/68/57/169136857.db2.gz NNGGVAZULGLJCU-UHFFFAOYSA-N 1 0 158.270 1.426 10 30 ADEERO Nc1ccc(O)c2c1C(=O)C=CC2=[NH2+] 100724427 169143557 /nfs/dbraw/zinc/14/35/57/169143557.db2.gz DQRBQYWUILSPIG-UHFFFAOYSA-N 1 0 188.186 1.095 10 30 ADEERO NC1=[NH+][C@@H](C[C@@H]2CO2)CCCC1 21633 169143960 /nfs/dbraw/zinc/14/39/60/169143960.db2.gz AEXBCOVVIHXHKA-HTQZYQBOSA-N 1 0 168.240 1.285 10 30 ADEERO [NH2+]=CC#Cc1ccccc1 39048959 169144289 /nfs/dbraw/zinc/14/42/89/169144289.db2.gz BBIGQSXJCSOBQF-UHFFFAOYSA-N 1 0 129.162 1.688 10 30 ADEERO [NH3+]CC#Cc1ccc(F)c(F)c1F 61837679 169173288 /nfs/dbraw/zinc/17/32/88/169173288.db2.gz VPMNCJFIQOAFGP-UHFFFAOYSA-N 1 0 185.148 1.414 10 30 ADEERO [NH3+]CC#Cc1cccc(OC(F)F)c1 37471093 169173336 /nfs/dbraw/zinc/17/33/36/169173336.db2.gz DFHQPEYEIZWKAV-UHFFFAOYSA-N 1 0 197.184 1.598 10 30 ADEERO [NH3+]CC#CCCc1ccccc1 71791711 169173460 /nfs/dbraw/zinc/17/34/60/169173460.db2.gz MTSNGLMZDPJXTE-UHFFFAOYSA-N 1 0 159.232 1.581 10 30 ADEERO [NH3+]CC#Cc1ccc2c(c1)CCCO2 38058315 169173471 /nfs/dbraw/zinc/17/34/71/169173471.db2.gz XWSFINAZAFIAQK-UHFFFAOYSA-N 1 0 187.242 1.322 10 30 ADEERO [NH3+]CC#Cc1ccc2c(c1)CCC2 37471046 169173477 /nfs/dbraw/zinc/17/34/77/169173477.db2.gz KDWINBJXPCELCF-UHFFFAOYSA-N 1 0 171.243 1.486 10 30 ADEERO [NH3+]CC#Cc1ccc2c(c1)COC2 62334247 169173521 /nfs/dbraw/zinc/17/35/21/169173521.db2.gz HXJKLGHEAPYGGV-UHFFFAOYSA-N 1 0 173.215 1.027 10 30 ADEERO [NH3+]CC#Cc1ccc(OC(F)F)cc1 37471077 169173535 /nfs/dbraw/zinc/17/35/35/169173535.db2.gz HFOFWVCJISXSFW-UHFFFAOYSA-N 1 0 197.184 1.598 10 30 ADEERO [NH3+]CC#Cc1cc(F)ccc1F 37471015 169173576 /nfs/dbraw/zinc/17/35/76/169173576.db2.gz IUOVRGBKVSPMBD-UHFFFAOYSA-N 1 0 167.158 1.275 10 30 ADEERO [NH3+]CC#Cc1c(F)cc(F)cc1F 37471033 169173626 /nfs/dbraw/zinc/17/36/26/169173626.db2.gz ORZUVQSITIGADW-UHFFFAOYSA-N 1 0 185.148 1.414 10 30 ADEERO [NH3+]CC#Cc1ccc(Cl)s1 82633826 169173696 /nfs/dbraw/zinc/17/36/96/169173696.db2.gz ZXLPODLOXOXUED-UHFFFAOYSA-N 1 0 171.652 1.712 10 30 ADEERO [NH3+]CC#Cc1cccc2cnccc12 61123252 169173793 /nfs/dbraw/zinc/17/37/93/169173793.db2.gz CDGYHFAILCMXIS-UHFFFAOYSA-N 1 0 182.226 1.545 10 30 ADEERO [NH3+]CC#Cc1cc(F)cc(F)c1 37470972 169173884 /nfs/dbraw/zinc/17/38/84/169173884.db2.gz KNBVECXSALQSAT-UHFFFAOYSA-N 1 0 167.158 1.275 10 30 ADEERO [NH3+]CC#Cc1ccc2c(c1)CCCC2 37471029 169173938 /nfs/dbraw/zinc/17/39/38/169173938.db2.gz GBEVTPAIKDUUCD-UHFFFAOYSA-N 1 0 185.270 1.876 10 30 ADEERO [NH3+]CC#CCc1ccccc1 34865758 169173964 /nfs/dbraw/zinc/17/39/64/169173964.db2.gz IVGUVVWQZREBAF-UHFFFAOYSA-N 1 0 145.205 1.191 10 30 ADEERO [NH3+]CCCOCC#Cc1ccccc1 51865206 169183868 /nfs/dbraw/zinc/18/38/68/169183868.db2.gz ROKPSWZUZPACKW-UHFFFAOYSA-N 1 0 189.258 1.404 10 30 ADEERO [NH3+]CCOCC#Cc1ccccc1 51864551 169191560 /nfs/dbraw/zinc/19/15/60/169191560.db2.gz CVJWKJDAXKWGGC-UHFFFAOYSA-N 1 0 175.231 1.013 10 30 ADEERO [NH3+]CCSCC#Cc1ccccc1 51814523 169191669 /nfs/dbraw/zinc/19/16/69/169191669.db2.gz NZFGBSMPCHRMLS-UHFFFAOYSA-N 1 0 191.299 1.730 10 30 ADEERO [NH3+]CCc1csc(CCS)n1 83341412 169199343 /nfs/dbraw/zinc/19/93/43/169199343.db2.gz WFKZARNMXPJJGG-UHFFFAOYSA-N 1 0 188.321 1.117 10 30 ADEERO [NH3+]C[C@@H](C=O)c1ccc(Cl)cc1 44248537 169202207 /nfs/dbraw/zinc/20/22/07/169202207.db2.gz DPBKKYAOYFRPNA-QMMMGPOBSA-N 1 0 183.638 1.581 10 30 ADEERO [NH3+]C[C@@H](S)Cc1ccccc1 82633158 169206040 /nfs/dbraw/zinc/20/60/40/169206040.db2.gz HILBQOCDHOJSME-VIFPVBQESA-N 1 0 167.277 1.486 10 30 ADEERO [NH3+]C[C@@H](S)c1ccccc1 3642671 169207097 /nfs/dbraw/zinc/20/70/97/169207097.db2.gz QNJQQAPUUXDTKM-MRVPVSSYSA-N 1 0 153.250 1.616 10 30 ADEERO [NH3+]C[C@H](C=O)c1ccc(Cl)cc1 44248540 169212099 /nfs/dbraw/zinc/21/20/99/169212099.db2.gz DPBKKYAOYFRPNA-MRVPVSSYSA-N 1 0 183.638 1.581 10 30 ADEERO [NH3+]C[C@H](S)Cc1ccccc1 82633159 169213972 /nfs/dbraw/zinc/21/39/72/169213972.db2.gz HILBQOCDHOJSME-SECBINFHSA-N 1 0 167.277 1.486 10 30 ADEERO [NH3+]C[C@H](S)c1ccccc1 3642674 169214397 /nfs/dbraw/zinc/21/43/97/169214397.db2.gz QNJQQAPUUXDTKM-QMMMGPOBSA-N 1 0 153.250 1.616 10 30 ADEERO [NH3+]Cc1cc(C#CCO)ccc1Cl 21987632 169219322 /nfs/dbraw/zinc/21/93/22/169219322.db2.gz DUIQBRSQVDWTLE-UHFFFAOYSA-N 1 0 195.649 1.143 10 30 ADEERO [NH3+]Cc1ccc(CS)cc1 58261415 169222645 /nfs/dbraw/zinc/22/26/45/169222645.db2.gz SSGJETHRPRCVCD-UHFFFAOYSA-N 1 0 153.250 1.575 10 30 ADEERO [NH3+]Cc1csc(CCS)n1 83340209 169229568 /nfs/dbraw/zinc/22/95/68/169229568.db2.gz QDZSETPNZFHVLP-UHFFFAOYSA-N 1 0 174.294 1.074 10 30 ADEERO [NH3+][C@@H](C=O)Cc1c[nH]c2ccccc12 101146451 169243685 /nfs/dbraw/zinc/24/36/85/169243685.db2.gz SOPHXQXKBAXPAL-SECBINFHSA-N 1 0 188.230 1.237 10 30 ADEERO [NH3+][C@@H](CS)Cc1ccc(O)cc1 28255290 169245403 /nfs/dbraw/zinc/24/54/03/169245403.db2.gz GWUVRRHWGBTQHY-MRVPVSSYSA-N 1 0 183.276 1.192 10 30 ADEERO [NH3+][C@@H](CS)Cc1ccccc1 13528294 169245509 /nfs/dbraw/zinc/24/55/09/169245509.db2.gz BUAPSNKVPWEGPA-SECBINFHSA-N 1 0 167.277 1.486 10 30 ADEERO [NH3+][C@@H](CS)c1ccccc1 28255279 169245629 /nfs/dbraw/zinc/24/56/29/169245629.db2.gz BYWNHDXZFZXBLV-QMMMGPOBSA-N 1 0 153.250 1.616 10 30 ADEERO [NH3+][C@@H]1CCCC[C@H]1S 33867584 169251817 /nfs/dbraw/zinc/25/18/17/169251817.db2.gz BYCQYUBCJFOYRR-PHDIDXHHSA-N 1 0 131.244 1.186 10 30 ADEERO [NH3+][C@@H]1CCCC[C@@H]1S 33867583 169252041 /nfs/dbraw/zinc/25/20/41/169252041.db2.gz BYCQYUBCJFOYRR-RITPCOANSA-N 1 0 131.244 1.186 10 30 ADEERO [NH3+][C@H](C=O)Cc1c[nH]c2ccccc12 100545724 169264383 /nfs/dbraw/zinc/26/43/83/169264383.db2.gz SOPHXQXKBAXPAL-VIFPVBQESA-N 1 0 188.230 1.237 10 30 ADEERO [NH3+][C@H](CS)Cc1ccccc1 13528297 169267925 /nfs/dbraw/zinc/26/79/25/169267925.db2.gz BUAPSNKVPWEGPA-VIFPVBQESA-N 1 0 167.277 1.486 10 30 in-vivo ADEERO [NH3+][C@H](CS)CCc1ccccc1 29251178 169268157 /nfs/dbraw/zinc/26/81/57/169268157.db2.gz OMEJZTIVCZZOPI-JTQLQIEISA-N 1 0 181.304 1.876 10 30 in-vivo ADEERO [NH3+][C@H](CS)c1ccccc1 28255285 169268552 /nfs/dbraw/zinc/26/85/52/169268552.db2.gz BYWNHDXZFZXBLV-MRVPVSSYSA-N 1 0 153.250 1.616 10 30 in-vivo ADEERO [NH3+][C@H](CS)Cc1ccc(O)cc1 28255297 169268690 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C#C[C@@]1(O)CCCC[C@H]1[NH2+]CC=C 536553489 325667178 /nfs/dbraw/zinc/66/71/78/325667178.db2.gz NQUALTMCVHDJCC-GHMZBOCLSA-N 1 0 179.263 1.069 10 30 ADEERO CN(C)c1ccc(/C=[NH+]/N)cc1 129610 342927637 /nfs/dbraw/zinc/92/76/37/342927637.db2.gz XMEOVXDIXDRWLH-YRNVUSSQSA-N 1 0 163.224 1.045 10 30 ADEERO CC(C)NC(NC(C)C)=[NH+]C(C)C 2535793 342975007 /nfs/dbraw/zinc/97/50/07/342975007.db2.gz ALOOBTJGUXDERE-UHFFFAOYSA-N 1 0 185.315 1.747 10 30 ADEERO C=C(C)C(=O)OCC[NH+]1CCCCC1 2572009 342978078 /nfs/dbraw/zinc/97/80/78/342978078.db2.gz GMTJKMKNOIUGPG-UHFFFAOYSA-N 1 0 197.278 1.592 10 30 ADEERO CCCC[N+]12CCC(CC1)C(=O)C2 3171367 342981342 /nfs/dbraw/zinc/98/13/42/342981342.db2.gz QKOQSVCNAPNNPQ-UHFFFAOYSA-N 1 0 182.287 1.596 10 30 ADEERO CC1(C)CC(=NN)CC(C)(C)[NH2+]1 5295301 343000668 /nfs/dbraw/zinc/00/06/68/343000668.db2.gz XDJLGONJMIZDGP-UHFFFAOYSA-N 1 0 169.272 1.242 10 30 ADEERO C[N+](C)(C)CC(=O)c1ccc(N)cc1 5159396 342999224 /nfs/dbraw/zinc/99/92/24/342999224.db2.gz FUCCPFJAOOGRRI-UHFFFAOYSA-O 1 0 193.270 1.158 10 30 ADEERO C[N@@H+]1[C@H]2CC[C@@H]1CC(C#N)C2 5352993 343001501 /nfs/dbraw/zinc/00/15/01/343001501.db2.gz DOUCIMIQXTWTDF-CBLAIPOGSA-N 1 0 150.225 1.383 10 30 ADEERO CCCC[N@H+](C)[C@H](C)/C=N/O 5419327 343002093 /nfs/dbraw/zinc/00/20/93/343002093.db2.gz BHFDWIZVSCNDCB-KGOFQHAKSA-N 1 0 158.245 1.567 10 30 ADEERO CCCC1CCC(N=NC(N)=[NH2+])CC1 5446537 343003098 /nfs/dbraw/zinc/00/30/98/343003098.db2.gz IWSVXWJVTMHGBG-UHFFFAOYSA-N 1 0 196.298 1.816 10 30 ADEERO CC/C=[NH+]/CCC 5819430 343008481 /nfs/dbraw/zinc/00/84/81/343008481.db2.gz YMMCFOVWHFLGON-FNORWQNLSA-N 1 0 99.177 1.877 10 30 ADEERO CN(C)/C=[NH+]/c1cccc(O)c1 5957181 343010378 /nfs/dbraw/zinc/01/03/78/343010378.db2.gz RKXRPBBZGFLVTF-JXMROGBWSA-N 1 0 164.208 1.614 10 30 in-vitro ADEERO CC1CC[NH+](CCS)CC1 5964725 343010678 /nfs/dbraw/zinc/01/06/78/343010678.db2.gz BEDQRIVTSAWOHD-UHFFFAOYSA-N 1 0 159.298 1.648 10 30 ADEERO C[N+](C)=Cc1ccccc1 6068058 343012299 /nfs/dbraw/zinc/01/22/99/343012299.db2.gz 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/nfs/dbraw/zinc/03/78/71/343037871.db2.gz LOMVBXWLWKPXJV-UHFFFAOYSA-N 1 0 189.262 1.429 10 30 ADEERO C/[NH+]=C/c1ccc([N+](=O)[O-])cc1 16978838 343045512 /nfs/dbraw/zinc/04/55/12/343045512.db2.gz KXVFTZOZYASDRU-RMKNXTFCSA-N 1 0 164.164 1.644 10 30 ADEERO C[NH+](C)/C=C/C=C1\CCCC1=O 18100596 343047935 /nfs/dbraw/zinc/04/79/35/343047935.db2.gz ZJGYSCILCCOQAI-HNJDCKIISA-N 1 0 165.236 1.741 10 30 ADEERO CCC[NH2+]CCCC#N 20056542 343066722 /nfs/dbraw/zinc/06/67/22/343066722.db2.gz AXGGWZCNQYIOSX-UHFFFAOYSA-N 1 0 126.203 1.290 10 30 ADEERO CN(CCC[NH3+])c1ccc(C#N)cc1 20239993 343069903 /nfs/dbraw/zinc/06/99/03/343069903.db2.gz LOLQZOQRBSJRRD-UHFFFAOYSA-N 1 0 189.262 1.343 10 30 ADEERO C[C@H](C[NH3+])N(C)c1ccc(C#N)cc1 20261071 343070413 /nfs/dbraw/zinc/07/04/13/343070413.db2.gz FEUMPVZNXFZBCD-SECBINFHSA-N 1 0 189.262 1.342 10 30 ADEERO C[C@H]1CCC[N@H+](C[C@@H]2CO2)C1 22176034 343080282 /nfs/dbraw/zinc/08/02/82/343080282.db2.gz NKWOTMSEBBVNDJ-DTWKUNHWSA-N 1 0 155.241 1.117 10 30 ADEERO O=CC[N@@H+]1C[C@H]2CCCC[C@@H]21 24666830 343086380 /nfs/dbraw/zinc/08/63/80/343086380.db2.gz LDFLXKHDTIRHCQ-BDAKNGLRSA-N 1 0 153.225 1.060 10 30 ADEERO O=CC[N@@H+]1C[C@@H]2CCCC[C@@H]21 24666823 343086478 /nfs/dbraw/zinc/08/64/78/343086478.db2.gz LDFLXKHDTIRHCQ-IUCAKERBSA-N 1 0 153.225 1.060 10 30 ADEERO C[C@H]1CCC[N@H+](CCS)C1 26509718 343089350 /nfs/dbraw/zinc/08/93/50/343089350.db2.gz AUSGLVZSDFRMIF-QMMMGPOBSA-N 1 0 159.298 1.648 10 30 ADEERO C[C@H]1CCC[N@@H+](C[C@@H](C)C#N)C1 31945854 343094545 /nfs/dbraw/zinc/09/45/45/343094545.db2.gz HIBQDDVJOOBRHA-UWVGGRQHSA-N 1 0 166.268 1.878 10 30 ADEERO C[C@H](C#N)C[NH+]1CCCCC1 31945913 343094555 /nfs/dbraw/zinc/09/45/55/343094555.db2.gz TXOLEVNIQFXVSJ-SECBINFHSA-N 1 0 152.241 1.632 10 30 ADEERO C=CCN1CC[N@H+](CC=C)[C@@H](C)C1 32139759 343098133 /nfs/dbraw/zinc/09/81/33/343098133.db2.gz BVKMZBVEMNMKPR-NSHDSACASA-N 1 0 180.295 1.365 10 30 ADEERO C=C[C@H](C)[NH+](CC)CC 32136108 343098161 /nfs/dbraw/zinc/09/81/61/343098161.db2.gz 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/nfs/dbraw/zinc/10/93/16/343109316.db2.gz ZGQKIODAYVUFAJ-LURJTMIESA-N 1 0 133.260 1.114 10 30 ADEERO C[C@H](C=O)[NH+]1CCCCC1 34364384 343117529 /nfs/dbraw/zinc/11/75/29/343117529.db2.gz BSJGGOJFVKTXOV-MRVPVSSYSA-N 1 0 141.214 1.060 10 30 ADEERO C[C@@H](C=O)[NH+]1CCCCC1 34364383 343117538 /nfs/dbraw/zinc/11/75/38/343117538.db2.gz BSJGGOJFVKTXOV-QMMMGPOBSA-N 1 0 141.214 1.060 10 30 ADEERO N#Cc1ccc(/C=C/C[NH3+])cc1 34412102 343118696 /nfs/dbraw/zinc/11/86/96/343118696.db2.gz IPRFIWUGUHOENH-OWOJBTEDSA-N 1 0 158.204 1.530 10 30 ADEERO CC[C@H](CC#N)[NH+](C)C 34434719 343119358 /nfs/dbraw/zinc/11/93/58/343119358.db2.gz YRTBDYZWOBUNOE-SSDOTTSWSA-N 1 0 126.203 1.240 10 30 ADEERO CC[C@@H](CC#N)[NH+](C)C 34434715 343119366 /nfs/dbraw/zinc/11/93/66/343119366.db2.gz YRTBDYZWOBUNOE-ZETCQYMHSA-N 1 0 126.203 1.240 10 30 ADEERO C[N@@H+]1CCC[C@H]1CS 34539728 343121420 /nfs/dbraw/zinc/12/14/20/343121420.db2.gz HCYWWPNQMQXVMT-LURJTMIESA-N 1 0 131.244 1.010 10 30 ADEERO CC1(C)CCC[N@@H+]1CCC#N 34792311 343125140 /nfs/dbraw/zinc/12/51/40/343125140.db2.gz GLMMILDEBREHSF-UHFFFAOYSA-N 1 0 152.241 1.774 10 30 ADEERO C[NH+](C)C1CCN(CCCC#N)CC1 35247950 343130633 /nfs/dbraw/zinc/13/06/33/343130633.db2.gz MLUOXRQZIYFRPS-UHFFFAOYSA-N 1 0 195.310 1.316 10 30 ADEERO C[C@H](C#N)C[NH2+][C@H](C)C1CC1 35733586 343137465 /nfs/dbraw/zinc/13/74/65/343137465.db2.gz HOMIPWIBBZXSNJ-HTQZYQBOSA-N 1 0 152.241 1.534 10 30 ADEERO C[C@H]([NH2+]C[C@@H](C)C#N)C1CC1 35733585 343137640 /nfs/dbraw/zinc/13/76/40/343137640.db2.gz HOMIPWIBBZXSNJ-YUMQZZPRSA-N 1 0 152.241 1.534 10 30 ADEERO C[C@H](C#N)C[NH2+][C@@H](C)C1CC1 35733584 343137644 /nfs/dbraw/zinc/13/76/44/343137644.db2.gz HOMIPWIBBZXSNJ-SFYZADRCSA-N 1 0 152.241 1.534 10 30 ADEERO CCCCn1cc[n+](CCC#N)c1 35963452 343140015 /nfs/dbraw/zinc/14/00/15/343140015.db2.gz XVDPEEATDCJIAZ-UHFFFAOYSA-N 1 0 178.259 1.489 10 30 ADEERO CC(C)[NH+]1CCN(C[C@@H](C)C#N)CC1 36171054 343141418 /nfs/dbraw/zinc/14/14/18/343141418.db2.gz GJNYNLNRVCWTOM-NSHDSACASA-N 1 0 195.310 1.172 10 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CPWYJGIYYTYJNG-YUMQZZPRSA-N 1 0 140.230 1.534 10 30 ADEERO C[N@H+](CCCC#N)Cc1ccccn1 36777552 343150102 /nfs/dbraw/zinc/15/01/02/343150102.db2.gz APIXNUDOUUDSIV-UHFFFAOYSA-N 1 0 189.262 1.817 10 30 ADEERO C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1NCCC#N 36908378 343153792 /nfs/dbraw/zinc/15/37/92/343153792.db2.gz HGGCRRFKINJCLQ-MXWKQRLJSA-N 1 0 195.310 1.218 10 30 ADEERO C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1NCCC#N 36908380 343154357 /nfs/dbraw/zinc/15/43/57/343154357.db2.gz HGGCRRFKINJCLQ-GMTAPVOTSA-N 1 0 195.310 1.218 10 30 ADEERO CC[C@@H](CC#N)N1CCC[N@H+](C)CC1 36986723 343156808 /nfs/dbraw/zinc/15/68/08/343156808.db2.gz BEVNDOPXTCHLSH-NSHDSACASA-N 1 0 195.310 1.316 10 30 ADEERO CC[C@@H](CC#N)[NH+]1CCCC1 36986705 343156847 /nfs/dbraw/zinc/15/68/47/343156847.db2.gz ZGSGCUNYBWFJJN-VIFPVBQESA-N 1 0 152.241 1.774 10 30 ADEERO CC[C@H](CC#N)[NH+]1CCCC1 36986706 343156952 /nfs/dbraw/zinc/15/69/52/343156952.db2.gz ZGSGCUNYBWFJJN-SECBINFHSA-N 1 0 152.241 1.774 10 30 ADEERO CC[C@H](CC#N)N1CCC[N@H+](C)CC1 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1.398 10 30 ADEERO CC#CC[C@@H]([NH3+])c1cccnc1 51665096 343291081 /nfs/dbraw/zinc/29/10/81/343291081.db2.gz DPDGOOGGQGCUAL-SNVBAGLBSA-N 1 0 160.220 1.495 10 30 ADEERO CC#CC[C@@H]([NH3+])C(C)(C)C 51665180 343291097 /nfs/dbraw/zinc/29/10/97/343291097.db2.gz GOLAEPUYTRMKDX-MRVPVSSYSA-N 1 0 139.242 1.773 10 30 ADEERO CC#CC[C@@H]([NH2+]C)C1CC1 51665492 343291120 /nfs/dbraw/zinc/29/11/20/343291120.db2.gz DXOMCKYBMGXSFE-SECBINFHSA-N 1 0 137.226 1.398 10 30 ADEERO CC#CC[C@H]([NH3+])C(C)C 51665135 343291123 /nfs/dbraw/zinc/29/11/23/343291123.db2.gz ACFHUPOVSMZJBY-QMMMGPOBSA-N 1 0 125.215 1.383 10 30 ADEERO CC#CC[C@@H]([NH3+])C1CC1 51665174 343291175 /nfs/dbraw/zinc/29/11/75/343291175.db2.gz CVSMJZIBTYIOAM-MRVPVSSYSA-N 1 0 123.199 1.137 10 30 ADEERO CC#CC[C@@H]([NH2+]C)C(C)C 51665380 343291178 /nfs/dbraw/zinc/29/11/78/343291178.db2.gz ROUKACJVGIADJG-SECBINFHSA-N 1 0 139.242 1.644 10 30 ADEERO CC#CC[C@H](C)[NH2+]C 51665450 343291181 /nfs/dbraw/zinc/29/11/81/343291181.db2.gz JQAKATXKVPJONN-ZETCQYMHSA-N 1 0 111.188 1.008 10 30 ADEERO CC#CC[C@H](CC)[NH2+]CC 51665441 343291183 /nfs/dbraw/zinc/29/11/83/343291183.db2.gz DXMIIBHVGGJPAH-VIFPVBQESA-N 1 0 139.242 1.788 10 30 ADEERO CC#CC[C@@H]([NH3+])CC 51665155 343291198 /nfs/dbraw/zinc/29/11/98/343291198.db2.gz UNOOCPCLKPZHIG-ZETCQYMHSA-N 1 0 111.188 1.137 10 30 ADEERO CC#CC[C@@H](C)[NH2+]C 51665448 343291200 /nfs/dbraw/zinc/29/12/00/343291200.db2.gz JQAKATXKVPJONN-SSDOTTSWSA-N 1 0 111.188 1.008 10 30 ADEERO CC#CC[C@@H]([NH3+])CC(C)C 51665130 343291207 /nfs/dbraw/zinc/29/12/07/343291207.db2.gz ADNHSGBSPHETBW-SECBINFHSA-N 1 0 139.242 1.773 10 30 ADEERO C[C@@H]1CC[N@H+](CC=O)[C@H](C)C1 51733516 343292527 /nfs/dbraw/zinc/29/25/27/343292527.db2.gz ODLPOLZTIGMYDD-RKDXNWHRSA-N 1 0 155.241 1.306 10 30 ADEERO C[C@@H]1CC[N@H+](C[C@@H]2CO2)[C@H](C)C1 51731752 343292680 /nfs/dbraw/zinc/29/26/80/343292680.db2.gz ZGNDJJPTHXJVIH-OPRDCNLKSA-N 1 0 169.268 1.506 10 30 ADEERO C[C@H]1CC[N@H+](CC=O)[C@H](C)C1 51733518 343292898 /nfs/dbraw/zinc/29/28/98/343292898.db2.gz ODLPOLZTIGMYDD-DTWKUNHWSA-N 1 0 155.241 1.306 10 30 ADEERO C[C@H]1CC[N@H+](C[C@@H]2CO2)[C@H](C)C1 51731754 343292934 /nfs/dbraw/zinc/29/29/34/343292934.db2.gz ZGNDJJPTHXJVIH-IVZWLZJFSA-N 1 0 169.268 1.506 10 30 ADEERO C[C@H](C#N)OC[C@@H]1CCCC[NH2+]1 51816071 343293845 /nfs/dbraw/zinc/29/38/45/343293845.db2.gz MWKANKLYAFOUKX-BDAKNGLRSA-N 1 0 168.240 1.057 10 30 ADEERO Cc1cc(C#N)ccc1OCC[NH3+] 51870310 343294478 /nfs/dbraw/zinc/29/44/78/343294478.db2.gz XQQDGIVLWHCXPI-UHFFFAOYSA-N 1 0 176.219 1.204 10 30 ADEERO C[C@H](CC#N)[NH2+][C@@H]1CCCC[C@@H]1O 52013831 343297457 /nfs/dbraw/zinc/29/74/57/343297457.db2.gz FEOPUZNMBSUWEZ-BBBLOLIVSA-N 1 0 182.267 1.182 10 30 ADEERO C[C@H](NC(N)=[NH2+])c1ccc(C#N)cc1 52019182 343297876 /nfs/dbraw/zinc/29/78/76/343297876.db2.gz WULZVVVCVQPUSN-ZETCQYMHSA-N 1 0 188.234 1.102 10 30 ADEERO CNC(=[NH2+])Nc1cc(F)ccc1F 52069400 343299445 /nfs/dbraw/zinc/29/94/45/343299445.db2.gz MHDPKFLCVYPAPU-UHFFFAOYSA-N 1 0 185.177 1.130 10 30 ADEERO CNC(=[NH2+])Nc1cc(F)cc(F)c1 52069726 343299492 /nfs/dbraw/zinc/29/94/92/343299492.db2.gz HARDEUDACLNYGE-UHFFFAOYSA-N 1 0 185.177 1.130 10 30 ADEERO NC(=[NH2+])Nc1cccc(Cl)c1F 52091884 343299861 /nfs/dbraw/zinc/29/98/61/343299861.db2.gz VMQUDCGXXKTWBN-UHFFFAOYSA-N 1 0 187.605 1.384 10 30 ADEERO CNC(=[NH2+])Nc1c(F)cccc1F 52069836 343299887 /nfs/dbraw/zinc/29/98/87/343299887.db2.gz OZBMBOWTFVHTPC-UHFFFAOYSA-N 1 0 185.177 1.130 10 30 ADEERO CNC(=[NH2+])Nc1cccc(F)c1F 52091603 343299896 /nfs/dbraw/zinc/29/98/96/343299896.db2.gz OMDWZISYBZOPFK-UHFFFAOYSA-N 1 0 185.177 1.130 10 30 ADEERO COc1ccc(Cl)c(NC(N)=[NH2+])c1 52091907 343299926 /nfs/dbraw/zinc/29/99/26/343299926.db2.gz OANZCZYLNDTLOZ-UHFFFAOYSA-N 1 0 199.641 1.254 10 30 ADEERO NC(=[NH2+])Nc1cccc2cccnc12 52091850 343299904 /nfs/dbraw/zinc/29/99/04/343299904.db2.gz LMHOGLGPAFLJIZ-UHFFFAOYSA-N 1 0 186.218 1.140 10 30 ADEERO NC(=[NH2+])Nc1cc(Cl)ccc1F 52091896 343299944 /nfs/dbraw/zinc/29/99/44/343299944.db2.gz MYNNRYUWISYJQF-UHFFFAOYSA-N 1 0 187.605 1.384 10 30 ADEERO C=C[C@H](C)[N@@H+]1CCC[C@H](CO)C1 52144804 343301464 /nfs/dbraw/zinc/30/14/64/343301464.db2.gz WLDBZGYNDMILNJ-UWVGGRQHSA-N 1 0 169.268 1.265 10 30 ADEERO C=C[C@@H](C)[N@@H+]1CCC[C@H](CO)C1 52144806 343301518 /nfs/dbraw/zinc/30/15/18/343301518.db2.gz WLDBZGYNDMILNJ-ZJUUUORDSA-N 1 0 169.268 1.265 10 30 ADEERO C=C[C@H](C)OCC[NH2+]CC 52143253 343301527 /nfs/dbraw/zinc/30/15/27/343301527.db2.gz YEJYKPASXHDWMT-QMMMGPOBSA-N 1 0 143.230 1.187 10 30 ADEERO O=CC1(C[NH+]2CCCC2)CCOCC1 52179864 343301677 /nfs/dbraw/zinc/30/16/77/343301677.db2.gz FGOHAOYQNXEDQX-UHFFFAOYSA-N 1 0 197.278 1.078 10 30 ADEERO C#CC[NH2+]Cc1ccccc1CC 52199982 343301755 /nfs/dbraw/zinc/30/17/55/343301755.db2.gz VOKUZEUWXBOXKE-UHFFFAOYSA-N 1 0 173.259 1.972 10 30 ADEERO C[C@H](CC#N)[NH2+]C1CCC1 52210125 343302115 /nfs/dbraw/zinc/30/21/15/343302115.db2.gz KHIKPYBDOIBYKX-SSDOTTSWSA-N 1 0 138.214 1.431 10 30 ADEERO C[C@H](C#N)C[NH2+]C1CCC1 52210017 343302154 /nfs/dbraw/zinc/30/21/54/343302154.db2.gz PSKFMUVJOQDFNV-SSDOTTSWSA-N 1 0 138.214 1.288 10 30 ADEERO C=CCO[C@@H](C)CCC[NH3+] 52599009 343306465 /nfs/dbraw/zinc/30/64/65/343306465.db2.gz BERWOVOYRQUGOW-QMMMGPOBSA-N 1 0 143.230 1.316 10 30 ADEERO C=CCCOCCCC[NH3+] 52599541 343306503 /nfs/dbraw/zinc/30/65/03/343306503.db2.gz HCQCXMDRTNRMJY-UHFFFAOYSA-N 1 0 143.230 1.318 10 30 ADEERO C=CCO[C@H](C)CCC[NH3+] 52599011 343306535 /nfs/dbraw/zinc/30/65/35/343306535.db2.gz BERWOVOYRQUGOW-MRVPVSSYSA-N 1 0 143.230 1.316 10 30 ADEERO C#CC[NH2+]Cc1ccc(F)c(C)c1 52684774 343306581 /nfs/dbraw/zinc/30/65/81/343306581.db2.gz AXBCKBSXRNRRIW-UHFFFAOYSA-N 1 0 177.222 1.857 10 30 ADEERO C=C(C)C[N@@H+]1CCC[C@@H]1CCCO 52762751 343306941 /nfs/dbraw/zinc/30/69/41/343306941.db2.gz LCAJJLFJWGCAFT-LLVKDONJSA-N 1 0 183.295 1.799 10 30 ADEERO CC#CC[N@@H+]1CCC[C@H]1CCCO 52762652 343306988 /nfs/dbraw/zinc/30/69/88/343306988.db2.gz QJTNCNNXADZWQD-NSHDSACASA-N 1 0 181.279 1.247 10 30 ADEERO C=CC[N@H+]1CCC[C@@H]1CCCO 52761995 343306996 /nfs/dbraw/zinc/30/69/96/343306996.db2.gz IYVGIAFEWVZZPP-SNVBAGLBSA-N 1 0 169.268 1.409 10 30 ADEERO C=CC[N@H+]1CCC[C@H]1CCCO 52761996 343307138 /nfs/dbraw/zinc/30/71/38/343307138.db2.gz IYVGIAFEWVZZPP-JTQLQIEISA-N 1 0 169.268 1.409 10 30 ADEERO N#CCCC[N@H+]1CCC[C@H]1CCCO 52759558 343307194 /nfs/dbraw/zinc/30/71/94/343307194.db2.gz JRPNDTGZVBEPPH-NSHDSACASA-N 1 0 196.294 1.527 10 30 ADEERO C[C@@H](N/C(N)=[NH+]/O)c1ccccc1 52833135 343309165 /nfs/dbraw/zinc/30/91/65/343309165.db2.gz UXIWJUPTNVJNAO-SSDOTTSWSA-N 1 0 179.223 1.041 10 30 ADEERO C[C@@H]1CCC[C@@H](N/C(N)=[NH+]/O)[C@@H]1C 52833220 343309171 /nfs/dbraw/zinc/30/91/71/343309171.db2.gz FMFUVBVDJLISHX-BWZBUEFSSA-N 1 0 185.271 1.105 10 30 ADEERO C[C@@H]1CCC[C@H](N/C(N)=[NH+]/O)[C@@H]1C 52833216 343309258 /nfs/dbraw/zinc/30/92/58/343309258.db2.gz FMFUVBVDJLISHX-PRJMDXOYSA-N 1 0 185.271 1.105 10 30 ADEERO N/C(NC1CCCCCCC1)=[NH+]\O 52833528 343309333 /nfs/dbraw/zinc/30/93/33/343309333.db2.gz XVPYQFPDMDUALU-UHFFFAOYSA-N 1 0 185.271 1.393 10 30 ADEERO N/C(=[NH+]/O)N1CCC[C@@H]2CCCC[C@@H]21 52833824 343309512 /nfs/dbraw/zinc/30/95/12/343309512.db2.gz XRZLKZAPYCMRST-IUCAKERBSA-N 1 0 197.282 1.345 10 30 ADEERO N/C(=[NH+]/O)N1CCC[C@H]2CCCC[C@@H]21 52833828 343309620 /nfs/dbraw/zinc/30/96/20/343309620.db2.gz XRZLKZAPYCMRST-BDAKNGLRSA-N 1 0 197.282 1.345 10 30 ADEERO N/C(=[NH+]/O)N1CCC[C@@H]2CCCC[C@H]21 52833822 343309625 /nfs/dbraw/zinc/30/96/25/343309625.db2.gz XRZLKZAPYCMRST-DTWKUNHWSA-N 1 0 197.282 1.345 10 30 ADEERO CN(/C(N)=[NH+]/O)C1CCCCCC1 52833800 343309660 /nfs/dbraw/zinc/30/96/60/343309660.db2.gz SFVSPPZQAOVREV-UHFFFAOYSA-N 1 0 185.271 1.345 10 30 ADEERO N/C(NCCC1CCCCC1)=[NH+]\O 52833863 343309758 /nfs/dbraw/zinc/30/97/58/343309758.db2.gz XNVQSWOJPKZUBN-UHFFFAOYSA-N 1 0 185.271 1.250 10 30 ADEERO C[C@H]1CCCC[C@@H]1CN/C(N)=[NH+]/O 52834030 343309992 /nfs/dbraw/zinc/30/99/92/343309992.db2.gz KSATWJACRYGMHE-JGVFFNPUSA-N 1 0 185.271 1.106 10 30 ADEERO CC1(N/C(N)=[NH+]/O)CCCCC1 52834322 343309998 /nfs/dbraw/zinc/30/99/98/343309998.db2.gz UPSZBBRNIWFQHK-UHFFFAOYSA-N 1 0 171.244 1.003 10 30 ADEERO C[C@@H]1CCCC[C@@H]1CN/C(N)=[NH+]/O 52834028 343310012 /nfs/dbraw/zinc/31/00/12/343310012.db2.gz KSATWJACRYGMHE-HTQZYQBOSA-N 1 0 185.271 1.106 10 30 ADEERO C[C@H]1CCC[C@H](N(C)/C(N)=[NH+]/O)C1 52834141 343310067 /nfs/dbraw/zinc/31/00/67/343310067.db2.gz ILCKMSRYHQFGPL-YUMQZZPRSA-N 1 0 185.271 1.201 10 30 ADEERO N/C(=[NH+]/O)N1CCC[C@@H]1C1CCCC1 52834184 343310071 /nfs/dbraw/zinc/31/00/71/343310071.db2.gz BOFUQHUKWISAPD-SECBINFHSA-N 1 0 197.282 1.345 10 30 ADEERO N/C(=[NH+]/O)N1CCC[C@H]1C1CCCC1 52834182 343310079 /nfs/dbraw/zinc/31/00/79/343310079.db2.gz BOFUQHUKWISAPD-VIFPVBQESA-N 1 0 197.282 1.345 10 30 ADEERO C[C@H]1CCC[C@@H](N(C)/C(N)=[NH+]/O)C1 52834146 343310187 /nfs/dbraw/zinc/31/01/87/343310187.db2.gz ILCKMSRYHQFGPL-JGVFFNPUSA-N 1 0 185.271 1.201 10 30 ADEERO C[C@H](N/C(N)=[NH+]/O)C1CCCCC1 52833968 343310196 /nfs/dbraw/zinc/31/01/96/343310196.db2.gz JGGAEMWTMQBAHZ-ZETCQYMHSA-N 1 0 185.271 1.249 10 30 ADEERO C[C@@H]1CCCC[C@H]1CN/C(N)=[NH+]/O 52834033 343310206 /nfs/dbraw/zinc/31/02/06/343310206.db2.gz KSATWJACRYGMHE-SFYZADRCSA-N 1 0 185.271 1.106 10 30 ADEERO C[C@@H]1CCC[C@H](N(C)/C(N)=[NH+]/O)C1 52834139 343310215 /nfs/dbraw/zinc/31/02/15/343310215.db2.gz ILCKMSRYHQFGPL-SFYZADRCSA-N 1 0 185.271 1.201 10 30 ADEERO C[C@@H]1CCC[C@@H](N(C)/C(N)=[NH+]/O)C1 52834143 343310287 /nfs/dbraw/zinc/31/02/87/343310287.db2.gz ILCKMSRYHQFGPL-HTQZYQBOSA-N 1 0 185.271 1.201 10 30 ADEERO C[C@H]1CCCC[C@H]1CN/C(N)=[NH+]/O 52834035 343310292 /nfs/dbraw/zinc/31/02/92/343310292.db2.gz KSATWJACRYGMHE-YUMQZZPRSA-N 1 0 185.271 1.106 10 30 ADEERO C[C@@H](N/C(N)=[NH+]/O)C1CCCCC1 52833970 343310346 /nfs/dbraw/zinc/31/03/46/343310346.db2.gz JGGAEMWTMQBAHZ-SSDOTTSWSA-N 1 0 185.271 1.249 10 30 ADEERO CCC1CCC(N/C(N)=[NH+]/O)CC1 52834127 343310350 /nfs/dbraw/zinc/31/03/50/343310350.db2.gz ATQLTDMOLPXSOM-UHFFFAOYSA-N 1 0 185.271 1.249 10 30 ADEERO CCC1CCC(N(C)/C(N)=[NH+]/O)CC1 52834683 343310598 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MABDLTQIGVFSLF-UHFFFAOYSA-N 1 0 191.278 1.126 10 30 ADEERO CC(C)([NH3+])C#Cc1ccc(F)cc1 69678635 343432311 /nfs/dbraw/zinc/43/23/11/343432311.db2.gz GBUIZNLLVVHHGX-UHFFFAOYSA-N 1 0 177.222 1.915 10 30 ADEERO C#CC(C)(C)[NH2+][C@@H]1CCCC[C@H]1OC 69679139 343432312 /nfs/dbraw/zinc/43/23/12/343432312.db2.gz RJVRWVVFIYPZKG-GHMZBOCLSA-N 1 0 195.306 1.945 10 30 ADEERO C#CC(C)(C)[NH2+]Cc1cccn1C 69678192 343432314 /nfs/dbraw/zinc/43/23/14/343432314.db2.gz USKGMIQBYRZPKD-UHFFFAOYSA-N 1 0 176.263 1.527 10 30 ADEERO CCCn1ccnc1C#CC(C)(C)[NH3+] 69678836 343432317 /nfs/dbraw/zinc/43/23/17/343432317.db2.gz XQAIGKGIBXZQHM-UHFFFAOYSA-N 1 0 191.278 1.382 10 30 ADEERO COc1ccccc1C#CC(C)(C)[NH3+] 69678601 343432331 /nfs/dbraw/zinc/43/23/31/343432331.db2.gz VFWRGVOBUPCOKI-UHFFFAOYSA-N 1 0 189.258 1.784 10 30 ADEERO C#CC(C)(C)[NH2+]Cc1ccccn1 69678281 343432334 /nfs/dbraw/zinc/43/23/34/343432334.db2.gz MNJGHDZJHPCMEA-UHFFFAOYSA-N 1 0 174.247 1.583 10 30 ADEERO C#CC(C)(C)[NH2+]Cc1ccccc1O 69679004 343432339 /nfs/dbraw/zinc/43/23/39/343432339.db2.gz DGKOVMROTKUXFB-UHFFFAOYSA-N 1 0 189.258 1.894 10 30 ADEERO C#CC(C)(C)[NH2+][C@H]1CCCC[C@@H]1OC 69679137 343432342 /nfs/dbraw/zinc/43/23/42/343432342.db2.gz RJVRWVVFIYPZKG-QWRGUYRKSA-N 1 0 195.306 1.945 10 30 ADEERO C#CC(C)(C)[NH2+][C@H]1CCSC1 69678994 343432347 /nfs/dbraw/zinc/43/23/47/343432347.db2.gz JUGHTGPNHRCFBQ-QMMMGPOBSA-N 1 0 169.293 1.493 10 30 ADEERO C#CC(C)(C)[NH2+]Cc1c[nH]nc1C 69679107 343432358 /nfs/dbraw/zinc/43/23/58/343432358.db2.gz NTFJHYDDVCZREK-UHFFFAOYSA-N 1 0 177.251 1.220 10 30 ADEERO CC(C)([NH3+])C#Cc1cccnc1 69678695 343432383 /nfs/dbraw/zinc/43/23/83/343432383.db2.gz OSIICZYKVCDPKH-UHFFFAOYSA-N 1 0 160.220 1.170 10 30 ADEERO CC(C)([NH3+])C#Cc1cncc(F)c1 69678710 343432384 /nfs/dbraw/zinc/43/23/84/343432384.db2.gz JKVHMUGYFQXZRJ-UHFFFAOYSA-N 1 0 178.210 1.310 10 30 ADEERO C#CC(C)(C)[NH2+][C@@H](C)CC 69678975 343432386 /nfs/dbraw/zinc/43/23/86/343432386.db2.gz HHCAICNOCNPTKA-QMMMGPOBSA-N 1 0 139.242 1.786 10 30 ADEERO C#CC(C)(C)[NH2+]C1CCCC1 69679198 343432388 /nfs/dbraw/zinc/43/23/88/343432388.db2.gz QJBMWZXVDKGJHT-UHFFFAOYSA-N 1 0 151.253 1.930 10 30 ADEERO CCCn1cc(C#CC(C)(C)[NH3+])cn1 69678722 343432392 /nfs/dbraw/zinc/43/23/92/343432392.db2.gz SFQYYHDYKDTAAP-UHFFFAOYSA-N 1 0 191.278 1.382 10 30 ADEERO C#CC(C)(C)[NH2+][C@@H]1CCSC1 69678993 343432396 /nfs/dbraw/zinc/43/23/96/343432396.db2.gz JUGHTGPNHRCFBQ-MRVPVSSYSA-N 1 0 169.293 1.493 10 30 ADEERO C#CC(C)(C)[NH2+]Cc1c(C)n[nH]c1C 69678328 343432406 /nfs/dbraw/zinc/43/24/06/343432406.db2.gz XNSHZBGZTXETCZ-UHFFFAOYSA-N 1 0 191.278 1.528 10 30 ADEERO CC(C)([NH3+])C#Cc1ccoc1 69678803 343432410 /nfs/dbraw/zinc/43/24/10/343432410.db2.gz JDXZLWCHGMXNKS-UHFFFAOYSA-N 1 0 149.193 1.368 10 30 ADEERO C[C@@H]1CC[C@H](N/C(N)=[NH+]/O)[C@H](C)C1 69677970 343432423 /nfs/dbraw/zinc/43/24/23/343432423.db2.gz CEFQLBICMXCWCC-PRJMDXOYSA-N 1 0 185.271 1.105 10 30 ADEERO C[C@@H]1CC[C@@H](N/C(N)=[NH+]/O)[C@H](C)C1 69677977 343432429 /nfs/dbraw/zinc/43/24/29/343432429.db2.gz CEFQLBICMXCWCC-BWZBUEFSSA-N 1 0 185.271 1.105 10 30 ADEERO C#CC(C)(C)[NH2+]C1CCN(C)CC1 69678410 343432443 /nfs/dbraw/zinc/43/24/43/343432443.db2.gz XBZOWQYQNJZYDU-UHFFFAOYSA-N 1 0 180.295 1.082 10 30 ADEERO C#CC(C)(C)[NH2+]C[C@H]1CCCCN1C 69679583 343432616 /nfs/dbraw/zinc/43/26/16/343432616.db2.gz GWXSTMMBPIJTFP-LLVKDONJSA-N 1 0 194.322 1.472 10 30 ADEERO C#CC(C)(C)[NH2+]C1CCOCC1 69679521 343432634 /nfs/dbraw/zinc/43/26/34/343432634.db2.gz UPSITYRAQOWVQN-UHFFFAOYSA-N 1 0 167.252 1.167 10 30 ADEERO C#CC(C)(C)[NH2+]C[C@@H]1CCCCN1C 69679581 343432649 /nfs/dbraw/zinc/43/26/49/343432649.db2.gz GWXSTMMBPIJTFP-NSHDSACASA-N 1 0 194.322 1.472 10 30 ADEERO C#CC(C)(C)[NH2+]C[C@@H]1CCCOC1 69679279 343432675 /nfs/dbraw/zinc/43/26/75/343432675.db2.gz HDPNCQATYNJRDE-JTQLQIEISA-N 1 0 181.279 1.414 10 30 ADEERO C#CC(C)(C)[NH2+]C[C@H]1CCCOC1 69679282 343432761 /nfs/dbraw/zinc/43/27/61/343432761.db2.gz HDPNCQATYNJRDE-SNVBAGLBSA-N 1 0 181.279 1.414 10 30 ADEERO 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/nfs/dbraw/zinc/62/19/29/343621929.db2.gz YYRADGCXHCDETG-SECBINFHSA-N 1 0 184.283 1.551 10 30 ADEERO COC[C@@H](C)[NH2+]CCCC(C)(C)C#N 83640700 343622400 /nfs/dbraw/zinc/62/24/00/343622400.db2.gz ISGHVSWUOBAMGG-SNVBAGLBSA-N 1 0 198.310 1.941 10 30 ADEERO COC[C@H](C)[NH2+]CCCC(C)(C)C#N 83640699 343622495 /nfs/dbraw/zinc/62/24/95/343622495.db2.gz ISGHVSWUOBAMGG-JTQLQIEISA-N 1 0 198.310 1.941 10 30 ADEERO CC(C)C[NH2+]CC1(CC#N)CC1 83853490 343625731 /nfs/dbraw/zinc/62/57/31/343625731.db2.gz AMSNFSZMGUKNCE-UHFFFAOYSA-N 1 0 166.268 1.926 10 30 ADEERO CC[C@H](COC)[NH2+]CC1(CC#N)CC1 83854432 343626066 /nfs/dbraw/zinc/62/60/66/343626066.db2.gz GECUDAQDEQNXIP-SNVBAGLBSA-N 1 0 196.294 1.695 10 30 ADEERO COC[C@H](C)C[NH2+]CC1(CC#N)CC1 83854084 343626209 /nfs/dbraw/zinc/62/62/09/343626209.db2.gz APUKPBJJJGRBSY-SNVBAGLBSA-N 1 0 196.294 1.552 10 30 ADEERO N#CCC1(C[NH2+][C@H]2CCCOC2)CC1 83854334 343626226 /nfs/dbraw/zinc/62/62/26/343626226.db2.gz XJRWIBWTVPSYHA-JTQLQIEISA-N 1 0 194.278 1.449 10 30 ADEERO CC[C@@H](COC)[NH2+]CC1(CC#N)CC1 83854431 343626269 /nfs/dbraw/zinc/62/62/69/343626269.db2.gz GECUDAQDEQNXIP-JTQLQIEISA-N 1 0 196.294 1.695 10 30 ADEERO COC[C@@H](C)C[NH2+]CC1(CC#N)CC1 83854083 343626270 /nfs/dbraw/zinc/62/62/70/343626270.db2.gz APUKPBJJJGRBSY-JTQLQIEISA-N 1 0 196.294 1.552 10 30 ADEERO N#CCC1(C[NH2+][C@@H]2CCCOC2)CC1 83854338 343626401 /nfs/dbraw/zinc/62/64/01/343626401.db2.gz XJRWIBWTVPSYHA-SNVBAGLBSA-N 1 0 194.278 1.449 10 30 ADEERO COCCC[N@H+](C)CC1(CC#N)CC1 83862360 343626833 /nfs/dbraw/zinc/62/68/33/343626833.db2.gz GQFNLMLBHMDXOH-UHFFFAOYSA-N 1 0 196.294 1.649 10 30 ADEERO C#C[C@H](Cc1ccccc1)[NH2+]CC 83945310 343628517 /nfs/dbraw/zinc/62/85/17/343628517.db2.gz BJIKZRDEETUERL-GFCCVEGCSA-N 1 0 173.259 1.840 10 30 ADEERO N#Cc1c(F)cccc1NC1C[NH2+]C1 84416939 343636667 /nfs/dbraw/zinc/63/66/67/343636667.db2.gz YDWNXLKPTYMZKA-UHFFFAOYSA-N 1 0 191.209 1.081 10 30 ADEERO CC[C@H]([NH3+])CNc1ccnc(C#N)c1 84718400 343637890 /nfs/dbraw/zinc/63/78/90/343637890.db2.gz DHOHLSYVOIBZHJ-QMMMGPOBSA-N 1 0 190.250 1.102 10 30 ADEERO N#Cc1ccc(NC2C[NH2+]C2)c(F)c1 85256755 343642072 /nfs/dbraw/zinc/64/20/72/343642072.db2.gz YPXUPNSMJXRPTA-UHFFFAOYSA-N 1 0 191.209 1.081 10 30 ADEERO N#CCCCC[N@@H+]1C[C@@H]2CC[C@H](C1)O2 85540365 343645028 /nfs/dbraw/zinc/64/50/28/343645028.db2.gz WVDCKVOYSLFELS-PHIMTYICSA-N 1 0 194.278 1.543 10 30 ADEERO C[C@H](CC#N)N(C)C[C@@H]1CCC[N@@H+]1C 86188569 343649657 /nfs/dbraw/zinc/64/96/57/343649657.db2.gz FSGSYAOMHLSKPP-MNOVXSKESA-N 1 0 195.310 1.315 10 30 ADEERO C[C@H](C#N)CN(C)C[C@@H]1CCC[N@@H+]1C 86188565 343649681 /nfs/dbraw/zinc/64/96/81/343649681.db2.gz GVNJUKXIAKPHEN-MNOVXSKESA-N 1 0 195.310 1.172 10 30 ADEERO C[C@@H](C#N)CN(C)C[C@@H]1CCC[N@@H+]1C 86188566 343649691 /nfs/dbraw/zinc/64/96/91/343649691.db2.gz GVNJUKXIAKPHEN-QWRGUYRKSA-N 1 0 195.310 1.172 10 30 ADEERO C[C@@H](CC#N)N(C)C[C@@H]1CCC[N@@H+]1C 86188568 343649886 /nfs/dbraw/zinc/64/98/86/343649886.db2.gz FSGSYAOMHLSKPP-QWRGUYRKSA-N 1 0 195.310 1.315 10 30 ADEERO C[NH+](C)CC(C)(C)CC=O 86862955 343656398 /nfs/dbraw/zinc/65/63/98/343656398.db2.gz QDYXOFCROOIFCI-UHFFFAOYSA-N 1 0 143.230 1.163 10 30 ADEERO CC1(C[NH2+][C@@H]2CCC[C@H]2C#N)COC1 87197647 343658354 /nfs/dbraw/zinc/65/83/54/343658354.db2.gz JYWPSBOGNYOIOW-VHSXEESVSA-N 1 0 194.278 1.305 10 30 ADEERO CC1(C[NH2+][C@H]2CCC[C@@H]2C#N)COC1 87197645 343658378 /nfs/dbraw/zinc/65/83/78/343658378.db2.gz JYWPSBOGNYOIOW-ZJUUUORDSA-N 1 0 194.278 1.305 10 30 ADEERO CC1(C[NH2+][C@@H]2CCC[C@@H]2C#N)COC1 87197643 343658401 /nfs/dbraw/zinc/65/84/01/343658401.db2.gz JYWPSBOGNYOIOW-NXEZZACHSA-N 1 0 194.278 1.305 10 30 ADEERO CC1(C[NH2+][C@H]2CCC[C@H]2C#N)COC1 87197649 343658414 /nfs/dbraw/zinc/65/84/14/343658414.db2.gz JYWPSBOGNYOIOW-UWVGGRQHSA-N 1 0 194.278 1.305 10 30 ADEERO CC1(C[NH2+]CC2(CC#N)CC2)COC1 87197586 343658442 /nfs/dbraw/zinc/65/84/42/343658442.db2.gz AQWAEDOWTLSQTR-UHFFFAOYSA-N 1 0 194.278 1.306 10 30 ADEERO CC[NH+](CC)CCn1ccnc1C#N 87343065 343660319 /nfs/dbraw/zinc/66/03/19/343660319.db2.gz ZYZRGECMHDNAFB-UHFFFAOYSA-N 1 0 192.266 1.097 10 30 ADEERO C[N@H+](CCCC#N)CCOCC1CC1 87399679 343660511 /nfs/dbraw/zinc/66/05/11/343660511.db2.gz HXCDZHOBFIGOOT-UHFFFAOYSA-N 1 0 196.294 1.649 10 30 ADEERO C=C(CC)C[N@@H+]1CC[C@H](C(=O)OC)C1 87417012 343660811 /nfs/dbraw/zinc/66/08/11/343660811.db2.gz XXIPGIAPTUYGGJ-JTQLQIEISA-N 1 0 197.278 1.448 10 30 ADEERO C[NH+](C)CCSCCCCC#N 87416919 343660866 /nfs/dbraw/zinc/66/08/66/343660866.db2.gz HXBLPDYHJKVNRN-UHFFFAOYSA-N 1 0 186.324 1.975 10 30 ADEERO N#C[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCOC1 87786271 343664313 /nfs/dbraw/zinc/66/43/13/343664313.db2.gz HIRDIMNEVRVMNE-AXFHLTTASA-N 1 0 194.278 1.447 10 30 ADEERO N#C[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCOC1 87786273 343664363 /nfs/dbraw/zinc/66/43/63/343664363.db2.gz HIRDIMNEVRVMNE-HBNTYKKESA-N 1 0 194.278 1.447 10 30 ADEERO CCOCC[N@H+](C)CC1(CC#N)CC1 87977651 343666229 /nfs/dbraw/zinc/66/62/29/343666229.db2.gz AXLSDBQRRQBJPB-UHFFFAOYSA-N 1 0 196.294 1.649 10 30 ADEERO N#CCCCC[NH2+]Cc1ccon1 88053988 343667066 /nfs/dbraw/zinc/66/70/66/343667066.db2.gz CHEDAHZVUFHPCS-UHFFFAOYSA-N 1 0 179.223 1.458 10 30 ADEERO Cc1cc(C#N)ccc1C[NH3+] 88189508 343668983 /nfs/dbraw/zinc/66/89/83/343668983.db2.gz DKBJGPSCFZLPEW-UHFFFAOYSA-N 1 0 146.193 1.325 10 30 in-vitro ADEERO C=C(C)C[N@H+]1CC[C@@H](C(=O)OC)C1 88300453 343670412 /nfs/dbraw/zinc/67/04/12/343670412.db2.gz HDRNLHOLQOPLCS-SECBINFHSA-N 1 0 183.251 1.057 10 30 ADEERO C=C(C)C[N@H+]1CC[C@H](C(=O)OC)C1 88300451 343670451 /nfs/dbraw/zinc/67/04/51/343670451.db2.gz HDRNLHOLQOPLCS-VIFPVBQESA-N 1 0 183.251 1.057 10 30 ADEERO C[NH+](C)CC#Cc1cccc(F)c1 95632447 343684892 /nfs/dbraw/zinc/68/48/92/343684892.db2.gz XQWUSQJCFBDMPB-UHFFFAOYSA-N 1 0 177.222 1.739 10 30 ADEERO Cc1ccc(C#CC[NH+](C)C)cc1 95633791 343685068 /nfs/dbraw/zinc/68/50/68/343685068.db2.gz GWQVGZHEZWJNBX-UHFFFAOYSA-N 1 0 173.259 1.908 10 30 ADEERO CN(C)/C=[NH+]\C(C)(C)C 95862944 343688821 /nfs/dbraw/zinc/68/88/21/343688821.db2.gz PHNRCFCIKPZSFS-VURMDHGXSA-N 1 0 128.219 1.375 10 30 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343971915 /nfs/dbraw/zinc/97/19/15/343971915.db2.gz WOESBSPGBDRCEQ-UHFFFAOYSA-N 1 0 191.234 1.069 10 30 ADEERO CC(=O)/C=C1\CC[N@@H+](C)C[C@H]1C 136264125 343978596 /nfs/dbraw/zinc/97/85/96/343978596.db2.gz CCDMGECNNJCXRK-VSBFRKNKSA-N 1 0 167.252 1.473 10 30 ADEERO CC[N+](=O)Cc1ccccc1 136360367 343980147 /nfs/dbraw/zinc/98/01/47/343980147.db2.gz CANUCYHLTVBHJK-SGAXSIHGSA-N 1 0 149.193 1.788 10 30 ADEERO CC[C@@H]1CC[C@@H](C)[N@@H+]1C[C@](C)(N)C#N 136473810 343980982 /nfs/dbraw/zinc/98/09/82/343980982.db2.gz UNDRLNVLSGAELO-GMTAPVOTSA-N 1 0 195.310 1.490 10 30 ADEERO CC[C@@H]1CC[C@H](C)[N@@H+]1C[C@](C)(N)C#N 136473749 343981169 /nfs/dbraw/zinc/98/11/69/343981169.db2.gz UNDRLNVLSGAELO-HBNTYKKESA-N 1 0 195.310 1.490 10 30 ADEERO O=C1C=CC(=C2C=CC=C[NH2+]2)C=C1 136800248 343982243 /nfs/dbraw/zinc/98/22/43/343982243.db2.gz LHJHZWLEIFOLTD-UHFFFAOYSA-N 1 0 171.199 1.609 10 30 ADEERO CC(=O)C=C1CC[NH+](C)CC1 136851760 343982383 /nfs/dbraw/zinc/98/23/83/343982383.db2.gz VFJRGOIKHWGFAN-UHFFFAOYSA-N 1 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174.247 1.592 10 30 ADEERO C#C[C@H]([NH2+]C)c1ccc(C)nc1 163763509 344228843 /nfs/dbraw/zinc/22/88/43/344228843.db2.gz KQESHVOZPMBLGY-JTQLQIEISA-N 1 0 160.220 1.284 10 30 ADEERO C#CCCC[C@]1(F)CC[NH2+]C1 163744285 344228859 /nfs/dbraw/zinc/22/88/59/344228859.db2.gz OSNNBERZRPJVEF-VIFPVBQESA-N 1 0 155.216 1.492 10 30 ADEERO C#C[C@@H]([NH3+])CC1CCSCC1 163743376 344228911 /nfs/dbraw/zinc/22/89/11/344228911.db2.gz BORUTRSWARPDHI-SECBINFHSA-N 1 0 169.293 1.480 10 30 ADEERO C#C[C@H]([NH2+]CC)[C@H]1CCSC1 163747545 344228921 /nfs/dbraw/zinc/22/89/21/344228921.db2.gz QCCDXJRFVMMZBS-IUCAKERBSA-N 1 0 169.293 1.351 10 30 ADEERO C#CCCC[C@]1(F)CCC[NH2+]C1 163743395 344228987 /nfs/dbraw/zinc/22/89/87/344228987.db2.gz NNLMMPLIAQWYCM-JTQLQIEISA-N 1 0 169.243 1.882 10 30 ADEERO C#C[C@H]([NH3+])[C@@H]1CSc2ccccc21 163754453 344229012 /nfs/dbraw/zinc/22/90/12/344229012.db2.gz FDOMTKUWWBPEFR-ZJUUUORDSA-N 1 0 189.283 1.836 10 30 ADEERO C#C[C@@H]([NH3+])[C@@H]1CSc2ccccc21 163754564 344229028 /nfs/dbraw/zinc/22/90/28/344229028.db2.gz FDOMTKUWWBPEFR-NXEZZACHSA-N 1 0 189.283 1.836 10 30 ADEERO C#C[C@H]([NH3+])CC1CCSCC1 163743264 344229049 /nfs/dbraw/zinc/22/90/49/344229049.db2.gz BORUTRSWARPDHI-VIFPVBQESA-N 1 0 169.293 1.480 10 30 ADEERO C#C[C@H]([NH2+]CC)c1ccc(C)nc1 163756416 344229057 /nfs/dbraw/zinc/22/90/57/344229057.db2.gz BPXUTEZJINUXMH-NSHDSACASA-N 1 0 174.247 1.674 10 30 ADEERO C#CCCC[C@](C)(F)C[NH3+] 163745573 344229066 /nfs/dbraw/zinc/22/90/66/344229066.db2.gz QGFZMLHZJQBMKL-QMMMGPOBSA-N 1 0 143.205 1.477 10 30 ADEERO C#C[C@H]([NH2+]CC)[C@@H]1CCSC1 163747287 344229079 /nfs/dbraw/zinc/22/90/79/344229079.db2.gz QCCDXJRFVMMZBS-BDAKNGLRSA-N 1 0 169.293 1.351 10 30 ADEERO C#CCCC[C@@]1(F)CC[NH2+]C1 163744421 344229093 /nfs/dbraw/zinc/22/90/93/344229093.db2.gz OSNNBERZRPJVEF-SECBINFHSA-N 1 0 155.216 1.492 10 30 ADEERO C#C[C@@H]([NH2+]C)c1ccc(C)nc1 163763411 344229116 /nfs/dbraw/zinc/22/91/16/344229116.db2.gz KQESHVOZPMBLGY-SNVBAGLBSA-N 1 0 160.220 1.284 10 30 ADEERO C#C[C@@H]([NH2+]C)c1cccc(N(C)C)c1 163744354 344229144 /nfs/dbraw/zinc/22/91/44/344229144.db2.gz RQCCAONDULQDQP-GFCCVEGCSA-N 1 0 188.274 1.646 10 30 ADEERO C#CCCC[C@@](C)(F)C[NH3+] 163745444 344229169 /nfs/dbraw/zinc/22/91/69/344229169.db2.gz QGFZMLHZJQBMKL-MRVPVSSYSA-N 1 0 143.205 1.477 10 30 ADEERO C#CCCCC1(F)CC([NH3+])C1 163744151 344229174 /nfs/dbraw/zinc/22/91/74/344229174.db2.gz HLVZPKPTRLXMAK-UHFFFAOYSA-N 1 0 155.216 1.619 10 30 ADEERO C#C[C@@H]([NH3+])[C@H]1CSc2ccccc21 163754804 344229176 /nfs/dbraw/zinc/22/91/76/344229176.db2.gz FDOMTKUWWBPEFR-VHSXEESVSA-N 1 0 189.283 1.836 10 30 ADEERO C#C[C@@H]([NH3+])c1cccc2cccnc12 163754070 344229191 /nfs/dbraw/zinc/22/91/91/344229191.db2.gz HNEJLGDLVVOTIB-LLVKDONJSA-N 1 0 182.226 1.868 10 30 ADEERO C#CCCCC1(F)C[NH2+]C1 163743747 344229196 /nfs/dbraw/zinc/22/91/96/344229196.db2.gz YRRGPRUXLWSVOH-UHFFFAOYSA-N 1 0 141.189 1.101 10 30 ADEERO C#CCCC[C@@]1(F)CCC[NH2+]C1 163743497 344229205 /nfs/dbraw/zinc/22/92/05/344229205.db2.gz 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C#C[C@@H]([NH2+]CC)[C@@H]1CCSC1 163747415 344229278 /nfs/dbraw/zinc/22/92/78/344229278.db2.gz QCCDXJRFVMMZBS-RKDXNWHRSA-N 1 0 169.293 1.351 10 30 ADEERO C#C[C@H]([NH3+])Cc1ccsc1 163752947 344229281 /nfs/dbraw/zinc/22/92/81/344229281.db2.gz RYZGIIYBPHHKJZ-QMMMGPOBSA-N 1 0 151.234 1.251 10 30 ADEERO C#C[C@@H]([NH3+])c1ccc(C)nc1 163782945 344229493 /nfs/dbraw/zinc/22/94/93/344229493.db2.gz MLXBYFSCRVRUKR-SECBINFHSA-N 1 0 146.193 1.023 10 30 ADEERO C#C[C@@H]([NH3+])C1CCC(F)(F)CC1 163771835 344229504 /nfs/dbraw/zinc/22/95/04/344229504.db2.gz WCMGJVGPSBHGMQ-MRVPVSSYSA-N 1 0 173.206 1.772 10 30 ADEERO C#C[C@@H]([NH2+]CC)c1scnc1C 163766303 344229506 /nfs/dbraw/zinc/22/95/06/344229506.db2.gz KYLIHIXVAQSZGL-MRVPVSSYSA-N 1 0 180.276 1.735 10 30 ADEERO C#C[C@@H]([NH2+]C)c1cncc(F)c1 163776779 344229517 /nfs/dbraw/zinc/22/95/17/344229517.db2.gz VIORCXYFNPFSSE-SECBINFHSA-N 1 0 164.183 1.114 10 30 ADEERO C#C[C@H]([NH2+]C)[C@]1(C)CCCS1 163765212 344229524 /nfs/dbraw/zinc/22/95/24/344229524.db2.gz 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163764880 344229679 /nfs/dbraw/zinc/22/96/79/344229679.db2.gz ZKEFDYCXSLETJV-RKDXNWHRSA-N 1 0 169.293 1.493 10 30 ADEERO C#C[C@@H]([NH2+]C)c1cncc(C)c1 163775693 344229693 /nfs/dbraw/zinc/22/96/93/344229693.db2.gz QPQDGWJJXHQBJY-SNVBAGLBSA-N 1 0 160.220 1.284 10 30 ADEERO C#C[C@@H]([NH2+]C)[C@]1(C)CCCS1 163764995 344229708 /nfs/dbraw/zinc/22/97/08/344229708.db2.gz ZKEFDYCXSLETJV-BDAKNGLRSA-N 1 0 169.293 1.493 10 30 ADEERO C#C[C@H]([NH3+])c1cncc(C)c1 163770958 344229722 /nfs/dbraw/zinc/22/97/22/344229722.db2.gz UYKBLOBQXBILKB-VIFPVBQESA-N 1 0 146.193 1.023 10 30 ADEERO C#C[C@H]([NH2+]CC)c1scnc1C 163766215 344229738 /nfs/dbraw/zinc/22/97/38/344229738.db2.gz KYLIHIXVAQSZGL-QMMMGPOBSA-N 1 0 180.276 1.735 10 30 ADEERO C#C[C@H]([NH2+]C)c1cncc(F)c1 163776664 344229844 /nfs/dbraw/zinc/22/98/44/344229844.db2.gz VIORCXYFNPFSSE-VIFPVBQESA-N 1 0 164.183 1.114 10 30 ADEERO C#C[C@@H]([NH2+]C)c1scnc1C 163786347 344230203 /nfs/dbraw/zinc/23/02/03/344230203.db2.gz SHXWLMXHVLQCMU-SSDOTTSWSA-N 1 0 166.249 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PKMSDEVUIOEBDB-LURJTMIESA-N 1 0 154.238 1.637 10 30 ADEERO C=C[C@@H]([NH2+]C)c1cccnc1C 163857117 344231813 /nfs/dbraw/zinc/23/18/13/344231813.db2.gz XWHVGYXKDVBLAD-SNVBAGLBSA-N 1 0 162.236 1.837 10 30 ADEERO C=C[C@H]([NH2+]C)[C@@H]1CCSC1 163888729 344232113 /nfs/dbraw/zinc/23/21/13/344232113.db2.gz HHDBIWJJZZQKGK-SFYZADRCSA-N 1 0 157.282 1.514 10 30 ADEERO C=C[C@@H]([NH3+])Cc1ccsc1 163886431 344232135 /nfs/dbraw/zinc/23/21/35/344232135.db2.gz GBGZXDKEINEQLK-MRVPVSSYSA-N 1 0 153.250 1.804 10 30 ADEERO C=C[C@@H]([NH2+]C)[C@H]1CCSC1 163889054 344232158 /nfs/dbraw/zinc/23/21/58/344232158.db2.gz HHDBIWJJZZQKGK-JGVFFNPUSA-N 1 0 157.282 1.514 10 30 ADEERO C=C[C@H]([NH3+])c1c(C)nn(C)c1C 163886210 344232198 /nfs/dbraw/zinc/23/21/98/344232198.db2.gz LNOMSJXJWFEQEJ-QMMMGPOBSA-N 1 0 165.240 1.223 10 30 ADEERO C=C[C@H]([NH2+]C)c1snnc1C 163878761 344232220 /nfs/dbraw/zinc/23/22/20/344232220.db2.gz CZRCBPHWCCGHET-LURJTMIESA-N 1 0 169.253 1.293 10 30 ADEERO C=C[C@@H]([NH2+]C)c1snnc1C 163878649 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1.785 10 30 ADEERO C=C[C@@H]([NH3+])[C@@]1(C)CCCS1 163877322 344232405 /nfs/dbraw/zinc/23/24/05/344232405.db2.gz CHGXWOVWCFUPMY-HTQZYQBOSA-N 1 0 157.282 1.785 10 30 ADEERO C=C[C@@H]([NH2+]C)[C@@H]1CCSC1 163888833 344232439 /nfs/dbraw/zinc/23/24/39/344232439.db2.gz HHDBIWJJZZQKGK-HTQZYQBOSA-N 1 0 157.282 1.514 10 30 ADEERO C=C[C@H]([NH3+])[C@@H]1CCSC1 163902178 344232583 /nfs/dbraw/zinc/23/25/83/344232583.db2.gz HPOZGLZDOPWQCE-RQJHMYQMSA-N 1 0 143.255 1.253 10 30 ADEERO C=C[C@@H]([NH3+])c1cc(C)nn1CC 163894375 344232591 /nfs/dbraw/zinc/23/25/91/344232591.db2.gz HGGWZKHWQMXILT-MRVPVSSYSA-N 1 0 165.240 1.397 10 30 ADEERO C=C[C@@H]([NH2+]C)c1ccc(C)nc1 163895317 344232603 /nfs/dbraw/zinc/23/26/03/344232603.db2.gz VYCLPXDKZRRZMH-SNVBAGLBSA-N 1 0 162.236 1.837 10 30 ADEERO C=C[C@H]([NH3+])c1cc(C)nnc1C 163895201 344232608 /nfs/dbraw/zinc/23/26/08/344232608.db2.gz DCLKIWYHTKEBMF-VIFPVBQESA-N 1 0 163.224 1.279 10 30 ADEERO C=C[C@H]([NH3+])[C@H]1CCSC1 163902390 344232628 /nfs/dbraw/zinc/23/26/28/344232628.db2.gz HPOZGLZDOPWQCE-BQBZGAKWSA-N 1 0 143.255 1.253 10 30 ADEERO C=C[C@@H]([NH3+])[C@H]1CCSC1 163902499 344232670 /nfs/dbraw/zinc/23/26/70/344232670.db2.gz HPOZGLZDOPWQCE-NKWVEPMBSA-N 1 0 143.255 1.253 10 30 ADEERO C=C[C@H]([NH2+]C)c1ccc(C)nc1 163895425 344232673 /nfs/dbraw/zinc/23/26/73/344232673.db2.gz VYCLPXDKZRRZMH-JTQLQIEISA-N 1 0 162.236 1.837 10 30 ADEERO C=C[C@H]([NH3+])Cc1c(C)nn(C)c1C 163901794 344232692 /nfs/dbraw/zinc/23/26/92/344232692.db2.gz NARZNKYQNQERDT-VIFPVBQESA-N 1 0 179.267 1.093 10 30 ADEERO C=C[C@@H]([NH3+])Cc1c(C)nn(C)c1C 163901679 344232723 /nfs/dbraw/zinc/23/27/23/344232723.db2.gz NARZNKYQNQERDT-SECBINFHSA-N 1 0 179.267 1.093 10 30 ADEERO C=C[C@@H]([NH3+])[C@@H]1CCSC1 163902281 344232731 /nfs/dbraw/zinc/23/27/31/344232731.db2.gz HPOZGLZDOPWQCE-RNFRBKRXSA-N 1 0 143.255 1.253 10 30 ADEERO C=C[C@@H](CCSC)[NH2+]C 163905718 344232741 /nfs/dbraw/zinc/23/27/41/344232741.db2.gz DGPOTDWGUPULNJ-ZETCQYMHSA-N 1 0 145.271 1.514 10 30 ADEERO CC#CCNC1CC[NH+](C(C)C)CC1 163897940 344232749 /nfs/dbraw/zinc/23/27/49/344232749.db2.gz HHDSNSIAILTPND-UHFFFAOYSA-N 1 0 194.322 1.472 10 30 ADEERO C=C[C@H]([NH2+]C)c1cc(C)nn1C 163907040 344232757 /nfs/dbraw/zinc/23/27/57/344232757.db2.gz ICISKOAPRSLHQF-QMMMGPOBSA-N 1 0 165.240 1.175 10 30 ADEERO C=C[C@H]([NH2+]C)c1cncc(F)c1 163908118 344232762 /nfs/dbraw/zinc/23/27/62/344232762.db2.gz FCLIRKIKNSTBPM-VIFPVBQESA-N 1 0 166.199 1.667 10 30 ADEERO C=C[C@H](CCSC)[NH2+]C 163905612 344232792 /nfs/dbraw/zinc/23/27/92/344232792.db2.gz DGPOTDWGUPULNJ-SSDOTTSWSA-N 1 0 145.271 1.514 10 30 ADEERO C=C[C@@H]([NH3+])c1cc(C)nnc1C 163895087 344232818 /nfs/dbraw/zinc/23/28/18/344232818.db2.gz DCLKIWYHTKEBMF-SECBINFHSA-N 1 0 163.224 1.279 10 30 ADEERO C=C[C@H]([NH3+])c1cc(C)nn1CC 163894503 344232850 /nfs/dbraw/zinc/23/28/50/344232850.db2.gz HGGWZKHWQMXILT-QMMMGPOBSA-N 1 0 165.240 1.397 10 30 ADEERO C=C[C@@H]([NH2+]C)c1cc(C)nn1C 163906926 344232856 /nfs/dbraw/zinc/23/28/56/344232856.db2.gz ICISKOAPRSLHQF-MRVPVSSYSA-N 1 0 165.240 1.175 10 30 ADEERO C=C[C@@H]([NH2+]C)c1cncc(F)c1 163908203 344232965 /nfs/dbraw/zinc/23/29/65/344232965.db2.gz FCLIRKIKNSTBPM-SECBINFHSA-N 1 0 166.199 1.667 10 30 ADEERO CC#CCC[C@@H]([NH3+])C1CC1 163916937 344233245 /nfs/dbraw/zinc/23/32/45/344233245.db2.gz ZLZHLJZRBNWGQX-SECBINFHSA-N 1 0 137.226 1.527 10 30 ADEERO CC#CCC[C@H]([NH3+])C1CC1 163916824 344233384 /nfs/dbraw/zinc/23/33/84/344233384.db2.gz ZLZHLJZRBNWGQX-VIFPVBQESA-N 1 0 137.226 1.527 10 30 ADEERO C=C[C@H]([NH2+]C)c1scnc1C 163913547 344233399 /nfs/dbraw/zinc/23/33/99/344233399.db2.gz CAUMCDWBMGRPLK-ZETCQYMHSA-N 1 0 168.265 1.898 10 30 ADEERO C=C[C@@H]([NH2+]C)c1scnc1C 163913442 344233415 /nfs/dbraw/zinc/23/34/15/344233415.db2.gz CAUMCDWBMGRPLK-SSDOTTSWSA-N 1 0 168.265 1.898 10 30 ADEERO C#CC[C@H]([NH3+])c1occc1C 163915810 344233425 /nfs/dbraw/zinc/23/34/25/344233425.db2.gz VANXEUBILXZBSC-QMMMGPOBSA-N 1 0 149.193 1.611 10 30 ADEERO C#CCCCC(C)(C)[NH3+] 165887238 344271924 /nfs/dbraw/zinc/27/19/24/344271924.db2.gz ZLLNMXWLNFTODK-UHFFFAOYSA-N 1 0 125.215 1.527 10 30 ADEERO CO[C@H](C)C(NC1CCCCC1)=[NH+]N 163929627 344233639 /nfs/dbraw/zinc/23/36/39/344233639.db2.gz MYVGDMXEDHJUCH-MRVPVSSYSA-N 1 0 199.298 1.216 10 30 ADEERO C=C(C)C[C@@H]([NH3+])c1csnn1 163962182 344233693 /nfs/dbraw/zinc/23/36/93/344233693.db2.gz SRQVIOVJRPDXJY-ZCFIWIBFSA-N 1 0 169.253 1.504 10 30 ADEERO CO[C@@H](C)C(NC1CCCCC1)=[NH+]N 163929516 344233741 /nfs/dbraw/zinc/23/37/41/344233741.db2.gz MYVGDMXEDHJUCH-QMMMGPOBSA-N 1 0 199.298 1.216 10 30 ADEERO C=C(C)C[C@H]([NH3+])c1csnn1 163962057 344233924 /nfs/dbraw/zinc/23/39/24/344233924.db2.gz SRQVIOVJRPDXJY-LURJTMIESA-N 1 0 169.253 1.504 10 30 ADEERO C#CC[C@@H]([NH2+]C)c1occc1C 163940947 344233992 /nfs/dbraw/zinc/23/39/92/344233992.db2.gz WSRVQWOGNCMHEP-SECBINFHSA-N 1 0 163.220 1.872 10 30 ADEERO C#CC[C@H]([NH2+]C)c1occc1C 163941048 344234054 /nfs/dbraw/zinc/23/40/54/344234054.db2.gz WSRVQWOGNCMHEP-VIFPVBQESA-N 1 0 163.220 1.872 10 30 ADEERO CC#CCC[C@H]([NH3+])[C@H]1C[C@@H]1C 163969325 344234210 /nfs/dbraw/zinc/23/42/10/344234210.db2.gz ATPSOZQLLKTKKV-GUBZILKMSA-N 1 0 151.253 1.773 10 30 ADEERO CC#CCC[NH2+][C@H]1CN2CCC1CC2 163968364 344234233 /nfs/dbraw/zinc/23/42/33/344234233.db2.gz USQPMYBGQHYKBP-LBPRGKRZSA-N 1 0 192.306 1.084 10 30 ADEERO C=C(C)C[C@H]([NH3+])c1ccnnc1 163976429 344234291 /nfs/dbraw/zinc/23/42/91/344234291.db2.gz LJIZETAJKILOLN-VIFPVBQESA-N 1 0 163.224 1.443 10 30 ADEERO CC#CCC[C@H]([NH3+])[C@@H]1C[C@@H]1C 163969139 344234299 /nfs/dbraw/zinc/23/42/99/344234299.db2.gz ATPSOZQLLKTKKV-AEJSXWLSSA-N 1 0 151.253 1.773 10 30 ADEERO C=C(C)C[C@@H]([NH3+])c1cnns1 163986762 344234385 /nfs/dbraw/zinc/23/43/85/344234385.db2.gz RHWCZQDMTUFBAG-ZCFIWIBFSA-N 1 0 169.253 1.504 10 30 ADEERO C=C(C)C[C@H]([NH3+])c1cnns1 163986661 344234447 /nfs/dbraw/zinc/23/44/47/344234447.db2.gz RHWCZQDMTUFBAG-LURJTMIESA-N 1 0 169.253 1.504 10 30 ADEERO CC#CCC[NH2+][C@@H]1CN2CCC1CC2 163968253 344234490 /nfs/dbraw/zinc/23/44/90/344234490.db2.gz USQPMYBGQHYKBP-GFCCVEGCSA-N 1 0 192.306 1.084 10 30 ADEERO C=C(C)C[C@@H]([NH3+])c1cnsn1 163983410 344234576 /nfs/dbraw/zinc/23/45/76/344234576.db2.gz KWDMRJBGPIRHQB-ZCFIWIBFSA-N 1 0 169.253 1.504 10 30 ADEERO C=C(C)[C@H]([NH2+]C)c1cnns1 164132263 344237352 /nfs/dbraw/zinc/23/73/52/344237352.db2.gz WSVCWZMLAUHNPH-ZETCQYMHSA-N 1 0 169.253 1.375 10 30 ADEERO C=C(C)C[C@@H]([NH3+])c1ccnnc1 163976547 344234581 /nfs/dbraw/zinc/23/45/81/344234581.db2.gz LJIZETAJKILOLN-SECBINFHSA-N 1 0 163.224 1.443 10 30 ADEERO C=C(C)C[C@H]([NH3+])c1cnsn1 163983308 344234598 /nfs/dbraw/zinc/23/45/98/344234598.db2.gz KWDMRJBGPIRHQB-LURJTMIESA-N 1 0 169.253 1.504 10 30 ADEERO CC#CC[NH2+][C@H]1CCCSC1 163997878 344235125 /nfs/dbraw/zinc/23/51/25/344235125.db2.gz GSVWJABRWDHSMI-VIFPVBQESA-N 1 0 169.293 1.495 10 30 ADEERO C[C@@H]([NH3+])CC(=O)c1ccc(C#N)cc1 164031221 344235210 /nfs/dbraw/zinc/23/52/10/344235210.db2.gz SBCRBXGWCURHFE-MRVPVSSYSA-N 1 0 188.230 1.478 10 30 ADEERO C#CC[C@@H](C)Nc1cccc(N)[nH+]1 164042390 344235301 /nfs/dbraw/zinc/23/53/01/344235301.db2.gz IVHMAOZPBBDDKQ-MRVPVSSYSA-N 1 0 175.235 1.488 10 30 ADEERO C[C@H]([NH3+])CC(=O)c1ccc(C#N)cc1 164031111 344235374 /nfs/dbraw/zinc/23/53/74/344235374.db2.gz SBCRBXGWCURHFE-QMMMGPOBSA-N 1 0 188.230 1.478 10 30 ADEERO C#CC[C@H](C)Nc1cccc(N)[nH+]1 164042300 344235407 /nfs/dbraw/zinc/23/54/07/344235407.db2.gz IVHMAOZPBBDDKQ-QMMMGPOBSA-N 1 0 175.235 1.488 10 30 ADEERO C#C[C@H](C)[NH2+][C@H]1CCC[C@H]1C 164055318 344235732 /nfs/dbraw/zinc/23/57/32/344235732.db2.gz HHDWDQKELAFGTO-UTLUCORTSA-N 1 0 151.253 1.786 10 30 ADEERO C[C@H]([NH3+])CC(=O)c1cccc(C#N)c1 164044881 344235830 /nfs/dbraw/zinc/23/58/30/344235830.db2.gz FIEFGGINBKPPCZ-QMMMGPOBSA-N 1 0 188.230 1.478 10 30 ADEERO C#C[C@H](C)[NH2+][C@@H]1CCC[C@H]1C 164055563 344235871 /nfs/dbraw/zinc/23/58/71/344235871.db2.gz HHDWDQKELAFGTO-KXUCPTDWSA-N 1 0 151.253 1.786 10 30 ADEERO C[C@@H]([NH3+])CC(=O)c1cccc(C#N)c1 164044978 344235957 /nfs/dbraw/zinc/23/59/57/344235957.db2.gz FIEFGGINBKPPCZ-MRVPVSSYSA-N 1 0 188.230 1.478 10 30 ADEERO C[C@H](/C(NC(C)(C)C)=[NH+]\N)C1CC1 164065407 344236216 /nfs/dbraw/zinc/23/62/16/344236216.db2.gz RHGZCJBAZQFSJY-ZETCQYMHSA-N 1 0 183.299 1.693 10 30 ADEERO C=C(C)[C@H]([NH3+])c1csnn1 164076374 344236306 /nfs/dbraw/zinc/23/63/06/344236306.db2.gz JEGMPXPAUHCUIK-LURJTMIESA-N 1 0 155.226 1.114 10 30 ADEERO C=C(C)[C@@H]([NH3+])c1csnn1 164076483 344236466 /nfs/dbraw/zinc/23/64/66/344236466.db2.gz JEGMPXPAUHCUIK-ZCFIWIBFSA-N 1 0 155.226 1.114 10 30 ADEERO C=C(C)[C@@H]([NH3+])c1ccnnc1 164094858 344236892 /nfs/dbraw/zinc/23/68/92/344236892.db2.gz CHACXTHVYWIGRU-MRVPVSSYSA-N 1 0 149.197 1.053 10 30 ADEERO C=C(C)[C@@H]([NH3+])c1cnsn1 164103428 344236916 /nfs/dbraw/zinc/23/69/16/344236916.db2.gz UUKUYMRIYYZZSD-ZCFIWIBFSA-N 1 0 155.226 1.114 10 30 ADEERO C=C(C)[C@@H]([NH3+])c1cc(C)nn1C 164109241 344236929 /nfs/dbraw/zinc/23/69/29/344236929.db2.gz JTPHFCYTRZCHPL-SECBINFHSA-N 1 0 165.240 1.304 10 30 ADEERO C=C(C)[C@H]([NH3+])c1cnn(C)c1C 164108395 344236960 /nfs/dbraw/zinc/23/69/60/344236960.db2.gz CSFXVENRDVWYBS-VIFPVBQESA-N 1 0 165.240 1.304 10 30 ADEERO C=C(C)[C@H]([NH3+])c1ccnnc1 164094730 344236999 /nfs/dbraw/zinc/23/69/99/344236999.db2.gz CHACXTHVYWIGRU-QMMMGPOBSA-N 1 0 149.197 1.053 10 30 ADEERO C=C(C)[C@@H]([NH2+]C)[C@@H]1CCSC1 164104869 344237015 /nfs/dbraw/zinc/23/70/15/344237015.db2.gz YNMVVCLVRUETOE-RKDXNWHRSA-N 1 0 171.309 1.904 10 30 ADEERO C=C(C)[C@@H]([NH3+])c1c(C)nn(C)c1C 164101868 344237020 /nfs/dbraw/zinc/23/70/20/344237020.db2.gz GMKVVZFTATWMIX-SNVBAGLBSA-N 1 0 179.267 1.613 10 30 ADEERO C=C(C)[C@@H]([NH2+]C)[C@H]1CCSC1 164105079 344237022 /nfs/dbraw/zinc/23/70/22/344237022.db2.gz YNMVVCLVRUETOE-DTWKUNHWSA-N 1 0 171.309 1.904 10 30 ADEERO C=C(C)[C@H]([NH3+])c1c(C)nn(C)c1C 164101990 344237023 /nfs/dbraw/zinc/23/70/23/344237023.db2.gz GMKVVZFTATWMIX-JTQLQIEISA-N 1 0 179.267 1.613 10 30 ADEERO CC#CCOC1CCC([NH2+]C)CC1 164093263 344237058 /nfs/dbraw/zinc/23/70/58/344237058.db2.gz FKDLVWVVRHOEDE-UHFFFAOYSA-N 1 0 181.279 1.557 10 30 ADEERO C=C(C)[C@H]([NH3+])c1cnsn1 164103306 344237076 /nfs/dbraw/zinc/23/70/76/344237076.db2.gz UUKUYMRIYYZZSD-LURJTMIESA-N 1 0 155.226 1.114 10 30 ADEERO C=C(C)[C@H]([NH2+]C)[C@H]1CCSC1 164104977 344237079 /nfs/dbraw/zinc/23/70/79/344237079.db2.gz YNMVVCLVRUETOE-IUCAKERBSA-N 1 0 171.309 1.904 10 30 ADEERO C=C(C)[C@H]([NH2+]C)[C@@H]1CCSC1 164104753 344237103 /nfs/dbraw/zinc/23/71/03/344237103.db2.gz YNMVVCLVRUETOE-BDAKNGLRSA-N 1 0 171.309 1.904 10 30 ADEERO C=C(C)[C@@H]([NH2+]C)c1cnns1 164132380 344237275 /nfs/dbraw/zinc/23/72/75/344237275.db2.gz WSVCWZMLAUHNPH-SSDOTTSWSA-N 1 0 169.253 1.375 10 30 ADEERO C=C(C)[C@H]([NH3+])c1cncc(F)c1 164130561 344237312 /nfs/dbraw/zinc/23/73/12/344237312.db2.gz HDYPAUPMYYUUNW-VIFPVBQESA-N 1 0 166.199 1.797 10 30 ADEERO C=C(C)[C@@H]([NH3+])c1cnc(C)cn1 164116387 344237340 /nfs/dbraw/zinc/23/73/40/344237340.db2.gz SXBLVXISMMJPIP-SECBINFHSA-N 1 0 163.224 1.361 10 30 ADEERO C=C(C)[C@H]([NH3+])[C@@H]1CCSC1 164117620 344237347 /nfs/dbraw/zinc/23/73/47/344237347.db2.gz MDQADYOYMGIDDT-SFYZADRCSA-N 1 0 157.282 1.643 10 30 ADEERO C=C(C)[C@@H]([NH3+])c1ccc(C)nc1 164127628 344237377 /nfs/dbraw/zinc/23/73/77/344237377.db2.gz HIMDJUOXCKTRKI-SNVBAGLBSA-N 1 0 162.236 1.966 10 30 ADEERO C=C(C)[C@H]([NH3+])c1cc(C)nn1C 164109336 344237396 /nfs/dbraw/zinc/23/73/96/344237396.db2.gz JTPHFCYTRZCHPL-VIFPVBQESA-N 1 0 165.240 1.304 10 30 ADEERO C=C(C)[C@H]([NH3+])c1cc(C)nnc1C 164110303 344237429 /nfs/dbraw/zinc/23/74/29/344237429.db2.gz HNJYCKGFHIVKKY-JTQLQIEISA-N 1 0 177.251 1.669 10 30 ADEERO C=C(C)[C@H]([NH3+])c1ccc(C)nc1 164127741 344237463 /nfs/dbraw/zinc/23/74/63/344237463.db2.gz HIMDJUOXCKTRKI-JTQLQIEISA-N 1 0 162.236 1.966 10 30 ADEERO C=C(C)[C@@H]([NH3+])[C@@H]1CCSC1 164117736 344237489 /nfs/dbraw/zinc/23/74/89/344237489.db2.gz MDQADYOYMGIDDT-HTQZYQBOSA-N 1 0 157.282 1.643 10 30 ADEERO C=C(C)[C@@H]([NH3+])c1cncc(F)c1 164130682 344237504 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10 30 ADEERO C[C@H]1CCC[C@H](C)N1[NH+]=C(N)C1CC1 215173278 344386827 /nfs/dbraw/zinc/38/68/27/344386827.db2.gz VTAWQBZRKJSDGY-IUCAKERBSA-N 1 0 195.310 1.932 10 30 ADEERO CC(C)C(N)=[NH+]N1CCCCC1 215160993 344386842 /nfs/dbraw/zinc/38/68/42/344386842.db2.gz UYCSFIYMRUUZHY-UHFFFAOYSA-N 1 0 169.272 1.401 10 30 ADEERO C[C@@H]1CCC[C@@H](C)N1[NH+]=C(N)C1CC1 215173317 344386870 /nfs/dbraw/zinc/38/68/70/344386870.db2.gz VTAWQBZRKJSDGY-RKDXNWHRSA-N 1 0 195.310 1.932 10 30 ADEERO CN(C)/[NH+]=C(\N)C1CCCC1 215230489 344387061 /nfs/dbraw/zinc/38/70/61/344387061.db2.gz NRRRUXIEOFQBQW-UHFFFAOYSA-N 1 0 155.245 1.010 10 30 ADEERO CC#CC[NH2+][C@H]1CCOC(C)(C)C1 215565573 344390116 /nfs/dbraw/zinc/39/01/16/344390116.db2.gz WCWXYEMZZRLBMP-JTQLQIEISA-N 1 0 181.279 1.557 10 30 ADEERO Cc1cccc(CC[NH3+])c1C#N 216073074 344394657 /nfs/dbraw/zinc/39/46/57/344394657.db2.gz KYFVYWTVXXBSIP-UHFFFAOYSA-N 1 0 160.220 1.368 10 30 ADEERO Cc1c(C#N)cccc1C[C@@H](C)[NH3+] 216073779 344394671 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/nfs/dbraw/zinc/59/96/84/344599684.db2.gz RDRFZMVTZAUVQD-HTQZYQBOSA-N 1 0 137.226 1.396 10 30 ADEERO C#C[C@@H](C)[NH2+][C@H](C)c1ccco1 229512956 344599704 /nfs/dbraw/zinc/59/97/04/344599704.db2.gz DMAVILUPEWOYOI-RKDXNWHRSA-N 1 0 163.220 1.952 10 30 ADEERO C#C[C@@H](C)[NH2+][C@@H](C)c1ccco1 229512936 344599733 /nfs/dbraw/zinc/59/97/33/344599733.db2.gz DMAVILUPEWOYOI-BDAKNGLRSA-N 1 0 163.220 1.952 10 30 ADEERO C#C[C@@H](C)[NH2+]C1(C)CCCC1 229517734 344600005 /nfs/dbraw/zinc/60/00/05/344600005.db2.gz KHDDLMIGEKUTDF-SECBINFHSA-N 1 0 151.253 1.930 10 30 ADEERO C#C[C@H](C)[NH2+]C1(C)CCCC1 229517744 344600054 /nfs/dbraw/zinc/60/00/54/344600054.db2.gz KHDDLMIGEKUTDF-VIFPVBQESA-N 1 0 151.253 1.930 10 30 ADEERO C#C[C@H](CC)[NH2+]C1CCC1 229527587 344600467 /nfs/dbraw/zinc/60/04/67/344600467.db2.gz NZKWEOULWYBVGC-MRVPVSSYSA-N 1 0 137.226 1.540 10 30 ADEERO C#C[C@H](C)[NH2+][C@@H]1C[C@@H]1C 229527675 344600472 /nfs/dbraw/zinc/60/04/72/344600472.db2.gz PYSPXDLFNZDWOU-BIIVOSGPSA-N 1 0 123.199 1.006 10 30 ADEERO C#C[C@H](CC)[NH2+][C@@H]1C[C@@H]1C 229527636 344600493 /nfs/dbraw/zinc/60/04/93/344600493.db2.gz ZMIRIXNAPRPAOV-DJLDLDEBSA-N 1 0 137.226 1.396 10 30 ADEERO C#C[C@@H](C)[NH2+]C(C)(C)C#C 229532867 344600496 /nfs/dbraw/zinc/60/04/96/344600496.db2.gz LZZQSPRHOWEEGU-MRVPVSSYSA-N 1 0 135.210 1.010 10 30 ADEERO C[C@@H]1C[C@@H](C)[C@@H](C)N(/C(N)=[NH+]\O)C1 229525187 344600519 /nfs/dbraw/zinc/60/05/19/344600519.db2.gz YACXHYBVIJFTML-BWZBUEFSSA-N 1 0 185.271 1.057 10 30 ADEERO C#C[C@H](C)[NH2+][C@@H]1CC1(C)C 229524547 344600526 /nfs/dbraw/zinc/60/05/26/344600526.db2.gz LREPLPUFKROOAZ-JGVFFNPUSA-N 1 0 137.226 1.396 10 30 ADEERO C#C[C@H](C)[NH2+][C@H]1COc2ccccc21 229533141 344600552 /nfs/dbraw/zinc/60/05/52/344600552.db2.gz PFXYCWBMIIQYAF-ONGXEEELSA-N 1 0 187.242 1.731 10 30 ADEERO C#C[C@@H](CC)[NH2+][C@H]1CC1(C)C 229524519 344600562 /nfs/dbraw/zinc/60/05/62/344600562.db2.gz YZVWERTUYNVFSA-IUCAKERBSA-N 1 0 151.253 1.786 10 30 ADEERO C#C[C@@H](C)[NH2+][C@@H]1CC1(C)C 229524537 344600576 /nfs/dbraw/zinc/60/05/76/344600576.db2.gz LREPLPUFKROOAZ-HTQZYQBOSA-N 1 0 137.226 1.396 10 30 ADEERO C#C[C@H](C)[NH2+][C@H]1C[C@@H]1C 229527694 344600591 /nfs/dbraw/zinc/60/05/91/344600591.db2.gz PYSPXDLFNZDWOU-FXQIFTODSA-N 1 0 123.199 1.006 10 30 ADEERO C#C[C@@H](C)[NH2+][C@@H]1COc2ccccc21 229533121 344600593 /nfs/dbraw/zinc/60/05/93/344600593.db2.gz PFXYCWBMIIQYAF-MWLCHTKSSA-N 1 0 187.242 1.731 10 30 ADEERO C#C[C@H](CC)[NH2+][C@H]1C[C@@H]1C 229527652 344600598 /nfs/dbraw/zinc/60/05/98/344600598.db2.gz ZMIRIXNAPRPAOV-YIZRAAEISA-N 1 0 137.226 1.396 10 30 ADEERO C#C[C@H](C)[NH2+][C@H]1CC1(C)C 229524562 344600652 /nfs/dbraw/zinc/60/06/52/344600652.db2.gz LREPLPUFKROOAZ-YUMQZZPRSA-N 1 0 137.226 1.396 10 30 ADEERO C#C[C@@H](CC)[NH2+][C@@H]1CC1(C)C 229524504 344600688 /nfs/dbraw/zinc/60/06/88/344600688.db2.gz YZVWERTUYNVFSA-DTWKUNHWSA-N 1 0 151.253 1.786 10 30 ADEERO C#C[C@@H](C)[NH2+][C@H]1CC1(C)C 229524553 344600691 /nfs/dbraw/zinc/60/06/91/344600691.db2.gz LREPLPUFKROOAZ-SFYZADRCSA-N 1 0 137.226 1.396 10 30 ADEERO C#C[C@H](C)[NH2+][C@@H]1COc2ccccc21 229533131 344600693 /nfs/dbraw/zinc/60/06/93/344600693.db2.gz PFXYCWBMIIQYAF-GXSJLCMTSA-N 1 0 187.242 1.731 10 30 ADEERO C#C[C@H](CC)[NH2+]C(C)(C)C#C 229532830 344600715 /nfs/dbraw/zinc/60/07/15/344600715.db2.gz HNAOAYVCIBKWMP-SECBINFHSA-N 1 0 149.237 1.400 10 30 ADEERO C#C[C@@H](C)[NH2+]C1CCC1 229527602 344600736 /nfs/dbraw/zinc/60/07/36/344600736.db2.gz OHXVYQVWIVOHEX-SSDOTTSWSA-N 1 0 123.199 1.150 10 30 ADEERO C#C[C@@H](CC)[NH2+]C(C)(C)C#C 229532819 344600745 /nfs/dbraw/zinc/60/07/45/344600745.db2.gz HNAOAYVCIBKWMP-VIFPVBQESA-N 1 0 149.237 1.400 10 30 ADEERO C#C[C@@H](C)[NH2+][C@H]1COc2ccccc21 229533136 344600751 /nfs/dbraw/zinc/60/07/51/344600751.db2.gz PFXYCWBMIIQYAF-KOLCDFICSA-N 1 0 187.242 1.731 10 30 ADEERO C#C[C@@H](C)[NH2+][C@H]1CC=CCC1 229537982 344600990 /nfs/dbraw/zinc/60/09/90/344600990.db2.gz WTZVOARWWXZRCO-ZJUUUORDSA-N 1 0 149.237 1.706 10 30 ADEERO C#C[C@H](C)[NH2+][C@@H]1CC=CCC1 229538009 344601028 /nfs/dbraw/zinc/60/10/28/344601028.db2.gz WTZVOARWWXZRCO-VHSXEESVSA-N 1 0 149.237 1.706 10 30 ADEERO C#C[C@H](C)[NH2+][C@H]1CC=CCC1 229537993 344601163 /nfs/dbraw/zinc/60/11/63/344601163.db2.gz WTZVOARWWXZRCO-UWVGGRQHSA-N 1 0 149.237 1.706 10 30 ADEERO C#C[C@@H](C)[NH2+][C@@H]1CC=CCC1 229538001 344601205 /nfs/dbraw/zinc/60/12/05/344601205.db2.gz WTZVOARWWXZRCO-NXEZZACHSA-N 1 0 149.237 1.706 10 30 ADEERO C#C[C@@H](C)[NH2+]C[C@H]1CCCS1 229543786 344602053 /nfs/dbraw/zinc/60/20/53/344602053.db2.gz UEUYAGKZOMKNGP-RKDXNWHRSA-N 1 0 169.293 1.493 10 30 ADEERO C#C[C@H](C)[NH2+]C[C@H]1CCCS1 229543791 344602184 /nfs/dbraw/zinc/60/21/84/344602184.db2.gz UEUYAGKZOMKNGP-DTWKUNHWSA-N 1 0 169.293 1.493 10 30 ADEERO C#C[C@@H](C)[NH2+][C@@H]1CCOC(C)(C)C1 229550452 344602341 /nfs/dbraw/zinc/60/23/41/344602341.db2.gz ARBAJPQXMNCFGO-NXEZZACHSA-N 1 0 181.279 1.555 10 30 ADEERO C#C[C@H](C)[NH2+]C[C@@H]1CCCS1 229543778 344602348 /nfs/dbraw/zinc/60/23/48/344602348.db2.gz UEUYAGKZOMKNGP-IUCAKERBSA-N 1 0 169.293 1.493 10 30 ADEERO C#C[C@H](C)[NH2+]C[C@H]1C[C@@H]1C 229555400 344602655 /nfs/dbraw/zinc/60/26/55/344602655.db2.gz JVNSHJLHPUSJTO-XHNCKOQMSA-N 1 0 137.226 1.254 10 30 ADEERO C#C[C@H](C)[NH2+][C@H]1CCCCC[C@@H]1O 229552392 344602661 /nfs/dbraw/zinc/60/26/61/344602661.db2.gz HDOWRWKGWBLAOZ-DCAQKATOSA-N 1 0 181.279 1.291 10 30 ADEERO C#C[C@H](C)[NH2+][C@@H]1CCCCC[C@@H]1O 229552376 344602701 /nfs/dbraw/zinc/60/27/01/344602701.db2.gz HDOWRWKGWBLAOZ-AXFHLTTASA-N 1 0 181.279 1.291 10 30 ADEERO C#C[C@H](C)[NH2+]C[C@@H]1C[C@@H]1C 229555387 344602737 /nfs/dbraw/zinc/60/27/37/344602737.db2.gz JVNSHJLHPUSJTO-CIUDSAMLSA-N 1 0 137.226 1.254 10 30 ADEERO C#C[C@H](CC)[NH2+]CC#CC 229555419 344602740 /nfs/dbraw/zinc/60/27/40/344602740.db2.gz UYXQNYUIHDYKMQ-SECBINFHSA-N 1 0 135.210 1.011 10 30 ADEERO C#C[C@@H](C)[NH2+][C@H]1CCOC(C)(C)C1 229550467 344602768 /nfs/dbraw/zinc/60/27/68/344602768.db2.gz ARBAJPQXMNCFGO-ZJUUUORDSA-N 1 0 181.279 1.555 10 30 ADEERO C#C[C@@H](CC)[NH2+]CC#CC 229555413 344602817 /nfs/dbraw/zinc/60/28/17/344602817.db2.gz UYXQNYUIHDYKMQ-VIFPVBQESA-N 1 0 135.210 1.011 10 30 ADEERO C#C[C@H](C)[NH2+][C@H]1CCOC(C)(C)C1 229550471 344602827 /nfs/dbraw/zinc/60/28/27/344602827.db2.gz ARBAJPQXMNCFGO-UWVGGRQHSA-N 1 0 181.279 1.555 10 30 ADEERO CC#CCC[C@@]1(O)CC[NH2+]C[C@@H]1C 229557118 344603139 /nfs/dbraw/zinc/60/31/39/344603139.db2.gz YUWLEKHLRFLMHB-WDEREUQCSA-N 1 0 181.279 1.150 10 30 ADEERO CC#CCC[C@]1(O)CC[NH2+]C[C@@H]1C 229557128 344603146 /nfs/dbraw/zinc/60/31/46/344603146.db2.gz YUWLEKHLRFLMHB-QWRGUYRKSA-N 1 0 181.279 1.150 10 30 ADEERO C#C[C@@H](C)[NH2+]C1CC(C)C1 229556023 344603148 /nfs/dbraw/zinc/60/31/48/344603148.db2.gz YFIZLCUOBSIUKG-QJAFJHJLSA-N 1 0 137.226 1.396 10 30 ADEERO C#C[C@H](C)[NH2+]C1CC=CC1 229556636 344603157 /nfs/dbraw/zinc/60/31/57/344603157.db2.gz NIRDPZNCTPTXHR-QMMMGPOBSA-N 1 0 135.210 1.316 10 30 ADEERO CC#CCC[C@]1(O)CC[NH2+]C[C@H]1C 229557149 344603161 /nfs/dbraw/zinc/60/31/61/344603161.db2.gz YUWLEKHLRFLMHB-MNOVXSKESA-N 1 0 181.279 1.150 10 30 ADEERO C#C[C@H](CC)[NH2+][C@]1(C)CCOC1 229557910 344603162 /nfs/dbraw/zinc/60/31/62/344603162.db2.gz FEKCDZFIYQXLAP-NXEZZACHSA-N 1 0 167.252 1.167 10 30 ADEERO C#C[C@@H](CC)[NH2+]C1CC(C)C1 229555971 344603178 /nfs/dbraw/zinc/60/31/78/344603178.db2.gz BMMJPTAMBIFOKU-KYHHOPLUSA-N 1 0 151.253 1.786 10 30 ADEERO C#C[C@H](C)[NH2+][C@@H](C)C=C 229557686 344603184 /nfs/dbraw/zinc/60/31/84/344603184.db2.gz RTJGOJIWMFKHIJ-YUMQZZPRSA-N 1 0 123.199 1.172 10 30 ADEERO C#CC[C@H](C)[NH2+][C@H](C)C#C 229557092 344603211 /nfs/dbraw/zinc/60/32/11/344603211.db2.gz TYJGCXQIRKMVJK-BDAKNGLRSA-N 1 0 135.210 1.010 10 30 ADEERO C#C[C@@H](CC)[NH2+][C@@]1(C)CCOC1 229557884 344603227 /nfs/dbraw/zinc/60/32/27/344603227.db2.gz FEKCDZFIYQXLAP-UWVGGRQHSA-N 1 0 167.252 1.167 10 30 ADEERO C#CC[C@@H](C)[NH2+][C@H](C)C#C 229557101 344603231 /nfs/dbraw/zinc/60/32/31/344603231.db2.gz TYJGCXQIRKMVJK-RKDXNWHRSA-N 1 0 135.210 1.010 10 30 ADEERO C#C[C@@H](C)[NH2+][C@@H](C)C=C 229557706 344603260 /nfs/dbraw/zinc/60/32/60/344603260.db2.gz RTJGOJIWMFKHIJ-SFYZADRCSA-N 1 0 123.199 1.172 10 30 ADEERO C#C[C@@H](CC)[NH2+][C@]1(C)CCOC1 229557903 344603270 /nfs/dbraw/zinc/60/32/70/344603270.db2.gz FEKCDZFIYQXLAP-VHSXEESVSA-N 1 0 167.252 1.167 10 30 ADEERO C#CC[C@@H](C)[NH2+][C@@H](C)C#C 229557083 344603281 /nfs/dbraw/zinc/60/32/81/344603281.db2.gz TYJGCXQIRKMVJK-DTWKUNHWSA-N 1 0 135.210 1.010 10 30 ADEERO C#C[C@@H](CC)[NH2+]C1CC=CC1 229556575 344603321 /nfs/dbraw/zinc/60/33/21/344603321.db2.gz SBKRHKKQHJHHFN-VIFPVBQESA-N 1 0 149.237 1.706 10 30 ADEERO C#C[C@H](CC)[NH2+]C1CC=CC1 229556582 344603342 /nfs/dbraw/zinc/60/33/42/344603342.db2.gz SBKRHKKQHJHHFN-SECBINFHSA-N 1 0 149.237 1.706 10 30 ADEERO C#C[C@H](CC)[NH2+][C@@]1(C)CCOC1 229557892 344603344 /nfs/dbraw/zinc/60/33/44/344603344.db2.gz FEKCDZFIYQXLAP-ZJUUUORDSA-N 1 0 167.252 1.167 10 30 ADEERO C#C[C@@H](C)[NH2+][C@H](C)C=C 229557697 344603352 /nfs/dbraw/zinc/60/33/52/344603352.db2.gz RTJGOJIWMFKHIJ-HTQZYQBOSA-N 1 0 123.199 1.172 10 30 ADEERO C#C[C@H](C)[NH2+]C1CC(C)C1 229556032 344603366 /nfs/dbraw/zinc/60/33/66/344603366.db2.gz YFIZLCUOBSIUKG-MGURRDGZSA-N 1 0 137.226 1.396 10 30 ADEERO C#C[C@@H](C)[NH2+]C1CC=CC1 229556632 344603377 /nfs/dbraw/zinc/60/33/77/344603377.db2.gz NIRDPZNCTPTXHR-MRVPVSSYSA-N 1 0 135.210 1.316 10 30 ADEERO CC#CCC[C@@]1(O)CC[NH2+]C[C@H]1C 229557137 344603378 /nfs/dbraw/zinc/60/33/78/344603378.db2.gz YUWLEKHLRFLMHB-GHMZBOCLSA-N 1 0 181.279 1.150 10 30 ADEERO C#C[C@H](C)N1[C@@H](C)CCC[C@@H]1C[NH3+] 229560746 344603637 /nfs/dbraw/zinc/60/36/37/344603637.db2.gz XFMUCQUIKSDTDW-GARJFASQSA-N 1 0 180.295 1.210 10 30 ADEERO C#C[C@H](C)N1C[C@@H](CC)[NH2+]C[C@@H]1CC 229561231 344603646 /nfs/dbraw/zinc/60/36/46/344603646.db2.gz SRKSIVJUMGFGEU-TUAOUCFPSA-N 1 0 194.322 1.471 10 30 ADEERO C#C[C@H](C)N1CCCC[C@H]1[C@H](C)[NH3+] 229559978 344603695 /nfs/dbraw/zinc/60/36/95/344603695.db2.gz XBJAUJFJWDVNFT-DCAQKATOSA-N 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30 ADEERO C#C[C@H]([NH2+]C1CC1)C(C)C 300885297 345009398 /nfs/dbraw/zinc/00/93/98/345009398.db2.gz JGRDZBDZHPVJIQ-VIFPVBQESA-N 1 0 137.226 1.396 10 30 ADEERO C#C[C@H](CC)Nc1cc(C)c(N)c[nH+]1 300892793 345009738 /nfs/dbraw/zinc/00/97/38/345009738.db2.gz BTMZRVXWBZSXHW-SECBINFHSA-N 1 0 189.262 1.796 10 30 ADEERO C#C[C@@H](CC)Nc1cc(C)c(N)c[nH+]1 300892794 345009810 /nfs/dbraw/zinc/00/98/10/345009810.db2.gz BTMZRVXWBZSXHW-VIFPVBQESA-N 1 0 189.262 1.796 10 30 ADEERO CC[NH2+]CC#Cc1cnn(CC)c1F 300897227 345010483 /nfs/dbraw/zinc/01/04/83/345010483.db2.gz ILKUAUTURVDAHX-UHFFFAOYSA-N 1 0 195.241 1.003 10 30 ADEERO C[C@@H]1COCC[C@@H]1[NH2+]CCCC#N 300904805 345011165 /nfs/dbraw/zinc/01/11/65/345011165.db2.gz WVOFKCHDYDDNJU-ZJUUUORDSA-N 1 0 182.267 1.305 10 30 ADEERO C[C@H]1COCC[C@@H]1[NH2+]CCCC#N 300904803 345011264 /nfs/dbraw/zinc/01/12/64/345011264.db2.gz WVOFKCHDYDDNJU-UWVGGRQHSA-N 1 0 182.267 1.305 10 30 ADEERO C[C@H]1COCC[C@H]1[NH2+]CCCC#N 300904804 345011283 /nfs/dbraw/zinc/01/12/83/345011283.db2.gz WVOFKCHDYDDNJU-VHSXEESVSA-N 1 0 182.267 1.305 10 30 ADEERO C[C@@H]1COCC[C@H]1[NH2+]CCCC#N 300904802 345011305 /nfs/dbraw/zinc/01/13/05/345011305.db2.gz WVOFKCHDYDDNJU-NXEZZACHSA-N 1 0 182.267 1.305 10 30 ADEERO C#C[C@H]([NH2+][C@@H]1CCCN(C)C1)C(C)C 300904636 345011334 /nfs/dbraw/zinc/01/13/34/345011334.db2.gz LGOUXHKZFAHSMK-NEPJUHHUSA-N 1 0 194.322 1.328 10 30 ADEERO C#C[C@H]([NH2+]C1CCC1)C(C)C 300906641 345011753 /nfs/dbraw/zinc/01/17/53/345011753.db2.gz LKVSJVZYQZPRFJ-JTQLQIEISA-N 1 0 151.253 1.786 10 30 ADEERO C#C[C@@H]([NH2+]C1CCC1)C(C)C 300906643 345011763 /nfs/dbraw/zinc/01/17/63/345011763.db2.gz LKVSJVZYQZPRFJ-SNVBAGLBSA-N 1 0 151.253 1.786 10 30 ADEERO CC(C)[C@H]([NH3+])C#Cc1cncc(F)c1 300911085 345012507 /nfs/dbraw/zinc/01/25/07/345012507.db2.gz LWZHQJNYCVZRCT-LLVKDONJSA-N 1 0 192.237 1.556 10 30 ADEERO CC(C)[C@@H]([NH3+])C#Cc1cncc(F)c1 300911087 345012604 /nfs/dbraw/zinc/01/26/04/345012604.db2.gz LWZHQJNYCVZRCT-NSHDSACASA-N 1 0 192.237 1.556 10 30 ADEERO Cc1cnccc1C#C[C@H]([NH3+])C(C)C 300917983 345012994 /nfs/dbraw/zinc/01/29/94/345012994.db2.gz MOXKHDMINIBGHS-LBPRGKRZSA-N 1 0 188.274 1.725 10 30 ADEERO C#C[C@H]([NH2+][C@@H]1CCC[C@H]1C#N)C(C)C 300918058 345013012 /nfs/dbraw/zinc/01/30/12/345013012.db2.gz MPIUXOJUGKFWKK-SDDRHHMPSA-N 1 0 190.290 1.926 10 30 ADEERO C#C[C@H]([NH2+][C@@H]1CCC[C@@H]1C#N)C(C)C 300918056 345013060 /nfs/dbraw/zinc/01/30/60/345013060.db2.gz MPIUXOJUGKFWKK-GRYCIOLGSA-N 1 0 190.290 1.926 10 30 ADEERO C#C[C@H]([NH2+][C@H]1CCC[C@@H]1C#N)C(C)C 300918062 345013223 /nfs/dbraw/zinc/01/32/23/345013223.db2.gz MPIUXOJUGKFWKK-WOPDTQHZSA-N 1 0 190.290 1.926 10 30 ADEERO Cc1cnccc1C#C[C@@H]([NH3+])C(C)C 300917981 345013270 /nfs/dbraw/zinc/01/32/70/345013270.db2.gz MOXKHDMINIBGHS-GFCCVEGCSA-N 1 0 188.274 1.725 10 30 ADEERO C#C[C@H]([NH2+][C@H]1CCC[C@H]1C#N)C(C)C 300918060 345013338 /nfs/dbraw/zinc/01/33/38/345013338.db2.gz MPIUXOJUGKFWKK-SRVKXCTJSA-N 1 0 190.290 1.926 10 30 ADEERO Cc1cncc(C#C[C@@H]([NH3+])C(C)C)c1 300921884 345013622 /nfs/dbraw/zinc/01/36/22/345013622.db2.gz MZDGGTCPAACZRP-GFCCVEGCSA-N 1 0 188.274 1.725 10 30 ADEERO CN/C(=[NH+]/N)[C@@H]1CCCC(F)(F)C1 300923317 345013625 /nfs/dbraw/zinc/01/36/25/345013625.db2.gz FAILHRGVOMZPMJ-ZCFIWIBFSA-N 1 0 191.225 1.304 10 30 ADEERO C#CCC[C@@]1(O)CC[NH2+]CC1(C)C 300920339 345013642 /nfs/dbraw/zinc/01/36/42/345013642.db2.gz YPZQOJDAQFVUTE-LLVKDONJSA-N 1 0 181.279 1.150 10 30 ADEERO C#CCC[C@]1(O)CC[NH2+]CC1(C)C 300920342 345013723 /nfs/dbraw/zinc/01/37/23/345013723.db2.gz YPZQOJDAQFVUTE-NSHDSACASA-N 1 0 181.279 1.150 10 30 ADEERO CN/C(=[NH+]/N)[C@H]1CCCC(F)(F)C1 300923313 345013744 /nfs/dbraw/zinc/01/37/44/345013744.db2.gz FAILHRGVOMZPMJ-LURJTMIESA-N 1 0 191.225 1.304 10 30 ADEERO C#C[C@H](NC1=[NH+]CCCC1)C(C)C 300924787 345013760 /nfs/dbraw/zinc/01/37/60/345013760.db2.gz NEVLMSBGOKRNFU-JTQLQIEISA-N 1 0 178.279 1.816 10 30 ADEERO C#C[C@@H](NC1=[NH+]CCCC1)C(C)C 300924789 345013786 /nfs/dbraw/zinc/01/37/86/345013786.db2.gz NEVLMSBGOKRNFU-SNVBAGLBSA-N 1 0 178.279 1.816 10 30 ADEERO Cc1cncc(C#C[C@H]([NH3+])C(C)C)c1 300921887 345013832 /nfs/dbraw/zinc/01/38/32/345013832.db2.gz MZDGGTCPAACZRP-LBPRGKRZSA-N 1 0 188.274 1.725 10 30 ADEERO C[C@H]1C[C@@H](C)[N@H+](C[C@H]2CO2)C1 300932476 345014769 /nfs/dbraw/zinc/01/47/69/345014769.db2.gz BUBPHODTVGYVTB-YIZRAAEISA-N 1 0 155.241 1.116 10 30 ADEERO C[C@H]1C[C@H](C)[N@H+](C[C@H]2CO2)C1 300932471 345014966 /nfs/dbraw/zinc/01/49/66/345014966.db2.gz BUBPHODTVGYVTB-CIUDSAMLSA-N 1 0 155.241 1.116 10 30 ADEERO C[C@H]1C[C@H](C)C[NH+](C[C@H]2CO2)C1 300933714 345015540 /nfs/dbraw/zinc/01/55/40/345015540.db2.gz CAKWSYBLOXHXJY-GUBZILKMSA-N 1 0 169.268 1.363 10 30 ADEERO C=C(C)[C@H]([NH3+])c1cc(OC)n(C)n1 300935201 345015686 /nfs/dbraw/zinc/01/56/86/345015686.db2.gz JETUEEDSOAJVEV-VIFPVBQESA-N 1 0 181.239 1.005 10 30 ADEERO C=C(C)[C@@H]([NH3+])c1cc(OC)n(C)n1 300935199 345015721 /nfs/dbraw/zinc/01/57/21/345015721.db2.gz 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345017715 /nfs/dbraw/zinc/01/77/15/345017715.db2.gz PSBWDBAGHOUDKE-SECBINFHSA-N 1 0 194.303 1.672 10 30 ADEERO C=CCNC(=O)[C@H]1CCCCCC[NH2+]1 300970795 345019837 /nfs/dbraw/zinc/01/98/37/345019837.db2.gz HERFHNSSXWGLTM-SNVBAGLBSA-N 1 0 196.294 1.211 10 30 ADEERO CC(C)[C@@H]([NH3+])C#Cc1ccncc1F 300968520 345019843 /nfs/dbraw/zinc/01/98/43/345019843.db2.gz RUZMULSZCABWME-NSHDSACASA-N 1 0 192.237 1.556 10 30 ADEERO C=CCNC(=O)[C@@H]1CCCCCC[NH2+]1 300970791 345019909 /nfs/dbraw/zinc/01/99/09/345019909.db2.gz HERFHNSSXWGLTM-JTQLQIEISA-N 1 0 196.294 1.211 10 30 ADEERO CC(C)[C@H]([NH3+])C#Cc1ccncc1F 300968517 345019935 /nfs/dbraw/zinc/01/99/35/345019935.db2.gz RUZMULSZCABWME-LLVKDONJSA-N 1 0 192.237 1.556 10 30 ADEERO C#C[C@H](Nc1cc[nH+]cc1N)C(C)C 300985125 345021989 /nfs/dbraw/zinc/02/19/89/345021989.db2.gz UTLCLVSKEXNWET-JTQLQIEISA-N 1 0 189.262 1.734 10 30 ADEERO C#CCN(C)c1cc(C)c(N)c[nH+]1 300987158 345022005 /nfs/dbraw/zinc/02/20/05/345022005.db2.gz UAYGUKZTRLSQSV-UHFFFAOYSA-N 1 0 175.235 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0 163.220 1.614 10 30 ADEERO C#C[C@H]([NH2+][C@@H]1CCCOC1)C(C)C 301002496 345023931 /nfs/dbraw/zinc/02/39/31/345023931.db2.gz XIMGLINCOKBAPA-MNOVXSKESA-N 1 0 181.279 1.413 10 30 ADEERO C#C[C@H]([NH2+][C@H]1C[C@H](O)C1(C)C)C(C)C 301003014 345024367 /nfs/dbraw/zinc/02/43/67/345024367.db2.gz XIWYRMZPUFEQIV-DCAQKATOSA-N 1 0 195.306 1.393 10 30 ADEERO C#C[C@H]([NH2+][C@@H]1C[C@@H](O)C1(C)C)C(C)C 301003016 345023978 /nfs/dbraw/zinc/02/39/78/345023978.db2.gz XIWYRMZPUFEQIV-HBNTYKKESA-N 1 0 195.306 1.393 10 30 ADEERO Cc1cc(C#C[C@@H]([NH3+])C(C)C)ccn1 301001127 345023997 /nfs/dbraw/zinc/02/39/97/345023997.db2.gz XCLJHYPFSSSSPY-GFCCVEGCSA-N 1 0 188.274 1.725 10 30 ADEERO C#C[C@H]([NH2+][C@H]1CCCOC1)C(C)C 301002497 345024027 /nfs/dbraw/zinc/02/40/27/345024027.db2.gz XIMGLINCOKBAPA-QWRGUYRKSA-N 1 0 181.279 1.413 10 30 ADEERO CCN/C(=[NH+]/N)[C@@H]1CCC(F)(F)C1 301002523 345024040 /nfs/dbraw/zinc/02/40/40/345024040.db2.gz NCQSRZAHIHFNIN-ZCFIWIBFSA-N 1 0 191.225 1.304 10 30 ADEERO 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/nfs/dbraw/zinc/30/57/45/345305745.db2.gz UMQFUVJLPVROKD-SECBINFHSA-N 1 0 155.216 1.347 10 30 ADEERO CC#C[C@H](F)C1CC[NH2+]CC1 306446074 345305750 /nfs/dbraw/zinc/30/57/50/345305750.db2.gz UMQFUVJLPVROKD-VIFPVBQESA-N 1 0 155.216 1.347 10 30 ADEERO C=C(C(F)(F)F)[C@@]1(O)CC[C@@H]([NH3+])C1 306445942 345305818 /nfs/dbraw/zinc/30/58/18/345305818.db2.gz RHAMKGXHMXIINE-RNFRBKRXSA-N 1 0 195.184 1.347 10 30 ADEERO C=C(C(F)(F)F)[C@]1(O)CC[C@@H]([NH3+])C1 306445943 345305890 /nfs/dbraw/zinc/30/58/90/345305890.db2.gz RHAMKGXHMXIINE-RQJHMYQMSA-N 1 0 195.184 1.347 10 30 ADEERO C=C(C)/C=C(\C)[C@@H](C)[NH3+] 306446429 345306418 /nfs/dbraw/zinc/30/64/18/345306418.db2.gz UZHJYAKXFKUKAI-WVXIBAHESA-N 1 0 125.215 1.856 10 30 ADEERO C=C(C)/C=C(\C)[C@H](C)[NH3+] 306446428 345306448 /nfs/dbraw/zinc/30/64/48/345306448.db2.gz UZHJYAKXFKUKAI-IVGLGHLBSA-N 1 0 125.215 1.856 10 30 ADEERO C#Cc1ccc(OC)cc1C[NH3+] 306447057 345306783 /nfs/dbraw/zinc/30/67/83/345306783.db2.gz DAFZDGWJWBQDGM-UHFFFAOYSA-N 1 0 161.204 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/nfs/dbraw/zinc/30/91/61/345309161.db2.gz KWUIHVRPUMUZOH-WPRPVWTQSA-N 1 0 165.236 1.096 10 30 ADEERO C#CC(=O)C[C@H]1CCCC[C@@H]1[NH3+] 306449089 345309198 /nfs/dbraw/zinc/30/91/98/345309198.db2.gz KWUIHVRPUMUZOH-SCZZXKLOSA-N 1 0 165.236 1.096 10 30 ADEERO C#CC(=O)C[C@@H]1CCCC[C@H]1[NH3+] 306449090 345309276 /nfs/dbraw/zinc/30/92/76/345309276.db2.gz KWUIHVRPUMUZOH-WCBMZHEXSA-N 1 0 165.236 1.096 10 30 ADEERO N#Cc1ccc(NC(N)=[NH2+])cc1F 306449694 345310250 /nfs/dbraw/zinc/31/02/50/345310250.db2.gz NACXRIMHXCICFR-UHFFFAOYSA-N 1 0 178.170 1.003 10 30 ADEERO C=CC[N@@H+]1CCCOCC12CC2 306450398 345310529 /nfs/dbraw/zinc/31/05/29/345310529.db2.gz PDKHJAZRQZLARQ-UHFFFAOYSA-N 1 0 167.252 1.427 10 30 ADEERO Cc1ncc(C[C@@H](C)C=O)n1C 306451989 345312119 /nfs/dbraw/zinc/31/21/19/345312119.db2.gz TYCPGFRTEBSFQL-SSDOTTSWSA-N 1 0 166.224 1.106 10 30 ADEERO C=C(C(=O)[C@@H]1CCC[NH2+]1)C(F)(F)F 306451549 345312300 /nfs/dbraw/zinc/31/23/00/345312300.db2.gz CGMNPIJEUZIEPZ-LURJTMIESA-N 1 0 193.168 1.426 10 30 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/nfs/dbraw/zinc/31/54/16/345315416.db2.gz PPDWCMNDUMWAHC-GUBZILKMSA-N 1 0 169.268 1.454 10 30 ADEERO C=C[C@H](C)[NH2+][C@@H]1CCC[C@]1(C)O 306455841 345315446 /nfs/dbraw/zinc/31/54/46/345315446.db2.gz PPDWCMNDUMWAHC-AEJSXWLSSA-N 1 0 169.268 1.454 10 30 ADEERO CC[C@H]([NH3+])C#Cc1csc(OC)n1 306456557 345316022 /nfs/dbraw/zinc/31/60/22/345316022.db2.gz UAGGCFSPRXXROF-ZETCQYMHSA-N 1 0 196.275 1.241 10 30 ADEERO CC[C@@H]([NH3+])C#Cc1csc(OC)n1 306456555 345316048 /nfs/dbraw/zinc/31/60/48/345316048.db2.gz UAGGCFSPRXXROF-SSDOTTSWSA-N 1 0 196.275 1.241 10 30 ADEERO CC#CC[NH2+][C@@H]1CC[C@H]1CC 306458687 345318064 /nfs/dbraw/zinc/31/80/64/345318064.db2.gz FRMWUAGFZUPUBU-NXEZZACHSA-N 1 0 151.253 1.788 10 30 ADEERO CC#CC[NH2+][C@H]1CC[C@H]1CC 306458703 345318079 /nfs/dbraw/zinc/31/80/79/345318079.db2.gz FRMWUAGFZUPUBU-ZJUUUORDSA-N 1 0 151.253 1.788 10 30 ADEERO CC#CC[NH2+][C@@H]1CC[C@@H]1CC 306458697 345318151 /nfs/dbraw/zinc/31/81/51/345318151.db2.gz FRMWUAGFZUPUBU-VHSXEESVSA-N 1 0 151.253 1.788 10 30 ADEERO CC#CC[NH2+][C@H]1CC[C@@H]1CC 306458690 345318197 /nfs/dbraw/zinc/31/81/97/345318197.db2.gz FRMWUAGFZUPUBU-UWVGGRQHSA-N 1 0 151.253 1.788 10 30 ADEERO C=C[C@H](C)[NH2+][C@@H]1CC[C@@H]2C[C@@H]21 306459392 345318493 /nfs/dbraw/zinc/31/84/93/345318493.db2.gz GLJQVDIDSSVHRB-QCLAVDOMSA-N 1 0 151.253 1.949 10 30 ADEERO C=C[C@H](C)[NH2+][C@@H]1CC[C@H]2C[C@H]21 306459390 345318504 /nfs/dbraw/zinc/31/85/04/345318504.db2.gz GLJQVDIDSSVHRB-AXTSPUMRSA-N 1 0 151.253 1.949 10 30 ADEERO C#C[C@@H](C)[N@H+](C)CC1(F)CC1 306459527 345318772 /nfs/dbraw/zinc/31/87/72/345318772.db2.gz GXSHXFKKEMYAED-MRVPVSSYSA-N 1 0 155.216 1.442 10 30 ADEERO C#C[C@H](C)[N@H+](C)CC1(F)CC1 306459529 345318816 /nfs/dbraw/zinc/31/88/16/345318816.db2.gz GXSHXFKKEMYAED-QMMMGPOBSA-N 1 0 155.216 1.442 10 30 ADEERO CC#CC[NH2+][C@@H]1CC[C@H]2C[C@H]21 306460922 345320349 /nfs/dbraw/zinc/32/03/49/345320349.db2.gz ILMLYWFMEIABMG-IVZWLZJFSA-N 1 0 149.237 1.398 10 30 ADEERO CC#CC[NH2+][C@@H]1CC[C@@H]2C[C@@H]21 306460923 345320377 /nfs/dbraw/zinc/32/03/77/345320377.db2.gz ILMLYWFMEIABMG-KXUCPTDWSA-N 1 0 149.237 1.398 10 30 ADEERO CC(C)N/C(=[NH+]/N)C1(C)CC1 306462168 345322136 /nfs/dbraw/zinc/32/21/36/345322136.db2.gz GTFUJCCOTMUVJN-UHFFFAOYSA-N 1 0 155.245 1.057 10 30 ADEERO C#CC[NH2+][C@@H]1CC[C@@H]2C[C@@H]21 306463702 345324040 /nfs/dbraw/zinc/32/40/40/345324040.db2.gz HREULMXTRVPCRI-HRDYMLBCSA-N 1 0 135.210 1.008 10 30 ADEERO C#CC[NH2+][C@H]1CC[C@@H]2C[C@H]12 306463718 345324061 /nfs/dbraw/zinc/32/40/61/345324061.db2.gz HREULMXTRVPCRI-VGMNWLOBSA-N 1 0 135.210 1.008 10 30 ADEERO CNC(=[NH2+])SCC1CCCC1 306466200 345326826 /nfs/dbraw/zinc/32/68/26/345326826.db2.gz JKAJGPRPAIYHAV-UHFFFAOYSA-N 1 0 172.297 1.854 10 30 ADEERO C#C[C@H](C)[NH2+][C@@H]1C[C@H](C)[C@H]1C 306466360 345327275 /nfs/dbraw/zinc/32/72/75/345327275.db2.gz PKKGUNDOCLIVIV-AXTSPUMRSA-N 1 0 151.253 1.642 10 30 ADEERO C#C[C@H](C)[NH2+][C@@H]1C[C@H](C)[C@@H]1C 306466359 345327374 /nfs/dbraw/zinc/32/73/74/345327374.db2.gz PKKGUNDOCLIVIV-AATLWQCWSA-N 1 0 151.253 1.642 10 30 ADEERO C#C[C@H](C)[NH2+][C@@H]1C[C@@H](C)[C@@H]1C 306466363 345327552 /nfs/dbraw/zinc/32/75/52/345327552.db2.gz PKKGUNDOCLIVIV-XFWSIPNHSA-N 1 0 151.253 1.642 10 30 ADEERO C#C[C@H](C)[NH2+][C@@H]1C[C@@H](C)[C@H]1C 306466361 345327563 /nfs/dbraw/zinc/32/75/63/345327563.db2.gz PKKGUNDOCLIVIV-UTINFBMNSA-N 1 0 151.253 1.642 10 30 ADEERO CCCNC(=[NH2+])SCCF 306467140 345327984 /nfs/dbraw/zinc/32/79/84/345327984.db2.gz QJFDBFVVEJCLFM-UHFFFAOYSA-N 1 0 164.249 1.414 10 30 ADEERO CC1(C)C[N@H+](CC[C@@H]2CO2)CCCO1 306467201 345328768 /nfs/dbraw/zinc/32/87/68/345328768.db2.gz LQWATQCHKUNHQU-SNVBAGLBSA-N 1 0 199.294 1.276 10 30 ADEERO CC1(C)C[N@H+](CC[C@H]2CO2)CCCO1 306467200 345328433 /nfs/dbraw/zinc/32/84/33/345328433.db2.gz LQWATQCHKUNHQU-JTQLQIEISA-N 1 0 199.294 1.276 10 30 ADEERO CC#C/C=C(/C)[C@H](C)[NH3+] 306468003 345329016 /nfs/dbraw/zinc/32/90/16/345329016.db2.gz LZFKEHNXDRCLGV-UAPHAKCISA-N 1 0 123.199 1.303 10 30 ADEERO CC#C/C=C(/C)[C@@H](C)[NH3+] 306467998 345329057 /nfs/dbraw/zinc/32/90/57/345329057.db2.gz LZFKEHNXDRCLGV-NFXKFNAJSA-N 1 0 123.199 1.303 10 30 ADEERO CC(C)(C)C(C)(C)C(N)=[NH+]N 306468397 345329967 /nfs/dbraw/zinc/32/99/67/345329967.db2.gz SAKVNPKBCYAUPU-UHFFFAOYSA-N 1 0 157.261 1.290 10 30 ADEERO CC#CCC[C@@H](F)C(C)(C)[NH3+] 306469259 345331604 /nfs/dbraw/zinc/33/16/04/345331604.db2.gz UITSNAZRTMRNDX-MRVPVSSYSA-N 1 0 157.232 1.865 10 30 ADEERO CC#CCC[C@H](F)C(C)(C)[NH3+] 306469260 345331974 /nfs/dbraw/zinc/33/19/74/345331974.db2.gz UITSNAZRTMRNDX-QMMMGPOBSA-N 1 0 157.232 1.865 10 30 ADEERO C=C(Cl)CN1CC[C@@H]([NH3+])[C@@H]1C 306471579 345334565 /nfs/dbraw/zinc/33/45/65/345334565.db2.gz ZKANPITTXKETPG-JGVFFNPUSA-N 1 0 174.675 1.160 10 30 ADEERO C=C(Cl)CN1CC[C@@H]([NH3+])[C@H]1C 306471577 345334614 /nfs/dbraw/zinc/33/46/14/345334614.db2.gz ZKANPITTXKETPG-HTQZYQBOSA-N 1 0 174.675 1.160 10 30 ADEERO C=C(Cl)CN1CC[C@H]([NH3+])[C@H]1C 306471581 345334701 /nfs/dbraw/zinc/33/47/01/345334701.db2.gz ZKANPITTXKETPG-SFYZADRCSA-N 1 0 174.675 1.160 10 30 ADEERO C[C@H](CC[NH3+])Nc1ccc(C#N)nc1 306471146 345334717 /nfs/dbraw/zinc/33/47/17/345334717.db2.gz RKDSVCFVOYQHCX-MRVPVSSYSA-N 1 0 190.250 1.102 10 30 ADEERO C[C@@H](CC[NH3+])Nc1ccc(C#N)nc1 306471147 345334790 /nfs/dbraw/zinc/33/47/90/345334790.db2.gz RKDSVCFVOYQHCX-QMMMGPOBSA-N 1 0 190.250 1.102 10 30 ADEERO C#Cc1ccoc1C[NH2+]CC 306471884 345334966 /nfs/dbraw/zinc/33/49/66/345334966.db2.gz SDLMFZHJHCXBFV-UHFFFAOYSA-N 1 0 149.193 1.370 10 30 ADEERO C=C[C@@H](C)[N@@H+]1CC[C@](O)(CC)C1 306472184 345335629 /nfs/dbraw/zinc/33/56/29/345335629.db2.gz BTSJZWMEPGORMF-NXEZZACHSA-N 1 0 169.268 1.408 10 30 ADEERO C=C[C@H](C)[N@@H+]1CC[C@@](O)(CC)C1 306472187 345335779 /nfs/dbraw/zinc/33/57/79/345335779.db2.gz BTSJZWMEPGORMF-UWVGGRQHSA-N 1 0 169.268 1.408 10 30 ADEERO C=C[C@H](C)[N@@H+]1CC[C@](O)(CC)C1 306472189 345335949 /nfs/dbraw/zinc/33/59/49/345335949.db2.gz BTSJZWMEPGORMF-VHSXEESVSA-N 1 0 169.268 1.408 10 30 ADEERO C=C[C@@H](C)[N@@H+]1CC[C@@](O)(CC)C1 306472191 345335955 /nfs/dbraw/zinc/33/59/55/345335955.db2.gz BTSJZWMEPGORMF-ZJUUUORDSA-N 1 0 169.268 1.408 10 30 ADEERO C=C[C@@H](C)[N@H+](C)C1CC1 306472527 345336402 /nfs/dbraw/zinc/33/64/02/345336402.db2.gz FEAZWRLGTDHYTD-SSDOTTSWSA-N 1 0 125.215 1.655 10 30 ADEERO CC#CCNCc1cnn(C)c1Cl 306473621 345337316 /nfs/dbraw/zinc/33/73/16/345337316.db2.gz VAZLVHVLBSBKHX-UHFFFAOYSA-N 1 0 197.669 1.186 10 30 ADEERO C[C@@]1(C(=O)C2=COCC2)CCC[NH2+]1 306473731 345338073 /nfs/dbraw/zinc/33/80/73/345338073.db2.gz DTMZVSNJGZHRJW-JTQLQIEISA-N 1 0 181.235 1.002 10 30 ADEERO C#Cc1ccc2c(c1)[C@H]([NH2+]C)CC2 306474458 345338835 /nfs/dbraw/zinc/33/88/35/345338835.db2.gz WGOFKIVJYQXCPN-GFCCVEGCSA-N 1 0 171.243 1.875 10 30 ADEERO [NH3+]C1(C(=O)C2=COCC2)CCCC1 306474490 345338864 /nfs/dbraw/zinc/33/88/64/345338864.db2.gz FWLBGZNGYCHACO-UHFFFAOYSA-N 1 0 181.235 1.131 10 30 ADEERO C#Cc1ccc2c(c1)[C@@H]([NH2+]C)CC2 306474459 345338880 /nfs/dbraw/zinc/33/88/80/345338880.db2.gz WGOFKIVJYQXCPN-LBPRGKRZSA-N 1 0 171.243 1.875 10 30 ADEERO C#C/C=C(\C)CCC[NH3+] 306475371 345340524 /nfs/dbraw/zinc/34/05/24/345340524.db2.gz XPPZIBIXBRYVTQ-VMPITWQZSA-N 1 0 123.199 1.305 10 30 ADEERO CC[C@H]([NH3+])C#Cc1ccc(OC)s1 306475846 345340917 /nfs/dbraw/zinc/34/09/17/345340917.db2.gz IBESEMFDTNLYEB-QMMMGPOBSA-N 1 0 195.287 1.846 10 30 ADEERO CC[C@@H]([NH3+])C#Cc1ccc(OC)s1 306475845 345341005 /nfs/dbraw/zinc/34/10/05/345341005.db2.gz IBESEMFDTNLYEB-MRVPVSSYSA-N 1 0 195.287 1.846 10 30 ADEERO C#CC[NH2+]C(C)(C)C(C)C 306477268 345343604 /nfs/dbraw/zinc/34/36/04/345343604.db2.gz ZJTLBPLXLZHEEH-UHFFFAOYSA-N 1 0 139.242 1.644 10 30 ADEERO C#CC[NH2+][C@@H](C)c1cc(C)nn1C 306478181 345344312 /nfs/dbraw/zinc/34/43/12/345344312.db2.gz ACKTWQOXEYRRCY-VIFPVBQESA-N 1 0 177.251 1.012 10 30 ADEERO C#CC[NH2+][C@H](C)c1cc(C)nn1C 306478172 345344320 /nfs/dbraw/zinc/34/43/20/345344320.db2.gz ACKTWQOXEYRRCY-SECBINFHSA-N 1 0 177.251 1.012 10 30 ADEERO CN/[NH+]=C(/C)c1cccc(N)c1 306478368 345345021 /nfs/dbraw/zinc/34/50/21/345345021.db2.gz BBARQFOZPGQEHJ-GHXNOFRVSA-N 1 0 163.224 1.212 10 30 ADEERO Cc1cc(C#N)cc(NCCC[NH3+])c1 306479256 345346077 /nfs/dbraw/zinc/34/60/77/345346077.db2.gz CYXXNZZBZYHYMB-UHFFFAOYSA-N 1 0 189.262 1.627 10 30 ADEERO CC#CC[NH2+][C@@H]1C[C@H]1[C@@H]1CCCO1 306479784 345347301 /nfs/dbraw/zinc/34/73/01/345347301.db2.gz BLYGEWPWHOUYGS-MXWKQRLJSA-N 1 0 179.263 1.167 10 30 ADEERO CC#CC[NH2+][C@@H]1C[C@@H]1[C@H]1CCCO1 306479783 345347481 /nfs/dbraw/zinc/34/74/81/345347481.db2.gz BLYGEWPWHOUYGS-HBNTYKKESA-N 1 0 179.263 1.167 10 30 ADEERO C#CC[NH2+]Cc1ccnc(Cl)c1 306480276 345347971 /nfs/dbraw/zinc/34/79/71/345347971.db2.gz FVYNKWRTCZINDA-UHFFFAOYSA-N 1 0 180.638 1.458 10 30 ADEERO CCCN/C(=[NH+]/N)C1(C)CC1 306481589 345349837 /nfs/dbraw/zinc/34/98/37/345349837.db2.gz LRHKQHXJAFBENI-UHFFFAOYSA-N 1 0 155.245 1.058 10 30 ADEERO C=C[C@@H](C)C[N@H+](C)CC1OCCO1 306482045 345350189 /nfs/dbraw/zinc/35/01/89/345350189.db2.gz 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/nfs/dbraw/zinc/35/25/50/345352550.db2.gz QEVBSAYTRNEYFI-QMMMGPOBSA-N 1 0 139.242 1.951 10 30 ADEERO C=CC[NH2+][C@@H]1CCC1(C)C 306483861 345352780 /nfs/dbraw/zinc/35/27/80/345352780.db2.gz QEVBSAYTRNEYFI-MRVPVSSYSA-N 1 0 139.242 1.951 10 30 ADEERO C#C[C@H]([NH3+])C(C)(C)C1CCC1 306484528 345353226 /nfs/dbraw/zinc/35/32/26/345353226.db2.gz GBNVFGFPKSJVIU-VIFPVBQESA-N 1 0 151.253 1.773 10 30 ADEERO C#C[C@@H]([NH3+])C(C)(C)C1CCC1 306484527 345353231 /nfs/dbraw/zinc/35/32/31/345353231.db2.gz GBNVFGFPKSJVIU-SECBINFHSA-N 1 0 151.253 1.773 10 30 ADEERO C=CC[N@@H+]1CC[C@@H](N2CC=CC2)C1 306484595 345353900 /nfs/dbraw/zinc/35/39/00/345353900.db2.gz GKHVIAVACRPROP-LLVKDONJSA-N 1 0 178.279 1.119 10 30 ADEERO C#CCC(=O)C1([NH2+]C)CCCCC1 306484773 345353942 /nfs/dbraw/zinc/35/39/42/345353942.db2.gz QGNINDAHRHLHFW-UHFFFAOYSA-N 1 0 179.263 1.501 10 30 ADEERO C=CC[N@@H+]1CC[C@H](N2CC=CC2)C1 306484596 345353984 /nfs/dbraw/zinc/35/39/84/345353984.db2.gz GKHVIAVACRPROP-NSHDSACASA-N 1 0 178.279 1.119 10 30 ADEERO CC(=[NH2+])NCc1ccc(Cl)o1 306484859 345354056 /nfs/dbraw/zinc/35/40/56/345354056.db2.gz QVYUFSZLYLNCCL-UHFFFAOYSA-N 1 0 172.615 1.810 10 30 ADEERO CC#CCC[NH2+][C@H]1CC[C@H]1C 306484981 345354457 /nfs/dbraw/zinc/35/44/57/345354457.db2.gz NLANTLIRGIDIOG-ZJUUUORDSA-N 1 0 151.253 1.788 10 30 ADEERO C#CCC[NH2+][C@@H]1CC[C@H]1C 306485061 345354467 /nfs/dbraw/zinc/35/44/67/345354467.db2.gz SNVMTAUSFLIGKX-RKDXNWHRSA-N 1 0 137.226 1.398 10 30 ADEERO CC#CCC(=O)C[C@H]1CC[C@@H]([NH3+])C1 306485107 345354470 /nfs/dbraw/zinc/35/44/70/345354470.db2.gz GNXHWMYUSJICQL-VHSXEESVSA-N 1 0 179.263 1.486 10 30 ADEERO CC#CCC[NH2+][C@H]1CC[C@@H]1C 306484979 345354487 /nfs/dbraw/zinc/35/44/87/345354487.db2.gz NLANTLIRGIDIOG-UWVGGRQHSA-N 1 0 151.253 1.788 10 30 ADEERO CC#CCC(=O)C[C@H]1CC[C@H]([NH3+])C1 306485106 345354535 /nfs/dbraw/zinc/35/45/35/345354535.db2.gz GNXHWMYUSJICQL-UWVGGRQHSA-N 1 0 179.263 1.486 10 30 ADEERO C#CCC[NH2+][C@H]1CC[C@@H]1C 306485059 345354544 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151.253 1.917 10 30 ADEERO CC#CC[C@@H]([NH3+])CC1(C)CC1 306695590 345552463 /nfs/dbraw/zinc/55/24/63/345552463.db2.gz WGMBDDFCSIVLGO-SECBINFHSA-N 1 0 151.253 1.917 10 30 ADEERO C[C@@H]([NH3+])[C@@H](C)Nc1ccncc1C#N 306695630 345552465 /nfs/dbraw/zinc/55/24/65/345552465.db2.gz WINXWLRRCNGESN-HTQZYQBOSA-N 1 0 190.250 1.101 10 30 ADEERO CC#CC1(O)CCC([NH2+]CC)CC1 306696513 345552695 /nfs/dbraw/zinc/55/26/95/345552695.db2.gz WPYWNDSVVVHQKU-UHFFFAOYSA-N 1 0 181.279 1.293 10 30 ADEERO Cc1ccc(C#CC[NH3+])cc1C#N 306696481 345552990 /nfs/dbraw/zinc/55/29/90/345552990.db2.gz WOBNXEPBVMWJFS-UHFFFAOYSA-N 1 0 170.215 1.177 10 30 ADEERO C=C(Cl)CNC(C)=[NH2+] 306696232 345552999 /nfs/dbraw/zinc/55/29/99/345552999.db2.gz WZKKERGFSHOJGJ-UHFFFAOYSA-N 1 0 132.594 1.116 10 30 ADEERO C#C[C@@H](C)[N@H+](C)CC(=C)C 306698427 345553800 /nfs/dbraw/zinc/55/38/00/345553800.db2.gz CNHVTEZWFJWZOT-SECBINFHSA-N 1 0 137.226 1.516 10 30 ADEERO N[NH+]=C(N)[C@@H]1CCCCC1(F)F 306698386 345553940 /nfs/dbraw/zinc/55/39/40/345553940.db2.gz CGTOVEODSCSFIZ-YFKPBYRVSA-N 1 0 177.198 1.043 10 30 ADEERO N[NH+]=C(N)[C@H]1CCCCC1(F)F 306698385 345553976 /nfs/dbraw/zinc/55/39/76/345553976.db2.gz CGTOVEODSCSFIZ-RXMQYKEDSA-N 1 0 177.198 1.043 10 30 ADEERO C#C[C@H](C)[N@H+](C)CC(=C)C 306698428 345553982 /nfs/dbraw/zinc/55/39/82/345553982.db2.gz CNHVTEZWFJWZOT-VIFPVBQESA-N 1 0 137.226 1.516 10 30 ADEERO C#C/C=C(\C)[C@H]1CCCC[NH2+]1 306699444 345554343 /nfs/dbraw/zinc/55/43/43/345554343.db2.gz DKGWKVBEZLCMLB-OLKPEBQYSA-N 1 0 149.237 1.708 10 30 ADEERO C#C/C=C(\C)[C@@H]1CCCC[NH2+]1 306699446 345554759 /nfs/dbraw/zinc/55/47/59/345554759.db2.gz DKGWKVBEZLCMLB-ZKXNXJMVSA-N 1 0 149.237 1.708 10 30 ADEERO C=CCNC(=[NH2+])CC(C)C 306700072 345555062 /nfs/dbraw/zinc/55/50/62/345555062.db2.gz FEMITQWXMCGQTA-UHFFFAOYSA-N 1 0 140.230 1.785 10 30 ADEERO C#CCCC1(C#N)CC[NH2+]CC1 306701073 345555846 /nfs/dbraw/zinc/55/58/46/345555846.db2.gz GGNXMCQFAOSKLP-UHFFFAOYSA-N 1 0 162.236 1.293 10 30 ADEERO 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JXKWDRLCLLXWET-MNOVXSKESA-N 1 0 193.294 1.116 10 30 ADEERO N#CCCN1CC[NH2+][C@H]2CCCC[C@H]21 306704649 345558670 /nfs/dbraw/zinc/55/86/70/345558670.db2.gz JXKWDRLCLLXWET-WDEREUQCSA-N 1 0 193.294 1.116 10 30 ADEERO CNC(=[NH2+])Nc1ccc(F)c(C#N)c1 306705669 345559385 /nfs/dbraw/zinc/55/93/85/345559385.db2.gz LFJAPXWOYBORSE-UHFFFAOYSA-N 1 0 192.197 1.263 10 30 ADEERO C#CCCN1CC[NH2+][C@@H]2CCCC[C@H]21 306706232 345559502 /nfs/dbraw/zinc/55/95/02/345559502.db2.gz LPCHSXRBPXQDQU-VXGBXAGGSA-N 1 0 192.306 1.226 10 30 ADEERO C#CCCN1CC[NH2+][C@H]2CCCC[C@H]21 306706230 345559696 /nfs/dbraw/zinc/55/96/96/345559696.db2.gz LPCHSXRBPXQDQU-NWDGAFQWSA-N 1 0 192.306 1.226 10 30 ADEERO C#CCCN1CC[NH2+][C@H]2CCCC[C@@H]21 306706231 345559713 /nfs/dbraw/zinc/55/97/13/345559713.db2.gz LPCHSXRBPXQDQU-RYUDHWBXSA-N 1 0 192.306 1.226 10 30 ADEERO C#CCCN1CC[NH2+][C@@H]2CCCC[C@@H]21 306706229 345559720 /nfs/dbraw/zinc/55/97/20/345559720.db2.gz LPCHSXRBPXQDQU-NEPJUHHUSA-N 1 0 192.306 1.226 10 30 ADEERO 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306713938 345566038 /nfs/dbraw/zinc/56/60/38/345566038.db2.gz QGAMILBLLQFICK-VIFPVBQESA-N 1 0 169.268 1.672 10 30 ADEERO C=C[C@@H](C)[N@@H+]1CCOCC1(C)C 306713937 345566283 /nfs/dbraw/zinc/56/62/83/345566283.db2.gz QGAMILBLLQFICK-SECBINFHSA-N 1 0 169.268 1.672 10 30 ADEERO CC#C/C=C(/C)CCC[NH3+] 306713747 345566489 /nfs/dbraw/zinc/56/64/89/345566489.db2.gz DENIYEBHQLCDFI-TWGQIWQCSA-N 1 0 137.226 1.695 10 30 ADEERO CC#CC[NH2+]C1CC(C)(C)C1 306715161 345567390 /nfs/dbraw/zinc/56/73/90/345567390.db2.gz RQHICFDRUACQGS-UHFFFAOYSA-N 1 0 151.253 1.788 10 30 ADEERO CC#CC[NH2+][C@@H]1CC12CCOCC2 306716679 345568697 /nfs/dbraw/zinc/56/86/97/345568697.db2.gz GGSOMDQACXUIHD-SNVBAGLBSA-N 1 0 179.263 1.168 10 30 ADEERO CC#CC[NH2+][C@H]1CC12CCOCC2 306716678 345568866 /nfs/dbraw/zinc/56/88/66/345568866.db2.gz GGSOMDQACXUIHD-JTQLQIEISA-N 1 0 179.263 1.168 10 30 ADEERO CCCC1(/C(NC)=[NH+]/N)CC1 306716478 345568904 /nfs/dbraw/zinc/56/89/04/345568904.db2.gz UBSDOPPVJYQJBX-UHFFFAOYSA-N 1 0 155.245 1.058 10 30 ADEERO C#CC(C)(C)[NH2+]C[C@@H]1CCC[C@@H](O)C1 306718003 345569146 /nfs/dbraw/zinc/56/91/46/345569146.db2.gz VRROTVJPWJHLES-GHMZBOCLSA-N 1 0 195.306 1.539 10 30 ADEERO CC[C@@](C)([NH3+])C#Cc1ccsn1 306717361 345569153 /nfs/dbraw/zinc/56/91/53/345569153.db2.gz HONBNKHPOCVUBZ-SECBINFHSA-N 1 0 180.276 1.622 10 30 ADEERO C#CC(C)(C)[NH2+]C[C@H]1CCC[C@H](O)C1 306718005 345569172 /nfs/dbraw/zinc/56/91/72/345569172.db2.gz VRROTVJPWJHLES-QWRGUYRKSA-N 1 0 195.306 1.539 10 30 ADEERO C#CC(C)(C)[NH2+]C[C@@H]1CCC[C@H](O)C1 306718004 345569378 /nfs/dbraw/zinc/56/93/78/345569378.db2.gz VRROTVJPWJHLES-MNOVXSKESA-N 1 0 195.306 1.539 10 30 ADEERO C#CC(C)(C)[NH2+]C[C@H]1CCC[C@@H](O)C1 306718006 345569452 /nfs/dbraw/zinc/56/94/52/345569452.db2.gz VRROTVJPWJHLES-WDEREUQCSA-N 1 0 195.306 1.539 10 30 ADEERO CC[C@](C)([NH3+])C#Cc1ccsn1 306717362 345569479 /nfs/dbraw/zinc/56/94/79/345569479.db2.gz HONBNKHPOCVUBZ-VIFPVBQESA-N 1 0 180.276 1.622 10 30 ADEERO CC1CC([N@H+](C)CCC#N)C1 306719208 345570248 /nfs/dbraw/zinc/57/02/48/345570248.db2.gz XMIXCTHGUAFQEZ-UHFFFAOYSA-N 1 0 152.241 1.630 10 30 ADEERO CC(=[NH2+])NCc1cc(Cl)cn1C 306719214 345570317 /nfs/dbraw/zinc/57/03/17/345570317.db2.gz XNECSVPYOVNCHP-UHFFFAOYSA-N 1 0 185.658 1.556 10 30 ADEERO C=CCC[C@]1(O)CCC[NH2+]C1 306720299 345571539 /nfs/dbraw/zinc/57/15/39/345571539.db2.gz MXPGNTAZIDKFFX-VIFPVBQESA-N 1 0 155.241 1.067 10 30 ADEERO C=CCC[C@@]1(O)CCC[NH2+]C1 306720298 345571669 /nfs/dbraw/zinc/57/16/69/345571669.db2.gz MXPGNTAZIDKFFX-SECBINFHSA-N 1 0 155.241 1.067 10 30 ADEERO C#Cc1cccc(F)c1C[NH2+]C 306723632 345573679 /nfs/dbraw/zinc/57/36/79/345573679.db2.gz SDVAIMGHDOHSNB-UHFFFAOYSA-N 1 0 163.195 1.526 10 30 ADEERO C[C@@H](CC[NH3+])Nc1ncccc1C#N 306723417 345573818 /nfs/dbraw/zinc/57/38/18/345573818.db2.gz HFYHSOZPUJVYFE-QMMMGPOBSA-N 1 0 190.250 1.102 10 30 ADEERO C#CC[C@@]1(C[NH3+])CCCS1 306723281 345573978 /nfs/dbraw/zinc/57/39/78/345573978.db2.gz RGOIRVXGMFCFJK-QMMMGPOBSA-N 1 0 155.266 1.234 10 30 ADEERO C[C@H](CC[NH3+])Nc1ncccc1C#N 306723416 345574024 /nfs/dbraw/zinc/57/40/24/345574024.db2.gz HFYHSOZPUJVYFE-MRVPVSSYSA-N 1 0 190.250 1.102 10 30 ADEERO C#CC[C@]1(C[NH3+])CCCS1 306723280 345574069 /nfs/dbraw/zinc/57/40/69/345574069.db2.gz RGOIRVXGMFCFJK-MRVPVSSYSA-N 1 0 155.266 1.234 10 30 ADEERO C#CCC1(C[NH2+]C)CCC1 306725306 345576322 /nfs/dbraw/zinc/57/63/22/345576322.db2.gz KFHVFBGWWIABJI-UHFFFAOYSA-N 1 0 137.226 1.399 10 30 ADEERO C=C[C@@H](C)[NH+]1CCC(F)(C#N)CC1 306727024 345577104 /nfs/dbraw/zinc/57/71/04/345577104.db2.gz BEIVVPGBPXUMRU-SECBINFHSA-N 1 0 182.242 1.889 10 30 ADEERO C=C[C@H](C)[NH+]1CCC(F)(C#N)CC1 306727161 345577508 /nfs/dbraw/zinc/57/75/08/345577508.db2.gz BEIVVPGBPXUMRU-VIFPVBQESA-N 1 0 182.242 1.889 10 30 ADEERO C#CCC1(C[NH2+]CC)CC1 306730720 345579538 /nfs/dbraw/zinc/57/95/38/345579538.db2.gz PRXKPMNBZXZEQK-UHFFFAOYSA-N 1 0 137.226 1.399 10 30 ADEERO CNC(=[NH+]N)c1csc(C)c1C 306730897 345579845 /nfs/dbraw/zinc/57/98/45/345579845.db2.gz LLGJMDRJTHYPMB-UHFFFAOYSA-N 1 0 183.280 1.205 10 30 ADEERO CC[C@H]1CC[C@@H](C)N(/C(N)=[NH+]/O)C1 306731321 345580330 /nfs/dbraw/zinc/58/03/30/345580330.db2.gz QPICFGXBPZQYTM-SFYZADRCSA-N 1 0 185.271 1.201 10 30 ADEERO CO[C@H](C)CC1(C#N)CC[NH2+]CC1 306733673 345582001 /nfs/dbraw/zinc/58/20/01/345582001.db2.gz TZYTWCWZMNMGFY-SECBINFHSA-N 1 0 182.267 1.305 10 30 ADEERO CO[C@@H](C)CC1(C#N)CC[NH2+]CC1 306733674 345582039 /nfs/dbraw/zinc/58/20/39/345582039.db2.gz TZYTWCWZMNMGFY-VIFPVBQESA-N 1 0 182.267 1.305 10 30 ADEERO Cc1nc([C@H](C)[NH3+])cn1[C@@H](C)C#N 306735931 345583207 /nfs/dbraw/zinc/58/32/07/345583207.db2.gz WUDIXRCKPGNNFA-BQBZGAKWSA-N 1 0 178.239 1.296 10 30 ADEERO C#CCC1(C[NH2+]C)CCCC1 306736856 345583732 /nfs/dbraw/zinc/58/37/32/345583732.db2.gz YABFHZUVPCMDJI-UHFFFAOYSA-N 1 0 151.253 1.790 10 30 ADEERO Cc1nc([C@H](C)[NH3+])cn1[C@H](C)C#N 306735932 345583237 /nfs/dbraw/zinc/58/32/37/345583237.db2.gz WUDIXRCKPGNNFA-RQJHMYQMSA-N 1 0 178.239 1.296 10 30 ADEERO N#CC1(C[NH2+][C@H]2CCCOC2)CC1 306736220 345583720 /nfs/dbraw/zinc/58/37/20/345583720.db2.gz XFUALAGJIDNXKV-VIFPVBQESA-N 1 0 180.251 1.059 10 30 ADEERO Cc1cc(NCCCC#N)nc(N)[nH+]1 306737718 345584959 /nfs/dbraw/zinc/58/49/59/345584959.db2.gz ZLPBTPHPOJFXJL-UHFFFAOYSA-N 1 0 191.238 1.083 10 30 ADEERO SCCC[N@H+]1C[C@H]2C[C@H]2C1 306739167 345585720 /nfs/dbraw/zinc/58/57/20/345585720.db2.gz JLGUQLXZXYXSMX-OCAPTIKFSA-N 1 0 157.282 1.258 10 30 ADEERO C#C[C@@H](C)[NH2+][C@H]1CSC1(C)C 306742374 345586702 /nfs/dbraw/zinc/58/67/02/345586702.db2.gz VVXOLJUTMPCIPO-SFYZADRCSA-N 1 0 169.293 1.492 10 30 ADEERO C#C[C@H](C)[NH2+][C@@H]1CSC1(C)C 306742373 345586936 /nfs/dbraw/zinc/58/69/36/345586936.db2.gz VVXOLJUTMPCIPO-JGVFFNPUSA-N 1 0 169.293 1.492 10 30 ADEERO C#C[C@@H](C)[NH2+][C@@H]1CSC1(C)C 306742372 345586968 /nfs/dbraw/zinc/58/69/68/345586968.db2.gz VVXOLJUTMPCIPO-HTQZYQBOSA-N 1 0 169.293 1.492 10 30 ADEERO C#C[C@H](C)[NH2+][C@H]1CSC1(C)C 306742375 345586978 /nfs/dbraw/zinc/58/69/78/345586978.db2.gz VVXOLJUTMPCIPO-YUMQZZPRSA-N 1 0 169.293 1.492 10 30 ADEERO C=C(C)C[C@H]([NH3+])c1ccc[nH]1 306744559 345587911 /nfs/dbraw/zinc/58/79/11/345587911.db2.gz YDDJPBRYLNKTTN-QMMMGPOBSA-N 1 0 150.225 1.981 10 30 ADEERO C=C(C)C[C@@H]([NH3+])c1ccc[nH]1 306744558 345587938 /nfs/dbraw/zinc/58/79/38/345587938.db2.gz YDDJPBRYLNKTTN-MRVPVSSYSA-N 1 0 150.225 1.981 10 30 ADEERO C#Cc1ccc(C[NH3+])s1 306746827 345589190 /nfs/dbraw/zinc/58/91/90/345589190.db2.gz DKOLPSFVCXVQHD-UHFFFAOYSA-N 1 0 137.207 1.188 10 30 ADEERO C#CC[NH2+]C1(CC)CC1 306746348 345589320 /nfs/dbraw/zinc/58/93/20/345589320.db2.gz KBKMZTOSFBYUOK-UHFFFAOYSA-N 1 0 123.199 1.152 10 30 ADEERO CC[C@](C)([NH3+])C#CCc1nccs1 306750156 345590691 /nfs/dbraw/zinc/59/06/91/345590691.db2.gz MCTGOBBQCOOMNJ-JTQLQIEISA-N 1 0 194.303 1.816 10 30 ADEERO C#C[C@H]([NH2+]C)[C@H]1C[C@@H]1CC 306750239 345590723 /nfs/dbraw/zinc/59/07/23/345590723.db2.gz MJUXECILPYWSNM-CIUDSAMLSA-N 1 0 137.226 1.254 10 30 ADEERO C#C[C@H]([NH2+]C)[C@@H]1C[C@@H]1CC 306750242 345590727 /nfs/dbraw/zinc/59/07/27/345590727.db2.gz MJUXECILPYWSNM-YIZRAAEISA-N 1 0 137.226 1.254 10 30 ADEERO C#C[C@H]([NH2+]C)[C@@H]1C[C@H]1CC 306750240 345590842 /nfs/dbraw/zinc/59/08/42/345590842.db2.gz MJUXECILPYWSNM-HLTSFMKQSA-N 1 0 137.226 1.254 10 30 ADEERO CC[C@@](C)([NH3+])C#CCc1nccs1 306750158 345590868 /nfs/dbraw/zinc/59/08/68/345590868.db2.gz MCTGOBBQCOOMNJ-SNVBAGLBSA-N 1 0 194.303 1.816 10 30 ADEERO C#C[C@H]([NH2+]C)[C@H]1C[C@H]1CC 306750241 345590903 /nfs/dbraw/zinc/59/09/03/345590903.db2.gz MJUXECILPYWSNM-VGMNWLOBSA-N 1 0 137.226 1.254 10 30 ADEERO C=C1CCN(C[C@H]2CCC[NH2+]2)CC1 306750180 345590933 /nfs/dbraw/zinc/59/09/33/345590933.db2.gz METJKVGGTJWYKN-LLVKDONJSA-N 1 0 180.295 1.390 10 30 ADEERO CC(=O)/C=C1/CC[N@@H+]2CCC[C@H]1C2 306751323 345591594 /nfs/dbraw/zinc/59/15/94/345591594.db2.gz LGTPLLLKTQDOSO-BRNRAETOSA-N 1 0 179.263 1.618 10 30 ADEERO CCNC(Nc1cscc1C)=[NH+]N 306753330 345592634 /nfs/dbraw/zinc/59/26/34/345592634.db2.gz MCVHMTGRYFTBMY-UHFFFAOYSA-N 1 0 198.295 1.308 10 30 ADEERO C=CC[NH+]1[C@@H](C)C[C@@H]1C 306756562 345593643 /nfs/dbraw/zinc/59/36/43/345593643.db2.gz MIBMLAWCLNLVLN-YUMQZZPRSA-N 1 0 125.215 1.655 10 30 ADEERO C=CC[NH+]1[C@H](C)C[C@H]1C 306756560 345593681 /nfs/dbraw/zinc/59/36/81/345593681.db2.gz MIBMLAWCLNLVLN-HTQZYQBOSA-N 1 0 125.215 1.655 10 30 ADEERO C=CC[N@@H+]1[C@@H](C)C[C@H]1C 306756561 345593737 /nfs/dbraw/zinc/59/37/37/345593737.db2.gz MIBMLAWCLNLVLN-OCAPTIKFSA-N 1 0 125.215 1.655 10 30 ADEERO C#Cc1ccc(C[NH2+]CC)o1 306757644 345593896 /nfs/dbraw/zinc/59/38/96/345593896.db2.gz NNWRHPGKUPAKNT-UHFFFAOYSA-N 1 0 149.193 1.370 10 30 ADEERO Cc1cc(N[C@H](C)C[NH3+])cc(C#N)n1 306757422 345594145 /nfs/dbraw/zinc/59/41/45/345594145.db2.gz RXHOYSDIRKBBSC-MRVPVSSYSA-N 1 0 190.250 1.021 10 30 ADEERO Cc1nc([C@@H](C)[NH3+])cn1[C@H](C)C#N 306759687 345595878 /nfs/dbraw/zinc/59/58/78/345595878.db2.gz WUDIXRCKPGNNFA-RNFRBKRXSA-N 1 0 178.239 1.296 10 30 ADEERO Cc1nc([C@@H](C)[NH3+])cn1[C@@H](C)C#N 306759686 345596246 /nfs/dbraw/zinc/59/62/46/345596246.db2.gz WUDIXRCKPGNNFA-NKWVEPMBSA-N 1 0 178.239 1.296 10 30 ADEERO C#CCCC1(C[NH3+])CCCC1 306760789 345596823 /nfs/dbraw/zinc/59/68/23/345596823.db2.gz YITGCBFWKPKGQL-UHFFFAOYSA-N 1 0 151.253 1.919 10 30 ADEERO C#CC[NH2+][C@@H]1CCc2ccsc21 306761741 345597133 /nfs/dbraw/zinc/59/71/33/345597133.db2.gz SGJLIGSNAQJRCR-SECBINFHSA-N 1 0 177.272 1.958 10 30 ADEERO C#CC[NH2+][C@H]1CCc2ccsc21 306761742 345597163 /nfs/dbraw/zinc/59/71/63/345597163.db2.gz SGJLIGSNAQJRCR-VIFPVBQESA-N 1 0 177.272 1.958 10 30 ADEERO C[C@H](C#N)[C@H](C)N[C@H]1C[N@H+](C)C[C@@H]1C 306762705 345598487 /nfs/dbraw/zinc/59/84/87/345598487.db2.gz DYRVUCNACLCGKZ-RCWTZXSCSA-N 1 0 195.310 1.074 10 30 ADEERO C[C@H](C#N)[C@H](C)N[C@@H]1C[N@H+](C)C[C@@H]1C 306762706 345598495 /nfs/dbraw/zinc/59/84/95/345598495.db2.gz DYRVUCNACLCGKZ-VPOLOUISSA-N 1 0 195.310 1.074 10 30 ADEERO C[C@H](C#N)[C@H](C)N[C@H]1C[N@H+](C)C[C@H]1C 306762707 345598767 /nfs/dbraw/zinc/59/87/67/345598767.db2.gz DYRVUCNACLCGKZ-ZNSHCXBVSA-N 1 0 195.310 1.074 10 30 ADEERO C[C@H](C#N)[C@H](C)N[C@@H]1C[N@H+](C)C[C@H]1C 306762704 345598779 /nfs/dbraw/zinc/59/87/79/345598779.db2.gz DYRVUCNACLCGKZ-CHWFTXMASA-N 1 0 195.310 1.074 10 30 ADEERO CCC1(NC(NC)=[NH+]C)CCC1 306763150 345599208 /nfs/dbraw/zinc/59/92/08/345599208.db2.gz FWVQCWKLEJSMID-UHFFFAOYSA-N 1 0 169.272 1.114 10 30 ADEERO CN/C(=[NH+]\C)N(C)C1CCCC1 306763396 345599288 /nfs/dbraw/zinc/59/92/88/345599288.db2.gz GFKFKYDFIAUFRJ-UHFFFAOYSA-N 1 0 169.272 1.066 10 30 ADEERO CN/C(=[NH+]/C)N1CCCC1(C)C 306763997 345599789 /nfs/dbraw/zinc/59/97/89/345599789.db2.gz GWPMESKAPXYXNA-UHFFFAOYSA-N 1 0 169.272 1.066 10 30 ADEERO CC#CCCOC1(C)CC[NH2+]CC1 306764950 345599953 /nfs/dbraw/zinc/59/99/53/345599953.db2.gz LFASWZSIBZMIFB-UHFFFAOYSA-N 1 0 181.279 1.559 10 30 ADEERO CN/C(=[NH+]\C)SC1CCOCC1 306765144 345600424 /nfs/dbraw/zinc/60/04/24/345600424.db2.gz HWPZMJQMVOTGTA-UHFFFAOYSA-N 1 0 188.296 1.104 10 30 ADEERO CN/C(=[NH+]/C)N1CC[C@@H]2CCC[C@H]21 306765242 345600524 /nfs/dbraw/zinc/60/05/24/345600524.db2.gz IEUUIENSDKNOLP-DTWKUNHWSA-N 1 0 181.283 1.066 10 30 ADEERO CN/C(=[NH+]/C)N1CC[C@@H]2CCC[C@@H]21 306765251 345600766 /nfs/dbraw/zinc/60/07/66/345600766.db2.gz IEUUIENSDKNOLP-IUCAKERBSA-N 1 0 181.283 1.066 10 30 ADEERO C#C[C@@]1(F)CC[C@@H](C)[NH2+]C1 306767358 345601653 /nfs/dbraw/zinc/60/16/53/345601653.db2.gz CIYSFPMPQDSZNM-HTQZYQBOSA-N 1 0 141.189 1.100 10 30 ADEERO C#C[C@]1(F)CC[C@H](C)[NH2+]C1 306767361 345601661 /nfs/dbraw/zinc/60/16/61/345601661.db2.gz CIYSFPMPQDSZNM-YUMQZZPRSA-N 1 0 141.189 1.100 10 30 ADEERO C#C[C@]1(F)CC[C@@H](C)[NH2+]C1 306767360 345601914 /nfs/dbraw/zinc/60/19/14/345601914.db2.gz CIYSFPMPQDSZNM-SFYZADRCSA-N 1 0 141.189 1.100 10 30 ADEERO C#C[C@@]1(F)CC[C@H](C)[NH2+]C1 306767359 345601942 /nfs/dbraw/zinc/60/19/42/345601942.db2.gz CIYSFPMPQDSZNM-JGVFFNPUSA-N 1 0 141.189 1.100 10 30 ADEERO CC#CCC1(C[NH3+])CCCC1 306767793 345602254 /nfs/dbraw/zinc/60/22/54/345602254.db2.gz PHKJNCNAGBOLJS-UHFFFAOYSA-N 1 0 151.253 1.919 10 30 ADEERO CNC(Nc1ccccc1C)=[NH+]C 306767665 345602342 /nfs/dbraw/zinc/60/23/42/345602342.db2.gz CWMKVEYEMHKOQO-UHFFFAOYSA-N 1 0 177.251 1.612 10 30 ADEERO C[C@@H](C#N)C[NH2+][C@@H]1CCC[C@H]2C[C@H]21 306769086 345603577 /nfs/dbraw/zinc/60/35/77/345603577.db2.gz QFJIUAAPJXOJPT-UKKRHICBSA-N 1 0 178.279 1.924 10 30 ADEERO C[C@@H](C#N)C[NH2+][C@H]1CCC[C@H]2C[C@H]21 306769085 345603659 /nfs/dbraw/zinc/60/36/59/345603659.db2.gz QFJIUAAPJXOJPT-MMWGEVLESA-N 1 0 178.279 1.924 10 30 ADEERO C[C@H](C#N)C[NH2+][C@H]1CCC[C@H]2C[C@H]21 306769087 345603697 /nfs/dbraw/zinc/60/36/97/345603697.db2.gz QFJIUAAPJXOJPT-YTWAJWBKSA-N 1 0 178.279 1.924 10 30 ADEERO CN/C(=[NH+]/C)N1CCC2(CCC2)C1 306770795 345604064 /nfs/dbraw/zinc/60/40/64/345604064.db2.gz BAGWKSRMHQTMQR-UHFFFAOYSA-N 1 0 181.283 1.068 10 30 ADEERO C#CCC[NH2+][C@@H]1CC[C@@H]2C[C@@H]21 306770597 345604184 /nfs/dbraw/zinc/60/41/84/345604184.db2.gz QQQBVEYLAABCJS-KXUCPTDWSA-N 1 0 149.237 1.398 10 30 ADEERO C#CCC[NH2+][C@H]1CSC1(C)C 306774956 345606200 /nfs/dbraw/zinc/60/62/00/345606200.db2.gz WHCSPMOHVKYCDI-QMMMGPOBSA-N 1 0 169.293 1.493 10 30 ADEERO C#CCC[NH2+][C@@H]1CSC1(C)C 306774955 345606207 /nfs/dbraw/zinc/60/62/07/345606207.db2.gz WHCSPMOHVKYCDI-MRVPVSSYSA-N 1 0 169.293 1.493 10 30 ADEERO CC[C@@H]1CCC[C@H]1NC(NC)=[NH+]C 306775318 345606712 /nfs/dbraw/zinc/60/67/12/345606712.db2.gz WRXVXCPLHBNTJS-RKDXNWHRSA-N 1 0 183.299 1.360 10 30 ADEERO Cc1cocc1C#CCCC[NH3+] 306775382 345606827 /nfs/dbraw/zinc/60/68/27/345606827.db2.gz LLQRVYVWFOWBCO-UHFFFAOYSA-N 1 0 163.220 1.678 10 30 ADEERO C=CC[C@]1(O)CC[C@@H](C)[NH2+]C1 306775422 345606833 /nfs/dbraw/zinc/60/68/33/345606833.db2.gz LPABTHLTOWVLES-BDAKNGLRSA-N 1 0 155.241 1.066 10 30 ADEERO C=CC[C@@]1(O)CC[C@@H](C)[NH2+]C1 306775426 345606869 /nfs/dbraw/zinc/60/68/69/345606869.db2.gz LPABTHLTOWVLES-RKDXNWHRSA-N 1 0 155.241 1.066 10 30 ADEERO CC[C@@H]1CCC[C@@H]1NC(NC)=[NH+]C 306775315 345606882 /nfs/dbraw/zinc/60/68/82/345606882.db2.gz WRXVXCPLHBNTJS-BDAKNGLRSA-N 1 0 183.299 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C=C(C)[C@]1(F)[C@H]2C[C@@H]3C[NH2+][C@@H]1[C@H]3C2 307007307 345748515 /nfs/dbraw/zinc/74/85/15/345748515.db2.gz GRBNYODUIRYSEM-KJPMQGKISA-N 1 0 181.254 1.899 10 30 ADEERO C=C(C)[C@]1(F)[C@@H]2C[C@@H]3[C@@H]1[NH2+]C[C@@H]3C2 307007310 345748690 /nfs/dbraw/zinc/74/86/90/345748690.db2.gz GRBNYODUIRYSEM-QHZLYTNSSA-N 1 0 181.254 1.899 10 30 ADEERO C[C@@H]1COCCC[N@@H+]1C(C)(C)C=O 307008605 345748938 /nfs/dbraw/zinc/74/89/38/345748938.db2.gz HPXCFADBOGIDHR-SECBINFHSA-N 1 0 185.267 1.075 10 30 ADEERO C[C@H]1COCCC[N@@H+]1C(C)(C)C=O 307008606 345749011 /nfs/dbraw/zinc/74/90/11/345749011.db2.gz HPXCFADBOGIDHR-VIFPVBQESA-N 1 0 185.267 1.075 10 30 ADEERO CC1CC[NH+](C(C)(C)C=O)CC1 307008750 345749175 /nfs/dbraw/zinc/74/91/75/345749175.db2.gz MQAXOTHLTXMQJG-UHFFFAOYSA-N 1 0 169.268 1.696 10 30 ADEERO CC#CC[C@@H]([NH3+])c1cncnc1C 307009170 345749586 /nfs/dbraw/zinc/74/95/86/345749586.db2.gz IEDBXCBQRCMLMG-SNVBAGLBSA-N 1 0 175.235 1.198 10 30 ADEERO CC#CC[C@H]([NH3+])c1cncnc1C 307009168 345749687 /nfs/dbraw/zinc/74/96/87/345749687.db2.gz IEDBXCBQRCMLMG-JTQLQIEISA-N 1 0 175.235 1.198 10 30 ADEERO CC[C@@](C)([NH3+])C#Cc1ccns1 307009510 345749752 /nfs/dbraw/zinc/74/97/52/345749752.db2.gz IMWMVOKUAFYLQC-SECBINFHSA-N 1 0 180.276 1.622 10 30 ADEERO CC[C@](C)([NH3+])C#Cc1ccns1 307009511 345750225 /nfs/dbraw/zinc/75/02/25/345750225.db2.gz IMWMVOKUAFYLQC-VIFPVBQESA-N 1 0 180.276 1.622 10 30 ADEERO C#CCC[NH+]1C[C@H]2CC=CC[C@@H]2C1 307013059 345752181 /nfs/dbraw/zinc/75/21/81/345752181.db2.gz LMYTULJZRCQWEK-VXGBXAGGSA-N 1 0 175.275 1.908 10 30 ADEERO C#CC[N@@H+]1CC[C@@]2(CCCOC2)C1 307012683 345752192 /nfs/dbraw/zinc/75/21/92/345752192.db2.gz LEUKRCZSECARQE-NSHDSACASA-N 1 0 179.263 1.122 10 30 ADEERO C#CCC[NH+]1C[C@@H]2CC=CC[C@H]2C1 307013057 345752218 /nfs/dbraw/zinc/75/22/18/345752218.db2.gz LMYTULJZRCQWEK-RYUDHWBXSA-N 1 0 175.275 1.908 10 30 ADEERO C#CC[N@@H+]1CC[C@]2(CCCOC2)C1 307012682 345752336 /nfs/dbraw/zinc/75/23/36/345752336.db2.gz LEUKRCZSECARQE-LLVKDONJSA-N 1 0 179.263 1.122 10 30 ADEERO C#C[C@](C)(CC)NC1=[NH+]CCCC1 307013430 345752631 /nfs/dbraw/zinc/75/26/31/345752631.db2.gz QZZPNKZPQROFNH-LLVKDONJSA-N 1 0 178.279 1.960 10 30 ADEERO C#C[C@@](C)(CC)NC1=[NH+]CCCC1 307013433 345752746 /nfs/dbraw/zinc/75/27/46/345752746.db2.gz QZZPNKZPQROFNH-NSHDSACASA-N 1 0 178.279 1.960 10 30 ADEERO C=CCSCC(=C)C[NH3+] 307014462 345753074 /nfs/dbraw/zinc/75/30/74/345753074.db2.gz PBHQLOVFDSCHBL-UHFFFAOYSA-N 1 0 143.255 1.421 10 30 ADEERO Cc1cnc(C#CCC[NH3+])c(C)c1 307014649 345753351 /nfs/dbraw/zinc/75/33/51/345753351.db2.gz MXDPSDZXTQIFDT-UHFFFAOYSA-N 1 0 174.247 1.399 10 30 ADEERO C=C[C@@H](C)[N@@H+]1CCO[C@H](C)C1 307017723 345755546 /nfs/dbraw/zinc/75/55/46/345755546.db2.gz QEAOSROQNMBACO-RKDXNWHRSA-N 1 0 155.241 1.282 10 30 ADEERO C=C[C@H](C)[N@@H+]1CCO[C@H](C)C1 307017721 345755578 /nfs/dbraw/zinc/75/55/78/345755578.db2.gz QEAOSROQNMBACO-DTWKUNHWSA-N 1 0 155.241 1.282 10 30 ADEERO C=CCNc1c(N)c[nH+]cc1Cl 307017252 345755718 /nfs/dbraw/zinc/75/57/18/345755718.db2.gz PVHCDIGHFLNXAG-UHFFFAOYSA-N 1 0 183.642 1.915 10 30 ADEERO CCC1(C(NC2CC2)=[NH+]N)CC1 307018923 345756736 /nfs/dbraw/zinc/75/67/36/345756736.db2.gz RIGRLUUFBVMNQD-UHFFFAOYSA-N 1 0 167.256 1.201 10 30 ADEERO CC#CC[N@H+]1C[C@H]2[C@H](F)CC[C@H]2C1 307019027 345756834 /nfs/dbraw/zinc/75/68/34/345756834.db2.gz RPOHLHXCYDSOSL-HBNTYKKESA-N 1 0 181.254 1.690 10 30 ADEERO CC#CCCS/C(NC)=[NH+]/C 307018731 345756925 /nfs/dbraw/zinc/75/69/25/345756925.db2.gz UCLNUTXDEZNDKM-UHFFFAOYSA-N 1 0 170.281 1.338 10 30 ADEERO CC#CC[N@@H+]1C[C@@H]2CC[C@@H](F)[C@H]2C1 307019026 345756962 /nfs/dbraw/zinc/75/69/62/345756962.db2.gz RPOHLHXCYDSOSL-GARJFASQSA-N 1 0 181.254 1.690 10 30 ADEERO CC#CC[N@H+]1C[C@H]2[C@@H](F)CC[C@H]2C1 307019024 345756970 /nfs/dbraw/zinc/75/69/70/345756970.db2.gz RPOHLHXCYDSOSL-AXFHLTTASA-N 1 0 181.254 1.690 10 30 ADEERO CC#CC[N@@H+]1C[C@@H]2CC[C@H](F)[C@H]2C1 307019025 345757004 /nfs/dbraw/zinc/75/70/04/345757004.db2.gz RPOHLHXCYDSOSL-DCAQKATOSA-N 1 0 181.254 1.690 10 30 ADEERO C#CCC[N@@H+]1CCOCC2(CC2)C1 307020560 345758082 /nfs/dbraw/zinc/75/80/82/345758082.db2.gz TYFMMNHPDYUHBD-UHFFFAOYSA-N 1 0 179.263 1.122 10 30 ADEERO CC#CCSC(=[NH2+])NC(C)C 307021141 345758692 /nfs/dbraw/zinc/75/86/92/345758692.db2.gz UCNWLVCLGBSXJK-UHFFFAOYSA-N 1 0 170.281 1.466 10 30 ADEERO C[C@H]1C[N@H+](C[C@H]2CO2)C(C)(C)C1 307022691 345759100 /nfs/dbraw/zinc/75/91/00/345759100.db2.gz GZOFXHWNCYRGCD-BDAKNGLRSA-N 1 0 169.268 1.506 10 30 ADEERO C[C@@H]1C[N@H+](C[C@H]2CO2)C(C)(C)C1 307022692 345759164 /nfs/dbraw/zinc/75/91/64/345759164.db2.gz GZOFXHWNCYRGCD-IUCAKERBSA-N 1 0 169.268 1.506 10 30 ADEERO C#CC[NH2+][C@@H]1CC12CCCC2 307022806 345759725 /nfs/dbraw/zinc/75/97/25/345759725.db2.gz UUGUSQVMADIBNH-SECBINFHSA-N 1 0 149.237 1.542 10 30 ADEERO c1nncn1[NH+]=C(C1CC1)C1CC1 307026092 345762048 /nfs/dbraw/zinc/76/20/48/345762048.db2.gz XWBSVYLURFLJLF-UHFFFAOYSA-N 1 0 176.223 1.302 10 30 ADEERO O=C(C[NH+]1CCCCC1)C1=COCC1 307026067 345762105 /nfs/dbraw/zinc/76/21/05/345762105.db2.gz XUBBDIRIYSDABN-UHFFFAOYSA-N 1 0 195.262 1.346 10 30 ADEERO CC#CCC[NH2+][C@@H]1CSC[C@H]1C 307025590 345762348 /nfs/dbraw/zinc/76/23/48/345762348.db2.gz HIBKHQSNNSSLDN-NXEZZACHSA-N 1 0 183.320 1.741 10 30 ADEERO CC#CCC[NH2+][C@@H]1CSC[C@@H]1C 307025592 345762383 /nfs/dbraw/zinc/76/23/83/345762383.db2.gz HIBKHQSNNSSLDN-VHSXEESVSA-N 1 0 183.320 1.741 10 30 ADEERO CC#CCC[NH2+][C@H]1CSC[C@H]1C 307025593 345762599 /nfs/dbraw/zinc/76/25/99/345762599.db2.gz HIBKHQSNNSSLDN-ZJUUUORDSA-N 1 0 183.320 1.741 10 30 ADEERO CC#CCC[NH2+][C@H]1CSC[C@@H]1C 307025591 345762606 /nfs/dbraw/zinc/76/26/06/345762606.db2.gz HIBKHQSNNSSLDN-UWVGGRQHSA-N 1 0 183.320 1.741 10 30 ADEERO C#CC[n+]1cc(CC)ccc1C 307026614 345762863 /nfs/dbraw/zinc/76/28/63/345762863.db2.gz YIXIRYJIYVCGFY-UHFFFAOYSA-N 1 0 160.240 1.478 10 30 ADEERO C[C@H](NC(C)(C)C#N)[C@H]1CCOC1 307026983 345762913 /nfs/dbraw/zinc/76/29/13/345762913.db2.gz ZAOFRLAFKWDHMX-IUCAKERBSA-N 1 0 182.267 1.303 10 30 ADEERO Cc1nc(NN)c(Cl)cc1C#N 307026293 345763006 /nfs/dbraw/zinc/76/30/06/345763006.db2.gz YBTNMCJXOJYKSP-UHFFFAOYSA-N 1 0 182.614 1.201 10 30 ADEERO C[C@@H](NC(C)(C)C#N)[C@H]1CCOC1 307026981 345763023 /nfs/dbraw/zinc/76/30/23/345763023.db2.gz ZAOFRLAFKWDHMX-BDAKNGLRSA-N 1 0 182.267 1.303 10 30 ADEERO C[C@H](NC(C)(C)C#N)[C@@H]1CCOC1 307026982 345763118 /nfs/dbraw/zinc/76/31/18/345763118.db2.gz ZAOFRLAFKWDHMX-DTWKUNHWSA-N 1 0 182.267 1.303 10 30 ADEERO C[C@@H](NC(C)(C)C#N)[C@@H]1CCOC1 307026984 345763139 /nfs/dbraw/zinc/76/31/39/345763139.db2.gz ZAOFRLAFKWDHMX-RKDXNWHRSA-N 1 0 182.267 1.303 10 30 ADEERO C#C[C@@](C)(CC)N1CC[NH2+]C[C@H]1C 307027395 345764343 /nfs/dbraw/zinc/76/43/43/345764343.db2.gz IDEKAASBSROLHN-MNOVXSKESA-N 1 0 180.295 1.082 10 30 ADEERO C#CC[NH2+][C@@H]1CCC[C@@H]2C[C@@]21C 307027357 345764222 /nfs/dbraw/zinc/76/42/22/345764222.db2.gz ZZRQITIBMVXMDE-MXWKQRLJSA-N 1 0 163.264 1.788 10 30 ADEERO C#C[C@@](C)(CC)N1CC[NH2+]C[C@@H]1C 307027400 345764238 /nfs/dbraw/zinc/76/42/38/345764238.db2.gz IDEKAASBSROLHN-QWRGUYRKSA-N 1 0 180.295 1.082 10 30 ADEERO C#C[C@](C)(CC)N1CC[NH2+]C[C@@H]1C 307027407 345764360 /nfs/dbraw/zinc/76/43/60/345764360.db2.gz IDEKAASBSROLHN-WDEREUQCSA-N 1 0 180.295 1.082 10 30 ADEERO C#CC[NH2+][C@@H]1CCC[C@H]2C[C@]21C 307027356 345764407 /nfs/dbraw/zinc/76/44/07/345764407.db2.gz ZZRQITIBMVXMDE-HBNTYKKESA-N 1 0 163.264 1.788 10 30 ADEERO C=C1CCN(C[C@@H]2CCC[NH2+]2)CC1 307027846 345764437 /nfs/dbraw/zinc/76/44/37/345764437.db2.gz METJKVGGTJWYKN-NSHDSACASA-N 1 0 180.295 1.390 10 30 ADEERO C#C[C@](C)(CC)N1CC[NH2+]C[C@H]1C 307027390 345764450 /nfs/dbraw/zinc/76/44/50/345764450.db2.gz IDEKAASBSROLHN-GHMZBOCLSA-N 1 0 180.295 1.082 10 30 ADEERO CN/C(=[NH+]/C)N(C)Cc1ccccc1 307029256 345764912 /nfs/dbraw/zinc/76/49/12/345764912.db2.gz IXTOVZCDEQSIAF-UHFFFAOYSA-N 1 0 191.278 1.324 10 30 ADEERO C=C(C)C[NH2+][C@@H]1CC[NH2+]C[C@@H]1C 307030174 345765410 /nfs/dbraw/zinc/76/54/10/345765410.db2.gz NIBUUDODKKFSBL-VHSXEESVSA-N 1 0 168.284 1.150 10 30 ADEERO C=C(C)C[NH2+][C@@H]1CC[NH2+]C[C@H]1C 307030172 345765426 /nfs/dbraw/zinc/76/54/26/345765426.db2.gz NIBUUDODKKFSBL-NXEZZACHSA-N 1 0 168.284 1.150 10 30 ADEERO C=C(C)C[NH2+][C@H]1CC[NH2+]C[C@H]1C 307030175 345765497 /nfs/dbraw/zinc/76/54/97/345765497.db2.gz NIBUUDODKKFSBL-ZJUUUORDSA-N 1 0 168.284 1.150 10 30 ADEERO C=C(C)C[NH2+][C@H]1CC[NH2+]C[C@@H]1C 307030173 345765848 /nfs/dbraw/zinc/76/58/48/345765848.db2.gz NIBUUDODKKFSBL-UWVGGRQHSA-N 1 0 168.284 1.150 10 30 ADEERO CC1(C)[C@H]2C[N@H+](CCS)C[C@H]21 307030048 345765873 /nfs/dbraw/zinc/76/58/73/345765873.db2.gz OWSFIAURDBFRKR-OCAPTIKFSA-N 1 0 171.309 1.504 10 30 ADEERO C#C[C@H](C)[NH2+][C@H]1COCC1(C)C 307030549 345766153 /nfs/dbraw/zinc/76/61/53/345766153.db2.gz NQCZYLNGORNJKF-IUCAKERBSA-N 1 0 167.252 1.023 10 30 ADEERO C#C[C@H](C)[NH2+][C@@H]1COCC1(C)C 307030548 345766178 /nfs/dbraw/zinc/76/61/78/345766178.db2.gz NQCZYLNGORNJKF-DTWKUNHWSA-N 1 0 167.252 1.023 10 30 ADEERO C#C[C@@H](C)[NH2+][C@H]1COCC1(C)C 307030547 345766201 /nfs/dbraw/zinc/76/62/01/345766201.db2.gz NQCZYLNGORNJKF-BDAKNGLRSA-N 1 0 167.252 1.023 10 30 ADEERO C#C[C@@H](C)[NH2+][C@@H]1COCC1(C)C 307030550 345766352 /nfs/dbraw/zinc/76/63/52/345766352.db2.gz NQCZYLNGORNJKF-RKDXNWHRSA-N 1 0 167.252 1.023 10 30 ADEERO C=CCC(=O)N[C@H]1[C@H](C)[NH2+]CC[C@H]1C 307032960 345767306 /nfs/dbraw/zinc/76/73/06/345767306.db2.gz QQDXUUZOYOIRLL-WCABBAIRSA-N 1 0 196.294 1.065 10 30 ADEERO C=CCC(=O)N[C@@H]1[C@H](C)CC[NH2+][C@@H]1C 307032958 345767337 /nfs/dbraw/zinc/76/73/37/345767337.db2.gz QQDXUUZOYOIRLL-FXPVBKGRSA-N 1 0 196.294 1.065 10 30 ADEERO C=CCC(=O)N[C@@H]1[C@@H](C)CC[NH2+][C@H]1C 307032956 345767377 /nfs/dbraw/zinc/76/73/77/345767377.db2.gz QQDXUUZOYOIRLL-ATZCPNFKSA-N 1 0 196.294 1.065 10 30 ADEERO C[C@H]1C[N@H+](CC=O)C(C)(C)C1 307033361 345767872 /nfs/dbraw/zinc/76/78/72/345767872.db2.gz SNJMLFADOPNLRY-MRVPVSSYSA-N 1 0 155.241 1.306 10 30 ADEERO C=C(C)CC[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 307034968 345768231 /nfs/dbraw/zinc/76/82/31/345768231.db2.gz WGUJMYSBYNZEEJ-NEPJUHHUSA-N 1 0 194.322 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1.534 10 30 ADEERO CC(C)(C)C#CCC1C[NH2+]C1 307475864 346063188 /nfs/dbraw/zinc/06/31/88/346063188.db2.gz YYSWRJYHRVBKOW-UHFFFAOYSA-N 1 0 151.253 1.645 10 30 ADEERO C[C@@H]1C[C@@H]([NH2+]CCC#N)[C@@H]1C 307475259 346063191 /nfs/dbraw/zinc/06/31/91/346063191.db2.gz BDUMVOHUZOEGRM-IWSPIJDZSA-N 1 0 152.241 1.534 10 30 ADEERO CC#CCCC1(C[NH3+])CCC1 307477150 346064161 /nfs/dbraw/zinc/06/41/61/346064161.db2.gz LZNXWKLDQFEZFG-UHFFFAOYSA-N 1 0 151.253 1.919 10 30 ADEERO CC#CCSC1=[NH+]CC(C)(C)CN1 307477004 346064368 /nfs/dbraw/zinc/06/43/68/346064368.db2.gz CQBJSKPIJFANKH-UHFFFAOYSA-N 1 0 196.319 1.728 10 30 ADEERO C#CCN(C)c1[nH+]c(C)ccc1N 307478020 346064631 /nfs/dbraw/zinc/06/46/31/346064631.db2.gz MWJLXCMSPWYPBY-UHFFFAOYSA-N 1 0 175.235 1.042 10 30 ADEERO C#Cc1c[nH+]c(N)n1C(C)C 307479839 346065767 /nfs/dbraw/zinc/06/57/67/346065767.db2.gz JVFPWRZTOQFBTR-UHFFFAOYSA-N 1 0 149.197 1.028 10 30 ADEERO C#CC[NH2+][C@@H]1CC[C@@H]1CC 307481790 346066825 /nfs/dbraw/zinc/06/68/25/346066825.db2.gz YNMNHKOQPNQKLO-DTWKUNHWSA-N 1 0 137.226 1.398 10 30 ADEERO C#CC[NH2+][C@H]1CC[C@H]1CC 307481788 346066860 /nfs/dbraw/zinc/06/68/60/346066860.db2.gz YNMNHKOQPNQKLO-BDAKNGLRSA-N 1 0 137.226 1.398 10 30 ADEERO C#CC[NH2+][C@H]1CC[C@@H]1CC 307481793 346066862 /nfs/dbraw/zinc/06/68/62/346066862.db2.gz YNMNHKOQPNQKLO-IUCAKERBSA-N 1 0 137.226 1.398 10 30 ADEERO C#CC[NH2+][C@@H]1CC[C@H]1CC 307481795 346067039 /nfs/dbraw/zinc/06/70/39/346067039.db2.gz YNMNHKOQPNQKLO-RKDXNWHRSA-N 1 0 137.226 1.398 10 30 ADEERO C[C@H]1[NH2+]CCC[C@H]1C(=O)C1=COCC1 307483215 346067284 /nfs/dbraw/zinc/06/72/84/346067284.db2.gz SMJHREXRKARZMQ-PSASIEDQSA-N 1 0 195.262 1.248 10 30 ADEERO C[C@H]1[NH2+]CCC[C@@H]1C(=O)C1=COCC1 307483227 346067242 /nfs/dbraw/zinc/06/72/42/346067242.db2.gz SMJHREXRKARZMQ-SCZZXKLOSA-N 1 0 195.262 1.248 10 30 ADEERO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)C1=COCC1 307483247 346067356 /nfs/dbraw/zinc/06/73/56/346067356.db2.gz SMJHREXRKARZMQ-WPRPVWTQSA-N 1 0 195.262 1.248 10 30 ADEERO C[C@@H]1[NH2+]CCC[C@H]1C(=O)C1=COCC1 307483236 346067358 /nfs/dbraw/zinc/06/73/58/346067358.db2.gz SMJHREXRKARZMQ-WCBMZHEXSA-N 1 0 195.262 1.248 10 30 ADEERO C#CC[C@@H]([NH3+])c1ccc2c(n1)CCC2 307484550 346068139 /nfs/dbraw/zinc/06/81/39/346068139.db2.gz BACNLJQFONDWLE-SNVBAGLBSA-N 1 0 186.258 1.593 10 30 ADEERO C#C[C@H](C)[NH2+][C@@H]1CCC[C@H](C#N)C1 307484434 346068159 /nfs/dbraw/zinc/06/81/59/346068159.db2.gz ASCCEGHDBVHGTJ-GARJFASQSA-N 1 0 176.263 1.680 10 30 ADEERO C#C[C@H](C)[NH2+][C@H]1CCC[C@H](C#N)C1 307484433 346068164 /nfs/dbraw/zinc/06/81/64/346068164.db2.gz ASCCEGHDBVHGTJ-DCAQKATOSA-N 1 0 176.263 1.680 10 30 ADEERO C#C[C@H](C)[NH2+][C@@H]1CCC[C@@H](C#N)C1 307484435 346068187 /nfs/dbraw/zinc/06/81/87/346068187.db2.gz ASCCEGHDBVHGTJ-HBNTYKKESA-N 1 0 176.263 1.680 10 30 ADEERO C#CC/C=C1\CCC[NH2+][C@@H]1C 307484279 346068263 /nfs/dbraw/zinc/06/82/63/346068263.db2.gz BFDBTXUVHBHLME-ZFZMKPAXSA-N 1 0 149.237 1.708 10 30 ADEERO C#C[C@H](C)[NH2+][C@H]1CCC[C@@H](C#N)C1 307484432 346068392 /nfs/dbraw/zinc/06/83/92/346068392.db2.gz ASCCEGHDBVHGTJ-AXFHLTTASA-N 1 0 176.263 1.680 10 30 ADEERO C#CC/C=C1\CCC[NH2+][C@H]1C 307484277 346068410 /nfs/dbraw/zinc/06/84/10/346068410.db2.gz BFDBTXUVHBHLME-CMWXKVOJSA-N 1 0 149.237 1.708 10 30 ADEERO C=CCS[C@H]1CC[NH2+]C1 307485479 346068752 /nfs/dbraw/zinc/06/87/52/346068752.db2.gz UPVWQJNMPGAXLF-ZETCQYMHSA-N 1 0 143.255 1.268 10 30 ADEERO C=CCS[C@@H]1CC[NH2+]C1 307485478 346068893 /nfs/dbraw/zinc/06/88/93/346068893.db2.gz UPVWQJNMPGAXLF-SSDOTTSWSA-N 1 0 143.255 1.268 10 30 ADEERO CC(=[NH2+])NCc1ccc(C)n1C 307486815 346069209 /nfs/dbraw/zinc/06/92/09/346069209.db2.gz BPMXTBULETYVBX-UHFFFAOYSA-N 1 0 165.240 1.211 10 30 ADEERO CN/C(=[NH+]/C)N1[C@H](C)CCC[C@H]1C 307487412 346069714 /nfs/dbraw/zinc/06/97/14/346069714.db2.gz CCTPYJKKVVRDAA-RKDXNWHRSA-N 1 0 183.299 1.455 10 30 ADEERO N#C[C@H]1CCC[C@@H]([NH2+][C@@H]2C[C@H]2CO)C1 307487539 346069742 /nfs/dbraw/zinc/06/97/42/346069742.db2.gz CWEYLPIDESYAMD-UKKRHICBSA-N 1 0 194.278 1.039 10 30 ADEERO N#C[C@@H]1CCC[C@@H]([NH2+][C@@H]2C[C@H]2CO)C1 307487538 346069768 /nfs/dbraw/zinc/06/97/68/346069768.db2.gz CWEYLPIDESYAMD-LMLFDSFASA-N 1 0 194.278 1.039 10 30 ADEERO CC(C)=CC(=O)[C@@H]1CC[C@H](C)[NH2+]C1 307488380 346070129 /nfs/dbraw/zinc/07/01/29/346070129.db2.gz DOHXFZOOLNLDPU-VHSXEESVSA-N 1 0 181.279 1.910 10 30 ADEERO CC(C)=CC(=O)[C@H]1CC[C@@H](C)[NH2+]C1 307488381 346070166 /nfs/dbraw/zinc/07/01/66/346070166.db2.gz DOHXFZOOLNLDPU-ZJUUUORDSA-N 1 0 181.279 1.910 10 30 ADEERO C/C=C/CS/C(NC)=[NH+]\C 307487974 346070206 /nfs/dbraw/zinc/07/02/06/346070206.db2.gz DBGLVELHLWPCFL-SNAWJCMRSA-N 1 0 158.270 1.501 10 30 ADEERO CC(C)=CC(=O)[C@H]1CC[C@H](C)[NH2+]C1 307488379 346070262 /nfs/dbraw/zinc/07/02/62/346070262.db2.gz DOHXFZOOLNLDPU-UWVGGRQHSA-N 1 0 181.279 1.910 10 30 ADEERO CC(C)=CC(=O)[C@@H]1CC[C@@H](C)[NH2+]C1 307488378 346070292 /nfs/dbraw/zinc/07/02/92/346070292.db2.gz DOHXFZOOLNLDPU-NXEZZACHSA-N 1 0 181.279 1.910 10 30 ADEERO C=CCSc1cccc(NN)[nH+]1 307489079 346070671 /nfs/dbraw/zinc/07/06/71/346070671.db2.gz FBHAFOXDWQRVIE-UHFFFAOYSA-N 1 0 181.264 1.645 10 30 ADEERO Cc1c[nH+]ccc1-n1cc(C#N)cn1 307491116 346071785 /nfs/dbraw/zinc/07/17/85/346071785.db2.gz HGGTZZOHXNTXBV-UHFFFAOYSA-N 1 0 184.202 1.447 10 30 ADEERO CC(C)(C)NC(=[NH+]N)[C@]1(C)C[C@@H]1F 307492696 346072783 /nfs/dbraw/zinc/07/27/83/346072783.db2.gz HRDJAHIWPYRIBT-IMTBSYHQSA-N 1 0 187.262 1.395 10 30 ADEERO CC(C)(C)NC(=[NH+]N)[C@]1(C)C[C@H]1F 307492693 346072894 /nfs/dbraw/zinc/07/28/94/346072894.db2.gz HRDJAHIWPYRIBT-HZGVNTEJSA-N 1 0 187.262 1.395 10 30 ADEERO C#C[C@H]([NH2+]C)c1cc(C)cc(C)n1 307494719 346074052 /nfs/dbraw/zinc/07/40/52/346074052.db2.gz BTPAIEUOKSOQOD-JTQLQIEISA-N 1 0 174.247 1.592 10 30 ADEERO C#C[C@@H]([NH2+]C)c1cc(C)cc(C)n1 307494722 346074186 /nfs/dbraw/zinc/07/41/86/346074186.db2.gz BTPAIEUOKSOQOD-SNVBAGLBSA-N 1 0 174.247 1.592 10 30 ADEERO CC#CCN(C)Cc1cccc(N)n1 307494924 346074278 /nfs/dbraw/zinc/07/42/78/346074278.db2.gz HWAWHDZYQALRJM-UHFFFAOYSA-N 1 0 189.262 1.119 10 30 ADEERO N#CC1(Cc2ccco2)CC[NH2+]CC1 307496761 346075121 /nfs/dbraw/zinc/07/51/21/346075121.db2.gz KBOFRUMZDPBVHY-UHFFFAOYSA-N 1 0 190.246 1.715 10 30 ADEERO CC(C)[C@@H]([NH3+])C#Cc1ccc[nH]1 307498104 346075411 /nfs/dbraw/zinc/07/54/11/346075411.db2.gz PIFOFISGNMZMFV-JTQLQIEISA-N 1 0 162.236 1.350 10 30 ADEERO CC(C)[C@H]([NH3+])C#Cc1ccc[nH]1 307498106 346075428 /nfs/dbraw/zinc/07/54/28/346075428.db2.gz PIFOFISGNMZMFV-SNVBAGLBSA-N 1 0 162.236 1.350 10 30 ADEERO C#C[C@H]([NH3+])c1cccc(OC)c1F 307498454 346075874 /nfs/dbraw/zinc/07/58/74/346075874.db2.gz KTANBSDXTWTPEX-QMMMGPOBSA-N 1 0 179.194 1.467 10 30 ADEERO C#C[C@@H]([NH3+])c1cccc(OC)c1F 307498452 346075899 /nfs/dbraw/zinc/07/58/99/346075899.db2.gz KTANBSDXTWTPEX-MRVPVSSYSA-N 1 0 179.194 1.467 10 30 ADEERO N#C[C@]1(C2CC2)CCC[NH2+]C1 307499623 346076260 /nfs/dbraw/zinc/07/62/60/346076260.db2.gz RLXVURRTDDZJQI-SECBINFHSA-N 1 0 150.225 1.290 10 30 ADEERO N#C[C@@]1(C2CC2)CCC[NH2+]C1 307499624 346076494 /nfs/dbraw/zinc/07/64/94/346076494.db2.gz RLXVURRTDDZJQI-VIFPVBQESA-N 1 0 150.225 1.290 10 30 ADEERO SCC[NH+]1C2CCC1CC2 307501425 346077359 /nfs/dbraw/zinc/07/73/59/346077359.db2.gz NETYCYMJJMZXMS-UHFFFAOYSA-N 1 0 157.282 1.543 10 30 ADEERO C#CC[NH2+][C@@H]1CCCC12CCC2 307502986 346078394 /nfs/dbraw/zinc/07/83/94/346078394.db2.gz JHPVIYPYOFICMK-SNVBAGLBSA-N 1 0 163.264 1.932 10 30 ADEERO C=CCC1(C#N)CC[NH2+]CC1 307503238 346078404 /nfs/dbraw/zinc/07/84/04/346078404.db2.gz WZBLXWLFHQSAKT-UHFFFAOYSA-N 1 0 150.225 1.456 10 30 ADEERO C[NH2+]C[C@@H](C#N)C(C)(C)C 307504211 346078798 /nfs/dbraw/zinc/07/87/98/346078798.db2.gz PGEYDWYURJLNRF-SSDOTTSWSA-N 1 0 140.230 1.392 10 30 ADEERO C[NH2+]C[C@H](C#N)C(C)(C)C 307504216 346078915 /nfs/dbraw/zinc/07/89/15/346078915.db2.gz PGEYDWYURJLNRF-ZETCQYMHSA-N 1 0 140.230 1.392 10 30 ADEERO C#CC[NH2+][C@@H]1C[C@@]1(C)CC 307505873 346079769 /nfs/dbraw/zinc/07/97/69/346079769.db2.gz QPOVKRIQZSEJHI-RKDXNWHRSA-N 1 0 137.226 1.398 10 30 ADEERO C#CC[NH2+][C@H]1C[C@]1(C)CC 307505872 346079803 /nfs/dbraw/zinc/07/98/03/346079803.db2.gz QPOVKRIQZSEJHI-IUCAKERBSA-N 1 0 137.226 1.398 10 30 ADEERO C#CC[NH2+][C@H]1C[C@@]1(C)CC 307505871 346079906 /nfs/dbraw/zinc/07/99/06/346079906.db2.gz QPOVKRIQZSEJHI-DTWKUNHWSA-N 1 0 137.226 1.398 10 30 ADEERO C#CC[NH2+][C@@H]1C[C@]1(C)CC 307505870 346080037 /nfs/dbraw/zinc/08/00/37/346080037.db2.gz QPOVKRIQZSEJHI-BDAKNGLRSA-N 1 0 137.226 1.398 10 30 ADEERO CC1(C)C[N@H+](CCS)CC[C@@H]1O 307507019 346080350 /nfs/dbraw/zinc/08/03/50/346080350.db2.gz MDCXAXLUVWDQGK-QMMMGPOBSA-N 1 0 189.324 1.009 10 30 ADEERO CC1(C)C[N@H+](CCS)CC[C@H]1O 307507016 346080424 /nfs/dbraw/zinc/08/04/24/346080424.db2.gz MDCXAXLUVWDQGK-MRVPVSSYSA-N 1 0 189.324 1.009 10 30 ADEERO C/C=C/C[C@@]1(C#N)CCC[NH2+]C1 307510169 346081819 /nfs/dbraw/zinc/08/18/19/346081819.db2.gz KLBONAYCLBFKRI-PBKGFPTLSA-N 1 0 164.252 1.846 10 30 ADEERO C[C@H]1CC[N@H+](CCS)CCS1 307510238 346082482 /nfs/dbraw/zinc/08/24/82/346082482.db2.gz BMRQLLHBZQKLDN-QMMMGPOBSA-N 1 0 191.365 1.744 10 30 ADEERO C[C@@H]1CC[N@H+](CCS)CCS1 307510234 346082573 /nfs/dbraw/zinc/08/25/73/346082573.db2.gz BMRQLLHBZQKLDN-MRVPVSSYSA-N 1 0 191.365 1.744 10 30 ADEERO C/C=C/C[C@]1(C#N)CCC[NH2+]C1 307510171 346082597 /nfs/dbraw/zinc/08/25/97/346082597.db2.gz KLBONAYCLBFKRI-VMZHVLLKSA-N 1 0 164.252 1.846 10 30 ADEERO CC[C@@](C)([NH3+])C#Cc1ccc[nH]1 307510883 346082907 /nfs/dbraw/zinc/08/29/07/346082907.db2.gz BVYWVIXXBHVNIM-SNVBAGLBSA-N 1 0 162.236 1.494 10 30 ADEERO CC[C@](C)([NH3+])C#Cc1ccc[nH]1 307510878 346083142 /nfs/dbraw/zinc/08/31/42/346083142.db2.gz BVYWVIXXBHVNIM-JTQLQIEISA-N 1 0 162.236 1.494 10 30 ADEERO CC#C[C@@](C)(F)C[C@H]1CCC[NH2+]1 307512380 346083471 /nfs/dbraw/zinc/08/34/71/346083471.db2.gz CPJOGMLFLYIDCF-NXEZZACHSA-N 1 0 169.243 1.880 10 30 ADEERO CC#C[C@](C)(F)C[C@H]1CCC[NH2+]1 307512395 346083643 /nfs/dbraw/zinc/08/36/43/346083643.db2.gz CPJOGMLFLYIDCF-ZJUUUORDSA-N 1 0 169.243 1.880 10 30 ADEERO CC#C[C@](C)(F)C[C@@H]1CCC[NH2+]1 307512385 346083647 /nfs/dbraw/zinc/08/36/47/346083647.db2.gz CPJOGMLFLYIDCF-UWVGGRQHSA-N 1 0 169.243 1.880 10 30 ADEERO CC#C[C@@](C)(F)C[C@@H]1CCC[NH2+]1 307512390 346083660 /nfs/dbraw/zinc/08/36/60/346083660.db2.gz CPJOGMLFLYIDCF-VHSXEESVSA-N 1 0 169.243 1.880 10 30 ADEERO C#CC[C@]1(C[NH3+])CCC(C)(C)[C@H]1O 307515721 346085698 /nfs/dbraw/zinc/08/56/98/346085698.db2.gz UMCITKXOQPCYDJ-MWLCHTKSSA-N 1 0 181.279 1.136 10 30 ADEERO C#CC[C@@]1(C[NH3+])CCC(C)(C)[C@@H]1O 307515723 346085734 /nfs/dbraw/zinc/08/57/34/346085734.db2.gz UMCITKXOQPCYDJ-ONGXEEELSA-N 1 0 181.279 1.136 10 30 ADEERO C#CC[C@@]1(C[NH3+])CCC(C)(C)[C@H]1O 307515719 346085808 /nfs/dbraw/zinc/08/58/08/346085808.db2.gz UMCITKXOQPCYDJ-KOLCDFICSA-N 1 0 181.279 1.136 10 30 ADEERO [NH2+]=C(Nc1nccs1)NC1CC1 307516805 346086742 /nfs/dbraw/zinc/08/67/42/346086742.db2.gz HUWHVAYWIJYWGG-UHFFFAOYSA-N 1 0 182.252 1.032 10 30 ADEERO C[C@H]1C[C@@H](C)C[N@@H+](C(C)(C)C=O)C1 307520539 346088780 /nfs/dbraw/zinc/08/87/80/346088780.db2.gz XVPNARYLHKEWFS-AOOOYVTPSA-N 1 0 183.295 1.942 10 30 ADEERO C[C@H]1C[C@H](C)C[NH+](C(C)(C)C=O)C1 307520541 346089234 /nfs/dbraw/zinc/08/92/34/346089234.db2.gz XVPNARYLHKEWFS-UWVGGRQHSA-N 1 0 183.295 1.942 10 30 ADEERO C=C(C)[C@H]([NH3+])c1ccc(C)nn1 307520586 346089251 /nfs/dbraw/zinc/08/92/51/346089251.db2.gz YCOSYHCAXPUSIE-VIFPVBQESA-N 1 0 163.224 1.361 10 30 ADEERO C=C(C)[C@@H]([NH3+])c1ccc(C)nn1 307520585 346089266 /nfs/dbraw/zinc/08/92/66/346089266.db2.gz YCOSYHCAXPUSIE-SECBINFHSA-N 1 0 163.224 1.361 10 30 ADEERO CC[C@@](C)(C=O)[NH+]1CCCC1 307523425 346090349 /nfs/dbraw/zinc/09/03/49/346090349.db2.gz IKBDBRUHHGLRJM-VIFPVBQESA-N 1 0 155.241 1.450 10 30 ADEERO CC[C@](C)(C=O)[NH+]1CCCC1 307523422 346090425 /nfs/dbraw/zinc/09/04/25/346090425.db2.gz IKBDBRUHHGLRJM-SECBINFHSA-N 1 0 155.241 1.450 10 30 ADEERO CC#CCC1(C[NH3+])CCOCC1 307527404 346092652 /nfs/dbraw/zinc/09/26/52/346092652.db2.gz KXIVDEABWWSGFW-UHFFFAOYSA-N 1 0 167.252 1.155 10 30 ADEERO C#Cc1cccc(C[NH2+]C)c1 307529245 346093862 /nfs/dbraw/zinc/09/38/62/346093862.db2.gz UMZIWKUWBKNVGV-UHFFFAOYSA-N 1 0 145.205 1.387 10 30 ADEERO C#Cc1cc(C)ccc1C[NH2+]C 307529785 346094287 /nfs/dbraw/zinc/09/42/87/346094287.db2.gz PEEFRZVHWXZQIM-UHFFFAOYSA-N 1 0 159.232 1.696 10 30 ADEERO N#Cc1cc(F)ccc1NC(N)=[NH2+] 307531037 346094704 /nfs/dbraw/zinc/09/47/04/346094704.db2.gz SOTNFPYNODRTGX-UHFFFAOYSA-N 1 0 178.170 1.003 10 30 ADEERO C#C[C@H](C)[NH2+][C@@H]1CCC(F)(F)C1 307533144 346095783 /nfs/dbraw/zinc/09/57/83/346095783.db2.gz ASPXDVNUXVSFPL-JGVFFNPUSA-N 1 0 173.206 1.786 10 30 ADEERO C#C[C@@H](C)[NH2+][C@H]1CCC(F)(F)C1 307533148 346095830 /nfs/dbraw/zinc/09/58/30/346095830.db2.gz ASPXDVNUXVSFPL-SFYZADRCSA-N 1 0 173.206 1.786 10 30 ADEERO Cc1cocc1C#C[C@H](C)[NH3+] 307616958 346149812 /nfs/dbraw/zinc/14/98/12/346149812.db2.gz UTKAPFVCDSYYOM-QMMMGPOBSA-N 1 0 149.193 1.287 10 30 ADEERO C#C[C@H](C)[NH2+][C@H]1CCC(F)(F)C1 307533153 346095995 /nfs/dbraw/zinc/09/59/95/346095995.db2.gz ASPXDVNUXVSFPL-YUMQZZPRSA-N 1 0 173.206 1.786 10 30 ADEERO C#C[C@@H](C)[NH2+][C@@H]1CCC(F)(F)C1 307533140 346096039 /nfs/dbraw/zinc/09/60/39/346096039.db2.gz ASPXDVNUXVSFPL-HTQZYQBOSA-N 1 0 173.206 1.786 10 30 ADEERO C=C(C)[C@@H](F)[C@H](C)C[NH3+] 307534409 346096917 /nfs/dbraw/zinc/09/69/17/346096917.db2.gz PMVUAEJNPIFDPT-RNFRBKRXSA-N 1 0 131.194 1.495 10 30 ADEERO C=C(C)[C@H](F)[C@H](C)C[NH3+] 307534410 346096959 /nfs/dbraw/zinc/09/69/59/346096959.db2.gz PMVUAEJNPIFDPT-RQJHMYQMSA-N 1 0 131.194 1.495 10 30 ADEERO C=C(C)[C@H](F)[C@@H](C)C[NH3+] 307534407 346097021 /nfs/dbraw/zinc/09/70/21/346097021.db2.gz PMVUAEJNPIFDPT-BQBZGAKWSA-N 1 0 131.194 1.495 10 30 ADEERO C=C(C)[C@@H](F)[C@@H](C)C[NH3+] 307534408 346097125 /nfs/dbraw/zinc/09/71/25/346097125.db2.gz PMVUAEJNPIFDPT-NKWVEPMBSA-N 1 0 131.194 1.495 10 30 ADEERO C[C@H](CC#N)N1CCCC[C@@H](C[NH3+])C1 307536243 346098182 /nfs/dbraw/zinc/09/81/82/346098182.db2.gz SNQLMZWPJFKCHU-MNOVXSKESA-N 1 0 195.310 1.349 10 30 ADEERO C[C@@H]1C[C@H]([NH2+]CCC#N)[C@@H](C)O1 307536626 346098217 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C#C[C@H]([NH3+])[C@@H]1CCCC[C@H]1C 307591809 346133650 /nfs/dbraw/zinc/13/36/50/346133650.db2.gz HQQZQJOHLQWBGX-BBBLOLIVSA-N 1 0 151.253 1.773 10 30 ADEERO C#C[C@H]([NH3+])[C@H]1CCCC[C@@H]1C 307591812 346133786 /nfs/dbraw/zinc/13/37/86/346133786.db2.gz HQQZQJOHLQWBGX-GUBZILKMSA-N 1 0 151.253 1.773 10 30 ADEERO C#C[C@H]([NH3+])[C@@H]1CCCC[C@@H]1C 307591806 346133789 /nfs/dbraw/zinc/13/37/89/346133789.db2.gz HQQZQJOHLQWBGX-AEJSXWLSSA-N 1 0 151.253 1.773 10 30 ADEERO C[C@H]1OCC[C@H]1[NH2+][C@H]1CC[C@H](C#N)C1 307591980 346134125 /nfs/dbraw/zinc/13/41/25/346134125.db2.gz CVAUCGKJKWXKDC-VPOLOUISSA-N 1 0 194.278 1.446 10 30 ADEERO C[C@H]1OCC[C@H]1[NH2+][C@@H]1CC[C@@H](C#N)C1 307591977 346134437 /nfs/dbraw/zinc/13/44/37/346134437.db2.gz CVAUCGKJKWXKDC-GWOFURMSSA-N 1 0 194.278 1.446 10 30 ADEERO [NH3+]CC/C=C/C#Cc1ccccc1 307595535 346136134 /nfs/dbraw/zinc/13/61/34/346136134.db2.gz KJZHFZHVSCLAFG-OWOJBTEDSA-N 1 0 171.243 1.943 10 30 ADEERO COC[C@@H]([NH3+])C#Cc1ccccc1 307596399 346136215 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CC(C)(C=O)[NH+]1C[C@@H]2CCC[C@H]2C1 307601107 346139576 /nfs/dbraw/zinc/13/95/76/346139576.db2.gz RTRYTZPJGIDVKO-UWVGGRQHSA-N 1 0 181.279 1.696 10 30 ADEERO C=C[C@@H]([NH3+])C1CC(F)(F)C1 307600764 346139662 /nfs/dbraw/zinc/13/96/62/346139662.db2.gz RLJAJYPAUUDKRY-ZCFIWIBFSA-N 1 0 147.168 1.545 10 30 ADEERO CC(C)(C=O)[NH+]1C[C@H]2CCC[C@@H]2C1 307601106 346139734 /nfs/dbraw/zinc/13/97/34/346139734.db2.gz RTRYTZPJGIDVKO-NXEZZACHSA-N 1 0 181.279 1.696 10 30 ADEERO CC(C)[N@H+](C)C(C)(C)C=O 307603946 346141351 /nfs/dbraw/zinc/14/13/51/346141351.db2.gz UYFALECKRIPJIP-UHFFFAOYSA-N 1 0 143.230 1.304 10 30 ADEERO CC[C@@H]1[C@H](C)CCN1/C(NC)=[NH+]/C 307605106 346142249 /nfs/dbraw/zinc/14/22/49/346142249.db2.gz XSBBIOUDVJGLLZ-RKDXNWHRSA-N 1 0 183.299 1.312 10 30 ADEERO CC[C@@H]1[C@@H](C)CCN1/C(NC)=[NH+]/C 307605104 346142360 /nfs/dbraw/zinc/14/23/60/346142360.db2.gz XSBBIOUDVJGLLZ-DTWKUNHWSA-N 1 0 183.299 1.312 10 30 ADEERO CC(=[NH2+])NCc1cccc(Cl)n1 307606152 346142686 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C=CC[C@@H]1CCN(C(=O)C[C@H](C)[NH3+])C1 638471353 347482421 /nfs/dbraw/zinc/48/24/21/347482421.db2.gz CUYYXBRQHCQLBG-VHSXEESVSA-N 1 0 196.294 1.148 10 30 ADEERO C=CC(C)(C)CCNC(=O)[C@@H](C)[NH2+]C 638455107 347482425 /nfs/dbraw/zinc/48/24/25/347482425.db2.gz QGSGPSWSMISXCH-SECBINFHSA-N 1 0 198.310 1.313 10 30 ADEERO C=CC(C)(C)CCNC(=O)[C@H](C)[NH2+]C 638455108 347482457 /nfs/dbraw/zinc/48/24/57/347482457.db2.gz QGSGPSWSMISXCH-VIFPVBQESA-N 1 0 198.310 1.313 10 30 ADEERO C=CC(C)(C)CCNC(=O)[C@H]1CC[NH2+]1 638455374 347482464 /nfs/dbraw/zinc/48/24/64/347482464.db2.gz VKAQIIGSPANVII-SECBINFHSA-N 1 0 196.294 1.067 10 30 ADEERO C=CC[C@H]1CCN(C(=O)C[C@H](C)[NH3+])C1 638471352 347482469 /nfs/dbraw/zinc/48/24/69/347482469.db2.gz CUYYXBRQHCQLBG-UWVGGRQHSA-N 1 0 196.294 1.148 10 30 ADEERO C=CC(C)(C)CCNC(=O)[C@@H](C)C[NH3+] 638454788 347482475 /nfs/dbraw/zinc/48/24/75/347482475.db2.gz KGCZDKLSUVSMNH-VIFPVBQESA-N 1 0 198.310 1.300 10 30 ADEERO C=CC[C@@H]1CCN(C(=O)C[C@@H](C)[NH3+])C1 638471351 347482493 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196.294 1.019 10 30 ADEERO C=CC[C@@H]1CCN(C(=O)CCC[NH3+])C1 638472145 347482868 /nfs/dbraw/zinc/48/28/68/347482868.db2.gz PCGVOOXLRJTKLV-SNVBAGLBSA-N 1 0 196.294 1.150 10 30 ADEERO C=CC[C@H]1CCN(C(=O)[C@@H](C)[NH2+]C)C1 638471530 347482992 /nfs/dbraw/zinc/48/29/92/347482992.db2.gz HCAWPZSARNJWMI-ZJUUUORDSA-N 1 0 196.294 1.019 10 30 ADEERO C=CC[C@@H]1CCN(C(=O)[C@@H](C)[NH2+]C)C1 638471527 347483046 /nfs/dbraw/zinc/48/30/46/347483046.db2.gz HCAWPZSARNJWMI-NXEZZACHSA-N 1 0 196.294 1.019 10 30 ADEERO C=CC[C@@H]1CCN(C(=O)CC[NH2+]C)C1 638471660 347483098 /nfs/dbraw/zinc/48/30/98/347483098.db2.gz KLKADVRSDPWHRJ-SNVBAGLBSA-N 1 0 196.294 1.021 10 30 ADEERO C=CC[C@H]1CCN(C(=O)[C@H](C)[NH2+]C)C1 638471528 347483143 /nfs/dbraw/zinc/48/31/43/347483143.db2.gz HCAWPZSARNJWMI-UWVGGRQHSA-N 1 0 196.294 1.019 10 30 ADEERO C=CCCC(=O)N[C@@H]1CC[NH2+][C@H]1CC 638571471 347485836 /nfs/dbraw/zinc/48/58/36/347485836.db2.gz LRBMWHOWDQDVDK-VHSXEESVSA-N 1 0 196.294 1.209 10 30 ADEERO 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0 151.253 1.645 10 30 ADEERO C[C@H]1CC[C@H](C)[NH+]1CCC=O 575575537 352752356 /nfs/dbraw/zinc/75/23/56/352752356.db2.gz AXWDKYKEXDTFGY-IUCAKERBSA-N 1 0 155.241 1.448 10 30 ADEERO C#CC[C@@H](O)[C@H]1CCCCC[C@H]1[NH3+] 575575578 352752403 /nfs/dbraw/zinc/75/24/03/352752403.db2.gz BTOLOZJIUFTINH-HBNTYKKESA-N 1 0 181.279 1.278 10 30 ADEERO CC#CC[NH2+]C[C@]1(C)C[C@H]1C 575575551 352752425 /nfs/dbraw/zinc/75/24/25/352752425.db2.gz HPKUIOKTRHHHOX-ZJUUUORDSA-N 1 0 151.253 1.645 10 30 ADEERO CC#CC[NH2+]C[C@]1(C)C[C@@H]1C 575575548 352752526 /nfs/dbraw/zinc/75/25/26/352752526.db2.gz HPKUIOKTRHHHOX-UWVGGRQHSA-N 1 0 151.253 1.645 10 30 ADEERO CC#CC[NH2+]C[C@@]1(C)C[C@@H]1C 575575550 352752531 /nfs/dbraw/zinc/75/25/31/352752531.db2.gz HPKUIOKTRHHHOX-VHSXEESVSA-N 1 0 151.253 1.645 10 30 ADEERO C[C@@H]1CC[C@@H](C)[NH+]1CCC=O 575575538 352752636 /nfs/dbraw/zinc/75/26/36/352752636.db2.gz AXWDKYKEXDTFGY-RKDXNWHRSA-N 1 0 155.241 1.448 10 30 ADEERO C#CC[NH2+][C@@H]1[C@H](C)O[C@@H](C)[C@@H]1C 575575812 352753773 /nfs/dbraw/zinc/75/37/73/352753773.db2.gz FIWOCJZIJGPMPY-XKNYDFJKSA-N 1 0 167.252 1.021 10 30 ADEERO C#CC[NH2+][C@@H]1[C@H](C)O[C@H](C)[C@@H]1C 575575807 352753795 /nfs/dbraw/zinc/75/37/95/352753795.db2.gz FIWOCJZIJGPMPY-JXUBOQSCSA-N 1 0 167.252 1.021 10 30 ADEERO C#CC[NH2+][C@@H]1[C@H](C)O[C@@H](C)[C@H]1C 575575809 352753956 /nfs/dbraw/zinc/75/39/56/352753956.db2.gz FIWOCJZIJGPMPY-KATARQTJSA-N 1 0 167.252 1.021 10 30 ADEERO C#CC[NH2+][C@@H]1[C@H](C)O[C@H](C)[C@H]1C 575575805 352754003 /nfs/dbraw/zinc/75/40/03/352754003.db2.gz FIWOCJZIJGPMPY-IMSYWVGJSA-N 1 0 167.252 1.021 10 30 ADEERO C#CCC[NH2+][C@]1(C)C[C@H]1C 575576013 352754570 /nfs/dbraw/zinc/75/45/70/352754570.db2.gz PBALRXHDNWZNCE-RKDXNWHRSA-N 1 0 137.226 1.398 10 30 ADEERO C[C@H]1CC[N@@H+]1CC(C)(C)C=O 575576009 352754585 /nfs/dbraw/zinc/75/45/85/352754585.db2.gz IEWUHJZKHMITBQ-QMMMGPOBSA-N 1 0 155.241 1.306 10 30 ADEERO C#CCC[NH2+][C@@]1(C)C[C@@H]1C 575576010 352754679 /nfs/dbraw/zinc/75/46/79/352754679.db2.gz PBALRXHDNWZNCE-IUCAKERBSA-N 1 0 137.226 1.398 10 30 ADEERO CC#CC[NH2+][C@]1(C)C[C@@H]1C 575575983 352754696 /nfs/dbraw/zinc/75/46/96/352754696.db2.gz ORVBPICUYYJKOG-DTWKUNHWSA-N 1 0 137.226 1.398 10 30 ADEERO C#CCC[NH2+][C@]1(C)C[C@@H]1C 575576008 352754700 /nfs/dbraw/zinc/75/47/00/352754700.db2.gz PBALRXHDNWZNCE-DTWKUNHWSA-N 1 0 137.226 1.398 10 30 ADEERO C#CCC[NH2+][C@@]1(C)C[C@H]1C 575576005 352754724 /nfs/dbraw/zinc/75/47/24/352754724.db2.gz PBALRXHDNWZNCE-BDAKNGLRSA-N 1 0 137.226 1.398 10 30 ADEERO C[C@@H]1CC[N@@H+]1CC(C)(C)C=O 575576007 352754773 /nfs/dbraw/zinc/75/47/73/352754773.db2.gz IEWUHJZKHMITBQ-MRVPVSSYSA-N 1 0 155.241 1.306 10 30 ADEERO CC#CC[NH2+][C@@]1(C)C[C@@H]1C 575575984 352754797 /nfs/dbraw/zinc/75/47/97/352754797.db2.gz ORVBPICUYYJKOG-IUCAKERBSA-N 1 0 137.226 1.398 10 30 ADEERO CC#CC[NH2+][C@@]1(C)C[C@H]1C 575575982 352754839 /nfs/dbraw/zinc/75/48/39/352754839.db2.gz ORVBPICUYYJKOG-BDAKNGLRSA-N 1 0 137.226 1.398 10 30 ADEERO C[C@@H]1C[C@@]1(C)[NH2+]CCC#N 575576244 352755467 /nfs/dbraw/zinc/75/54/67/352755467.db2.gz QMBDZGSFQRTNPR-HTQZYQBOSA-N 1 0 138.214 1.288 10 30 ADEERO C=C[C@H](C)[NH2+][C@@]1(C)C[C@@H]1C 575576127 352755484 /nfs/dbraw/zinc/75/54/84/352755484.db2.gz PVISJVHKWNQZGT-CIUDSAMLSA-N 1 0 139.242 1.949 10 30 ADEERO C=C[C@H](C)[NH2+][C@@]1(C)C[C@H]1C 575576130 352755516 /nfs/dbraw/zinc/75/55/16/352755516.db2.gz PVISJVHKWNQZGT-VGMNWLOBSA-N 1 0 139.242 1.949 10 30 ADEERO C[C@H]1C[C@]1(C)[NH2+]CCC#N 575576250 352755649 /nfs/dbraw/zinc/75/56/49/352755649.db2.gz QMBDZGSFQRTNPR-YUMQZZPRSA-N 1 0 138.214 1.288 10 30 ADEERO C[C@@H]1C[C@]1(C)[NH2+]CCC#N 575576248 352755704 /nfs/dbraw/zinc/75/57/04/352755704.db2.gz QMBDZGSFQRTNPR-SFYZADRCSA-N 1 0 138.214 1.288 10 30 ADEERO C[C@H]1C[C@@]1(C)[NH2+]CCC#N 575576246 352755709 /nfs/dbraw/zinc/75/57/09/352755709.db2.gz QMBDZGSFQRTNPR-JGVFFNPUSA-N 1 0 138.214 1.288 10 30 ADEERO C=C[C@H](C)[NH2+][C@]1(C)C[C@@H]1C 575576131 352755728 /nfs/dbraw/zinc/75/57/28/352755728.db2.gz PVISJVHKWNQZGT-XHNCKOQMSA-N 1 0 139.242 1.949 10 30 ADEERO CC#CC[C@H]([NH3+])[C@]1(C)C[C@H]1C 575582065 352785721 /nfs/dbraw/zinc/78/57/21/352785721.db2.gz BZJWBEGNEZCUOW-KXUCPTDWSA-N 1 0 151.253 1.773 10 30 ADEERO C#CC[NH2+][C@]1(C)C[C@H]1C 575576816 352758288 /nfs/dbraw/zinc/75/82/88/352758288.db2.gz OFVTVIJBCLOVPD-HTQZYQBOSA-N 1 0 123.199 1.008 10 30 ADEERO CC#CCC[NH2+][C@@]1(C)C[C@H]1C 575576746 352758310 /nfs/dbraw/zinc/75/83/10/352758310.db2.gz NPZPYILDIXBPAA-ZJUUUORDSA-N 1 0 151.253 1.788 10 30 ADEERO CC#CCC[NH2+][C@]1(C)C[C@H]1C 575576702 352758333 /nfs/dbraw/zinc/75/83/33/352758333.db2.gz NPZPYILDIXBPAA-NXEZZACHSA-N 1 0 151.253 1.788 10 30 ADEERO C=C[C@@H](O)[C@H]1CCCCC[C@H]1[NH3+] 575576690 352758335 /nfs/dbraw/zinc/75/83/35/352758335.db2.gz MEIPYBODDVVBHU-IVZWLZJFSA-N 1 0 169.268 1.441 10 30 ADEERO C#CC[NH2+][C@]1(C)C[C@@H]1C 575576819 352758377 /nfs/dbraw/zinc/75/83/77/352758377.db2.gz OFVTVIJBCLOVPD-JGVFFNPUSA-N 1 0 123.199 1.008 10 30 ADEERO C#CC[NH2+][C@@]1(C)C[C@@H]1C 575576824 352758438 /nfs/dbraw/zinc/75/84/38/352758438.db2.gz OFVTVIJBCLOVPD-YUMQZZPRSA-N 1 0 123.199 1.008 10 30 ADEERO C#CC[NH2+][C@@]1(C)C[C@H]1C 575576821 352758447 /nfs/dbraw/zinc/75/84/47/352758447.db2.gz OFVTVIJBCLOVPD-SFYZADRCSA-N 1 0 123.199 1.008 10 30 ADEERO CC#CCC[NH2+][C@]1(C)C[C@@H]1C 575576733 352758556 /nfs/dbraw/zinc/75/85/56/352758556.db2.gz NPZPYILDIXBPAA-VHSXEESVSA-N 1 0 151.253 1.788 10 30 ADEERO CC#CCC[NH2+][C@@]1(C)C[C@@H]1C 575576730 352758563 /nfs/dbraw/zinc/75/85/63/352758563.db2.gz NPZPYILDIXBPAA-UWVGGRQHSA-N 1 0 151.253 1.788 10 30 ADEERO C/C=C/C(=O)[C@@H]1CCC[NH2+][C@@H]1C 575576902 352758886 /nfs/dbraw/zinc/75/88/86/352758886.db2.gz BKEVAPPBJWZYME-ZZDZINKYSA-N 1 0 167.252 1.520 10 30 ADEERO C#C[C@H](C)[NH2+][C@]1(C)C[C@H]1C 575576968 352758936 /nfs/dbraw/zinc/75/89/36/352758936.db2.gz WJIMCNRHHBZKPH-HRDYMLBCSA-N 1 0 137.226 1.396 10 30 ADEERO C#C[C@H](C)[NH2+][C@@]1(C)C[C@@H]1C 575576955 352758963 /nfs/dbraw/zinc/75/89/63/352758963.db2.gz WJIMCNRHHBZKPH-CIUDSAMLSA-N 1 0 137.226 1.396 10 30 ADEERO C/C=C/C(=O)[C@H]1CCC[NH2+][C@H]1C 575576890 352759047 /nfs/dbraw/zinc/75/90/47/352759047.db2.gz BKEVAPPBJWZYME-KRALRXKRSA-N 1 0 167.252 1.520 10 30 ADEERO C#C[C@H](C)[NH2+][C@@]1(C)C[C@H]1C 575576972 352759126 /nfs/dbraw/zinc/75/91/26/352759126.db2.gz WJIMCNRHHBZKPH-VGMNWLOBSA-N 1 0 137.226 1.396 10 30 ADEERO C/C=C/C(=O)[C@H]1CCC[NH2+][C@@H]1C 575576896 352759149 /nfs/dbraw/zinc/75/91/49/352759149.db2.gz BKEVAPPBJWZYME-ZHBVTVBMSA-N 1 0 167.252 1.520 10 30 ADEERO C/C=C/C(=O)[C@@H]1CCC[NH2+][C@H]1C 575576868 352759218 /nfs/dbraw/zinc/75/92/18/352759218.db2.gz BKEVAPPBJWZYME-AFRAPRFESA-N 1 0 167.252 1.520 10 30 ADEERO C#CCC(=O)C1C[C@@H]2CC[C@H](C1)[NH2+]2 575576933 352759238 /nfs/dbraw/zinc/75/92/38/352759238.db2.gz WEHRAGYGIDVCJK-PBINXNQUSA-N 1 0 177.247 1.109 10 30 ADEERO C#C[C@H](C)[NH2+][C@]1(C)C[C@@H]1C 575576974 352759287 /nfs/dbraw/zinc/75/92/87/352759287.db2.gz WJIMCNRHHBZKPH-XHNCKOQMSA-N 1 0 137.226 1.396 10 30 ADEERO C#C[C@@H](C)[NH2+]C1CCC(C)(O)CC1 575577267 352760515 /nfs/dbraw/zinc/76/05/15/352760515.db2.gz PCAANMQZKHHQMK-KPPDAEKUSA-N 1 0 181.279 1.291 10 30 ADEERO COCC#CC[C@H]([NH3+])C(C)C 575590519 352828050 /nfs/dbraw/zinc/82/80/50/352828050.db2.gz HLBVVUQRSOIBPQ-VIFPVBQESA-N 1 0 155.241 1.010 10 30 ADEERO CC#CC[NH2+]C1CCC(C)(O)CC1 575577846 352763774 /nfs/dbraw/zinc/76/37/74/352763774.db2.gz RMPUZRNXGUVKJH-UHFFFAOYSA-N 1 0 181.279 1.293 10 30 ADEERO C[C@H]1CC[C@@H](C)[N@@H+]1CC=O 575577994 352764440 /nfs/dbraw/zinc/76/44/40/352764440.db2.gz SXXPQIMAMIGLCW-OCAPTIKFSA-N 1 0 141.214 1.058 10 30 ADEERO C[C@H]1CC[C@H](C)[NH+]1CC=O 575577995 352764449 /nfs/dbraw/zinc/76/44/49/352764449.db2.gz SXXPQIMAMIGLCW-YUMQZZPRSA-N 1 0 141.214 1.058 10 30 ADEERO C[C@@H]1CC[C@@H](C)[NH+]1C(C)(C)C=O 575577936 352764489 /nfs/dbraw/zinc/76/44/89/352764489.db2.gz RUXWKSQOJNDGSG-RKDXNWHRSA-N 1 0 169.268 1.837 10 30 ADEERO C[C@H]1CC[C@@H](C)[N@@H+]1C(C)(C)C=O 575577933 352764555 /nfs/dbraw/zinc/76/45/55/352764555.db2.gz RUXWKSQOJNDGSG-DTORHVGOSA-N 1 0 169.268 1.837 10 30 ADEERO C[C@H]1CC[C@H](C)[NH+]1C(C)(C)C=O 575577934 352764696 /nfs/dbraw/zinc/76/46/96/352764696.db2.gz RUXWKSQOJNDGSG-IUCAKERBSA-N 1 0 169.268 1.837 10 30 ADEERO C[C@@H]1CC[C@@H](C)[NH+]1CC=O 575577993 352764808 /nfs/dbraw/zinc/76/48/08/352764808.db2.gz SXXPQIMAMIGLCW-HTQZYQBOSA-N 1 0 141.214 1.058 10 30 ADEERO C#CC[NH2+]C[C@]1(C)C[C@H]1C 575578061 352765260 /nfs/dbraw/zinc/76/52/60/352765260.db2.gz FOQKWWUFINAFDU-BDAKNGLRSA-N 1 0 137.226 1.255 10 30 ADEERO C#CC[NH2+]C[C@@]1(C)C[C@H]1C 575578065 352765282 /nfs/dbraw/zinc/76/52/82/352765282.db2.gz FOQKWWUFINAFDU-RKDXNWHRSA-N 1 0 137.226 1.255 10 30 ADEERO C#CC[NH2+]C[C@@]1(C)C[C@@H]1C 575578062 352765497 /nfs/dbraw/zinc/76/54/97/352765497.db2.gz FOQKWWUFINAFDU-DTWKUNHWSA-N 1 0 137.226 1.255 10 30 ADEERO C#CC[NH2+]C[C@]1(C)C[C@@H]1C 575578064 352765621 /nfs/dbraw/zinc/76/56/21/352765621.db2.gz FOQKWWUFINAFDU-IUCAKERBSA-N 1 0 137.226 1.255 10 30 ADEERO CC#CC[NH2+][C@@H]1CC[C@H]1SC 575578173 352765857 /nfs/dbraw/zinc/76/58/57/352765857.db2.gz GYXCLPLVIDEEJC-RKDXNWHRSA-N 1 0 169.293 1.493 10 30 ADEERO CC#CC[NH2+][C@H]1CC[C@H]1SC 575578168 352766064 /nfs/dbraw/zinc/76/60/64/352766064.db2.gz GYXCLPLVIDEEJC-DTWKUNHWSA-N 1 0 169.293 1.493 10 30 ADEERO CC#CC[NH2+][C@@H]1CC[C@@H]1SC 575578160 352766126 /nfs/dbraw/zinc/76/61/26/352766126.db2.gz GYXCLPLVIDEEJC-BDAKNGLRSA-N 1 0 169.293 1.493 10 30 ADEERO CC#CC[NH2+][C@H]1CC[C@@H]1SC 575578170 352766316 /nfs/dbraw/zinc/76/63/16/352766316.db2.gz GYXCLPLVIDEEJC-IUCAKERBSA-N 1 0 169.293 1.493 10 30 ADEERO C/C=C/C(=O)[C@H]([NH3+])C(C)(C)C 575578521 352767686 /nfs/dbraw/zinc/76/76/86/352767686.db2.gz BUAMHXDUKZMDGH-GJIOHYHPSA-N 1 0 155.241 1.505 10 30 ADEERO C/C=C/C(=O)[C@@H]([NH3+])C(C)(C)C 575578522 352767939 /nfs/dbraw/zinc/76/79/39/352767939.db2.gz BUAMHXDUKZMDGH-HQZHTGGTSA-N 1 0 155.241 1.505 10 30 ADEERO C/C=C/C(=O)C1CC([NH2+]C)C1 575578541 352768456 /nfs/dbraw/zinc/76/84/56/352768456.db2.gz CTGIAOZRDBHKOE-ONEGZZNKSA-N 1 0 153.225 1.130 10 30 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409334411 /nfs/dbraw/zinc/33/44/11/409334411.db2.gz QZAMYIZUKIYDLT-MNOVXSKESA-N 1 0 183.295 1.967 10 30 ADEERO C=CC[C@@H]1CC[C@@H]([NH2+]CCCO)C1 651666473 409334821 /nfs/dbraw/zinc/33/48/21/409334821.db2.gz DCMFAXDVKBAYAC-GHMZBOCLSA-N 1 0 183.295 1.703 10 30 ADEERO C=CC[C@H]1CC[C@@H]([NH2+]CCOC)C1 651666886 409334647 /nfs/dbraw/zinc/33/46/47/409334647.db2.gz QZAMYIZUKIYDLT-WDEREUQCSA-N 1 0 183.295 1.967 10 30 ADEERO C=CC[C@@H]1CC[C@H]([NH2+]C[C@@H](C)O)C1 651668522 409334664 /nfs/dbraw/zinc/33/46/64/409334664.db2.gz OEPOEZXIVXHJNN-MXWKQRLJSA-N 1 0 183.295 1.702 10 30 ADEERO C=CC[C@@H]1CC[C@@H]([NH2+]C[C@@H](C)O)C1 651668520 409334806 /nfs/dbraw/zinc/33/48/06/409334806.db2.gz OEPOEZXIVXHJNN-GMTAPVOTSA-N 1 0 183.295 1.702 10 30 ADEERO C=CC[C@@H]1CC[C@@H]([NH2+]C[C@H](C)O)C1 651668521 409334891 /nfs/dbraw/zinc/33/48/91/409334891.db2.gz OEPOEZXIVXHJNN-HBNTYKKESA-N 1 0 183.295 1.702 10 30 ADEERO C=CC[C@@H]1CC[C@@H]([NH2+]CCOC)C1 651666883 409334994 /nfs/dbraw/zinc/33/49/94/409334994.db2.gz 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C=CC[C@@H]1CC[C@@H]([NH2+][C@H](C)CO)C1 651685920 409336617 /nfs/dbraw/zinc/33/66/17/409336617.db2.gz JHQCWAURKJUKOS-GMTAPVOTSA-N 1 0 183.295 1.702 10 30 ADEERO C=CC[C@H]1CC[C@H]([NH2+][C@H](C)CO)C1 651685923 409336843 /nfs/dbraw/zinc/33/68/43/409336843.db2.gz JHQCWAURKJUKOS-VWYCJHECSA-N 1 0 183.295 1.702 10 30 ADEERO C=CC[C@H]1CC[C@@H]([NH2+][C@@H](C)CO)C1 651734411 409337149 /nfs/dbraw/zinc/33/71/49/409337149.db2.gz JHQCWAURKJUKOS-GARJFASQSA-N 1 0 183.295 1.702 10 30 ADEERO C=CC[C@H]1CC[C@@H]([NH2+][C@H](C)CO)C1 651685922 409337366 /nfs/dbraw/zinc/33/73/66/409337366.db2.gz JHQCWAURKJUKOS-OUAUKWLOSA-N 1 0 183.295 1.702 10 30 ADEERO C=CC[C@@H]1CC[C@H]([NH2+][C@H](C)CO)C1 651685921 409337422 /nfs/dbraw/zinc/33/74/22/409337422.db2.gz JHQCWAURKJUKOS-MXWKQRLJSA-N 1 0 183.295 1.702 10 30 ADEERO C=CC[C@H]1CC[C@H]([NH2+][C@@H](C)CO)C1 651734410 409337450 /nfs/dbraw/zinc/33/74/50/409337450.db2.gz JHQCWAURKJUKOS-DCAQKATOSA-N 1 0 183.295 1.702 10 30 ADEERO C=CC[C@@H]1CC[C@H]([NH2+][C@@H](C)CO)C1 651726350 409337594 /nfs/dbraw/zinc/33/75/94/409337594.db2.gz JHQCWAURKJUKOS-AXFHLTTASA-N 1 0 183.295 1.702 10 30 ADEERO C=CC[C@H]1CC[C@H]([NH2+]CCO)C1 651749685 409338603 /nfs/dbraw/zinc/33/86/03/409338603.db2.gz GBEFIFGJPPXBMO-UWVGGRQHSA-N 1 0 169.268 1.313 10 30 ADEERO C=CC[C@@H]1CC[C@@H]([NH2+]CCN(C)C)C1 651780701 409339134 /nfs/dbraw/zinc/33/91/34/409339134.db2.gz QRSDSPYQCDKAMI-VXGBXAGGSA-N 1 0 196.338 1.882 10 30 ADEERO C=CC[C@H]1CC[C@@H]([NH2+][C@H](C)C(N)=O)C1 651787319 409338330 /nfs/dbraw/zinc/33/83/30/409338330.db2.gz NGLCCQHDCZJUMZ-KXUCPTDWSA-N 1 0 196.294 1.195 10 30 ADEERO C=CC[C@H]1CC[C@H]([NH2+][C@H](C)C(N)=O)C1 651787321 409338383 /nfs/dbraw/zinc/33/83/83/409338383.db2.gz NGLCCQHDCZJUMZ-UTLUCORTSA-N 1 0 196.294 1.195 10 30 ADEERO C=CC[C@H]1CC[C@H]([NH2+]CCN(C)C)C1 651780700 409338656 /nfs/dbraw/zinc/33/86/56/409338656.db2.gz QRSDSPYQCDKAMI-RYUDHWBXSA-N 1 0 196.338 1.882 10 30 ADEERO C=CC[C@@H]1CC[C@H]([NH2+]CCO)C1 651749687 409339399 /nfs/dbraw/zinc/33/93/99/409339399.db2.gz GBEFIFGJPPXBMO-ZJUUUORDSA-N 1 0 169.268 1.313 10 30 ADEERO C=CC[C@H]1CC[C@@H]([NH2+]CCO)C1 651749686 409338728 /nfs/dbraw/zinc/33/87/28/409338728.db2.gz GBEFIFGJPPXBMO-VHSXEESVSA-N 1 0 169.268 1.313 10 30 ADEERO C=CC[C@H]1CC[C@@H]([NH2+]C[C@H](C)O)C1 651743270 409338768 /nfs/dbraw/zinc/33/87/68/409338768.db2.gz OEPOEZXIVXHJNN-GARJFASQSA-N 1 0 183.295 1.702 10 30 ADEERO C=CC[C@@H]1CC[C@H]([NH2+]CCN(C)C)C1 651780698 409338901 /nfs/dbraw/zinc/33/89/01/409338901.db2.gz QRSDSPYQCDKAMI-NEPJUHHUSA-N 1 0 196.338 1.882 10 30 ADEERO C=CC[C@H]1CC[C@H]([NH2+]C[C@H](C)O)C1 651743269 409338918 /nfs/dbraw/zinc/33/89/18/409338918.db2.gz OEPOEZXIVXHJNN-DCAQKATOSA-N 1 0 183.295 1.702 10 30 ADEERO C=CC[C@H]1CC[C@H]([NH2+]C2(CO)CC2)C1 651755038 409339153 /nfs/dbraw/zinc/33/91/53/409339153.db2.gz ZAJUXEVWAKXJDL-QWRGUYRKSA-N 1 0 195.306 1.846 10 30 ADEERO C=CC[C@H]1CC[C@@H]([NH2+]C[C@@H](C)O)C1 651743271 409339220 /nfs/dbraw/zinc/33/92/20/409339220.db2.gz OEPOEZXIVXHJNN-OUAUKWLOSA-N 1 0 183.295 1.702 10 30 ADEERO C=CC[C@H]1CC[C@@H]([NH2+]CCN(C)C)C1 651780699 409339283 /nfs/dbraw/zinc/33/92/83/409339283.db2.gz QRSDSPYQCDKAMI-NWDGAFQWSA-N 1 0 196.338 1.882 10 30 ADEERO C=CC[C@@H]1CC[C@@H]([NH2+][C@H](C)C(N)=O)C1 651787320 409339371 /nfs/dbraw/zinc/33/93/71/409339371.db2.gz NGLCCQHDCZJUMZ-OPRDCNLKSA-N 1 0 196.294 1.195 10 30 ADEERO C=CC[C@@H]1CC[C@@H]([NH2+]CCO)C1 651749684 409339441 /nfs/dbraw/zinc/33/94/41/409339441.db2.gz GBEFIFGJPPXBMO-NXEZZACHSA-N 1 0 169.268 1.313 10 30 ADEERO C=CC[C@H]1CC[C@@H]([NH2+]C2(CO)CC2)C1 651755039 409339598 /nfs/dbraw/zinc/33/95/98/409339598.db2.gz ZAJUXEVWAKXJDL-WDEREUQCSA-N 1 0 195.306 1.846 10 30 ADEERO C=CC[C@H]1CC[C@H]([NH2+]C[C@@H](C)O)C1 651743272 409339749 /nfs/dbraw/zinc/33/97/49/409339749.db2.gz OEPOEZXIVXHJNN-VWYCJHECSA-N 1 0 183.295 1.702 10 30 ADEERO C=CC[C@@H]1CC[C@H]([NH2+][C@H](C)C(N)=O)C1 651787318 409339815 /nfs/dbraw/zinc/33/98/15/409339815.db2.gz NGLCCQHDCZJUMZ-BBBLOLIVSA-N 1 0 196.294 1.195 10 30 ADEERO C=CC[C@@H]1CC[C@@H]([NH2+]C2(CO)CC2)C1 651755036 409339895 /nfs/dbraw/zinc/33/98/95/409339895.db2.gz ZAJUXEVWAKXJDL-GHMZBOCLSA-N 1 0 195.306 1.846 10 30 ADEERO C=CC[C@@H]1CC[C@H]([NH2+]C2(CO)CC2)C1 651755037 409339938 /nfs/dbraw/zinc/33/99/38/409339938.db2.gz ZAJUXEVWAKXJDL-MNOVXSKESA-N 1 0 195.306 1.846 10 30 ADEERO C=CC[C@@H]1CC[C@@H]([NH2+][C@H]2C[C@@H](O)C2)C1 651825606 409340866 /nfs/dbraw/zinc/34/08/66/409340866.db2.gz RLJYBDBXIVYWPX-KKOKHZNYSA-N 1 0 195.306 1.844 10 30 ADEERO C=CC[C@@H]1CC[C@H]([NH2+][C@H]2C[C@@H](O)C2)C1 651825607 409341174 /nfs/dbraw/zinc/34/11/74/409341174.db2.gz RLJYBDBXIVYWPX-KXNHARMFSA-N 1 0 195.306 1.844 10 30 ADEERO C=CC[C@H]1CC[C@@H]([NH2+][C@H]2C[C@@H](O)C2)C1 651825608 409341333 /nfs/dbraw/zinc/34/13/33/409341333.db2.gz RLJYBDBXIVYWPX-WHOHXGKFSA-N 1 0 195.306 1.844 10 30 ADEERO C=CC[C@H]1CC[C@H]([NH2+][C@H]2C[C@@H](O)C2)C1 651825605 409341823 /nfs/dbraw/zinc/34/18/23/409341823.db2.gz RLJYBDBXIVYWPX-FIQHERPVSA-N 1 0 195.306 1.844 10 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KIHGGAYEKYMGFM-GFCCVEGCSA-N 1 0 194.322 1.660 10 30 ADEERO C=CCN(CC=C)C[C@@]1(C)CC[NH2+]C1 62910702 409402527 /nfs/dbraw/zinc/40/25/27/409402527.db2.gz KIHGGAYEKYMGFM-LBPRGKRZSA-N 1 0 194.322 1.660 10 30 ADEERO C=CCCCCCNC(=O)C[NH+](C)C 655246995 409405705 /nfs/dbraw/zinc/40/57/05/409405705.db2.gz MMEKLPSXCAAYQF-UHFFFAOYSA-N 1 0 198.310 1.411 10 30 ADEERO C=CC1CCN(C(=O)[C@@H](C)[NH2+]C)CC1 655435719 409408985 /nfs/dbraw/zinc/40/89/85/409408985.db2.gz IJCSTQWGYHHLHH-SECBINFHSA-N 1 0 196.294 1.019 10 30 ADEERO C=CCCCCCNC(=O)[C@H]([NH3+])CC 655488544 409410479 /nfs/dbraw/zinc/41/04/79/409410479.db2.gz HHZRIRFYSAQKHT-SNVBAGLBSA-N 1 0 198.310 1.586 10 30 ADEERO C=CCCCCCNC(=O)C[C@@H](C)[NH3+] 655488987 409410592 /nfs/dbraw/zinc/41/05/92/409410592.db2.gz PXVWVAAFHHPPEM-SNVBAGLBSA-N 1 0 198.310 1.586 10 30 ADEERO C=CCCCCCNC(=O)[C@@H](C)[NH3+] 655488791 409410749 /nfs/dbraw/zinc/41/07/49/409410749.db2.gz NOWLZBACGVQZHU-SECBINFHSA-N 1 0 184.283 1.196 10 30 ADEERO C=CCCCCCNC(=O)[C@H]1CC[NH2+]1 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C=CCC[NH2+][C@@H]1CO[C@@H](CC)C1 657583300 409482854 /nfs/dbraw/zinc/48/28/54/409482854.db2.gz IKRRREGNBLSQLS-UWVGGRQHSA-N 1 0 169.268 1.720 10 30 ADEERO C=CCC[NH2+]CC1(F)CC1 657583289 409482866 /nfs/dbraw/zinc/48/28/66/409482866.db2.gz IEWBCERHNMJQJI-UHFFFAOYSA-N 1 0 143.205 1.654 10 30 ADEERO C=CCC[NH2+][C@H]1CO[C@@H](CC)C1 657583303 409482940 /nfs/dbraw/zinc/48/29/40/409482940.db2.gz IKRRREGNBLSQLS-ZJUUUORDSA-N 1 0 169.268 1.720 10 30 ADEERO C=CCN(C)C(=O)[C@H]1CCC[C@@H]([NH3+])C1 131130298 409483249 /nfs/dbraw/zinc/48/32/49/409483249.db2.gz HODPFKJSBRDTPW-VHSXEESVSA-N 1 0 196.294 1.148 10 30 ADEERO C=CCC[NH2+]Cc1cncnc1OC 657583434 409483290 /nfs/dbraw/zinc/48/32/90/409483290.db2.gz KUVNBBIYMBPAAD-UHFFFAOYSA-N 1 0 193.250 1.151 10 30 ADEERO C=CCN(C)C(=O)C[C@@H]1CCC[NH2+]C1 131121304 409484203 /nfs/dbraw/zinc/48/42/03/409484203.db2.gz YULDRZIWENEWSC-JTQLQIEISA-N 1 0 196.294 1.021 10 30 ADEERO C=CC[C@@H]1CC[C@@H]([NH2+]C/C=C\CO)C1 657595117 409484648 /nfs/dbraw/zinc/48/46/48/409484648.db2.gz XMHFHEJDASAGRR-OPVGQWETSA-N 1 0 195.306 1.869 10 30 ADEERO C=CC[C@@H]1CC[C@H]([NH2+]C/C=C/CO)C1 657595116 409485004 /nfs/dbraw/zinc/48/50/04/409485004.db2.gz XMHFHEJDASAGRR-LXYZTQFVSA-N 1 0 195.306 1.869 10 30 ADEERO C=CC[C@@H]1CC[C@@H]([NH2+]C/C=C/CO)C1 657595114 409485006 /nfs/dbraw/zinc/48/50/06/409485006.db2.gz XMHFHEJDASAGRR-BLDJZWNYSA-N 1 0 195.306 1.869 10 30 ADEERO C=CC[C@@H]1CC[C@H]([NH2+]C/C=C\CO)C1 657595110 409485280 /nfs/dbraw/zinc/48/52/80/409485280.db2.gz XMHFHEJDASAGRR-BKGLOODYSA-N 1 0 195.306 1.869 10 30 ADEERO C=CC[N@@H+](C)C[C@@]1(C)CC[NH2+]C1 131437929 409485481 /nfs/dbraw/zinc/48/54/81/409485481.db2.gz IDSLVLOCVALNSW-JTQLQIEISA-N 1 0 168.284 1.104 10 30 ADEERO C=CCN(C(=O)[C@H]([NH3+])CCC)C1CC1 131299235 409485903 /nfs/dbraw/zinc/48/59/03/409485903.db2.gz JMEUAWKIWJAKIB-SNVBAGLBSA-N 1 0 196.294 1.291 10 30 ADEERO C=CC[C@@H](C)[C@H](C)[NH2+][C@@H]1CCOC1 131336813 409486468 /nfs/dbraw/zinc/48/64/68/409486468.db2.gz LXSBGNZANSXIHP-OUAUKWLOSA-N 1 0 183.295 1.966 10 30 ADEERO C=CCN(C(=O)CC[C@@H](C)[NH3+])C1CC1 131298186 409486704 /nfs/dbraw/zinc/48/67/04/409486704.db2.gz QKGZGCOVPSUDAL-SECBINFHSA-N 1 0 196.294 1.291 10 30 ADEERO C=CCN(C(=O)CC[C@H](C)[NH3+])C1CC1 131297974 409486733 /nfs/dbraw/zinc/48/67/33/409486733.db2.gz QKGZGCOVPSUDAL-VIFPVBQESA-N 1 0 196.294 1.291 10 30 ADEERO C=CC[C@H](C)[C@@H](C)[NH2+][C@@H]1CCOC1 131336203 409486767 /nfs/dbraw/zinc/48/67/67/409486767.db2.gz LXSBGNZANSXIHP-HBNTYKKESA-N 1 0 183.295 1.966 10 30 ADEERO C=CC[C@@H](C)[C@@H](C)[NH2+][C@@H]1CCOC1 131336402 409486997 /nfs/dbraw/zinc/48/69/97/409486997.db2.gz LXSBGNZANSXIHP-GMTAPVOTSA-N 1 0 183.295 1.966 10 30 ADEERO C=CCN(C)C(=O)[C@@H]1CCC[C@H]1C[NH3+] 131165511 409487079 /nfs/dbraw/zinc/48/70/79/409487079.db2.gz AZRGLYAEMMERDO-VHSXEESVSA-N 1 0 196.294 1.006 10 30 ADEERO C=CCN(C)C(=O)[C@H]1CCC[C@H]1C[NH3+] 131165716 409487102 /nfs/dbraw/zinc/48/71/02/409487102.db2.gz AZRGLYAEMMERDO-UWVGGRQHSA-N 1 0 196.294 1.006 10 30 ADEERO C=CCN(C(=O)[C@@H]([NH3+])CCC)C1CC1 131299047 409487321 /nfs/dbraw/zinc/48/73/21/409487321.db2.gz JMEUAWKIWJAKIB-JTQLQIEISA-N 1 0 196.294 1.291 10 30 ADEERO C=CCN(C)C(=O)[C@H]1CCC[C@@H]1C[NH3+] 131165274 409487428 /nfs/dbraw/zinc/48/74/28/409487428.db2.gz AZRGLYAEMMERDO-ZJUUUORDSA-N 1 0 196.294 1.006 10 30 ADEERO C=CCN(C)C(=O)[C@@H]1CCC[C@@H]1C[NH3+] 131165042 409487559 /nfs/dbraw/zinc/48/75/59/409487559.db2.gz AZRGLYAEMMERDO-NXEZZACHSA-N 1 0 196.294 1.006 10 30 ADEERO C=CCOCCC[NH2+]Cc1ncc[nH]1 657658092 409487649 /nfs/dbraw/zinc/48/76/49/409487649.db2.gz MAOZXDNQXZESEX-UHFFFAOYSA-N 1 0 195.266 1.092 10 30 ADEERO C=CCOCCC[NH2+][C@@H]1CCO[C@H]1C 657659351 409487770 /nfs/dbraw/zinc/48/77/70/409487770.db2.gz WIXNSRVUSLEHMJ-WDEREUQCSA-N 1 0 199.294 1.346 10 30 ADEERO C=CCOCCC[NH2+][C@@H](C)C1CC1 657657901 409487942 /nfs/dbraw/zinc/48/79/42/409487942.db2.gz FSUMGMXHQKERJJ-JTQLQIEISA-N 1 0 183.295 1.967 10 30 ADEERO C=CCOCCC[NH2+]CC1(F)CC1 657659299 409487966 /nfs/dbraw/zinc/48/79/66/409487966.db2.gz VUUDHAWQCDKWDB-UHFFFAOYSA-N 1 0 187.258 1.671 10 30 ADEERO C=CCOCCC[NH2+][C@@H]1CO[C@@H](C)C1 657659427 409487990 /nfs/dbraw/zinc/48/79/90/409487990.db2.gz WULQGXSQSQZSJB-QWRGUYRKSA-N 1 0 199.294 1.346 10 30 ADEERO C=CCOCCC[NH2+]Cc1cc[nH]n1 657658513 409488049 /nfs/dbraw/zinc/48/80/49/409488049.db2.gz ZYKIPAHCBHZJEQ-UHFFFAOYSA-N 1 0 195.266 1.092 10 30 ADEERO C=CCOCCC[NH2+]CC1(C)COC1 657658792 409488080 /nfs/dbraw/zinc/48/80/80/409488080.db2.gz FKDTZKHFGXYUAZ-UHFFFAOYSA-N 1 0 199.294 1.205 10 30 ADEERO C=CCOCCC[NH2+][C@@H]1CO[C@H](C)C1 657659426 409488095 /nfs/dbraw/zinc/48/80/95/409488095.db2.gz WULQGXSQSQZSJB-MNOVXSKESA-N 1 0 199.294 1.346 10 30 ADEERO C=CCOCCC[NH2+][C@H]1CO[C@@H](C)C1 657659428 409488139 /nfs/dbraw/zinc/48/81/39/409488139.db2.gz WULQGXSQSQZSJB-WDEREUQCSA-N 1 0 199.294 1.346 10 30 ADEERO C=CCOCCC[NH2+]CC1CC1 657657992 409488151 /nfs/dbraw/zinc/48/81/51/409488151.db2.gz HLPKETOTXYYAIX-UHFFFAOYSA-N 1 0 169.268 1.579 10 30 ADEERO C=CCOCCC[NH2+][C@H]1CO[C@H](C)C1 657659425 409488156 /nfs/dbraw/zinc/48/81/56/409488156.db2.gz WULQGXSQSQZSJB-GHMZBOCLSA-N 1 0 199.294 1.346 10 30 ADEERO C=CCOCCC[NH2+]CC1(C)CC1 657658697 409488175 /nfs/dbraw/zinc/48/81/75/409488175.db2.gz AMGZDMCGYBJMCM-UHFFFAOYSA-N 1 0 183.295 1.969 10 30 ADEERO C=CCOCCC[NH2+]Cc1cn[nH]c1 657657966 409488220 /nfs/dbraw/zinc/48/82/20/409488220.db2.gz GQZNFZPLXAXWKY-UHFFFAOYSA-N 1 0 195.266 1.092 10 30 ADEERO C=CCOCCC[NH2+][C@H](C)C1CC1 657657902 409488236 /nfs/dbraw/zinc/48/82/36/409488236.db2.gz FSUMGMXHQKERJJ-SNVBAGLBSA-N 1 0 183.295 1.967 10 30 ADEERO C=CCOCCC[NH2+]C1CCOCC1 657658451 409488261 /nfs/dbraw/zinc/48/82/61/409488261.db2.gz YSOCUWDWBFUUJM-UHFFFAOYSA-N 1 0 199.294 1.348 10 30 ADEERO C=CCOCCC[NH2+]Cc1ccco1 657658097 409488300 /nfs/dbraw/zinc/48/83/00/409488300.db2.gz MHFULCSMDHUSGL-UHFFFAOYSA-N 1 0 195.262 1.962 10 30 ADEERO C=CCOCCC[NH2+]Cc1cocn1 657659240 409488396 /nfs/dbraw/zinc/48/83/96/409488396.db2.gz TYLPBNJNLDTVGX-UHFFFAOYSA-N 1 0 196.250 1.357 10 30 ADEERO C=CCOCCC[NH2+][C@H]1CCO[C@@H]1C 657659344 409488450 /nfs/dbraw/zinc/48/84/50/409488450.db2.gz WIXNSRVUSLEHMJ-MNOVXSKESA-N 1 0 199.294 1.346 10 30 ADEERO C=CCOCCC[NH2+]Cc1cc[nH]c1 657657829 409488478 /nfs/dbraw/zinc/48/84/78/409488478.db2.gz FHZOWERNIWMCEG-UHFFFAOYSA-N 1 0 194.278 1.697 10 30 ADEERO C=CCOCCC[NH2+][C@H]1CCO[C@H]1C 657659350 409488622 /nfs/dbraw/zinc/48/86/22/409488622.db2.gz WIXNSRVUSLEHMJ-QWRGUYRKSA-N 1 0 199.294 1.346 10 30 ADEERO C=CCCC[N@H+]1CCC[C@H]1CN 133242499 409494247 /nfs/dbraw/zinc/49/42/47/409494247.db2.gz DJDKTNWBLMSQPH-JTQLQIEISA-N 1 0 168.284 1.376 10 30 ADEERO C=CC[C@@H]1CC[C@@H]([NH2+][C@H]2C[C@H](O)C2)C1 657808990 409495431 /nfs/dbraw/zinc/49/54/31/409495431.db2.gz RLJYBDBXIVYWPX-DDHJBXDOSA-N 1 0 195.306 1.844 10 30 ADEERO C=CC[C@H]1CC[C@H]([NH2+][C@H]2C[C@H](O)C2)C1 657808989 409495558 /nfs/dbraw/zinc/49/55/58/409495558.db2.gz RLJYBDBXIVYWPX-BJDJZHNGSA-N 1 0 195.306 1.844 10 30 ADEERO C=CCCC[N@H+]1CCC[C@@H]1CN 133242297 409495623 /nfs/dbraw/zinc/49/56/23/409495623.db2.gz DJDKTNWBLMSQPH-SNVBAGLBSA-N 1 0 168.284 1.376 10 30 ADEERO C=C[C@H](CO)[NH2+][C@H](C)[C@H]1C[C@@H]1C 657791325 409495709 /nfs/dbraw/zinc/49/57/09/409495709.db2.gz BTWWZIJZAJEBEL-JLIMGVALSA-N 1 0 169.268 1.167 10 30 ADEERO C=C[C@H](CO)[NH2+][C@H](C)[C@@H]1C[C@H]1C 657791328 409496109 /nfs/dbraw/zinc/49/61/09/409496109.db2.gz BTWWZIJZAJEBEL-ZYUZMQFOSA-N 1 0 169.268 1.167 10 30 ADEERO C=CC[C@@H]1CC[C@H]([NH2+][C@H]2C[C@H](O)C2)C1 657808992 409495988 /nfs/dbraw/zinc/49/59/88/409495988.db2.gz RLJYBDBXIVYWPX-WRWGMCAJSA-N 1 0 195.306 1.844 10 30 ADEERO C=C[C@H](CO)[NH2+][C@H](C)[C@H]1C[C@H]1C 657791326 409496286 /nfs/dbraw/zinc/49/62/86/409496286.db2.gz BTWWZIJZAJEBEL-KYXWUPHJSA-N 1 0 169.268 1.167 10 30 ADEERO C=CC[C@H]1CC[C@@H]([NH2+][C@H]2C[C@H](O)C2)C1 657808991 409496339 /nfs/dbraw/zinc/49/63/39/409496339.db2.gz RLJYBDBXIVYWPX-USZNOCQGSA-N 1 0 195.306 1.844 10 30 ADEERO C=C[C@H](CO)[NH2+][C@H](C)[C@@H]1C[C@@H]1C 657791327 409496390 /nfs/dbraw/zinc/49/63/90/409496390.db2.gz BTWWZIJZAJEBEL-SGIHWFKDSA-N 1 0 169.268 1.167 10 30 ADEERO C=CCCC[NH2+][C@@H]1CCO[C@@H]1C 133468627 409498168 /nfs/dbraw/zinc/49/81/68/409498168.db2.gz IWUZLDPLWVVEQD-NXEZZACHSA-N 1 0 169.268 1.720 10 30 ADEERO C=CC[C@@H]1CCCC[C@H]1[NH2+]CCO 657825957 409501100 /nfs/dbraw/zinc/50/11/00/409501100.db2.gz PPHBBVRAMQLQSD-GHMZBOCLSA-N 1 0 183.295 1.703 10 30 ADEERO C=CC[C@H]1CCCC[C@@H]1[NH2+]CCO 657825965 409501129 /nfs/dbraw/zinc/50/11/29/409501129.db2.gz PPHBBVRAMQLQSD-QWRGUYRKSA-N 1 0 183.295 1.703 10 30 ADEERO C=CC[C@@H]1CCCC[C@@H]1[NH2+]CCO 657825963 409501239 /nfs/dbraw/zinc/50/12/39/409501239.db2.gz PPHBBVRAMQLQSD-MNOVXSKESA-N 1 0 183.295 1.703 10 30 ADEERO C=CC[C@H]1CCCC[C@H]1[NH2+]CCO 657825966 409501285 /nfs/dbraw/zinc/50/12/85/409501285.db2.gz PPHBBVRAMQLQSD-WDEREUQCSA-N 1 0 183.295 1.703 10 30 ADEERO C=C[C@H](C)[NH2+][C@H]1COC2(CCC2)C1 657902834 409502082 /nfs/dbraw/zinc/50/20/82/409502082.db2.gz ATFDLWHEDVOJTC-VHSXEESVSA-N 1 0 181.279 1.862 10 30 ADEERO C#C[C@H]([NH3+])C1(OC)CCCCCC1 160632110 409501886 /nfs/dbraw/zinc/50/18/86/409501886.db2.gz BDINRIPICFPUDZ-JTQLQIEISA-N 1 0 181.279 1.686 10 30 ADEERO CC#CC[NH2+][C@H]1CCCn2nccc21 657938800 409502606 /nfs/dbraw/zinc/50/26/06/409502606.db2.gz ZZWGYWJSIYGCCN-JTQLQIEISA-N 1 0 189.262 1.331 10 30 ADEERO C=C[C@H](C)[NH2+][C@@H]1COC2(CCC2)C1 657902833 409502629 /nfs/dbraw/zinc/50/26/29/409502629.db2.gz ATFDLWHEDVOJTC-UWVGGRQHSA-N 1 0 181.279 1.862 10 30 ADEERO CC#CC[NH2+][C@@H]1CCCn2nccc21 657938801 409502676 /nfs/dbraw/zinc/50/26/76/409502676.db2.gz ZZWGYWJSIYGCCN-SNVBAGLBSA-N 1 0 189.262 1.331 10 30 ADEERO C=C[C@@H](C)[NH2+][C@H]1COC2(CCC2)C1 657902832 409502782 /nfs/dbraw/zinc/50/27/82/409502782.db2.gz ATFDLWHEDVOJTC-NXEZZACHSA-N 1 0 181.279 1.862 10 30 ADEERO CC#CCC[C@H]1CCC[NH2+]1 161644987 409502786 /nfs/dbraw/zinc/50/27/86/409502786.db2.gz ULSLKGJLTBURSM-VIFPVBQESA-N 1 0 137.226 1.542 10 30 ADEERO CC#CCC[C@@H]1CCC[NH2+]1 161644847 409502894 /nfs/dbraw/zinc/50/28/94/409502894.db2.gz ULSLKGJLTBURSM-SECBINFHSA-N 1 0 137.226 1.542 10 30 ADEERO C=C[C@@H](C)[NH2+][C@@H]1COC2(CCC2)C1 657902835 409502977 /nfs/dbraw/zinc/50/29/77/409502977.db2.gz ATFDLWHEDVOJTC-ZJUUUORDSA-N 1 0 181.279 1.862 10 30 ADEERO C=C(C)C[NH2+][C@H]1CCCn2nccc21 657986045 409503470 /nfs/dbraw/zinc/50/34/70/409503470.db2.gz WCXBEZGLIZBGGT-JTQLQIEISA-N 1 0 191.278 1.884 10 30 ADEERO C=CC[NH2+][C@H]1CCCn2nccc21 657986552 409504204 /nfs/dbraw/zinc/50/42/04/409504204.db2.gz YYNKDKBZFMXGPU-VIFPVBQESA-N 1 0 177.251 1.494 10 30 ADEERO C=C(C)C[N@@H+]1CC[C@H](O)[C@H](C)C1 164621174 409504406 /nfs/dbraw/zinc/50/44/06/409504406.db2.gz ASUKOVFTZUJANN-ZJUUUORDSA-N 1 0 169.268 1.265 10 30 ADEERO C=CC[NH2+][C@@H]1CCCn2nccc21 657986551 409504515 /nfs/dbraw/zinc/50/45/15/409504515.db2.gz YYNKDKBZFMXGPU-SECBINFHSA-N 1 0 177.251 1.494 10 30 ADEERO C=C(C)C[N@@H+]1CC[C@H](O)[C@@H](C)C1 164621300 409504688 /nfs/dbraw/zinc/50/46/88/409504688.db2.gz ASUKOVFTZUJANN-UWVGGRQHSA-N 1 0 169.268 1.265 10 30 ADEERO C=C(C)C[NH2+][C@@H]1CCCn2nccc21 657986048 409504751 /nfs/dbraw/zinc/50/47/51/409504751.db2.gz WCXBEZGLIZBGGT-SNVBAGLBSA-N 1 0 191.278 1.884 10 30 ADEERO C=CC[C@H](C)[C@H](C)[NH2+][C@H]1CCNC1=O 658056146 409505424 /nfs/dbraw/zinc/50/54/24/409505424.db2.gz WZKQDEBEHPWBBS-GUBZILKMSA-N 1 0 196.294 1.065 10 30 ADEERO C=CC[C@H](C)[C@@H](C)[NH2+][C@H]1CCNC1=O 658056145 409505714 /nfs/dbraw/zinc/50/57/14/409505714.db2.gz WZKQDEBEHPWBBS-AEJSXWLSSA-N 1 0 196.294 1.065 10 30 ADEERO C=CCC[C@@H](CC)[NH2+][C@H]1CCNC1=O 658053803 409506065 /nfs/dbraw/zinc/50/60/65/409506065.db2.gz NTOLLTPSKXFOPK-ZJUUUORDSA-N 1 0 196.294 1.209 10 30 ADEERO C=CCC[C@H](CC)[NH2+][C@H]1CCNC1=O 658053801 409506223 /nfs/dbraw/zinc/50/62/23/409506223.db2.gz NTOLLTPSKXFOPK-UWVGGRQHSA-N 1 0 196.294 1.209 10 30 ADEERO C=CCC[NH2+][C@H]1CCCn2nccc21 658114785 409506783 /nfs/dbraw/zinc/50/67/83/409506783.db2.gz QYSLHQYFBVRGGJ-JTQLQIEISA-N 1 0 191.278 1.884 10 30 ADEERO C=CCC[NH2+][C@H](CC)Cn1cncn1 658116003 409507003 /nfs/dbraw/zinc/50/70/03/409507003.db2.gz YCIBYUAKHYZNEY-SNVBAGLBSA-N 1 0 194.282 1.222 10 30 ADEERO C=CCC[NH2+][C@H]1COC2(CCC2)C1 658116219 409507018 /nfs/dbraw/zinc/50/70/18/409507018.db2.gz ZVXKVSMZPZUSER-SNVBAGLBSA-N 1 0 181.279 1.864 10 30 ADEERO C=CCC[NH2+][C@@H]1CCCn2nccc21 658114786 409507130 /nfs/dbraw/zinc/50/71/30/409507130.db2.gz QYSLHQYFBVRGGJ-SNVBAGLBSA-N 1 0 191.278 1.884 10 30 ADEERO C=CCC[NH2+][C@@H](CC)Cn1cncn1 658116001 409507198 /nfs/dbraw/zinc/50/71/98/409507198.db2.gz YCIBYUAKHYZNEY-JTQLQIEISA-N 1 0 194.282 1.222 10 30 ADEERO C=CCC[NH2+][C@@H]1COC2(CCC2)C1 658116217 409507691 /nfs/dbraw/zinc/50/76/91/409507691.db2.gz ZVXKVSMZPZUSER-JTQLQIEISA-N 1 0 181.279 1.864 10 30 ADEERO C=CCOCCC[NH2+][C@H](C)CC 658210747 409512463 /nfs/dbraw/zinc/51/24/63/409512463.db2.gz WLIDXLGOXCXBDT-SNVBAGLBSA-N 1 0 171.284 1.967 10 30 ADEERO C=CCOCCC[NH2+]C1CC(C)C1 658205102 409512535 /nfs/dbraw/zinc/51/25/35/409512535.db2.gz GAUYXOHZRXHJLU-UHFFFAOYSA-N 1 0 183.295 1.967 10 30 ADEERO C=CCOCCC[NH2+][C@H]1CCCOC1 658209737 409512554 /nfs/dbraw/zinc/51/25/54/409512554.db2.gz JUIZSDNDUIAUBQ-NSHDSACASA-N 1 0 199.294 1.348 10 30 ADEERO C=CCOCCC[NH2+][C@@H](C)CC 658210746 409512873 /nfs/dbraw/zinc/51/28/73/409512873.db2.gz WLIDXLGOXCXBDT-JTQLQIEISA-N 1 0 171.284 1.967 10 30 ADEERO C=CCOCCC[NH2+][C@@H]1CCCOC1 658209736 409512914 /nfs/dbraw/zinc/51/29/14/409512914.db2.gz JUIZSDNDUIAUBQ-LLVKDONJSA-N 1 0 199.294 1.348 10 30 ADEERO C=CC[C@@H]1CC[C@H]([NH2+][C@H](C=C)CO)C1 658334692 409517598 /nfs/dbraw/zinc/51/75/98/409517598.db2.gz RZDSUAXJEUTAHC-UTUOFQBUSA-N 1 0 195.306 1.868 10 30 ADEERO C=CC[C@H]1CC[C@H]([NH2+][C@H](C=C)CO)C1 658334691 409517680 /nfs/dbraw/zinc/51/76/80/409517680.db2.gz RZDSUAXJEUTAHC-TUAOUCFPSA-N 1 0 195.306 1.868 10 30 ADEERO C=C[C@H](CO)[NH2+][C@@H](C)Cc1ccoc1 658334810 409517845 /nfs/dbraw/zinc/51/78/45/409517845.db2.gz TUDZPMHXLULFFA-GXSJLCMTSA-N 1 0 195.262 1.347 10 30 ADEERO C=C[C@H](CO)[NH2+][C@H](C)Cc1ccoc1 658334813 409517909 /nfs/dbraw/zinc/51/79/09/409517909.db2.gz TUDZPMHXLULFFA-MWLCHTKSSA-N 1 0 195.262 1.347 10 30 ADEERO C=CC[C@H]1CC[C@@H]([NH2+][C@H](C=C)CO)C1 658334690 409518515 /nfs/dbraw/zinc/51/85/15/409518515.db2.gz RZDSUAXJEUTAHC-QJPTWQEYSA-N 1 0 195.306 1.868 10 30 ADEERO C=CC[C@@H]1CC[C@@H]([NH2+][C@H](C=C)CO)C1 658334689 409518675 /nfs/dbraw/zinc/51/86/75/409518675.db2.gz RZDSUAXJEUTAHC-IJLUTSLNSA-N 1 0 195.306 1.868 10 30 ADEERO C=CCCCN(C)C(=O)[C@@H](C)[C@@H](C)[NH3+] 220250687 409519862 /nfs/dbraw/zinc/51/98/62/409519862.db2.gz ITFQNQDJMRUZLM-VHSXEESVSA-N 1 0 198.310 1.394 10 30 ADEERO C=CCCCN(C)C(=O)[C@H](C)[C@H](C)[NH3+] 220250891 409519872 /nfs/dbraw/zinc/51/98/72/409519872.db2.gz ITFQNQDJMRUZLM-ZJUUUORDSA-N 1 0 198.310 1.394 10 30 ADEERO C=CCCCN(C)C(=O)[C@@H](C)[C@H](C)[NH3+] 220250825 409519880 /nfs/dbraw/zinc/51/98/80/409519880.db2.gz ITFQNQDJMRUZLM-UWVGGRQHSA-N 1 0 198.310 1.394 10 30 ADEERO C=CCCCN(C)C(=O)[C@H](C)[C@@H](C)[NH3+] 220250749 409519887 /nfs/dbraw/zinc/51/98/87/409519887.db2.gz ITFQNQDJMRUZLM-NXEZZACHSA-N 1 0 198.310 1.394 10 30 ADEERO C[NH2+]CC#Cc1ccc2c(c1)CCC2 229457992 409522436 /nfs/dbraw/zinc/52/24/36/409522436.db2.gz UPXQNESFIOINQK-UHFFFAOYSA-N 1 0 185.270 1.746 10 30 ADEERO C[NH2+]CC#Cc1ccc2c(c1)COC2 229458206 409522646 /nfs/dbraw/zinc/52/26/46/409522646.db2.gz JUAHRPYMNFZJLG-UHFFFAOYSA-N 1 0 187.242 1.288 10 30 ADEERO C=C(Cl)C[NH2+][C@]1(C)CCOC1 229458885 409522691 /nfs/dbraw/zinc/52/26/91/409522691.db2.gz MPXUAFCQDUKYFV-MRVPVSSYSA-N 1 0 175.659 1.508 10 30 ADEERO C=C(Cl)C[NH2+][C@@]1(C)CCOC1 229458874 409522738 /nfs/dbraw/zinc/52/27/38/409522738.db2.gz MPXUAFCQDUKYFV-QMMMGPOBSA-N 1 0 175.659 1.508 10 30 ADEERO C=CCC[C@@H](C)[NH2+]C1CC(CO)C1 658355490 409522822 /nfs/dbraw/zinc/52/28/22/409522822.db2.gz IAZGXGCDQVJZQD-KPPDAEKUSA-N 1 0 183.295 1.702 10 30 ADEERO C=CCC[C@H](C)[NH2+]C1CC(CO)C1 658355492 409523847 /nfs/dbraw/zinc/52/38/47/409523847.db2.gz IAZGXGCDQVJZQD-WHXUTIOJSA-N 1 0 183.295 1.702 10 30 ADEERO C[C@H]1C[C@@H](C)C[N@H+](C[C@H]2CO2)C1 242437459 409525974 /nfs/dbraw/zinc/52/59/74/409525974.db2.gz CAKWSYBLOXHXJY-AEJSXWLSSA-N 1 0 169.268 1.363 10 30 ADEERO C[C@@H]1C[C@@H](C)C[NH+](C[C@H]2CO2)C1 242437460 409526188 /nfs/dbraw/zinc/52/61/88/409526188.db2.gz CAKWSYBLOXHXJY-BBBLOLIVSA-N 1 0 169.268 1.363 10 30 ADEERO C=C(C)CC[N@H+]1C[C@@H](O)CC[C@@H]1C 306219225 409548623 /nfs/dbraw/zinc/54/86/23/409548623.db2.gz SJECCRBTPDUFFO-QWRGUYRKSA-N 1 0 183.295 1.798 10 30 ADEERO C=CC[NH+](CC=C)C[C@H](COC)OC 659837928 409551870 /nfs/dbraw/zinc/55/18/70/409551870.db2.gz ILWNONAZOKVEFB-LLVKDONJSA-N 1 0 199.294 1.322 10 30 ADEERO C=CC[NH+](CC=C)C[C@@H](COC)OC 659837939 409552220 /nfs/dbraw/zinc/55/22/20/409552220.db2.gz ILWNONAZOKVEFB-NSHDSACASA-N 1 0 199.294 1.322 10 30 ADEERO C=CCN1C[C@@H](C)[N@H+](CC)C[C@H]1C 306286690 409555169 /nfs/dbraw/zinc/55/51/69/409555169.db2.gz DSCNIZWKPQXKFH-GHMZBOCLSA-N 1 0 182.311 1.587 10 30 ADEERO C=CCN1C[C@H](C)[N@H+](CC)C[C@H]1C 306286702 409554010 /nfs/dbraw/zinc/55/40/10/409554010.db2.gz DSCNIZWKPQXKFH-WDEREUQCSA-N 1 0 182.311 1.587 10 30 ADEERO C=CCN1C[C@H](C)[N@H+](CC)C[C@@H]1C 306286698 409554654 /nfs/dbraw/zinc/55/46/54/409554654.db2.gz DSCNIZWKPQXKFH-QWRGUYRKSA-N 1 0 182.311 1.587 10 30 ADEERO C=CCN1C[C@@H](C)[N@H+](CC)C[C@@H]1C 306286694 409555533 /nfs/dbraw/zinc/55/55/33/409555533.db2.gz DSCNIZWKPQXKFH-MNOVXSKESA-N 1 0 182.311 1.587 10 30 ADEERO C=CCCC[N@@H+](C)C[C@H]1CNC(=O)C1 659940256 409563131 /nfs/dbraw/zinc/56/31/31/409563131.db2.gz DMVUPWITEHOVNP-SNVBAGLBSA-N 1 0 196.294 1.021 10 30 ADEERO C=C1CC[NH+](C[C@H](COC)OC)CC1 659908949 409563342 /nfs/dbraw/zinc/56/33/42/409563342.db2.gz BYLPUMBOTAZJHB-LLVKDONJSA-N 1 0 199.294 1.300 10 30 ADEERO C=CCCC[N@@H+](C)Cc1cn(C)cn1 659942549 409563516 /nfs/dbraw/zinc/56/35/16/409563516.db2.gz WSJOIMLZJKTCTI-UHFFFAOYSA-N 1 0 193.294 1.818 10 30 ADEERO C=CCCC[N@@H+](C)CCc1c[nH]nn1 659942039 409564352 /nfs/dbraw/zinc/56/43/52/409564352.db2.gz SJGKYNMIPZHQRI-UHFFFAOYSA-N 1 0 194.282 1.245 10 30 ADEERO CCC#C[C@H](C)[N@H+](C)C[C@@H](C)O 306393261 409565316 /nfs/dbraw/zinc/56/53/16/409565316.db2.gz DPUVNTPEEQSFOE-VHSXEESVSA-N 1 0 169.268 1.101 10 30 ADEERO C=CCCC[N@@H+](C)C[C@@H]1CNC(=O)C1 659940253 409565435 /nfs/dbraw/zinc/56/54/35/409565435.db2.gz DMVUPWITEHOVNP-JTQLQIEISA-N 1 0 196.294 1.021 10 30 ADEERO C=C1CC[NH+](C[C@@H](COC)OC)CC1 659908953 409565661 /nfs/dbraw/zinc/56/56/61/409565661.db2.gz BYLPUMBOTAZJHB-NSHDSACASA-N 1 0 199.294 1.300 10 30 ADEERO CCC#C[C@@H](C)[N@H+](C)C[C@@H](C)O 306393260 409566484 /nfs/dbraw/zinc/56/64/84/409566484.db2.gz DPUVNTPEEQSFOE-NXEZZACHSA-N 1 0 169.268 1.101 10 30 ADEERO C=C(CC)C[N@@H+]1C[C@@H](O)CC[C@@H]1C 306428137 409568161 /nfs/dbraw/zinc/56/81/61/409568161.db2.gz MCELZQMZBCWGIQ-QWRGUYRKSA-N 1 0 183.295 1.798 10 30 ADEERO CC#CCC[N@H+]1CC[C@H]1CC 306458486 409570435 /nfs/dbraw/zinc/57/04/35/409570435.db2.gz ZJTKAHXCBZEADF-SNVBAGLBSA-N 1 0 151.253 1.884 10 30 ADEERO CC#CCC[N@H+]1CC[C@@H]1CC 306458485 409570235 /nfs/dbraw/zinc/57/02/35/409570235.db2.gz ZJTKAHXCBZEADF-JTQLQIEISA-N 1 0 151.253 1.884 10 30 ADEERO N#CC1(C[NH2+][C@@H]2CCCOC2)CC1 306736218 409586974 /nfs/dbraw/zinc/58/69/74/409586974.db2.gz XFUALAGJIDNXKV-SECBINFHSA-N 1 0 180.251 1.059 10 30 ADEERO C=C(C)C[N@@H+](C)[C@@H]1CCN(CC)C1=O 660219668 409587867 /nfs/dbraw/zinc/58/78/67/409587867.db2.gz FHIRNDWYAYPKOV-SNVBAGLBSA-N 1 0 196.294 1.115 10 30 ADEERO C=CC[N@@H+](C[C@@H](COC)OC)C1CC1 660171168 409588068 /nfs/dbraw/zinc/58/80/68/409588068.db2.gz UVQQHCOZLCYHRA-NSHDSACASA-N 1 0 199.294 1.298 10 30 ADEERO C=CC[N@@H+](C[C@H](COC)OC)C1CC1 660171167 409589671 /nfs/dbraw/zinc/58/96/71/409589671.db2.gz UVQQHCOZLCYHRA-LLVKDONJSA-N 1 0 199.294 1.298 10 30 ADEERO C=C(C)C[N@@H+](C)[C@H]1CCN(CC)C1=O 660219667 409590061 /nfs/dbraw/zinc/59/00/61/409590061.db2.gz FHIRNDWYAYPKOV-JTQLQIEISA-N 1 0 196.294 1.115 10 30 ADEERO C=C(C)C[N@@H+](C)C[C@H](COC)OC 660223171 409592034 /nfs/dbraw/zinc/59/20/34/409592034.db2.gz ZQYTXDHVHYDAPW-SNVBAGLBSA-N 1 0 187.283 1.156 10 30 ADEERO C=C(C)C[N@@H+](C)C[C@@H](COC)OC 660223170 409592501 /nfs/dbraw/zinc/59/25/01/409592501.db2.gz ZQYTXDHVHYDAPW-JTQLQIEISA-N 1 0 187.283 1.156 10 30 ADEERO C=C(C)C[N@@H+](C)C[C@@]1(O)CCCOC1 660223079 409592780 /nfs/dbraw/zinc/59/27/80/409592780.db2.gz XRHBRNQEVDLIRR-NSHDSACASA-N 1 0 199.294 1.036 10 30 ADEERO C=C(C)C[N@@H+](C)C[C@]1(O)CCCOC1 660223078 409593170 /nfs/dbraw/zinc/59/31/70/409593170.db2.gz XRHBRNQEVDLIRR-LLVKDONJSA-N 1 0 199.294 1.036 10 30 ADEERO C=CC[N@@H+](C)C[C@H](OC)C1CCC1 660328292 409595198 /nfs/dbraw/zinc/59/51/98/409595198.db2.gz IZQQNYMTJPYSQT-NSHDSACASA-N 1 0 183.295 1.919 10 30 ADEERO C=CCC[N@@H+](C)C[C@@H](COC)OC 660398449 409595374 /nfs/dbraw/zinc/59/53/74/409595374.db2.gz FQPVTTFTVJICSS-JTQLQIEISA-N 1 0 187.283 1.156 10 30 ADEERO C=CC[N@@H+](C)C[C@@H](OC)C1CCC1 660328290 409595557 /nfs/dbraw/zinc/59/55/57/409595557.db2.gz IZQQNYMTJPYSQT-LLVKDONJSA-N 1 0 183.295 1.919 10 30 ADEERO C=CC[N@@H+](C)C[C@H](OC)[C@H]1CCOC1 660329562 409595872 /nfs/dbraw/zinc/59/58/72/409595872.db2.gz XOJVXUPYPYBGKR-QWRGUYRKSA-N 1 0 199.294 1.156 10 30 ADEERO C=CCC[N@@H+](C)C[C@]1(O)CCCOC1 660403306 409595896 /nfs/dbraw/zinc/59/58/96/409595896.db2.gz VXOLUPBTNTVTGJ-LLVKDONJSA-N 1 0 199.294 1.036 10 30 ADEERO C=CC[N@@H+](C)C[C@@H](OC)[C@@H]1CCOC1 660329560 409595916 /nfs/dbraw/zinc/59/59/16/409595916.db2.gz XOJVXUPYPYBGKR-GHMZBOCLSA-N 1 0 199.294 1.156 10 30 ADEERO C=CCC[N@@H+](C)C[C@@]1(O)CCCOC1 660403307 409596306 /nfs/dbraw/zinc/59/63/06/409596306.db2.gz VXOLUPBTNTVTGJ-NSHDSACASA-N 1 0 199.294 1.036 10 30 ADEERO C=CC[N@H+](C)CCO[C@@H]1CC1(F)F 660329832 409596565 /nfs/dbraw/zinc/59/65/65/409596565.db2.gz YMAWJWKSTXOVRQ-MRVPVSSYSA-N 1 0 191.221 1.528 10 30 ADEERO C=CC[N@@H+](C)C[C@H](OC)[C@@H]1CCOC1 660329561 409596833 /nfs/dbraw/zinc/59/68/33/409596833.db2.gz XOJVXUPYPYBGKR-MNOVXSKESA-N 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198.310 1.941 10 30 ADEERO CCC[C@@H](C#N)C1(O)CC[NH2+]CC1 86326646 573366531 /nfs/dbraw/zinc/36/65/31/573366531.db2.gz QEVVNFYGYDHEHT-VIFPVBQESA-N 1 0 182.267 1.041 10 30 ADEERO C=CCN(CC)C(=O)[C@H]1CC[C@H]([NH3+])C1 133055695 573366575 /nfs/dbraw/zinc/36/65/75/573366575.db2.gz VANOIZBGLKCBQM-UWVGGRQHSA-N 1 0 196.294 1.148 10 30 ADEERO C[C@@H](C#N)OCC[N@@H+]1CCCC1(C)C 308564228 573366601 /nfs/dbraw/zinc/36/66/01/573366601.db2.gz XQTFQNJRHXTGNG-JTQLQIEISA-N 1 0 196.294 1.789 10 30 ADEERO C=CCN(CC)C(=O)[C@@H]1CCC[C@@H]1[NH3+] 133053865 573366654 /nfs/dbraw/zinc/36/66/54/573366654.db2.gz XSHRBMWVJFZZOI-ZJUUUORDSA-N 1 0 196.294 1.148 10 30 ADEERO CC(C)[N@@H+]1CCCC[C@H]1C#CC=O 258318207 573366688 /nfs/dbraw/zinc/36/66/88/573366688.db2.gz VXHKSYNYTVVBFM-NSHDSACASA-N 1 0 179.263 1.452 10 30 ADEERO C=CCN(CC)C(=O)[C@@H]1CCC[C@H]1[NH3+] 133054234 573369993 /nfs/dbraw/zinc/36/99/93/573369993.db2.gz XSHRBMWVJFZZOI-NXEZZACHSA-N 1 0 196.294 1.148 10 30 ADEERO C=CC[N@@H+](CCO)CC/C=C/CC 308370059 573370021 /nfs/dbraw/zinc/37/00/21/573370021.db2.gz PUYYPKUQUXNSGH-AATRIKPKSA-N 1 0 183.295 1.823 10 30 ADEERO C[C@H](C[NH2+]C[C@@H](C)/C(N)=N/O)C1CC1 133117714 573370040 /nfs/dbraw/zinc/37/00/40/573370040.db2.gz FZDXNFYVPCPHHL-HTQZYQBOSA-N 1 0 199.298 1.005 10 30 ADEERO C[C@H](C#N)OCC[N@@H+]1CCCC1(C)C 308564230 573370098 /nfs/dbraw/zinc/37/00/98/573370098.db2.gz XQTFQNJRHXTGNG-SNVBAGLBSA-N 1 0 196.294 1.789 10 30 ADEERO C[N@@H+]1CCCC[C@H]1CC#CC=O 258319975 573370144 /nfs/dbraw/zinc/37/01/44/573370144.db2.gz WASBEXWPPCIDBY-JTQLQIEISA-N 1 0 165.236 1.063 10 30 ADEERO C#CC[NH+](CC#C)CCCC=C 308370354 573370153 /nfs/dbraw/zinc/37/01/53/573370153.db2.gz KKMWLQYTGJCTSZ-UHFFFAOYSA-N 1 0 161.248 1.521 10 30 ADEERO COc1ccc(CC#N)cc1[C@H](C)[NH3+] 238380258 573370197 /nfs/dbraw/zinc/37/01/97/573370197.db2.gz ICSLUQIRHLDMOO-QMMMGPOBSA-N 1 0 190.246 1.781 10 30 ADEERO C=CCN(CC)C(=O)[C@@H]1CC[C@@H]([NH3+])C1 133055891 573370337 /nfs/dbraw/zinc/37/03/37/573370337.db2.gz VANOIZBGLKCBQM-NXEZZACHSA-N 1 0 196.294 1.148 10 30 ADEERO O=CC/C=C\C[C@H]1CCC[NH2+]1 258320097 573370378 /nfs/dbraw/zinc/37/03/78/573370378.db2.gz WCEMJWUKHGLTJI-IYABHPQVSA-N 1 0 153.225 1.274 10 30 ADEERO C=CC[N@@H+](CCO)CC/C=C\CC 308370060 573370426 /nfs/dbraw/zinc/37/04/26/573370426.db2.gz PUYYPKUQUXNSGH-WAYWQWQTSA-N 1 0 183.295 1.823 10 30 ADEERO N#C[C@H]1C[NH2+]CC[C@H]1c1cncs1 259610730 573370444 /nfs/dbraw/zinc/37/04/44/573370444.db2.gz GRIAYGUTUQIQLV-JGVFFNPUSA-N 1 0 193.275 1.360 10 30 ADEERO N#C[C@@H]1C[NH2+]CC[C@@H]1c1cncs1 259610733 573370555 /nfs/dbraw/zinc/37/05/55/573370555.db2.gz GRIAYGUTUQIQLV-SFYZADRCSA-N 1 0 193.275 1.360 10 30 ADEERO C=CCN(CC)C(=O)[C@H]1CCC[C@@H]1[NH3+] 133054035 573370612 /nfs/dbraw/zinc/37/06/12/573370612.db2.gz XSHRBMWVJFZZOI-UWVGGRQHSA-N 1 0 196.294 1.148 10 30 ADEERO C=CC[C@H](C)[C@H](O)[C@@H]1CC[C@H](C)[NH2+]C1 715785070 573370648 /nfs/dbraw/zinc/37/06/48/573370648.db2.gz BRRIDVDEDANVCP-YFKTTZPYSA-N 1 0 197.322 1.948 10 30 ADEERO C#C/C(C)=C/CC[NH2+]CCC 211807771 573370707 /nfs/dbraw/zinc/37/07/07/573370707.db2.gz UEOWTDKBJYQILZ-JXMROGBWSA-N 1 0 151.253 1.956 10 30 ADEERO C=CCN(CC)C(=O)[C@H]1CCC[C@H]1[NH3+] 133054442 573370731 /nfs/dbraw/zinc/37/07/31/573370731.db2.gz XSHRBMWVJFZZOI-VHSXEESVSA-N 1 0 196.294 1.148 10 30 ADEERO C[C@@H]1CC[C@H]([NH2+]CCC#N)[C@@H]1C 83043283 573370809 /nfs/dbraw/zinc/37/08/09/573370809.db2.gz XYQTZDUMPQMHRK-BBBLOLIVSA-N 1 0 166.268 1.924 10 30 ADEERO C=C(CC[NH3+])Cc1ccco1 258319973 573370867 /nfs/dbraw/zinc/37/08/67/573370867.db2.gz WARFHCUWKPTXOP-UHFFFAOYSA-N 1 0 151.209 1.727 10 30 ADEERO C=CCCCc1nc(CCC[NH3+])no1 308861708 573370873 /nfs/dbraw/zinc/37/08/73/573370873.db2.gz VMQRFVHYONKWLU-UHFFFAOYSA-N 1 0 195.266 1.470 10 30 ADEERO CC1(C)CCC(C[NH3+])([C@H](O)C=O)CC1 117834863 573370990 /nfs/dbraw/zinc/37/09/90/573370990.db2.gz QJVZUMIGQSCQQQ-SECBINFHSA-N 1 0 199.294 1.092 10 30 ADEERO C=C(C[NH2+]C)[C@@H]1CCCSC1 258325879 573371050 /nfs/dbraw/zinc/37/10/50/573371050.db2.gz WNNKHIWLOQOAAG-SECBINFHSA-N 1 0 171.309 1.905 10 30 ADEERO CC(C)[N@@H+]1CCCC[C@H]1CC#CCO 258319971 573371137 /nfs/dbraw/zinc/37/11/37/573371137.db2.gz WAQYJPYCIPCPIQ-LBPRGKRZSA-N 1 0 195.306 1.635 10 30 ADEERO C[NH2+][C@@H](CO)c1cccc(C#N)c1C 238369960 573371251 /nfs/dbraw/zinc/37/12/51/573371251.db2.gz SIBYQYRCTRNIMI-NSHDSACASA-N 1 0 190.246 1.120 10 30 ADEERO C=C(CC)C[NH2+]CC(=O)NCCCC 313505616 573371253 /nfs/dbraw/zinc/37/12/53/573371253.db2.gz YQKCPOPSOZWNBD-UHFFFAOYSA-N 1 0 198.310 1.459 10 30 ADEERO C=C[C@@H]([NH3+])c1cc(OC)cc(C)c1O 238370358 573371271 /nfs/dbraw/zinc/37/12/71/573371271.db2.gz UEOCSPVTDBYTRN-SNVBAGLBSA-N 1 0 193.246 1.895 10 30 ADEERO C=CCN(CC)C(=O)C[C@H](C)C[NH3+] 133057557 573371412 /nfs/dbraw/zinc/37/14/12/573371412.db2.gz TTWOEVDNWDYSCO-VIFPVBQESA-N 1 0 184.283 1.006 10 30 ADEERO O=CC/C=C\C[C@@H]1CCC[NH2+]1 258320100 573371450 /nfs/dbraw/zinc/37/14/50/573371450.db2.gz WCEMJWUKHGLTJI-JKERVTFKSA-N 1 0 153.225 1.274 10 30 ADEERO C=CC[C@H](C)[C@@H](O)CC[C@H](C)C[NH3+] 715788972 573378780 /nfs/dbraw/zinc/37/87/80/573378780.db2.gz SZQUBOKFIFGJTA-DCAQKATOSA-N 1 0 185.311 1.935 10 30 ADEERO C=CCO[C@@H](C)C[NH2+]Cc1ncc[nH]1 308565575 573379240 /nfs/dbraw/zinc/37/92/40/573379240.db2.gz YEAQOZBBNAJMDM-VIFPVBQESA-N 1 0 195.266 1.090 10 30 ADEERO CCCCNC(=[NH2+])N[C@@H]1C[C@H]1C 308377938 573379542 /nfs/dbraw/zinc/37/95/42/573379542.db2.gz OTOGYUNIZWPLJY-HTQZYQBOSA-N 1 0 169.272 1.099 10 30 ADEERO C=C[C@H](C)[C@H]([NH3+])CCC(C)(C)O 238373312 573379713 /nfs/dbraw/zinc/37/97/13/573379713.db2.gz HUGOUNOIOXGENF-DTWKUNHWSA-N 1 0 171.284 1.687 10 30 ADEERO C=CCOCC[NH2+][C@@H](C)c1ncc[nH]1 308565668 573379717 /nfs/dbraw/zinc/37/97/17/573379717.db2.gz HNNOMQLRCPYHCF-VIFPVBQESA-N 1 0 195.266 1.263 10 30 ADEERO C[C@@H]([NH3+])c1cnn(CCCCC#N)c1 308566414 573383910 /nfs/dbraw/zinc/38/39/10/573383910.db2.gz YORPODWYTNECNP-SECBINFHSA-N 1 0 192.266 1.597 10 30 ADEERO C=CC[NH2+]CC(=O)C1CC2(CCC2)C1 717625484 573384012 /nfs/dbraw/zinc/38/40/12/573384012.db2.gz CYRNKXWGAVQUQD-UHFFFAOYSA-N 1 0 193.290 1.911 10 30 ADEERO C=CCC[NH2+][C@H](CCOC)COC 308373017 573384262 /nfs/dbraw/zinc/38/42/62/573384262.db2.gz LXUMEQPZDIJIEC-SNVBAGLBSA-N 1 0 187.283 1.204 10 30 ADEERO C#CC[N@H+](C)CC[C@@H]1CCCC[C@H]1[NH3+] 308566784 573384394 /nfs/dbraw/zinc/38/43/94/573384394.db2.gz IBORZFJIWWCVNU-NWDGAFQWSA-N 1 0 194.322 1.459 10 30 ADEERO C=CC[C@@H](C)[N@@H+]1CC[C@@H](C#N)C1 715788936 573386442 /nfs/dbraw/zinc/38/64/42/573386442.db2.gz SLKUMWIJTYMKBM-ZJUUUORDSA-N 1 0 164.252 1.796 10 30 ADEERO C=CC[C@H](C)[C@@H](O)C1=CC[C@H]([NH3+])C1 715788340 573385881 /nfs/dbraw/zinc/38/58/81/573385881.db2.gz QAVJJTYLEOYOHA-INTQDDNPSA-N 1 0 181.279 1.607 10 30 ADEERO C=CC[C@@H]([NH2+]C)c1cncn1C 126168321 573385894 /nfs/dbraw/zinc/38/58/94/573385894.db2.gz IWLNKGGTJKPYGD-MRVPVSSYSA-N 1 0 165.240 1.257 10 30 ADEERO C=CC[C@H](C)[C@H](O)C1=CC[C@H]([NH3+])C1 715788342 573385914 /nfs/dbraw/zinc/38/59/14/573385914.db2.gz QAVJJTYLEOYOHA-LSJOCFKGSA-N 1 0 181.279 1.607 10 30 ADEERO C=CCNCC[NH2+]C[C@@H](C)C1CC1 133220618 573385997 /nfs/dbraw/zinc/38/59/97/573385997.db2.gz CJAIJHZAMRHAIY-SNVBAGLBSA-N 1 0 182.311 1.398 10 30 ADEERO C=C[C@H]([NH3+])c1ccc(NC)cc1 211717312 573386018 /nfs/dbraw/zinc/38/60/18/573386018.db2.gz LGZKEMPMGLMDLQ-JTQLQIEISA-N 1 0 162.236 1.914 10 30 ADEERO C#CC[C@@H](CC)[NH2+]Cc1[nH]ncc1C 308567341 573386019 /nfs/dbraw/zinc/38/60/19/573386019.db2.gz BBMRQTYQYXRWTQ-SNVBAGLBSA-N 1 0 191.278 1.610 10 30 ADEERO C=CCO[C@@H](C)CNC(=[NH2+])NC(C)C 308566418 573386034 /nfs/dbraw/zinc/38/60/34/573386034.db2.gz YOYMWHAWXJAIQZ-VIFPVBQESA-N 1 0 199.298 1.100 10 30 ADEERO CC(C)([NH3+])[C@H](O)c1ccc(C#N)cc1 135608041 573388999 /nfs/dbraw/zinc/38/89/99/573388999.db2.gz PWYDRIWSCHLXNT-SNVBAGLBSA-N 1 0 190.246 1.329 10 30 ADEERO C[NH2+]CC#Cc1ccc(Cl)o1 258013635 573389016 /nfs/dbraw/zinc/38/90/16/573389016.db2.gz BFNPIEUTDIVAOM-UHFFFAOYSA-N 1 0 169.611 1.504 10 30 ADEERO C=CC[C@@H](C)[C@@H](CN1CCC1)[NH2+]CC 715792610 573389058 /nfs/dbraw/zinc/38/90/58/573389058.db2.gz DGGXYIGNTLPVCH-VXGBXAGGSA-N 1 0 196.338 1.882 10 30 ADEERO Cc1[nH+]cc2n1[C@H](C=O)CCC2 107160306 573389080 /nfs/dbraw/zinc/38/90/80/573389080.db2.gz WCJCNZFJGZFWMJ-VIFPVBQESA-N 1 0 164.208 1.268 10 30 ADEERO CC[C@@H]([NH3+])[C@H](O)c1cccc(C#N)c1 135607660 573388371 /nfs/dbraw/zinc/38/83/71/573388371.db2.gz WWHSBAUCBMMRSQ-GHMZBOCLSA-N 1 0 190.246 1.329 10 30 ADEERO CC[C@@H]([NH3+])[C@H](O)c1ccc(C#N)cc1 135607566 573388649 /nfs/dbraw/zinc/38/86/49/573388649.db2.gz HDSABIWSQVNSSC-GHMZBOCLSA-N 1 0 190.246 1.329 10 30 ADEERO COC[C@@H]([NH3+])c1cc(C)ccc1C#N 238376245 573388661 /nfs/dbraw/zinc/38/86/61/573388661.db2.gz QILWTLCZNRTGFZ-LLVKDONJSA-N 1 0 190.246 1.513 10 30 ADEERO C=C(C[NH3+])Cc1cccc(OC)c1 258309873 573388764 /nfs/dbraw/zinc/38/87/64/573388764.db2.gz VKLAPMZYCQKWGQ-UHFFFAOYSA-N 1 0 177.247 1.753 10 30 ADEERO CC(C)C[NH+]1CCC(C#N)(C#N)CC1 259436026 573388804 /nfs/dbraw/zinc/38/88/04/573388804.db2.gz UUWHNTJBXFORQN-UHFFFAOYSA-N 1 0 191.278 1.772 10 30 ADEERO CC[C@H](CC#N)[NH2+][C@@H]1CCC[C@@H]1OC 50373017 573396636 /nfs/dbraw/zinc/39/66/36/573396636.db2.gz WYWXKUWORCKHFI-MXWKQRLJSA-N 1 0 196.294 1.836 10 30 ADEERO C=C[C@H]([NH3+])c1cc(OC)ccn1 238386044 573396647 /nfs/dbraw/zinc/39/66/47/573396647.db2.gz JLEBLKIOJXPMJJ-QMMMGPOBSA-N 1 0 164.208 1.276 10 30 ADEERO CC(C)(C)O[NH+]=Cc1ccc(N)nc1 308573883 573397030 /nfs/dbraw/zinc/39/70/30/573397030.db2.gz LPPAOIQUWCTXQS-UHFFFAOYSA-N 1 0 193.250 1.813 10 30 ADEERO C=C(C)C[C@@H]([NH2+]C)c1cncn1C 126172268 573398662 /nfs/dbraw/zinc/39/86/62/573398662.db2.gz CDZQJKZYDQIHCD-SECBINFHSA-N 1 0 179.267 1.647 10 30 ADEERO C#Cc1cccc([C@H](C)[NH3+])c1 211729283 573398142 /nfs/dbraw/zinc/39/81/42/573398142.db2.gz QSRAXICPZGKNHP-QMMMGPOBSA-N 1 0 145.205 1.688 10 30 ADEERO C=CC[C@@H](C)[NH2+][C@H](C)c1nncn1C 308573047 573398190 /nfs/dbraw/zinc/39/81/90/573398190.db2.gz LJZMNNFDPLMGQH-RKDXNWHRSA-N 1 0 194.282 1.430 10 30 ADEERO COc1c(C#N)cccc1C[C@@H](C)[NH3+] 238386887 573398223 /nfs/dbraw/zinc/39/82/23/573398223.db2.gz XCDOIEHFFQRPGE-MRVPVSSYSA-N 1 0 190.246 1.457 10 30 ADEERO C#C[C@@H]([NH2+]CC1(CC)COC1)C(C)C 308571255 573398241 /nfs/dbraw/zinc/39/82/41/573398241.db2.gz CBQMEMPOZIBLCW-LLVKDONJSA-N 1 0 195.306 1.660 10 30 ADEERO C=CCC[C@@H](CC)[NH2+][C@@H](C)C(=O)NC 308572457 573398419 /nfs/dbraw/zinc/39/84/19/573398419.db2.gz CKJMBEJLTPRYAX-VHSXEESVSA-N 1 0 198.310 1.455 10 30 ADEERO C=CC[C@@H](C)[NH2+][C@@H](C)c1nncn1C 308573042 573398715 /nfs/dbraw/zinc/39/87/15/573398715.db2.gz LJZMNNFDPLMGQH-BDAKNGLRSA-N 1 0 194.282 1.430 10 30 ADEERO Cc1[nH]c2cc(C#N)ccc2c1C[NH3+] 257810670 573398735 /nfs/dbraw/zinc/39/87/35/573398735.db2.gz AOGVETWQSHXQGE-UHFFFAOYSA-N 1 0 185.230 1.807 10 30 ADEERO C=C[C@H](C)[NH2+][C@@H](COC)[C@@H]1CCCO1 308572180 573398781 /nfs/dbraw/zinc/39/87/81/573398781.db2.gz CIPLWRNKEPYMJN-DCAQKATOSA-N 1 0 199.294 1.345 10 30 ADEERO CC[C@@H](C#N)C[N@H+](C)C1CCOCC1 259094696 573398843 /nfs/dbraw/zinc/39/88/43/573398843.db2.gz 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/nfs/dbraw/zinc/41/64/31/573416431.db2.gz XKBXWVMFWZMKEW-NSHDSACASA-N 1 0 183.295 1.657 10 30 ADEERO CCCCNC(=[NH+]CC)N(C)C 308387944 573416435 /nfs/dbraw/zinc/41/64/35/573416435.db2.gz WBLZQZAHQFLIDT-UHFFFAOYSA-N 1 0 171.288 1.314 10 30 ADEERO CN(CCC#N)[C@H]1CCC[C@H]([NH3+])C1 86409932 573416454 /nfs/dbraw/zinc/41/64/54/573416454.db2.gz BXGOQTGTBOZJKA-UWVGGRQHSA-N 1 0 181.283 1.102 10 30 ADEERO CC(C)[N@@H+]1C[C@H](C#N)C[C@H]1C 107218991 573417167 /nfs/dbraw/zinc/41/71/67/573417167.db2.gz FDPCFSWKQTXIIS-BDAKNGLRSA-N 1 0 152.241 1.629 10 30 ADEERO CCO[C@]1(C=O)CCC[N@H+](CC)C1 257810698 573416581 /nfs/dbraw/zinc/41/65/81/573416581.db2.gz APKAEHLVANKAIO-SNVBAGLBSA-N 1 0 185.267 1.076 10 30 ADEERO CC[C@H]1C[C@@H](C#N)CC[N@@H+]1C 107218956 573416616 /nfs/dbraw/zinc/41/66/16/573416616.db2.gz PQPSIZARTYCBJF-IUCAKERBSA-N 1 0 152.241 1.630 10 30 ADEERO CC(C)[N@@H+]1CCC[C@H]([C@H](F)C=O)C1 257810716 573416626 /nfs/dbraw/zinc/41/66/26/573416626.db2.gz AQGMOALKAFODFQ-VHSXEESVSA-N 1 0 187.258 1.644 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/nfs/dbraw/zinc/41/94/78/573419478.db2.gz VVUDGCWRJDYGAZ-DTWKUNHWSA-N 1 0 152.241 1.486 10 30 ADEERO N#Cc1cnc2ccc(CC[NH3+])cc2c1 214886443 573419514 /nfs/dbraw/zinc/41/95/14/573419514.db2.gz SCQPRLIPJQMDIP-UHFFFAOYSA-N 1 0 197.241 1.608 10 30 ADEERO C[C@H]1C[C@H](C#N)C[N@@H+]1C1CC1 107218616 573419619 /nfs/dbraw/zinc/41/96/19/573419619.db2.gz PMNBHEAMNLUWAU-JGVFFNPUSA-N 1 0 150.225 1.383 10 30 ADEERO CC(C)[N@@H+]1C[C@H](C#N)C[C@@H]1C 107218993 573419640 /nfs/dbraw/zinc/41/96/40/573419640.db2.gz FDPCFSWKQTXIIS-IUCAKERBSA-N 1 0 152.241 1.629 10 30 ADEERO C[C@H]1[C@@H](C#N)CC(C)(C)[N@@H+]1C 107218983 573419755 /nfs/dbraw/zinc/41/97/55/573419755.db2.gz CYCPMVNWPCLBKT-JGVFFNPUSA-N 1 0 152.241 1.629 10 30 ADEERO C[NH2+][C@H](CC#N)C1CCC1 259444210 573419789 /nfs/dbraw/zinc/41/97/89/573419789.db2.gz OQULPQVRVVNPNH-MRVPVSSYSA-N 1 0 138.214 1.288 10 30 ADEERO CC[C@H]1[C@H](CC#N)CC[N@@H+]1C 107219000 573419814 /nfs/dbraw/zinc/41/98/14/573419814.db2.gz VAVSKUXFNDVLDU-BDAKNGLRSA-N 1 0 152.241 1.630 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/nfs/dbraw/zinc/75/53/54/573755354.db2.gz CSVHZVNJBVKSIL-VHSXEESVSA-N 1 0 166.268 1.924 10 30 ADEERO CC(C)[C@@H]1C[C@H](C#N)C[NH2+]1 108331077 573755408 /nfs/dbraw/zinc/75/54/08/573755408.db2.gz VRQDNKZRUJMMTM-SFYZADRCSA-N 1 0 138.214 1.144 10 30 ADEERO C[C@@H]1C[C@@H](C)C[NH+](CCS)C1 87055340 573755411 /nfs/dbraw/zinc/75/54/11/573755411.db2.gz XQXRHPGSVIMTSV-RKDXNWHRSA-N 1 0 173.325 1.894 10 30 ADEERO CN(CCC#N)Cc1cc[nH]c1 258913917 573755430 /nfs/dbraw/zinc/75/54/30/573755430.db2.gz MNNUWRQMOHVLTJ-UHFFFAOYSA-N 1 0 163.224 1.360 10 30 ADEERO CC(C)(CS)C[N@@H+]1CC[C@H](O)C1 87051649 573755436 /nfs/dbraw/zinc/75/54/36/573755436.db2.gz ORTDIGYKZWXRGO-QMMMGPOBSA-N 1 0 189.324 1.009 10 30 ADEERO SCC[NH+]1Cc2ccccc2C1 87051029 573755537 /nfs/dbraw/zinc/75/55/37/573755537.db2.gz BCANMMVYSCEJTL-UHFFFAOYSA-N 1 0 179.288 1.932 10 30 ADEERO C[NH+](C)CCCCCS 87055831 573755550 /nfs/dbraw/zinc/75/55/50/573755550.db2.gz BTRRKMZXZMBFJK-UHFFFAOYSA-N 1 0 147.287 1.648 10 30 ADEERO CC[C@@H](CS)C[N@H+](C)CC 87056740 573755598 /nfs/dbraw/zinc/75/55/98/573755598.db2.gz ZOEMLZJOYOYWRS-MRVPVSSYSA-N 1 0 161.314 1.894 10 30 ADEERO SC/C=C/C[NH+]1CCSCC1 87056506 573755614 /nfs/dbraw/zinc/75/56/14/573755614.db2.gz VGTLJWNBQULYLT-OWOJBTEDSA-N 1 0 189.349 1.521 10 30 ADEERO C=C[C@H]([NH3+])c1ccnc(NC(C)=O)c1 238077798 573755686 /nfs/dbraw/zinc/75/56/86/573755686.db2.gz LORRETBQPMRGKQ-VIFPVBQESA-N 1 0 191.234 1.226 10 30 ADEERO CC(C)[N@@H+](C)C[C@H](C)CS 87055168 573755720 /nfs/dbraw/zinc/75/57/20/573755720.db2.gz YHQDRDROTCSMHK-QMMMGPOBSA-N 1 0 161.314 1.893 10 30 ADEERO C[C@@H](CCS)CC[NH+](C)C 87055873 573755753 /nfs/dbraw/zinc/75/57/53/573755753.db2.gz IYFLSSFNVWZZKG-MRVPVSSYSA-N 1 0 161.314 1.894 10 30 ADEERO N#CCCC[NH2+]CCc1cc[nH]c1 258915862 573755821 /nfs/dbraw/zinc/75/58/21/573755821.db2.gz MXGMZMLGPIMSCB-UHFFFAOYSA-N 1 0 177.251 1.451 10 30 ADEERO Cc1cc(C#N)cc(OCC[NH3+])c1 238498553 573755965 /nfs/dbraw/zinc/75/59/65/573755965.db2.gz XUJZIBVVRIZGLQ-UHFFFAOYSA-N 1 0 176.219 1.204 10 30 ADEERO SCCCC[NH+]1CCCC1 87054303 573755968 /nfs/dbraw/zinc/75/59/68/573755968.db2.gz FPPJYUZTQXZLKB-UHFFFAOYSA-N 1 0 159.298 1.792 10 30 ADEERO C=CC[C@](C)([NH3+])[C@@H]1CCCCO1 238498516 573756047 /nfs/dbraw/zinc/75/60/47/573756047.db2.gz MLMBFBTVYOJCSB-UWVGGRQHSA-N 1 0 169.268 1.849 10 30 ADEERO CC(C)C[N@H+](CCC#N)CC(C)(C)O 43417577 573756063 /nfs/dbraw/zinc/75/60/63/573756063.db2.gz YBXYBIFLCGRBDI-UHFFFAOYSA-N 1 0 198.310 1.629 10 30 ADEERO C[C@H]1C[NH+](CCCS)C[C@H](C)O1 87054672 573756120 /nfs/dbraw/zinc/75/61/20/573756120.db2.gz ITDNEOUKTHBIBC-IUCAKERBSA-N 1 0 189.324 1.416 10 30 ADEERO CC(C)[N@@H+]1CCCC[C@H]1CC#CC=O 258120970 573756178 /nfs/dbraw/zinc/75/61/78/573756178.db2.gz IJQPZZGXUJESQN-LBPRGKRZSA-N 1 0 193.290 1.842 10 30 ADEERO C[N@H+](CCS)C1CC1 87057100 573756207 /nfs/dbraw/zinc/75/62/07/573756207.db2.gz SJVWGLWJQKSPPN-UHFFFAOYSA-N 1 0 131.244 1.010 10 30 ADEERO CC(C)(C)C[C@@H](O)[C@@H]([NH3+])CC#N 259564987 573756305 /nfs/dbraw/zinc/75/63/05/573756305.db2.gz 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/nfs/dbraw/zinc/75/65/29/573756529.db2.gz MQWHHWFOYJQMIB-MRVPVSSYSA-N 1 0 159.298 1.648 10 30 ADEERO C[C@@H](/C(N)=N/O)[N@@H+]1C[C@H](C)CC[C@H]1C 84050845 573756536 /nfs/dbraw/zinc/75/65/36/573756536.db2.gz NJSBGRXGVILWMF-HLTSFMKQSA-N 1 0 199.298 1.242 10 30 ADEERO C#CCN(CC=C)C[C@H](C)C[NH2+]CC 308697095 573756554 /nfs/dbraw/zinc/75/65/54/573756554.db2.gz UANHUWKFHURZPB-GFCCVEGCSA-N 1 0 194.322 1.353 10 30 ADEERO C[C@@H]([NH3+])COc1cc(F)cc(C#N)c1 306705952 573756558 /nfs/dbraw/zinc/75/65/58/573756558.db2.gz IFKJGTIJERODLO-SSDOTTSWSA-N 1 0 194.209 1.423 10 30 ADEERO C[C@H]1CC[C@@H](C)C[N@H+]1CC[C@H](N)C#N 84052597 573756560 /nfs/dbraw/zinc/75/65/60/573756560.db2.gz JSORKEXBETWKIQ-VWYCJHECSA-N 1 0 195.310 1.348 10 30 ADEERO C[C@@H]1C[NH+](CCCS)C[C@@H](C)O1 87054673 573756571 /nfs/dbraw/zinc/75/65/71/573756571.db2.gz ITDNEOUKTHBIBC-RKDXNWHRSA-N 1 0 189.324 1.416 10 30 ADEERO C[NH+](C)CC1(CS)CCOCC1 87055860 573756580 /nfs/dbraw/zinc/75/65/80/573756580.db2.gz GNPAKRLALLHIQM-UHFFFAOYSA-N 1 0 189.324 1.275 10 30 ADEERO C[C@@H](C#N)NCC[C@H]1CCC[N@H+](C)C1 258911424 573756596 /nfs/dbraw/zinc/75/65/96/573756596.db2.gz ZALAJXQRHIVEFN-WDEREUQCSA-N 1 0 195.310 1.220 10 30 ADEERO CCO[C@@]1(C=O)CCC[N@H+](CC)CC1 257866106 573756625 /nfs/dbraw/zinc/75/66/25/573756625.db2.gz POBMJESCDPOREJ-NSHDSACASA-N 1 0 199.294 1.466 10 30 ADEERO N#C[C@@H]1C[NH2+][C@@H](CC2CC2)C1 108331249 573756635 /nfs/dbraw/zinc/75/66/35/573756635.db2.gz USVYQRIYJRWUEZ-BDAKNGLRSA-N 1 0 150.225 1.288 10 30 ADEERO C#CC[C@H](CC)[NH2+]Cc1ncc[nH]1 126973332 573756675 /nfs/dbraw/zinc/75/66/75/573756675.db2.gz XGKKEOHMNJIYBY-VIFPVBQESA-N 1 0 177.251 1.301 10 30 ADEERO C[C@@H](CS)C[NH+]1CCSCC1 87056491 573756679 /nfs/dbraw/zinc/75/66/79/573756679.db2.gz QGRUXYCVVYETOC-MRVPVSSYSA-N 1 0 191.365 1.601 10 30 ADEERO C[C@H]1C[C@@H]1C[N@H+](C)CCS 87053354 573756688 /nfs/dbraw/zinc/75/66/88/573756688.db2.gz PTGIDDYPZBXVAU-JGVFFNPUSA-N 1 0 159.298 1.504 10 30 ADEERO C[C@@H](CS)C[NH+]1CCC(O)CC1 87055479 573756701 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195.310 1.348 10 30 ADEERO SCCCC[NH+]1CCSCC1 87056460 573757077 /nfs/dbraw/zinc/75/70/77/573757077.db2.gz GFOHZSWQLHHXJD-UHFFFAOYSA-N 1 0 191.365 1.745 10 30 ADEERO C[N@H+](CCS)CC1CCC1 87051526 573757098 /nfs/dbraw/zinc/75/70/98/573757098.db2.gz MLXUBEUCZCPBAH-UHFFFAOYSA-N 1 0 159.298 1.648 10 30 ADEERO C[C@H]1C[NH+](CCS)C[C@H](C)S1 87053568 573757169 /nfs/dbraw/zinc/75/71/69/573757169.db2.gz QPSXTDBLSPJMSH-YUMQZZPRSA-N 1 0 191.365 1.742 10 30 ADEERO C[C@H]1C[C@@H](C)C[N@H+](CCS)C1 87055336 573757183 /nfs/dbraw/zinc/75/71/83/573757183.db2.gz XQXRHPGSVIMTSV-DTORHVGOSA-N 1 0 173.325 1.894 10 30 ADEERO CCC[C@H](CS)C[NH+](C)C 87055842 573757208 /nfs/dbraw/zinc/75/72/08/573757208.db2.gz ZDDSUYHBADUHCX-QMMMGPOBSA-N 1 0 161.314 1.894 10 30 ADEERO C#CCN(CC=C)CC[NH2+]C(C)(C)C 308708768 573757271 /nfs/dbraw/zinc/75/72/71/573757271.db2.gz XQAPFNIMQCZWGU-UHFFFAOYSA-N 1 0 194.322 1.496 10 30 ADEERO CC(C)[C@H]1C[C@H](CC#N)CC[NH2+]1 259564994 573757287 /nfs/dbraw/zinc/75/72/87/573757287.db2.gz 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ATBOLODMZJYOGF-MRVPVSSYSA-N 1 0 190.250 1.073 10 30 ADEERO C=CCN(CCC)C(=O)CC[C@H](C)[NH3+] 131251774 573804478 /nfs/dbraw/zinc/80/44/78/573804478.db2.gz SYRFVZQYUXIHCI-JTQLQIEISA-N 1 0 198.310 1.538 10 30 ADEERO C[NH+](C)[C@@H](CC#N)C(C)(C)C 259571321 573804510 /nfs/dbraw/zinc/80/45/10/573804510.db2.gz PEKGAEFFRKGFTQ-QMMMGPOBSA-N 1 0 154.257 1.876 10 30 ADEERO C=CC[N@H+]1CC[C@H](CO)CC1(C)C 259571283 573803982 /nfs/dbraw/zinc/80/39/82/573803982.db2.gz YQWVMSLWWRARQR-JTQLQIEISA-N 1 0 183.295 1.655 10 30 ADEERO C[Si](C)(C)C#C[C@@H]1C[NH2+]CCC1=O 238515754 573803983 /nfs/dbraw/zinc/80/39/83/573803983.db2.gz OWLASECBKLPYTH-SECBINFHSA-N 1 0 195.338 1.046 10 30 ADEERO C=CCN(CCC)C(=O)C[C@H](C)[NH3+] 131253721 573803992 /nfs/dbraw/zinc/80/39/92/573803992.db2.gz WKLIDQVVAAXZCI-VIFPVBQESA-N 1 0 184.283 1.148 10 30 ADEERO Cc1cc(C2([NH3+])CC2)ccc1C#N 238516642 573804166 /nfs/dbraw/zinc/80/41/66/573804166.db2.gz PPLGVKRZRCADBJ-UHFFFAOYSA-N 1 0 172.231 1.815 10 30 ADEERO C=CCN(CCC)C(=O)C(C)(C)[NH2+]C 131256268 573804242 /nfs/dbraw/zinc/80/42/42/573804242.db2.gz DINPVGUFSSOQBB-UHFFFAOYSA-N 1 0 198.310 1.409 10 30 ADEERO Cc1ccc([C@@H]2CC[NH2+]C2)c(C#N)c1 238516236 573805212 /nfs/dbraw/zinc/80/52/12/573805212.db2.gz FZLVJTVKXLDTIT-SNVBAGLBSA-N 1 0 186.258 1.944 10 30 ADEERO C=CC[NH2+][C@H](C)CCC(=O)OCC 308438987 573805295 /nfs/dbraw/zinc/80/52/95/573805295.db2.gz XZTMAPSDLKROBO-SECBINFHSA-N 1 0 185.267 1.494 10 30 ADEERO CC(C)(C)C[NH2+]CC1(C#N)COC1 258958403 573804617 /nfs/dbraw/zinc/80/46/17/573804617.db2.gz KCFQKFXSMFKNLQ-UHFFFAOYSA-N 1 0 182.267 1.162 10 30 ADEERO C[Si](C)(C)C#C[C@H]1CCC[C@H]1[NH3+] 238516581 573804632 /nfs/dbraw/zinc/80/46/32/573804632.db2.gz ULOQYQVCVDASEZ-NXEZZACHSA-N 1 0 181.355 1.995 10 30 ADEERO C[Si](C)(C)C#C[C@H]([NH3+])C1CC1 238515954 573804730 /nfs/dbraw/zinc/80/47/30/573804730.db2.gz ICAMUGNGLMFULX-VIFPVBQESA-N 1 0 167.328 1.605 10 30 ADEERO C[C@H](C#N)O[C@@H]1CCCC[C@@H]1C[NH3+] 84241663 573804910 /nfs/dbraw/zinc/80/49/10/573804910.db2.gz 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573807228 /nfs/dbraw/zinc/80/72/28/573807228.db2.gz JIGKTGHABDUHFW-SYBPUXJVSA-N 1 0 167.252 1.664 10 30 ADEERO N#Cc1cc(CCC[NH3+])cc(F)c1O 258138744 573807244 /nfs/dbraw/zinc/80/72/44/573807244.db2.gz SHZZOWTWHWITTD-UHFFFAOYSA-N 1 0 194.209 1.294 10 30 ADEERO [NH3+]C[C@@H](CS)c1ccccn1 258136323 573807361 /nfs/dbraw/zinc/80/73/61/573807361.db2.gz MDVDEXOJDZHEPJ-ZETCQYMHSA-N 1 0 168.265 1.054 10 30 ADEERO C[NH2+]C[C@H](C#N)c1cccc(F)c1 258516630 573807428 /nfs/dbraw/zinc/80/74/28/573807428.db2.gz FWWUHUJZJUDZDC-VIFPVBQESA-N 1 0 178.210 1.652 10 30 ADEERO Cc1cc(CC[NH2+]CC=O)ccc1F 258956369 573807491 /nfs/dbraw/zinc/80/74/91/573807491.db2.gz VJQGNPIKOQYBEK-UHFFFAOYSA-N 1 0 195.237 1.465 10 30 ADEERO [NH3+]C[C@H](CS)c1ccccn1 258136322 573807819 /nfs/dbraw/zinc/80/78/19/573807819.db2.gz MDVDEXOJDZHEPJ-SSDOTTSWSA-N 1 0 168.265 1.054 10 30 ADEERO N#Cc1c(F)cccc1C1C[NH2+]C1 238530299 573807822 /nfs/dbraw/zinc/80/78/22/573807822.db2.gz BBOYRGLYXUZHDX-UHFFFAOYSA-N 1 0 176.194 1.384 10 30 ADEERO O=CC/C=C\C[C@@H]1CCCC[NH2+]1 258136404 573807907 /nfs/dbraw/zinc/80/79/07/573807907.db2.gz JIGKTGHABDUHFW-JWXWKVPASA-N 1 0 167.252 1.664 10 30 ADEERO C[C@@H](O)CC(C)(C)C[NH2+]C[C@@H](C)C#N 393651770 573807978 /nfs/dbraw/zinc/80/79/78/573807978.db2.gz CMNNHCFZPGHJQR-VHSXEESVSA-N 1 0 198.310 1.533 10 30 ADEERO C[C@H](O)CC(C)(C)C[NH2+]C[C@H](C)C#N 393651773 573808252 /nfs/dbraw/zinc/80/82/52/573808252.db2.gz CMNNHCFZPGHJQR-ZJUUUORDSA-N 1 0 198.310 1.533 10 30 ADEERO COCC[N@H+](C(C)C)[C@@H](C)CC#N 131278060 573808275 /nfs/dbraw/zinc/80/82/75/573808275.db2.gz HRFBKTVZUFDQOC-JTQLQIEISA-N 1 0 184.283 1.645 10 30 ADEERO C[C@H](O)CC(C)(C)C[NH2+]C[C@@H](C)C#N 393651766 573810476 /nfs/dbraw/zinc/81/04/76/573810476.db2.gz CMNNHCFZPGHJQR-UWVGGRQHSA-N 1 0 198.310 1.533 10 30 ADEERO C=C[C@@H]([NH3+])c1cc(F)cc(C)c1N 238529215 573810662 /nfs/dbraw/zinc/81/06/62/573810662.db2.gz HOHQDTMQKWWLQE-SECBINFHSA-N 1 0 180.226 1.902 10 30 ADEERO Cc1ccc(C#N)c([C@H]2CC[NH2+]C2)c1 238530015 573810715 /nfs/dbraw/zinc/81/07/15/573810715.db2.gz XWCZOWHGRNNVIT-NSHDSACASA-N 1 0 186.258 1.944 10 30 ADEERO C=C[C@H]1C[NH2+]CC[C@@H]1CC#N 238122204 573810749 /nfs/dbraw/zinc/81/07/49/573810749.db2.gz LKBKSHAZRFDVLH-IUCAKERBSA-N 1 0 150.225 1.312 10 30 ADEERO C[NH+]1CCC([C@H]2C[C@]2(C)C#N)CC1 258960466 573810860 /nfs/dbraw/zinc/81/08/60/573810860.db2.gz GQRHFJNAHGWSFV-GHMZBOCLSA-N 1 0 178.279 1.878 10 30 ADEERO Cc1c(C#N)cnc(C[NH3+])c1C(F)F 238522989 573813840 /nfs/dbraw/zinc/81/38/40/573813840.db2.gz ZSDYLSCDJDTRJE-UHFFFAOYSA-N 1 0 197.188 1.658 10 30 ADEERO N#C[C@@H]1C[NH2+]C[C@@H]1c1ccc(Cl)o1 238522468 573813953 /nfs/dbraw/zinc/81/39/53/573813953.db2.gz BKBVIXIBTOXUPL-RQJHMYQMSA-N 1 0 196.637 1.760 10 30 ADEERO CN(CCC#N)Cc1ccc(O)cc1 87178036 573814000 /nfs/dbraw/zinc/81/40/00/573814000.db2.gz MUZMBNQFOOZDKJ-UHFFFAOYSA-N 1 0 190.246 1.738 10 30 ADEERO C#CCCC[NH2+][C@H](CCCC)C(N)=O 308743351 573814035 /nfs/dbraw/zinc/81/40/35/573814035.db2.gz QASCXMAEMILGKS-SNVBAGLBSA-N 1 0 196.294 1.034 10 30 ADEERO Cc1c(C#N)cccc1[C@@](C)([NH3+])CO 238521861 573814220 /nfs/dbraw/zinc/81/42/20/573814220.db2.gz DKOYPJQULGDZTJ-NSHDSACASA-N 1 0 190.246 1.033 10 30 ADEERO Cc1c(C#N)cccc1[C@H]([NH3+])CCO 238522043 573814232 /nfs/dbraw/zinc/81/42/32/573814232.db2.gz CSUAEENICYJTPD-LLVKDONJSA-N 1 0 190.246 1.249 10 30 ADEERO CCC(CC)[C@H](C#N)NCC[NH+](C)C 41049729 573814313 /nfs/dbraw/zinc/81/43/13/573814313.db2.gz XZKKHUUJCNODRQ-NSHDSACASA-N 1 0 197.326 1.466 10 30 ADEERO COc1ccc([C@H]([NH3+])CS)cc1C 259197138 573814409 /nfs/dbraw/zinc/81/44/09/573814409.db2.gz PYEGTNHVVDJZAI-SECBINFHSA-N 1 0 197.303 1.933 10 30 ADEERO C=CCN(C(=O)C(C)(C)[NH2+]C)C1CC1 131302401 573814491 /nfs/dbraw/zinc/81/44/91/573814491.db2.gz WJTWQZKOOIVWAP-UHFFFAOYSA-N 1 0 196.294 1.161 10 30 ADEERO C=CCN(C(=O)C1([NH3+])CC1)C(C)(C)C 131320652 573823233 /nfs/dbraw/zinc/82/32/33/573823233.db2.gz SECLEWQZDMNVEQ-UHFFFAOYSA-N 1 0 196.294 1.291 10 30 ADEERO CC(C)(C#N)CC[NH2+]CC1(O)CCC1 131213014 573823256 /nfs/dbraw/zinc/82/32/56/573823256.db2.gz XNJNYJWSFMAKOU-UHFFFAOYSA-N 1 0 196.294 1.431 10 30 ADEERO CC(C)([NH3+])CCC(C)(C)C=O 238139634 573823306 /nfs/dbraw/zinc/82/33/06/573823306.db2.gz AERJZFVOSXHLEU-UHFFFAOYSA-N 1 0 157.257 1.729 10 30 ADEERO C=C[C@@H](CO)[NH2+]Cc1cc(C)oc1C 308751096 573823347 /nfs/dbraw/zinc/82/33/47/573823347.db2.gz UPRWIAZWMFFAMQ-NSHDSACASA-N 1 0 195.262 1.533 10 30 ADEERO C=CCN(CC)C(=O)[C@@](C)([NH3+])CC 131214812 573823358 /nfs/dbraw/zinc/82/33/58/573823358.db2.gz XEGJDXXUXZKRQB-JTQLQIEISA-N 1 0 184.283 1.148 10 30 ADEERO C=CCN(CC)C(=O)[C@@H](C[NH3+])C(C)C 131211797 573823385 /nfs/dbraw/zinc/82/33/85/573823385.db2.gz FIXBOIBRZZKGRR-JTQLQIEISA-N 1 0 198.310 1.252 10 30 ADEERO C=CC[C@H](C)[N@@H+](CC=C)CCO 715022349 573823457 /nfs/dbraw/zinc/82/34/57/573823457.db2.gz HSGTTXXCQXUJGM-JTQLQIEISA-N 1 0 169.268 1.431 10 30 ADEERO C[C@@H]1OCC[C@@H]1C[NH2+]CC(C)(C)C#N 405119569 573823512 /nfs/dbraw/zinc/82/35/12/573823512.db2.gz ZOAQGHNRDSGHOK-VHSXEESVSA-N 1 0 196.294 1.551 10 30 ADEERO C=[NH+]Cc1ccc([N+](=O)[O-])cc1 238140127 573823643 /nfs/dbraw/zinc/82/36/43/573823643.db2.gz GMZTUBJGJOAFPA-UHFFFAOYSA-N 1 0 164.164 1.795 10 30 ADEERO C=CCN(CC)C(=O)CCCC[NH3+] 131210495 573823758 /nfs/dbraw/zinc/82/37/58/573823758.db2.gz OJFIHWVSHZTISW-UHFFFAOYSA-N 1 0 184.283 1.150 10 30 ADEERO C[C@H]1OCC[C@H]1C[NH2+]CC(C)(C)C#N 405119570 573823850 /nfs/dbraw/zinc/82/38/50/573823850.db2.gz ZOAQGHNRDSGHOK-ZJUUUORDSA-N 1 0 196.294 1.551 10 30 ADEERO C#CCCCO[C@@H]1CCC[C@H]1[NH3+] 131415885 573826149 /nfs/dbraw/zinc/82/61/49/573826149.db2.gz KYGLBWZMSNOXIW-NXEZZACHSA-N 1 0 167.252 1.296 10 30 ADEERO C=CC[C@@H](C)OCC[NH2+]CC 715020484 573826285 /nfs/dbraw/zinc/82/62/85/573826285.db2.gz DFLRGXGTOOLPQI-SECBINFHSA-N 1 0 157.257 1.577 10 30 ADEERO C=CC[C@H](C)[NH2+][C@H]1CCCC[C@H]1O 252971220 573826377 /nfs/dbraw/zinc/82/63/77/573826377.db2.gz XRGRNCDPZMDXLX-GARJFASQSA-N 1 0 183.295 1.844 10 30 ADEERO C#CCOC[C@@H]1CCC[C@@H]1C[NH3+] 84322315 573826456 /nfs/dbraw/zinc/82/64/56/573826456.db2.gz PRJPEIIOZYSBCJ-ZJUUUORDSA-N 1 0 167.252 1.011 10 30 ADEERO C#CCCCO[C@@H]1CCC[C@@H]1[NH3+] 131415455 573826776 /nfs/dbraw/zinc/82/67/76/573826776.db2.gz KYGLBWZMSNOXIW-VHSXEESVSA-N 1 0 167.252 1.296 10 30 ADEERO C=CCN(CCC)C(=O)C[C@@H](C)C[NH3+] 131223126 573830482 /nfs/dbraw/zinc/83/04/82/573830482.db2.gz XIHLZAFBHUHJLR-SNVBAGLBSA-N 1 0 198.310 1.396 10 30 ADEERO N#CC1(C[NH2+]C2CCC2)CCC1 258965277 573830721 /nfs/dbraw/zinc/83/07/21/573830721.db2.gz SFPROYKXIRUEOK-UHFFFAOYSA-N 1 0 164.252 1.822 10 30 ADEERO CO[C@@]1(CC=O)CCC[N@H+](C)CC1 257886306 573830771 /nfs/dbraw/zinc/83/07/71/573830771.db2.gz MRSODFXZHCYHNQ-JTQLQIEISA-N 1 0 185.267 1.076 10 30 ADEERO CC(C)[C@H](C[NH+](C)C)N[C@H](C)C#N 43515458 573830794 /nfs/dbraw/zinc/83/07/94/573830794.db2.gz UJTHSVUSWXBPND-ZJUUUORDSA-N 1 0 183.299 1.074 10 30 ADEERO [NH3+][C@@H](S)c1ccc2oc(=O)[nH]c2c1 259204996 573830818 /nfs/dbraw/zinc/83/08/18/573830818.db2.gz DRAXSBCLKCNOIC-ZETCQYMHSA-N 1 0 196.231 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