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+](CC)CCCOC1CC[NH2+]CC1 ZINC000104386833 188052376 /nfs/dbraw/zinc/05/23/76/188052376.db2.gz HDYSQYXSPKZKTC-UHFFFAOYSA-N 2 1 240.391 2.043 10 30 BEEEMP C[C@@H]1C[N@H+](C2CCC(C)(C#N)CC2)C[C@@]1(C)C[NH3+] ZINC000335058554 385959618 /nfs/dbraw/zinc/95/96/18/385959618.db2.gz UVPJWBDRUTVMPJ-XSCHDIRWSA-N 2 1 249.402 2.376 10 30 BEEEMP CC(C)[C@@H](C)[N@@H+](C)Cc1ccccc1C#CC[NH3+] ZINC000049609223 167369016 /nfs/dbraw/zinc/36/90/16/167369016.db2.gz IUHJZFXNSPGRQO-CQSZACIVSA-N 2 1 244.382 2.473 10 30 BEEEMP CC[C@H](C)[N@@H+](C)Cc1ccccc1C#CC[NH3+] ZINC000049608826 171307986 /nfs/dbraw/zinc/30/79/86/171307986.db2.gz APKWOTURJUDWME-ZDUSSCGKSA-N 2 1 230.355 2.227 10 30 BEEEMP C[N@@H+](Cc1ccc(C#CC[NH3+])cc1)C1CCCC1 ZINC000049608925 172845463 /nfs/dbraw/zinc/84/54/63/172845463.db2.gz ZYGIIFBAMYTJLY-UHFFFAOYSA-N 2 1 242.366 2.371 10 30 BEEEMP C[C@@H]1CCC[N@@H+](Cc2ccccc2C#CC[NH3+])C1 ZINC000049608459 176101264 /nfs/dbraw/zinc/10/12/64/176101264.db2.gz PJCRDALHIZDCHG-CQSZACIVSA-N 2 1 242.366 2.229 10 30 BEEEMP C=CCCC[N@H+](C)CC[C@H]1CCC[NH+]1C ZINC000120574565 534706143 /nfs/dbraw/zinc/70/61/43/534706143.db2.gz TXTLLDUCYMTRTK-CYBMUJFWSA-N 2 1 210.365 2.369 10 30 BEEEMP C=CCCC[NH+](C)CC[C@H]1CCC[N@@H+]1C ZINC000120574565 534706146 /nfs/dbraw/zinc/70/61/46/534706146.db2.gz TXTLLDUCYMTRTK-CYBMUJFWSA-N 2 1 210.365 2.369 10 30 BEEEMP C=CCCC[NH+](C)CC[C@H]1CCC[N@H+]1C ZINC000120574565 534706150 /nfs/dbraw/zinc/70/61/50/534706150.db2.gz TXTLLDUCYMTRTK-CYBMUJFWSA-N 2 1 210.365 2.369 10 30 BEEEMP C[C@H]1C[NH2+]C[C@@]2(CCC[N@H+]2CCCCC#N)C1 ZINC000757132842 643258363 /nfs/dbraw/zinc/25/83/63/643258363.db2.gz RYTNFBMRPPAEDX-ZIAGYGMSSA-N 2 1 235.375 2.144 10 30 BEEEMP CC#CCC[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000155534786 345086023 /nfs/dbraw/zinc/08/60/23/345086023.db2.gz XPAKBVGEXAONDP-UHFFFAOYSA-N 2 1 245.370 2.088 10 30 BEEEMP C=C(C)C[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000105918360 358437970 /nfs/dbraw/zinc/43/79/70/358437970.db2.gz YEJPEDCRWYLTRK-UHFFFAOYSA-N 2 1 233.359 2.251 10 30 BEEEMP CCC[N@@H+](Cc1ccc(C#CC[NH3+])cc1)C1CC1 ZINC000049608965 169176226 /nfs/dbraw/zinc/17/62/26/169176226.db2.gz LJNZZZSJIIEAMP-UHFFFAOYSA-N 2 1 242.366 2.371 10 30 BEEEMP C[C@H]1C[C@@H]([NH+](C)CCCCC#N)CC[N@@H+]1C ZINC000123447276 134243777 /nfs/dbraw/zinc/24/37/77/134243777.db2.gz HEGUIZKTVNMQTJ-STQMWFEESA-N 2 1 223.364 2.095 10 30 BEEEMP C[C@H]1C[C@@H]([NH+](C)CCCCC#N)CC[N@H+]1C ZINC000123447276 134243778 /nfs/dbraw/zinc/24/37/78/134243778.db2.gz HEGUIZKTVNMQTJ-STQMWFEESA-N 2 1 223.364 2.095 10 30 BEEEMP C[C@H]1C[C@@H]([N@H+](C)CCCCC#N)CC[NH+]1C ZINC000123447276 134243779 /nfs/dbraw/zinc/24/37/79/134243779.db2.gz HEGUIZKTVNMQTJ-STQMWFEESA-N 2 1 223.364 2.095 10 30 BEEEMP C[C@H]1C[C@@H]([N@@H+](C)CCCCC#N)CC[NH+]1C ZINC000123447276 134243780 /nfs/dbraw/zinc/24/37/80/134243780.db2.gz HEGUIZKTVNMQTJ-STQMWFEESA-N 2 1 223.364 2.095 10 30 BEEEMP C[C@@H]1C[C@@H]1C[N@@H+](C)Cc1ccc(C#CC[NH3+])s1 ZINC000104412184 176392380 /nfs/dbraw/zinc/39/23/80/176392380.db2.gz MCVQSDUIZHNGFE-VXGBXAGGSA-N 2 1 248.395 2.146 10 30 BEEEMP C[C@H]1CCC[N@H+]1Cc1ccc(F)cc1C#CC[NH3+] ZINC000049608295 177109938 /nfs/dbraw/zinc/10/99/38/177109938.db2.gz GRFAXEKMRZPBKF-LBPRGKRZSA-N 2 1 246.329 2.120 10 30 BEEEMP C[C@@H]1CC[C@]2(CCC[N@@H+]2CCCCC#N)C[NH2+]1 ZINC000757126915 582501225 /nfs/dbraw/zinc/50/12/25/582501225.db2.gz HRAXKEMVDBLFJM-ZIAGYGMSSA-N 2 1 235.375 2.287 10 30 BEEEMP C[C@@H]1CC[C@]2(CCC[N@H+]2CCCCC#N)C[NH2+]1 ZINC000757126915 582501228 /nfs/dbraw/zinc/50/12/28/582501228.db2.gz HRAXKEMVDBLFJM-ZIAGYGMSSA-N 2 1 235.375 2.287 10 30 BEEEMP C[C@@H]1CCC[N@@H+](Cc2cc(C#CC[NH3+])cs2)C1 ZINC000043688800 582806028 /nfs/dbraw/zinc/80/60/28/582806028.db2.gz ZEBHXEOMBVEEOZ-GFCCVEGCSA-N 2 1 248.395 2.290 10 30 BEEEMP C=CC[N@@H+](Cc1ccc2c(c1)C[NH2+]CC2)C1CC1 ZINC000211966035 343017113 /nfs/dbraw/zinc/01/71/13/343017113.db2.gz NRLRNHAOSSEPMV-UHFFFAOYSA-N 2 1 242.366 2.483 10 30 BEEEMP N/C(CCC[N@H+]1CC[C@H](c2ccccc2)C1)=N\O ZINC000050599432 181182635 /nfs/dbraw/zinc/18/26/35/181182635.db2.gz YTWOAAAJSRWRJV-ZDUSSCGKSA-N 2 1 247.342 2.003 10 30 BEEEMP CCC[N@@H+](CC)Cc1ccc(C#CC[NH3+])cc1F ZINC000049608869 169129128 /nfs/dbraw/zinc/12/91/28/169129128.db2.gz WOYDJHMVIFLXPD-UHFFFAOYSA-N 2 1 248.345 2.368 10 30 BEEEMP CC(C)[C@@H](C)[N@@H+](C)Cc1ccc(C#CC[NH3+])cc1 ZINC000049609225 167369657 /nfs/dbraw/zinc/36/96/57/167369657.db2.gz VROODFHNOJGFNR-CQSZACIVSA-N 2 1 244.382 2.473 10 30 BEEEMP C=CC[C@]1([NH3+])CC[N@H+](Cc2ccccc2)C1 ZINC000307143502 411206703 /nfs/dbraw/zinc/20/67/03/411206703.db2.gz FLQKNSUTDXSRBK-AWEZNQCLSA-N 2 1 216.328 2.166 10 30 BEEEMP C=CC[C@]1([NH3+])CC[N@@H+](Cc2ccccc2)C1 ZINC000307143502 411206706 /nfs/dbraw/zinc/20/67/06/411206706.db2.gz FLQKNSUTDXSRBK-AWEZNQCLSA-N 2 1 216.328 2.166 10 30 BEEEMP CCN[C@@](C)(C#N)CCCn1c[nH+]c(C)c1C ZINC000051928060 170155485 /nfs/dbraw/zinc/15/54/85/170155485.db2.gz NKNPFIBFXPFKBS-CYBMUJFWSA-N 2 1 234.347 2.172 10 30 BEEEMP CC[C@H](C)C[N@@H+](C)Cc1ccc(C#CC[NH3+])cc1 ZINC000049609018 171273582 /nfs/dbraw/zinc/27/35/82/171273582.db2.gz UHDKVVBTZMKXKJ-AWEZNQCLSA-N 2 1 244.382 2.475 10 30 BEEEMP C[C@@H]1CCCC[N@H+]1Cc1cccc(C#CC[NH3+])c1 ZINC000049608401 176073763 /nfs/dbraw/zinc/07/37/63/176073763.db2.gz FMNBZINZQHJAHF-CQSZACIVSA-N 2 1 242.366 2.371 10 30 BEEEMP C[C@H]1C[C@@H]1C[N@@H+](C)Cc1cc(C#CC[NH3+])cs1 ZINC000104413738 177342734 /nfs/dbraw/zinc/34/27/34/177342734.db2.gz NZXVYENCKBYCDC-WCQYABFASA-N 2 1 248.395 2.146 10 30 BEEEMP C[C@H]1CC[C@]2(CCC[N@@H+]2CCCCC#N)C[NH2+]1 ZINC000757126914 582501421 /nfs/dbraw/zinc/50/14/21/582501421.db2.gz HRAXKEMVDBLFJM-UONOGXRCSA-N 2 1 235.375 2.287 10 30 BEEEMP C[C@H]1CC[C@]2(CCC[N@H+]2CCCCC#N)C[NH2+]1 ZINC000757126914 582501422 /nfs/dbraw/zinc/50/14/22/582501422.db2.gz HRAXKEMVDBLFJM-UONOGXRCSA-N 2 1 235.375 2.287 10 30 BEEEMP C=C[C@H](C)[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000252947995 534669476 /nfs/dbraw/zinc/66/94/76/534669476.db2.gz NLGJRFCPOZLSBH-TVYUQYBPSA-N 2 1 202.301 2.295 10 30 BEEEMP CC[C@@H]1CC[C@H](C)[N@@H+](CCC[NH2+]CCS)C1 ZINC000584601683 358258629 /nfs/dbraw/zinc/25/86/29/358258629.db2.gz LXXDNDZSXPDAAV-QWHCGFSZSA-N 2 1 244.448 2.406 10 30 BEEEMP C/N=C1\CC[N@H+]2CCc3ccccc3[C@H]2C1 ZINC000584605274 358264569 /nfs/dbraw/zinc/26/45/69/358264569.db2.gz ICTYEVZKPMCCKA-FQZGENGWSA-N 2 1 214.312 2.450 10 30 BEEEMP C/[NH+]=C1\CCN2CCc3ccccc3[C@H]2C1 ZINC000584605274 358264573 /nfs/dbraw/zinc/26/45/73/358264573.db2.gz ICTYEVZKPMCCKA-FQZGENGWSA-N 2 1 214.312 2.450 10 30 BEEEMP CCCN[C@H](C#N)CCn1cc[nH+]c1C(C)C ZINC000062439815 169283907 /nfs/dbraw/zinc/28/39/07/169283907.db2.gz NNIDMYVIFZCCMV-LBPRGKRZSA-N 2 1 234.347 2.288 10 30 BEEEMP CC1(C)C[N@H+](Cc2ccc(C#N)cc2)CC[C@@H]1[NH3+] ZINC000261553750 135192674 /nfs/dbraw/zinc/19/26/74/135192674.db2.gz ANPHQLGEXANYAT-AWEZNQCLSA-N 2 1 243.354 2.117 10 30 BEEEMP CC1(C)C[N@@H+](Cc2ccc(C#N)cc2)CC[C@@H]1[NH3+] ZINC000261553750 135192675 /nfs/dbraw/zinc/19/26/75/135192675.db2.gz ANPHQLGEXANYAT-AWEZNQCLSA-N 2 1 243.354 2.117 10 30 BEEEMP C=CC[NH+](CC=C)Cc1cc(C[NH2+]C)oc1C ZINC000052376711 166334277 /nfs/dbraw/zinc/33/42/77/166334277.db2.gz CPDTXAXRYOQJND-UHFFFAOYSA-N 2 1 234.343 2.481 10 30 BEEEMP C=CC[NH2+]C1[C@@H]2CCC[C@H]1C[N@@H+](C(C)C)C2 ZINC000040768938 166396823 /nfs/dbraw/zinc/39/68/23/166396823.db2.gz ZTCYBUMCPSXTKC-PBWFPOADSA-N 2 1 222.376 2.271 10 30 BEEEMP C=CC[NH2+]C1[C@@H]2CCC[C@H]1C[N@H+](C(C)C)C2 ZINC000040768938 166396827 /nfs/dbraw/zinc/39/68/27/166396827.db2.gz ZTCYBUMCPSXTKC-PBWFPOADSA-N 2 1 222.376 2.271 10 30 BEEEMP C=CCC[C@H]([NH3+])C[NH2+]Cc1ccccc1 ZINC000307028908 351430809 /nfs/dbraw/zinc/43/08/09/351430809.db2.gz LSXNMGGVHMOCNH-ZDUSSCGKSA-N 2 1 204.317 2.070 10 30 BEEEMP C[C@@H]1C[C@@H]([NH+](C)CCCCC#N)CC[N@@H+]1C ZINC000123447105 134243639 /nfs/dbraw/zinc/24/36/39/134243639.db2.gz HEGUIZKTVNMQTJ-OLZOCXBDSA-N 2 1 223.364 2.095 10 30 BEEEMP C[C@@H]1C[C@@H]([NH+](C)CCCCC#N)CC[N@H+]1C ZINC000123447105 134243640 /nfs/dbraw/zinc/24/36/40/134243640.db2.gz HEGUIZKTVNMQTJ-OLZOCXBDSA-N 2 1 223.364 2.095 10 30 BEEEMP C[C@@H]1C[C@@H]([N@H+](C)CCCCC#N)CC[NH+]1C ZINC000123447105 134243641 /nfs/dbraw/zinc/24/36/41/134243641.db2.gz HEGUIZKTVNMQTJ-OLZOCXBDSA-N 2 1 223.364 2.095 10 30 BEEEMP C[C@@H]1C[C@@H]([N@@H+](C)CCCCC#N)CC[NH+]1C ZINC000123447105 134243642 /nfs/dbraw/zinc/24/36/42/134243642.db2.gz HEGUIZKTVNMQTJ-OLZOCXBDSA-N 2 1 223.364 2.095 10 30 BEEEMP C=CC[NH+](CC=C)Cc1cc(C[NH2+]C)c(C)o1 ZINC000052376443 166335905 /nfs/dbraw/zinc/33/59/05/166335905.db2.gz QYXARHSZWCKFQZ-UHFFFAOYSA-N 2 1 234.343 2.481 10 30 BEEEMP CC(C)[NH2+]C[C@H]1CCC[N@@H+](CCCCC#N)C1 ZINC000063138900 167115190 /nfs/dbraw/zinc/11/51/90/167115190.db2.gz DQNCKUJOGOJLGX-CQSZACIVSA-N 2 1 237.391 2.390 10 30 BEEEMP CCN[C@](C)(C#N)CCCn1c[nH+]c(C)c1C ZINC000051928059 170169467 /nfs/dbraw/zinc/16/94/67/170169467.db2.gz NKNPFIBFXPFKBS-ZDUSSCGKSA-N 2 1 234.347 2.172 10 30 BEEEMP C[C@H](c1ccc(C#N)cc1)[NH+]1CCC([NH3+])CC1 ZINC000026513497 177032612 /nfs/dbraw/zinc/03/26/12/177032612.db2.gz XFSIOMNTUYLQMB-LLVKDONJSA-N 2 1 229.327 2.042 10 30 BEEEMP C[C@H]1CCC[N@@H+](Cc2ccc(C#CC[NH3+])cc2)C1 ZINC000049608462 177099338 /nfs/dbraw/zinc/09/93/38/177099338.db2.gz LVMVROOQITVYHN-AWEZNQCLSA-N 2 1 242.366 2.229 10 30 BEEEMP C[C@H]1C[C@H]1C[N@@H+](C)Cc1cc(C#CC[NH3+])cs1 ZINC000104413746 177378934 /nfs/dbraw/zinc/37/89/34/177378934.db2.gz NZXVYENCKBYCDC-AAEUAGOBSA-N 2 1 248.395 2.146 10 30 BEEEMP C[C@@H]1C[NH2+]C[C@]2(CCC[N@H+]2CCCCC#N)C1 ZINC000757132820 582508531 /nfs/dbraw/zinc/50/85/31/582508531.db2.gz RYTNFBMRPPAEDX-KBPBESRZSA-N 2 1 235.375 2.144 10 30 BEEEMP C=CCCC[N@H+](C)CC[C@@H]1CCC[NH+]1C ZINC000120574709 534705976 /nfs/dbraw/zinc/70/59/76/534705976.db2.gz TXTLLDUCYMTRTK-ZDUSSCGKSA-N 2 1 210.365 2.369 10 30 BEEEMP C=CCCC[NH+](C)CC[C@@H]1CCC[N@@H+]1C ZINC000120574709 534705978 /nfs/dbraw/zinc/70/59/78/534705978.db2.gz TXTLLDUCYMTRTK-ZDUSSCGKSA-N 2 1 210.365 2.369 10 30 BEEEMP C=CCCC[NH+](C)CC[C@@H]1CCC[N@H+]1C ZINC000120574709 534705985 /nfs/dbraw/zinc/70/59/85/534705985.db2.gz TXTLLDUCYMTRTK-ZDUSSCGKSA-N 2 1 210.365 2.369 10 30 BEEEMP C[C@H]1[NH2+]CCC[C@@]12CCC[N@H+]2CCCCC#N ZINC000757132996 582508813 /nfs/dbraw/zinc/50/88/13/582508813.db2.gz SIFCUJMVFFMROK-ZIAGYGMSSA-N 2 1 235.375 2.287 10 30 BEEEMP C=CCC[C@H](C)[NH2+][C@@H]1CCc2[nH+]ccn2C1 ZINC000381317611 538998243 /nfs/dbraw/zinc/99/82/43/538998243.db2.gz NPQIBQKRQUCMNW-NWDGAFQWSA-N 2 1 219.332 2.142 10 30 BEEEMP C=CCC[C@@H](C)[NH2+][C@@H]1CCc2[nH+]ccn2C1 ZINC000381317613 538998321 /nfs/dbraw/zinc/99/83/21/538998321.db2.gz NPQIBQKRQUCMNW-VXGBXAGGSA-N 2 1 219.332 2.142 10 30 BEEEMP C=C(Cl)C[N@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000178292896 188252878 /nfs/dbraw/zinc/25/28/78/188252878.db2.gz NBZTYYPRZVSTFL-LBPRGKRZSA-N 2 1 239.750 2.408 10 30 BEEEMP C=C(Cl)C[N@@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000178292896 188252879 /nfs/dbraw/zinc/25/28/79/188252879.db2.gz NBZTYYPRZVSTFL-LBPRGKRZSA-N 2 1 239.750 2.408 10 30 BEEEMP CC1(C#N)CC[NH+](CCC[NH+]2CCCC2)CC1 ZINC000227352727 535275274 /nfs/dbraw/zinc/27/52/74/535275274.db2.gz MRTFXBLJLXFBGG-UHFFFAOYSA-N 2 1 235.375 2.098 10 30 BEEEMP CCC[N@@H+](CC)Cc1ccccc1C#CC[NH3+] ZINC000049608864 169129843 /nfs/dbraw/zinc/12/98/43/169129843.db2.gz BWXHOGGCGQVNRK-UHFFFAOYSA-N 2 1 230.355 2.229 10 30 BEEEMP CCC[N@@H+](Cc1cccc(C#CC[NH3+])c1)C1CC1 ZINC000049608970 169174623 /nfs/dbraw/zinc/17/46/23/169174623.db2.gz CHVXWCKWVFPOKH-UHFFFAOYSA-N 2 1 242.366 2.371 10 30 BEEEMP C=CC1([N@H+]2C[C@H](C)C[C@H](C)C2)CC[NH2+]CC1 ZINC000536955997 387169583 /nfs/dbraw/zinc/16/95/83/387169583.db2.gz WCCUQNPNJWKUBI-BETUJISGSA-N 2 1 222.376 2.273 10 30 BEEEMP C=C[C@H](C)[NH2+][C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000252947996 135117538 /nfs/dbraw/zinc/11/75/38/135117538.db2.gz NLGJRFCPOZLSBH-XDTLVQLUSA-N 2 1 202.301 2.295 10 30 BEEEMP CC[C@H](C)[N@@H+](C)Cc1cccc(C#CC[NH3+])c1 ZINC000049608838 171308023 /nfs/dbraw/zinc/30/80/23/171308023.db2.gz DTRZOCBCDXRKIA-ZDUSSCGKSA-N 2 1 230.355 2.227 10 30 BEEEMP CC[C@H](C)[N@@H+](C)Cc1ccc(C#CC[NH3+])cc1 ZINC000049608828 171308666 /nfs/dbraw/zinc/30/86/66/171308666.db2.gz UALUOVUZPYSQBN-ZDUSSCGKSA-N 2 1 230.355 2.227 10 30 BEEEMP C[NH2+]C[C@H]1CC[N@H+]([C@@H](C)c2ccc(C#N)cc2)C1 ZINC000071141821 173381626 /nfs/dbraw/zinc/38/16/26/173381626.db2.gz ZZEKBDJRCDVTMK-GXTWGEPZSA-N 2 1 243.354 2.161 10 30 BEEEMP C[C@@H](c1ccc(C#N)cc1)[NH+]1CCC([NH3+])CC1 ZINC000026513499 176012671 /nfs/dbraw/zinc/01/26/71/176012671.db2.gz XFSIOMNTUYLQMB-NSHDSACASA-N 2 1 229.327 2.042 10 30 BEEEMP C[C@@H]1CCCC[N@H+]1Cc1ccc(C#CC[NH3+])cc1 ZINC000049608391 176072780 /nfs/dbraw/zinc/07/27/80/176072780.db2.gz ZMTJLGKVWKNMMQ-CQSZACIVSA-N 2 1 242.366 2.371 10 30 BEEEMP C[C@H]1CCC[N@H+]1Cc1ccc(F)c(C#CC[NH3+])c1 ZINC000049608297 177110224 /nfs/dbraw/zinc/11/02/24/177110224.db2.gz VMXLOPMVASAUFN-LBPRGKRZSA-N 2 1 246.329 2.120 10 30 BEEEMP C[C@H]1C[NH2+]C[C@]2(CCC[N@H+]2CCCCC#N)C1 ZINC000757132826 643258600 /nfs/dbraw/zinc/25/86/00/643258600.db2.gz RYTNFBMRPPAEDX-KGLIPLIRSA-N 2 1 235.375 2.144 10 30 BEEEMP C=CCC[C@@H]([NH3+])C[NH2+]Cc1ccccc1 ZINC000307028907 351430735 /nfs/dbraw/zinc/43/07/35/351430735.db2.gz LSXNMGGVHMOCNH-CYBMUJFWSA-N 2 1 204.317 2.070 10 30 BEEEMP CC(C)[NH2+]C[C@@H]1CCC[N@@H+](CCCCC#N)C1 ZINC000063138898 167112191 /nfs/dbraw/zinc/11/21/91/167112191.db2.gz DQNCKUJOGOJLGX-AWEZNQCLSA-N 2 1 237.391 2.390 10 30 BEEEMP C[C@H]1CCCC[N@H+]1Cc1ccc(C#CC[NH3+])cc1 ZINC000049608392 177077743 /nfs/dbraw/zinc/07/77/43/177077743.db2.gz ZMTJLGKVWKNMMQ-AWEZNQCLSA-N 2 1 242.366 2.371 10 30 BEEEMP C[C@H]1CCC[N@H+]1Cc1ccc(C#CC[NH3+])cc1F ZINC000049608291 177110581 /nfs/dbraw/zinc/11/05/81/177110581.db2.gz JRSSUSIIARQTMM-LBPRGKRZSA-N 2 1 246.329 2.120 10 30 BEEEMP C=CC[N@@H+](Cc1cccc2c1CC[NH2+]C2)C1CC1 ZINC000124010754 491121279 /nfs/dbraw/zinc/12/12/79/491121279.db2.gz KPDFMEUBCXUETI-UHFFFAOYSA-N 2 1 242.366 2.483 10 30 BEEEMP C=C[C@H](C)[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000229323121 534668927 /nfs/dbraw/zinc/66/89/27/534668927.db2.gz NLGJRFCPOZLSBH-ZWKOPEQDSA-N 2 1 202.301 2.295 10 30 BEEEMP C[C@H]1CCCC[N@H+]1Cc1cc(C#CC[NH3+])cs1 ZINC000043688794 582805725 /nfs/dbraw/zinc/80/57/25/582805725.db2.gz RHEZYSPYZWNHIN-LBPRGKRZSA-N 2 1 248.395 2.433 10 30 BEEEMP C=C(C)C[N@H+]1CC[C@H](CNc2ccccn2)C1 ZINC000171645003 188251705 /nfs/dbraw/zinc/25/17/05/188251705.db2.gz HTFZDCVTBXHTRN-CYBMUJFWSA-N 2 1 231.343 2.392 10 30 BEEEMP C=CC[N@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000195516289 387922196 /nfs/dbraw/zinc/92/21/96/387922196.db2.gz GWQANWQYCUULNG-CYBMUJFWSA-N 2 1 231.343 2.310 10 30 BEEEMP C=CC[N@@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000195516289 387922199 /nfs/dbraw/zinc/92/21/99/387922199.db2.gz GWQANWQYCUULNG-CYBMUJFWSA-N 2 1 231.343 2.310 10 30 BEEEMP CC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CCCC[C@@H]2C#N)C1 ZINC000054825475 170016288 /nfs/dbraw/zinc/01/62/88/170016288.db2.gz ZVZNQIAOUNRORI-MGPQQGTHSA-N 2 1 235.375 2.000 10 30 BEEEMP CC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCCC[C@@H]2C#N)C1 ZINC000054825475 170016289 /nfs/dbraw/zinc/01/62/89/170016289.db2.gz ZVZNQIAOUNRORI-MGPQQGTHSA-N 2 1 235.375 2.000 10 30 BEEEMP C[C@@H]1CCC[N@H+]1Cc1ccc(F)c(C#CC[NH3+])c1 ZINC000049608296 176107909 /nfs/dbraw/zinc/10/79/09/176107909.db2.gz VMXLOPMVASAUFN-GFCCVEGCSA-N 2 1 246.329 2.120 10 30 BEEEMP C[C@@H]1CCC[C@H]([N@@H+](C)CCCC/C(N)=N\O)C1 ZINC000049580296 176140705 /nfs/dbraw/zinc/14/07/05/176140705.db2.gz FUHMTBWFMYQPQQ-NEPJUHHUSA-N 2 1 241.379 2.414 10 30 BEEEMP C[C@H]1CCCC[N@H+]1CCC[NH2+]CCCC#N ZINC000020047898 177075109 /nfs/dbraw/zinc/07/51/09/177075109.db2.gz QLGHTGQBGXGNCB-ZDUSSCGKSA-N 2 1 223.364 2.144 10 30 BEEEMP C[C@H]1CC[C@@]2(CCC[N@@H+]2CCCCC#N)C[NH2+]1 ZINC000757126895 582501408 /nfs/dbraw/zinc/50/14/08/582501408.db2.gz HRAXKEMVDBLFJM-KBPBESRZSA-N 2 1 235.375 2.287 10 30 BEEEMP C[C@H]1CC[C@@]2(CCC[N@H+]2CCCCC#N)C[NH2+]1 ZINC000757126895 582501409 /nfs/dbraw/zinc/50/14/09/582501409.db2.gz HRAXKEMVDBLFJM-KBPBESRZSA-N 2 1 235.375 2.287 10 30 BEEEMP C=CCCC[N@H+](C)CC[C@H]1CCC[NH2+]C1 ZINC000220272588 534707884 /nfs/dbraw/zinc/70/78/84/534707884.db2.gz XDHMCJGOVIPUTI-CYBMUJFWSA-N 2 1 210.365 2.274 10 30 BEEEMP CC#CC[N@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000160089380 353252558 /nfs/dbraw/zinc/25/25/58/353252558.db2.gz NJGAOVHHFPLXSC-CQSZACIVSA-N 2 1 243.354 2.147 10 30 BEEEMP C=CC1([N@H+]2CCC[C@H](C)C2)CC[NH2+]CC1 ZINC000536954896 387167688 /nfs/dbraw/zinc/16/76/88/387167688.db2.gz OQWRKVGEVQGJPQ-LBPRGKRZSA-N 2 1 208.349 2.027 10 30 BEEEMP C[N@@H+](Cc1cccc(C#N)c1)[C@@H]1CCC[NH2+]CC1 ZINC000129505908 387773426 /nfs/dbraw/zinc/77/34/26/387773426.db2.gz HCEXFIUWQWHNEC-OAHLLOKOSA-N 2 1 243.354 2.132 10 30 BEEEMP CC[C@H](C)[N@@H+](C)Cc1ccc(F)c(C#CC[NH3+])c1 ZINC000049608842 171308831 /nfs/dbraw/zinc/30/88/31/171308831.db2.gz SPQGCQGQRGNNDW-LBPRGKRZSA-N 2 1 248.345 2.366 10 30 BEEEMP C[C@H]1CCC[N@@H+](Cc2cccc(C#CC[NH3+])c2)C1 ZINC000049608472 177101025 /nfs/dbraw/zinc/10/10/25/177101025.db2.gz KRTLOJLRWCQABC-AWEZNQCLSA-N 2 1 242.366 2.229 10 30 BEEEMP N#CCCCC[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000037917989 188114746 /nfs/dbraw/zinc/11/47/46/188114746.db2.gz GFGRYBTWSITSDQ-KBPBESRZSA-N 2 1 235.375 2.144 10 30 BEEEMP N#Cc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2CC([NH3+])C3)cc1 ZINC000040749316 181107221 /nfs/dbraw/zinc/10/72/21/181107221.db2.gz UOSPWSCPYNDKBB-GOOCMWNKSA-N 2 1 241.338 2.012 10 30 BEEEMP N/C(CCC[N@H+]1CC[C@@H](c2ccccc2)C1)=N\O ZINC000050599430 181182683 /nfs/dbraw/zinc/18/26/83/181182683.db2.gz YTWOAAAJSRWRJV-CYBMUJFWSA-N 2 1 247.342 2.003 10 30 BEEEMP C[C@H]1C[C@H]([N@H+](C)CCCCC#N)CC[NH+]1C ZINC000123446847 134243717 /nfs/dbraw/zinc/24/37/17/134243717.db2.gz HEGUIZKTVNMQTJ-QWHCGFSZSA-N 2 1 223.364 2.095 10 30 BEEEMP C[C@H]1C[C@H]([N@@H+](C)CCCCC#N)CC[NH+]1C ZINC000123446847 134243718 /nfs/dbraw/zinc/24/37/18/134243718.db2.gz HEGUIZKTVNMQTJ-QWHCGFSZSA-N 2 1 223.364 2.095 10 30 BEEEMP CC[C@H]1CC[C@H](C)[N@@H+](CCC[NH2+]CCS)C1 ZINC000584601684 358258886 /nfs/dbraw/zinc/25/88/86/358258886.db2.gz LXXDNDZSXPDAAV-STQMWFEESA-N 2 1 244.448 2.406 10 30 BEEEMP CCC[N@@H+](CC)Cc1cccc(C#CC[NH3+])c1 ZINC000049608870 169129265 /nfs/dbraw/zinc/12/92/65/169129265.db2.gz KRLWRSNKDRKFQX-UHFFFAOYSA-N 2 1 230.355 2.229 10 30 BEEEMP C[C@H]1C[C@H]([NH+](C)CCCCC#N)CC[N@@H+]1C ZINC000123446847 134243715 /nfs/dbraw/zinc/24/37/15/134243715.db2.gz HEGUIZKTVNMQTJ-QWHCGFSZSA-N 2 1 223.364 2.095 10 30 BEEEMP C[C@H]1C[C@H]([NH+](C)CCCCC#N)CC[N@H+]1C ZINC000123446847 134243716 /nfs/dbraw/zinc/24/37/16/134243716.db2.gz HEGUIZKTVNMQTJ-QWHCGFSZSA-N 2 1 223.364 2.095 10 30 BEEEMP C[C@@H]1CCCC[N@H+]1CCC[NH2+]CCCC#N ZINC000020047895 176071956 /nfs/dbraw/zinc/07/19/56/176071956.db2.gz QLGHTGQBGXGNCB-CYBMUJFWSA-N 2 1 223.364 2.144 10 30 BEEEMP C[C@@H]1CCC[N@@H+](Cc2cccc(C#CC[NH3+])c2)C1 ZINC000049608471 176101163 /nfs/dbraw/zinc/10/11/63/176101163.db2.gz KRTLOJLRWCQABC-CQSZACIVSA-N 2 1 242.366 2.229 10 30 BEEEMP C[C@@H]1CCC[N@H+]1Cc1ccc(C#CC[NH3+])cc1F ZINC000049608290 176108867 /nfs/dbraw/zinc/10/88/67/176108867.db2.gz JRSSUSIIARQTMM-GFCCVEGCSA-N 2 1 246.329 2.120 10 30 BEEEMP C[C@H]1CCCC[C@@H]1[N@@H+](C)CCCC/C(N)=N/O ZINC000042607868 177081324 /nfs/dbraw/zinc/08/13/24/177081324.db2.gz ZXZSVHAIGOSCFL-RYUDHWBXSA-N 2 1 241.379 2.414 10 30 BEEEMP C[C@H]1[NH2+]CCC[C@]12CCC[N@H+]2CCCCC#N ZINC000757132992 582508839 /nfs/dbraw/zinc/50/88/39/582508839.db2.gz SIFCUJMVFFMROK-KGLIPLIRSA-N 2 1 235.375 2.287 10 30 BEEEMP C[C@H]1CCC[N@@H+](Cc2cc(C#CC[NH3+])cs2)C1 ZINC000043688801 582806018 /nfs/dbraw/zinc/80/60/18/582806018.db2.gz ZEBHXEOMBVEEOZ-LBPRGKRZSA-N 2 1 248.395 2.290 10 30 BEEEMP C=CCC[C@@H](C)[NH2+][C@H]1CCc2[nH+]ccn2C1 ZINC000381317610 538998024 /nfs/dbraw/zinc/99/80/24/538998024.db2.gz NPQIBQKRQUCMNW-NEPJUHHUSA-N 2 1 219.332 2.142 10 30 BEEEMP C=CCC[C@H](C)[NH2+][C@H]1CCc2[nH+]ccn2C1 ZINC000381317612 538998401 /nfs/dbraw/zinc/99/84/01/538998401.db2.gz NPQIBQKRQUCMNW-RYUDHWBXSA-N 2 1 219.332 2.142 10 30 BEEEMP C=CCN1CC[C@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000195285934 353741790 /nfs/dbraw/zinc/74/17/90/353741790.db2.gz ZKISPQCYCHLJME-OAHLLOKOSA-N 2 1 245.370 2.021 10 30 BEEEMP C=CCN1CC[C@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000195285934 353741793 /nfs/dbraw/zinc/74/17/93/353741793.db2.gz ZKISPQCYCHLJME-OAHLLOKOSA-N 2 1 245.370 2.021 10 30 BEEEMP Cc1cc(NCC[N@H+](C)C(C)C)c(C#N)c(C)n1 ZINC000157428647 384448590 /nfs/dbraw/zinc/44/85/90/384448590.db2.gz JDNWFXWRQCAYNP-UHFFFAOYSA-N 2 1 246.358 2.322 10 30 BEEEMP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H]2CCCC[C@@H]2C#N)C1 ZINC000054825476 170009402 /nfs/dbraw/zinc/00/94/02/170009402.db2.gz ZVZNQIAOUNRORI-BFHYXJOUSA-N 2 1 235.375 2.000 10 30 BEEEMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H]2CCCC[C@@H]2C#N)C1 ZINC000054825476 170009403 /nfs/dbraw/zinc/00/94/03/170009403.db2.gz ZVZNQIAOUNRORI-BFHYXJOUSA-N 2 1 235.375 2.000 10 30 BEEEMP CC[C@H](C)C[N@@H+](C)Cc1cccc(C#CC[NH3+])c1 ZINC000049609028 171274877 /nfs/dbraw/zinc/27/48/77/171274877.db2.gz YHBGCEDAZAGOMT-AWEZNQCLSA-N 2 1 244.382 2.475 10 30 BEEEMP C[C@H]1CCCC[N@H+]1Cc1ccccc1C#CC[NH3+] ZINC000049608390 177077901 /nfs/dbraw/zinc/07/79/01/177077901.db2.gz MLSNIEBVDFFTET-AWEZNQCLSA-N 2 1 242.366 2.371 10 30 BEEEMP C[C@H]1CCC[N@@H+](Cc2ccccc2C#CC[NH3+])C1 ZINC000049608460 177102349 /nfs/dbraw/zinc/10/23/49/177102349.db2.gz PJCRDALHIZDCHG-AWEZNQCLSA-N 2 1 242.366 2.229 10 30 BEEEMP C=CCCC[N@H+](C)CC[C@@H]1CCC[NH2+]C1 ZINC000220272528 534705787 /nfs/dbraw/zinc/70/57/87/534705787.db2.gz XDHMCJGOVIPUTI-ZDUSSCGKSA-N 2 1 210.365 2.274 10 30 BEEEMP C=CC[N@@H+](C)CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000131442099 711775598 /nfs/dbraw/zinc/77/55/98/711775598.db2.gz BYSGPQQRHVPYFC-YHWZYXNKSA-N 2 1 208.349 2.025 10 30 BEEEMP N#Cc1ccc([C@H]2CCC[N@H+](CCN)CC2)cc1 ZINC000616600348 350779459 /nfs/dbraw/zinc/77/94/59/350779459.db2.gz HKMGBONUZCPNKE-AWEZNQCLSA-N 2 1 243.354 2.086 10 30 BEEEMP C=CCN1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000195285924 353741158 /nfs/dbraw/zinc/74/11/58/353741158.db2.gz ZKISPQCYCHLJME-HNNXBMFYSA-N 2 1 245.370 2.021 10 30 BEEEMP C=CCN1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000195285924 353741160 /nfs/dbraw/zinc/74/11/60/353741160.db2.gz ZKISPQCYCHLJME-HNNXBMFYSA-N 2 1 245.370 2.021 10 30 BEEEMP CC[C@H]1CC[C@@H](C)[N@@H+](CCC[NH2+]CCS)C1 ZINC000584601682 358258681 /nfs/dbraw/zinc/25/86/81/358258681.db2.gz LXXDNDZSXPDAAV-OLZOCXBDSA-N 2 1 244.448 2.406 10 30 BEEEMP CC[C@@H]1CC[C@@H](C)[N@@H+](CCC[NH2+]CCS)C1 ZINC000584601681 358258918 /nfs/dbraw/zinc/25/89/18/358258918.db2.gz LXXDNDZSXPDAAV-CHWSQXEVSA-N 2 1 244.448 2.406 10 30 BEEEMP CCC[N@@H+](CC)Cc1ccc(F)c(C#CC[NH3+])c1 ZINC000049608872 169130124 /nfs/dbraw/zinc/13/01/24/169130124.db2.gz IZHGLYYAMGVGGU-UHFFFAOYSA-N 2 1 248.345 2.368 10 30 BEEEMP CCC[N@@H+](Cc1ccccc1C#CC[NH3+])C1CC1 ZINC000049608964 169177742 /nfs/dbraw/zinc/17/77/42/169177742.db2.gz BLCVELGYACGNEA-UHFFFAOYSA-N 2 1 242.366 2.371 10 30 BEEEMP CC#CC[N@H+]1CCC[C@@H](n2cc[nH+]c2CC)C1 ZINC000119286985 385622156 /nfs/dbraw/zinc/62/21/56/385622156.db2.gz KQDWCWNGUMSZOO-CYBMUJFWSA-N 2 1 231.343 2.106 10 30 BEEEMP CC#CC[N@@H+]1CCC[C@@H](n2cc[nH+]c2CC)C1 ZINC000119286985 385622157 /nfs/dbraw/zinc/62/21/57/385622157.db2.gz KQDWCWNGUMSZOO-CYBMUJFWSA-N 2 1 231.343 2.106 10 30 BEEEMP C=CC[NH+](CC=C)C[C@H](C[NH3+])c1ccccc1 ZINC000061613560 166335171 /nfs/dbraw/zinc/33/51/71/166335171.db2.gz XUGHTBROYVUZMO-HNNXBMFYSA-N 2 1 230.355 2.403 10 30 BEEEMP CC[C@H](C)C[N@@H+](C)Cc1ccccc1C#CC[NH3+] ZINC000049609016 171275026 /nfs/dbraw/zinc/27/50/26/171275026.db2.gz ORDFXWSBXQOKKH-AWEZNQCLSA-N 2 1 244.382 2.475 10 30 BEEEMP CC[C@H](C)[N@@H+](C)Cc1ccc(C#CC[NH3+])cc1F ZINC000049608836 171307372 /nfs/dbraw/zinc/30/73/72/171307372.db2.gz GIBDGUVFCDTTQJ-LBPRGKRZSA-N 2 1 248.345 2.366 10 30 BEEEMP C[C@@H]1CCC[N@@H+](Cc2ccc(C#CC[NH3+])cc2)C1 ZINC000049608461 176100363 /nfs/dbraw/zinc/10/03/63/176100363.db2.gz LVMVROOQITVYHN-CQSZACIVSA-N 2 1 242.366 2.229 10 30 BEEEMP C[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1C#CC[NH3+] ZINC000049608294 176108768 /nfs/dbraw/zinc/10/87/68/176108768.db2.gz GRFAXEKMRZPBKF-GFCCVEGCSA-N 2 1 246.329 2.120 10 30 BEEEMP CCC[N@@H+](CC)Cc1cc(C#CC[NH3+])cs1 ZINC000043688882 582806295 /nfs/dbraw/zinc/80/62/95/582806295.db2.gz ALFSUDXVCSWZLL-UHFFFAOYSA-N 2 1 236.384 2.290 10 30 BEEEMP C[C@@H]1C[NH2+]C[C@@]2(CCC[N@H+]2CCCCC#N)C1 ZINC000757132839 643257434 /nfs/dbraw/zinc/25/74/34/643257434.db2.gz RYTNFBMRPPAEDX-UONOGXRCSA-N 2 1 235.375 2.144 10 30 BEEEMP CCCCCCC[N@H+]1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000708830808 712199974 /nfs/dbraw/zinc/19/99/74/712199974.db2.gz PTURPYSIXRWEJD-STQMWFEESA-N 2 1 212.381 2.483 10 30 BEEEMP Cc1nccn1C[C@H]1CCC[N@H+]1CCCCC#N ZINC000178316914 346952387 /nfs/dbraw/zinc/95/23/87/346952387.db2.gz BNZOPYJIZSXFGB-CQSZACIVSA-N 2 1 246.358 2.350 10 30 BEEEMP CCC[N@@H+](CC)Cc1ccc(C#CC[NH3+])cc1 ZINC000049608865 169129306 /nfs/dbraw/zinc/12/93/06/169129306.db2.gz ULKKMWCBPWFAEM-UHFFFAOYSA-N 2 1 230.355 2.229 10 30 BEEEMP CC#CC[N@H+]1CCC[C@H](n2cc[nH+]c2CC)C1 ZINC000119287093 385622435 /nfs/dbraw/zinc/62/24/35/385622435.db2.gz KQDWCWNGUMSZOO-ZDUSSCGKSA-N 2 1 231.343 2.106 10 30 BEEEMP CC#CC[N@@H+]1CCC[C@H](n2cc[nH+]c2CC)C1 ZINC000119287093 385622439 /nfs/dbraw/zinc/62/24/39/385622439.db2.gz KQDWCWNGUMSZOO-ZDUSSCGKSA-N 2 1 231.343 2.106 10 30 BEEEMP C=CC1([N@H+]2CCC[C@@H](C)C2)CC[NH2+]CC1 ZINC000536954894 387167262 /nfs/dbraw/zinc/16/72/62/387167262.db2.gz OQWRKVGEVQGJPQ-GFCCVEGCSA-N 2 1 208.349 2.027 10 30 BEEEMP CC1(C)C[N@H+](Cc2ccc(C#N)cc2)CC[C@H]1[NH3+] ZINC000261553752 135193172 /nfs/dbraw/zinc/19/31/72/135193172.db2.gz ANPHQLGEXANYAT-CQSZACIVSA-N 2 1 243.354 2.117 10 30 BEEEMP CC1(C)C[N@@H+](Cc2ccc(C#N)cc2)CC[C@H]1[NH3+] ZINC000261553752 135193174 /nfs/dbraw/zinc/19/31/74/135193174.db2.gz ANPHQLGEXANYAT-CQSZACIVSA-N 2 1 243.354 2.117 10 30 BEEEMP CC(C)[C@@H](C)[N@@H+](C)Cc1cccc(C#CC[NH3+])c1 ZINC000049609235 167368797 /nfs/dbraw/zinc/36/87/97/167368797.db2.gz BEFKFJDIXNGDTO-CQSZACIVSA-N 2 1 244.382 2.473 10 30 BEEEMP C[NH2+]C[C@H]1CC[N@H+]([C@H](C)c2ccc(C#N)cc2)C1 ZINC000071141822 173381740 /nfs/dbraw/zinc/38/17/40/173381740.db2.gz ZZEKBDJRCDVTMK-TZMCWYRMSA-N 2 1 243.354 2.161 10 30 BEEEMP C[C@H]1CCCC[N@H+]1Cc1cccc(C#CC[NH3+])c1 ZINC000049608402 177077703 /nfs/dbraw/zinc/07/77/03/177077703.db2.gz FMNBZINZQHJAHF-AWEZNQCLSA-N 2 1 242.366 2.371 10 30 BEEEMP Cc1nccn1C[C@@H]1CCC[N@H+]1CCCCC#N ZINC000178316895 346952046 /nfs/dbraw/zinc/95/20/46/346952046.db2.gz BNZOPYJIZSXFGB-AWEZNQCLSA-N 2 1 246.358 2.350 10 30 BEEEMP CC#CC[N@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000160089511 353252423 /nfs/dbraw/zinc/25/24/23/353252423.db2.gz NJGAOVHHFPLXSC-AWEZNQCLSA-N 2 1 243.354 2.147 10 30 BEEEMP CCC[N@@H+](CC)Cc1ccc(F)cc1C#CC[NH3+] ZINC000049608871 169129689 /nfs/dbraw/zinc/12/96/89/169129689.db2.gz GRBZVZNLJIYLTI-UHFFFAOYSA-N 2 1 248.345 2.368 10 30 BEEEMP C[C@@H]1C[C@H]([NH+](C)CCCCC#N)CC[N@@H+]1C ZINC000123446610 134243745 /nfs/dbraw/zinc/24/37/45/134243745.db2.gz HEGUIZKTVNMQTJ-CHWSQXEVSA-N 2 1 223.364 2.095 10 30 BEEEMP C[C@@H]1C[C@H]([NH+](C)CCCCC#N)CC[N@H+]1C ZINC000123446610 134243746 /nfs/dbraw/zinc/24/37/46/134243746.db2.gz HEGUIZKTVNMQTJ-CHWSQXEVSA-N 2 1 223.364 2.095 10 30 BEEEMP C[C@@H]1C[C@H]([N@H+](C)CCCCC#N)CC[NH+]1C ZINC000123446610 134243747 /nfs/dbraw/zinc/24/37/47/134243747.db2.gz HEGUIZKTVNMQTJ-CHWSQXEVSA-N 2 1 223.364 2.095 10 30 BEEEMP C[C@@H]1C[C@H]([N@@H+](C)CCCCC#N)CC[NH+]1C ZINC000123446610 134243748 /nfs/dbraw/zinc/24/37/48/134243748.db2.gz HEGUIZKTVNMQTJ-CHWSQXEVSA-N 2 1 223.364 2.095 10 30 BEEEMP C=CC[C@@]1([NH3+])CC[N@H+](Cc2ccccc2)C1 ZINC000307143503 411206397 /nfs/dbraw/zinc/20/63/97/411206397.db2.gz FLQKNSUTDXSRBK-CQSZACIVSA-N 2 1 216.328 2.166 10 30 BEEEMP C=CC[C@@]1([NH3+])CC[N@@H+](Cc2ccccc2)C1 ZINC000307143503 411206399 /nfs/dbraw/zinc/20/63/99/411206399.db2.gz FLQKNSUTDXSRBK-CQSZACIVSA-N 2 1 216.328 2.166 10 30 BEEEMP CC[C@H](C)[N@@H+](C)Cc1ccc(F)cc1C#CC[NH3+] ZINC000049608840 171308014 /nfs/dbraw/zinc/30/80/14/171308014.db2.gz BMMVCENHVJBCQG-LBPRGKRZSA-N 2 1 248.345 2.366 10 30 BEEEMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1C#CC[NH3+] ZINC000049608389 176073601 /nfs/dbraw/zinc/07/36/01/176073601.db2.gz MLSNIEBVDFFTET-CQSZACIVSA-N 2 1 242.366 2.371 10 30 BEEEMP C[C@@H]1C[C@@H]1C[N@@H+](C)Cc1cc(C#CC[NH3+])cs1 ZINC000104413733 176392426 /nfs/dbraw/zinc/39/24/26/176392426.db2.gz NZXVYENCKBYCDC-DGCLKSJQSA-N 2 1 248.395 2.146 10 30 BEEEMP C[C@H]1CCC[C@H]([N@@H+](C)CCCC/C(N)=N\O)C1 ZINC000049580297 177134262 /nfs/dbraw/zinc/13/42/62/177134262.db2.gz FUHMTBWFMYQPQQ-RYUDHWBXSA-N 2 1 241.379 2.414 10 30 BEEEMP C[C@H]1C[C@H]1C[N@@H+](C)Cc1ccc(C#CC[NH3+])s1 ZINC000104412193 177379141 /nfs/dbraw/zinc/37/91/41/177379141.db2.gz MCVQSDUIZHNGFE-RYUDHWBXSA-N 2 1 248.395 2.146 10 30 BEEEMP C[C@@H]1CC[C@@]2(CCC[N@@H+]2CCCCC#N)C[NH2+]1 ZINC000757126911 582501438 /nfs/dbraw/zinc/50/14/38/582501438.db2.gz HRAXKEMVDBLFJM-KGLIPLIRSA-N 2 1 235.375 2.287 10 30 BEEEMP C[C@@H]1CC[C@@]2(CCC[N@H+]2CCCCC#N)C[NH2+]1 ZINC000757126911 582501441 /nfs/dbraw/zinc/50/14/41/582501441.db2.gz HRAXKEMVDBLFJM-KGLIPLIRSA-N 2 1 235.375 2.287 10 30 BEEEMP C[C@@H]1[NH2+]CCC[C@]12CCC[N@H+]2CCCCC#N ZINC000757132982 582509360 /nfs/dbraw/zinc/50/93/60/582509360.db2.gz SIFCUJMVFFMROK-KBPBESRZSA-N 2 1 235.375 2.287 10 30 BEEEMP CCCCCCC[N@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000708830806 712199970 /nfs/dbraw/zinc/19/99/70/712199970.db2.gz PTURPYSIXRWEJD-OLZOCXBDSA-N 2 1 212.381 2.483 10 30 BEEEMP N#CCCCC[NH+]1CCC([NH+]2CCCC2)CC1 ZINC000309983435 347211315 /nfs/dbraw/zinc/21/13/15/347211315.db2.gz YIQLVPDLCWSKEN-UHFFFAOYSA-N 2 1 235.375 2.240 10 30 BEEEMP C=C(C[NH3+])C[N@@H+](Cc1ccccc1)C(C)C ZINC000231592923 350875563 /nfs/dbraw/zinc/87/55/63/350875563.db2.gz DBABWMBPAVAYBA-UHFFFAOYSA-N 2 1 218.344 2.412 10 30 BEEEMP C=CC[N@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000195516288 387922900 /nfs/dbraw/zinc/92/29/00/387922900.db2.gz GWQANWQYCUULNG-ZDUSSCGKSA-N 2 1 231.343 2.310 10 30 BEEEMP C=CC[N@@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000195516288 387922904 /nfs/dbraw/zinc/92/29/04/387922904.db2.gz GWQANWQYCUULNG-ZDUSSCGKSA-N 2 1 231.343 2.310 10 30 BEEEMP C[C@@H]1CCCC[N@H+]1Cc1cc(C#CC[NH3+])cs1 ZINC000043688793 582805773 /nfs/dbraw/zinc/80/57/73/582805773.db2.gz RHEZYSPYZWNHIN-GFCCVEGCSA-N 2 1 248.395 2.433 10 30 BEEEMP C=C(C[NH2+]C)C[N@@H+](CC)Cc1ccccc1 ZINC000231595083 350875433 /nfs/dbraw/zinc/87/54/33/350875433.db2.gz XRUSGHBOFLHAND-UHFFFAOYSA-N 2 1 218.344 2.284 10 30 BEEEMP C=C(C[NH2+]C)C[N@H+](CC)Cc1ccccc1 ZINC000231595083 350875438 /nfs/dbraw/zinc/87/54/38/350875438.db2.gz XRUSGHBOFLHAND-UHFFFAOYSA-N 2 1 218.344 2.284 10 30 BEEEMP C/N=C1\CC[N@H+]2CCc3ccccc3[C@@H]2C1 ZINC000584605276 358264463 /nfs/dbraw/zinc/26/44/63/358264463.db2.gz ICTYEVZKPMCCKA-YEQVNJDRSA-N 2 1 214.312 2.450 10 30 BEEEMP C/[NH+]=C1\CCN2CCc3ccccc3[C@@H]2C1 ZINC000584605276 358264466 /nfs/dbraw/zinc/26/44/66/358264466.db2.gz ICTYEVZKPMCCKA-YEQVNJDRSA-N 2 1 214.312 2.450 10 30 BEEEMP C=C(Cl)C[N@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000178292908 387921916 /nfs/dbraw/zinc/92/19/16/387921916.db2.gz NBZTYYPRZVSTFL-GFCCVEGCSA-N 2 1 239.750 2.408 10 30 BEEEMP C=C(Cl)C[N@@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000178292908 387921923 /nfs/dbraw/zinc/92/19/23/387921923.db2.gz NBZTYYPRZVSTFL-GFCCVEGCSA-N 2 1 239.750 2.408 10 30 BEEEMP C=CC[NH+](CC=C)C[C@@H](C[NH3+])c1ccccc1 ZINC000061613559 166335065 /nfs/dbraw/zinc/33/50/65/166335065.db2.gz XUGHTBROYVUZMO-OAHLLOKOSA-N 2 1 230.355 2.403 10 30 BEEEMP C[C@H]1C[C@@H]1C[N@@H+](C)Cc1ccc(C#CC[NH3+])s1 ZINC000104412187 177342445 /nfs/dbraw/zinc/34/24/45/177342445.db2.gz MCVQSDUIZHNGFE-NWDGAFQWSA-N 2 1 248.395 2.146 10 30 BEEEMP C[C@@H]1[NH2+]CCC[C@@]12CCC[N@H+]2CCCCC#N ZINC000757132995 582509374 /nfs/dbraw/zinc/50/93/74/582509374.db2.gz SIFCUJMVFFMROK-UONOGXRCSA-N 2 1 235.375 2.287 10 30 BEEEMP