smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=CCOc1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)cc1 ZINC000092043063 400150046 /nfs/dbraw/zinc/15/00/46/400150046.db2.gz KENZSAUTGJSPCP-MJGOQNOKSA-N 2 1 300.446 3.168 10 30 DGEEMP C=CCOc1ccc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)cc1 ZINC000092043063 400150050 /nfs/dbraw/zinc/15/00/50/400150050.db2.gz KENZSAUTGJSPCP-MJGOQNOKSA-N 2 1 300.446 3.168 10 30 DGEEMP C=CCOc1ccc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)cc1 ZINC000092043063 400150056 /nfs/dbraw/zinc/15/00/56/400150056.db2.gz KENZSAUTGJSPCP-MJGOQNOKSA-N 2 1 300.446 3.168 10 30 DGEEMP C=CC[C@H]1CC[N@@H+](CCCN2CCN(c3ccccc3)CC2)C1 ZINC000625701819 401185453 /nfs/dbraw/zinc/18/54/53/401185453.db2.gz LQRGPATZGVGDHO-IBGZPJMESA-N 2 1 313.489 3.097 10 30 DGEEMP CCc1[nH+]ccn1[C@H]1CCC[N@H+](Cc2cc(C#N)cs2)C1 ZINC000122945160 431849457 /nfs/dbraw/zinc/84/94/57/431849457.db2.gz KUACCLIFGFDCPB-AWEZNQCLSA-N 2 1 300.431 3.216 10 30 DGEEMP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](Cc2cc(C#N)cs2)C1 ZINC000122945160 431849460 /nfs/dbraw/zinc/84/94/60/431849460.db2.gz KUACCLIFGFDCPB-AWEZNQCLSA-N 2 1 300.431 3.216 10 30 DGEEMP C[C@@H]1C[C@@H]([NH+](C)Cc2cccc(OCCCC#N)c2)CC[N@@H+]1C ZINC000093644151 431915781 /nfs/dbraw/zinc/91/57/81/431915781.db2.gz DDVRKJJYBZJMKZ-AEFFLSMTSA-N 2 1 315.461 3.284 10 30 DGEEMP C[C@@H]1C[C@@H]([NH+](C)Cc2cccc(OCCCC#N)c2)CC[N@H+]1C ZINC000093644151 431915783 /nfs/dbraw/zinc/91/57/83/431915783.db2.gz DDVRKJJYBZJMKZ-AEFFLSMTSA-N 2 1 315.461 3.284 10 30 DGEEMP C[C@@H]1C[C@@H]([N@H+](C)Cc2cccc(OCCCC#N)c2)CC[NH+]1C ZINC000093644151 431915784 /nfs/dbraw/zinc/91/57/84/431915784.db2.gz DDVRKJJYBZJMKZ-AEFFLSMTSA-N 2 1 315.461 3.284 10 30 DGEEMP C[C@@H]1C[C@@H]([N@@H+](C)Cc2cccc(OCCCC#N)c2)CC[NH+]1C ZINC000093644151 431915786 /nfs/dbraw/zinc/91/57/86/431915786.db2.gz DDVRKJJYBZJMKZ-AEFFLSMTSA-N 2 1 315.461 3.284 10 30 DGEEMP N#Cc1ccc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)c(F)c1 ZINC000047969830 431917321 /nfs/dbraw/zinc/91/73/21/431917321.db2.gz PFSIBSZSUQZNJL-UHFFFAOYSA-N 2 1 301.409 3.005 10 30 DGEEMP C#CCOc1ccc([C@@H](C)[NH2+]C2CC([NH+]3CCCCC3)C2)cc1 ZINC000373523296 433154439 /nfs/dbraw/zinc/15/44/39/433154439.db2.gz OYTNOKSXBWPEEH-IPJUCJBFSA-N 2 1 312.457 3.366 10 30 DGEEMP C=C[C@@H]1OCC[C@H]1[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000453341768 433102312 /nfs/dbraw/zinc/10/23/12/433102312.db2.gz CUDRSCYFGHZUET-IVDHNXQLSA-N 2 1 312.457 3.115 10 30 DGEEMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CCCC[C@@H]2[C@H]2CCOC2)CC1 ZINC000375470972 433469925 /nfs/dbraw/zinc/46/99/25/433469925.db2.gz RLMKUAIXBSFTAX-QXAKKESOSA-N 2 1 306.494 3.212 10 30 DGEEMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H](C)c1ccc(C#N)cc1F ZINC000358567099 434397877 /nfs/dbraw/zinc/39/78/77/434397877.db2.gz JFCNZTRDDVYUKH-QWHCGFSZSA-N 2 1 300.381 3.189 10 30 DGEEMP C=C(C)COCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000539060539 435535638 /nfs/dbraw/zinc/53/56/38/435535638.db2.gz UBGVBGKIFMHMBK-PKOBYXMFSA-N 2 1 302.462 3.079 10 30 DGEEMP C=C(C)COCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000539060539 435535642 /nfs/dbraw/zinc/53/56/42/435535642.db2.gz UBGVBGKIFMHMBK-PKOBYXMFSA-N 2 1 302.462 3.079 10 30 DGEEMP C=C(Cl)C[N@@H+](C)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000105915719 432019228 /nfs/dbraw/zinc/01/92/28/432019228.db2.gz OMYRPHUNXKOMNZ-GOSISDBHSA-N 2 1 322.880 3.116 10 30 DGEEMP C[NH+](CC#CC[N@H+](C)C(C1CC1)C1CC1)C(C1CC1)C1CC1 ZINC000472748662 244313634 /nfs/dbraw/zinc/31/36/34/244313634.db2.gz IDHXJTGPMRTYKY-UHFFFAOYSA-N 2 1 300.490 3.231 10 30 DGEEMP C#CCCOc1ccc(C[NH+](C)[C@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000093644505 431915671 /nfs/dbraw/zinc/91/56/71/431915671.db2.gz DHABWNVALKDXFQ-AEFFLSMTSA-N 2 1 300.446 3.003 10 30 DGEEMP C#CCCOc1ccc(C[NH+](C)[C@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000093644505 431915673 /nfs/dbraw/zinc/91/56/73/431915673.db2.gz DHABWNVALKDXFQ-AEFFLSMTSA-N 2 1 300.446 3.003 10 30 DGEEMP C#CCCOc1ccc(C[N@@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)cc1 ZINC000093644505 431915675 /nfs/dbraw/zinc/91/56/75/431915675.db2.gz DHABWNVALKDXFQ-AEFFLSMTSA-N 2 1 300.446 3.003 10 30 DGEEMP C#CCCOc1ccc(C[N@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)cc1 ZINC000093644505 431915678 /nfs/dbraw/zinc/91/56/78/431915678.db2.gz DHABWNVALKDXFQ-AEFFLSMTSA-N 2 1 300.446 3.003 10 30 DGEEMP C=CCOc1cccc(C[NH+](C)[C@@H]2CC[N@H+](CC)C[C@H]2C)c1 ZINC000130483123 341022823 /nfs/dbraw/zinc/02/28/23/341022823.db2.gz BITLJLZNDAOOTR-VQIMIIECSA-N 2 1 302.462 3.414 10 30 DGEEMP C=CCOc1cccc(C[N@@H+](C)[C@@H]2CC[NH+](CC)C[C@H]2C)c1 ZINC000130483123 341022824 /nfs/dbraw/zinc/02/28/24/341022824.db2.gz BITLJLZNDAOOTR-VQIMIIECSA-N 2 1 302.462 3.414 10 30 DGEEMP C=CCOc1cccc(C[N@H+](C)[C@@H]2CC[NH+](CC)C[C@H]2C)c1 ZINC000130483123 341022825 /nfs/dbraw/zinc/02/28/25/341022825.db2.gz BITLJLZNDAOOTR-VQIMIIECSA-N 2 1 302.462 3.414 10 30 DGEEMP C=CCOc1ccccc1C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000552268480 341382359 /nfs/dbraw/zinc/38/23/59/341382359.db2.gz KVMFBCVMPYSRLS-RCCFBDPRSA-N 2 1 300.446 3.214 10 30 DGEEMP C=CCOc1ccc(C[NH2+]C2CC[NH+](C(C)C)CC2)cc1OC ZINC000237110951 1202647752 /nfs/dbraw/zinc/64/77/52/1202647752.db2.gz DLJYZVZFGJODKJ-UHFFFAOYSA-N 2 1 318.461 3.222 10 30 DGEEMP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC000160002966 529760710 /nfs/dbraw/zinc/76/07/10/529760710.db2.gz HGCWISOXSICKQQ-GOSISDBHSA-N 2 1 311.404 3.273 10 30 DGEEMP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC000160002966 529760711 /nfs/dbraw/zinc/76/07/11/529760711.db2.gz HGCWISOXSICKQQ-GOSISDBHSA-N 2 1 311.404 3.273 10 30 DGEEMP C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CC[C@H](C#N)C2)[C@@H]1c1cccs1 ZINC000442791159 530061033 /nfs/dbraw/zinc/06/10/33/530061033.db2.gz NEMNLSZDAZZJOG-KLZNWCGWSA-N 2 1 303.475 3.413 10 30 DGEEMP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CC[C@H](C#N)C2)[C@@H]1c1cccs1 ZINC000442791159 530061034 /nfs/dbraw/zinc/06/10/34/530061034.db2.gz NEMNLSZDAZZJOG-KLZNWCGWSA-N 2 1 303.475 3.413 10 30 DGEEMP C=CC[NH+](CC=C)[C@@H](CN[C@@H]1CC[N@@H+](C)C(C)(C)C1)C(C)C ZINC000623355416 401498428 /nfs/dbraw/zinc/49/84/28/401498428.db2.gz MMTKJLBBERYUJD-MSOLQXFVSA-N 2 1 307.526 3.147 10 30 DGEEMP C=CCN(CC=C)[C@@H](C[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)C(C)C ZINC000623355416 401498431 /nfs/dbraw/zinc/49/84/31/401498431.db2.gz MMTKJLBBERYUJD-MSOLQXFVSA-N 2 1 307.526 3.147 10 30 DGEEMP C=CCN(CC=C)[C@@H](C[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)C(C)C ZINC000623355416 401498434 /nfs/dbraw/zinc/49/84/34/401498434.db2.gz MMTKJLBBERYUJD-MSOLQXFVSA-N 2 1 307.526 3.147 10 30 DGEEMP C=CCC[C@@H](C[N@H+](C)Cc1cnccn1)Oc1ccnc(C)c1 ZINC000072481131 431335525 /nfs/dbraw/zinc/33/55/25/431335525.db2.gz PLBJBCITRJYZSZ-SFHVURJKSA-N 2 1 312.417 3.026 10 30 DGEEMP Cc1cccc(NC[C@@H]2CC[N@H+](CC(C)(C)CCC#N)C2)[nH+]1 ZINC000092813451 431911526 /nfs/dbraw/zinc/91/15/26/431911526.db2.gz JDWKMTCTYKRSOR-INIZCTEOSA-N 2 1 300.450 3.454 10 30 DGEEMP Cc1cccc(NC[C@@H]2CC[N@@H+](CC(C)(C)CCC#N)C2)[nH+]1 ZINC000092813451 431911527 /nfs/dbraw/zinc/91/15/27/431911527.db2.gz JDWKMTCTYKRSOR-INIZCTEOSA-N 2 1 300.450 3.454 10 30 DGEEMP C[C@H]1C[C@H]([NH+](C)Cc2cccc(OCCCC#N)c2)CC[N@@H+]1C ZINC000093644150 431916437 /nfs/dbraw/zinc/91/64/37/431916437.db2.gz DDVRKJJYBZJMKZ-FUHWJXTLSA-N 2 1 315.461 3.284 10 30 DGEEMP C[C@H]1C[C@H]([NH+](C)Cc2cccc(OCCCC#N)c2)CC[N@H+]1C ZINC000093644150 431916440 /nfs/dbraw/zinc/91/64/40/431916440.db2.gz DDVRKJJYBZJMKZ-FUHWJXTLSA-N 2 1 315.461 3.284 10 30 DGEEMP C[C@H]1C[C@H]([N@H+](C)Cc2cccc(OCCCC#N)c2)CC[NH+]1C ZINC000093644150 431916442 /nfs/dbraw/zinc/91/64/42/431916442.db2.gz DDVRKJJYBZJMKZ-FUHWJXTLSA-N 2 1 315.461 3.284 10 30 DGEEMP C[C@H]1C[C@H]([N@@H+](C)Cc2cccc(OCCCC#N)c2)CC[NH+]1C ZINC000093644150 431916444 /nfs/dbraw/zinc/91/64/44/431916444.db2.gz DDVRKJJYBZJMKZ-FUHWJXTLSA-N 2 1 315.461 3.284 10 30 DGEEMP Cc1ccc(N2CCC([NH2+]Cc3cccc(C#N)c3)CC2)[nH+]c1 ZINC000174430844 432347213 /nfs/dbraw/zinc/34/72/13/432347213.db2.gz ZEDNNELFYPOYKP-UHFFFAOYSA-N 2 1 306.413 3.020 10 30 DGEEMP C=CCCC[C@H](C)[N@@H+](C)C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000425990711 433395578 /nfs/dbraw/zinc/39/55/78/433395578.db2.gz OGISRPCEMJDWFZ-AZUAARDMSA-N 2 1 316.489 3.300 10 30 DGEEMP C=CCCC[C@H](C)[N@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000425990711 433395590 /nfs/dbraw/zinc/39/55/90/433395590.db2.gz OGISRPCEMJDWFZ-AZUAARDMSA-N 2 1 316.489 3.300 10 30 DGEEMP C=CCCC[C@H](C)[N@@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000425990711 433395598 /nfs/dbraw/zinc/39/55/98/433395598.db2.gz OGISRPCEMJDWFZ-AZUAARDMSA-N 2 1 316.489 3.300 10 30 DGEEMP C=CCCC[C@H](C)[NH+](C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000425990711 433395609 /nfs/dbraw/zinc/39/56/09/433395609.db2.gz OGISRPCEMJDWFZ-AZUAARDMSA-N 2 1 316.489 3.300 10 30 DGEEMP C=CCCC[C@H](C)[NH+](C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000425990711 433395620 /nfs/dbraw/zinc/39/56/20/433395620.db2.gz OGISRPCEMJDWFZ-AZUAARDMSA-N 2 1 316.489 3.300 10 30 DGEEMP C=CCOc1ccc(C[N@@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)cc1 ZINC000424369831 434713673 /nfs/dbraw/zinc/71/36/73/434713673.db2.gz BQTQUECUTASPRR-INIZCTEOSA-N 2 1 300.446 3.215 10 30 DGEEMP C=CCCOCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000580191528 435212284 /nfs/dbraw/zinc/21/22/84/435212284.db2.gz KNUPAKVZHKPXFF-LJQANCHMSA-N 2 1 314.473 3.366 10 30 DGEEMP C=CCCOCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000580191528 435212287 /nfs/dbraw/zinc/21/22/87/435212287.db2.gz KNUPAKVZHKPXFF-LJQANCHMSA-N 2 1 314.473 3.366 10 30 DGEEMP C=CCCOCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000580191527 435212867 /nfs/dbraw/zinc/21/28/67/435212867.db2.gz KNUPAKVZHKPXFF-IBGZPJMESA-N 2 1 314.473 3.366 10 30 DGEEMP C=CCCOCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000580191527 435212870 /nfs/dbraw/zinc/21/28/70/435212870.db2.gz KNUPAKVZHKPXFF-IBGZPJMESA-N 2 1 314.473 3.366 10 30 DGEEMP C=CCOc1ccc(C[NH+](C)[C@H]2CC[N@H+](CC)C[C@@H]2C)cc1 ZINC000536681789 435402194 /nfs/dbraw/zinc/40/21/94/435402194.db2.gz ZQIUSMJIZLVOLN-LPHOPBHVSA-N 2 1 302.462 3.414 10 30 DGEEMP C=CCOc1ccc(C[N@@H+](C)[C@H]2CC[NH+](CC)C[C@@H]2C)cc1 ZINC000536681789 435402199 /nfs/dbraw/zinc/40/21/99/435402199.db2.gz ZQIUSMJIZLVOLN-LPHOPBHVSA-N 2 1 302.462 3.414 10 30 DGEEMP C=CCOc1ccc(C[N@H+](C)[C@H]2CC[NH+](CC)C[C@@H]2C)cc1 ZINC000536681789 435402205 /nfs/dbraw/zinc/40/22/05/435402205.db2.gz ZQIUSMJIZLVOLN-LPHOPBHVSA-N 2 1 302.462 3.414 10 30 DGEEMP C=CCOc1ccc(CN2CC[C@@H](C[N@@H+](C)CC3CC3)C2)cc1 ZINC000536698562 435405397 /nfs/dbraw/zinc/40/53/97/435405397.db2.gz REZZAKPEBKYXBF-IBGZPJMESA-N 2 1 314.473 3.415 10 30 DGEEMP C=CCOc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)CC3CC3)C2)cc1 ZINC000536698562 435405401 /nfs/dbraw/zinc/40/54/01/435405401.db2.gz REZZAKPEBKYXBF-IBGZPJMESA-N 2 1 314.473 3.415 10 30 DGEEMP C=CCOc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)CC3CC3)C2)cc1 ZINC000536698562 435405404 /nfs/dbraw/zinc/40/54/04/435405404.db2.gz REZZAKPEBKYXBF-IBGZPJMESA-N 2 1 314.473 3.415 10 30 DGEEMP C=CCOc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)cc1 ZINC000536698562 435405411 /nfs/dbraw/zinc/40/54/11/435405411.db2.gz REZZAKPEBKYXBF-IBGZPJMESA-N 2 1 314.473 3.415 10 30 DGEEMP C=CCOc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)cc1 ZINC000536698562 435405413 /nfs/dbraw/zinc/40/54/13/435405413.db2.gz REZZAKPEBKYXBF-IBGZPJMESA-N 2 1 314.473 3.415 10 30 DGEEMP C=CCOc1ccccc1C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000552268477 341382400 /nfs/dbraw/zinc/38/24/00/341382400.db2.gz KVMFBCVMPYSRLS-KSZLIROESA-N 2 1 300.446 3.214 10 30 DGEEMP C=CCOCCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000348047848 526760542 /nfs/dbraw/zinc/76/05/42/526760542.db2.gz GAWPVFHYIIRRGJ-PKOBYXMFSA-N 2 1 302.462 3.079 10 30 DGEEMP C=CCOCCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000348047848 526760546 /nfs/dbraw/zinc/76/05/46/526760546.db2.gz GAWPVFHYIIRRGJ-PKOBYXMFSA-N 2 1 302.462 3.079 10 30 DGEEMP Cc1cccc(NC(=[NH2+])NC[C@H](C)[N@@H+]2CCc3ccccc3C2)c1 ZINC000303886010 657697303 /nfs/dbraw/zinc/69/73/03/657697303.db2.gz NPTSNUVMASBHOW-INIZCTEOSA-N 2 1 322.456 3.168 10 30 DGEEMP Cc1cccc(NC(=[NH2+])NC[C@H](C)[N@H+]2CCc3ccccc3C2)c1 ZINC000303886010 657697306 /nfs/dbraw/zinc/69/73/06/657697306.db2.gz NPTSNUVMASBHOW-INIZCTEOSA-N 2 1 322.456 3.168 10 30 DGEEMP C#CC[N@H+](C)CCC[NH2+]Cc1ccc(C)c(Br)c1C ZINC000719531931 1104942368 /nfs/dbraw/zinc/94/23/68/1104942368.db2.gz AZMHYTONHHSBIR-UHFFFAOYSA-N 2 1 323.278 3.111 10 30 DGEEMP C#CC[N@@H+](C)CCC[NH2+]Cc1ccc(C)c(Br)c1C ZINC000719531931 1104942372 /nfs/dbraw/zinc/94/23/72/1104942372.db2.gz AZMHYTONHHSBIR-UHFFFAOYSA-N 2 1 323.278 3.111 10 30 DGEEMP C[C@@H](c1ccc(C#N)cc1)[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000118398401 431603556 /nfs/dbraw/zinc/60/35/56/431603556.db2.gz NGFAFHUPFBZBDV-HNNXBMFYSA-N 2 1 308.429 3.307 10 30 DGEEMP C=CCC[C@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)C1CC1 ZINC000119902292 431719614 /nfs/dbraw/zinc/71/96/14/431719614.db2.gz RZTXUMRAAVRZHR-FQEVSTJZSA-N 2 1 314.473 3.353 10 30 DGEEMP C=CCOc1ccc(C[N@H+]2CC[C@@H](C[NH+](CC)CC)C2)cc1 ZINC000093692750 431916973 /nfs/dbraw/zinc/91/69/73/431916973.db2.gz GOHQERGITXUPRH-SFHVURJKSA-N 2 1 302.462 3.415 10 30 DGEEMP C=CCOc1ccc(C[N@@H+]2CC[C@@H](C[NH+](CC)CC)C2)cc1 ZINC000093692750 431916974 /nfs/dbraw/zinc/91/69/74/431916974.db2.gz GOHQERGITXUPRH-SFHVURJKSA-N 2 1 302.462 3.415 10 30 DGEEMP Cc1cccc(NC(=[NH2+])NC[C@H](c2ccco2)[NH+]2CCCC2)c1 ZINC000263225973 432527760 /nfs/dbraw/zinc/52/77/60/432527760.db2.gz GNCFUNNOEZCTFL-MRXNPFEDSA-N 2 1 312.417 3.152 10 30 DGEEMP Cc1cccc(N2CCC([NH2+]Cc3ccc(C#N)s3)CC2)[nH+]1 ZINC000176971507 432571006 /nfs/dbraw/zinc/57/10/06/432571006.db2.gz AUXZAIICMIKXLJ-UHFFFAOYSA-N 2 1 312.442 3.082 10 30 DGEEMP C=CCCC[C@H](C)[N@@H+](C)C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000425990712 433394081 /nfs/dbraw/zinc/39/40/81/433394081.db2.gz OGISRPCEMJDWFZ-ICSRJNTNSA-N 2 1 316.489 3.300 10 30 DGEEMP C=CCCC[C@H](C)[N@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000425990712 433394091 /nfs/dbraw/zinc/39/40/91/433394091.db2.gz OGISRPCEMJDWFZ-ICSRJNTNSA-N 2 1 316.489 3.300 10 30 DGEEMP C=CCCC[C@H](C)[N@@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000425990712 433394104 /nfs/dbraw/zinc/39/41/04/433394104.db2.gz OGISRPCEMJDWFZ-ICSRJNTNSA-N 2 1 316.489 3.300 10 30 DGEEMP C=CCCC[C@H](C)[NH+](C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000425990712 433394116 /nfs/dbraw/zinc/39/41/16/433394116.db2.gz OGISRPCEMJDWFZ-ICSRJNTNSA-N 2 1 316.489 3.300 10 30 DGEEMP C=CCCC[C@H](C)[NH+](C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000425990712 433394125 /nfs/dbraw/zinc/39/41/25/433394125.db2.gz OGISRPCEMJDWFZ-ICSRJNTNSA-N 2 1 316.489 3.300 10 30 DGEEMP C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000424173406 434643792 /nfs/dbraw/zinc/64/37/92/434643792.db2.gz PSRUXZGVPDANCQ-FFGOWVMKSA-N 2 1 314.473 3.220 10 30 DGEEMP C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000424173406 434643796 /nfs/dbraw/zinc/64/37/96/434643796.db2.gz PSRUXZGVPDANCQ-FFGOWVMKSA-N 2 1 314.473 3.220 10 30 DGEEMP C=CCOc1ccc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc1 ZINC000131805307 332037088 /nfs/dbraw/zinc/03/70/88/332037088.db2.gz ONTPNRSAZFWWGN-AYHJJNSGSA-N 2 1 300.446 3.356 10 30 DGEEMP C=CCC[N@H+](CCC)C1CCN(c2cc(C)nc(C)n2)CC1 ZINC000133105063 341154849 /nfs/dbraw/zinc/15/48/49/341154849.db2.gz XCKCLNLOUXSHOL-UHFFFAOYSA-N 2 1 302.466 3.350 10 30 DGEEMP C=CCC[N@@H+](CCC)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000133105063 341154850 /nfs/dbraw/zinc/15/48/50/341154850.db2.gz XCKCLNLOUXSHOL-UHFFFAOYSA-N 2 1 302.466 3.350 10 30 DGEEMP C=CCC[N@H+](CCC)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000133105063 341154851 /nfs/dbraw/zinc/15/48/51/341154851.db2.gz XCKCLNLOUXSHOL-UHFFFAOYSA-N 2 1 302.466 3.350 10 30 DGEEMP C#CC[N@H+](C)CCC[NH2+]CC(c1ccccc1)c1ccccc1 ZINC000328274782 1176639365 /nfs/dbraw/zinc/63/93/65/1176639365.db2.gz OGSQAKOWXPLDSV-UHFFFAOYSA-N 2 1 306.453 3.363 10 30 DGEEMP C#CC[N@@H+](C)CCC[NH2+]CC(c1ccccc1)c1ccccc1 ZINC000328274782 1176639370 /nfs/dbraw/zinc/63/93/70/1176639370.db2.gz OGSQAKOWXPLDSV-UHFFFAOYSA-N 2 1 306.453 3.363 10 30 DGEEMP C=CCCC[C@H](C)[NH+]1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000091510002 400125034 /nfs/dbraw/zinc/12/50/34/400125034.db2.gz KLYGTGBBADMHBL-GBESFXJTSA-N 2 1 307.526 3.222 10 30 DGEEMP C=CCOc1ccc(C[NH2+]C2CC[NH+](CC(=C)C)CC2)cc1 ZINC000106246307 400326472 /nfs/dbraw/zinc/32/64/72/400326472.db2.gz ZRJXKBIGMISCAI-UHFFFAOYSA-N 2 1 300.446 3.382 10 30 DGEEMP N#Cc1c(C[NH+]2CCC(C[NH+]3CCCC3)CC2)cn2ccccc12 ZINC000193081000 165316797 /nfs/dbraw/zinc/31/67/97/165316797.db2.gz MSIFFWNCCIUNJE-UHFFFAOYSA-N 2 1 322.456 3.119 10 30 DGEEMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CCCSCC#N)cc1 ZINC000183148031 228371624 /nfs/dbraw/zinc/37/16/24/228371624.db2.gz YBTARLVQTCBPOO-CQSZACIVSA-N 2 1 314.458 3.478 10 30 DGEEMP N#CCCCOc1cccc(C[N@H+]2CCC[C@@H]2Cn2ccnc2)c1 ZINC000188413541 432723743 /nfs/dbraw/zinc/72/37/43/432723743.db2.gz FNZYFLPIVFFOIY-GOSISDBHSA-N 2 1 324.428 3.230 10 30 DGEEMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CCc3cc(F)c(OC)cc32)CC1 ZINC000281307106 433280584 /nfs/dbraw/zinc/28/05/84/433280584.db2.gz RORCVPJCRKZIFS-GOSISDBHSA-N 2 1 318.436 3.452 10 30 DGEEMP N#CCC1(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC000366756489 434504845 /nfs/dbraw/zinc/50/48/45/434504845.db2.gz KWLSILZETDXHBC-YQQQUEKLSA-N 2 1 309.457 3.465 10 30 DGEEMP C=CCC[C@@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)C1CC1 ZINC000119902452 337867495 /nfs/dbraw/zinc/86/74/95/337867495.db2.gz RZTXUMRAAVRZHR-HXUWFJFHSA-N 2 1 314.473 3.353 10 30 DGEEMP C=C(C)C[NH+]1CCC([NH2+]C[C@@H](C)c2ccc(OC)cc2)CC1 ZINC000182187791 526602305 /nfs/dbraw/zinc/60/23/05/526602305.db2.gz WIKFECBLPSEMMN-MRXNPFEDSA-N 2 1 302.462 3.429 10 30 DGEEMP C=C(C)C[NH+]1CCC([NH2+]Cc2cc(Cl)cc(C)c2O)CC1 ZINC000182188120 526602821 /nfs/dbraw/zinc/60/28/21/526602821.db2.gz KDXDDRLGGAOFRD-UHFFFAOYSA-N 2 1 308.853 3.484 10 30 DGEEMP Cc1cccc(NC(=[NH2+])NCCCC[N@@H+]2CCC[C@@H](C)C2)c1 ZINC000104169899 617962788 /nfs/dbraw/zinc/96/27/88/617962788.db2.gz UGFGYQSLHQOPSE-MRXNPFEDSA-N 2 1 302.466 3.234 10 30 DGEEMP CCCC[N@H+]1CCCC[C@H]1CNC(=[NH2+])Nc1cccc(C)c1 ZINC000303891477 657573401 /nfs/dbraw/zinc/57/34/01/657573401.db2.gz QRXOQUQDXAHRPZ-KRWDZBQOSA-N 2 1 302.466 3.376 10 30 DGEEMP C[C@@H](CCNC(=[NH2+])NC1CCCCC1)[N@@H+](C)Cc1ccccc1 ZINC000304490557 657635928 /nfs/dbraw/zinc/63/59/28/657635928.db2.gz LNWYLAKZXOCUFK-INIZCTEOSA-N 2 1 316.493 3.134 10 30 DGEEMP C=C[C@@H]1OCC[C@H]1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000424173410 434644399 /nfs/dbraw/zinc/64/43/99/434644399.db2.gz PSRUXZGVPDANCQ-LEAZDLGRSA-N 2 1 314.473 3.220 10 30 DGEEMP C=C[C@@H]1OCC[C@H]1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000424173410 434644405 /nfs/dbraw/zinc/64/44/05/434644405.db2.gz PSRUXZGVPDANCQ-LEAZDLGRSA-N 2 1 314.473 3.220 10 30 DGEEMP C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CC[C@H](C#N)C2)[C@H]1c1cccs1 ZINC000442791155 434771792 /nfs/dbraw/zinc/77/17/92/434771792.db2.gz NEMNLSZDAZZJOG-HWMZRRJGSA-N 2 1 303.475 3.413 10 30 DGEEMP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CC[C@H](C#N)C2)[C@H]1c1cccs1 ZINC000442791155 434771799 /nfs/dbraw/zinc/77/17/99/434771799.db2.gz NEMNLSZDAZZJOG-HWMZRRJGSA-N 2 1 303.475 3.413 10 30 DGEEMP C=CCOc1ccc(C[NH+]2CC[C@]3(C2)CCC[N@@H+](C)C3)cc1 ZINC000354174284 526872343 /nfs/dbraw/zinc/87/23/43/526872343.db2.gz BGEULSYXMUUODM-LJQANCHMSA-N 2 1 300.446 3.169 10 30 DGEEMP C=CCOc1ccc(C[NH+]2CC[C@]3(C2)CCC[N@H+](C)C3)cc1 ZINC000354174284 526872349 /nfs/dbraw/zinc/87/23/49/526872349.db2.gz BGEULSYXMUUODM-LJQANCHMSA-N 2 1 300.446 3.169 10 30 DGEEMP C=CCOc1ccc(C[N@H+]2CC[C@]3(C2)CCC[NH+](C)C3)cc1 ZINC000354174284 526872353 /nfs/dbraw/zinc/87/23/53/526872353.db2.gz BGEULSYXMUUODM-LJQANCHMSA-N 2 1 300.446 3.169 10 30 DGEEMP C=CCOc1ccc(C[N@@H+]2CC[C@]3(C2)CCC[NH+](C)C3)cc1 ZINC000354174284 526872358 /nfs/dbraw/zinc/87/23/58/526872358.db2.gz BGEULSYXMUUODM-LJQANCHMSA-N 2 1 300.446 3.169 10 30 DGEEMP C=C(Cl)C[N@@H+](C)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000105915716 432019724 /nfs/dbraw/zinc/01/97/24/432019724.db2.gz OMYRPHUNXKOMNZ-SFHVURJKSA-N 2 1 322.880 3.116 10 30 DGEEMP CCCCCCCCCCCCCC(=O)NCC[NH2+]CC[NH3+] ZINC000111891689 400369500 /nfs/dbraw/zinc/36/95/00/400369500.db2.gz VEARCFDPCWJRGD-UHFFFAOYSA-N 2 1 313.530 3.352 10 30 DGEEMP C=C[C@@H]1OCC[C@H]1C[NH2+]CC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000424176845 434646819 /nfs/dbraw/zinc/64/68/19/434646819.db2.gz RXRKLGLCWDVDNX-OALUTQOASA-N 2 1 316.489 3.325 10 30 DGEEMP C=C[C@@H]1OCC[C@H]1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000424294316 434681275 /nfs/dbraw/zinc/68/12/75/434681275.db2.gz KNTBFNDLMYYKAI-GTAWCEEGSA-N 2 1 314.473 3.078 10 30 DGEEMP C#CCCOc1ccc(C[NH+](C)[C@@H]2CC[N@H+](CC)C[C@H]2C)cc1 ZINC000093639256 660537537 /nfs/dbraw/zinc/53/75/37/660537537.db2.gz CEYMSMKWTPPUSF-YLJYHZDGSA-N 2 1 314.473 3.251 10 30 DGEEMP C#CCCOc1ccc(C[N@@H+](C)[C@@H]2CC[NH+](CC)C[C@H]2C)cc1 ZINC000093639256 660537539 /nfs/dbraw/zinc/53/75/39/660537539.db2.gz CEYMSMKWTPPUSF-YLJYHZDGSA-N 2 1 314.473 3.251 10 30 DGEEMP C#CCCOc1ccc(C[N@H+](C)[C@@H]2CC[NH+](CC)C[C@H]2C)cc1 ZINC000093639256 660537540 /nfs/dbraw/zinc/53/75/40/660537540.db2.gz CEYMSMKWTPPUSF-YLJYHZDGSA-N 2 1 314.473 3.251 10 30 DGEEMP Cc1cccc(NC(=[NH2+])NCCCC[N@@H+]2CCCC[C@@H]2C)c1 ZINC000303905568 657578497 /nfs/dbraw/zinc/57/84/97/657578497.db2.gz VRQYOHOTTDMHJC-INIZCTEOSA-N 2 1 302.466 3.376 10 30 DGEEMP C[C@H]1CC[N@@H+](CC#Cc2ccc(Cl)cc2)C[C@@H]1n1ccnc1 ZINC000129437984 432005898 /nfs/dbraw/zinc/00/58/98/432005898.db2.gz UHENEZVIMGOORC-YJBOKZPZSA-N 2 1 313.832 3.471 10 30 DGEEMP C=C(C)C[NH+]1CCC([NH2+]C/C=C/c2ccccc2OC)CC1 ZINC000106245229 432020481 /nfs/dbraw/zinc/02/04/81/432020481.db2.gz VJLOLZNTDKNZKJ-SOFGYWHQSA-N 2 1 300.446 3.339 10 30 DGEEMP CCCCCCC[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000182616592 432210969 /nfs/dbraw/zinc/21/09/69/432210969.db2.gz XRIBZUGHTWQKTL-DFNIBXOVSA-N 2 1 307.526 3.200 10 30 DGEEMP CN(Cc1cccnc1)C[C@@H]1CC[N@@H+](CCCC(C)(C)C#N)C1 ZINC000195299673 432617193 /nfs/dbraw/zinc/61/71/93/432617193.db2.gz MTKYCAVGWLDCJL-SFHVURJKSA-N 2 1 314.477 3.165 10 30 DGEEMP C[N@@H+](Cc1cccnc1)C[C@@H]1CC[NH+](CCCC(C)(C)C#N)C1 ZINC000195299673 432617195 /nfs/dbraw/zinc/61/71/95/432617195.db2.gz MTKYCAVGWLDCJL-SFHVURJKSA-N 2 1 314.477 3.165 10 30 DGEEMP C[N@H+](Cc1cccnc1)C[C@@H]1CC[NH+](CCCC(C)(C)C#N)C1 ZINC000195299673 432617201 /nfs/dbraw/zinc/61/72/01/432617201.db2.gz MTKYCAVGWLDCJL-SFHVURJKSA-N 2 1 314.477 3.165 10 30 DGEEMP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@H+](CCCC(C)(C)C#N)C1 ZINC000195299673 432617203 /nfs/dbraw/zinc/61/72/03/432617203.db2.gz MTKYCAVGWLDCJL-SFHVURJKSA-N 2 1 314.477 3.165 10 30 DGEEMP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@@H+](CCCC(C)(C)C#N)C1 ZINC000195299673 432617207 /nfs/dbraw/zinc/61/72/07/432617207.db2.gz MTKYCAVGWLDCJL-SFHVURJKSA-N 2 1 314.477 3.165 10 30 DGEEMP C[C@@H](C[NH2+][C@@H](C)c1ccc(C#N)cc1F)C[NH+]1CCCCC1 ZINC000512659705 435366084 /nfs/dbraw/zinc/36/60/84/435366084.db2.gz JJFQCWVWVLFNTF-GJZGRUSLSA-N 2 1 303.425 3.470 10 30 DGEEMP C=CCOc1ccccc1C[NH+](C)[C@@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000539817321 435569553 /nfs/dbraw/zinc/56/95/53/435569553.db2.gz NSMAKJGEQAXRIC-FUHWJXTLSA-N 2 1 302.462 3.414 10 30 DGEEMP C=CCOc1ccccc1C[NH+](C)[C@@H]1CC[N@H+](CC)C[C@@H]1C ZINC000539817321 435569556 /nfs/dbraw/zinc/56/95/56/435569556.db2.gz NSMAKJGEQAXRIC-FUHWJXTLSA-N 2 1 302.462 3.414 10 30 DGEEMP C=CCOc1ccccc1C[N@@H+](C)[C@@H]1CC[NH+](CC)C[C@@H]1C ZINC000539817321 435569559 /nfs/dbraw/zinc/56/95/59/435569559.db2.gz NSMAKJGEQAXRIC-FUHWJXTLSA-N 2 1 302.462 3.414 10 30 DGEEMP C=CCOc1ccccc1C[N@H+](C)[C@@H]1CC[NH+](CC)C[C@@H]1C ZINC000539817321 435569563 /nfs/dbraw/zinc/56/95/63/435569563.db2.gz NSMAKJGEQAXRIC-FUHWJXTLSA-N 2 1 302.462 3.414 10 30 DGEEMP C=CCOc1ccccc1C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000552268478 341382457 /nfs/dbraw/zinc/38/24/57/341382457.db2.gz KVMFBCVMPYSRLS-KURKYZTESA-N 2 1 300.446 3.214 10 30 DGEEMP C=C(C)C[NH+]1CCC([NH2+]Cc2cc(-n3ccnc3)cs2)CC1 ZINC000344069111 526602383 /nfs/dbraw/zinc/60/23/83/526602383.db2.gz KTMAFACFZFGRJY-UHFFFAOYSA-N 2 1 316.474 3.064 10 30 DGEEMP C=CC[NH+]1CCC([NH2+]Cc2ccc(N(CC)CC)cc2)CC1 ZINC000236914804 1202635144 /nfs/dbraw/zinc/63/51/44/1202635144.db2.gz OLGMUPGERAAELB-UHFFFAOYSA-N 2 1 301.478 3.273 10 30 DGEEMP C=C(C)C[NH+]1CCC([NH2+]Cc2ccc(C3(C#N)CC3)cc2)CC1 ZINC000594919955 401189271 /nfs/dbraw/zinc/18/92/71/401189271.db2.gz KYPVITGSQSIHHD-UHFFFAOYSA-N 2 1 309.457 3.372 10 30 DGEEMP C=CCOc1ccccc1C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000093597527 431915408 /nfs/dbraw/zinc/91/54/08/431915408.db2.gz SEVURNDZUWOUII-KRWDZBQOSA-N 2 1 300.446 3.169 10 30 DGEEMP C=CCOc1ccccc1C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000093597527 431915410 /nfs/dbraw/zinc/91/54/10/431915410.db2.gz SEVURNDZUWOUII-KRWDZBQOSA-N 2 1 300.446 3.169 10 30 DGEEMP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CC#Cc1ccc(Cl)cc1 ZINC000177372740 432617200 /nfs/dbraw/zinc/61/72/00/432617200.db2.gz ULFJKPDFUMEDCL-GOSISDBHSA-N 2 1 313.832 3.361 10 30 DGEEMP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1CC#Cc1ccc(Cl)cc1 ZINC000177372740 432617204 /nfs/dbraw/zinc/61/72/04/432617204.db2.gz ULFJKPDFUMEDCL-GOSISDBHSA-N 2 1 313.832 3.361 10 30 DGEEMP N#Cc1ccc(C[NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)o1 ZINC000374600426 433233520 /nfs/dbraw/zinc/23/35/20/433233520.db2.gz BOKGTZRASSCKHP-FFZOFVMBSA-N 2 1 321.424 3.151 10 30 DGEEMP N#Cc1ccc(C[NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)o1 ZINC000374600426 433233529 /nfs/dbraw/zinc/23/35/29/433233529.db2.gz BOKGTZRASSCKHP-FFZOFVMBSA-N 2 1 321.424 3.151 10 30 DGEEMP C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000424173412 434644134 /nfs/dbraw/zinc/64/41/34/434644134.db2.gz PSRUXZGVPDANCQ-MDNKFWRPSA-N 2 1 314.473 3.220 10 30 DGEEMP C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000424173412 434644139 /nfs/dbraw/zinc/64/41/39/434644139.db2.gz PSRUXZGVPDANCQ-MDNKFWRPSA-N 2 1 314.473 3.220 10 30 DGEEMP C=CCOc1ccc(C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)cc1 ZINC000565117625 435277101 /nfs/dbraw/zinc/27/71/01/435277101.db2.gz VRRYFWRTFHAEDN-IEBWSBKVSA-N 2 1 300.446 3.168 10 30 DGEEMP C=CCOc1ccc(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@H]32)cc1 ZINC000565117625 435277108 /nfs/dbraw/zinc/27/71/08/435277108.db2.gz VRRYFWRTFHAEDN-IEBWSBKVSA-N 2 1 300.446 3.168 10 30 DGEEMP C=CCOc1ccc(C[N@@H+]2CCC[C@@H]3C[NH+](C)CC[C@H]32)cc1 ZINC000565117625 435277116 /nfs/dbraw/zinc/27/71/16/435277116.db2.gz VRRYFWRTFHAEDN-IEBWSBKVSA-N 2 1 300.446 3.168 10 30 DGEEMP C=CC[NH+](CC=C)[C@H](CN[C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21)C(C)C ZINC000566669346 435287709 /nfs/dbraw/zinc/28/77/09/435287709.db2.gz CELUHHXSCBWOBW-YSTOQKLRSA-N 2 1 319.537 3.147 10 30 DGEEMP C=CCN(CC=C)[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21)C(C)C ZINC000566669346 435287714 /nfs/dbraw/zinc/28/77/14/435287714.db2.gz CELUHHXSCBWOBW-YSTOQKLRSA-N 2 1 319.537 3.147 10 30 DGEEMP C=CCN(CC=C)[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21)C(C)C ZINC000566669346 435287722 /nfs/dbraw/zinc/28/77/22/435287722.db2.gz CELUHHXSCBWOBW-YSTOQKLRSA-N 2 1 319.537 3.147 10 30 DGEEMP C[C@H](C[NH2+][C@H](C)c1ccc(C#N)cc1F)C[NH+]1CCCCC1 ZINC000512659706 435364625 /nfs/dbraw/zinc/36/46/25/435364625.db2.gz JJFQCWVWVLFNTF-HUUCEWRRSA-N 2 1 303.425 3.470 10 30 DGEEMP C=CCOc1ccccc1C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000131819233 332036834 /nfs/dbraw/zinc/03/68/34/332036834.db2.gz FWFOODDIGQVBEX-AYHJJNSGSA-N 2 1 300.446 3.356 10 30 DGEEMP C[NH+]1CCC([NH2+]Cc2ccc(-c3ccccc3C#N)cc2)CC1 ZINC000091412138 193053158 /nfs/dbraw/zinc/05/31/58/193053158.db2.gz LZDRGQUDHRHMPO-UHFFFAOYSA-N 2 1 305.425 3.409 10 30 DGEEMP N#Cc1cc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)ccc1F ZINC000119893568 195057208 /nfs/dbraw/zinc/05/72/08/195057208.db2.gz SFEMQIKWJNZYSC-UHFFFAOYSA-N 2 1 301.409 3.005 10 30 DGEEMP C[C@@H](C#N)Oc1ccc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc1 ZINC000174599157 533162304 /nfs/dbraw/zinc/16/23/04/533162304.db2.gz BEGASRGUWNFSEB-MIGBEJBISA-N 2 1 313.445 3.082 10 30 DGEEMP C=CCOc1ccccc1C[NH+]1CC[C@H](C[N@@H+](C)CCC)C1 ZINC000093742176 400253747 /nfs/dbraw/zinc/25/37/47/400253747.db2.gz QNDPUSDPMDGKOP-QGZVFWFLSA-N 2 1 302.462 3.415 10 30 DGEEMP C=CCOc1ccccc1C[NH+]1CC[C@H](C[N@H+](C)CCC)C1 ZINC000093742176 400253753 /nfs/dbraw/zinc/25/37/53/400253753.db2.gz QNDPUSDPMDGKOP-QGZVFWFLSA-N 2 1 302.462 3.415 10 30 DGEEMP C=CCOc1ccccc1C[N@H+]1CC[C@H](C[NH+](C)CCC)C1 ZINC000093742176 400253756 /nfs/dbraw/zinc/25/37/56/400253756.db2.gz QNDPUSDPMDGKOP-QGZVFWFLSA-N 2 1 302.462 3.415 10 30 DGEEMP C=CCOc1ccccc1C[N@@H+]1CC[C@H](C[NH+](C)CCC)C1 ZINC000093742176 400253760 /nfs/dbraw/zinc/25/37/60/400253760.db2.gz QNDPUSDPMDGKOP-QGZVFWFLSA-N 2 1 302.462 3.415 10 30 DGEEMP C[C@H](C#N)Oc1ccc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc1 ZINC000174599169 228292541 /nfs/dbraw/zinc/29/25/41/228292541.db2.gz BEGASRGUWNFSEB-CCNLRDMRSA-N 2 1 313.445 3.082 10 30 DGEEMP Cc1cccc(N2CCC([NH2+]Cc3cccc(C#N)c3)CC2)[nH+]1 ZINC000116924106 431537888 /nfs/dbraw/zinc/53/78/88/431537888.db2.gz IHRIEOLAVTVRMV-UHFFFAOYSA-N 2 1 306.413 3.020 10 30 DGEEMP N#Cc1ccccc1OC[C@@H](c1ccccc1)[NH+]1CCC([NH3+])CC1 ZINC000085223901 431836649 /nfs/dbraw/zinc/83/66/49/431836649.db2.gz SQRNIOYQANFIKE-IBGZPJMESA-N 2 1 321.424 3.101 10 30 DGEEMP CCCCCCCCC[N@H+]1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC000192013333 432324265 /nfs/dbraw/zinc/32/42/65/432324265.db2.gz MSKWBTASEPMZPA-LJQANCHMSA-N 2 1 309.542 3.449 10 30 DGEEMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CCCC[C@H]2[C@H]2CCOC2)CC1 ZINC000375470973 433470911 /nfs/dbraw/zinc/47/09/11/433470911.db2.gz RLMKUAIXBSFTAX-YTQUADARSA-N 2 1 306.494 3.212 10 30 DGEEMP C=CCOc1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)cc1 ZINC000355209772 433538608 /nfs/dbraw/zinc/53/86/08/433538608.db2.gz KENZSAUTGJSPCP-IEBWSBKVSA-N 2 1 300.446 3.168 10 30 DGEEMP C=CCOc1ccc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)cc1 ZINC000355209772 433538614 /nfs/dbraw/zinc/53/86/14/433538614.db2.gz KENZSAUTGJSPCP-IEBWSBKVSA-N 2 1 300.446 3.168 10 30 DGEEMP C=CCOc1ccc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)cc1 ZINC000355209772 433538626 /nfs/dbraw/zinc/53/86/26/433538626.db2.gz KENZSAUTGJSPCP-IEBWSBKVSA-N 2 1 300.446 3.168 10 30 DGEEMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H](C)c1ccc(C#N)cc1F ZINC000358567097 434399959 /nfs/dbraw/zinc/39/99/59/434399959.db2.gz JFCNZTRDDVYUKH-OLZOCXBDSA-N 2 1 300.381 3.189 10 30 DGEEMP C=CCC[C@@H]([NH2+]C1CCC([NH+]2CCNCC2)CC1)c1ccco1 ZINC000423509673 434466936 /nfs/dbraw/zinc/46/69/36/434466936.db2.gz LTYWZGPKLYVJDO-DAWZGUTISA-N 2 1 317.477 3.093 10 30 DGEEMP C=C[C@@H]1OCC[C@H]1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000424173408 434643947 /nfs/dbraw/zinc/64/39/47/434643947.db2.gz PSRUXZGVPDANCQ-GTAWCEEGSA-N 2 1 314.473 3.220 10 30 DGEEMP C=C[C@@H]1OCC[C@H]1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000424173408 434643952 /nfs/dbraw/zinc/64/39/52/434643952.db2.gz PSRUXZGVPDANCQ-GTAWCEEGSA-N 2 1 314.473 3.220 10 30 DGEEMP C=C[C@@H]1OCC[C@H]1C[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000424300257 434686377 /nfs/dbraw/zinc/68/63/77/434686377.db2.gz XGAXVQYOKYLFJZ-LJHODMEESA-N 2 1 311.429 3.422 10 30 DGEEMP [NH2+]=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)NC1CCCCC1 ZINC000262379949 534834260 /nfs/dbraw/zinc/83/42/60/534834260.db2.gz XRJXPQYYFKZHKG-HNNXBMFYSA-N 2 1 320.506 3.122 10 30 DGEEMP CC#CCC[N@@H+](CCC)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000156636662 526306397 /nfs/dbraw/zinc/30/63/97/526306397.db2.gz MKNNFDJIPVHSGT-UHFFFAOYSA-N 2 1 314.477 3.188 10 30 DGEEMP CC#CCC[N@H+](CCC)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000156636662 526306401 /nfs/dbraw/zinc/30/64/01/526306401.db2.gz MKNNFDJIPVHSGT-UHFFFAOYSA-N 2 1 314.477 3.188 10 30 DGEEMP C=CCCOCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716727987 661228176 /nfs/dbraw/zinc/22/81/76/661228176.db2.gz NVQUKGDNSPBZQO-UFYCRDLUSA-N 2 1 314.473 3.222 10 30 DGEEMP CC(C)Oc1ccc(NC(=[NH2+])NCC[N@H+]2CCCC[C@@H]2C)cc1 ZINC000303910378 657578265 /nfs/dbraw/zinc/57/82/65/657578265.db2.gz YUWAJWKIIWVUNT-HNNXBMFYSA-N 2 1 318.465 3.075 10 30 DGEEMP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC000160003091 529761482 /nfs/dbraw/zinc/76/14/82/529761482.db2.gz HGCWISOXSICKQQ-SFHVURJKSA-N 2 1 311.404 3.273 10 30 DGEEMP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC000160003091 529761483 /nfs/dbraw/zinc/76/14/83/529761483.db2.gz HGCWISOXSICKQQ-SFHVURJKSA-N 2 1 311.404 3.273 10 30 DGEEMP C=CCOc1ccccc1C[NH+]1CC[C@@H](C[N@@H+](C)CCC)C1 ZINC000093742175 400252984 /nfs/dbraw/zinc/25/29/84/400252984.db2.gz QNDPUSDPMDGKOP-KRWDZBQOSA-N 2 1 302.462 3.415 10 30 DGEEMP C=CCOc1ccccc1C[NH+]1CC[C@@H](C[N@H+](C)CCC)C1 ZINC000093742175 400252986 /nfs/dbraw/zinc/25/29/86/400252986.db2.gz QNDPUSDPMDGKOP-KRWDZBQOSA-N 2 1 302.462 3.415 10 30 DGEEMP C=CCOc1ccccc1C[N@H+]1CC[C@@H](C[NH+](C)CCC)C1 ZINC000093742175 400252988 /nfs/dbraw/zinc/25/29/88/400252988.db2.gz QNDPUSDPMDGKOP-KRWDZBQOSA-N 2 1 302.462 3.415 10 30 DGEEMP C=CCOc1ccccc1C[N@@H+]1CC[C@@H](C[NH+](C)CCC)C1 ZINC000093742175 400252989 /nfs/dbraw/zinc/25/29/89/400252989.db2.gz QNDPUSDPMDGKOP-KRWDZBQOSA-N 2 1 302.462 3.415 10 30 DGEEMP CCc1nccn1[C@@H]1CCC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC000122928877 431848517 /nfs/dbraw/zinc/84/85/17/431848517.db2.gz MPZWGKUFYYTMEH-CYBMUJFWSA-N 2 1 300.431 3.216 10 30 DGEEMP N#Cc1ccc(C[NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)o1 ZINC000374600432 433232753 /nfs/dbraw/zinc/23/27/53/433232753.db2.gz BOKGTZRASSCKHP-PWIZWCRZSA-N 2 1 321.424 3.151 10 30 DGEEMP N#Cc1ccc(C[NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)o1 ZINC000374600432 433232764 /nfs/dbraw/zinc/23/27/64/433232764.db2.gz BOKGTZRASSCKHP-PWIZWCRZSA-N 2 1 321.424 3.151 10 30 DGEEMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CCCC[C@@H]2[C@@H]2CCOC2)CC1 ZINC000375470970 433470349 /nfs/dbraw/zinc/47/03/49/433470349.db2.gz RLMKUAIXBSFTAX-BHIYHBOVSA-N 2 1 306.494 3.212 10 30 DGEEMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](C)c1ccc(C#N)cc1F ZINC000358560555 434395967 /nfs/dbraw/zinc/39/59/67/434395967.db2.gz FCVHQPUUXMIZBQ-ZDUSSCGKSA-N 2 1 300.381 3.333 10 30 DGEEMP C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000424294318 434681544 /nfs/dbraw/zinc/68/15/44/434681544.db2.gz KNTBFNDLMYYKAI-MDNKFWRPSA-N 2 1 314.473 3.078 10 30 DGEEMP C=C[C@@H]1OCC[C@H]1[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000566216702 435284538 /nfs/dbraw/zinc/28/45/38/435284538.db2.gz CGPCEODXGLJENR-OTWHNJEPSA-N 2 1 312.457 3.117 10 30 DGEEMP C=C[C@@H]1OCC[C@H]1[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000566216702 435284543 /nfs/dbraw/zinc/28/45/43/435284543.db2.gz CGPCEODXGLJENR-OTWHNJEPSA-N 2 1 312.457 3.117 10 30 DGEEMP C=CCSCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000543755228 341057170 /nfs/dbraw/zinc/05/71/70/341057170.db2.gz SWBLRARBPAHRSP-FUHWJXTLSA-N 2 1 304.503 3.406 10 30 DGEEMP C=CCOc1ccc(C[N@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)cc1 ZINC000415038511 526865534 /nfs/dbraw/zinc/86/55/34/526865534.db2.gz HVXNTYLCAIMRLS-PKOBYXMFSA-N 2 1 300.446 3.215 10 30 DGEEMP CCCCCCCC[NH+]1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000158035266 528127842 /nfs/dbraw/zinc/12/78/42/528127842.db2.gz TYKASRPCFQQBGB-LJQANCHMSA-N 2 1 309.542 3.449 10 30 DGEEMP Cc1cccc(NC(=[NH2+])NC[C@@H](C)[N@@H+]2CCc3ccccc3C2)c1 ZINC000303886013 657696826 /nfs/dbraw/zinc/69/68/26/657696826.db2.gz NPTSNUVMASBHOW-MRXNPFEDSA-N 2 1 322.456 3.168 10 30 DGEEMP Cc1cccc(NC(=[NH2+])NC[C@@H](C)[N@H+]2CCc3ccccc3C2)c1 ZINC000303886013 657696829 /nfs/dbraw/zinc/69/68/29/657696829.db2.gz NPTSNUVMASBHOW-MRXNPFEDSA-N 2 1 322.456 3.168 10 30 DGEEMP Cc1nccn1-c1ccc(CN[C@H](C)c2ccc(C#N)s2)cn1 ZINC000134791263 432086207 /nfs/dbraw/zinc/08/62/07/432086207.db2.gz IRGPQIMEQRFJCB-GFCCVEGCSA-N 2 1 323.425 3.360 10 30 DGEEMP C[N@H+](Cc1ccccc1)CC1CC[NH+](Cc2ccc(C#N)o2)CC1 ZINC000093006787 193193170 /nfs/dbraw/zinc/19/31/70/193193170.db2.gz FLJXGOYGSZZANH-UHFFFAOYSA-N 2 1 323.440 3.495 10 30 DGEEMP C#CCOc1ccc([C@@H](C)[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc1 ZINC000126549462 275384912 /nfs/dbraw/zinc/38/49/12/275384912.db2.gz PSXYDIKIIQHMTL-BPIHKTFHSA-N 2 1 312.457 3.365 10 30 DGEEMP C#CCOc1ccc([C@@H](C)[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc1 ZINC000126549462 275384913 /nfs/dbraw/zinc/38/49/13/275384913.db2.gz PSXYDIKIIQHMTL-BPIHKTFHSA-N 2 1 312.457 3.365 10 30 DGEEMP Cn1cc(C[NH2+]C[C@H]2CCC[N@@H+](C)[C@@H]2c2ccccc2)cc1C#N ZINC000367490927 434549193 /nfs/dbraw/zinc/54/91/93/434549193.db2.gz YQEOATJOMBKYAI-UYAOXDASSA-N 2 1 322.456 3.069 10 30 DGEEMP C=CC[NH+](CC=C)[C@H](CN[C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21)C(C)C ZINC000566669348 435287501 /nfs/dbraw/zinc/28/75/01/435287501.db2.gz CELUHHXSCBWOBW-ZGXWSNOMSA-N 2 1 319.537 3.147 10 30 DGEEMP C=CCN(CC=C)[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21)C(C)C ZINC000566669348 435287505 /nfs/dbraw/zinc/28/75/05/435287505.db2.gz CELUHHXSCBWOBW-ZGXWSNOMSA-N 2 1 319.537 3.147 10 30 DGEEMP C=CCN(CC=C)[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21)C(C)C ZINC000566669348 435287511 /nfs/dbraw/zinc/28/75/11/435287511.db2.gz CELUHHXSCBWOBW-ZGXWSNOMSA-N 2 1 319.537 3.147 10 30 DGEEMP C[C@@H]([NH2+]C[C@H](C)C[NH+]1CCCCC1)c1ccc(C#N)cc1F ZINC000512659707 435364773 /nfs/dbraw/zinc/36/47/73/435364773.db2.gz JJFQCWVWVLFNTF-LSDHHAIUSA-N 2 1 303.425 3.470 10 30 DGEEMP C=C(C)C[NH+]1CCC([NH2+]C[C@H](C)c2ccc(OC)cc2)CC1 ZINC000182187772 526602545 /nfs/dbraw/zinc/60/25/45/526602545.db2.gz WIKFECBLPSEMMN-INIZCTEOSA-N 2 1 302.462 3.429 10 30 DGEEMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CCCC[C@H]2[C@@H]2CCOC2)CC1 ZINC000375470971 526604795 /nfs/dbraw/zinc/60/47/95/526604795.db2.gz RLMKUAIXBSFTAX-NZSAHSFTSA-N 2 1 306.494 3.212 10 30 DGEEMP C=CCOCCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000348047845 526760981 /nfs/dbraw/zinc/76/09/81/526760981.db2.gz GAWPVFHYIIRRGJ-MJGOQNOKSA-N 2 1 302.462 3.079 10 30 DGEEMP C=CCOCCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000348047845 526760984 /nfs/dbraw/zinc/76/09/84/526760984.db2.gz GAWPVFHYIIRRGJ-MJGOQNOKSA-N 2 1 302.462 3.079 10 30 DGEEMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(O[C@@H](C)C#N)cc2)[C@H](C)C1 ZINC000093638961 662357537 /nfs/dbraw/zinc/35/75/37/662357537.db2.gz NRMLCKCUYBSXSU-GJYPPUQNSA-N 2 1 315.461 3.140 10 30 DGEEMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(O[C@@H](C)C#N)cc2)[C@H](C)C1 ZINC000093638961 662357538 /nfs/dbraw/zinc/35/75/38/662357538.db2.gz NRMLCKCUYBSXSU-GJYPPUQNSA-N 2 1 315.461 3.140 10 30 DGEEMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(O[C@@H](C)C#N)cc2)[C@H](C)C1 ZINC000093638961 662357540 /nfs/dbraw/zinc/35/75/40/662357540.db2.gz NRMLCKCUYBSXSU-GJYPPUQNSA-N 2 1 315.461 3.140 10 30 DGEEMP C=CCOc1ccc(C[NH2+]CCC[NH+]2CCCCC2)cc1OC ZINC000078482812 1196733282 /nfs/dbraw/zinc/73/32/82/1196733282.db2.gz VTTAVQKXJSOAIW-UHFFFAOYSA-N 2 1 318.461 3.226 10 30 DGEEMP C[C@H](c1cccc(C#N)c1)[N@H+]1CC[C@H](CNc2ccccn2)C1 ZINC000189896010 432102319 /nfs/dbraw/zinc/10/23/19/432102319.db2.gz SIEVJKZASFFMHE-NVXWUHKLSA-N 2 1 306.413 3.448 10 30 DGEEMP C=CCOc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)CCC)C2)cc1 ZINC000093741910 400253120 /nfs/dbraw/zinc/25/31/20/400253120.db2.gz HBJSVMKJRAXJQV-GOSISDBHSA-N 2 1 302.462 3.415 10 30 DGEEMP C=CCOc1ccc(C[NH+]2CC[C@H](C[N@H+](C)CCC)C2)cc1 ZINC000093741910 400253127 /nfs/dbraw/zinc/25/31/27/400253127.db2.gz HBJSVMKJRAXJQV-GOSISDBHSA-N 2 1 302.462 3.415 10 30 DGEEMP C=CCOc1ccc(C[N@H+]2CC[C@H](C[NH+](C)CCC)C2)cc1 ZINC000093741910 400253130 /nfs/dbraw/zinc/25/31/30/400253130.db2.gz HBJSVMKJRAXJQV-GOSISDBHSA-N 2 1 302.462 3.415 10 30 DGEEMP C=CCOc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)CCC)C2)cc1 ZINC000093741910 400253134 /nfs/dbraw/zinc/25/31/34/400253134.db2.gz HBJSVMKJRAXJQV-GOSISDBHSA-N 2 1 302.462 3.415 10 30 DGEEMP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2cc(C#N)cs2)C1 ZINC000122944935 431849678 /nfs/dbraw/zinc/84/96/78/431849678.db2.gz KUACCLIFGFDCPB-CQSZACIVSA-N 2 1 300.431 3.216 10 30 DGEEMP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2cc(C#N)cs2)C1 ZINC000122944935 431849681 /nfs/dbraw/zinc/84/96/81/431849681.db2.gz KUACCLIFGFDCPB-CQSZACIVSA-N 2 1 300.431 3.216 10 30 DGEEMP C[C@H]1C[C@@H]([NH+](C)Cc2cccc(OCCCC#N)c2)CC[N@@H+]1C ZINC000093644152 431915529 /nfs/dbraw/zinc/91/55/29/431915529.db2.gz DDVRKJJYBZJMKZ-WMZOPIPTSA-N 2 1 315.461 3.284 10 30 DGEEMP C[C@H]1C[C@@H]([NH+](C)Cc2cccc(OCCCC#N)c2)CC[N@H+]1C ZINC000093644152 431915532 /nfs/dbraw/zinc/91/55/32/431915532.db2.gz DDVRKJJYBZJMKZ-WMZOPIPTSA-N 2 1 315.461 3.284 10 30 DGEEMP C[C@H]1C[C@@H]([N@H+](C)Cc2cccc(OCCCC#N)c2)CC[NH+]1C ZINC000093644152 431915534 /nfs/dbraw/zinc/91/55/34/431915534.db2.gz DDVRKJJYBZJMKZ-WMZOPIPTSA-N 2 1 315.461 3.284 10 30 DGEEMP C[C@H]1C[C@@H]([N@@H+](C)Cc2cccc(OCCCC#N)c2)CC[NH+]1C ZINC000093644152 431915537 /nfs/dbraw/zinc/91/55/37/431915537.db2.gz DDVRKJJYBZJMKZ-WMZOPIPTSA-N 2 1 315.461 3.284 10 30 DGEEMP C=CCOc1ccccc1C[N@H+]1CC[C@@H](C[NH+](CC)CC)C1 ZINC000093693267 431917956 /nfs/dbraw/zinc/91/79/56/431917956.db2.gz LHBLRIAAAAFYNV-KRWDZBQOSA-N 2 1 302.462 3.415 10 30 DGEEMP C=CCOc1ccccc1C[N@@H+]1CC[C@@H](C[NH+](CC)CC)C1 ZINC000093693267 431917958 /nfs/dbraw/zinc/91/79/58/431917958.db2.gz LHBLRIAAAAFYNV-KRWDZBQOSA-N 2 1 302.462 3.415 10 30 DGEEMP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)c2ccc(C#N)cc2F)C1 ZINC000358596873 434398584 /nfs/dbraw/zinc/39/85/84/434398584.db2.gz WIUQAANHGHDVBI-GOEBONIOSA-N 2 1 303.425 3.468 10 30 DGEEMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H](C)c2ccc(C#N)cc2F)C1 ZINC000358596873 434398592 /nfs/dbraw/zinc/39/85/92/434398592.db2.gz WIUQAANHGHDVBI-GOEBONIOSA-N 2 1 303.425 3.468 10 30 DGEEMP C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000424294315 434681366 /nfs/dbraw/zinc/68/13/66/434681366.db2.gz KNTBFNDLMYYKAI-FFGOWVMKSA-N 2 1 314.473 3.078 10 30 DGEEMP C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000424295477 434683997 /nfs/dbraw/zinc/68/39/97/434683997.db2.gz MVBMSBCZZRRHSF-FFGOWVMKSA-N 2 1 314.473 3.078 10 30 DGEEMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CCC[C@@H]([C@@H]3CCOC3)C2)CC1 ZINC000464057513 434975467 /nfs/dbraw/zinc/97/54/67/434975467.db2.gz NWKNJKAXGHREBF-ZHALLVOQSA-N 2 1 306.494 3.212 10 30 DGEEMP C=C(C)COCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000539060536 435536582 /nfs/dbraw/zinc/53/65/82/435536582.db2.gz UBGVBGKIFMHMBK-HKUYNNGSSA-N 2 1 302.462 3.079 10 30 DGEEMP C=C(C)COCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000539060536 435536587 /nfs/dbraw/zinc/53/65/87/435536587.db2.gz UBGVBGKIFMHMBK-HKUYNNGSSA-N 2 1 302.462 3.079 10 30 DGEEMP C=CCOc1ccccc1C[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000539850473 435575591 /nfs/dbraw/zinc/57/55/91/435575591.db2.gz OHMMPURTCRIHTL-GOSISDBHSA-N 2 1 314.473 3.415 10 30 DGEEMP C=CCOc1ccccc1C[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000539850473 435575596 /nfs/dbraw/zinc/57/55/96/435575596.db2.gz OHMMPURTCRIHTL-GOSISDBHSA-N 2 1 314.473 3.415 10 30 DGEEMP C=CCOc1ccccc1C[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000539850473 435575600 /nfs/dbraw/zinc/57/56/00/435575600.db2.gz OHMMPURTCRIHTL-GOSISDBHSA-N 2 1 314.473 3.415 10 30 DGEEMP C=CCOc1ccccc1C[N@@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000539850473 435575605 /nfs/dbraw/zinc/57/56/05/435575605.db2.gz OHMMPURTCRIHTL-GOSISDBHSA-N 2 1 314.473 3.415 10 30 DGEEMP C=CCSCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000543755223 341057130 /nfs/dbraw/zinc/05/71/30/341057130.db2.gz SWBLRARBPAHRSP-AEFFLSMTSA-N 2 1 304.503 3.406 10 30 DGEEMP CC[N@H+]1CC[C@@H](N(C)CC#Cc2ccc(Cl)cc2)[C@H](C)C1 ZINC000079461980 341259372 /nfs/dbraw/zinc/25/93/72/341259372.db2.gz FFTXYXMPGHLVSP-CRAIPNDOSA-N 2 1 304.865 3.354 10 30 DGEEMP C=CCOc1cccc(C[N@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)c1 ZINC000415038699 526898351 /nfs/dbraw/zinc/89/83/51/526898351.db2.gz IFRZGOJGVADADF-PKOBYXMFSA-N 2 1 300.446 3.215 10 30 DGEEMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=[NH2+])NC1CCCCC1 ZINC000104162921 627411280 /nfs/dbraw/zinc/41/12/80/627411280.db2.gz GDHCBXZCHLWFBM-UHFFFAOYSA-N 2 1 316.493 3.264 10 30 DGEEMP [NH2+]=C(NC[C@H](c1cccs1)[NH+]1CCCC1)NC1CCCCC1 ZINC000262379952 655849216 /nfs/dbraw/zinc/84/92/16/655849216.db2.gz XRJXPQYYFKZHKG-OAHLLOKOSA-N 2 1 320.506 3.122 10 30 DGEEMP C=CC[NH+](CC=C)[C@@H](CNC(=[NH2+])Nc1cccc(C)c1)C(C)C ZINC000303881707 657571938 /nfs/dbraw/zinc/57/19/38/657571938.db2.gz HUCWPHTVMWAURD-SFHVURJKSA-N 2 1 314.477 3.420 10 30 DGEEMP Cc1cccc(NC(=[NH2+])NC[C@H](C)[N@H+](C)Cc2ccccc2)c1 ZINC000304757409 657648564 /nfs/dbraw/zinc/64/85/64/657648564.db2.gz OUXMMYSKOYSSLS-INIZCTEOSA-N 2 1 310.445 3.242 10 30 DGEEMP Cc1cccc(NC(=[NH2+])NC[C@H](C)[N@@H+](C)Cc2ccccc2)c1 ZINC000304757409 657648568 /nfs/dbraw/zinc/64/85/68/657648568.db2.gz OUXMMYSKOYSSLS-INIZCTEOSA-N 2 1 310.445 3.242 10 30 DGEEMP C[C@@H](c1cccc(C#N)c1)[N@H+]1CC[C@H](CNc2ccccn2)C1 ZINC000189895997 432103245 /nfs/dbraw/zinc/10/32/45/432103245.db2.gz SIEVJKZASFFMHE-DOTOQJQBSA-N 2 1 306.413 3.448 10 30 DGEEMP CN(Cc1cccnc1)C[C@H]1CC[N@@H+](CCCC(C)(C)C#N)C1 ZINC000195299659 432617064 /nfs/dbraw/zinc/61/70/64/432617064.db2.gz MTKYCAVGWLDCJL-GOSISDBHSA-N 2 1 314.477 3.165 10 30 DGEEMP C[N@@H+](Cc1cccnc1)C[C@H]1CC[NH+](CCCC(C)(C)C#N)C1 ZINC000195299659 432617065 /nfs/dbraw/zinc/61/70/65/432617065.db2.gz MTKYCAVGWLDCJL-GOSISDBHSA-N 2 1 314.477 3.165 10 30 DGEEMP C[N@H+](Cc1cccnc1)C[C@H]1CC[NH+](CCCC(C)(C)C#N)C1 ZINC000195299659 432617067 /nfs/dbraw/zinc/61/70/67/432617067.db2.gz MTKYCAVGWLDCJL-GOSISDBHSA-N 2 1 314.477 3.165 10 30 DGEEMP C[NH+](Cc1cccnc1)C[C@H]1CC[N@H+](CCCC(C)(C)C#N)C1 ZINC000195299659 432617069 /nfs/dbraw/zinc/61/70/69/432617069.db2.gz MTKYCAVGWLDCJL-GOSISDBHSA-N 2 1 314.477 3.165 10 30 DGEEMP C[NH+](Cc1cccnc1)C[C@H]1CC[N@@H+](CCCC(C)(C)C#N)C1 ZINC000195299659 432617072 /nfs/dbraw/zinc/61/70/72/432617072.db2.gz MTKYCAVGWLDCJL-GOSISDBHSA-N 2 1 314.477 3.165 10 30 DGEEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CC#Cc1ccc(Cl)cc1 ZINC000177372725 432617404 /nfs/dbraw/zinc/61/74/04/432617404.db2.gz ULFJKPDFUMEDCL-SFHVURJKSA-N 2 1 313.832 3.361 10 30 DGEEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CC#Cc1ccc(Cl)cc1 ZINC000177372725 432617409 /nfs/dbraw/zinc/61/74/09/432617409.db2.gz ULFJKPDFUMEDCL-SFHVURJKSA-N 2 1 313.832 3.361 10 30 DGEEMP C=CCc1cc(C[NH2+]CC2([NH3+])CCCCCC2)cc(OC)c1O ZINC000414861625 433891607 /nfs/dbraw/zinc/89/16/07/433891607.db2.gz SITAAQGQVPXYLE-UHFFFAOYSA-N 2 1 318.461 3.271 10 30 DGEEMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](C)c1ccc(C#N)cc1F ZINC000358567096 434399537 /nfs/dbraw/zinc/39/95/37/434399537.db2.gz JFCNZTRDDVYUKH-CHWSQXEVSA-N 2 1 300.381 3.189 10 30 DGEEMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H](C)c1ccc(C#N)cc1F ZINC000358567100 434400324 /nfs/dbraw/zinc/40/03/24/434400324.db2.gz JFCNZTRDDVYUKH-STQMWFEESA-N 2 1 300.381 3.189 10 30 DGEEMP C=CCOc1ccc(C[N@@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)cc1 ZINC000424369833 434713720 /nfs/dbraw/zinc/71/37/20/434713720.db2.gz BQTQUECUTASPRR-MRXNPFEDSA-N 2 1 300.446 3.215 10 30 DGEEMP C=CCOc1ccccc1C[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000539850481 435576818 /nfs/dbraw/zinc/57/68/18/435576818.db2.gz OHMMPURTCRIHTL-SFHVURJKSA-N 2 1 314.473 3.415 10 30 DGEEMP C=CCOc1ccccc1C[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000539850481 435576820 /nfs/dbraw/zinc/57/68/20/435576820.db2.gz OHMMPURTCRIHTL-SFHVURJKSA-N 2 1 314.473 3.415 10 30 DGEEMP C=CCOc1ccccc1C[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000539850481 435576822 /nfs/dbraw/zinc/57/68/22/435576822.db2.gz OHMMPURTCRIHTL-SFHVURJKSA-N 2 1 314.473 3.415 10 30 DGEEMP C=CCOc1ccccc1C[N@@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000539850481 435576825 /nfs/dbraw/zinc/57/68/25/435576825.db2.gz OHMMPURTCRIHTL-SFHVURJKSA-N 2 1 314.473 3.415 10 30 DGEEMP CC[N@H+]1CC[C@H](N(C)CC#Cc2ccc(Cl)cc2)[C@H](C)C1 ZINC000079461977 341259443 /nfs/dbraw/zinc/25/94/43/341259443.db2.gz FFTXYXMPGHLVSP-QAPCUYQASA-N 2 1 304.865 3.354 10 30 DGEEMP C=CCOCCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000348047842 526761591 /nfs/dbraw/zinc/76/15/91/526761591.db2.gz GAWPVFHYIIRRGJ-HKUYNNGSSA-N 2 1 302.462 3.079 10 30 DGEEMP C=CCOCCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000348047842 526761595 /nfs/dbraw/zinc/76/15/95/526761595.db2.gz GAWPVFHYIIRRGJ-HKUYNNGSSA-N 2 1 302.462 3.079 10 30 DGEEMP Cc1ccc(NC(=[NH2+])NCC[N@H+](C)C2CCCCC2)cc1C ZINC000303911250 657578817 /nfs/dbraw/zinc/57/88/17/657578817.db2.gz ZJHGDABTSBSAPQ-UHFFFAOYSA-N 2 1 302.466 3.295 10 30 DGEEMP C#CCCOc1ccc(C[NH+](C)[C@H]2CC[N@H+](CC)C[C@@H]2C)cc1 ZINC000245695102 662238366 /nfs/dbraw/zinc/23/83/66/662238366.db2.gz CEYMSMKWTPPUSF-PXNSSMCTSA-N 2 1 314.473 3.251 10 30 DGEEMP C#CCCOc1ccc(C[N@@H+](C)[C@H]2CC[NH+](CC)C[C@@H]2C)cc1 ZINC000245695102 662238369 /nfs/dbraw/zinc/23/83/69/662238369.db2.gz CEYMSMKWTPPUSF-PXNSSMCTSA-N 2 1 314.473 3.251 10 30 DGEEMP C#CCCOc1ccc(C[N@H+](C)[C@H]2CC[NH+](CC)C[C@@H]2C)cc1 ZINC000245695102 662238371 /nfs/dbraw/zinc/23/83/71/662238371.db2.gz CEYMSMKWTPPUSF-PXNSSMCTSA-N 2 1 314.473 3.251 10 30 DGEEMP C=CCC[C@@H](CC)[NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000120631442 1200163087 /nfs/dbraw/zinc/16/30/87/1200163087.db2.gz AEZSDHJSZTTWRD-WOJBJXKFSA-N 2 1 316.489 3.478 10 30 DGEEMP Cc1cccc(NC[C@@H]2CC[N@@H+](Cc3cc(C#N)cs3)C2)[nH+]1 ZINC000092813381 185343258 /nfs/dbraw/zinc/34/32/58/185343258.db2.gz BHTXCKGQCNTSFI-AWEZNQCLSA-N 2 1 312.442 3.257 10 30 DGEEMP C=CCOc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)CCC)C2)cc1 ZINC000093741909 400253904 /nfs/dbraw/zinc/25/39/04/400253904.db2.gz HBJSVMKJRAXJQV-SFHVURJKSA-N 2 1 302.462 3.415 10 30 DGEEMP C=CCOc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)CCC)C2)cc1 ZINC000093741909 400253907 /nfs/dbraw/zinc/25/39/07/400253907.db2.gz HBJSVMKJRAXJQV-SFHVURJKSA-N 2 1 302.462 3.415 10 30 DGEEMP C=CCOc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)CCC)C2)cc1 ZINC000093741909 400253913 /nfs/dbraw/zinc/25/39/13/400253913.db2.gz HBJSVMKJRAXJQV-SFHVURJKSA-N 2 1 302.462 3.415 10 30 DGEEMP C=CCOc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)CCC)C2)cc1 ZINC000093741909 400253918 /nfs/dbraw/zinc/25/39/18/400253918.db2.gz HBJSVMKJRAXJQV-SFHVURJKSA-N 2 1 302.462 3.415 10 30 DGEEMP N#Cc1ccc(C[NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)o1 ZINC000374600428 269962221 /nfs/dbraw/zinc/96/22/21/269962221.db2.gz BOKGTZRASSCKHP-LSTHTHJFSA-N 2 1 321.424 3.151 10 30 DGEEMP N#Cc1ccc(C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)o1 ZINC000374600428 269962222 /nfs/dbraw/zinc/96/22/22/269962222.db2.gz BOKGTZRASSCKHP-LSTHTHJFSA-N 2 1 321.424 3.151 10 30 DGEEMP C=C(C)C[N@@H+](CCC)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000114197950 431374166 /nfs/dbraw/zinc/37/41/66/431374166.db2.gz FKYKUGQEGVYNRW-UHFFFAOYSA-N 2 1 302.466 3.350 10 30 DGEEMP C=C(C)C[N@H+](CCC)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000114197950 431374173 /nfs/dbraw/zinc/37/41/73/431374173.db2.gz FKYKUGQEGVYNRW-UHFFFAOYSA-N 2 1 302.466 3.350 10 30 DGEEMP N#Cc1ccccc1OC[C@H](c1ccccc1)[NH+]1CCC([NH3+])CC1 ZINC000085223898 431837350 /nfs/dbraw/zinc/83/73/50/431837350.db2.gz SQRNIOYQANFIKE-LJQANCHMSA-N 2 1 321.424 3.101 10 30 DGEEMP C=CCC[C@H](CO)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000453336260 433099782 /nfs/dbraw/zinc/09/97/82/433099782.db2.gz AZFCGMSFJGRCAT-YSTOQKLRSA-N 2 1 314.473 3.099 10 30 DGEEMP C#CCOc1ccc([C@H](C)[NH2+]C2CC([NH+]3CCCCC3)C2)cc1 ZINC000373523299 433153723 /nfs/dbraw/zinc/15/37/23/433153723.db2.gz OYTNOKSXBWPEEH-IVMQYODDSA-N 2 1 312.457 3.366 10 30 DGEEMP C[C@H](C[NH2+][C@@H](C)c1ccc(C#N)cc1F)C[NH+]1CCCCC1 ZINC000512659704 435366105 /nfs/dbraw/zinc/36/61/05/435366105.db2.gz JJFQCWVWVLFNTF-CABCVRRESA-N 2 1 303.425 3.470 10 30 DGEEMP C[C@H]1CCCC[N@H+]1CCNC(=[NH2+])Nc1cccc2c1CCCC2 ZINC000304641807 657640858 /nfs/dbraw/zinc/64/08/58/657640858.db2.gz CRIHSNBQKFZZLR-HNNXBMFYSA-N 2 1 314.477 3.166 10 30 DGEEMP CCc1cccc(NC(=[NH2+])NCC[N@@H+](C)C2CCCCC2)c1 ZINC000303907680 657699024 /nfs/dbraw/zinc/69/90/24/657699024.db2.gz XAMYBTYWVXCYSG-UHFFFAOYSA-N 2 1 302.466 3.240 10 30 DGEEMP C=CCOc1ccc(C[NH+](C)[C@H]2CC[N@H+](CC)C[C@H]2C)cc1 ZINC000093638621 431916078 /nfs/dbraw/zinc/91/60/78/431916078.db2.gz ZQIUSMJIZLVOLN-APWZRJJASA-N 2 1 302.462 3.414 10 30 DGEEMP C=CCOc1ccc(C[N@@H+](C)[C@H]2CC[NH+](CC)C[C@H]2C)cc1 ZINC000093638621 431916080 /nfs/dbraw/zinc/91/60/80/431916080.db2.gz ZQIUSMJIZLVOLN-APWZRJJASA-N 2 1 302.462 3.414 10 30 DGEEMP C=CCOc1ccc(C[N@H+](C)[C@H]2CC[NH+](CC)C[C@H]2C)cc1 ZINC000093638621 431916081 /nfs/dbraw/zinc/91/60/81/431916081.db2.gz ZQIUSMJIZLVOLN-APWZRJJASA-N 2 1 302.462 3.414 10 30 DGEEMP C=CCOc1ccc(C[N@H+]2CC[C@H](C[NH+](CC)CC)C2)cc1 ZINC000093692751 431917834 /nfs/dbraw/zinc/91/78/34/431917834.db2.gz GOHQERGITXUPRH-GOSISDBHSA-N 2 1 302.462 3.415 10 30 DGEEMP C=CCOc1ccc(C[N@@H+]2CC[C@H](C[NH+](CC)CC)C2)cc1 ZINC000093692751 431917836 /nfs/dbraw/zinc/91/78/36/431917836.db2.gz GOHQERGITXUPRH-GOSISDBHSA-N 2 1 302.462 3.415 10 30 DGEEMP CCCCCCCC[NH+]1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000158035116 432635951 /nfs/dbraw/zinc/63/59/51/432635951.db2.gz TYKASRPCFQQBGB-IBGZPJMESA-N 2 1 309.542 3.449 10 30 DGEEMP N#Cc1ccc(C[NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)o1 ZINC000374600430 433233243 /nfs/dbraw/zinc/23/32/43/433233243.db2.gz BOKGTZRASSCKHP-NSISKUIASA-N 2 1 321.424 3.151 10 30 DGEEMP N#Cc1ccc(C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)o1 ZINC000374600430 433233255 /nfs/dbraw/zinc/23/32/55/433233255.db2.gz BOKGTZRASSCKHP-NSISKUIASA-N 2 1 321.424 3.151 10 30 DGEEMP C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CC[C@@H](C#N)C2)[C@@H]1c1cccs1 ZINC000442791157 434771528 /nfs/dbraw/zinc/77/15/28/434771528.db2.gz NEMNLSZDAZZJOG-KCYZZUKISA-N 2 1 303.475 3.413 10 30 DGEEMP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CC[C@@H](C#N)C2)[C@@H]1c1cccs1 ZINC000442791157 434771531 /nfs/dbraw/zinc/77/15/31/434771531.db2.gz NEMNLSZDAZZJOG-KCYZZUKISA-N 2 1 303.475 3.413 10 30 DGEEMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CCC[C@H]([C@@H]3CCOC3)C2)CC1 ZINC000464057511 434975787 /nfs/dbraw/zinc/97/57/87/434975787.db2.gz NWKNJKAXGHREBF-YQVWRLOYSA-N 2 1 306.494 3.212 10 30 DGEEMP C=CC[NH+](CC=C)[C@H](CN[C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21)C(C)C ZINC000566669345 435288101 /nfs/dbraw/zinc/28/81/01/435288101.db2.gz CELUHHXSCBWOBW-UAFMIMERSA-N 2 1 319.537 3.147 10 30 DGEEMP C=CCN(CC=C)[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21)C(C)C ZINC000566669345 435288105 /nfs/dbraw/zinc/28/81/05/435288105.db2.gz CELUHHXSCBWOBW-UAFMIMERSA-N 2 1 319.537 3.147 10 30 DGEEMP C=CCN(CC=C)[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21)C(C)C ZINC000566669345 435288109 /nfs/dbraw/zinc/28/81/09/435288109.db2.gz CELUHHXSCBWOBW-UAFMIMERSA-N 2 1 319.537 3.147 10 30 DGEEMP Cc1cccc(NC(=[NH2+])NCCCC[N@@H+]2CCC[C@H](C)C2)c1 ZINC000104169895 617962808 /nfs/dbraw/zinc/96/28/08/617962808.db2.gz UGFGYQSLHQOPSE-INIZCTEOSA-N 2 1 302.466 3.234 10 30 DGEEMP C=C(C)COCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716733948 661227895 /nfs/dbraw/zinc/22/78/95/661227895.db2.gz QZDVHCIDJHNLHT-UFYCRDLUSA-N 2 1 314.473 3.222 10 30 DGEEMP C[C@H](CCNC(=[NH2+])NC1CCCCC1)[N@@H+](C)Cc1ccccc1 ZINC000304490561 657635807 /nfs/dbraw/zinc/63/58/07/657635807.db2.gz LNWYLAKZXOCUFK-MRXNPFEDSA-N 2 1 316.493 3.134 10 30 DGEEMP C#CCCOc1ccc(C[NH+](C)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000093644506 431915803 /nfs/dbraw/zinc/91/58/03/431915803.db2.gz DHABWNVALKDXFQ-WMZOPIPTSA-N 2 1 300.446 3.003 10 30 DGEEMP C#CCCOc1ccc(C[NH+](C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000093644506 431915804 /nfs/dbraw/zinc/91/58/04/431915804.db2.gz DHABWNVALKDXFQ-WMZOPIPTSA-N 2 1 300.446 3.003 10 30 DGEEMP C#CCCOc1ccc(C[N@@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)cc1 ZINC000093644506 431915806 /nfs/dbraw/zinc/91/58/06/431915806.db2.gz DHABWNVALKDXFQ-WMZOPIPTSA-N 2 1 300.446 3.003 10 30 DGEEMP C#CCCOc1ccc(C[N@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)cc1 ZINC000093644506 431915807 /nfs/dbraw/zinc/91/58/07/431915807.db2.gz DHABWNVALKDXFQ-WMZOPIPTSA-N 2 1 300.446 3.003 10 30 DGEEMP Cc1cccc(NC[C@@H]2CC[N@@H+](Cc3ccc(C#N)c(F)c3)C2)[nH+]1 ZINC000192034530 432325508 /nfs/dbraw/zinc/32/55/08/432325508.db2.gz NMMFMQLLXRPXRP-INIZCTEOSA-N 2 1 324.403 3.335 10 30 DGEEMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CCC[C@@H]([C@H]3CCOC3)C2)CC1 ZINC000464057515 434975962 /nfs/dbraw/zinc/97/59/62/434975962.db2.gz NWKNJKAXGHREBF-ZIFCJYIRSA-N 2 1 306.494 3.212 10 30 DGEEMP C[C@@H]1CCCC[N@H+]1CCNC(=[NH2+])Nc1cccc2c1CCCC2 ZINC000304641809 657640931 /nfs/dbraw/zinc/64/09/31/657640931.db2.gz CRIHSNBQKFZZLR-OAHLLOKOSA-N 2 1 314.477 3.166 10 30 DGEEMP CCc1nccn1[C@H]1CCC[N@@H+](Cc2ccc(OC)c(C#N)c2)C1 ZINC000135056455 432095832 /nfs/dbraw/zinc/09/58/32/432095832.db2.gz XCRQWPONUQHDKQ-KRWDZBQOSA-N 2 1 324.428 3.163 10 30 DGEEMP C=CCOc1ccccc1C[NH+](C)[C@H]1CC[N@@H+](CC)C[C@H]1C ZINC000093639072 431915038 /nfs/dbraw/zinc/91/50/38/431915038.db2.gz NSMAKJGEQAXRIC-AEFFLSMTSA-N 2 1 302.462 3.414 10 30 DGEEMP C=CCOc1ccccc1C[NH+](C)[C@H]1CC[N@H+](CC)C[C@H]1C ZINC000093639072 431915040 /nfs/dbraw/zinc/91/50/40/431915040.db2.gz NSMAKJGEQAXRIC-AEFFLSMTSA-N 2 1 302.462 3.414 10 30 DGEEMP C=CCOc1ccccc1C[N@@H+](C)[C@H]1CC[NH+](CC)C[C@H]1C ZINC000093639072 431915041 /nfs/dbraw/zinc/91/50/41/431915041.db2.gz NSMAKJGEQAXRIC-AEFFLSMTSA-N 2 1 302.462 3.414 10 30 DGEEMP C=CCOc1ccccc1C[N@H+](C)[C@H]1CC[NH+](CC)C[C@H]1C ZINC000093639072 431915043 /nfs/dbraw/zinc/91/50/43/431915043.db2.gz NSMAKJGEQAXRIC-AEFFLSMTSA-N 2 1 302.462 3.414 10 30 DGEEMP N#Cc1ccc(F)c(C[NH+]2CCC(C[NH+]3CCCC3)CC2)c1 ZINC000047969531 431917601 /nfs/dbraw/zinc/91/76/01/431917601.db2.gz NKKKJSHTZRLBET-UHFFFAOYSA-N 2 1 301.409 3.005 10 30 DGEEMP CCCCCCCCC[N@H+]1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC000192013326 432323695 /nfs/dbraw/zinc/32/36/95/432323695.db2.gz MSKWBTASEPMZPA-IBGZPJMESA-N 2 1 309.542 3.449 10 30 DGEEMP C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000424295482 434684143 /nfs/dbraw/zinc/68/41/43/434684143.db2.gz MVBMSBCZZRRHSF-LEAZDLGRSA-N 2 1 314.473 3.078 10 30 DGEEMP C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000424300256 434685163 /nfs/dbraw/zinc/68/51/63/434685163.db2.gz XGAXVQYOKYLFJZ-FNHZYXHNSA-N 2 1 311.429 3.422 10 30 DGEEMP C=CCOc1ccc(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](C)C3)cc1 ZINC000354174283 526870863 /nfs/dbraw/zinc/87/08/63/526870863.db2.gz BGEULSYXMUUODM-IBGZPJMESA-N 2 1 300.446 3.169 10 30 DGEEMP C=CCOc1ccc(C[NH+]2CC[C@@]3(C2)CCC[N@H+](C)C3)cc1 ZINC000354174283 526870870 /nfs/dbraw/zinc/87/08/70/526870870.db2.gz BGEULSYXMUUODM-IBGZPJMESA-N 2 1 300.446 3.169 10 30 DGEEMP C=CCOc1ccc(C[N@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)cc1 ZINC000354174283 526870874 /nfs/dbraw/zinc/87/08/74/526870874.db2.gz BGEULSYXMUUODM-IBGZPJMESA-N 2 1 300.446 3.169 10 30 DGEEMP C=CCOc1ccc(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)cc1 ZINC000354174283 526870880 /nfs/dbraw/zinc/87/08/80/526870880.db2.gz BGEULSYXMUUODM-IBGZPJMESA-N 2 1 300.446 3.169 10 30 DGEEMP CC[N@@H+](C)Cc1cccc(CNC(=[NH2+])Nc2cccc(C)c2)c1 ZINC000104178389 617962781 /nfs/dbraw/zinc/96/27/81/617962781.db2.gz MQLRJBGZBQUVBH-UHFFFAOYSA-N 2 1 310.445 3.374 10 30 DGEEMP C=C(C)C[NH+]1CCC([NH2+]Cc2cc(C)c(OC)c(C)c2)CC1 ZINC000106244921 631218421 /nfs/dbraw/zinc/21/84/21/631218421.db2.gz LHJCHCWQJLXADX-UHFFFAOYSA-N 2 1 302.462 3.442 10 30 DGEEMP Cc1cccc(NC(=[NH2+])NC[C@H]2CCC[N@H+](CC(C)C)C2)c1 ZINC000157400029 659056996 /nfs/dbraw/zinc/05/69/96/659056996.db2.gz NIBIEOJSJOPCOD-MRXNPFEDSA-N 2 1 302.466 3.090 10 30 DGEEMP C#CCCOc1ccc(C[NH+](C)[C@@H]2CC[N@H+](CC)C[C@@H]2C)cc1 ZINC000245695097 662238393 /nfs/dbraw/zinc/23/83/93/662238393.db2.gz CEYMSMKWTPPUSF-FXAWDEMLSA-N 2 1 314.473 3.251 10 30 DGEEMP C#CCCOc1ccc(C[N@@H+](C)[C@@H]2CC[NH+](CC)C[C@@H]2C)cc1 ZINC000245695097 662238397 /nfs/dbraw/zinc/23/83/97/662238397.db2.gz CEYMSMKWTPPUSF-FXAWDEMLSA-N 2 1 314.473 3.251 10 30 DGEEMP C#CCCOc1ccc(C[N@H+](C)[C@@H]2CC[NH+](CC)C[C@@H]2C)cc1 ZINC000245695097 662238399 /nfs/dbraw/zinc/23/83/99/662238399.db2.gz CEYMSMKWTPPUSF-FXAWDEMLSA-N 2 1 314.473 3.251 10 30 DGEEMP C=CC[NH+](CC=C)[C@H](CN[C@@H]1CC[N@@H+](C)C(C)(C)C1)C(C)C ZINC000623355418 401497909 /nfs/dbraw/zinc/49/79/09/401497909.db2.gz MMTKJLBBERYUJD-QZTJIDSGSA-N 2 1 307.526 3.147 10 30 DGEEMP C=CCN(CC=C)[C@H](C[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)C(C)C ZINC000623355418 401497912 /nfs/dbraw/zinc/49/79/12/401497912.db2.gz MMTKJLBBERYUJD-QZTJIDSGSA-N 2 1 307.526 3.147 10 30 DGEEMP C=CCN(CC=C)[C@H](C[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)C(C)C ZINC000623355418 401497915 /nfs/dbraw/zinc/49/79/15/401497915.db2.gz MMTKJLBBERYUJD-QZTJIDSGSA-N 2 1 307.526 3.147 10 30 DGEEMP Cc1cccc(NC[C@H]2CC[N@H+](CCCC(C)(C)C#N)C2)[nH+]1 ZINC000174839209 228293975 /nfs/dbraw/zinc/29/39/75/228293975.db2.gz YGSDVQLUKHWZPL-MRXNPFEDSA-N 2 1 300.450 3.454 10 30 DGEEMP Cc1cccc(NC[C@H]2CC[N@@H+](CCCC(C)(C)C#N)C2)[nH+]1 ZINC000174839209 228293977 /nfs/dbraw/zinc/29/39/77/228293977.db2.gz YGSDVQLUKHWZPL-MRXNPFEDSA-N 2 1 300.450 3.454 10 30 DGEEMP Clc1cccc(C#CC[NH+]2CCC(C[NH+]3CCCC3)CC2)c1 ZINC000156156166 432589972 /nfs/dbraw/zinc/58/99/72/432589972.db2.gz AZNFJLWUYXYBJQ-UHFFFAOYSA-N 2 1 316.876 3.499 10 30 DGEEMP C=CCCC[C@@H](C)[N@H+]1CCCN(C2CC[NH+](CC)CC2)CC1 ZINC000420985515 433367269 /nfs/dbraw/zinc/36/72/69/433367269.db2.gz WCNHJQQYHMABAI-GOSISDBHSA-N 2 1 307.526 3.223 10 30 DGEEMP C=CCOc1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)cc1 ZINC000355209774 433538039 /nfs/dbraw/zinc/53/80/39/433538039.db2.gz KENZSAUTGJSPCP-PKOBYXMFSA-N 2 1 300.446 3.168 10 30 DGEEMP C=CCOc1ccc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)cc1 ZINC000355209774 433538045 /nfs/dbraw/zinc/53/80/45/433538045.db2.gz KENZSAUTGJSPCP-PKOBYXMFSA-N 2 1 300.446 3.168 10 30 DGEEMP C=CCOc1ccc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)cc1 ZINC000355209774 433538053 /nfs/dbraw/zinc/53/80/53/433538053.db2.gz KENZSAUTGJSPCP-PKOBYXMFSA-N 2 1 300.446 3.168 10 30 DGEEMP C#CCCOc1ccc(C[NH2+]C2CC([NH+]3CCCCC3)C2)cc1 ZINC000376018852 433641709 /nfs/dbraw/zinc/64/17/09/433641709.db2.gz LKEKCBDPJIHYTE-UHFFFAOYSA-N 2 1 312.457 3.195 10 30 DGEEMP C=CCCC[C@@H](C)[NH+]1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000536994651 435422154 /nfs/dbraw/zinc/42/21/54/435422154.db2.gz KLYGTGBBADMHBL-QRVBRYPASA-N 2 1 307.526 3.222 10 30 DGEEMP C=CCOc1ccc(C[N@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)cc1 ZINC000415038510 526866113 /nfs/dbraw/zinc/86/61/13/526866113.db2.gz HVXNTYLCAIMRLS-MJGOQNOKSA-N 2 1 300.446 3.215 10 30 DGEEMP CC(C)Oc1ccc(NC(=[NH2+])NCC[N@H+]2CCCC[C@H]2C)cc1 ZINC000303910380 657578209 /nfs/dbraw/zinc/57/82/09/657578209.db2.gz YUWAJWKIIWVUNT-OAHLLOKOSA-N 2 1 318.465 3.075 10 30 DGEEMP C=C(C)COCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000581072225 400350164 /nfs/dbraw/zinc/35/01/64/400350164.db2.gz VWLWVFGYBIHZNE-IBGZPJMESA-N 2 1 314.473 3.366 10 30 DGEEMP C=C(C)COCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000581072225 400350167 /nfs/dbraw/zinc/35/01/67/400350167.db2.gz VWLWVFGYBIHZNE-IBGZPJMESA-N 2 1 314.473 3.366 10 30 DGEEMP CC[N@H+]1CC[C@H](N(C)Cc2ccc(Cl)cc2C#N)[C@H](C)C1 ZINC000187268793 165083347 /nfs/dbraw/zinc/08/33/47/165083347.db2.gz QNROQMQWWBVMEU-DYVFJYSZSA-N 2 1 305.853 3.374 10 30 DGEEMP Cc1cccc(NC[C@@H]2CC[N@H+](CCCC(C)(C)C#N)C2)[nH+]1 ZINC000174839200 228293965 /nfs/dbraw/zinc/29/39/65/228293965.db2.gz YGSDVQLUKHWZPL-INIZCTEOSA-N 2 1 300.450 3.454 10 30 DGEEMP Cc1cccc(NC[C@@H]2CC[N@@H+](CCCC(C)(C)C#N)C2)[nH+]1 ZINC000174839200 228293967 /nfs/dbraw/zinc/29/39/67/228293967.db2.gz YGSDVQLUKHWZPL-INIZCTEOSA-N 2 1 300.450 3.454 10 30 DGEEMP C=CCC[C@@H](CO)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000453336247 433100361 /nfs/dbraw/zinc/10/03/61/433100361.db2.gz AZFCGMSFJGRCAT-HAGHYFMRSA-N 2 1 314.473 3.099 10 30 DGEEMP C=C(C)C[NH+]1CCC([NH2+][C@H]2CCc3cc(F)c(OC)cc32)CC1 ZINC000281307111 433280836 /nfs/dbraw/zinc/28/08/36/433280836.db2.gz RORCVPJCRKZIFS-SFHVURJKSA-N 2 1 318.436 3.452 10 30 DGEEMP C=CCOc1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)cc1 ZINC000573229024 434883488 /nfs/dbraw/zinc/88/34/88/434883488.db2.gz OHAIVVOGIDOAFS-OTWHNJEPSA-N 2 1 300.446 3.214 10 30 DGEEMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CCC[C@H]([C@H]3CCOC3)C2)CC1 ZINC000464057509 434974958 /nfs/dbraw/zinc/97/49/58/434974958.db2.gz NWKNJKAXGHREBF-JENIJYKNSA-N 2 1 306.494 3.212 10 30 DGEEMP C=CCOc1ccc(C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)cc1 ZINC000565117624 435277771 /nfs/dbraw/zinc/27/77/71/435277771.db2.gz VRRYFWRTFHAEDN-HKUYNNGSSA-N 2 1 300.446 3.168 10 30 DGEEMP C=CCOc1ccc(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@@H]32)cc1 ZINC000565117624 435277777 /nfs/dbraw/zinc/27/77/77/435277777.db2.gz VRRYFWRTFHAEDN-HKUYNNGSSA-N 2 1 300.446 3.168 10 30 DGEEMP C=CCOc1ccc(C[N@@H+]2CCC[C@H]3C[NH+](C)CC[C@@H]32)cc1 ZINC000565117624 435277783 /nfs/dbraw/zinc/27/77/83/435277783.db2.gz VRRYFWRTFHAEDN-HKUYNNGSSA-N 2 1 300.446 3.168 10 30 DGEEMP C=CCSCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000543755230 341057096 /nfs/dbraw/zinc/05/70/96/341057096.db2.gz SWBLRARBPAHRSP-SJLPKXTDSA-N 2 1 304.503 3.406 10 30 DGEEMP Cc1cccc(NC(=[NH2+])NCCC[N@H+]2CCc3ccccc3C2)c1 ZINC000303888919 657573320 /nfs/dbraw/zinc/57/33/20/657573320.db2.gz LQVXNASXMYKAPY-UHFFFAOYSA-N 2 1 322.456 3.170 10 30 DGEEMP C=C(C)C[NH+]1CCC([NH2+]C2CC(OCc3ccccc3)C2)CC1 ZINC000493876286 246091802 /nfs/dbraw/zinc/09/18/02/246091802.db2.gz UUXMZBZILCODBB-UHFFFAOYSA-N 2 1 314.473 3.364 10 30 DGEEMP C=CCOc1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)cc1 ZINC000092043062 400149158 /nfs/dbraw/zinc/14/91/58/400149158.db2.gz KENZSAUTGJSPCP-HKUYNNGSSA-N 2 1 300.446 3.168 10 30 DGEEMP C=CCOc1ccc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)cc1 ZINC000092043062 400149161 /nfs/dbraw/zinc/14/91/61/400149161.db2.gz KENZSAUTGJSPCP-HKUYNNGSSA-N 2 1 300.446 3.168 10 30 DGEEMP C=CCOc1ccc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)cc1 ZINC000092043062 400149165 /nfs/dbraw/zinc/14/91/65/400149165.db2.gz KENZSAUTGJSPCP-HKUYNNGSSA-N 2 1 300.446 3.168 10 30 DGEEMP C=C(C)COCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000581072228 400350355 /nfs/dbraw/zinc/35/03/55/400350355.db2.gz VWLWVFGYBIHZNE-LJQANCHMSA-N 2 1 314.473 3.366 10 30 DGEEMP C=C(C)COCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000581072228 400350358 /nfs/dbraw/zinc/35/03/58/400350358.db2.gz VWLWVFGYBIHZNE-LJQANCHMSA-N 2 1 314.473 3.366 10 30 DGEEMP C[N@@H+](Cc1cccnc1)C[C@@H]1CC[NH+](CC(C)(C)CCC#N)C1 ZINC000190476378 432160679 /nfs/dbraw/zinc/16/06/79/432160679.db2.gz ZPUIYOUTPZGGRG-SFHVURJKSA-N 2 1 314.477 3.165 10 30 DGEEMP C[N@H+](Cc1cccnc1)C[C@@H]1CC[NH+](CC(C)(C)CCC#N)C1 ZINC000190476378 432160682 /nfs/dbraw/zinc/16/06/82/432160682.db2.gz ZPUIYOUTPZGGRG-SFHVURJKSA-N 2 1 314.477 3.165 10 30 DGEEMP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@H+](CC(C)(C)CCC#N)C1 ZINC000190476378 432160686 /nfs/dbraw/zinc/16/06/86/432160686.db2.gz ZPUIYOUTPZGGRG-SFHVURJKSA-N 2 1 314.477 3.165 10 30 DGEEMP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@@H+](CC(C)(C)CCC#N)C1 ZINC000190476378 432160689 /nfs/dbraw/zinc/16/06/89/432160689.db2.gz ZPUIYOUTPZGGRG-SFHVURJKSA-N 2 1 314.477 3.165 10 30 DGEEMP C=C[C@@H]1OCC[C@H]1[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000453341770 433105188 /nfs/dbraw/zinc/10/51/88/433105188.db2.gz CUDRSCYFGHZUET-OBKDMQGPSA-N 2 1 312.457 3.115 10 30 DGEEMP C=CCCC[C@@H](C)[N@@H+](C)C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000425990713 433394616 /nfs/dbraw/zinc/39/46/16/433394616.db2.gz OGISRPCEMJDWFZ-QUCCMNQESA-N 2 1 316.489 3.300 10 30 DGEEMP C=CCCC[C@@H](C)[N@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000425990713 433394625 /nfs/dbraw/zinc/39/46/25/433394625.db2.gz OGISRPCEMJDWFZ-QUCCMNQESA-N 2 1 316.489 3.300 10 30 DGEEMP C=CCCC[C@@H](C)[N@@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000425990713 433394633 /nfs/dbraw/zinc/39/46/33/433394633.db2.gz OGISRPCEMJDWFZ-QUCCMNQESA-N 2 1 316.489 3.300 10 30 DGEEMP C=CCCC[C@@H](C)[NH+](C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000425990713 433394645 /nfs/dbraw/zinc/39/46/45/433394645.db2.gz OGISRPCEMJDWFZ-QUCCMNQESA-N 2 1 316.489 3.300 10 30 DGEEMP C=CCCC[C@@H](C)[NH+](C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000425990713 433394652 /nfs/dbraw/zinc/39/46/52/433394652.db2.gz OGISRPCEMJDWFZ-QUCCMNQESA-N 2 1 316.489 3.300 10 30 DGEEMP C=CCOCC[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000367374669 434547123 /nfs/dbraw/zinc/54/71/23/434547123.db2.gz KYBNDYKIZWTEGK-UHFFFAOYSA-N 2 1 302.462 3.222 10 30 DGEEMP C=C[C@@H]1OCC[C@H]1C[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000424295484 434683510 /nfs/dbraw/zinc/68/35/10/434683510.db2.gz MVBMSBCZZRRHSF-MDNKFWRPSA-N 2 1 314.473 3.078 10 30 DGEEMP C=CC[N@@H+](CCCn1cc[nH+]c1C)Cc1cccc([N+](=O)[O-])c1 ZINC000342860521 526275332 /nfs/dbraw/zinc/27/53/32/526275332.db2.gz OZVUZDYPJJOURD-UHFFFAOYSA-N 2 1 314.389 3.178 10 30 DGEEMP C=CC[N@H+](CCCn1cc[nH+]c1C)Cc1cccc([N+](=O)[O-])c1 ZINC000342860521 526275337 /nfs/dbraw/zinc/27/53/37/526275337.db2.gz OZVUZDYPJJOURD-UHFFFAOYSA-N 2 1 314.389 3.178 10 30 DGEEMP C=CCOCCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000348047844 526759672 /nfs/dbraw/zinc/75/96/72/526759672.db2.gz GAWPVFHYIIRRGJ-IEBWSBKVSA-N 2 1 302.462 3.079 10 30 DGEEMP C=CCOCCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000348047844 526759679 /nfs/dbraw/zinc/75/96/79/526759679.db2.gz GAWPVFHYIIRRGJ-IEBWSBKVSA-N 2 1 302.462 3.079 10 30 DGEEMP C=CCOc1cccc(C[N@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)c1 ZINC000415038693 526898340 /nfs/dbraw/zinc/89/83/40/526898340.db2.gz IFRZGOJGVADADF-IEBWSBKVSA-N 2 1 300.446 3.215 10 30 DGEEMP C[C@@]12C[NH+](CC3(CC#N)CC3)C[C@@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000702276644 660718580 /nfs/dbraw/zinc/71/85/80/660718580.db2.gz SMOKRRNHNCBGOZ-RBUKOAKNSA-N 2 1 309.457 3.134 10 30 DGEEMP C[C@@]12C[NH+](CC3(CC#N)CC3)C[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000702276644 660718583 /nfs/dbraw/zinc/71/85/83/660718583.db2.gz SMOKRRNHNCBGOZ-RBUKOAKNSA-N 2 1 309.457 3.134 10 30 DGEEMP C[C@]12C[NH+](Cc3ccccc3)C[C@H]1C[N@H+](CC1(CC#N)CC1)C2 ZINC000702276644 660718584 /nfs/dbraw/zinc/71/85/84/660718584.db2.gz SMOKRRNHNCBGOZ-RBUKOAKNSA-N 2 1 309.457 3.134 10 30 DGEEMP C[C@]12C[NH+](Cc3ccccc3)C[C@H]1C[N@@H+](CC1(CC#N)CC1)C2 ZINC000702276644 660718586 /nfs/dbraw/zinc/71/85/86/660718586.db2.gz SMOKRRNHNCBGOZ-RBUKOAKNSA-N 2 1 309.457 3.134 10 30 DGEEMP C[N@@H+](CCNC(=[NH2+])Nc1ccc2c(c1)CCC2)C1CCCCC1 ZINC000303889501 657573621 /nfs/dbraw/zinc/57/36/21/657573621.db2.gz LYJIDHMRJFWZDI-UHFFFAOYSA-N 2 1 314.477 3.166 10 30 DGEEMP Cc1cccc(NC(=[NH2+])NCC(C)(C)[N@H+]2CCC[C@H](C)C2)c1 ZINC000303899447 657575598 /nfs/dbraw/zinc/57/55/98/657575598.db2.gz WCZFFYGFANKBID-HNNXBMFYSA-N 2 1 302.466 3.232 10 30 DGEEMP C#CC[N@H+](C)CCC[NH2+]Cc1ccc(OCc2ccccc2)cc1 ZINC000392816589 1197718480 /nfs/dbraw/zinc/71/84/80/1197718480.db2.gz QKIJXFACORDJLF-UHFFFAOYSA-N 2 1 322.452 3.310 10 30 DGEEMP C#CC[N@@H+](C)CCC[NH2+]Cc1ccc(OCc2ccccc2)cc1 ZINC000392816589 1197718485 /nfs/dbraw/zinc/71/84/85/1197718485.db2.gz QKIJXFACORDJLF-UHFFFAOYSA-N 2 1 322.452 3.310 10 30 DGEEMP Cc1cccc(N2CCC([NH2+]Cc3ccc(C#N)cc3)CC2)[nH+]1 ZINC000116924458 431538587 /nfs/dbraw/zinc/53/85/87/431538587.db2.gz DRTSPFSTRKTWMT-UHFFFAOYSA-N 2 1 306.413 3.020 10 30 DGEEMP C=CCOc1ccc(C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000093596928 431916341 /nfs/dbraw/zinc/91/63/41/431916341.db2.gz XKYLDWIGGVKUIL-SFHVURJKSA-N 2 1 300.446 3.169 10 30 DGEEMP C=CCOc1ccc(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000093596928 431916343 /nfs/dbraw/zinc/91/63/43/431916343.db2.gz XKYLDWIGGVKUIL-SFHVURJKSA-N 2 1 300.446 3.169 10 30 DGEEMP N#CCCCOc1cccc(C[N@H+]2CCC[C@H]2Cn2ccnc2)c1 ZINC000188413559 432723874 /nfs/dbraw/zinc/72/38/74/432723874.db2.gz FNZYFLPIVFFOIY-SFHVURJKSA-N 2 1 324.428 3.230 10 30 DGEEMP C=C[C@@H]1OCC[C@H]1C[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000424295480 434682356 /nfs/dbraw/zinc/68/23/56/434682356.db2.gz MVBMSBCZZRRHSF-GTAWCEEGSA-N 2 1 314.473 3.078 10 30 DGEEMP C=CCOc1ccc(C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@H]32)cc1 ZINC000565117628 435278057 /nfs/dbraw/zinc/27/80/57/435278057.db2.gz VRRYFWRTFHAEDN-PKOBYXMFSA-N 2 1 300.446 3.168 10 30 DGEEMP C=CCOc1ccc(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@H]32)cc1 ZINC000565117628 435278065 /nfs/dbraw/zinc/27/80/65/435278065.db2.gz VRRYFWRTFHAEDN-PKOBYXMFSA-N 2 1 300.446 3.168 10 30 DGEEMP C=CCOc1ccc(C[N@@H+]2CCC[C@H]3C[NH+](C)CC[C@H]32)cc1 ZINC000565117628 435278068 /nfs/dbraw/zinc/27/80/68/435278068.db2.gz VRRYFWRTFHAEDN-PKOBYXMFSA-N 2 1 300.446 3.168 10 30 DGEEMP C=CCOc1ccccc1C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000552268479 341382479 /nfs/dbraw/zinc/38/24/79/341382479.db2.gz KVMFBCVMPYSRLS-KZNAEPCWSA-N 2 1 300.446 3.214 10 30 DGEEMP CCCCCCCC[N@@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000174882552 528128280 /nfs/dbraw/zinc/12/82/80/528128280.db2.gz FVBGOOLPVHSCBJ-IBGZPJMESA-N 2 1 309.542 3.449 10 30 DGEEMP CCCCCCCC[N@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000174882552 528128288 /nfs/dbraw/zinc/12/82/88/528128288.db2.gz FVBGOOLPVHSCBJ-IBGZPJMESA-N 2 1 309.542 3.449 10 30 DGEEMP Cc1cccc(NC(=[NH2+])NCC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000303879689 657569841 /nfs/dbraw/zinc/56/98/41/657569841.db2.gz JUCJRECXLOSZBH-IYBDPMFKSA-N 2 1 316.493 3.478 10 30 DGEEMP Cc1cccc(NC(=[NH2+])NCCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000303901645 657577550 /nfs/dbraw/zinc/57/75/50/657577550.db2.gz SUTZPMZKBUXVAJ-CALCHBBNSA-N 2 1 316.493 3.480 10 30 DGEEMP Cc1cccc(NC(=[NH2+])NCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000303907249 657579200 /nfs/dbraw/zinc/57/92/00/657579200.db2.gz WTIROXRDVLOPHH-IYBDPMFKSA-N 2 1 302.466 3.090 10 30 DGEEMP C=CCC[C@H](CC)[NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000120641081 1200163511 /nfs/dbraw/zinc/16/35/11/1200163511.db2.gz NFGJJCGSLNUXIA-OALUTQOASA-N 2 1 302.462 3.088 10 30 DGEEMP C[N@@H+](Cc1cccnc1)C[C@H]1CC[NH+](CC(C)(C)CCC#N)C1 ZINC000190476354 432161456 /nfs/dbraw/zinc/16/14/56/432161456.db2.gz ZPUIYOUTPZGGRG-GOSISDBHSA-N 2 1 314.477 3.165 10 30 DGEEMP C[N@H+](Cc1cccnc1)C[C@H]1CC[NH+](CC(C)(C)CCC#N)C1 ZINC000190476354 432161459 /nfs/dbraw/zinc/16/14/59/432161459.db2.gz ZPUIYOUTPZGGRG-GOSISDBHSA-N 2 1 314.477 3.165 10 30 DGEEMP C[NH+](Cc1cccnc1)C[C@H]1CC[N@H+](CC(C)(C)CCC#N)C1 ZINC000190476354 432161462 /nfs/dbraw/zinc/16/14/62/432161462.db2.gz ZPUIYOUTPZGGRG-GOSISDBHSA-N 2 1 314.477 3.165 10 30 DGEEMP C[NH+](Cc1cccnc1)C[C@H]1CC[N@@H+](CC(C)(C)CCC#N)C1 ZINC000190476354 432161465 /nfs/dbraw/zinc/16/14/65/432161465.db2.gz ZPUIYOUTPZGGRG-GOSISDBHSA-N 2 1 314.477 3.165 10 30 DGEEMP C[C@H](c1ccc(C#N)cc1)[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000118398405 431603307 /nfs/dbraw/zinc/60/33/07/431603307.db2.gz NGFAFHUPFBZBDV-OAHLLOKOSA-N 2 1 308.429 3.307 10 30 DGEEMP C=CCOc1cccc(C[NH+](C)[C@H]2CC[N@H+](CC)C[C@@H]2C)c1 ZINC000245690776 432856285 /nfs/dbraw/zinc/85/62/85/432856285.db2.gz BITLJLZNDAOOTR-LPHOPBHVSA-N 2 1 302.462 3.414 10 30 DGEEMP C=CCOc1cccc(C[N@@H+](C)[C@H]2CC[NH+](CC)C[C@@H]2C)c1 ZINC000245690776 432856286 /nfs/dbraw/zinc/85/62/86/432856286.db2.gz BITLJLZNDAOOTR-LPHOPBHVSA-N 2 1 302.462 3.414 10 30 DGEEMP C=CCOc1cccc(C[N@H+](C)[C@H]2CC[NH+](CC)C[C@@H]2C)c1 ZINC000245690776 432856288 /nfs/dbraw/zinc/85/62/88/432856288.db2.gz BITLJLZNDAOOTR-LPHOPBHVSA-N 2 1 302.462 3.414 10 30 DGEEMP C=CCCC[C@@H](C)[N@@H+](C)C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000425990714 433395166 /nfs/dbraw/zinc/39/51/66/433395166.db2.gz OGISRPCEMJDWFZ-UYAOXDASSA-N 2 1 316.489 3.300 10 30 DGEEMP C=CCCC[C@@H](C)[N@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000425990714 433395177 /nfs/dbraw/zinc/39/51/77/433395177.db2.gz OGISRPCEMJDWFZ-UYAOXDASSA-N 2 1 316.489 3.300 10 30 DGEEMP C=CCCC[C@@H](C)[N@@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000425990714 433395182 /nfs/dbraw/zinc/39/51/82/433395182.db2.gz OGISRPCEMJDWFZ-UYAOXDASSA-N 2 1 316.489 3.300 10 30 DGEEMP C=CCCC[C@@H](C)[NH+](C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000425990714 433395191 /nfs/dbraw/zinc/39/51/91/433395191.db2.gz OGISRPCEMJDWFZ-UYAOXDASSA-N 2 1 316.489 3.300 10 30 DGEEMP C=CCCC[C@@H](C)[NH+](C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000425990714 433395198 /nfs/dbraw/zinc/39/51/98/433395198.db2.gz OGISRPCEMJDWFZ-UYAOXDASSA-N 2 1 316.489 3.300 10 30 DGEEMP C=CCOc1ccc(C[NH2+]C2CC([NH+]3CCCCC3)C2)cc1 ZINC000475549339 435203092 /nfs/dbraw/zinc/20/30/92/435203092.db2.gz LLTIHCDZVWZOPV-UHFFFAOYSA-N 2 1 300.446 3.358 10 30 DGEEMP C=C(C)COCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000539060538 435535219 /nfs/dbraw/zinc/53/52/19/435535219.db2.gz UBGVBGKIFMHMBK-MJGOQNOKSA-N 2 1 302.462 3.079 10 30 DGEEMP C=C(C)COCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000539060538 435535223 /nfs/dbraw/zinc/53/52/23/435535223.db2.gz UBGVBGKIFMHMBK-MJGOQNOKSA-N 2 1 302.462 3.079 10 30 DGEEMP C=CCOc1ccccc1C[NH+](C)[C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000539817331 435571278 /nfs/dbraw/zinc/57/12/78/435571278.db2.gz NSMAKJGEQAXRIC-WMZOPIPTSA-N 2 1 302.462 3.414 10 30 DGEEMP C=CCOc1ccccc1C[NH+](C)[C@H]1CC[N@H+](CC)C[C@@H]1C ZINC000539817331 435571280 /nfs/dbraw/zinc/57/12/80/435571280.db2.gz NSMAKJGEQAXRIC-WMZOPIPTSA-N 2 1 302.462 3.414 10 30 DGEEMP C=CCOc1ccccc1C[N@@H+](C)[C@H]1CC[NH+](CC)C[C@@H]1C ZINC000539817331 435571282 /nfs/dbraw/zinc/57/12/82/435571282.db2.gz NSMAKJGEQAXRIC-WMZOPIPTSA-N 2 1 302.462 3.414 10 30 DGEEMP C=CCOc1ccccc1C[N@H+](C)[C@H]1CC[NH+](CC)C[C@@H]1C ZINC000539817331 435571292 /nfs/dbraw/zinc/57/12/92/435571292.db2.gz NSMAKJGEQAXRIC-WMZOPIPTSA-N 2 1 302.462 3.414 10 30 DGEEMP C=CCOc1ccc(C[N@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)cc1 ZINC000415038508 526866133 /nfs/dbraw/zinc/86/61/33/526866133.db2.gz HVXNTYLCAIMRLS-HKUYNNGSSA-N 2 1 300.446 3.215 10 30 DGEEMP Cc1[nH+]ccn1CCC[N@@H+](C)CC#Cc1ccc(Cl)cc1 ZINC000130439701 227020974 /nfs/dbraw/zinc/02/09/74/227020974.db2.gz VLVYBGFGMZHGHI-UHFFFAOYSA-N 2 1 301.821 3.219 10 30 DGEEMP Cc1[nH+]ccn1CCC[N@H+](C)CC#Cc1ccc(Cl)cc1 ZINC000130439701 227020984 /nfs/dbraw/zinc/02/09/84/227020984.db2.gz VLVYBGFGMZHGHI-UHFFFAOYSA-N 2 1 301.821 3.219 10 30 DGEEMP Cc1cccc(NC(=[NH2+])NC[C@@H](c2ccco2)[NH+]2CCCC2)c1 ZINC000263225964 432527001 /nfs/dbraw/zinc/52/70/01/432527001.db2.gz GNCFUNNOEZCTFL-INIZCTEOSA-N 2 1 312.417 3.152 10 30 DGEEMP C=CCC[C@H](CO)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000453336256 433098667 /nfs/dbraw/zinc/09/86/67/433098667.db2.gz AZFCGMSFJGRCAT-WTGUMLROSA-N 2 1 314.473 3.099 10 30 DGEEMP C=CCOc1ccccc1C[N@@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424372059 434714101 /nfs/dbraw/zinc/71/41/01/434714101.db2.gz FHFPBGQEEJFRSF-MRXNPFEDSA-N 2 1 300.446 3.215 10 30 DGEEMP C=C[C@@H]1OCC[C@H]1[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000566216704 435284294 /nfs/dbraw/zinc/28/42/94/435284294.db2.gz CGPCEODXGLJENR-QRVBRYPASA-N 2 1 312.457 3.117 10 30 DGEEMP C=C[C@@H]1OCC[C@H]1[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000566216704 435284300 /nfs/dbraw/zinc/28/43/00/435284300.db2.gz CGPCEODXGLJENR-QRVBRYPASA-N 2 1 312.457 3.117 10 30 DGEEMP C[NH+](CC#CC[N@@H+](C)Cc1cccs1)Cc1cccs1 ZINC000560155850 332314952 /nfs/dbraw/zinc/31/49/52/332314952.db2.gz ZEQBGDCBOURTOL-UHFFFAOYSA-N 2 1 304.484 3.377 10 30 DGEEMP C[NH+](CC#CC[N@H+](C)Cc1cccs1)Cc1cccs1 ZINC000560155850 332314953 /nfs/dbraw/zinc/31/49/53/332314953.db2.gz ZEQBGDCBOURTOL-UHFFFAOYSA-N 2 1 304.484 3.377 10 30 DGEEMP C=CCOc1cccc(C[NH+](C)[C@H]2CC[N@H+](CC)C[C@H]2C)c1 ZINC000130482898 341022927 /nfs/dbraw/zinc/02/29/27/341022927.db2.gz BITLJLZNDAOOTR-APWZRJJASA-N 2 1 302.462 3.414 10 30 DGEEMP C=CCOc1cccc(C[N@@H+](C)[C@H]2CC[NH+](CC)C[C@H]2C)c1 ZINC000130482898 341022928 /nfs/dbraw/zinc/02/29/28/341022928.db2.gz BITLJLZNDAOOTR-APWZRJJASA-N 2 1 302.462 3.414 10 30 DGEEMP C=CCOc1cccc(C[N@H+](C)[C@H]2CC[NH+](CC)C[C@H]2C)c1 ZINC000130482898 341022929 /nfs/dbraw/zinc/02/29/29/341022929.db2.gz BITLJLZNDAOOTR-APWZRJJASA-N 2 1 302.462 3.414 10 30 DGEEMP C=CCOc1cccc(C[N@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)c1 ZINC000415038696 526897924 /nfs/dbraw/zinc/89/79/24/526897924.db2.gz IFRZGOJGVADADF-MJGOQNOKSA-N 2 1 300.446 3.215 10 30 DGEEMP C=CCOc1cccc(C[N@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)c1 ZINC000415038690 526898130 /nfs/dbraw/zinc/89/81/30/526898130.db2.gz IFRZGOJGVADADF-HKUYNNGSSA-N 2 1 300.446 3.215 10 30 DGEEMP C=CCOc1ccccc1C[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000354165825 526934343 /nfs/dbraw/zinc/93/43/43/526934343.db2.gz ILIZEPCYGRWIAN-LJQANCHMSA-N 2 1 300.446 3.169 10 30 DGEEMP C=CCOc1ccccc1C[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000354165825 526934347 /nfs/dbraw/zinc/93/43/47/526934347.db2.gz ILIZEPCYGRWIAN-LJQANCHMSA-N 2 1 300.446 3.169 10 30 DGEEMP C=CCOc1ccccc1C[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000354165825 526934355 /nfs/dbraw/zinc/93/43/55/526934355.db2.gz ILIZEPCYGRWIAN-LJQANCHMSA-N 2 1 300.446 3.169 10 30 DGEEMP C=CCOc1ccccc1C[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000354165825 526934358 /nfs/dbraw/zinc/93/43/58/526934358.db2.gz ILIZEPCYGRWIAN-LJQANCHMSA-N 2 1 300.446 3.169 10 30 DGEEMP C#CCCOc1ccc(C[NH+](C)[C@H]2CC[N@H+](CC)C[C@H]2C)cc1 ZINC000093639254 660537578 /nfs/dbraw/zinc/53/75/78/660537578.db2.gz CEYMSMKWTPPUSF-XLIONFOSSA-N 2 1 314.473 3.251 10 30 DGEEMP C#CCCOc1ccc(C[N@@H+](C)[C@H]2CC[NH+](CC)C[C@H]2C)cc1 ZINC000093639254 660537579 /nfs/dbraw/zinc/53/75/79/660537579.db2.gz CEYMSMKWTPPUSF-XLIONFOSSA-N 2 1 314.473 3.251 10 30 DGEEMP C#CCCOc1ccc(C[N@H+](C)[C@H]2CC[NH+](CC)C[C@H]2C)cc1 ZINC000093639254 660537580 /nfs/dbraw/zinc/53/75/80/660537580.db2.gz CEYMSMKWTPPUSF-XLIONFOSSA-N 2 1 314.473 3.251 10 30 DGEEMP Cc1cccc(NC(=[NH2+])NC[C@@H]2CCC[N@H+](CC(C)C)C2)c1 ZINC000157399862 659057010 /nfs/dbraw/zinc/05/70/10/659057010.db2.gz NIBIEOJSJOPCOD-INIZCTEOSA-N 2 1 302.466 3.090 10 30 DGEEMP C=CCOc1c(Cl)cc(C[NH2+]CCC[NH+]2CCC2)cc1OC ZINC000623478283 401527379 /nfs/dbraw/zinc/52/73/79/401527379.db2.gz GLCOXCVIXBPWBB-UHFFFAOYSA-N 2 1 324.852 3.099 10 30 DGEEMP C#CCCOc1ccc(C[NH+](C)[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000093644503 431915480 /nfs/dbraw/zinc/91/54/80/431915480.db2.gz DHABWNVALKDXFQ-SJLPKXTDSA-N 2 1 300.446 3.003 10 30 DGEEMP C#CCCOc1ccc(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000093644503 431915482 /nfs/dbraw/zinc/91/54/82/431915482.db2.gz DHABWNVALKDXFQ-SJLPKXTDSA-N 2 1 300.446 3.003 10 30 DGEEMP C#CCCOc1ccc(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)cc1 ZINC000093644503 431915483 /nfs/dbraw/zinc/91/54/83/431915483.db2.gz DHABWNVALKDXFQ-SJLPKXTDSA-N 2 1 300.446 3.003 10 30 DGEEMP C#CCCOc1ccc(C[N@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)cc1 ZINC000093644503 431915485 /nfs/dbraw/zinc/91/54/85/431915485.db2.gz DHABWNVALKDXFQ-SJLPKXTDSA-N 2 1 300.446 3.003 10 30 DGEEMP C#CCCOc1ccc(C[NH+](C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000093644504 431915854 /nfs/dbraw/zinc/91/58/54/431915854.db2.gz DHABWNVALKDXFQ-FUHWJXTLSA-N 2 1 300.446 3.003 10 30 DGEEMP C#CCCOc1ccc(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000093644504 431915856 /nfs/dbraw/zinc/91/58/56/431915856.db2.gz DHABWNVALKDXFQ-FUHWJXTLSA-N 2 1 300.446 3.003 10 30 DGEEMP C#CCCOc1ccc(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)cc1 ZINC000093644504 431915857 /nfs/dbraw/zinc/91/58/57/431915857.db2.gz DHABWNVALKDXFQ-FUHWJXTLSA-N 2 1 300.446 3.003 10 30 DGEEMP C#CCCOc1ccc(C[N@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)cc1 ZINC000093644504 431915859 /nfs/dbraw/zinc/91/58/59/431915859.db2.gz DHABWNVALKDXFQ-FUHWJXTLSA-N 2 1 300.446 3.003 10 30 DGEEMP C(#Cc1ccccc1)C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000278826637 432906283 /nfs/dbraw/zinc/90/62/83/432906283.db2.gz HYUJWXQUWGAAIM-UHFFFAOYSA-N 2 1 319.452 3.451 10 30 DGEEMP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@H](C)c2ccc(C#N)cc2F)C1 ZINC000358596871 434398222 /nfs/dbraw/zinc/39/82/22/434398222.db2.gz WIUQAANHGHDVBI-GDBMZVCRSA-N 2 1 303.425 3.468 10 30 DGEEMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@H](C)c2ccc(C#N)cc2F)C1 ZINC000358596871 434398233 /nfs/dbraw/zinc/39/82/33/434398233.db2.gz WIUQAANHGHDVBI-GDBMZVCRSA-N 2 1 303.425 3.468 10 30 DGEEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CC#Cc1cccc(Cl)c1 ZINC000154589922 534776961 /nfs/dbraw/zinc/77/69/61/534776961.db2.gz CAUROGUPCPBOQS-SFHVURJKSA-N 2 1 313.832 3.361 10 30 DGEEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CC#Cc1cccc(Cl)c1 ZINC000154589922 534776966 /nfs/dbraw/zinc/77/69/66/534776966.db2.gz CAUROGUPCPBOQS-SFHVURJKSA-N 2 1 313.832 3.361 10 30 DGEEMP C=C(C)C[NH+]1CCC([NH2+]Cc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000183466881 526603843 /nfs/dbraw/zinc/60/38/43/526603843.db2.gz LSIKGFJZHUGCLU-UHFFFAOYSA-N 2 1 303.406 3.033 10 30 DGEEMP C=CCOc1ccc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)cc1 ZINC000348875545 526860542 /nfs/dbraw/zinc/86/05/42/526860542.db2.gz KUXHVEUKMIBXAV-JWTNVVGKSA-N 2 1 300.446 3.308 10 30 DGEEMP C=CCOc1ccc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC000348875545 526860552 /nfs/dbraw/zinc/86/05/52/526860552.db2.gz KUXHVEUKMIBXAV-JWTNVVGKSA-N 2 1 300.446 3.308 10 30 DGEEMP C=CCOc1ccc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC000348875545 526860557 /nfs/dbraw/zinc/86/05/57/526860557.db2.gz KUXHVEUKMIBXAV-JWTNVVGKSA-N 2 1 300.446 3.308 10 30 DGEEMP C(#Cc1ccccc1)C[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309745442 655880445 /nfs/dbraw/zinc/88/04/45/655880445.db2.gz UCPGHETWXSWXNX-NRFANRHFSA-N 2 1 304.437 3.150 10 30 DGEEMP C(#Cc1ccccc1)C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309745442 655880446 /nfs/dbraw/zinc/88/04/46/655880446.db2.gz UCPGHETWXSWXNX-NRFANRHFSA-N 2 1 304.437 3.150 10 30 DGEEMP CCCC[N@H+]1CCCC[C@@H]1CNC(=[NH2+])Nc1cccc(C)c1 ZINC000303891479 657573503 /nfs/dbraw/zinc/57/35/03/657573503.db2.gz QRXOQUQDXAHRPZ-QGZVFWFLSA-N 2 1 302.466 3.376 10 30 DGEEMP Cc1cccc(NC(=[NH2+])NCC(C)(C)[N@H+]2CCC[C@@H](C)C2)c1 ZINC000303899449 657575507 /nfs/dbraw/zinc/57/55/07/657575507.db2.gz WCZFFYGFANKBID-OAHLLOKOSA-N 2 1 302.466 3.232 10 30 DGEEMP C=CC[NH+](CC=C)[C@@H](CN[C@H]1CC[N@@H+](C)C(C)(C)C1)C(C)C ZINC000623355419 401497883 /nfs/dbraw/zinc/49/78/83/401497883.db2.gz MMTKJLBBERYUJD-ROUUACIJSA-N 2 1 307.526 3.147 10 30 DGEEMP C=CCN(CC=C)[C@@H](C[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)C(C)C ZINC000623355419 401497885 /nfs/dbraw/zinc/49/78/85/401497885.db2.gz MMTKJLBBERYUJD-ROUUACIJSA-N 2 1 307.526 3.147 10 30 DGEEMP C=CCN(CC=C)[C@@H](C[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)C(C)C ZINC000623355419 401497887 /nfs/dbraw/zinc/49/78/87/401497887.db2.gz MMTKJLBBERYUJD-ROUUACIJSA-N 2 1 307.526 3.147 10 30 DGEEMP CCc1nccn1[C@H]1CCC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC000122929070 431849022 /nfs/dbraw/zinc/84/90/22/431849022.db2.gz MPZWGKUFYYTMEH-ZDUSSCGKSA-N 2 1 300.431 3.216 10 30 DGEEMP C=CCOc1ccccc1C[NH+](C)[C@@H]1CC[N@@H+](CC)C[C@H]1C ZINC000093639073 431915873 /nfs/dbraw/zinc/91/58/73/431915873.db2.gz NSMAKJGEQAXRIC-SJLPKXTDSA-N 2 1 302.462 3.414 10 30 DGEEMP C=CCOc1ccccc1C[NH+](C)[C@@H]1CC[N@H+](CC)C[C@H]1C ZINC000093639073 431915874 /nfs/dbraw/zinc/91/58/74/431915874.db2.gz NSMAKJGEQAXRIC-SJLPKXTDSA-N 2 1 302.462 3.414 10 30 DGEEMP C=CCOc1ccccc1C[N@@H+](C)[C@@H]1CC[NH+](CC)C[C@H]1C ZINC000093639073 431915875 /nfs/dbraw/zinc/91/58/75/431915875.db2.gz NSMAKJGEQAXRIC-SJLPKXTDSA-N 2 1 302.462 3.414 10 30 DGEEMP C=CCOc1ccccc1C[N@H+](C)[C@@H]1CC[NH+](CC)C[C@H]1C ZINC000093639073 431915876 /nfs/dbraw/zinc/91/58/76/431915876.db2.gz NSMAKJGEQAXRIC-SJLPKXTDSA-N 2 1 302.462 3.414 10 30 DGEEMP C=CCOc1ccccc1C[N@H+]1CC[C@H](C[NH+](CC)CC)C1 ZINC000093693269 431916689 /nfs/dbraw/zinc/91/66/89/431916689.db2.gz LHBLRIAAAAFYNV-QGZVFWFLSA-N 2 1 302.462 3.415 10 30 DGEEMP C=CCOc1ccccc1C[N@@H+]1CC[C@H](C[NH+](CC)CC)C1 ZINC000093693269 431916690 /nfs/dbraw/zinc/91/66/90/431916690.db2.gz LHBLRIAAAAFYNV-QGZVFWFLSA-N 2 1 302.462 3.415 10 30 DGEEMP Cc1cccc(NC[C@H]2CC[N@H+](CC(C)(C)CCC#N)C2)[nH+]1 ZINC000092813452 281246935 /nfs/dbraw/zinc/24/69/35/281246935.db2.gz JDWKMTCTYKRSOR-MRXNPFEDSA-N 2 1 300.450 3.454 10 30 DGEEMP Cc1cccc(NC[C@H]2CC[N@@H+](CC(C)(C)CCC#N)C2)[nH+]1 ZINC000092813452 281246936 /nfs/dbraw/zinc/24/69/36/281246936.db2.gz JDWKMTCTYKRSOR-MRXNPFEDSA-N 2 1 300.450 3.454 10 30 DGEEMP Cc1ccc(N2CCC([NH2+]Cc3ccc(C#N)cc3)CC2)[nH+]c1 ZINC000174430659 432346540 /nfs/dbraw/zinc/34/65/40/432346540.db2.gz ZKRPXNRZTXMXRE-UHFFFAOYSA-N 2 1 306.413 3.020 10 30 DGEEMP C=CCC[C@H]([NH2+]C1CCC([NH+]2CCNCC2)CC1)c1ccco1 ZINC000423509672 434466437 /nfs/dbraw/zinc/46/64/37/434466437.db2.gz LTYWZGPKLYVJDO-ABHNRTSZSA-N 2 1 317.477 3.093 10 30 DGEEMP C=CCOc1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)cc1 ZINC000573229021 434884393 /nfs/dbraw/zinc/88/43/93/434884393.db2.gz OHAIVVOGIDOAFS-GUDVDZBRSA-N 2 1 300.446 3.214 10 30 DGEEMP C=C(C)COCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000539060537 435535983 /nfs/dbraw/zinc/53/59/83/435535983.db2.gz UBGVBGKIFMHMBK-IEBWSBKVSA-N 2 1 302.462 3.079 10 30 DGEEMP C=C(C)COCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000539060537 435535989 /nfs/dbraw/zinc/53/59/89/435535989.db2.gz UBGVBGKIFMHMBK-IEBWSBKVSA-N 2 1 302.462 3.079 10 30 DGEEMP C=CCSCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000543755231 341057160 /nfs/dbraw/zinc/05/71/60/341057160.db2.gz SWBLRARBPAHRSP-WMZOPIPTSA-N 2 1 304.503 3.406 10 30 DGEEMP CCCCCCCC[N@@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000174882569 528127993 /nfs/dbraw/zinc/12/79/93/528127993.db2.gz FVBGOOLPVHSCBJ-LJQANCHMSA-N 2 1 309.542 3.449 10 30 DGEEMP CCCCCCCC[N@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000174882569 528127998 /nfs/dbraw/zinc/12/79/98/528127998.db2.gz FVBGOOLPVHSCBJ-LJQANCHMSA-N 2 1 309.542 3.449 10 30 DGEEMP C=CC[NH+]1CCC([NH2+]Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000236661949 1176487764 /nfs/dbraw/zinc/48/77/64/1176487764.db2.gz RAWGHLWIPIXSER-UHFFFAOYSA-N 2 1 313.489 3.417 10 30 DGEEMP CC[N@H+]1CC[C@@H](N(C)Cc2ccc(Cl)cc2C#N)[C@H](C)C1 ZINC000187268814 165082347 /nfs/dbraw/zinc/08/23/47/165082347.db2.gz QNROQMQWWBVMEU-CXAGYDPISA-N 2 1 305.853 3.374 10 30 DGEEMP C=CCOc1ccc(C[NH+](C)[C@@H]2CC[N@H+](CC)C[C@H]2C)cc1 ZINC000093638623 431915415 /nfs/dbraw/zinc/91/54/15/431915415.db2.gz ZQIUSMJIZLVOLN-VQIMIIECSA-N 2 1 302.462 3.414 10 30 DGEEMP C=CCOc1ccc(C[N@@H+](C)[C@@H]2CC[NH+](CC)C[C@H]2C)cc1 ZINC000093638623 431915418 /nfs/dbraw/zinc/91/54/18/431915418.db2.gz ZQIUSMJIZLVOLN-VQIMIIECSA-N 2 1 302.462 3.414 10 30 DGEEMP C=CCOc1ccc(C[N@H+](C)[C@@H]2CC[NH+](CC)C[C@H]2C)cc1 ZINC000093638623 431915420 /nfs/dbraw/zinc/91/54/20/431915420.db2.gz ZQIUSMJIZLVOLN-VQIMIIECSA-N 2 1 302.462 3.414 10 30 DGEEMP C=CCOc1ccc(CN2CC[C@H](C[N@@H+](C)CC3CC3)C2)cc1 ZINC000536698563 435406807 /nfs/dbraw/zinc/40/68/07/435406807.db2.gz REZZAKPEBKYXBF-LJQANCHMSA-N 2 1 314.473 3.415 10 30 DGEEMP C=CCOc1ccc(C[NH+]2CC[C@H](C[N@H+](C)CC3CC3)C2)cc1 ZINC000536698563 435406812 /nfs/dbraw/zinc/40/68/12/435406812.db2.gz REZZAKPEBKYXBF-LJQANCHMSA-N 2 1 314.473 3.415 10 30 DGEEMP C=CCOc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)CC3CC3)C2)cc1 ZINC000536698563 435406820 /nfs/dbraw/zinc/40/68/20/435406820.db2.gz REZZAKPEBKYXBF-LJQANCHMSA-N 2 1 314.473 3.415 10 30 DGEEMP C=CCOc1ccc(C[N@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)cc1 ZINC000536698563 435406827 /nfs/dbraw/zinc/40/68/27/435406827.db2.gz REZZAKPEBKYXBF-LJQANCHMSA-N 2 1 314.473 3.415 10 30 DGEEMP C=CCOc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)cc1 ZINC000536698563 435406830 /nfs/dbraw/zinc/40/68/30/435406830.db2.gz REZZAKPEBKYXBF-LJQANCHMSA-N 2 1 314.473 3.415 10 30 DGEEMP C=C(C)C[N@H+](C)Cc1ccccc1N1CC[NH+](CCC)CC1 ZINC000497166885 333194748 /nfs/dbraw/zinc/19/47/48/333194748.db2.gz WTRWTTPHSUPYMO-UHFFFAOYSA-N 2 1 301.478 3.227 10 30 DGEEMP C=C(C)C[NH+]1CCC([NH2+]Cc2ccccc2-c2ccnn2C)CC1 ZINC000352388996 526604322 /nfs/dbraw/zinc/60/43/22/526604322.db2.gz YLOZCIVPWQJPSQ-UHFFFAOYSA-N 2 1 324.472 3.217 10 30 DGEEMP C=CCOCCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716627750 661225135 /nfs/dbraw/zinc/22/51/35/661225135.db2.gz URLVGKAUQQSGAU-UFYCRDLUSA-N 2 1 314.473 3.222 10 30 DGEEMP N#Cc1ccc(CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)o1 ZINC000174376534 198326840 /nfs/dbraw/zinc/32/68/40/198326840.db2.gz RHXRWAVEANGAEF-AYHJJNSGSA-N 2 1 321.424 3.436 10 30 DGEEMP N#Cc1ccc(C2CC[NH+](CCC[NH+]3CCCCC3)CC2)nc1 ZINC000600841185 400166864 /nfs/dbraw/zinc/16/68/64/400166864.db2.gz NXSNRLSGEXHMLG-UHFFFAOYSA-N 2 1 312.461 3.009 10 30 DGEEMP C=CCCC[C@H](C)[N@H+]1CCCN(C2CC[NH+](CC)CC2)CC1 ZINC000420985518 433366990 /nfs/dbraw/zinc/36/69/90/433366990.db2.gz WCNHJQQYHMABAI-SFHVURJKSA-N 2 1 307.526 3.223 10 30 DGEEMP C#CCCC[N@@H+](CCC)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000362430731 433707635 /nfs/dbraw/zinc/70/76/35/433707635.db2.gz RNYQJBCKAVYAQJ-UHFFFAOYSA-N 2 1 314.477 3.188 10 30 DGEEMP C#CCCC[N@H+](CCC)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000362430731 433707643 /nfs/dbraw/zinc/70/76/43/433707643.db2.gz RNYQJBCKAVYAQJ-UHFFFAOYSA-N 2 1 314.477 3.188 10 30 DGEEMP C=C(C)C[NH+]1CCC([NH2+]CCCCOc2ccccc2)CC1 ZINC000438197108 434433709 /nfs/dbraw/zinc/43/37/09/434433709.db2.gz BZHOFBMNCJAGSJ-UHFFFAOYSA-N 2 1 302.462 3.476 10 30 DGEEMP N#CCC1(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC000369706498 434599101 /nfs/dbraw/zinc/59/91/01/434599101.db2.gz KWLSILZETDXHBC-LDLYASANSA-N 2 1 309.457 3.465 10 30 DGEEMP C=CCOc1ccc(C[N@@H+]2CCCC23CC[NH+](C)CC3)cc1 ZINC000355056472 526865787 /nfs/dbraw/zinc/86/57/87/526865787.db2.gz NARDVSLWWAAPGZ-UHFFFAOYSA-N 2 1 300.446 3.312 10 30 DGEEMP C=CCOc1ccc(C[NH2+]C2CC[NH+](C3CCC3)CC2)cc1 ZINC000340434618 526884595 /nfs/dbraw/zinc/88/45/95/526884595.db2.gz OIXWUSGZOUXTRH-UHFFFAOYSA-N 2 1 300.446 3.358 10 30 DGEEMP C=CCC[N@H+](C)Cc1ccccc1N1CC[NH+](CCC)CC1 ZINC000343470944 527323204 /nfs/dbraw/zinc/32/32/04/527323204.db2.gz OLFCXBHOZZTVCN-UHFFFAOYSA-N 2 1 301.478 3.227 10 30 DGEEMP C=C(C)COCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716733952 661228279 /nfs/dbraw/zinc/22/82/79/661228279.db2.gz QZDVHCIDJHNLHT-ZCNNSNEGSA-N 2 1 314.473 3.222 10 30 DGEEMP CC(C)c1cccc(NC(=[NH2+])NCC[N@H+]2CCCC[C@H]2C)c1 ZINC000303904679 657577490 /nfs/dbraw/zinc/57/74/90/657577490.db2.gz VDGDFWPXNBAKPO-OAHLLOKOSA-N 2 1 302.466 3.411 10 30 DGEEMP C=CCC[C@H](CCC)[NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000120648095 1200162533 /nfs/dbraw/zinc/16/25/33/1200162533.db2.gz DYEWQOJYQAQNJJ-PMACEKPBSA-N 2 1 316.489 3.478 10 30 DGEEMP C[C@@H]1C[C@H]([NH+](C)Cc2cccc(OCCCC#N)c2)CC[N@@H+]1C ZINC000093644149 431916248 /nfs/dbraw/zinc/91/62/48/431916248.db2.gz DDVRKJJYBZJMKZ-SJLPKXTDSA-N 2 1 315.461 3.284 10 30 DGEEMP C[C@@H]1C[C@H]([NH+](C)Cc2cccc(OCCCC#N)c2)CC[N@H+]1C ZINC000093644149 431916249 /nfs/dbraw/zinc/91/62/49/431916249.db2.gz DDVRKJJYBZJMKZ-SJLPKXTDSA-N 2 1 315.461 3.284 10 30 DGEEMP C[C@@H]1C[C@H]([N@H+](C)Cc2cccc(OCCCC#N)c2)CC[NH+]1C ZINC000093644149 431916252 /nfs/dbraw/zinc/91/62/52/431916252.db2.gz DDVRKJJYBZJMKZ-SJLPKXTDSA-N 2 1 315.461 3.284 10 30 DGEEMP C[C@@H]1C[C@H]([N@@H+](C)Cc2cccc(OCCCC#N)c2)CC[NH+]1C ZINC000093644149 431916254 /nfs/dbraw/zinc/91/62/54/431916254.db2.gz DDVRKJJYBZJMKZ-SJLPKXTDSA-N 2 1 315.461 3.284 10 30 DGEEMP C=CCC[C@@H](CO)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000453336252 433099854 /nfs/dbraw/zinc/09/98/54/433099854.db2.gz AZFCGMSFJGRCAT-LWYYNNOASA-N 2 1 314.473 3.099 10 30 DGEEMP C=CCOc1ccc(C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)cc1 ZINC000565117627 435278318 /nfs/dbraw/zinc/27/83/18/435278318.db2.gz VRRYFWRTFHAEDN-MJGOQNOKSA-N 2 1 300.446 3.168 10 30 DGEEMP C=CCOc1ccc(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@@H]32)cc1 ZINC000565117627 435278326 /nfs/dbraw/zinc/27/83/26/435278326.db2.gz VRRYFWRTFHAEDN-MJGOQNOKSA-N 2 1 300.446 3.168 10 30 DGEEMP C=CCOc1ccc(C[N@@H+]2CCC[C@@H]3C[NH+](C)CC[C@@H]32)cc1 ZINC000565117627 435278330 /nfs/dbraw/zinc/27/83/30/435278330.db2.gz VRRYFWRTFHAEDN-MJGOQNOKSA-N 2 1 300.446 3.168 10 30 DGEEMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)Cc2ccn(C(C)C)n2)CC1 ZINC000341197300 526606539 /nfs/dbraw/zinc/60/65/39/526606539.db2.gz ADCBGROJFIEHFP-MRXNPFEDSA-N 2 1 304.482 3.025 10 30 DGEEMP C=CCOc1ccccc1C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000354165824 526933917 /nfs/dbraw/zinc/93/39/17/526933917.db2.gz ILIZEPCYGRWIAN-IBGZPJMESA-N 2 1 300.446 3.169 10 30 DGEEMP C=CCOc1ccccc1C[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000354165824 526933921 /nfs/dbraw/zinc/93/39/21/526933921.db2.gz ILIZEPCYGRWIAN-IBGZPJMESA-N 2 1 300.446 3.169 10 30 DGEEMP C=CCOc1ccccc1C[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000354165824 526933927 /nfs/dbraw/zinc/93/39/27/526933927.db2.gz ILIZEPCYGRWIAN-IBGZPJMESA-N 2 1 300.446 3.169 10 30 DGEEMP C=CCOc1ccccc1C[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000354165824 526933930 /nfs/dbraw/zinc/93/39/30/526933930.db2.gz ILIZEPCYGRWIAN-IBGZPJMESA-N 2 1 300.446 3.169 10 30 DGEEMP Cc1cccc(NC(=[NH2+])NCCC[N@H+](C)Cc2ccccc2)c1 ZINC000104157412 617962556 /nfs/dbraw/zinc/96/25/56/617962556.db2.gz SCMUVVMJLUKZTI-UHFFFAOYSA-N 2 1 310.445 3.244 10 30 DGEEMP C=CCOCCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716627751 661225007 /nfs/dbraw/zinc/22/50/07/661225007.db2.gz URLVGKAUQQSGAU-ZCNNSNEGSA-N 2 1 314.473 3.222 10 30 DGEEMP C=CCCOCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716727990 661228106 /nfs/dbraw/zinc/22/81/06/661228106.db2.gz NVQUKGDNSPBZQO-ZCNNSNEGSA-N 2 1 314.473 3.222 10 30 DGEEMP CC(C)c1cccc(NC(=[NH2+])NCC[N@H+]2CCCC[C@@H]2C)c1 ZINC000303904677 657577194 /nfs/dbraw/zinc/57/71/94/657577194.db2.gz VDGDFWPXNBAKPO-HNNXBMFYSA-N 2 1 302.466 3.411 10 30 DGEEMP Cc1cccc(NC(=[NH2+])NCCCC[N@@H+]2CCCC[C@H]2C)c1 ZINC000303905569 657578920 /nfs/dbraw/zinc/57/89/20/657578920.db2.gz VRQYOHOTTDMHJC-MRXNPFEDSA-N 2 1 302.466 3.376 10 30 DGEEMP C#CC[N@H+](C)CCC[NH2+]Cc1cccc(OCc2ccccc2)c1 ZINC000394422830 1176746485 /nfs/dbraw/zinc/74/64/85/1176746485.db2.gz QASAYUPBDUOTPY-UHFFFAOYSA-N 2 1 322.452 3.310 10 30 DGEEMP C#CC[N@@H+](C)CCC[NH2+]Cc1cccc(OCc2ccccc2)c1 ZINC000394422830 1176746489 /nfs/dbraw/zinc/74/64/89/1176746489.db2.gz QASAYUPBDUOTPY-UHFFFAOYSA-N 2 1 322.452 3.310 10 30 DGEEMP Cc1cccc(NC[C@H]2CC[N@@H+](Cc3cc(C#N)cs3)C2)[nH+]1 ZINC000092813382 185343272 /nfs/dbraw/zinc/34/32/72/185343272.db2.gz BHTXCKGQCNTSFI-CQSZACIVSA-N 2 1 312.442 3.257 10 30 DGEEMP C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CC[C@@H](C#N)C2)[C@H]1c1cccs1 ZINC000442791153 530061151 /nfs/dbraw/zinc/06/11/51/530061151.db2.gz NEMNLSZDAZZJOG-ANQUJSFKSA-N 2 1 303.475 3.413 10 30 DGEEMP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CC[C@@H](C#N)C2)[C@H]1c1cccs1 ZINC000442791153 530061152 /nfs/dbraw/zinc/06/11/52/530061152.db2.gz NEMNLSZDAZZJOG-ANQUJSFKSA-N 2 1 303.475 3.413 10 30 DGEEMP Cc1ccc(N2CCC([NH2+]Cc3ccc(C#N)s3)CC2)[nH+]c1 ZINC000176975038 164794727 /nfs/dbraw/zinc/79/47/27/164794727.db2.gz LBYOFFKTRMJXTP-UHFFFAOYSA-N 2 1 312.442 3.082 10 30 DGEEMP C=CCC[C@H](C[N@H+](C)Cc1cnccn1)Oc1ccnc(C)c1 ZINC000072481132 431336139 /nfs/dbraw/zinc/33/61/39/431336139.db2.gz PLBJBCITRJYZSZ-GOSISDBHSA-N 2 1 312.417 3.026 10 30 DGEEMP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2ccc(C#N)cc2F)C1 ZINC000358596876 434399002 /nfs/dbraw/zinc/39/90/02/434399002.db2.gz WIUQAANHGHDVBI-HOCLYGCPSA-N 2 1 303.425 3.468 10 30 DGEEMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2ccc(C#N)cc2F)C1 ZINC000358596876 434399013 /nfs/dbraw/zinc/39/90/13/434399013.db2.gz WIUQAANHGHDVBI-HOCLYGCPSA-N 2 1 303.425 3.468 10 30 DGEEMP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@H](C)c2ccc(C#N)cc2F)C1 ZINC000358596878 434400143 /nfs/dbraw/zinc/40/01/43/434400143.db2.gz WIUQAANHGHDVBI-ZBFHGGJFSA-N 2 1 303.425 3.468 10 30 DGEEMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@H](C)c2ccc(C#N)cc2F)C1 ZINC000358596878 434400153 /nfs/dbraw/zinc/40/01/53/434400153.db2.gz WIUQAANHGHDVBI-ZBFHGGJFSA-N 2 1 303.425 3.468 10 30 DGEEMP C=CCOc1ccccc1C[N@@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424372058 434713410 /nfs/dbraw/zinc/71/34/10/434713410.db2.gz FHFPBGQEEJFRSF-INIZCTEOSA-N 2 1 300.446 3.215 10 30 DGEEMP C=CCOc1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)cc1 ZINC000573229022 434884273 /nfs/dbraw/zinc/88/42/73/434884273.db2.gz OHAIVVOGIDOAFS-IPMKNSEASA-N 2 1 300.446 3.214 10 30 DGEEMP C=CCOc1ccccc1C[NH2+]CC(C)(C)C[NH+]1CCCC1 ZINC000480930615 435400959 /nfs/dbraw/zinc/40/09/59/435400959.db2.gz FAMFRVZTFSATMH-UHFFFAOYSA-N 2 1 302.462 3.463 10 30 DGEEMP C(#Cc1ccccc1)C[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309745443 655880283 /nfs/dbraw/zinc/88/02/83/655880283.db2.gz UCPGHETWXSWXNX-OAQYLSRUSA-N 2 1 304.437 3.150 10 30 DGEEMP C(#Cc1ccccc1)C[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309745443 655880284 /nfs/dbraw/zinc/88/02/84/655880284.db2.gz UCPGHETWXSWXNX-OAQYLSRUSA-N 2 1 304.437 3.150 10 30 DGEEMP CCc1nccn1[C@H]1CCC[N@@H+](Cc2ccc(C#N)cc2OC)C1 ZINC000120885379 195257251 /nfs/dbraw/zinc/25/72/51/195257251.db2.gz XOFIHFZVZMHNHN-KRWDZBQOSA-N 2 1 324.428 3.163 10 30 DGEEMP CCc1nccn1[C@H]1CCCN(Cc2ccc(C#N)cc2OC)C1 ZINC000120885379 195257253 /nfs/dbraw/zinc/25/72/53/195257253.db2.gz XOFIHFZVZMHNHN-KRWDZBQOSA-N 2 1 324.428 3.163 10 30 DGEEMP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CC#Cc1cccc(Cl)c1 ZINC000154590036 227099923 /nfs/dbraw/zinc/09/99/23/227099923.db2.gz CAUROGUPCPBOQS-GOSISDBHSA-N 2 1 313.832 3.361 10 30 DGEEMP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1CC#Cc1cccc(Cl)c1 ZINC000154590036 227099927 /nfs/dbraw/zinc/09/99/27/227099927.db2.gz CAUROGUPCPBOQS-GOSISDBHSA-N 2 1 313.832 3.361 10 30 DGEEMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CCCSCC#N)cc1 ZINC000183148047 228371011 /nfs/dbraw/zinc/37/10/11/228371011.db2.gz YBTARLVQTCBPOO-AWEZNQCLSA-N 2 1 314.458 3.478 10 30 DGEEMP C=CCOc1ccccc1C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000093597524 431916025 /nfs/dbraw/zinc/91/60/25/431916025.db2.gz SEVURNDZUWOUII-QGZVFWFLSA-N 2 1 300.446 3.169 10 30 DGEEMP C=CCOc1ccccc1C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000093597524 431916028 /nfs/dbraw/zinc/91/60/28/431916028.db2.gz SEVURNDZUWOUII-QGZVFWFLSA-N 2 1 300.446 3.169 10 30 DGEEMP C#CCOc1ccc([C@H](C)[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc1 ZINC000126549207 431953066 /nfs/dbraw/zinc/95/30/66/431953066.db2.gz PSXYDIKIIQHMTL-UXDRXVOSSA-N 2 1 312.457 3.365 10 30 DGEEMP C#CCOc1ccc([C@H](C)[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc1 ZINC000126549207 431953068 /nfs/dbraw/zinc/95/30/68/431953068.db2.gz PSXYDIKIIQHMTL-UXDRXVOSSA-N 2 1 312.457 3.365 10 30 DGEEMP C=CCOc1cccc(C[NH+](C)[C@@H]2CC[N@H+](CC)C[C@@H]2C)c1 ZINC000245690781 432856458 /nfs/dbraw/zinc/85/64/58/432856458.db2.gz BITLJLZNDAOOTR-QFBILLFUSA-N 2 1 302.462 3.414 10 30 DGEEMP C=CCOc1cccc(C[N@@H+](C)[C@@H]2CC[NH+](CC)C[C@@H]2C)c1 ZINC000245690781 432856460 /nfs/dbraw/zinc/85/64/60/432856460.db2.gz BITLJLZNDAOOTR-QFBILLFUSA-N 2 1 302.462 3.414 10 30 DGEEMP C=CCOc1cccc(C[N@H+](C)[C@@H]2CC[NH+](CC)C[C@@H]2C)c1 ZINC000245690781 432856463 /nfs/dbraw/zinc/85/64/63/432856463.db2.gz BITLJLZNDAOOTR-QFBILLFUSA-N 2 1 302.462 3.414 10 30 DGEEMP C=CC[NH+](CC=C)[C@H](CN[C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21)C(C)C ZINC000566669343 435288915 /nfs/dbraw/zinc/28/89/15/435288915.db2.gz CELUHHXSCBWOBW-MTQWCTHYSA-N 2 1 319.537 3.147 10 30 DGEEMP C=CCN(CC=C)[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21)C(C)C ZINC000566669343 435288920 /nfs/dbraw/zinc/28/89/20/435288920.db2.gz CELUHHXSCBWOBW-MTQWCTHYSA-N 2 1 319.537 3.147 10 30 DGEEMP C=CCN(CC=C)[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21)C(C)C ZINC000566669343 435288925 /nfs/dbraw/zinc/28/89/25/435288925.db2.gz CELUHHXSCBWOBW-MTQWCTHYSA-N 2 1 319.537 3.147 10 30 DGEEMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)Cc2ccn(C(C)C)n2)CC1 ZINC000341197298 526603823 /nfs/dbraw/zinc/60/38/23/526603823.db2.gz ADCBGROJFIEHFP-INIZCTEOSA-N 2 1 304.482 3.025 10 30 DGEEMP C=CCOc1ccc(C[N@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)cc1 ZINC000415038509 526865858 /nfs/dbraw/zinc/86/58/58/526865858.db2.gz HVXNTYLCAIMRLS-IEBWSBKVSA-N 2 1 300.446 3.215 10 30 DGEEMP C=CC[NH+](CC=C)[C@H](CNC(=[NH2+])Nc1cccc(C)c1)C(C)C ZINC000303881704 657571559 /nfs/dbraw/zinc/57/15/59/657571559.db2.gz HUCWPHTVMWAURD-GOSISDBHSA-N 2 1 314.477 3.420 10 30 DGEEMP C=CCC[C@@H](CC)[NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000120641280 1200162619 /nfs/dbraw/zinc/16/26/19/1200162619.db2.gz NFGJJCGSLNUXIA-MOPGFXCFSA-N 2 1 302.462 3.088 10 30 DGEEMP C=CCC[C@H](CC)[NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000120631286 1200163256 /nfs/dbraw/zinc/16/32/56/1200163256.db2.gz AEZSDHJSZTTWRD-VQTJNVASSA-N 2 1 316.489 3.478 10 30 DGEEMP Cc1cccc(NC[C@@H]2CC[N@@H+](Cc3ccc(C#N)cc3F)C2)[nH+]1 ZINC000103474003 432010109 /nfs/dbraw/zinc/01/01/09/432010109.db2.gz GZRFAJFAWBEDTK-INIZCTEOSA-N 2 1 324.403 3.335 10 30 DGEEMP Cc1nccn1-c1ccc(CN[C@@H](C)c2ccc(C#N)s2)cn1 ZINC000134791242 432085954 /nfs/dbraw/zinc/08/59/54/432085954.db2.gz IRGPQIMEQRFJCB-LBPRGKRZSA-N 2 1 323.425 3.360 10 30 DGEEMP CCc1nccn1[C@@H]1CCC[N@@H+](Cc2ccc(OC)c(C#N)c2)C1 ZINC000135056436 432096179 /nfs/dbraw/zinc/09/61/79/432096179.db2.gz XCRQWPONUQHDKQ-QGZVFWFLSA-N 2 1 324.428 3.163 10 30 DGEEMP CCc1nccn1[C@@H]1CCC[N@@H+](Cc2ccc(C#N)cc2OC)C1 ZINC000120885242 195257177 /nfs/dbraw/zinc/25/71/77/195257177.db2.gz XOFIHFZVZMHNHN-QGZVFWFLSA-N 2 1 324.428 3.163 10 30 DGEEMP CCc1nccn1[C@@H]1CCCN(Cc2ccc(C#N)cc2OC)C1 ZINC000120885242 195257178 /nfs/dbraw/zinc/25/71/78/195257178.db2.gz XOFIHFZVZMHNHN-QGZVFWFLSA-N 2 1 324.428 3.163 10 30 DGEEMP C=CC[N@H+](CCCC1CC[NH2+]CC1)Cc1cccc([N+](=O)[O-])c1 ZINC000592476610 400657268 /nfs/dbraw/zinc/65/72/68/400657268.db2.gz IQLWOOAPVIAUGF-UHFFFAOYSA-N 2 1 317.433 3.363 10 30 DGEEMP C=CC[C@@H]1CC[N@@H+](CCCN2CCN(c3ccccc3)CC2)C1 ZINC000625701837 401185533 /nfs/dbraw/zinc/18/55/33/401185533.db2.gz LQRGPATZGVGDHO-LJQANCHMSA-N 2 1 313.489 3.097 10 30 DGEEMP C=CC[NH+](CC=C)[C@H](CN[C@H]1CC[N@@H+](C)C(C)(C)C1)C(C)C ZINC000623355420 401498023 /nfs/dbraw/zinc/49/80/23/401498023.db2.gz MMTKJLBBERYUJD-ZWKOTPCHSA-N 2 1 307.526 3.147 10 30 DGEEMP C=CCN(CC=C)[C@H](C[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)C(C)C ZINC000623355420 401498027 /nfs/dbraw/zinc/49/80/27/401498027.db2.gz MMTKJLBBERYUJD-ZWKOTPCHSA-N 2 1 307.526 3.147 10 30 DGEEMP C=CCN(CC=C)[C@H](C[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)C(C)C ZINC000623355420 401498030 /nfs/dbraw/zinc/49/80/30/401498030.db2.gz MMTKJLBBERYUJD-ZWKOTPCHSA-N 2 1 307.526 3.147 10 30 DGEEMP Cc1[nH+]ccn1CCCC[NH2+][C@H](C)c1ccc(C#N)cc1F ZINC000358560550 267656041 /nfs/dbraw/zinc/65/60/41/267656041.db2.gz FCVHQPUUXMIZBQ-CYBMUJFWSA-N 2 1 300.381 3.333 10 30 DGEEMP C=CCOc1ccc(C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc1 ZINC000093596927 431915706 /nfs/dbraw/zinc/91/57/06/431915706.db2.gz XKYLDWIGGVKUIL-GOSISDBHSA-N 2 1 300.446 3.169 10 30 DGEEMP C=CCOc1ccc(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc1 ZINC000093596927 431915709 /nfs/dbraw/zinc/91/57/09/431915709.db2.gz XKYLDWIGGVKUIL-GOSISDBHSA-N 2 1 300.446 3.169 10 30 DGEEMP C=CCOc1ccccc1C[N@@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261804722 432453310 /nfs/dbraw/zinc/45/33/10/432453310.db2.gz WFWDAKMNGXMZHJ-UXHICEINSA-N 2 1 322.452 3.426 10 30 DGEEMP N#CCC1(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC000369706499 434598639 /nfs/dbraw/zinc/59/86/39/434598639.db2.gz KWLSILZETDXHBC-REPLKXPHSA-N 2 1 309.457 3.465 10 30 DGEEMP C=C[C@@H]1OCC[C@H]1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000424294317 434681195 /nfs/dbraw/zinc/68/11/95/434681195.db2.gz KNTBFNDLMYYKAI-LEAZDLGRSA-N 2 1 314.473 3.078 10 30 DGEEMP C=CCOc1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)cc1 ZINC000573229026 434884328 /nfs/dbraw/zinc/88/43/28/434884328.db2.gz OHAIVVOGIDOAFS-QRVBRYPASA-N 2 1 300.446 3.214 10 30 DGEEMP C=CCOc1ccc(C[NH+](C)[C@@H]2CC[N@H+](CC)C[C@@H]2C)cc1 ZINC000536681790 435403458 /nfs/dbraw/zinc/40/34/58/435403458.db2.gz ZQIUSMJIZLVOLN-QFBILLFUSA-N 2 1 302.462 3.414 10 30 DGEEMP C=CCOc1ccc(C[N@@H+](C)[C@@H]2CC[NH+](CC)C[C@@H]2C)cc1 ZINC000536681790 435403464 /nfs/dbraw/zinc/40/34/64/435403464.db2.gz ZQIUSMJIZLVOLN-QFBILLFUSA-N 2 1 302.462 3.414 10 30 DGEEMP C=CCOc1ccc(C[N@H+](C)[C@@H]2CC[NH+](CC)C[C@@H]2C)cc1 ZINC000536681790 435403472 /nfs/dbraw/zinc/40/34/72/435403472.db2.gz ZQIUSMJIZLVOLN-QFBILLFUSA-N 2 1 302.462 3.414 10 30 DGEEMP C=CC[N@H+](CCc1ccco1)Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000346306004 526326724 /nfs/dbraw/zinc/32/67/24/526326724.db2.gz CUEXNMCVGQCPTM-UHFFFAOYSA-N 2 1 322.412 3.399 10 30 DGEEMP Cc1cccc(NC(=[NH2+])NCCC[N@H+](C)C2CCCCC2)c1 ZINC000303869417 657568933 /nfs/dbraw/zinc/56/89/33/657568933.db2.gz AWNIILQNTLLFHT-UHFFFAOYSA-N 2 1 302.466 3.376 10 30 DGEEMP Cc1cccc(NC(=[NH2+])NC[C@@H](C)[N@H+](C)Cc2ccccc2)c1 ZINC000304757410 657648761 /nfs/dbraw/zinc/64/87/61/657648761.db2.gz OUXMMYSKOYSSLS-MRXNPFEDSA-N 2 1 310.445 3.242 10 30 DGEEMP Cc1cccc(NC(=[NH2+])NC[C@@H](C)[N@@H+](C)Cc2ccccc2)c1 ZINC000304757410 657648766 /nfs/dbraw/zinc/64/87/66/657648766.db2.gz OUXMMYSKOYSSLS-MRXNPFEDSA-N 2 1 310.445 3.242 10 30 DGEEMP C=CCC[C@@H](CCC)[NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000120648205 1200162488 /nfs/dbraw/zinc/16/24/88/1200162488.db2.gz DYEWQOJYQAQNJJ-UXHICEINSA-N 2 1 316.489 3.478 10 30 DGEEMP