smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name NCC#Cc1cccc(C[NH+]2CCCCCC2)c1 ZINC000049608484 181346134 /nfs/dbraw/zinc/34/61/34/181346134.db2.gz NLOXDQMVIQONPY-UHFFFAOYSA-N 1 3 242.366 2.373 10 30 BEEEHO CCC[NH+]1CCC([C@@H](C)NC[C@@H](C)C#N)CC1 ZINC000054180621 169190736 /nfs/dbraw/zinc/19/07/36/169190736.db2.gz REQXGUDZHCZMEW-QWHCGFSZSA-N 1 3 237.391 2.246 10 30 BEEEHO CC(C)[C@@H](C)[N@H+](C)Cc1ccccc1C#CCN ZINC000049609223 167369019 /nfs/dbraw/zinc/36/90/19/167369019.db2.gz IUHJZFXNSPGRQO-CQSZACIVSA-N 1 3 244.382 2.473 10 30 BEEEHO CC(C)[C@@H](C)[N@@H+](C)Cc1ccccc1C#CCN ZINC000049609223 167369021 /nfs/dbraw/zinc/36/90/21/167369021.db2.gz IUHJZFXNSPGRQO-CQSZACIVSA-N 1 3 244.382 2.473 10 30 BEEEHO CC[C@H](C)[N@H+](C)Cc1ccccc1C#CCN ZINC000049608826 171307988 /nfs/dbraw/zinc/30/79/88/171307988.db2.gz APKWOTURJUDWME-ZDUSSCGKSA-N 1 3 230.355 2.227 10 30 BEEEHO CC[C@H](C)[N@@H+](C)Cc1ccccc1C#CCN ZINC000049608826 171307990 /nfs/dbraw/zinc/30/79/90/171307990.db2.gz APKWOTURJUDWME-ZDUSSCGKSA-N 1 3 230.355 2.227 10 30 BEEEHO C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCNC1 ZINC000665230832 412168282 /nfs/dbraw/zinc/16/82/82/412168282.db2.gz WPVRSLMGYPPBIL-AGIUHOORSA-N 1 3 208.349 2.073 10 30 BEEEHO C[N@H+](Cc1ccc(C#CCN)cc1)C1CCCC1 ZINC000049608925 172845464 /nfs/dbraw/zinc/84/54/64/172845464.db2.gz ZYGIIFBAMYTJLY-UHFFFAOYSA-N 1 3 242.366 2.371 10 30 BEEEHO C[N@@H+](Cc1ccc(C#CCN)cc1)C1CCCC1 ZINC000049608925 172845466 /nfs/dbraw/zinc/84/54/66/172845466.db2.gz ZYGIIFBAMYTJLY-UHFFFAOYSA-N 1 3 242.366 2.371 10 30 BEEEHO C[C@@H]1CCC[N@H+](Cc2ccccc2C#CCN)C1 ZINC000049608459 176101267 /nfs/dbraw/zinc/10/12/67/176101267.db2.gz PJCRDALHIZDCHG-CQSZACIVSA-N 1 3 242.366 2.229 10 30 BEEEHO C[C@@H]1CCC[N@@H+](Cc2ccccc2C#CCN)C1 ZINC000049608459 176101268 /nfs/dbraw/zinc/10/12/68/176101268.db2.gz PJCRDALHIZDCHG-CQSZACIVSA-N 1 3 242.366 2.229 10 30 BEEEHO C=C[C@H](C)N[C@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000229326797 534669328 /nfs/dbraw/zinc/66/93/28/534669328.db2.gz JVCWUWZJEBUSDO-XQQFMLRXSA-N 1 3 210.365 2.461 10 30 BEEEHO C=CCCCN(C)CC[C@H]1CCC[N@@H+]1C ZINC000120574565 534706161 /nfs/dbraw/zinc/70/61/61/534706161.db2.gz TXTLLDUCYMTRTK-CYBMUJFWSA-N 1 3 210.365 2.369 10 30 BEEEHO C=CCCCN(C)CC[C@H]1CCC[N@H+]1C ZINC000120574565 534706163 /nfs/dbraw/zinc/70/61/63/534706163.db2.gz TXTLLDUCYMTRTK-CYBMUJFWSA-N 1 3 210.365 2.369 10 30 BEEEHO C=CCCCCCC[NH2+]C1CCNCC1 ZINC000308777929 631642121 /nfs/dbraw/zinc/64/21/21/631642121.db2.gz BDWLEYKOBFCAMW-UHFFFAOYSA-N 1 3 210.365 2.465 10 30 BEEEHO C=CC[C@H](CC)[NH2+][C@H](C)[C@@H]1CCCNC1 ZINC000580181441 346617014 /nfs/dbraw/zinc/61/70/14/346617014.db2.gz YVMXBTCYEHEULA-UPJWGTAASA-N 1 3 210.365 2.319 10 30 BEEEHO C=CCCSCCN[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000596650191 348605017 /nfs/dbraw/zinc/60/50/17/348605017.db2.gz JDMJCGCSSFYXFV-CHWSQXEVSA-N 1 3 242.432 2.273 10 30 BEEEHO C=CCCSCC[NH2+][C@H](C)[C@@H]1CCCNC1 ZINC000596650191 348605020 /nfs/dbraw/zinc/60/50/20/348605020.db2.gz JDMJCGCSSFYXFV-CHWSQXEVSA-N 1 3 242.432 2.273 10 30 BEEEHO CCC[N@H+](Cc1ccc(C#CCN)cc1)C1CC1 ZINC000049608965 169176228 /nfs/dbraw/zinc/17/62/28/169176228.db2.gz LJNZZZSJIIEAMP-UHFFFAOYSA-N 1 3 242.366 2.371 10 30 BEEEHO CCC[N@@H+](Cc1ccc(C#CCN)cc1)C1CC1 ZINC000049608965 169176230 /nfs/dbraw/zinc/17/62/30/169176230.db2.gz LJNZZZSJIIEAMP-UHFFFAOYSA-N 1 3 242.366 2.371 10 30 BEEEHO C=CCCCC[NH2+][C@@H](C)[C@H]1CCCNC1 ZINC000518360058 384976762 /nfs/dbraw/zinc/97/67/62/384976762.db2.gz GWQSIDUJYDJXOT-STQMWFEESA-N 1 3 210.365 2.320 10 30 BEEEHO CC1CC[NH+](Cc2ccccc2C#CCN)CC1 ZINC000049608354 168184326 /nfs/dbraw/zinc/18/43/26/168184326.db2.gz BYWOWJRFPAFJII-UHFFFAOYSA-N 1 3 242.366 2.229 10 30 BEEEHO C[C@@H]1C[C@@H]1C[N@H+](C)Cc1ccc(C#CCN)s1 ZINC000104412184 176392382 /nfs/dbraw/zinc/39/23/82/176392382.db2.gz MCVQSDUIZHNGFE-VXGBXAGGSA-N 1 3 248.395 2.146 10 30 BEEEHO C[C@@H]1C[C@@H]1C[N@@H+](C)Cc1ccc(C#CCN)s1 ZINC000104412184 176392384 /nfs/dbraw/zinc/39/23/84/176392384.db2.gz MCVQSDUIZHNGFE-VXGBXAGGSA-N 1 3 248.395 2.146 10 30 BEEEHO C=C[C@H](C)N[C@@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000229326786 534667775 /nfs/dbraw/zinc/66/77/75/534667775.db2.gz JVCWUWZJEBUSDO-AVGNSLFASA-N 1 3 210.365 2.461 10 30 BEEEHO C[C@@H]1CCC[N@H+](Cc2cc(C#CCN)cs2)C1 ZINC000043688800 582806029 /nfs/dbraw/zinc/80/60/29/582806029.db2.gz ZEBHXEOMBVEEOZ-GFCCVEGCSA-N 1 3 248.395 2.290 10 30 BEEEHO C[C@@H]1CCC[N@@H+](Cc2cc(C#CCN)cs2)C1 ZINC000043688800 582806031 /nfs/dbraw/zinc/80/60/31/582806031.db2.gz ZEBHXEOMBVEEOZ-GFCCVEGCSA-N 1 3 248.395 2.290 10 30 BEEEHO C=CCN(Cc1ccc2c(c1)C[NH2+]CC2)C1CC1 ZINC000211966035 343017115 /nfs/dbraw/zinc/01/71/15/343017115.db2.gz NRLRNHAOSSEPMV-UHFFFAOYSA-N 1 3 242.366 2.483 10 30 BEEEHO CCC[NH+]1CCC([C@H](C)NC[C@@H](C)C#N)CC1 ZINC000054180624 169190959 /nfs/dbraw/zinc/19/09/59/169190959.db2.gz REQXGUDZHCZMEW-STQMWFEESA-N 1 3 237.391 2.246 10 30 BEEEHO CC(C)[C@@H](C)[N@H+](C)Cc1ccc(C#CCN)cc1 ZINC000049609225 167369660 /nfs/dbraw/zinc/36/96/60/167369660.db2.gz VROODFHNOJGFNR-CQSZACIVSA-N 1 3 244.382 2.473 10 30 BEEEHO CC(C)[C@@H](C)[N@@H+](C)Cc1ccc(C#CCN)cc1 ZINC000049609225 167369663 /nfs/dbraw/zinc/36/96/63/167369663.db2.gz VROODFHNOJGFNR-CQSZACIVSA-N 1 3 244.382 2.473 10 30 BEEEHO CC[C@H](C)C[N@H+](C)Cc1ccc(C#CCN)cc1 ZINC000049609018 171273584 /nfs/dbraw/zinc/27/35/84/171273584.db2.gz UHDKVVBTZMKXKJ-AWEZNQCLSA-N 1 3 244.382 2.475 10 30 BEEEHO CC[C@H](C)C[N@@H+](C)Cc1ccc(C#CCN)cc1 ZINC000049609018 171273586 /nfs/dbraw/zinc/27/35/86/171273586.db2.gz UHDKVVBTZMKXKJ-AWEZNQCLSA-N 1 3 244.382 2.475 10 30 BEEEHO C=CC[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCNC1 ZINC000665230834 412167718 /nfs/dbraw/zinc/16/77/18/412167718.db2.gz WPVRSLMGYPPBIL-JHJVBQTASA-N 1 3 208.349 2.073 10 30 BEEEHO C[C@@H]1CCCC[N@@H+]1Cc1cccc(C#CCN)c1 ZINC000049608401 176073765 /nfs/dbraw/zinc/07/37/65/176073765.db2.gz FMNBZINZQHJAHF-CQSZACIVSA-N 1 3 242.366 2.371 10 30 BEEEHO C[C@@H]1CCCC[N@H+]1Cc1cccc(C#CCN)c1 ZINC000049608401 176073766 /nfs/dbraw/zinc/07/37/66/176073766.db2.gz FMNBZINZQHJAHF-CQSZACIVSA-N 1 3 242.366 2.371 10 30 BEEEHO C[C@H]1C[C@@H]1C[N@H+](C)Cc1cc(C#CCN)cs1 ZINC000104413738 177342735 /nfs/dbraw/zinc/34/27/35/177342735.db2.gz NZXVYENCKBYCDC-WCQYABFASA-N 1 3 248.395 2.146 10 30 BEEEHO C[C@H]1C[C@@H]1C[N@@H+](C)Cc1cc(C#CCN)cs1 ZINC000104413738 177342737 /nfs/dbraw/zinc/34/27/37/177342737.db2.gz NZXVYENCKBYCDC-WCQYABFASA-N 1 3 248.395 2.146 10 30 BEEEHO C=CC[C@H](CC)[NH2+][C@H](C)[C@H]1CCCNC1 ZINC000580181439 346617049 /nfs/dbraw/zinc/61/70/49/346617049.db2.gz YVMXBTCYEHEULA-AGIUHOORSA-N 1 3 210.365 2.319 10 30 BEEEHO C=CCCSCCN[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000596650193 348604960 /nfs/dbraw/zinc/60/49/60/348604960.db2.gz JDMJCGCSSFYXFV-QWHCGFSZSA-N 1 3 242.432 2.273 10 30 BEEEHO C=CCCSCC[NH2+][C@@H](C)[C@@H]1CCCNC1 ZINC000596650193 348604962 /nfs/dbraw/zinc/60/49/62/348604962.db2.gz JDMJCGCSSFYXFV-QWHCGFSZSA-N 1 3 242.432 2.273 10 30 BEEEHO C=CCN(CC=C)Cc1ccccc1C[NH3+] ZINC000052376567 166338241 /nfs/dbraw/zinc/33/82/41/166338241.db2.gz MQYUENOCQAQOTM-UHFFFAOYSA-N 1 3 216.328 2.319 10 30 BEEEHO C=CC[NH2+]Cc1c(C)nc2sc(C)cn21 ZINC000036820434 187586948 /nfs/dbraw/zinc/58/69/48/187586948.db2.gz AKIYKYGBQHAZTC-UHFFFAOYSA-N 1 3 221.329 2.288 10 30 BEEEHO CC[C@@H]1CC[C@H](C)[N@H+](CCCNCCS)C1 ZINC000584601683 358258632 /nfs/dbraw/zinc/25/86/32/358258632.db2.gz LXXDNDZSXPDAAV-QWHCGFSZSA-N 1 3 244.448 2.406 10 30 BEEEHO CC[C@@H]1CC[C@H](C)[N@@H+](CCCNCCS)C1 ZINC000584601683 358258635 /nfs/dbraw/zinc/25/86/35/358258635.db2.gz LXXDNDZSXPDAAV-QWHCGFSZSA-N 1 3 244.448 2.406 10 30 BEEEHO C=CC[C@@H]1CCCC[C@@H]1[NH2+]C1CCNCC1 ZINC000665230783 412167607 /nfs/dbraw/zinc/16/76/07/412167607.db2.gz VWIADPNZYLYNSO-OCCSQVGLSA-N 1 3 222.376 2.463 10 30 BEEEHO C=C[C@H](C)N[C@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000229326817 534669027 /nfs/dbraw/zinc/66/90/27/534669027.db2.gz JVCWUWZJEBUSDO-YNEHKIRRSA-N 1 3 210.365 2.461 10 30 BEEEHO C=CC(C)(C)C[NH2+][C@H](C)[C@H]1CCCNC1 ZINC000580301854 346874626 /nfs/dbraw/zinc/87/46/26/346874626.db2.gz VRKYLGGIFRSHNU-NEPJUHHUSA-N 1 3 210.365 2.176 10 30 BEEEHO C=CC(C)(C)C[NH2+][C@@H](C)[C@H]1CCCNC1 ZINC000580301856 346874891 /nfs/dbraw/zinc/87/48/91/346874891.db2.gz VRKYLGGIFRSHNU-RYUDHWBXSA-N 1 3 210.365 2.176 10 30 BEEEHO C=CCCSCCN[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000596650192 348605506 /nfs/dbraw/zinc/60/55/06/348605506.db2.gz JDMJCGCSSFYXFV-OLZOCXBDSA-N 1 3 242.432 2.273 10 30 BEEEHO C=CCCSCC[NH2+][C@H](C)[C@H]1CCCNC1 ZINC000596650192 348605509 /nfs/dbraw/zinc/60/55/09/348605509.db2.gz JDMJCGCSSFYXFV-OLZOCXBDSA-N 1 3 242.432 2.273 10 30 BEEEHO C=CCC[C@H](N)C[NH2+]Cc1ccccc1 ZINC000307028908 351430811 /nfs/dbraw/zinc/43/08/11/351430811.db2.gz LSXNMGGVHMOCNH-ZDUSSCGKSA-N 1 3 204.317 2.070 10 30 BEEEHO NCC#Cc1ccccc1C[NH+]1CCCCCC1 ZINC000049608478 181346196 /nfs/dbraw/zinc/34/61/96/181346196.db2.gz SHFUCNSKUNHZCW-UHFFFAOYSA-N 1 3 242.366 2.373 10 30 BEEEHO C=CCCC[C@@H](C)[NH2+][C@H]1CCCNCC1 ZINC000398091158 384801156 /nfs/dbraw/zinc/80/11/56/384801156.db2.gz XYNRYQAIQODIPA-OLZOCXBDSA-N 1 3 210.365 2.463 10 30 BEEEHO C[C@H]1CCC[N@H+](Cc2ccc(C#CCN)cc2)C1 ZINC000049608462 177099340 /nfs/dbraw/zinc/09/93/40/177099340.db2.gz LVMVROOQITVYHN-AWEZNQCLSA-N 1 3 242.366 2.229 10 30 BEEEHO C[C@H]1CCC[N@@H+](Cc2ccc(C#CCN)cc2)C1 ZINC000049608462 177099342 /nfs/dbraw/zinc/09/93/42/177099342.db2.gz LVMVROOQITVYHN-AWEZNQCLSA-N 1 3 242.366 2.229 10 30 BEEEHO C[C@H]1C[C@H]1C[N@H+](C)Cc1cc(C#CCN)cs1 ZINC000104413746 177378936 /nfs/dbraw/zinc/37/89/36/177378936.db2.gz NZXVYENCKBYCDC-AAEUAGOBSA-N 1 3 248.395 2.146 10 30 BEEEHO C[C@H]1C[C@H]1C[N@@H+](C)Cc1cc(C#CCN)cs1 ZINC000104413746 177378937 /nfs/dbraw/zinc/37/89/37/177378937.db2.gz NZXVYENCKBYCDC-AAEUAGOBSA-N 1 3 248.395 2.146 10 30 BEEEHO C=CCCCN(C)CC[C@@H]1CCC[N@@H+]1C ZINC000120574709 534705997 /nfs/dbraw/zinc/70/59/97/534705997.db2.gz TXTLLDUCYMTRTK-ZDUSSCGKSA-N 1 3 210.365 2.369 10 30 BEEEHO C=CCCCN(C)CC[C@@H]1CCC[N@H+]1C ZINC000120574709 534705999 /nfs/dbraw/zinc/70/59/99/534705999.db2.gz TXTLLDUCYMTRTK-ZDUSSCGKSA-N 1 3 210.365 2.369 10 30 BEEEHO C[C@H]1NCCC[C@@]12CCC[N@@H+]2CCCCC#N ZINC000757132996 582508818 /nfs/dbraw/zinc/50/88/18/582508818.db2.gz SIFCUJMVFFMROK-ZIAGYGMSSA-N 1 3 235.375 2.287 10 30 BEEEHO C[C@H]1NCCC[C@@]12CCC[N@H+]2CCCCC#N ZINC000757132996 582508821 /nfs/dbraw/zinc/50/88/21/582508821.db2.gz SIFCUJMVFFMROK-ZIAGYGMSSA-N 1 3 235.375 2.287 10 30 BEEEHO C=CCCCC[NH2+][C@@H](C)[C@@H]1CCCNC1 ZINC000518360057 344210833 /nfs/dbraw/zinc/21/08/33/344210833.db2.gz GWQSIDUJYDJXOT-QWHCGFSZSA-N 1 3 210.365 2.320 10 30 BEEEHO C=CCCCC[NH2+][C@H](C)[C@H]1CCCNC1 ZINC000518360056 344210887 /nfs/dbraw/zinc/21/08/87/344210887.db2.gz GWQSIDUJYDJXOT-OLZOCXBDSA-N 1 3 210.365 2.320 10 30 BEEEHO C=CCCC(C)(C)C[NH2+]C1CCNCC1 ZINC000635023795 345224573 /nfs/dbraw/zinc/22/45/73/345224573.db2.gz SKEAVOSGVJUILS-UHFFFAOYSA-N 1 3 210.365 2.320 10 30 BEEEHO CCC[N@H+](CC)Cc1ccccc1C#CCN ZINC000049608864 169129845 /nfs/dbraw/zinc/12/98/45/169129845.db2.gz BWXHOGGCGQVNRK-UHFFFAOYSA-N 1 3 230.355 2.229 10 30 BEEEHO CCC[N@@H+](CC)Cc1ccccc1C#CCN ZINC000049608864 169129848 /nfs/dbraw/zinc/12/98/48/169129848.db2.gz BWXHOGGCGQVNRK-UHFFFAOYSA-N 1 3 230.355 2.229 10 30 BEEEHO CCC[N@H+](Cc1cccc(C#CCN)c1)C1CC1 ZINC000049608970 169174625 /nfs/dbraw/zinc/17/46/25/169174625.db2.gz CHVXWCKWVFPOKH-UHFFFAOYSA-N 1 3 242.366 2.371 10 30 BEEEHO CCC[N@@H+](Cc1cccc(C#CCN)c1)C1CC1 ZINC000049608970 169174628 /nfs/dbraw/zinc/17/46/28/169174628.db2.gz CHVXWCKWVFPOKH-UHFFFAOYSA-N 1 3 242.366 2.371 10 30 BEEEHO C=CCCC(C)(C)[NH2+]C[C@@H]1CCCNC1 ZINC000663507041 411690443 /nfs/dbraw/zinc/69/04/43/411690443.db2.gz JBTZAKIGQHYGIN-GFCCVEGCSA-N 1 3 210.365 2.320 10 30 BEEEHO CC[C@H](C)[N@H+](C)Cc1cccc(C#CCN)c1 ZINC000049608838 171308025 /nfs/dbraw/zinc/30/80/25/171308025.db2.gz DTRZOCBCDXRKIA-ZDUSSCGKSA-N 1 3 230.355 2.227 10 30 BEEEHO CC[C@H](C)[N@@H+](C)Cc1cccc(C#CCN)c1 ZINC000049608838 171308027 /nfs/dbraw/zinc/30/80/27/171308027.db2.gz DTRZOCBCDXRKIA-ZDUSSCGKSA-N 1 3 230.355 2.227 10 30 BEEEHO CC[C@H](C)[N@H+](C)Cc1ccc(C#CCN)cc1 ZINC000049608828 171308668 /nfs/dbraw/zinc/30/86/68/171308668.db2.gz UALUOVUZPYSQBN-ZDUSSCGKSA-N 1 3 230.355 2.227 10 30 BEEEHO CC[C@H](C)[N@@H+](C)Cc1ccc(C#CCN)cc1 ZINC000049608828 171308669 /nfs/dbraw/zinc/30/86/69/171308669.db2.gz UALUOVUZPYSQBN-ZDUSSCGKSA-N 1 3 230.355 2.227 10 30 BEEEHO C[C@@H]1CCCC[N@@H+]1Cc1ccc(C#CCN)cc1 ZINC000049608391 176072783 /nfs/dbraw/zinc/07/27/83/176072783.db2.gz ZMTJLGKVWKNMMQ-CQSZACIVSA-N 1 3 242.366 2.371 10 30 BEEEHO C[C@@H]1CCCC[N@H+]1Cc1ccc(C#CCN)cc1 ZINC000049608391 176072788 /nfs/dbraw/zinc/07/27/88/176072788.db2.gz ZMTJLGKVWKNMMQ-CQSZACIVSA-N 1 3 242.366 2.371 10 30 BEEEHO C=CCC[C@@H](N)C[NH2+]Cc1ccccc1 ZINC000307028907 351430737 /nfs/dbraw/zinc/43/07/37/351430737.db2.gz LSXNMGGVHMOCNH-CYBMUJFWSA-N 1 3 204.317 2.070 10 30 BEEEHO NCC#Cc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000049608479 181346224 /nfs/dbraw/zinc/34/62/24/181346224.db2.gz BYSXIJYJGMGRIB-UHFFFAOYSA-N 1 3 242.366 2.373 10 30 BEEEHO C=CC1([NH+]2CCC(C)CC2)CCNCC1 ZINC000536955406 387167944 /nfs/dbraw/zinc/16/79/44/387167944.db2.gz SMQIBDRAECHBOA-UHFFFAOYSA-N 1 3 208.349 2.027 10 30 BEEEHO C=CC1(N2CCC(C)CC2)CC[NH2+]CC1 ZINC000536955406 387167949 /nfs/dbraw/zinc/16/79/49/387167949.db2.gz SMQIBDRAECHBOA-UHFFFAOYSA-N 1 3 208.349 2.027 10 30 BEEEHO C[C@H]1CCCC[N@@H+]1Cc1ccc(C#CCN)cc1 ZINC000049608392 177077744 /nfs/dbraw/zinc/07/77/44/177077744.db2.gz ZMTJLGKVWKNMMQ-AWEZNQCLSA-N 1 3 242.366 2.371 10 30 BEEEHO C[C@H]1CCCC[N@H+]1Cc1ccc(C#CCN)cc1 ZINC000049608392 177077749 /nfs/dbraw/zinc/07/77/49/177077749.db2.gz ZMTJLGKVWKNMMQ-AWEZNQCLSA-N 1 3 242.366 2.371 10 30 BEEEHO C=CCN(Cc1cccc2c1CC[NH2+]C2)C1CC1 ZINC000124010754 491121280 /nfs/dbraw/zinc/12/12/80/491121280.db2.gz KPDFMEUBCXUETI-UHFFFAOYSA-N 1 3 242.366 2.483 10 30 BEEEHO C[C@H]1CCCC[N@@H+]1Cc1cc(C#CCN)cs1 ZINC000043688794 582805726 /nfs/dbraw/zinc/80/57/26/582805726.db2.gz RHEZYSPYZWNHIN-LBPRGKRZSA-N 1 3 248.395 2.433 10 30 BEEEHO C[C@H]1CCCC[N@H+]1Cc1cc(C#CCN)cs1 ZINC000043688794 582805727 /nfs/dbraw/zinc/80/57/27/582805727.db2.gz RHEZYSPYZWNHIN-LBPRGKRZSA-N 1 3 248.395 2.433 10 30 BEEEHO C=CC(C)(C)C[NH2+][C@@H](C)[C@@H]1CCCNC1 ZINC000580301855 346874524 /nfs/dbraw/zinc/87/45/24/346874524.db2.gz VRKYLGGIFRSHNU-NWDGAFQWSA-N 1 3 210.365 2.176 10 30 BEEEHO CCC[NH+]1CCC([C@@H](C)NC[C@H](C)C#N)CC1 ZINC000054180625 169190812 /nfs/dbraw/zinc/19/08/12/169190812.db2.gz REQXGUDZHCZMEW-CHWSQXEVSA-N 1 3 237.391 2.246 10 30 BEEEHO C=CCN(CC=C)Cc1ccc(C[NH3+])cc1 ZINC000020071231 166334214 /nfs/dbraw/zinc/33/42/14/166334214.db2.gz BXGCHYCKLSKZLY-UHFFFAOYSA-N 1 3 216.328 2.319 10 30 BEEEHO CC[C@H](C)NC1(C#N)CCN(C(C)C)CC1 ZINC000038064289 171339138 /nfs/dbraw/zinc/33/91/38/171339138.db2.gz MMTJAEQTCXLJDG-LBPRGKRZSA-N 1 3 223.364 2.141 10 30 BEEEHO C[C@H]1CCCCN1CCC[NH2+]CCCC#N ZINC000020047898 177075115 /nfs/dbraw/zinc/07/51/15/177075115.db2.gz QLGHTGQBGXGNCB-ZDUSSCGKSA-N 1 3 223.364 2.144 10 30 BEEEHO C=C1CCC(C[NH2+]C2CCNCC2)CC1 ZINC000724490432 711584819 /nfs/dbraw/zinc/58/48/19/711584819.db2.gz ZWFYJPZVAYYYHH-UHFFFAOYSA-N 1 3 208.349 2.074 10 30 BEEEHO C=CC(C)(C)C[NH2+][C@H](C)[C@@H]1CCCNC1 ZINC000580301857 346874823 /nfs/dbraw/zinc/87/48/23/346874823.db2.gz VRKYLGGIFRSHNU-VXGBXAGGSA-N 1 3 210.365 2.176 10 30 BEEEHO C=CC1(N2CCC[C@H](C)C2)CC[NH2+]CC1 ZINC000536954896 387167706 /nfs/dbraw/zinc/16/77/06/387167706.db2.gz OQWRKVGEVQGJPQ-LBPRGKRZSA-N 1 3 208.349 2.027 10 30 BEEEHO CC[C@@H](CC#N)N[C@@H](C)C1CC[NH+](CC)CC1 ZINC000054183397 170811654 /nfs/dbraw/zinc/81/16/54/170811654.db2.gz LJHCROMTLKMDSA-JSGCOSHPSA-N 1 3 237.391 2.389 10 30 BEEEHO CC[C@H](C)[N@H+](C)Cc1ccc(F)c(C#CCN)c1 ZINC000049608842 171308833 /nfs/dbraw/zinc/30/88/33/171308833.db2.gz SPQGCQGQRGNNDW-LBPRGKRZSA-N 1 3 248.345 2.366 10 30 BEEEHO CC[C@H](C)[N@@H+](C)Cc1ccc(F)c(C#CCN)c1 ZINC000049608842 171308835 /nfs/dbraw/zinc/30/88/35/171308835.db2.gz SPQGCQGQRGNNDW-LBPRGKRZSA-N 1 3 248.345 2.366 10 30 BEEEHO C=CC[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCNC1 ZINC000665230833 412168735 /nfs/dbraw/zinc/16/87/35/412168735.db2.gz WPVRSLMGYPPBIL-FRRDWIJNSA-N 1 3 208.349 2.073 10 30 BEEEHO C[C@H]1CCC[N@H+](Cc2cccc(C#CCN)c2)C1 ZINC000049608472 177101027 /nfs/dbraw/zinc/10/10/27/177101027.db2.gz KRTLOJLRWCQABC-AWEZNQCLSA-N 1 3 242.366 2.229 10 30 BEEEHO C[C@H]1CCC[N@@H+](Cc2cccc(C#CCN)c2)C1 ZINC000049608472 177101030 /nfs/dbraw/zinc/10/10/30/177101030.db2.gz KRTLOJLRWCQABC-AWEZNQCLSA-N 1 3 242.366 2.229 10 30 BEEEHO N#CCCCCN1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000037917989 188114748 /nfs/dbraw/zinc/11/47/48/188114748.db2.gz GFGRYBTWSITSDQ-KBPBESRZSA-N 1 3 235.375 2.144 10 30 BEEEHO CC[C@H]1CC[C@H](C)[N@H+](CCCNCCS)C1 ZINC000584601684 358258887 /nfs/dbraw/zinc/25/88/87/358258887.db2.gz LXXDNDZSXPDAAV-STQMWFEESA-N 1 3 244.448 2.406 10 30 BEEEHO CC[C@H]1CC[C@H](C)[N@@H+](CCCNCCS)C1 ZINC000584601684 358258889 /nfs/dbraw/zinc/25/88/89/358258889.db2.gz LXXDNDZSXPDAAV-STQMWFEESA-N 1 3 244.448 2.406 10 30 BEEEHO N#CCCCN1CCC(C[NH+]2CCCC2)CC1 ZINC000051907745 358767324 /nfs/dbraw/zinc/76/73/24/358767324.db2.gz YNUWIHUYZMGPRK-UHFFFAOYSA-N 1 3 235.375 2.098 10 30 BEEEHO [NH3+]CC#Cc1cc(F)ccc1CN1CCCCC1 ZINC000049608674 181346532 /nfs/dbraw/zinc/34/65/32/181346532.db2.gz NHXNEINVLATRSH-UHFFFAOYSA-N 1 3 246.329 2.122 10 30 BEEEHO CCC[N@H+](CC)Cc1cccc(C#CCN)c1 ZINC000049608870 169129267 /nfs/dbraw/zinc/12/92/67/169129267.db2.gz KRLWRSNKDRKFQX-UHFFFAOYSA-N 1 3 230.355 2.229 10 30 BEEEHO CCC[N@@H+](CC)Cc1cccc(C#CCN)c1 ZINC000049608870 169129268 /nfs/dbraw/zinc/12/92/68/169129268.db2.gz KRLWRSNKDRKFQX-UHFFFAOYSA-N 1 3 230.355 2.229 10 30 BEEEHO C=CC[C@@H]1CCCC[C@H]1[NH2+]C1CCNCC1 ZINC000665230784 412167707 /nfs/dbraw/zinc/16/77/07/412167707.db2.gz VWIADPNZYLYNSO-TZMCWYRMSA-N 1 3 222.376 2.463 10 30 BEEEHO C[C@@H]1CCCCN1CCC[NH2+]CCCC#N ZINC000020047895 176071964 /nfs/dbraw/zinc/07/19/64/176071964.db2.gz QLGHTGQBGXGNCB-CYBMUJFWSA-N 1 3 223.364 2.144 10 30 BEEEHO C[C@@H]1CCC[N@H+](Cc2cccc(C#CCN)c2)C1 ZINC000049608471 176101165 /nfs/dbraw/zinc/10/11/65/176101165.db2.gz KRTLOJLRWCQABC-CQSZACIVSA-N 1 3 242.366 2.229 10 30 BEEEHO C[C@@H]1CCC[N@@H+](Cc2cccc(C#CCN)c2)C1 ZINC000049608471 176101168 /nfs/dbraw/zinc/10/11/68/176101168.db2.gz KRTLOJLRWCQABC-CQSZACIVSA-N 1 3 242.366 2.229 10 30 BEEEHO C[C@H]1NCCC[C@]12CCC[N@@H+]2CCCCC#N ZINC000757132992 582508843 /nfs/dbraw/zinc/50/88/43/582508843.db2.gz SIFCUJMVFFMROK-KGLIPLIRSA-N 1 3 235.375 2.287 10 30 BEEEHO C[C@H]1NCCC[C@]12CCC[N@H+]2CCCCC#N ZINC000757132992 582508846 /nfs/dbraw/zinc/50/88/46/582508846.db2.gz SIFCUJMVFFMROK-KGLIPLIRSA-N 1 3 235.375 2.287 10 30 BEEEHO C[C@H]1CCC[N@H+](Cc2cc(C#CCN)cs2)C1 ZINC000043688801 582806020 /nfs/dbraw/zinc/80/60/20/582806020.db2.gz ZEBHXEOMBVEEOZ-LBPRGKRZSA-N 1 3 248.395 2.290 10 30 BEEEHO C[C@H]1CCC[N@@H+](Cc2cc(C#CCN)cs2)C1 ZINC000043688801 582806023 /nfs/dbraw/zinc/80/60/23/582806023.db2.gz ZEBHXEOMBVEEOZ-LBPRGKRZSA-N 1 3 248.395 2.290 10 30 BEEEHO C=CCCCC[NH2+][C@H](C)[C@@H]1CCCNC1 ZINC000518360055 344210775 /nfs/dbraw/zinc/21/07/75/344210775.db2.gz GWQSIDUJYDJXOT-CHWSQXEVSA-N 1 3 210.365 2.320 10 30 BEEEHO C=CCCSCCN[C@H]1CCC[NH2+]CC1 ZINC000596649704 348605008 /nfs/dbraw/zinc/60/50/08/348605008.db2.gz FISDGVCHLLETPS-LBPRGKRZSA-N 1 3 228.405 2.027 10 30 BEEEHO C=CCCC[C@@H](C)[NH2+][C@@H]1CCCNCC1 ZINC000398091157 384799968 /nfs/dbraw/zinc/79/99/68/384799968.db2.gz XYNRYQAIQODIPA-CHWSQXEVSA-N 1 3 210.365 2.463 10 30 BEEEHO CC1CC[NH+](Cc2cccc(C#CCN)c2)CC1 ZINC000049608360 168184322 /nfs/dbraw/zinc/18/43/22/168184322.db2.gz GYTJYCJWLWFGBG-UHFFFAOYSA-N 1 3 242.366 2.229 10 30 BEEEHO CC[C@H](C)C[N@H+](C)Cc1cccc(C#CCN)c1 ZINC000049609028 171274878 /nfs/dbraw/zinc/27/48/78/171274878.db2.gz YHBGCEDAZAGOMT-AWEZNQCLSA-N 1 3 244.382 2.475 10 30 BEEEHO CC[C@H](C)C[N@@H+](C)Cc1cccc(C#CCN)c1 ZINC000049609028 171274879 /nfs/dbraw/zinc/27/48/79/171274879.db2.gz YHBGCEDAZAGOMT-AWEZNQCLSA-N 1 3 244.382 2.475 10 30 BEEEHO C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCNC1 ZINC000665230835 412168598 /nfs/dbraw/zinc/16/85/98/412168598.db2.gz WPVRSLMGYPPBIL-UPJWGTAASA-N 1 3 208.349 2.073 10 30 BEEEHO C[C@H]1CCCC[N@@H+]1Cc1ccccc1C#CCN ZINC000049608390 177077902 /nfs/dbraw/zinc/07/79/02/177077902.db2.gz MLSNIEBVDFFTET-AWEZNQCLSA-N 1 3 242.366 2.371 10 30 BEEEHO C[C@H]1CCCC[N@H+]1Cc1ccccc1C#CCN ZINC000049608390 177077904 /nfs/dbraw/zinc/07/79/04/177077904.db2.gz MLSNIEBVDFFTET-AWEZNQCLSA-N 1 3 242.366 2.371 10 30 BEEEHO C[C@H]1CCC[N@H+](Cc2ccccc2C#CCN)C1 ZINC000049608460 177102350 /nfs/dbraw/zinc/10/23/50/177102350.db2.gz PJCRDALHIZDCHG-AWEZNQCLSA-N 1 3 242.366 2.229 10 30 BEEEHO C[C@H]1CCC[N@@H+](Cc2ccccc2C#CCN)C1 ZINC000049608460 177102351 /nfs/dbraw/zinc/10/23/51/177102351.db2.gz PJCRDALHIZDCHG-AWEZNQCLSA-N 1 3 242.366 2.229 10 30 BEEEHO CC1CC[NH+](Cc2cc(C#CCN)cs2)CC1 ZINC000043692075 582805801 /nfs/dbraw/zinc/80/58/01/582805801.db2.gz XXVHWAXWKOXCKQ-UHFFFAOYSA-N 1 3 248.395 2.290 10 30 BEEEHO C=CCCSCCN[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000596650194 348605463 /nfs/dbraw/zinc/60/54/63/348605463.db2.gz JDMJCGCSSFYXFV-STQMWFEESA-N 1 3 242.432 2.273 10 30 BEEEHO C=CCCSCC[NH2+][C@@H](C)[C@H]1CCCNC1 ZINC000596650194 348605466 /nfs/dbraw/zinc/60/54/66/348605466.db2.gz JDMJCGCSSFYXFV-STQMWFEESA-N 1 3 242.432 2.273 10 30 BEEEHO CC(C)[C@H](C)[N@H+](C)Cc1ccccc1C#CCN ZINC000049609224 188218385 /nfs/dbraw/zinc/21/83/85/188218385.db2.gz IUHJZFXNSPGRQO-AWEZNQCLSA-N 1 3 244.382 2.473 10 30 BEEEHO CC(C)[C@H](C)[N@@H+](C)Cc1ccccc1C#CCN ZINC000049609224 188218387 /nfs/dbraw/zinc/21/83/87/188218387.db2.gz IUHJZFXNSPGRQO-AWEZNQCLSA-N 1 3 244.382 2.473 10 30 BEEEHO CC[C@H]1CC[C@@H](C)[N@H+](CCCNCCS)C1 ZINC000584601682 358258683 /nfs/dbraw/zinc/25/86/83/358258683.db2.gz LXXDNDZSXPDAAV-OLZOCXBDSA-N 1 3 244.448 2.406 10 30 BEEEHO CC[C@H]1CC[C@@H](C)[N@@H+](CCCNCCS)C1 ZINC000584601682 358258688 /nfs/dbraw/zinc/25/86/88/358258688.db2.gz LXXDNDZSXPDAAV-OLZOCXBDSA-N 1 3 244.448 2.406 10 30 BEEEHO CC[C@@H]1CC[C@@H](C)[N@H+](CCCNCCS)C1 ZINC000584601681 358258921 /nfs/dbraw/zinc/25/89/21/358258921.db2.gz LXXDNDZSXPDAAV-CHWSQXEVSA-N 1 3 244.448 2.406 10 30 BEEEHO CC[C@@H]1CC[C@@H](C)[N@@H+](CCCNCCS)C1 ZINC000584601681 358258925 /nfs/dbraw/zinc/25/89/25/358258925.db2.gz LXXDNDZSXPDAAV-CHWSQXEVSA-N 1 3 244.448 2.406 10 30 BEEEHO CCC[N@H+](CC)Cc1ccc(F)c(C#CCN)c1 ZINC000049608872 169130126 /nfs/dbraw/zinc/13/01/26/169130126.db2.gz IZHGLYYAMGVGGU-UHFFFAOYSA-N 1 3 248.345 2.368 10 30 BEEEHO CCC[N@@H+](CC)Cc1ccc(F)c(C#CCN)c1 ZINC000049608872 169130128 /nfs/dbraw/zinc/13/01/28/169130128.db2.gz IZHGLYYAMGVGGU-UHFFFAOYSA-N 1 3 248.345 2.368 10 30 BEEEHO CCC[N@H+](Cc1ccccc1C#CCN)C1CC1 ZINC000049608964 169177745 /nfs/dbraw/zinc/17/77/45/169177745.db2.gz BLCVELGYACGNEA-UHFFFAOYSA-N 1 3 242.366 2.371 10 30 BEEEHO CCC[N@@H+](Cc1ccccc1C#CCN)C1CC1 ZINC000049608964 169177747 /nfs/dbraw/zinc/17/77/47/169177747.db2.gz BLCVELGYACGNEA-UHFFFAOYSA-N 1 3 242.366 2.371 10 30 BEEEHO C=CCCC[C@H](C)[NH2+][C@H]1CCCNCC1 ZINC000398091160 384801283 /nfs/dbraw/zinc/80/12/83/384801283.db2.gz XYNRYQAIQODIPA-STQMWFEESA-N 1 3 210.365 2.463 10 30 BEEEHO C[N@H+]1C[C@H]2CN(CCCCC(C)(C)C#N)C[C@H]2C1 ZINC000365848621 135025559 /nfs/dbraw/zinc/02/55/59/135025559.db2.gz OEPXPXQQQNLCEI-OKILXGFUSA-N 1 3 249.402 2.200 10 30 BEEEHO C[N@@H+]1C[C@H]2CN(CCCCC(C)(C)C#N)C[C@H]2C1 ZINC000365848621 135025560 /nfs/dbraw/zinc/02/55/60/135025560.db2.gz OEPXPXQQQNLCEI-OKILXGFUSA-N 1 3 249.402 2.200 10 30 BEEEHO CC[NH+]1CCC(CN[C@H]2CCCC[C@@H]2C#N)CC1 ZINC000054827673 169951682 /nfs/dbraw/zinc/95/16/82/169951682.db2.gz CNHBYJNXWLKKGN-CABCVRRESA-N 1 3 249.402 2.390 10 30 BEEEHO CC[C@H](C)C[N@H+](C)Cc1ccccc1C#CCN ZINC000049609016 171275028 /nfs/dbraw/zinc/27/50/28/171275028.db2.gz ORDFXWSBXQOKKH-AWEZNQCLSA-N 1 3 244.382 2.475 10 30 BEEEHO CC[C@H](C)C[N@@H+](C)Cc1ccccc1C#CCN ZINC000049609016 171275030 /nfs/dbraw/zinc/27/50/30/171275030.db2.gz ORDFXWSBXQOKKH-AWEZNQCLSA-N 1 3 244.382 2.475 10 30 BEEEHO C[C@@H]1CCC[N@H+](Cc2ccc(C#CCN)cc2)C1 ZINC000049608461 176100364 /nfs/dbraw/zinc/10/03/64/176100364.db2.gz LVMVROOQITVYHN-CQSZACIVSA-N 1 3 242.366 2.229 10 30 BEEEHO C[C@@H]1CCC[N@@H+](Cc2ccc(C#CCN)cc2)C1 ZINC000049608461 176100365 /nfs/dbraw/zinc/10/03/65/176100365.db2.gz LVMVROOQITVYHN-CQSZACIVSA-N 1 3 242.366 2.229 10 30 BEEEHO CCC[N@H+](CC)Cc1cc(C#CCN)cs1 ZINC000043688882 582806297 /nfs/dbraw/zinc/80/62/97/582806297.db2.gz ALFSUDXVCSWZLL-UHFFFAOYSA-N 1 3 236.384 2.290 10 30 BEEEHO CCC[N@@H+](CC)Cc1cc(C#CCN)cs1 ZINC000043688882 582806298 /nfs/dbraw/zinc/80/62/98/582806298.db2.gz ALFSUDXVCSWZLL-UHFFFAOYSA-N 1 3 236.384 2.290 10 30 BEEEHO C=CC[C@H](CC)[NH2+][C@@H](C)[C@H]1CCCNC1 ZINC000580181440 346616892 /nfs/dbraw/zinc/61/68/92/346616892.db2.gz YVMXBTCYEHEULA-AVGNSLFASA-N 1 3 210.365 2.319 10 30 BEEEHO CC(C)=CN1CCN(CC/[NH+]=C/C(C)C)CC1 ZINC000111909734 188099037 /nfs/dbraw/zinc/09/90/37/188099037.db2.gz XRVOMWFWRKPBNF-RVDMUPIBSA-N 1 3 237.391 2.255 10 30 BEEEHO [NH3+]CCCCN=C1CCc2ccccc2N1 ZINC000013678630 181374348 /nfs/dbraw/zinc/37/43/48/181374348.db2.gz WQLBUPYVQHVFMR-UHFFFAOYSA-N 1 3 217.316 2.182 10 30 BEEEHO CCC[N@H+](CC)Cc1ccc(C#CCN)cc1 ZINC000049608865 169129308 /nfs/dbraw/zinc/12/93/08/169129308.db2.gz ULKKMWCBPWFAEM-UHFFFAOYSA-N 1 3 230.355 2.229 10 30 BEEEHO CCC[N@@H+](CC)Cc1ccc(C#CCN)cc1 ZINC000049608865 169129309 /nfs/dbraw/zinc/12/93/09/169129309.db2.gz ULKKMWCBPWFAEM-UHFFFAOYSA-N 1 3 230.355 2.229 10 30 BEEEHO C=CC1(N2CCC[C@@H](C)C2)CC[NH2+]CC1 ZINC000536954894 387167274 /nfs/dbraw/zinc/16/72/74/387167274.db2.gz OQWRKVGEVQGJPQ-GFCCVEGCSA-N 1 3 208.349 2.027 10 30 BEEEHO CC(C)[C@@H](C)[N@H+](C)Cc1cccc(C#CCN)c1 ZINC000049609235 167368800 /nfs/dbraw/zinc/36/88/00/167368800.db2.gz BEFKFJDIXNGDTO-CQSZACIVSA-N 1 3 244.382 2.473 10 30 BEEEHO CC(C)[C@@H](C)[N@@H+](C)Cc1cccc(C#CCN)c1 ZINC000049609235 167368801 /nfs/dbraw/zinc/36/88/01/167368801.db2.gz BEFKFJDIXNGDTO-CQSZACIVSA-N 1 3 244.382 2.473 10 30 BEEEHO CC1CC[NH+](Cc2ccc(C#CCN)cc2)CC1 ZINC000049608355 168184636 /nfs/dbraw/zinc/18/46/36/168184636.db2.gz WERIIYRGIUFQCY-UHFFFAOYSA-N 1 3 242.366 2.229 10 30 BEEEHO C[C@H]1CCCC[N@@H+]1Cc1cccc(C#CCN)c1 ZINC000049608402 177077705 /nfs/dbraw/zinc/07/77/05/177077705.db2.gz FMNBZINZQHJAHF-AWEZNQCLSA-N 1 3 242.366 2.371 10 30 BEEEHO C[C@H]1CCCC[N@H+]1Cc1cccc(C#CCN)c1 ZINC000049608402 177077707 /nfs/dbraw/zinc/07/77/07/177077707.db2.gz FMNBZINZQHJAHF-AWEZNQCLSA-N 1 3 242.366 2.371 10 30 BEEEHO C=CC[C@H](CC)[NH2+][C@@H](C)[C@@H]1CCCNC1 ZINC000580181442 346616963 /nfs/dbraw/zinc/61/69/63/346616963.db2.gz YVMXBTCYEHEULA-XQQFMLRXSA-N 1 3 210.365 2.319 10 30 BEEEHO CCC[N@H+](CC)Cc1ccc(F)cc1C#CCN ZINC000049608871 169129691 /nfs/dbraw/zinc/12/96/91/169129691.db2.gz GRBZVZNLJIYLTI-UHFFFAOYSA-N 1 3 248.345 2.368 10 30 BEEEHO CCC[N@@H+](CC)Cc1ccc(F)cc1C#CCN ZINC000049608871 169129693 /nfs/dbraw/zinc/12/96/93/169129693.db2.gz GRBZVZNLJIYLTI-UHFFFAOYSA-N 1 3 248.345 2.368 10 30 BEEEHO CCC[NH+]1CCC([C@H](C)NC[C@H](C)C#N)CC1 ZINC000054180627 169191608 /nfs/dbraw/zinc/19/16/08/169191608.db2.gz REQXGUDZHCZMEW-OLZOCXBDSA-N 1 3 237.391 2.246 10 30 BEEEHO C=CCCC[C@H](C)[NH2+][C@@H]1CCCNCC1 ZINC000398091159 384800126 /nfs/dbraw/zinc/80/01/26/384800126.db2.gz XYNRYQAIQODIPA-QWHCGFSZSA-N 1 3 210.365 2.463 10 30 BEEEHO C=CCN(CC=C)CCOc1cccc(C[NH3+])c1 ZINC000052376574 166334502 /nfs/dbraw/zinc/33/45/02/166334502.db2.gz ZZEWUEDWLJOBIC-UHFFFAOYSA-N 1 3 246.354 2.198 10 30 BEEEHO C=CCN(CC=C)Cc1cccc(C[NH3+])c1 ZINC000031935003 166338387 /nfs/dbraw/zinc/33/83/87/166338387.db2.gz LWWCMTRFHPFHEG-UHFFFAOYSA-N 1 3 216.328 2.319 10 30 BEEEHO C=CCC1([NH2+]C[C@H]2CCCNC2)CCCC1 ZINC000656791415 411371128 /nfs/dbraw/zinc/37/11/28/411371128.db2.gz FYCIVQDMNJBSRW-ZDUSSCGKSA-N 1 3 222.376 2.465 10 30 BEEEHO C=CCCC(C)(C)[NH2+]C[C@H]1CCCNC1 ZINC000663507042 411690638 /nfs/dbraw/zinc/69/06/38/411690638.db2.gz JBTZAKIGQHYGIN-LBPRGKRZSA-N 1 3 210.365 2.320 10 30 BEEEHO CC[C@H](C)[N@H+](C)Cc1ccc(F)cc1C#CCN ZINC000049608840 171308016 /nfs/dbraw/zinc/30/80/16/171308016.db2.gz BMMVCENHVJBCQG-LBPRGKRZSA-N 1 3 248.345 2.366 10 30 BEEEHO CC[C@H](C)[N@@H+](C)Cc1ccc(F)cc1C#CCN ZINC000049608840 171308018 /nfs/dbraw/zinc/30/80/18/171308018.db2.gz BMMVCENHVJBCQG-LBPRGKRZSA-N 1 3 248.345 2.366 10 30 BEEEHO C=CC[C@H]1CCCC[C@@H]1[NH2+]C1CCNCC1 ZINC000665230782 412167207 /nfs/dbraw/zinc/16/72/07/412167207.db2.gz VWIADPNZYLYNSO-JSGCOSHPSA-N 1 3 222.376 2.463 10 30 BEEEHO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1C#CCN ZINC000049608389 176073602 /nfs/dbraw/zinc/07/36/02/176073602.db2.gz MLSNIEBVDFFTET-CQSZACIVSA-N 1 3 242.366 2.371 10 30 BEEEHO C[C@@H]1CCCC[N@H+]1Cc1ccccc1C#CCN ZINC000049608389 176073604 /nfs/dbraw/zinc/07/36/04/176073604.db2.gz MLSNIEBVDFFTET-CQSZACIVSA-N 1 3 242.366 2.371 10 30 BEEEHO C[C@@H]1C[C@@H]1C[N@H+](C)Cc1cc(C#CCN)cs1 ZINC000104413733 176392427 /nfs/dbraw/zinc/39/24/27/176392427.db2.gz NZXVYENCKBYCDC-DGCLKSJQSA-N 1 3 248.395 2.146 10 30 BEEEHO C[C@@H]1C[C@@H]1C[N@@H+](C)Cc1cc(C#CCN)cs1 ZINC000104413733 176392428 /nfs/dbraw/zinc/39/24/28/176392428.db2.gz NZXVYENCKBYCDC-DGCLKSJQSA-N 1 3 248.395 2.146 10 30 BEEEHO C[C@H]1C[C@H]1C[N@H+](C)Cc1ccc(C#CCN)s1 ZINC000104412193 177379142 /nfs/dbraw/zinc/37/91/42/177379142.db2.gz MCVQSDUIZHNGFE-RYUDHWBXSA-N 1 3 248.395 2.146 10 30 BEEEHO C[C@H]1C[C@H]1C[N@@H+](C)Cc1ccc(C#CCN)s1 ZINC000104412193 177379144 /nfs/dbraw/zinc/37/91/44/177379144.db2.gz MCVQSDUIZHNGFE-RYUDHWBXSA-N 1 3 248.395 2.146 10 30 BEEEHO C=CC(C)(C)CC[NH2+][C@H]1CCCNCC1 ZINC000530212149 324527796 /nfs/dbraw/zinc/52/77/96/324527796.db2.gz OXBRNKDOODWTDQ-LBPRGKRZSA-N 1 3 210.365 2.320 10 30 BEEEHO C[C@@H]1NCCC[C@]12CCC[N@@H+]2CCCCC#N ZINC000757132982 582509366 /nfs/dbraw/zinc/50/93/66/582509366.db2.gz SIFCUJMVFFMROK-KBPBESRZSA-N 1 3 235.375 2.287 10 30 BEEEHO C[C@@H]1NCCC[C@]12CCC[N@H+]2CCCCC#N ZINC000757132982 582509367 /nfs/dbraw/zinc/50/93/67/582509367.db2.gz SIFCUJMVFFMROK-KBPBESRZSA-N 1 3 235.375 2.287 10 30 BEEEHO C=CCCSCCN[C@@H]1CCC[NH2+]CC1 ZINC000596649703 348605518 /nfs/dbraw/zinc/60/55/18/348605518.db2.gz FISDGVCHLLETPS-GFCCVEGCSA-N 1 3 228.405 2.027 10 30 BEEEHO C=C(CN)C[N@H+](Cc1ccccc1)C(C)C ZINC000231592923 350875570 /nfs/dbraw/zinc/87/55/70/350875570.db2.gz DBABWMBPAVAYBA-UHFFFAOYSA-N 1 3 218.344 2.412 10 30 BEEEHO C=C(CN)C[N@@H+](Cc1ccccc1)C(C)C ZINC000231592923 350875573 /nfs/dbraw/zinc/87/55/73/350875573.db2.gz DBABWMBPAVAYBA-UHFFFAOYSA-N 1 3 218.344 2.412 10 30 BEEEHO C=CC(C)(C)CC[NH2+][C@@H]1CCCNCC1 ZINC000530212148 324527917 /nfs/dbraw/zinc/52/79/17/324527917.db2.gz OXBRNKDOODWTDQ-GFCCVEGCSA-N 1 3 210.365 2.320 10 30 BEEEHO C[C@@H]1CCCC[N@@H+]1Cc1cc(C#CCN)cs1 ZINC000043688793 582805774 /nfs/dbraw/zinc/80/57/74/582805774.db2.gz RHEZYSPYZWNHIN-GFCCVEGCSA-N 1 3 248.395 2.433 10 30 BEEEHO C[C@@H]1CCCC[N@H+]1Cc1cc(C#CCN)cs1 ZINC000043688793 582805775 /nfs/dbraw/zinc/80/57/75/582805775.db2.gz RHEZYSPYZWNHIN-GFCCVEGCSA-N 1 3 248.395 2.433 10 30 BEEEHO C=CCC1([NH2+]C[C@@H]2CCCNC2)CCCC1 ZINC000656791414 411370366 /nfs/dbraw/zinc/37/03/66/411370366.db2.gz FYCIVQDMNJBSRW-CYBMUJFWSA-N 1 3 222.376 2.465 10 30 BEEEHO C=CC[C@H]1CCCC[C@H]1[NH2+]C1CCNCC1 ZINC000665230781 412167467 /nfs/dbraw/zinc/16/74/67/412167467.db2.gz VWIADPNZYLYNSO-GXTWGEPZSA-N 1 3 222.376 2.463 10 30 BEEEHO C[C@H]1C[C@@H]1C[N@H+](C)Cc1ccc(C#CCN)s1 ZINC000104412187 177342446 /nfs/dbraw/zinc/34/24/46/177342446.db2.gz MCVQSDUIZHNGFE-NWDGAFQWSA-N 1 3 248.395 2.146 10 30 BEEEHO C[C@H]1C[C@@H]1C[N@@H+](C)Cc1ccc(C#CCN)s1 ZINC000104412187 177342447 /nfs/dbraw/zinc/34/24/47/177342447.db2.gz MCVQSDUIZHNGFE-NWDGAFQWSA-N 1 3 248.395 2.146 10 30 BEEEHO C[C@@H]1NCCC[C@@]12CCC[N@@H+]2CCCCC#N ZINC000757132995 582509378 /nfs/dbraw/zinc/50/93/78/582509378.db2.gz SIFCUJMVFFMROK-UONOGXRCSA-N 1 3 235.375 2.287 10 30 BEEEHO C[C@@H]1NCCC[C@@]12CCC[N@H+]2CCCCC#N ZINC000757132995 582509379 /nfs/dbraw/zinc/50/93/79/582509379.db2.gz SIFCUJMVFFMROK-UONOGXRCSA-N 1 3 235.375 2.287 10 30 BEEEHO