smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=CCCC[NH2+]C[C@@H](C)N(C)C(=O)c1c(C)cc(C)[nH+]c1C ZINC001666957065 1197300795 /nfs/dbraw/zinc/30/07/95/1197300795.db2.gz NIHSCCGBYLQBEZ-OAHLLOKOSA-N 2 2 303.450 3.023 20 30 DGEDLP C[C@H](Nc1cccc(C[N@@H+]2CC[C@@H]([NH3+])C2)c1)c1cccc(C#N)c1 ZINC001167708750 1083142375 /nfs/dbraw/zinc/14/23/75/1083142375.db2.gz DZPVXCNBAAMFCG-HNAYVOBHSA-N 2 2 320.440 3.264 20 30 DGEDLP C[C@H](Nc1cccc(C[N@H+]2CC[C@@H]([NH3+])C2)c1)c1cccc(C#N)c1 ZINC001167708750 1083142378 /nfs/dbraw/zinc/14/23/78/1083142378.db2.gz DZPVXCNBAAMFCG-HNAYVOBHSA-N 2 2 320.440 3.264 20 30 DGEDLP C=CC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001268174178 1084284840 /nfs/dbraw/zinc/28/48/40/1084284840.db2.gz PXEOOIGVAJHRPQ-NVXWUHKLSA-N 2 2 315.461 3.023 20 30 DGEDLP C=CC[NH2+]C[C@@H](NC(=O)c1c(C)cc(C)[nH+]c1C)C1CCCC1 ZINC001484003981 1089084516 /nfs/dbraw/zinc/08/45/16/1089084516.db2.gz IAZVCFJIZVUQQP-QGZVFWFLSA-N 2 2 315.461 3.071 20 30 DGEDLP C=CCCCCC[NH2+]CCCNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001162910285 1090018859 /nfs/dbraw/zinc/01/88/59/1090018859.db2.gz JPIZWAVPCFRFKH-UHFFFAOYSA-N 2 2 317.477 3.463 20 30 DGEDLP Cc1ccc(C[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)cc1C#N ZINC001203639535 1090771110 /nfs/dbraw/zinc/77/11/10/1090771110.db2.gz LLRQNOJQDXLGOW-UHFFFAOYSA-N 2 2 308.410 3.404 20 30 DGEDLP C[N@@H+]1CCC[C@@H](C[NH+]2CCC(C#N)(c3ccccc3F)CC2)C1 ZINC001208612844 1092427419 /nfs/dbraw/zinc/42/74/19/1092427419.db2.gz FHMCQQVOWRIGRP-MRXNPFEDSA-N 2 2 315.436 3.025 20 30 DGEDLP C[N@H+]1CCC[C@@H](C[NH+]2CCC(C#N)(c3ccccc3F)CC2)C1 ZINC001208612844 1092427421 /nfs/dbraw/zinc/42/74/21/1092427421.db2.gz FHMCQQVOWRIGRP-MRXNPFEDSA-N 2 2 315.436 3.025 20 30 DGEDLP C=CCCCC[N@@H+]1CCc2c(C[NH+](C)C)nn(C(C)C)c2C1 ZINC001209200990 1092690979 /nfs/dbraw/zinc/69/09/79/1092690979.db2.gz RRDVQDWDIVQJIA-UHFFFAOYSA-N 2 2 304.482 3.240 20 30 DGEDLP C=CCCCC[N@H+]1CCc2c(C[NH+](C)C)nn(C(C)C)c2C1 ZINC001209200990 1092690982 /nfs/dbraw/zinc/69/09/82/1092690982.db2.gz RRDVQDWDIVQJIA-UHFFFAOYSA-N 2 2 304.482 3.240 20 30 DGEDLP C#CCCC[NH+]1CCC2(CCC[N@H+]2Cc2csc(C)n2)CC1 ZINC001209264031 1092720065 /nfs/dbraw/zinc/72/00/65/1092720065.db2.gz TXVVKRIQZHEFFL-UHFFFAOYSA-N 2 2 317.502 3.295 20 30 DGEDLP C#CCCC[NH+]1CCC2(CCC[N@@H+]2Cc2csc(C)n2)CC1 ZINC001209264031 1092720070 /nfs/dbraw/zinc/72/00/70/1092720070.db2.gz TXVVKRIQZHEFFL-UHFFFAOYSA-N 2 2 317.502 3.295 20 30 DGEDLP C#Cc1cc(Nc2ccc(C[NH+]3CCCCC3)c(F)c2)cc[nH+]1 ZINC001215710129 1094037738 /nfs/dbraw/zinc/03/77/38/1094037738.db2.gz NSNQOMLZJAHAGM-UHFFFAOYSA-N 2 2 309.388 3.353 20 30 DGEDLP N#Cc1ccc(O)c(C[N@@H+]2CCCC[C@@]3(CCCC[NH2+]C3)C2)c1 ZINC001222168179 1095476774 /nfs/dbraw/zinc/47/67/74/1095476774.db2.gz WQDJOTQCYDYHQO-LJQANCHMSA-N 2 2 313.445 3.010 20 30 DGEDLP N#Cc1ccc(O)c(C[N@H+]2CCCC[C@@]3(CCCC[NH2+]C3)C2)c1 ZINC001222168179 1095476781 /nfs/dbraw/zinc/47/67/81/1095476781.db2.gz WQDJOTQCYDYHQO-LJQANCHMSA-N 2 2 313.445 3.010 20 30 DGEDLP N#Cc1ccc2c(C[N@@H+]3CCC[C@@]4(CCCC[NH2+]4)C3)c[nH]c2c1 ZINC001222390619 1095587792 /nfs/dbraw/zinc/58/77/92/1095587792.db2.gz SGMHOFKGQUGPLN-IBGZPJMESA-N 2 2 308.429 3.148 20 30 DGEDLP N#Cc1ccc2c(C[N@H+]3CCC[C@@]4(CCCC[NH2+]4)C3)c[nH]c2c1 ZINC001222390619 1095587797 /nfs/dbraw/zinc/58/77/97/1095587797.db2.gz SGMHOFKGQUGPLN-IBGZPJMESA-N 2 2 308.429 3.148 20 30 DGEDLP C=CCc1cc(C)c[nH+]c1NCc1ccccc1N1CC[NH2+]CC1 ZINC001171282847 1096085849 /nfs/dbraw/zinc/08/58/49/1096085849.db2.gz GHGYVOOVQLRJBX-UHFFFAOYSA-N 2 2 322.456 3.140 20 30 DGEDLP Cc1c[nH+]ccc1O[C@@H]1CC[N@@H+]([C@H](C)Cc2ccc(C#N)cc2)C1 ZINC001172311220 1097096621 /nfs/dbraw/zinc/09/66/21/1097096621.db2.gz AFUIIOKDJDWKHM-VQIMIIECSA-N 2 2 321.424 3.346 20 30 DGEDLP Cc1c[nH+]ccc1O[C@@H]1CC[N@H+]([C@H](C)Cc2ccc(C#N)cc2)C1 ZINC001172311220 1097096627 /nfs/dbraw/zinc/09/66/27/1097096627.db2.gz AFUIIOKDJDWKHM-VQIMIIECSA-N 2 2 321.424 3.346 20 30 DGEDLP C[C@H](CCCC#N)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC001172480945 1097150191 /nfs/dbraw/zinc/15/01/91/1097150191.db2.gz YEFNFXYQUYVDJR-MRXNPFEDSA-N 2 2 310.445 3.195 20 30 DGEDLP COc1ccc(C[NH+]2CCC([NH2+][C@H](C)CCCC#N)CC2)cc1 ZINC001172482046 1097150215 /nfs/dbraw/zinc/15/02/15/1097150215.db2.gz ZVWFTHWWMQCFGK-MRXNPFEDSA-N 2 2 315.461 3.332 20 30 DGEDLP C[C@@H](CCCC#N)[NH2+][C@H](C[NH3+])c1ccc(Br)cc1 ZINC001172490069 1097167072 /nfs/dbraw/zinc/16/70/72/1097167072.db2.gz VEDWGYYNMZALDD-SMDDNHRTSA-N 2 2 310.239 3.121 20 30 DGEDLP CC1(C)[NH2+][C@@H](CC[N@H+](CCC#N)C2CCCCCCC2)CO1 ZINC001235664272 1099112155 /nfs/dbraw/zinc/11/21/55/1099112155.db2.gz POCHIKFODYDEHO-INIZCTEOSA-N 2 2 307.482 3.430 20 30 DGEDLP CC1(C)[NH2+][C@@H](CC[N@@H+](CCC#N)C2CCCCCCC2)CO1 ZINC001235664272 1099112162 /nfs/dbraw/zinc/11/21/62/1099112162.db2.gz POCHIKFODYDEHO-INIZCTEOSA-N 2 2 307.482 3.430 20 30 DGEDLP C[N@H+](Cc1ccc(-c2cc(C#N)ccn2)cc1)[C@]1(C)CCC[NH2+]C1 ZINC001236209757 1099466207 /nfs/dbraw/zinc/46/62/07/1099466207.db2.gz ZNINKJXUASRDIT-HXUWFJFHSA-N 2 2 320.440 3.194 20 30 DGEDLP C[N@@H+](Cc1ccc(-c2cc(C#N)ccn2)cc1)[C@]1(C)CCC[NH2+]C1 ZINC001236209757 1099466212 /nfs/dbraw/zinc/46/62/12/1099466212.db2.gz ZNINKJXUASRDIT-HXUWFJFHSA-N 2 2 320.440 3.194 20 30 DGEDLP C(#Cc1ccccc1)c1ccc(C[NH+]2CCC[NH2+]CCC2)s1 ZINC001236241214 1099495871 /nfs/dbraw/zinc/49/58/71/1099495871.db2.gz WRBYJHVRAZKFLV-UHFFFAOYSA-N 2 2 310.466 3.333 20 30 DGEDLP Cn1c[nH+]cc1-c1cccc(-c2cc(C#N)cc(C3C[NH2+]C3)c2)c1 ZINC001240355990 1100956689 /nfs/dbraw/zinc/95/66/89/1100956689.db2.gz MMSUSXWWJJTEPV-UHFFFAOYSA-N 2 2 314.392 3.313 20 30 DGEDLP N#Cc1ccc(-c2cccc(C[N@H+]3CC[C@H]([NH3+])C3)c2)c(Cl)c1 ZINC001244327668 1103365700 /nfs/dbraw/zinc/36/57/00/1103365700.db2.gz AMHICWQYNXVSGA-INIZCTEOSA-N 2 2 311.816 3.412 20 30 DGEDLP N#Cc1ccc(-c2cccc(C[N@@H+]3CC[C@H]([NH3+])C3)c2)c(Cl)c1 ZINC001244327668 1103365713 /nfs/dbraw/zinc/36/57/13/1103365713.db2.gz AMHICWQYNXVSGA-INIZCTEOSA-N 2 2 311.816 3.412 20 30 DGEDLP Cc1cccc(NC[C@H]2CCC[N@@H+]2Cc2ccc(C#N)c(F)c2)[nH+]1 ZINC001328775000 1104064907 /nfs/dbraw/zinc/06/49/07/1104064907.db2.gz BJTQRJSKGOYAQK-QGZVFWFLSA-N 2 2 324.403 3.477 20 30 DGEDLP Cc1cccc(NC[C@H]2CCC[N@H+]2Cc2ccc(C#N)c(F)c2)[nH+]1 ZINC001328775000 1104064922 /nfs/dbraw/zinc/06/49/22/1104064922.db2.gz BJTQRJSKGOYAQK-QGZVFWFLSA-N 2 2 324.403 3.477 20 30 DGEDLP N#CC1(c2ccccc2)CC([NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)C1 ZINC001329115900 1104159019 /nfs/dbraw/zinc/15/90/19/1104159019.db2.gz ZLGVKLHFLSIIIO-KAXARAQCSA-N 2 2 309.457 3.217 20 30 DGEDLP N#CC1(c2ccccc2)CC([NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)C1 ZINC001329115900 1104159021 /nfs/dbraw/zinc/15/90/21/1104159021.db2.gz ZLGVKLHFLSIIIO-KAXARAQCSA-N 2 2 309.457 3.217 20 30 DGEDLP CCCCCCCC[C@@H](O)C[NH2+]C[C@]1(F)CCCC[NH2+]C1 ZINC001245993727 1104349175 /nfs/dbraw/zinc/34/91/75/1104349175.db2.gz OXEJNLGEKGZQKQ-SJORKVTESA-N 2 2 302.478 3.169 20 30 DGEDLP C=CCCCC[N@@H+]1CCC[C@@]2(CC[NH+](Cc3cn[nH]c3)C2)C1 ZINC001274973992 1104564018 /nfs/dbraw/zinc/56/40/18/1104564018.db2.gz APRHREHVVHDWCT-GOSISDBHSA-N 2 2 302.466 3.054 20 30 DGEDLP C=CCCCC[N@H+]1CCC[C@@]2(CC[NH+](Cc3cn[nH]c3)C2)C1 ZINC001274973992 1104564027 /nfs/dbraw/zinc/56/40/27/1104564027.db2.gz APRHREHVVHDWCT-GOSISDBHSA-N 2 2 302.466 3.054 20 30 DGEDLP C=CCCCC[NH+]1CCC[C@@]2(CC[N@H+](Cc3cn[nH]c3)C2)C1 ZINC001274973992 1104564037 /nfs/dbraw/zinc/56/40/37/1104564037.db2.gz APRHREHVVHDWCT-GOSISDBHSA-N 2 2 302.466 3.054 20 30 DGEDLP C=CCCCC[NH+]1CCC[C@@]2(CC[N@@H+](Cc3cn[nH]c3)C2)C1 ZINC001274973992 1104564047 /nfs/dbraw/zinc/56/40/47/1104564047.db2.gz APRHREHVVHDWCT-GOSISDBHSA-N 2 2 302.466 3.054 20 30 DGEDLP CCCCCCCCC[NH+]1CC2(CCN2CCn2cc[nH+]c2)C1 ZINC001275131350 1104640719 /nfs/dbraw/zinc/64/07/19/1104640719.db2.gz BKYBRZVPOYKWFJ-UHFFFAOYSA-N 2 2 318.509 3.394 20 30 DGEDLP Cc1c[nH+]c2n1CCC21CC[NH+](Cc2cccc(C#N)c2F)CC1 ZINC001249679740 1105353093 /nfs/dbraw/zinc/35/30/93/1105353093.db2.gz DJIAUXUPWFSCHS-UHFFFAOYSA-N 2 2 324.403 3.140 20 30 DGEDLP C=CCC[C@H](O)C[NH2+]C1CC[NH+](Cc2cc(C)cc(F)c2)CC1 ZINC001252620686 1105806344 /nfs/dbraw/zinc/80/63/44/1105806344.db2.gz YFKMBWDKOGJEHQ-IBGZPJMESA-N 2 2 320.452 3.015 20 30 DGEDLP Cc1ccc(F)cc1C[NH+]1CCC([NH2+][C@H]2CC[C@@H](C#N)C2)CC1 ZINC001254649410 1106122404 /nfs/dbraw/zinc/12/24/04/1106122404.db2.gz PAUBVNALBLBOOU-BEFAXECRSA-N 2 2 315.436 3.380 20 30 DGEDLP Cc1cc(F)ccc1C[NH+]1CCC([NH2+][C@@H]2CC[C@H](C#N)C2)CC1 ZINC001254650661 1106122654 /nfs/dbraw/zinc/12/26/54/1106122654.db2.gz XBFNURONDXAGBC-HNAYVOBHSA-N 2 2 315.436 3.380 20 30 DGEDLP N#Cc1coc(C[NH2+][C@@H]2CCC[N@H+](Cc3ccccc3)CC2)c1 ZINC001255398416 1106242806 /nfs/dbraw/zinc/24/28/06/1106242806.db2.gz ULIBNTUGDGFFMC-GOSISDBHSA-N 2 2 309.413 3.296 20 30 DGEDLP N#Cc1coc(C[NH2+][C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)c1 ZINC001255398416 1106242808 /nfs/dbraw/zinc/24/28/08/1106242808.db2.gz ULIBNTUGDGFFMC-GOSISDBHSA-N 2 2 309.413 3.296 20 30 DGEDLP C=CCC[C@H](C)[NH+]1CCC2(CC1)CN(c1cccc[nH+]1)CCO2 ZINC001258727317 1106930197 /nfs/dbraw/zinc/93/01/97/1106930197.db2.gz DJZUNIAPPOBZKU-KRWDZBQOSA-N 2 2 315.461 3.108 20 30 DGEDLP C=CCC[C@H](C)[NH+]1CCn2c(C[N@@H+](C)C(C)C)cnc2[C@@H]1C ZINC001258728418 1106935555 /nfs/dbraw/zinc/93/55/55/1106935555.db2.gz OTFAKRFWFHWGJE-HOTGVXAUSA-N 2 2 304.482 3.455 20 30 DGEDLP C=CCC[C@H](C)[NH+]1CCn2c(C[N@H+](C)C(C)C)cnc2[C@@H]1C ZINC001258728418 1106935563 /nfs/dbraw/zinc/93/55/63/1106935563.db2.gz OTFAKRFWFHWGJE-HOTGVXAUSA-N 2 2 304.482 3.455 20 30 DGEDLP C=CCC[C@H](C)[N@H+]1CCn2c(C[NH+](C)C(C)C)cnc2[C@@H]1C ZINC001258728418 1106935568 /nfs/dbraw/zinc/93/55/68/1106935568.db2.gz OTFAKRFWFHWGJE-HOTGVXAUSA-N 2 2 304.482 3.455 20 30 DGEDLP C=CCC[C@H](C)[N@@H+]1CCn2c(C[NH+](C)C(C)C)cnc2[C@@H]1C ZINC001258728418 1106935576 /nfs/dbraw/zinc/93/55/76/1106935576.db2.gz OTFAKRFWFHWGJE-HOTGVXAUSA-N 2 2 304.482 3.455 20 30 DGEDLP Cc1cccc(NC[C@@H]2CCC[N@@H+]2Cc2cc(C#N)ccc2F)[nH+]1 ZINC001319609239 1108553414 /nfs/dbraw/zinc/55/34/14/1108553414.db2.gz VXYBYUKZDLWRQE-KRWDZBQOSA-N 2 2 324.403 3.477 20 30 DGEDLP Cc1cccc(NC[C@@H]2CCC[N@H+]2Cc2cc(C#N)ccc2F)[nH+]1 ZINC001319609239 1108553423 /nfs/dbraw/zinc/55/34/23/1108553423.db2.gz VXYBYUKZDLWRQE-KRWDZBQOSA-N 2 2 324.403 3.477 20 30 DGEDLP C#CC[NH+]1CCC(Nc2cc(C(C)C)[nH+]c(C(C)C)n2)CC1 ZINC001307213640 1111279961 /nfs/dbraw/zinc/27/99/61/1111279961.db2.gz KOFJDHHKWZKSMN-UHFFFAOYSA-N 2 2 300.450 3.233 20 30 DGEDLP CC[C@H]([NH2+]CCc1cn2ccccc2[nH+]1)c1ccc(C#N)cc1 ZINC000278301218 214076383 /nfs/dbraw/zinc/07/63/83/214076383.db2.gz RZFDUAHCSQTZSI-SFHVURJKSA-N 2 2 304.397 3.489 20 30 DGEDLP Cn1c2ccccc2[nH+]c1CCC[NH2+]Cc1cccc(C#N)c1 ZINC000076901278 185052885 /nfs/dbraw/zinc/05/28/85/185052885.db2.gz ZULBWSCYBHCDFV-UHFFFAOYSA-N 2 2 304.397 3.167 20 30 DGEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2cnn(Cc3ccccc3)c2)CC1 ZINC000106245713 432020147 /nfs/dbraw/zinc/02/01/47/432020147.db2.gz URGAFFXBTZPJBR-UHFFFAOYSA-N 2 2 324.472 3.062 20 30 DGEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)c2ccc(OC)c(COC)c2)CC1 ZINC000177910514 186202960 /nfs/dbraw/zinc/20/29/60/186202960.db2.gz GEENRHBINKFOIS-HNNXBMFYSA-N 2 2 318.461 3.143 20 30 DGEDLP C=C(C)C[NH+]1CCC([NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000173398502 198210072 /nfs/dbraw/zinc/21/00/72/198210072.db2.gz IXVZAVVDZQHINA-CQSZACIVSA-N 2 2 303.406 3.286 20 30 DGEDLP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000173398488 198210210 /nfs/dbraw/zinc/21/02/10/198210210.db2.gz IXVZAVVDZQHINA-AWEZNQCLSA-N 2 2 303.406 3.286 20 30 DGEDLP CC[C@H](CSC)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000182110896 199388813 /nfs/dbraw/zinc/38/88/13/199388813.db2.gz JFFSAXSLHRLYHL-QGZVFWFLSA-N 2 2 317.502 3.254 20 30 DGEDLP C#CCCOc1ccc(C[NH+]2CCC(n3cc[nH+]c3)CC2)cc1 ZINC000092648727 334979682 /nfs/dbraw/zinc/97/96/82/334979682.db2.gz LQHKENWACCVJDK-UHFFFAOYSA-N 2 2 309.413 3.122 20 30 DGEDLP C=CCc1cc(C[NH+]2CCC([NH2+]C(C)C)CC2)cc(OC)c1O ZINC000179833585 199086398 /nfs/dbraw/zinc/08/63/98/199086398.db2.gz ZOZLCCBWAVPMTI-UHFFFAOYSA-N 2 2 318.461 3.092 20 30 DGEDLP C[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc(C#N)o2)[C@H]1c1cccs1 ZINC000246060887 432090937 /nfs/dbraw/zinc/09/09/37/432090937.db2.gz DIBBJPIRORKHML-DYVFJYSZSA-N 2 2 315.442 3.385 20 30 DGEDLP C[N@H+]1CCC[C@H](C[NH2+]Cc2ccc(C#N)o2)[C@H]1c1cccs1 ZINC000246060887 432090943 /nfs/dbraw/zinc/09/09/43/432090943.db2.gz DIBBJPIRORKHML-DYVFJYSZSA-N 2 2 315.442 3.385 20 30 DGEDLP Clc1ccccc1C#CC[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000135167226 432102584 /nfs/dbraw/zinc/10/25/84/432102584.db2.gz ISHUJOCARNVVCY-KRWDZBQOSA-N 2 2 312.800 3.240 20 30 DGEDLP Clc1ccccc1C#CC[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000135167226 432102589 /nfs/dbraw/zinc/10/25/89/432102589.db2.gz ISHUJOCARNVVCY-KRWDZBQOSA-N 2 2 312.800 3.240 20 30 DGEDLP CC(C)[C@@H]1C[C@H]1C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000449550225 240280842 /nfs/dbraw/zinc/28/08/42/240280842.db2.gz AMCOEEBZSOBLGF-ICSRJNTNSA-N 2 2 311.473 3.404 20 30 DGEDLP C=C(C)C[NH+]1CCC([NH2+][C@H](C)c2cc(C(=O)OC)cs2)CC1 ZINC000286286322 335031341 /nfs/dbraw/zinc/03/13/41/335031341.db2.gz WABVLEVHXILMDO-CYBMUJFWSA-N 2 2 322.474 3.226 20 30 DGEDLP C[C@H]1C[C@H](C)C[NH+](CCC[NH2+]Cc2ccc(C#N)cc2F)C1 ZINC000343571715 254162273 /nfs/dbraw/zinc/16/22/73/254162273.db2.gz CAADZVAOIFIZJB-GJZGRUSLSA-N 2 2 303.425 3.155 20 30 DGEDLP N#Cc1c(C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)cn2ccccc12 ZINC000157298074 197177005 /nfs/dbraw/zinc/17/70/05/197177005.db2.gz PVFYXXYAIJBTIP-SFHVURJKSA-N 2 2 322.456 3.261 20 30 DGEDLP N#Cc1c(C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)cn2ccccc12 ZINC000157298074 197177007 /nfs/dbraw/zinc/17/70/07/197177007.db2.gz PVFYXXYAIJBTIP-SFHVURJKSA-N 2 2 322.456 3.261 20 30 DGEDLP COc1ccc([C@H](C[NH2+][C@@H]2CC[C@H](C#N)C2)[NH+]2CCCC2)cc1 ZINC000442633411 533183906 /nfs/dbraw/zinc/18/39/06/533183906.db2.gz IWDPRJNQXJFKEJ-WDYCEAGBSA-N 2 2 313.445 3.114 20 30 DGEDLP C[C@@H](c1ccccc1)[NH+]1CCC([NH2+]C[C@H](C#N)CCC#N)CC1 ZINC000609709229 400187855 /nfs/dbraw/zinc/18/78/55/400187855.db2.gz IIEDVELPKMCIKR-IRXDYDNUSA-N 2 2 310.445 3.245 20 30 DGEDLP C[N@@H+]1CC[C@H]([NH2+]CCc2ccc(C#N)cc2)[C@H]1c1ccccc1 ZINC000595474833 400162606 /nfs/dbraw/zinc/16/26/06/400162606.db2.gz FRQAIMSLUZGQTF-VQTJNVASSA-N 2 2 305.425 3.136 20 30 DGEDLP C[N@H+]1CC[C@H]([NH2+]CCc2ccc(C#N)cc2)[C@H]1c1ccccc1 ZINC000595474833 400162609 /nfs/dbraw/zinc/16/26/09/400162609.db2.gz FRQAIMSLUZGQTF-VQTJNVASSA-N 2 2 305.425 3.136 20 30 DGEDLP C[C@]1(C#N)CC[NH+](Cc2ccc(C[N@H+]3CC[C@](C)(C#N)C3)cc2)C1 ZINC000595841927 400279600 /nfs/dbraw/zinc/27/96/00/400279600.db2.gz WUNZBDDDMVUYJD-WOJBJXKFSA-N 2 2 322.456 3.158 20 30 DGEDLP C[C@]1(C#N)CC[NH+](Cc2ccc(C[N@@H+]3CC[C@](C)(C#N)C3)cc2)C1 ZINC000595841927 400279604 /nfs/dbraw/zinc/27/96/04/400279604.db2.gz WUNZBDDDMVUYJD-WOJBJXKFSA-N 2 2 322.456 3.158 20 30 DGEDLP C=CCOc1ccc(C[N@@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000093865693 400258219 /nfs/dbraw/zinc/25/82/19/400258219.db2.gz MZMTYMBIBCOBFL-IBGZPJMESA-N 2 2 310.397 3.300 20 30 DGEDLP C=CCOc1ccc(C[N@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000093865693 400258222 /nfs/dbraw/zinc/25/82/22/400258222.db2.gz MZMTYMBIBCOBFL-IBGZPJMESA-N 2 2 310.397 3.300 20 30 DGEDLP N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]CCc1cn2ccccc2[nH+]1 ZINC000611390601 400391341 /nfs/dbraw/zinc/39/13/41/400391341.db2.gz KGWXDMRTOSCSRY-LJQANCHMSA-N 2 2 316.408 3.416 20 30 DGEDLP Cc1cccn2cc(CC[NH2+][C@H](C)c3cccc(C#N)c3)[nH+]c12 ZINC000611438780 400401070 /nfs/dbraw/zinc/40/10/70/400401070.db2.gz PQJWANKVUJTCCA-OAHLLOKOSA-N 2 2 304.397 3.408 20 30 DGEDLP Cc1cccn2cc(CC[NH2+][C@@H](C)c3cccc(C#N)c3)[nH+]c12 ZINC000611438779 400401210 /nfs/dbraw/zinc/40/12/10/400401210.db2.gz PQJWANKVUJTCCA-HNNXBMFYSA-N 2 2 304.397 3.408 20 30 DGEDLP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](Cc2cccc(C#N)n2)C1 ZINC000602450963 400466831 /nfs/dbraw/zinc/46/68/31/400466831.db2.gz MQXJHANNWWJDLP-DLBZAZTESA-N 2 2 312.461 3.040 20 30 DGEDLP C[C@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](Cc2cccc(C#N)n2)C1 ZINC000602450963 400466832 /nfs/dbraw/zinc/46/68/32/400466832.db2.gz MQXJHANNWWJDLP-DLBZAZTESA-N 2 2 312.461 3.040 20 30 DGEDLP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](Cc2cccc(C#N)n2)C1 ZINC000602450963 400466833 /nfs/dbraw/zinc/46/68/33/400466833.db2.gz MQXJHANNWWJDLP-DLBZAZTESA-N 2 2 312.461 3.040 20 30 DGEDLP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](Cc2cccc(C#N)n2)C1 ZINC000602450963 400466834 /nfs/dbraw/zinc/46/68/34/400466834.db2.gz MQXJHANNWWJDLP-DLBZAZTESA-N 2 2 312.461 3.040 20 30 DGEDLP C[C@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccccc1)c1ccc(C#N)cc1 ZINC000596648309 400471221 /nfs/dbraw/zinc/47/12/21/400471221.db2.gz OWCOIFYVYAENRR-CWFSZBLJSA-N 2 2 305.425 3.355 20 30 DGEDLP C=CCCSCC[NH2+][C@H](c1ccc(OC)cc1)[C@H]1CCC[NH2+]1 ZINC000596650215 400471950 /nfs/dbraw/zinc/47/19/50/400471950.db2.gz JMXUUGKHRLVDHG-QZTJIDSGSA-N 2 2 320.502 3.387 20 30 DGEDLP N#Cc1cccc(C[NH+]2CCC([NH2+]C[C@H]3CC=CCC3)CC2)c1 ZINC000593686925 400891251 /nfs/dbraw/zinc/89/12/51/400891251.db2.gz ASCHENZJHBTGTQ-KRWDZBQOSA-N 2 2 309.457 3.469 20 30 DGEDLP C[C@@H]1C[C@H]([NH2+]CCc2ccc(C#N)cc2)C[N@@H+]1Cc1ccccc1 ZINC000594956279 401207530 /nfs/dbraw/zinc/20/75/30/401207530.db2.gz WMHSROSOPNPPAY-UTKZUKDTSA-N 2 2 319.452 3.353 20 30 DGEDLP C[C@@H]1C[C@H]([NH2+]CCc2ccc(C#N)cc2)C[N@H+]1Cc1ccccc1 ZINC000594956279 401207534 /nfs/dbraw/zinc/20/75/34/401207534.db2.gz WMHSROSOPNPPAY-UTKZUKDTSA-N 2 2 319.452 3.353 20 30 DGEDLP C=CCCSCC[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000594960578 401208511 /nfs/dbraw/zinc/20/85/11/401208511.db2.gz UNRJOPNOIVHCEP-UHFFFAOYSA-N 2 2 310.429 3.302 20 30 DGEDLP Cc1cc(C)c(NC(=O)N[C@H](C)C(C)(C)C[NH+](C)C)c(C)[nH+]1 ZINC000331328991 229028995 /nfs/dbraw/zinc/02/89/95/229028995.db2.gz NUTYGKXQJPBSRA-CQSZACIVSA-N 2 2 306.454 3.309 20 30 DGEDLP C=C(C)C[NH+]1CCC([NH2+][C@H](COC)c2ccc(F)c(F)c2)CC1 ZINC000182870209 432236971 /nfs/dbraw/zinc/23/69/71/432236971.db2.gz GLGJPWDMMZLZDU-GOSISDBHSA-N 2 2 324.415 3.282 20 30 DGEDLP CC[N@@H+]1CC[C@@H]([NH+](C)CC#Cc2ccc(Cl)cc2)C[C@H]1C ZINC000426452681 276213634 /nfs/dbraw/zinc/21/36/34/276213634.db2.gz YFESCRNDSFDISP-CRAIPNDOSA-N 2 2 304.865 3.496 20 30 DGEDLP CC[N@H+]1CC[C@@H]([NH+](C)CC#Cc2ccc(Cl)cc2)C[C@H]1C ZINC000426452681 276213637 /nfs/dbraw/zinc/21/36/37/276213637.db2.gz YFESCRNDSFDISP-CRAIPNDOSA-N 2 2 304.865 3.496 20 30 DGEDLP CC[NH+]1CC[C@@H]([N@H+](C)CC#Cc2ccc(Cl)cc2)C[C@H]1C ZINC000426452681 276213639 /nfs/dbraw/zinc/21/36/39/276213639.db2.gz YFESCRNDSFDISP-CRAIPNDOSA-N 2 2 304.865 3.496 20 30 DGEDLP CC[NH+]1CC[C@@H]([N@@H+](C)CC#Cc2ccc(Cl)cc2)C[C@H]1C ZINC000426452681 276213641 /nfs/dbraw/zinc/21/36/41/276213641.db2.gz YFESCRNDSFDISP-CRAIPNDOSA-N 2 2 304.865 3.496 20 30 DGEDLP CC[N@@H+]1CC[C@@H]([NH+](C)CC#Cc2cccc(Cl)c2)C[C@H]1C ZINC000437565351 276213783 /nfs/dbraw/zinc/21/37/83/276213783.db2.gz CLTDYOSLJMFANC-CRAIPNDOSA-N 2 2 304.865 3.496 20 30 DGEDLP CC[N@H+]1CC[C@@H]([NH+](C)CC#Cc2cccc(Cl)c2)C[C@H]1C ZINC000437565351 276213784 /nfs/dbraw/zinc/21/37/84/276213784.db2.gz CLTDYOSLJMFANC-CRAIPNDOSA-N 2 2 304.865 3.496 20 30 DGEDLP CC[NH+]1CC[C@@H]([N@H+](C)CC#Cc2cccc(Cl)c2)C[C@H]1C ZINC000437565351 276213785 /nfs/dbraw/zinc/21/37/85/276213785.db2.gz CLTDYOSLJMFANC-CRAIPNDOSA-N 2 2 304.865 3.496 20 30 DGEDLP CC[NH+]1CC[C@@H]([N@@H+](C)CC#Cc2cccc(Cl)c2)C[C@H]1C ZINC000437565351 276213786 /nfs/dbraw/zinc/21/37/86/276213786.db2.gz CLTDYOSLJMFANC-CRAIPNDOSA-N 2 2 304.865 3.496 20 30 DGEDLP C[N@@H+]1CCC[C@H]2C[NH+](CC#Cc3cccc(Cl)c3)CC[C@@H]21 ZINC000157170631 277083413 /nfs/dbraw/zinc/08/34/13/277083413.db2.gz BHERZXDNKYHVEK-WMZOPIPTSA-N 2 2 302.849 3.108 20 30 DGEDLP C[N@H+]1CCC[C@H]2C[NH+](CC#Cc3cccc(Cl)c3)CC[C@@H]21 ZINC000157170631 277083414 /nfs/dbraw/zinc/08/34/14/277083414.db2.gz BHERZXDNKYHVEK-WMZOPIPTSA-N 2 2 302.849 3.108 20 30 DGEDLP C[NH+]1CCC[C@H]2C[N@H+](CC#Cc3cccc(Cl)c3)CC[C@@H]21 ZINC000157170631 277083415 /nfs/dbraw/zinc/08/34/15/277083415.db2.gz BHERZXDNKYHVEK-WMZOPIPTSA-N 2 2 302.849 3.108 20 30 DGEDLP C[NH+]1CCC[C@H]2C[N@@H+](CC#Cc3cccc(Cl)c3)CC[C@@H]21 ZINC000157170631 277083416 /nfs/dbraw/zinc/08/34/16/277083416.db2.gz BHERZXDNKYHVEK-WMZOPIPTSA-N 2 2 302.849 3.108 20 30 DGEDLP C#CCCOc1ccc(C[NH2+]CCc2cn3ccccc3[nH+]2)cc1 ZINC000113319380 431342375 /nfs/dbraw/zinc/34/23/75/431342375.db2.gz YWQZHZJLZSKYQG-UHFFFAOYSA-N 2 2 319.408 3.069 20 30 DGEDLP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]CC#Cc1ccc(C(F)(F)F)cc1 ZINC000090180659 431889908 /nfs/dbraw/zinc/88/99/08/431889908.db2.gz LPJLVHQGLYYDMX-CKEIUWERSA-N 2 2 324.390 3.375 20 30 DGEDLP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CC#Cc1ccc(C(F)(F)F)cc1 ZINC000090180659 431889910 /nfs/dbraw/zinc/88/99/10/431889910.db2.gz LPJLVHQGLYYDMX-CKEIUWERSA-N 2 2 324.390 3.375 20 30 DGEDLP CC[C@@H](C[NH2+]Cc1cccc(C#N)c1)[N@@H+]1CCc2ccccc2C1 ZINC000046836624 431901381 /nfs/dbraw/zinc/90/13/81/431901381.db2.gz HYFYPULBUBMDPG-NRFANRHFSA-N 2 2 319.452 3.485 20 30 DGEDLP CC[C@@H](C[NH2+]Cc1cccc(C#N)c1)[N@H+]1CCc2ccccc2C1 ZINC000046836624 431901383 /nfs/dbraw/zinc/90/13/83/431901383.db2.gz HYFYPULBUBMDPG-NRFANRHFSA-N 2 2 319.452 3.485 20 30 DGEDLP CC[C@H]([NH2+]CCC[NH+]1C[C@@H](C)O[C@H](C)C1)c1ccc(C#N)cc1 ZINC000278317395 280936445 /nfs/dbraw/zinc/93/64/45/280936445.db2.gz UQZGQNSJZFNBEQ-MDZRGWNJSA-N 2 2 315.461 3.098 20 30 DGEDLP N#CC1(c2ccccc2)CCC([NH2+]CC[NH+]2CCCCC2)CC1 ZINC000271064436 432325097 /nfs/dbraw/zinc/32/50/97/432325097.db2.gz IIOKUIOKGKEBSI-UHFFFAOYSA-N 2 2 311.473 3.466 20 30 DGEDLP C[C@H](c1ccccc1)[NH+]1CCC([NH2+]Cc2ccc(C#N)o2)CC1 ZINC000174402557 432343927 /nfs/dbraw/zinc/34/39/27/432343927.db2.gz AOPATSLCCDXADK-OAHLLOKOSA-N 2 2 309.413 3.466 20 30 DGEDLP N#C[C@H]1CCC[C@H]([NH2+]CCc2[nH+]ccn2Cc2ccccc2)C1 ZINC000192647446 432397003 /nfs/dbraw/zinc/39/70/03/432397003.db2.gz MWOYISIPLUUPRW-ROUUACIJSA-N 2 2 308.429 3.146 20 30 DGEDLP CCc1cccc(NC(=[NH2+])NC[C@@H](c2ccsc2)[NH+](C)C)c1 ZINC000264089976 432613945 /nfs/dbraw/zinc/61/39/45/432613945.db2.gz KQTIRUGYMNQCPH-INIZCTEOSA-N 2 2 316.474 3.340 20 30 DGEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CSCCc3ccccc32)CC1 ZINC000177911795 432673540 /nfs/dbraw/zinc/67/35/40/432673540.db2.gz QPLSQNPQQPIREK-GOSISDBHSA-N 2 2 302.487 3.257 20 30 DGEDLP Cc1cc[nH+]cc1CCC[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000289028094 432914814 /nfs/dbraw/zinc/91/48/14/432914814.db2.gz GVBVVTCJZREQSQ-UHFFFAOYSA-N 2 2 320.440 3.017 20 30 DGEDLP C=C(C)[C@H]1OCC[C@@H]1C[NH2+]Cc1c[nH+]c(C)n1-c1ccccc1 ZINC000280642527 433120134 /nfs/dbraw/zinc/12/01/34/433120134.db2.gz NIGRPEQXZDDADV-VQIMIIECSA-N 2 2 311.429 3.252 20 30 DGEDLP C=C[C@H]1CCCC[N@@H+]1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420919839 433312731 /nfs/dbraw/zinc/31/27/31/433312731.db2.gz ILEHVXSXKZRMPH-IBGZPJMESA-N 2 2 300.446 3.059 20 30 DGEDLP C=C[C@H]1CCCC[N@H+]1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420919839 433312743 /nfs/dbraw/zinc/31/27/43/433312743.db2.gz ILEHVXSXKZRMPH-IBGZPJMESA-N 2 2 300.446 3.059 20 30 DGEDLP Cn1c(CCC[NH2+]Cc2ccc(C#N)c(F)c2)[nH+]c2ccccc21 ZINC000421343608 433487742 /nfs/dbraw/zinc/48/77/42/433487742.db2.gz NWCHKPZLAXTHBO-UHFFFAOYSA-N 2 2 322.387 3.306 20 30 DGEDLP N#Cc1ccc(C[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)s1 ZINC000421353025 433496963 /nfs/dbraw/zinc/49/69/63/433496963.db2.gz RSSBUGLOWRMVCP-UHFFFAOYSA-N 2 2 317.380 3.126 20 30 DGEDLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+]CC1CCC(C#N)CC1 ZINC000282525825 433613628 /nfs/dbraw/zinc/61/36/28/433613628.db2.gz YPQFCKYUPSPSKZ-KMEYYKJISA-N 2 2 311.473 3.426 20 30 DGEDLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+]CC1CCC(C#N)CC1 ZINC000282525825 433613633 /nfs/dbraw/zinc/61/36/33/433613633.db2.gz YPQFCKYUPSPSKZ-KMEYYKJISA-N 2 2 311.473 3.426 20 30 DGEDLP C=CC[NH+]1CCC([NH2+][C@H](C)c2cnc(OC)c(Cl)c2)CC1 ZINC000284254651 433866575 /nfs/dbraw/zinc/86/65/75/433866575.db2.gz IRJMWUHFKBZCFD-GFCCVEGCSA-N 2 2 309.841 3.045 20 30 DGEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)c2cnc(OC)c(Cl)c2)CC1 ZINC000284254656 433869956 /nfs/dbraw/zinc/86/99/56/433869956.db2.gz IRJMWUHFKBZCFD-LBPRGKRZSA-N 2 2 309.841 3.045 20 30 DGEDLP C=C(C)CC[NH+](C)C[C@@H]1CCC[N@@H+](CC)[C@H]1c1cnn(C)c1 ZINC000352414101 434043331 /nfs/dbraw/zinc/04/33/31/434043331.db2.gz RYEDJWPNAFWRCA-FUHWJXTLSA-N 2 2 304.482 3.091 20 30 DGEDLP C=C(C)CC[NH+](C)C[C@@H]1CCC[N@H+](CC)[C@H]1c1cnn(C)c1 ZINC000352414101 434043339 /nfs/dbraw/zinc/04/33/39/434043339.db2.gz RYEDJWPNAFWRCA-FUHWJXTLSA-N 2 2 304.482 3.091 20 30 DGEDLP C=C(C)CC[N@@H+](C)C[C@@H]1CCC[NH+](CC)[C@H]1c1cnn(C)c1 ZINC000352414101 434043347 /nfs/dbraw/zinc/04/33/47/434043347.db2.gz RYEDJWPNAFWRCA-FUHWJXTLSA-N 2 2 304.482 3.091 20 30 DGEDLP C=C(C)CC[N@H+](C)C[C@@H]1CCC[NH+](CC)[C@H]1c1cnn(C)c1 ZINC000352414101 434043352 /nfs/dbraw/zinc/04/33/52/434043352.db2.gz RYEDJWPNAFWRCA-FUHWJXTLSA-N 2 2 304.482 3.091 20 30 DGEDLP C=C(C)C[NH+](CC[C@@H]1CCCC[N@H+]1C)Cc1ccc(CO)o1 ZINC000352800298 434051683 /nfs/dbraw/zinc/05/16/83/434051683.db2.gz HOSVHMOPBUXNNR-INIZCTEOSA-N 2 2 306.450 3.024 20 30 DGEDLP C=C(C)C[NH+](CC[C@@H]1CCCC[N@@H+]1C)Cc1ccc(CO)o1 ZINC000352800298 434051688 /nfs/dbraw/zinc/05/16/88/434051688.db2.gz HOSVHMOPBUXNNR-INIZCTEOSA-N 2 2 306.450 3.024 20 30 DGEDLP C=C(C)C[N@@H+](CC[C@@H]1CCCC[NH+]1C)Cc1ccc(CO)o1 ZINC000352800298 434051696 /nfs/dbraw/zinc/05/16/96/434051696.db2.gz HOSVHMOPBUXNNR-INIZCTEOSA-N 2 2 306.450 3.024 20 30 DGEDLP C=C(C)C[N@H+](CC[C@@H]1CCCC[NH+]1C)Cc1ccc(CO)o1 ZINC000352800298 434051702 /nfs/dbraw/zinc/05/17/02/434051702.db2.gz HOSVHMOPBUXNNR-INIZCTEOSA-N 2 2 306.450 3.024 20 30 DGEDLP C=CC[NH+](CC=C)[C@H](CNc1cc(C)[nH+]c(C2CC2)n1)C(C)C ZINC000346670939 434260036 /nfs/dbraw/zinc/26/00/36/434260036.db2.gz LKXVBCXFPLGXIM-QGZVFWFLSA-N 2 2 314.477 3.773 20 30 DGEDLP COc1cc(C[NH2+]Cc2cccc(-n3cc[nH+]c3)c2)ccc1C#N ZINC000440815125 434748062 /nfs/dbraw/zinc/74/80/62/434748062.db2.gz RVWMXYSZECYGDS-UHFFFAOYSA-N 2 2 318.380 3.042 20 30 DGEDLP N#Cc1ccc(C[NH+]2CCC(Nc3cccc[nH+]3)CC2)cc1F ZINC000555445736 434973743 /nfs/dbraw/zinc/97/37/43/434973743.db2.gz MZDFPNFXBCMEOM-UHFFFAOYSA-N 2 2 310.376 3.169 20 30 DGEDLP C=CCOc1cccc(C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)c1 ZINC000655857569 435849818 /nfs/dbraw/zinc/84/98/18/435849818.db2.gz WCKVWTVUXPAMRD-RBUKOAKNSA-N 2 2 300.446 3.358 20 30 DGEDLP C=CCOc1cccc(C[NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)c1 ZINC000655857569 435849824 /nfs/dbraw/zinc/84/98/24/435849824.db2.gz WCKVWTVUXPAMRD-RBUKOAKNSA-N 2 2 300.446 3.358 20 30 DGEDLP C=CC[NH+]1CCC([NH2+]Cc2cccc(OC3CC3)c2F)CC1 ZINC000657352236 436155723 /nfs/dbraw/zinc/15/57/23/436155723.db2.gz GNIPJTFQOHWEOS-UHFFFAOYSA-N 2 2 304.409 3.107 20 30 DGEDLP Cc1cc(C)c(NC(=O)N[C@H](C)C[NH+]2CCCCC2)c(C)[nH+]1 ZINC000331231656 301183305 /nfs/dbraw/zinc/18/33/05/301183305.db2.gz IHPXNTOJUHTECK-CQSZACIVSA-N 2 2 304.438 3.207 20 30 DGEDLP C=CCOCCC[NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000657659230 436270306 /nfs/dbraw/zinc/27/03/06/436270306.db2.gz SLELDVMVWSFUTR-UHFFFAOYSA-N 2 2 322.880 3.487 20 30 DGEDLP C=CCC[C@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1ccco1 ZINC000658293777 436420275 /nfs/dbraw/zinc/42/02/75/436420275.db2.gz CCVODFURHKIZJQ-IRXDYDNUSA-N 2 2 304.434 3.130 20 30 DGEDLP C=CCC[C@@H](CCC)[NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000559898972 332290485 /nfs/dbraw/zinc/29/04/85/332290485.db2.gz IQNMRKRSASEUCT-WOJBJXKFSA-N 2 2 316.489 3.130 20 30 DGEDLP C=CCC[C@@H](CCC)[NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000559898972 332290487 /nfs/dbraw/zinc/29/04/87/332290487.db2.gz IQNMRKRSASEUCT-WOJBJXKFSA-N 2 2 316.489 3.130 20 30 DGEDLP CC[C@H](CC#N)[NH2+]Cc1ccc(F)c(C[NH2+][C@H](CC)CC#N)c1 ZINC000567121352 341581532 /nfs/dbraw/zinc/58/15/32/341581532.db2.gz CGLLFYPUEKTQMM-IAGOWNOFSA-N 2 2 316.424 3.389 20 30 DGEDLP C[C@H]([NH2+]CCc1cn2ccccc2[nH+]1)c1ccc(OCC#N)cc1 ZINC000181456657 533874283 /nfs/dbraw/zinc/87/42/83/533874283.db2.gz GOPMDHQDSAJBMW-HNNXBMFYSA-N 2 2 320.396 3.130 20 30 DGEDLP C[C@@H]1C[C@H]([NH2+]Cc2ccc(C#N)cc2)C[N@@H+]1Cc1ccccc1 ZINC000176624882 533954115 /nfs/dbraw/zinc/95/41/15/533954115.db2.gz NIKXYGDOVDXYMN-UZLBHIALSA-N 2 2 305.425 3.311 20 30 DGEDLP C[C@@H]1C[C@H]([NH2+]Cc2ccc(C#N)cc2)C[N@H+]1Cc1ccccc1 ZINC000176624882 533954126 /nfs/dbraw/zinc/95/41/26/533954126.db2.gz NIKXYGDOVDXYMN-UZLBHIALSA-N 2 2 305.425 3.311 20 30 DGEDLP CC(C)(CCC#N)C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000348243603 526997855 /nfs/dbraw/zinc/99/78/55/526997855.db2.gz LTJPDVOHSAIQLA-UHFFFAOYSA-N 2 2 305.388 3.323 20 30 DGEDLP C=CCC(C)(C)C[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000340427803 527020237 /nfs/dbraw/zinc/02/02/37/527020237.db2.gz SUIFRBZUYBVZJD-WMZOPIPTSA-N 2 2 301.478 3.484 20 30 DGEDLP C=CCC(C)(C)C[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000340427803 527020241 /nfs/dbraw/zinc/02/02/41/527020241.db2.gz SUIFRBZUYBVZJD-WMZOPIPTSA-N 2 2 301.478 3.484 20 30 DGEDLP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2cc(Cl)ccc2OCC#N)C1 ZINC000744423698 575341475 /nfs/dbraw/zinc/34/14/75/575341475.db2.gz OGIYBHAOJBZLNK-AWEZNQCLSA-N 2 2 321.852 3.016 20 30 DGEDLP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cc(Cl)ccc2OCC#N)C1 ZINC000744423698 575341477 /nfs/dbraw/zinc/34/14/77/575341477.db2.gz OGIYBHAOJBZLNK-AWEZNQCLSA-N 2 2 321.852 3.016 20 30 DGEDLP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2cc(Cl)ccc2OCC#N)C1 ZINC000744423698 575341480 /nfs/dbraw/zinc/34/14/80/575341480.db2.gz OGIYBHAOJBZLNK-AWEZNQCLSA-N 2 2 321.852 3.016 20 30 DGEDLP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cc(Cl)ccc2OCC#N)C1 ZINC000744423698 575341482 /nfs/dbraw/zinc/34/14/82/575341482.db2.gz OGIYBHAOJBZLNK-AWEZNQCLSA-N 2 2 321.852 3.016 20 30 DGEDLP CCc1ccc(CO[NH+]=C(N)c2ccc(C[NH+](C)C)cc2)cc1 ZINC000747838990 575545628 /nfs/dbraw/zinc/54/56/28/575545628.db2.gz VNGYVOGGKCKWSN-UHFFFAOYSA-N 2 2 311.429 3.148 20 30 DGEDLP N#Cc1ccc2c(c1)CCC[C@H]2[NH2+][C@@H]1Cc2ccccc2[C@H]1[NH3+] ZINC000902436657 619635667 /nfs/dbraw/zinc/63/56/67/619635667.db2.gz FGRYQBFZFXJPRB-VAMGGRTRSA-N 2 2 303.409 3.150 20 30 DGEDLP N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H]1Cc2ccccc2[C@H]1[NH3+] ZINC000902436658 619635777 /nfs/dbraw/zinc/63/57/77/619635777.db2.gz FGRYQBFZFXJPRB-XUVXKRRUSA-N 2 2 303.409 3.150 20 30 DGEDLP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1)c1cccc(C#N)c1O ZINC000866392741 622109887 /nfs/dbraw/zinc/10/98/87/622109887.db2.gz GHTMHCOMFQEWDF-ZBFHGGJFSA-N 2 2 313.445 3.036 20 30 DGEDLP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1)c1cccc(C#N)c1O ZINC000866392741 622109889 /nfs/dbraw/zinc/10/98/89/622109889.db2.gz GHTMHCOMFQEWDF-ZBFHGGJFSA-N 2 2 313.445 3.036 20 30 DGEDLP Cc1ccc(N[NH+]=Cc2ccc(N3CC[NH+](C)CC3)cc2)cc1 ZINC000771551726 622775293 /nfs/dbraw/zinc/77/52/93/622775293.db2.gz FFVZGMIYDNXWRE-UHFFFAOYSA-N 2 2 308.429 3.193 20 30 DGEDLP CC(C)(C)[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1cccc(F)c1C#N ZINC000873021571 623019377 /nfs/dbraw/zinc/01/93/77/623019377.db2.gz LHWPDFIXIFSZHE-MRXNPFEDSA-N 2 2 300.381 3.098 20 30 DGEDLP C[C@H]([NH2+]C[C@@H]1CCC(C)(C)C[NH2+]1)c1ccc(OCC#N)cc1 ZINC000873238088 623086964 /nfs/dbraw/zinc/08/69/64/623086964.db2.gz WZYVIAVCHRVASM-HOCLYGCPSA-N 2 2 301.434 3.018 20 30 DGEDLP C=CC[NH+]1CCC([NH2+]Cc2cc(C)cc(Br)c2)CC1 ZINC000774987899 623213686 /nfs/dbraw/zinc/21/36/86/623213686.db2.gz CLHSWLYEDDFHOF-UHFFFAOYSA-N 2 2 323.278 3.498 20 30 DGEDLP C[C@@H]1C[C@H]([NH2+]Cc2ccc(C#N)cn2)CC[N@@H+]1Cc1ccccc1 ZINC000783300988 624336556 /nfs/dbraw/zinc/33/65/56/624336556.db2.gz RVCSDNYFOKQNMY-VQIMIIECSA-N 2 2 320.440 3.096 20 30 DGEDLP C[C@@H]1C[C@H]([NH2+]Cc2ccc(C#N)cn2)CC[N@H+]1Cc1ccccc1 ZINC000783300988 624336557 /nfs/dbraw/zinc/33/65/57/624336557.db2.gz RVCSDNYFOKQNMY-VQIMIIECSA-N 2 2 320.440 3.096 20 30 DGEDLP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(C#N)cn2)CC[N@@H+]1Cc1ccccc1 ZINC000783300981 624336703 /nfs/dbraw/zinc/33/67/03/624336703.db2.gz RVCSDNYFOKQNMY-APWZRJJASA-N 2 2 320.440 3.096 20 30 DGEDLP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(C#N)cn2)CC[N@H+]1Cc1ccccc1 ZINC000783300981 624336705 /nfs/dbraw/zinc/33/67/05/624336705.db2.gz RVCSDNYFOKQNMY-APWZRJJASA-N 2 2 320.440 3.096 20 30 DGEDLP N#CCOc1ccc(C[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)cc1 ZINC000784534211 624543153 /nfs/dbraw/zinc/54/31/53/624543153.db2.gz IWXNHIZPBCFCDO-UHFFFAOYSA-N 2 2 324.409 3.126 20 30 DGEDLP C[NH+](C)C1CCN(c2ccc([NH2+][C@H]3CC[C@@H](C#N)C3)cc2)CC1 ZINC000799723091 626324506 /nfs/dbraw/zinc/32/45/06/626324506.db2.gz ZCAHZESCRKVPOZ-WBVHZDCISA-N 2 2 312.461 3.321 20 30 DGEDLP C#CC[N@H+](C)CCCNc1[nH+]cccc1OCc1ccccc1 ZINC000814929288 627609271 /nfs/dbraw/zinc/60/92/71/627609271.db2.gz HRUODXVWGXDLGE-UHFFFAOYSA-N 2 2 309.413 3.028 20 30 DGEDLP C#CC[N@@H+](C)CCCNc1[nH+]cccc1OCc1ccccc1 ZINC000814929288 627609276 /nfs/dbraw/zinc/60/92/76/627609276.db2.gz HRUODXVWGXDLGE-UHFFFAOYSA-N 2 2 309.413 3.028 20 30 DGEDLP N#Cc1ccc(C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)cc1Cl ZINC000926369614 627885751 /nfs/dbraw/zinc/88/57/51/627885751.db2.gz HFZGKIDNEUSGNP-DLBZAZTESA-N 2 2 303.837 3.318 20 30 DGEDLP N#Cc1ccc(C[NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)cc1Cl ZINC000926369614 627885755 /nfs/dbraw/zinc/88/57/55/627885755.db2.gz HFZGKIDNEUSGNP-DLBZAZTESA-N 2 2 303.837 3.318 20 30 DGEDLP CC[C@H](C#N)Oc1cccc(C[NH2+][C@H](C)c2c[nH+]ccc2N)c1 ZINC000817917944 627961395 /nfs/dbraw/zinc/96/13/95/627961395.db2.gz JKRRTZBRIXXYRN-UKRRQHHQSA-N 2 2 310.401 3.026 20 30 DGEDLP C=CCOCC[NH+]1CCC(c2ccccc2)([NH+]2CCCC2)CC1 ZINC000933551145 655719682 /nfs/dbraw/zinc/71/96/82/655719682.db2.gz UMLWXCQIWALHFN-UHFFFAOYSA-N 2 2 314.473 3.276 20 30 DGEDLP CC[NH+](CC)[C@@H](CNC(=[NH2+])NC1CCCCCC1)c1ccco1 ZINC000305744227 657996290 /nfs/dbraw/zinc/99/62/90/657996290.db2.gz LFLDZCXHCFRMAO-INIZCTEOSA-N 2 2 320.481 3.290 20 30 DGEDLP C[NH2+]CCC[N@H+](Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC001578687207 1191951763 /nfs/dbraw/zinc/95/17/63/1191951763.db2.gz ROGVNGAJWBGMBC-UHFFFAOYSA-N 2 2 311.404 3.309 20 30 DGEDLP C[NH2+]CCC[N@@H+](Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC001578687207 1191951767 /nfs/dbraw/zinc/95/17/67/1191951767.db2.gz ROGVNGAJWBGMBC-UHFFFAOYSA-N 2 2 311.404 3.309 20 30 DGEDLP Cc1cc(C#N)cc(C)c1C[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC001333158933 1178565770 /nfs/dbraw/zinc/56/57/70/1178565770.db2.gz XTWKKONTAMXOAS-KRWDZBQOSA-N 2 2 322.456 3.363 20 30 DGEDLP Cc1cc(C#N)cc(C)c1C[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC001333158933 1178565774 /nfs/dbraw/zinc/56/57/74/1178565774.db2.gz XTWKKONTAMXOAS-KRWDZBQOSA-N 2 2 322.456 3.363 20 30 DGEDLP C[C@@H](CC(C)(C)C#N)[NH2+]c1ccc(N2CC[NH+](C)CC2)cc1 ZINC001335394186 1178903743 /nfs/dbraw/zinc/90/37/43/1178903743.db2.gz QITANVKAEIGQGO-HNNXBMFYSA-N 2 2 300.450 3.179 20 30 DGEDLP CCCCCCCC[C@@H]([NH3+])C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC001353495303 1180570913 /nfs/dbraw/zinc/57/09/13/1180570913.db2.gz LQEGLWMZLSIREQ-JKSUJKDBSA-N 2 2 320.481 3.194 20 30 DGEDLP C#CCOCC[N@@H+](CCC)C1CC[NH+](Cc2ccccc2)CC1 ZINC001460933089 1182742026 /nfs/dbraw/zinc/74/20/26/1182742026.db2.gz IVWHWCPXYWQTTQ-UHFFFAOYSA-N 2 2 314.473 3.013 20 30 DGEDLP C#CCOCC[N@H+](CCC)C1CC[NH+](Cc2ccccc2)CC1 ZINC001460933089 1182742030 /nfs/dbraw/zinc/74/20/30/1182742030.db2.gz IVWHWCPXYWQTTQ-UHFFFAOYSA-N 2 2 314.473 3.013 20 30 DGEDLP CC(C)(C)n1c[nH+]cc1[C@H]1CCC[N@H+](CCCSCC#N)C1 ZINC001460971227 1182749103 /nfs/dbraw/zinc/74/91/03/1182749103.db2.gz HKGZXEVHFDHLNA-HNNXBMFYSA-N 2 2 320.506 3.464 20 30 DGEDLP CC(C)(C)n1c[nH+]cc1[C@H]1CCC[N@@H+](CCCSCC#N)C1 ZINC001460971227 1182749107 /nfs/dbraw/zinc/74/91/07/1182749107.db2.gz HKGZXEVHFDHLNA-HNNXBMFYSA-N 2 2 320.506 3.464 20 30 DGEDLP C=CCCC[NH2+]C[C@@H]1CCCN1C(=O)c1c(C)cc(C)[nH+]c1C ZINC001499913093 1185715788 /nfs/dbraw/zinc/71/57/88/1185715788.db2.gz VAWYXWJSGKVCMK-KRWDZBQOSA-N 2 2 315.461 3.167 20 30 DGEDLP C=C(C)C[NH2+]CCC[C@@H](C)NC(=O)c1c(C)cc(C)[nH+]c1C ZINC001506931250 1186315588 /nfs/dbraw/zinc/31/55/88/1186315588.db2.gz OLFJMVCFXIUZJQ-CQSZACIVSA-N 2 2 303.450 3.071 20 30 DGEDLP C=CCC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)c1c(C)cc(C)[nH+]c1C ZINC001568532732 1190560173 /nfs/dbraw/zinc/56/01/73/1190560173.db2.gz IMVRPUWZPOSWRS-DLBZAZTESA-N 2 2 315.461 3.071 20 30 DGEDLP C=CC[NH+]1CCC([NH2+]C2CCC3(COC(C)(C)C3)CC2)CC1 ZINC001655529298 1195928001 /nfs/dbraw/zinc/92/80/01/1195928001.db2.gz SMYXJLVKWWDBBW-UHFFFAOYSA-N 2 2 306.494 3.354 20 30 DGEDLP Cn1c[nH+]cc1C1CC[NH+](CCC2(C#N)CCCCC2)CC1 ZINC001655908450 1195976707 /nfs/dbraw/zinc/97/67/07/1195976707.db2.gz XOJUKOWSQZCJLZ-UHFFFAOYSA-N 2 2 300.450 3.464 20 30 DGEDLP C=CC[NH+]1CCC([NH2+]Cc2cnc(-c3ccc(C)o3)s2)CC1 ZINC001656342256 1196031553 /nfs/dbraw/zinc/03/15/53/1196031553.db2.gz BNBPWBPXWXXHRL-UHFFFAOYSA-N 2 2 317.458 3.452 20 30 DGEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CCCc3c(cccc3OC)C2)CC1 ZINC001657104713 1196106230 /nfs/dbraw/zinc/10/62/30/1196106230.db2.gz BEQKBHCTGSVQKP-GOSISDBHSA-N 2 2 314.473 3.183 20 30 DGEDLP C=CC[N@H+](Cc1ccnn1-c1cc[nH+]cc1)Cc1ccccc1 ZINC001658927767 1196320894 /nfs/dbraw/zinc/32/08/94/1196320894.db2.gz ZMBVJFCCUGFAQE-UHFFFAOYSA-N 2 2 304.397 3.456 20 30 DGEDLP C=CC[N@@H+](Cc1ccnn1-c1cc[nH+]cc1)Cc1ccccc1 ZINC001658927767 1196320896 /nfs/dbraw/zinc/32/08/96/1196320896.db2.gz ZMBVJFCCUGFAQE-UHFFFAOYSA-N 2 2 304.397 3.456 20 30 DGEDLP C=CCC[C@@H](C)[NH2+][C@@H](CC)CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001665810130 1197200616 /nfs/dbraw/zinc/20/06/16/1197200616.db2.gz OYKDVIFESWMIHJ-HIFRSBDPSA-N 2 2 314.433 3.016 20 30 DGEDLP C=CCC[C@@H](C)[NH2+][C@H](C)CCNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001753010077 1202055930 /nfs/dbraw/zinc/05/59/30/1202055930.db2.gz ZRGQDYFIPQDVGG-HUUCEWRRSA-N 2 2 317.477 3.460 20 30 DGEDLP C=CC[N@H+]1CCC[C@H]1CCCNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001714522379 1202977587 /nfs/dbraw/zinc/97/75/87/1202977587.db2.gz QJGXAJUKHMDDEE-QGZVFWFLSA-N 2 2 315.461 3.167 20 30 DGEDLP C=CC[N@@H+]1CCC[C@H]1CCCNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001714522379 1202977590 /nfs/dbraw/zinc/97/75/90/1202977590.db2.gz QJGXAJUKHMDDEE-QGZVFWFLSA-N 2 2 315.461 3.167 20 30 DGEDLP C=CCC[N@@H+](C)C[C@H]1CCCN1C(=O)c1c(C)cc(C)[nH+]c1C ZINC001725040445 1204084414 /nfs/dbraw/zinc/08/44/14/1204084414.db2.gz GDTBTWIDRDOJFT-QGZVFWFLSA-N 2 2 315.461 3.119 20 30 DGEDLP C=CCC[N@H+](C)C[C@H]1CCCN1C(=O)c1c(C)cc(C)[nH+]c1C ZINC001725040445 1204084416 /nfs/dbraw/zinc/08/44/16/1204084416.db2.gz GDTBTWIDRDOJFT-QGZVFWFLSA-N 2 2 315.461 3.119 20 30 DGEDLP N#Cc1ccc2c(c1)C[N@H+](C1C[C@H]3CC[C@@H](C1)[NH+]3CC1CC1)CC2 ZINC001167985621 1085975695 /nfs/dbraw/zinc/97/56/95/1085975695.db2.gz YWLKGWRUELMUCL-WCRBZPEASA-N 2 2 321.468 3.322 20 30 DGEDLP N#Cc1ccc2c(c1)C[N@@H+](C1C[C@H]3CC[C@@H](C1)[NH+]3CC1CC1)CC2 ZINC001167985621 1085975704 /nfs/dbraw/zinc/97/57/04/1085975704.db2.gz YWLKGWRUELMUCL-WCRBZPEASA-N 2 2 321.468 3.322 20 30 DGEDLP N#Cc1ccc2c(c1)C[NH+](C1C[C@H]3CC[C@@H](C1)[N@H+]3CC1CC1)CC2 ZINC001167985621 1085975714 /nfs/dbraw/zinc/97/57/14/1085975714.db2.gz YWLKGWRUELMUCL-WCRBZPEASA-N 2 2 321.468 3.322 20 30 DGEDLP N#Cc1ccc2c(c1)C[NH+](C1C[C@H]3CC[C@@H](C1)[N@@H+]3CC1CC1)CC2 ZINC001167985621 1085975725 /nfs/dbraw/zinc/97/57/25/1085975725.db2.gz YWLKGWRUELMUCL-WCRBZPEASA-N 2 2 321.468 3.322 20 30 DGEDLP CC[N@H+](C)c1ccc(Nc2cc(C#N)cc(C3C[NH2+]C3)c2)cc1 ZINC001160371895 1088768331 /nfs/dbraw/zinc/76/83/31/1088768331.db2.gz JZMUDQWZKJMGIF-UHFFFAOYSA-N 2 2 306.413 3.445 20 30 DGEDLP CC[N@@H+](C)c1ccc(Nc2cc(C#N)cc(C3C[NH2+]C3)c2)cc1 ZINC001160371895 1088768345 /nfs/dbraw/zinc/76/83/45/1088768345.db2.gz JZMUDQWZKJMGIF-UHFFFAOYSA-N 2 2 306.413 3.445 20 30 DGEDLP C[C@H]1C[NH2+]CC[N@H+](Cc2ccc(Oc3ccc(C#N)cc3)cc2)C1 ZINC001206276305 1091559543 /nfs/dbraw/zinc/55/95/43/1091559543.db2.gz DXZDEWOKLYHAFX-INIZCTEOSA-N 2 2 321.424 3.392 20 30 DGEDLP C[C@H]1C[NH2+]CC[N@@H+](Cc2ccc(Oc3ccc(C#N)cc3)cc2)C1 ZINC001206276305 1091559549 /nfs/dbraw/zinc/55/95/49/1091559549.db2.gz DXZDEWOKLYHAFX-INIZCTEOSA-N 2 2 321.424 3.392 20 30 DGEDLP N#Cc1ccc2[nH]cc(C[NH+]3CCC([NH+]4CCCCC4)CC3)c2c1 ZINC001140111191 1091773065 /nfs/dbraw/zinc/77/30/65/1091773065.db2.gz FFKSBGXAQKLWMZ-UHFFFAOYSA-N 2 2 322.456 3.490 20 30 DGEDLP C=C(C)CC[NH2+][C@H]1CCCN(C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001208648332 1092440518 /nfs/dbraw/zinc/44/05/18/1092440518.db2.gz IMTMLSQMAIFNGH-KRWDZBQOSA-N 2 2 315.461 3.167 20 30 DGEDLP N#Cc1ccc(CC[NH+]2CCC(Oc3cc[nH+]cc3)CC2)cc1 ZINC001208925581 1092589449 /nfs/dbraw/zinc/58/94/49/1092589449.db2.gz ITPUNBZGXWVKOH-UHFFFAOYSA-N 2 2 307.397 3.039 20 30 DGEDLP C=CCCCCC[N@@H+]1CCn2cc(C[NH+]3CCCCC3)nc2C1 ZINC001209423891 1092770547 /nfs/dbraw/zinc/77/05/47/1092770547.db2.gz GCTVOCWGGKJNDD-UHFFFAOYSA-N 2 2 316.493 3.431 20 30 DGEDLP C=CCCCCC[N@H+]1CCn2cc(C[NH+]3CCCCC3)nc2C1 ZINC001209423891 1092770553 /nfs/dbraw/zinc/77/05/53/1092770553.db2.gz GCTVOCWGGKJNDD-UHFFFAOYSA-N 2 2 316.493 3.431 20 30 DGEDLP N#Cc1ccc(F)c(C[N@@H+]2CCCC[C@]3(CCCC[NH2+]C3)C2)c1 ZINC001222161950 1095468994 /nfs/dbraw/zinc/46/89/94/1095468994.db2.gz UHAANGAZALXNKI-IBGZPJMESA-N 2 2 315.436 3.443 20 30 DGEDLP N#Cc1ccc(F)c(C[N@H+]2CCCC[C@]3(CCCC[NH2+]C3)C2)c1 ZINC001222161950 1095469002 /nfs/dbraw/zinc/46/90/02/1095469002.db2.gz UHAANGAZALXNKI-IBGZPJMESA-N 2 2 315.436 3.443 20 30 DGEDLP N#Cc1ccc(O)c(C[N@@H+]2CCCC[C@]3(CCCC[NH2+]C3)C2)c1 ZINC001222168178 1095476247 /nfs/dbraw/zinc/47/62/47/1095476247.db2.gz WQDJOTQCYDYHQO-IBGZPJMESA-N 2 2 313.445 3.010 20 30 DGEDLP N#Cc1ccc(O)c(C[N@H+]2CCCC[C@]3(CCCC[NH2+]C3)C2)c1 ZINC001222168178 1095476254 /nfs/dbraw/zinc/47/62/54/1095476254.db2.gz WQDJOTQCYDYHQO-IBGZPJMESA-N 2 2 313.445 3.010 20 30 DGEDLP C=CC[NH+]1CCC([NH2+][C@H]2C[C@H](C)c3c2c(O)ccc3C)CC1 ZINC001116584181 1095607493 /nfs/dbraw/zinc/60/74/93/1095607493.db2.gz BELGQOMMMRGBOT-HOCLYGCPSA-N 2 2 300.446 3.489 20 30 DGEDLP C[C@H](Cc1cccc(C#N)c1)[NH2+]CC1C[NH+](Cc2ccccc2)C1 ZINC001171180822 1095657711 /nfs/dbraw/zinc/65/77/11/1095657711.db2.gz CRZWWDYFLAABKM-QGZVFWFLSA-N 2 2 319.452 3.211 20 30 DGEDLP Cc1cc(C#N)cc(C)c1-c1cccc(C[N@@H+]2CC[C@@H]([NH3+])C2)c1 ZINC001222666709 1095714263 /nfs/dbraw/zinc/71/42/63/1095714263.db2.gz NFHWMCWCGMVOBZ-LJQANCHMSA-N 2 2 305.425 3.375 20 30 DGEDLP Cc1cc(C#N)cc(C)c1-c1cccc(C[N@H+]2CC[C@@H]([NH3+])C2)c1 ZINC001222666709 1095714271 /nfs/dbraw/zinc/71/42/71/1095714271.db2.gz NFHWMCWCGMVOBZ-LJQANCHMSA-N 2 2 305.425 3.375 20 30 DGEDLP C#Cc1ccc(C[NH+]2C[C@@H]3C[NH+](Cc4cccs4)C[C@H]3C2)cc1 ZINC001144569653 1095719596 /nfs/dbraw/zinc/71/95/96/1095719596.db2.gz WFDOARYRBOVAJT-RTBURBONSA-N 2 2 322.477 3.293 20 30 DGEDLP C=CC[NH2+]CCCC[C@@H](C)NC(=O)c1c(C)cc(C)[nH+]c1C ZINC001171860745 1096993011 /nfs/dbraw/zinc/99/30/11/1096993011.db2.gz UBZKVJVQVYYXPN-CQSZACIVSA-N 2 2 303.450 3.071 20 30 DGEDLP C=CCOC1CCC(N(c2cccc[nH+]2)C2CC[NH2+]CC2)CC1 ZINC001173323264 1097416717 /nfs/dbraw/zinc/41/67/17/1097416717.db2.gz URLCYGSXVALLAU-UHFFFAOYSA-N 2 2 315.461 3.154 20 30 DGEDLP C[C@H]1C[C@@H]([NH2+]Cc2cncc(C#N)c2)CC[N@@H+]1Cc1ccccc1 ZINC000721557442 1097524794 /nfs/dbraw/zinc/52/47/94/1097524794.db2.gz BCBOKNGJCXDXNY-JXFKEZNVSA-N 2 2 320.440 3.096 20 30 DGEDLP C[C@H]1C[C@@H]([NH2+]Cc2cncc(C#N)c2)CC[N@H+]1Cc1ccccc1 ZINC000721557442 1097524798 /nfs/dbraw/zinc/52/47/98/1097524798.db2.gz BCBOKNGJCXDXNY-JXFKEZNVSA-N 2 2 320.440 3.096 20 30 DGEDLP C#Cc1cccc(C[NH+]2C[C@H]3C[NH+](Cc4cccs4)C[C@@H]3C2)c1 ZINC001231655524 1097803942 /nfs/dbraw/zinc/80/39/42/1097803942.db2.gz QANHAKIRFAOFKJ-OALUTQOASA-N 2 2 322.477 3.293 20 30 DGEDLP C#Cc1cccc(C[N@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC001231660378 1097807133 /nfs/dbraw/zinc/80/71/33/1097807133.db2.gz FMSCEVLXESNHOZ-UHFFFAOYSA-N 2 2 301.393 3.486 20 30 DGEDLP C#Cc1cccc(C[N@@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC001231660378 1097807140 /nfs/dbraw/zinc/80/71/40/1097807140.db2.gz FMSCEVLXESNHOZ-UHFFFAOYSA-N 2 2 301.393 3.486 20 30 DGEDLP C=CCCC[NH2+]CCCC[C@@H](C)NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001175503664 1098073670 /nfs/dbraw/zinc/07/36/70/1098073670.db2.gz SHRFSQSRKYRESU-IAGOWNOFSA-N 2 2 320.481 3.065 20 30 DGEDLP Cc1cc(C#N)ccc1C[NH+]1CCC(Oc2cc[nH+]cc2)CC1 ZINC001233080734 1098220552 /nfs/dbraw/zinc/22/05/52/1098220552.db2.gz VKEGQKCFEZEIKM-UHFFFAOYSA-N 2 2 307.397 3.305 20 30 DGEDLP COc1cc(C[N@@H+]2CCC[C@@H](C#N)CC2)ccc1-n1cc[nH+]c1 ZINC001234068217 1098489373 /nfs/dbraw/zinc/48/93/73/1098489373.db2.gz YWHJRTHXNHNLRG-OAHLLOKOSA-N 2 2 310.401 3.007 20 30 DGEDLP COc1cc(C[N@H+]2CCC[C@@H](C#N)CC2)ccc1-n1cc[nH+]c1 ZINC001234068217 1098489375 /nfs/dbraw/zinc/48/93/75/1098489375.db2.gz YWHJRTHXNHNLRG-OAHLLOKOSA-N 2 2 310.401 3.007 20 30 DGEDLP N#Cc1ccc(Oc2ccc(C[N@@H+]3CC[C@H]4[NH2+]C[C@H]4C3)cc2)cc1 ZINC001235027231 1098757421 /nfs/dbraw/zinc/75/74/21/1098757421.db2.gz YLAAULSQPDVLJE-FXAWDEMLSA-N 2 2 319.408 3.144 20 30 DGEDLP N#Cc1ccc(Oc2ccc(C[N@H+]3CC[C@H]4[NH2+]C[C@H]4C3)cc2)cc1 ZINC001235027231 1098757431 /nfs/dbraw/zinc/75/74/31/1098757431.db2.gz YLAAULSQPDVLJE-FXAWDEMLSA-N 2 2 319.408 3.144 20 30 DGEDLP C=CCCC[NH2+]CCCCCCNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001179705446 1099179315 /nfs/dbraw/zinc/17/93/15/1099179315.db2.gz FAFIFPQXPYDQPO-KRWDZBQOSA-N 2 2 320.481 3.067 20 30 DGEDLP Cn1cc(C[N@H+](C2CCC2)[C@H]2CCC[NH2+]C2)c2cc(C#N)ccc21 ZINC001237160907 1100009119 /nfs/dbraw/zinc/00/91/19/1100009119.db2.gz LYZGRAQRDRSOGB-SFHVURJKSA-N 2 2 322.456 3.156 20 30 DGEDLP Cn1cc(C[N@@H+](C2CCC2)[C@H]2CCC[NH2+]C2)c2cc(C#N)ccc21 ZINC001237160907 1100009125 /nfs/dbraw/zinc/00/91/25/1100009125.db2.gz LYZGRAQRDRSOGB-SFHVURJKSA-N 2 2 322.456 3.156 20 30 DGEDLP C=CCCC[N@@H+]1CCC[C@]2(CCC[NH+](Cc3cn[nH]c3)C2)C1 ZINC001274961783 1104557300 /nfs/dbraw/zinc/55/73/00/1104557300.db2.gz ANWDEKGGRQWMGT-SFHVURJKSA-N 2 2 302.466 3.054 20 30 DGEDLP C=CCCC[N@H+]1CCC[C@]2(CCC[NH+](Cc3cn[nH]c3)C2)C1 ZINC001274961783 1104557304 /nfs/dbraw/zinc/55/73/04/1104557304.db2.gz ANWDEKGGRQWMGT-SFHVURJKSA-N 2 2 302.466 3.054 20 30 DGEDLP C=CCCC[NH+]1CCC[C@]2(CCC[N@H+](Cc3cn[nH]c3)C2)C1 ZINC001274961783 1104557311 /nfs/dbraw/zinc/55/73/11/1104557311.db2.gz ANWDEKGGRQWMGT-SFHVURJKSA-N 2 2 302.466 3.054 20 30 DGEDLP C=CCCC[NH+]1CCC[C@]2(CCC[N@@H+](Cc3cn[nH]c3)C2)C1 ZINC001274961783 1104557319 /nfs/dbraw/zinc/55/73/19/1104557319.db2.gz ANWDEKGGRQWMGT-SFHVURJKSA-N 2 2 302.466 3.054 20 30 DGEDLP C=CCCCC[N@@H+]1CCC[C@@]2(C[NH+](C3CCCC3)CCO2)C1 ZINC001274974553 1104564177 /nfs/dbraw/zinc/56/41/77/1104564177.db2.gz MWVJJLALRVMJPT-IBGZPJMESA-N 2 2 306.494 3.452 20 30 DGEDLP C=CCCCC[N@H+]1CCC[C@@]2(C[NH+](C3CCCC3)CCO2)C1 ZINC001274974553 1104564181 /nfs/dbraw/zinc/56/41/81/1104564181.db2.gz MWVJJLALRVMJPT-IBGZPJMESA-N 2 2 306.494 3.452 20 30 DGEDLP C=CCCCC[NH+]1CCC[C@]2(C1)C[N@@H+](C1CCCC1)CCO2 ZINC001274974553 1104564190 /nfs/dbraw/zinc/56/41/90/1104564190.db2.gz MWVJJLALRVMJPT-IBGZPJMESA-N 2 2 306.494 3.452 20 30 DGEDLP C=CCCCC[NH+]1CCC[C@]2(C1)C[N@H+](C1CCCC1)CCO2 ZINC001274974553 1104564196 /nfs/dbraw/zinc/56/41/96/1104564196.db2.gz MWVJJLALRVMJPT-IBGZPJMESA-N 2 2 306.494 3.452 20 30 DGEDLP C=CCOC1CCC([N@H+]([C@H]2CC[NH2+]C2)C2CCCCC2)CC1 ZINC001246974458 1104758589 /nfs/dbraw/zinc/75/85/89/1104758589.db2.gz ARFSAYANAATAPT-XBMUEBEBSA-N 2 2 306.494 3.497 20 30 DGEDLP C=CCOC1CCC([N@@H+]([C@H]2CC[NH2+]C2)C2CCCCC2)CC1 ZINC001246974458 1104758594 /nfs/dbraw/zinc/75/85/94/1104758594.db2.gz ARFSAYANAATAPT-XBMUEBEBSA-N 2 2 306.494 3.497 20 30 DGEDLP C=CCC[C@@H](C)[N@@H+](C)C[C@@H](C)NC(=O)c1c(C)cc(C)[nH+]c1C ZINC001275607384 1104831452 /nfs/dbraw/zinc/83/14/52/1104831452.db2.gz PISHFFLEQHGZBX-HZPDHXFCSA-N 2 2 317.477 3.412 20 30 DGEDLP C=CCC[C@@H](C)[N@H+](C)C[C@@H](C)NC(=O)c1c(C)cc(C)[nH+]c1C ZINC001275607384 1104831458 /nfs/dbraw/zinc/83/14/58/1104831458.db2.gz PISHFFLEQHGZBX-HZPDHXFCSA-N 2 2 317.477 3.412 20 30 DGEDLP CCCCCCCCCC[C@@H](O)C[NH2+]CCc1[nH+]ccn1C ZINC001252988771 1105868104 /nfs/dbraw/zinc/86/81/04/1105868104.db2.gz JBXVZNSOFZXTQU-QGZVFWFLSA-N 2 2 309.498 3.444 20 30 DGEDLP Cc1ccc(F)cc1C[NH+]1CCC([NH2+][C@H]2CC[C@H](C#N)C2)CC1 ZINC001254649415 1106122805 /nfs/dbraw/zinc/12/28/05/1106122805.db2.gz PAUBVNALBLBOOU-KXBFYZLASA-N 2 2 315.436 3.380 20 30 DGEDLP C[N@H+](Cc1ccc(F)cc1)C1CC[NH+]([C@@H]2CC[C@H](C#N)C2)CC1 ZINC001254670245 1106129534 /nfs/dbraw/zinc/12/95/34/1106129534.db2.gz ABASVVGXVMJOKG-QFBILLFUSA-N 2 2 315.436 3.414 20 30 DGEDLP C[N@@H+](Cc1ccc(F)cc1)C1CC[NH+]([C@@H]2CC[C@H](C#N)C2)CC1 ZINC001254670245 1106129538 /nfs/dbraw/zinc/12/95/38/1106129538.db2.gz ABASVVGXVMJOKG-QFBILLFUSA-N 2 2 315.436 3.414 20 30 DGEDLP N#CC1CCC([NH2+][C@@H](C[NH3+])c2ccc(Br)cc2)CC1 ZINC001256957749 1106515140 /nfs/dbraw/zinc/51/51/40/1106515140.db2.gz CUSQJCVJWFBTDW-KWCHVYNWSA-N 2 2 322.250 3.121 20 30 DGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]C3CCC(C#N)CC3)CC2)cc1 ZINC001256953223 1106515502 /nfs/dbraw/zinc/51/55/02/1106515502.db2.gz GCMBSSJHLNDTAB-UHFFFAOYSA-N 2 2 322.456 3.195 20 30 DGEDLP C=CCC[N@@H+](CCCNC(=O)c1c(C)cc(C)[nH+]c1C)C1CC1 ZINC001316923129 1106768563 /nfs/dbraw/zinc/76/85/63/1106768563.db2.gz VCRNYUSGCNGQAP-UHFFFAOYSA-N 2 2 315.461 3.167 20 30 DGEDLP C=CCC[N@H+](CCCNC(=O)c1c(C)cc(C)[nH+]c1C)C1CC1 ZINC001316923129 1106768576 /nfs/dbraw/zinc/76/85/76/1106768576.db2.gz VCRNYUSGCNGQAP-UHFFFAOYSA-N 2 2 315.461 3.167 20 30 DGEDLP N#Cc1ccc2c(c1)C[C@H]([NH2+]Cc1cc(-n3cc[nH+]c3)cs1)C2 ZINC001308498435 1111434673 /nfs/dbraw/zinc/43/46/73/1111434673.db2.gz XAVHRIQXLBWYLC-MRXNPFEDSA-N 2 2 320.421 3.062 20 30 DGEDLP C[C@@H]([NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1cccnc1 ZINC000181411269 199292677 /nfs/dbraw/zinc/29/26/77/199292677.db2.gz SIQUWVDWKWCUTP-MRXNPFEDSA-N 2 2 320.440 3.268 20 30 DGEDLP C=C(Cl)COc1ccc([C@H](C)[NH2+]CCn2cc[nH+]c2)cc1 ZINC000155754037 186109511 /nfs/dbraw/zinc/10/95/11/186109511.db2.gz AZRRLKUCUWPIHK-AWEZNQCLSA-N 2 2 305.809 3.365 20 30 DGEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)c2ccc3c(c2)OCCCO3)CC1 ZINC000177908133 186202626 /nfs/dbraw/zinc/20/26/26/186202626.db2.gz IWHGQASTBPSIQK-HNNXBMFYSA-N 2 2 316.445 3.149 20 30 DGEDLP N#Cc1ccc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c(F)c1 ZINC000134887821 432088650 /nfs/dbraw/zinc/08/86/50/432088650.db2.gz KKVVMJKTTJOJOS-VQIMIIECSA-N 2 2 313.420 3.146 20 30 DGEDLP N#Cc1ccc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c(F)c1 ZINC000134887821 432088652 /nfs/dbraw/zinc/08/86/52/432088652.db2.gz KKVVMJKTTJOJOS-VQIMIIECSA-N 2 2 313.420 3.146 20 30 DGEDLP N#Cc1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c(F)c1 ZINC000134887821 432088654 /nfs/dbraw/zinc/08/86/54/432088654.db2.gz KKVVMJKTTJOJOS-VQIMIIECSA-N 2 2 313.420 3.146 20 30 DGEDLP N#Cc1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c(F)c1 ZINC000134887821 432088656 /nfs/dbraw/zinc/08/86/56/432088656.db2.gz KKVVMJKTTJOJOS-VQIMIIECSA-N 2 2 313.420 3.146 20 30 DGEDLP N#C[C@@H]1CC[C@@H]([NH2+]CC2([NH+]3CCSCC3)CCCCC2)C1 ZINC000442792733 239124307 /nfs/dbraw/zinc/12/43/07/239124307.db2.gz MZOXSBDXSGDOKU-HZPDHXFCSA-N 2 2 307.507 3.020 20 30 DGEDLP N#Cc1ccc(F)c(C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c1 ZINC000157341150 197181007 /nfs/dbraw/zinc/18/10/07/197181007.db2.gz TVAGSHUFSMXGMM-KRWDZBQOSA-N 2 2 301.409 3.148 20 30 DGEDLP N#Cc1ccc(F)c(C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c1 ZINC000157341150 197181008 /nfs/dbraw/zinc/18/10/08/197181008.db2.gz TVAGSHUFSMXGMM-KRWDZBQOSA-N 2 2 301.409 3.148 20 30 DGEDLP N#Cc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+]2Cc2ccccc2)c(F)c1 ZINC000344406135 254267170 /nfs/dbraw/zinc/26/71/70/254267170.db2.gz BJGZTNJMZQOEFQ-IBGZPJMESA-N 2 2 323.415 3.452 20 30 DGEDLP N#Cc1ccc(C[NH2+]C[C@@H]2CCC[N@H+]2Cc2ccccc2)c(F)c1 ZINC000344406135 254267171 /nfs/dbraw/zinc/26/71/71/254267171.db2.gz BJGZTNJMZQOEFQ-IBGZPJMESA-N 2 2 323.415 3.452 20 30 DGEDLP N#CCC[C@@H](C#N)C[NH+]1CCC(Cc2[nH]c3ccccc3[nH+]2)CC1 ZINC000595550473 400184810 /nfs/dbraw/zinc/18/48/10/400184810.db2.gz BDZRZJHOFWAPKE-INIZCTEOSA-N 2 2 321.428 3.261 20 30 DGEDLP C[C@@]1(C#N)CC[N@H+](Cc2cccc(C[NH+]3CC[C@](C)(C#N)C3)c2)C1 ZINC000595840494 400277357 /nfs/dbraw/zinc/27/73/57/400277357.db2.gz OPQJKVPVRJMUTH-BGYRXZFFSA-N 2 2 322.456 3.158 20 30 DGEDLP C[C@@]1(C#N)CC[N@@H+](Cc2cccc(C[NH+]3CC[C@](C)(C#N)C3)c2)C1 ZINC000595840494 400277365 /nfs/dbraw/zinc/27/73/65/400277365.db2.gz OPQJKVPVRJMUTH-BGYRXZFFSA-N 2 2 322.456 3.158 20 30 DGEDLP C[C@@]1(C#N)CC[NH+](Cc2cccc(C[N@@H+]3CC[C@](C)(C#N)C3)c2)C1 ZINC000595840494 400277372 /nfs/dbraw/zinc/27/73/72/400277372.db2.gz OPQJKVPVRJMUTH-BGYRXZFFSA-N 2 2 322.456 3.158 20 30 DGEDLP C[C@@]1(C#N)CC[NH+](Cc2cccc(C[N@H+]3CC[C@](C)(C#N)C3)c2)C1 ZINC000595840494 400277377 /nfs/dbraw/zinc/27/73/77/400277377.db2.gz OPQJKVPVRJMUTH-BGYRXZFFSA-N 2 2 322.456 3.158 20 30 DGEDLP C[C@@]1(C#N)CC[NH+](Cc2cccc(C[N@H+]3CC[C@@](C)(C#N)C3)c2)C1 ZINC000595840497 400277878 /nfs/dbraw/zinc/27/78/78/400277878.db2.gz OPQJKVPVRJMUTH-PMACEKPBSA-N 2 2 322.456 3.158 20 30 DGEDLP C[C@@]1(C#N)CC[NH+](Cc2cccc(C[N@@H+]3CC[C@@](C)(C#N)C3)c2)C1 ZINC000595840497 400277884 /nfs/dbraw/zinc/27/78/84/400277884.db2.gz OPQJKVPVRJMUTH-PMACEKPBSA-N 2 2 322.456 3.158 20 30 DGEDLP CC[C@@H]1C[N@H+](Cc2ccc(C#N)cc2C(F)(F)F)CC[C@@H]1[NH3+] ZINC000595895499 400289229 /nfs/dbraw/zinc/28/92/29/400289229.db2.gz OGNSZKLNKUHLAB-DOMZBBRYSA-N 2 2 311.351 3.136 20 30 DGEDLP CC[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2C(F)(F)F)CC[C@@H]1[NH3+] ZINC000595895499 400289234 /nfs/dbraw/zinc/28/92/34/400289234.db2.gz OGNSZKLNKUHLAB-DOMZBBRYSA-N 2 2 311.351 3.136 20 30 DGEDLP C[C@H]([NH3+])[C@H]1CCC[N@H+](Cc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000595893655 400289775 /nfs/dbraw/zinc/28/97/75/400289775.db2.gz YAZMEGXIXIEMQI-AAEUAGOBSA-N 2 2 311.351 3.136 20 30 DGEDLP C[C@H]([NH3+])[C@H]1CCC[N@@H+](Cc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000595893655 400289782 /nfs/dbraw/zinc/28/97/82/400289782.db2.gz YAZMEGXIXIEMQI-AAEUAGOBSA-N 2 2 311.351 3.136 20 30 DGEDLP C[C@@]1([NH2+]Cc2ccc(C#N)cc2)CC[N@H+](Cc2ccccc2)C1 ZINC000406062788 400300749 /nfs/dbraw/zinc/30/07/49/400300749.db2.gz JZZRPYFLKQVXTL-HXUWFJFHSA-N 2 2 305.425 3.312 20 30 DGEDLP C[C@@]1([NH2+]Cc2ccc(C#N)cc2)CC[N@@H+](Cc2ccccc2)C1 ZINC000406062788 400300754 /nfs/dbraw/zinc/30/07/54/400300754.db2.gz JZZRPYFLKQVXTL-HXUWFJFHSA-N 2 2 305.425 3.312 20 30 DGEDLP N#CCCCOc1cccc(C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)c1 ZINC000611268055 400370237 /nfs/dbraw/zinc/37/02/37/400370237.db2.gz AYDHHLYKBMCUJO-SFHVURJKSA-N 2 2 324.428 3.403 20 30 DGEDLP N#CCCCOc1cccc(C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)c1 ZINC000611268055 400370241 /nfs/dbraw/zinc/37/02/41/400370241.db2.gz AYDHHLYKBMCUJO-SFHVURJKSA-N 2 2 324.428 3.403 20 30 DGEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2c(Cl)cccc2OC)CC1 ZINC000118449045 400428468 /nfs/dbraw/zinc/42/84/68/400428468.db2.gz NMZFCKFWMOTQQH-UHFFFAOYSA-N 2 2 308.853 3.479 20 30 DGEDLP C[C@@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccccc1)c1ccc(C#N)cc1 ZINC000596648308 400471095 /nfs/dbraw/zinc/47/10/95/400471095.db2.gz OWCOIFYVYAENRR-CDHQVMDDSA-N 2 2 305.425 3.355 20 30 DGEDLP C[C@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccccc1)c1cccc(C#N)c1 ZINC000596648971 400472033 /nfs/dbraw/zinc/47/20/33/400472033.db2.gz VLMBWJUPEQEPJD-CWFSZBLJSA-N 2 2 305.425 3.355 20 30 DGEDLP N#C[C@@H]1CCC[C@@H]([NH2+][C@H]2C[NH2+]CC[C@H]2c2ccc(F)c(F)c2)C1 ZINC000596648860 400472135 /nfs/dbraw/zinc/47/21/35/400472135.db2.gz GKQCLPGTIDUPDQ-TXPWEPMLSA-N 2 2 319.399 3.082 20 30 DGEDLP C=CC[NH+]1CCC([NH2+][C@@H]2C[C@@H](OCC)C23CCCCC3)CC1 ZINC000181716800 400890162 /nfs/dbraw/zinc/89/01/62/400890162.db2.gz HQHDEUKQVJOLAE-QZTJIDSGSA-N 2 2 306.494 3.354 20 30 DGEDLP N#Cc1cccc(C[NH+]2CCC([NH2+][C@H]3CCC[C@@H](C#N)C3)CC2)c1 ZINC000593701979 400896198 /nfs/dbraw/zinc/89/61/98/400896198.db2.gz JHAMEMWGTJDCJI-XLIONFOSSA-N 2 2 322.456 3.195 20 30 DGEDLP N#Cc1ccc(C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)c(Cl)c1 ZINC000615224368 401033671 /nfs/dbraw/zinc/03/36/71/401033671.db2.gz NURHTZMOOHPPFE-HNNXBMFYSA-N 2 2 300.793 3.245 20 30 DGEDLP N#Cc1ccc(C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)c(Cl)c1 ZINC000615224368 401033678 /nfs/dbraw/zinc/03/36/78/401033678.db2.gz NURHTZMOOHPPFE-HNNXBMFYSA-N 2 2 300.793 3.245 20 30 DGEDLP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+]CCc1ccc(C#N)cc1 ZINC000594955325 401204814 /nfs/dbraw/zinc/20/48/14/401204814.db2.gz NAODXHVMMACDIY-UWJYYQICSA-N 2 2 319.452 3.211 20 30 DGEDLP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+]CCc1ccc(C#N)cc1 ZINC000594955325 401204821 /nfs/dbraw/zinc/20/48/21/401204821.db2.gz NAODXHVMMACDIY-UWJYYQICSA-N 2 2 319.452 3.211 20 30 DGEDLP C=CC[NH+]1CCC([NH2+][C@H](CC)c2cccc(OC)c2OC)CC1 ZINC000631582591 401504943 /nfs/dbraw/zinc/50/49/43/401504943.db2.gz SNENQOKDVWZPAW-QGZVFWFLSA-N 2 2 318.461 3.395 20 30 DGEDLP N#Cc1cc(F)ccc1C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246948507 432183801 /nfs/dbraw/zinc/18/38/01/432183801.db2.gz UMBDTMHMOZEOST-KXBFYZLASA-N 2 2 313.420 3.146 20 30 DGEDLP N#Cc1cc(F)ccc1C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246948507 432183803 /nfs/dbraw/zinc/18/38/03/432183803.db2.gz UMBDTMHMOZEOST-KXBFYZLASA-N 2 2 313.420 3.146 20 30 DGEDLP N#Cc1cc(F)ccc1C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246948507 432183806 /nfs/dbraw/zinc/18/38/06/432183806.db2.gz UMBDTMHMOZEOST-KXBFYZLASA-N 2 2 313.420 3.146 20 30 DGEDLP N#Cc1cc(F)ccc1C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246948507 432183807 /nfs/dbraw/zinc/18/38/07/432183807.db2.gz UMBDTMHMOZEOST-KXBFYZLASA-N 2 2 313.420 3.146 20 30 DGEDLP C[C@@H]1C[C@@H]([NH2+]Cc2cccc(OCCCC#N)c2)C[N@@H+]1C1CC1 ZINC000151105956 432219607 /nfs/dbraw/zinc/21/96/07/432219607.db2.gz JIYODVYZZJTZIH-NVXWUHKLSA-N 2 2 313.445 3.084 20 30 DGEDLP C[C@@H]1C[C@@H]([NH2+]Cc2cccc(OCCCC#N)c2)C[N@H+]1C1CC1 ZINC000151105956 432219610 /nfs/dbraw/zinc/21/96/10/432219610.db2.gz JIYODVYZZJTZIH-NVXWUHKLSA-N 2 2 313.445 3.084 20 30 DGEDLP C[C@H]1C[C@H]([NH2+]Cc2cccc(OCCCC#N)c2)C[N@@H+]1C1CC1 ZINC000151105912 432220249 /nfs/dbraw/zinc/22/02/49/432220249.db2.gz JIYODVYZZJTZIH-RDJZCZTQSA-N 2 2 313.445 3.084 20 30 DGEDLP C[C@H]1C[C@H]([NH2+]Cc2cccc(OCCCC#N)c2)C[N@H+]1C1CC1 ZINC000151105912 432220256 /nfs/dbraw/zinc/22/02/56/432220256.db2.gz JIYODVYZZJTZIH-RDJZCZTQSA-N 2 2 313.445 3.084 20 30 DGEDLP N#Cc1ccccc1C[NH+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000348329927 264391243 /nfs/dbraw/zinc/39/12/43/264391243.db2.gz WWZIMZUWRXLAIN-NHCUHLMSSA-N 2 2 317.436 3.122 20 30 DGEDLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@@H]1CCCCc2cc(C#N)ccc21 ZINC000360665632 267044838 /nfs/dbraw/zinc/04/48/38/267044838.db2.gz XQAGAEUHZINBOT-XMCHAPAWSA-N 2 2 309.457 3.398 20 30 DGEDLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@@H]1CCCCc2cc(C#N)ccc21 ZINC000360665632 267044840 /nfs/dbraw/zinc/04/48/40/267044840.db2.gz XQAGAEUHZINBOT-XMCHAPAWSA-N 2 2 309.457 3.398 20 30 DGEDLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000404064072 267055024 /nfs/dbraw/zinc/05/50/24/267055024.db2.gz NDLXGKGPWIJLCS-FOIQADDNSA-N 2 2 323.415 3.307 20 30 DGEDLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000404064072 267055025 /nfs/dbraw/zinc/05/50/25/267055025.db2.gz NDLXGKGPWIJLCS-FOIQADDNSA-N 2 2 323.415 3.307 20 30 DGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@@H]3CC[C@H](F)C3)CC2)cc1 ZINC000348410321 268065319 /nfs/dbraw/zinc/06/53/19/268065319.db2.gz OHPGJODQFQITDV-FUHWJXTLSA-N 2 2 301.409 3.003 20 30 DGEDLP N#Cc1ccc(C[NH2+]C[C@H]2CCC[N@@H+]2Cc2ccccc2)cc1F ZINC000404089645 268073623 /nfs/dbraw/zinc/07/36/23/268073623.db2.gz SWDSOBYOHWLJHB-LJQANCHMSA-N 2 2 323.415 3.452 20 30 DGEDLP N#Cc1ccc(C[NH2+]C[C@H]2CCC[N@H+]2Cc2ccccc2)cc1F ZINC000404089645 268073627 /nfs/dbraw/zinc/07/36/27/268073627.db2.gz SWDSOBYOHWLJHB-LJQANCHMSA-N 2 2 323.415 3.452 20 30 DGEDLP N#Cc1ccc(C[N@@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)o1 ZINC000367968077 271103751 /nfs/dbraw/zinc/10/37/51/271103751.db2.gz WNVBYMOTVFKMBI-MSOLQXFVSA-N 2 2 321.424 3.105 20 30 DGEDLP N#Cc1ccc(C[N@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)o1 ZINC000367968077 271103753 /nfs/dbraw/zinc/10/37/53/271103753.db2.gz WNVBYMOTVFKMBI-MSOLQXFVSA-N 2 2 321.424 3.105 20 30 DGEDLP N#Cc1ccc(C[NH+]2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)o1 ZINC000367968077 271103754 /nfs/dbraw/zinc/10/37/54/271103754.db2.gz WNVBYMOTVFKMBI-MSOLQXFVSA-N 2 2 321.424 3.105 20 30 DGEDLP N#Cc1ccc(C[NH+]2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)o1 ZINC000367968077 271103757 /nfs/dbraw/zinc/10/37/57/271103757.db2.gz WNVBYMOTVFKMBI-MSOLQXFVSA-N 2 2 321.424 3.105 20 30 DGEDLP N#C[C@@H]1CCC[C@H]([NH2+]CC2([NH+]3CCSCC3)CCCC2)C1 ZINC000192663690 432398348 /nfs/dbraw/zinc/39/83/48/432398348.db2.gz FFNDHACLUCWDEE-CVEARBPZSA-N 2 2 307.507 3.020 20 30 DGEDLP N#C[C@H]1CCC[C@H]([NH2+]CC2([NH+]3CCSCC3)CCCC2)C1 ZINC000192663660 432398357 /nfs/dbraw/zinc/39/83/57/432398357.db2.gz FFNDHACLUCWDEE-HOTGVXAUSA-N 2 2 307.507 3.020 20 30 DGEDLP C[C@H]([NH2+]Cc1ccc(C#N)o1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272134322 432450906 /nfs/dbraw/zinc/45/09/06/432450906.db2.gz AAFSBFNILMDMLX-RDJZCZTQSA-N 2 2 309.413 3.151 20 30 DGEDLP C[C@H]([NH2+]Cc1ccc(C#N)o1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272134322 432450910 /nfs/dbraw/zinc/45/09/10/432450910.db2.gz AAFSBFNILMDMLX-RDJZCZTQSA-N 2 2 309.413 3.151 20 30 DGEDLP Cc1[nH+]c2ccccc2n1CCC[NH2+]Cc1cc(C#N)cs1 ZINC000177681028 432649351 /nfs/dbraw/zinc/64/93/51/432649351.db2.gz YBCLWHGIILLBNG-UHFFFAOYSA-N 2 2 310.426 3.458 20 30 DGEDLP N#Cc1csc(C[NH2+]C[C@H]2CCC[N@@H+]2Cc2ccccc2)c1 ZINC000177702023 432652752 /nfs/dbraw/zinc/65/27/52/432652752.db2.gz WHOHEAAJLHIWRO-QGZVFWFLSA-N 2 2 311.454 3.374 20 30 DGEDLP N#Cc1csc(C[NH2+]C[C@H]2CCC[N@H+]2Cc2ccccc2)c1 ZINC000177702023 432652755 /nfs/dbraw/zinc/65/27/55/432652755.db2.gz WHOHEAAJLHIWRO-QGZVFWFLSA-N 2 2 311.454 3.374 20 30 DGEDLP N#Cc1cc(Cl)ccc1C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000274804046 432710669 /nfs/dbraw/zinc/71/06/69/432710669.db2.gz RWPOWIOQPZFAKV-UHFFFAOYSA-N 2 2 300.793 3.314 20 30 DGEDLP C[C@@H]1CC[N@H+](CCCOc2ccc(C#N)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000177910950 432673307 /nfs/dbraw/zinc/67/33/07/432673307.db2.gz CXZGNWAIXYKDML-APWZRJJASA-N 2 2 324.428 3.107 20 30 DGEDLP C[C@@H]1CC[N@@H+](CCCOc2ccc(C#N)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000177910950 432673312 /nfs/dbraw/zinc/67/33/12/432673312.db2.gz CXZGNWAIXYKDML-APWZRJJASA-N 2 2 324.428 3.107 20 30 DGEDLP C[C@H](c1ccccn1)[N@H+](C)CC#CC[NH+](C)[C@@H](C)c1ccccn1 ZINC000276312404 432796019 /nfs/dbraw/zinc/79/60/19/432796019.db2.gz MPMHVYGQWYNNES-HDICACEKSA-N 2 2 322.456 3.166 20 30 DGEDLP C[C@H](c1ccccn1)[N@@H+](C)CC#CC[NH+](C)[C@@H](C)c1ccccn1 ZINC000276312404 432796023 /nfs/dbraw/zinc/79/60/23/432796023.db2.gz MPMHVYGQWYNNES-HDICACEKSA-N 2 2 322.456 3.166 20 30 DGEDLP C[C@H](c1ccccn1)[NH+](C)CC#CC[N@H+](C)[C@@H](C)c1ccccn1 ZINC000276312404 432796026 /nfs/dbraw/zinc/79/60/26/432796026.db2.gz MPMHVYGQWYNNES-HDICACEKSA-N 2 2 322.456 3.166 20 30 DGEDLP C[C@H](c1ccccn1)[NH+](C)CC#CC[N@@H+](C)[C@@H](C)c1ccccn1 ZINC000276312404 432796028 /nfs/dbraw/zinc/79/60/28/432796028.db2.gz MPMHVYGQWYNNES-HDICACEKSA-N 2 2 322.456 3.166 20 30 DGEDLP C[C@H](C#N)Oc1ccc(C[N@@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)cc1 ZINC000245724418 432859351 /nfs/dbraw/zinc/85/93/51/432859351.db2.gz DQDJKTXGDNSWMZ-FRQCXROJSA-N 2 2 324.428 3.257 20 30 DGEDLP CC[NH+](CC)Cc1ccccc1CNc1cc(C)[nH+]cc1C#N ZINC000425201678 433121926 /nfs/dbraw/zinc/12/19/26/433121926.db2.gz NXMNGZMIDPYNRH-UHFFFAOYSA-N 2 2 308.429 3.138 20 30 DGEDLP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000280753427 433163720 /nfs/dbraw/zinc/16/37/20/433163720.db2.gz YCHSFMKWSMYOEC-NBYUQASBSA-N 2 2 314.473 3.220 20 30 DGEDLP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000280753427 433163733 /nfs/dbraw/zinc/16/37/33/433163733.db2.gz YCHSFMKWSMYOEC-NBYUQASBSA-N 2 2 314.473 3.220 20 30 DGEDLP C#CCC[N@@H+](CCCn1cc[nH+]c1)Cc1ccccc1OCC ZINC000299235444 433354617 /nfs/dbraw/zinc/35/46/17/433354617.db2.gz SBYVXAOFGOVXRK-UHFFFAOYSA-N 2 2 311.429 3.197 20 30 DGEDLP C#CCC[N@H+](CCCn1cc[nH+]c1)Cc1ccccc1OCC ZINC000299235444 433354624 /nfs/dbraw/zinc/35/46/24/433354624.db2.gz SBYVXAOFGOVXRK-UHFFFAOYSA-N 2 2 311.429 3.197 20 30 DGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]CC3CC(F)(F)C3)CC2)cc1 ZINC000291794481 433355726 /nfs/dbraw/zinc/35/57/26/433355726.db2.gz WNQDDCAUZAJZIH-UHFFFAOYSA-N 2 2 319.399 3.158 20 30 DGEDLP CC[N@@H+]1CC[C@H]([NH+](C)CC#Cc2ccc(Cl)cc2)C[C@H]1C ZINC000426452683 433500439 /nfs/dbraw/zinc/50/04/39/433500439.db2.gz YFESCRNDSFDISP-QAPCUYQASA-N 2 2 304.865 3.496 20 30 DGEDLP CC[N@H+]1CC[C@H]([NH+](C)CC#Cc2ccc(Cl)cc2)C[C@H]1C ZINC000426452683 433500450 /nfs/dbraw/zinc/50/04/50/433500450.db2.gz YFESCRNDSFDISP-QAPCUYQASA-N 2 2 304.865 3.496 20 30 DGEDLP CC[NH+]1CC[C@H]([N@H+](C)CC#Cc2ccc(Cl)cc2)C[C@H]1C ZINC000426452683 433500459 /nfs/dbraw/zinc/50/04/59/433500459.db2.gz YFESCRNDSFDISP-QAPCUYQASA-N 2 2 304.865 3.496 20 30 DGEDLP CC[NH+]1CC[C@H]([N@@H+](C)CC#Cc2ccc(Cl)cc2)C[C@H]1C ZINC000426452683 433500466 /nfs/dbraw/zinc/50/04/66/433500466.db2.gz YFESCRNDSFDISP-QAPCUYQASA-N 2 2 304.865 3.496 20 30 DGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@H]3CCC[C@@H]3F)CC2)cc1 ZINC000339583269 433667492 /nfs/dbraw/zinc/66/74/92/433667492.db2.gz HVWZLKUQJRPAPX-ROUUACIJSA-N 2 2 301.409 3.003 20 30 DGEDLP C[NH+](CCC[N@@H+](C)Cc1ccco1)Cc1ccc(F)c(C#N)c1 ZINC000353551056 434221985 /nfs/dbraw/zinc/22/19/85/434221985.db2.gz QYXXYZHETIAVMU-UHFFFAOYSA-N 2 2 315.392 3.244 20 30 DGEDLP C[NH+](CCC[N@H+](C)Cc1ccco1)Cc1ccc(F)c(C#N)c1 ZINC000353551056 434221995 /nfs/dbraw/zinc/22/19/95/434221995.db2.gz QYXXYZHETIAVMU-UHFFFAOYSA-N 2 2 315.392 3.244 20 30 DGEDLP C[NH+](CCC[N@H+](C)Cc1ccc(F)c(C#N)c1)Cc1ccco1 ZINC000353551056 434222002 /nfs/dbraw/zinc/22/20/02/434222002.db2.gz QYXXYZHETIAVMU-UHFFFAOYSA-N 2 2 315.392 3.244 20 30 DGEDLP C[NH+](CCC[N@@H+](C)Cc1ccc(F)c(C#N)c1)Cc1ccco1 ZINC000353551056 434222012 /nfs/dbraw/zinc/22/20/12/434222012.db2.gz QYXXYZHETIAVMU-UHFFFAOYSA-N 2 2 315.392 3.244 20 30 DGEDLP C=CCOc1cccc(C[N@H+]2CCC[C@@H](c3[nH+]ccn3C)C2)c1 ZINC000365818617 434309915 /nfs/dbraw/zinc/30/99/15/434309915.db2.gz GEHPBZLSVVQCTF-QGZVFWFLSA-N 2 2 311.429 3.365 20 30 DGEDLP C=CCOc1cccc(C[N@@H+]2CCC[C@@H](c3[nH+]ccn3C)C2)c1 ZINC000365818617 434309923 /nfs/dbraw/zinc/30/99/23/434309923.db2.gz GEHPBZLSVVQCTF-QGZVFWFLSA-N 2 2 311.429 3.365 20 30 DGEDLP C=CCC[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)c1ccco1 ZINC000287355630 434338419 /nfs/dbraw/zinc/33/84/19/434338419.db2.gz HATRNMJLCAXPRN-DLBZAZTESA-N 2 2 306.450 3.377 20 30 DGEDLP C=CCC[C@@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)c1ccco1 ZINC000287355630 434338430 /nfs/dbraw/zinc/33/84/30/434338430.db2.gz HATRNMJLCAXPRN-DLBZAZTESA-N 2 2 306.450 3.377 20 30 DGEDLP N#Cc1ccc2c(c1)[C@H]([NH2+]C[C@H]1[NH2+]CCc3ccccc31)CC2 ZINC000423416741 434416957 /nfs/dbraw/zinc/41/69/57/434416957.db2.gz FZJODGIDONCOCK-WOJBJXKFSA-N 2 2 303.409 3.022 20 30 DGEDLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]C[C@H](C#N)CCC#N ZINC000577503247 435060523 /nfs/dbraw/zinc/06/05/23/435060523.db2.gz OCAUHFKWPXTJCX-KVPLUYHFSA-N 2 2 324.472 3.176 20 30 DGEDLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]C[C@H](C#N)CCC#N ZINC000577503247 435060527 /nfs/dbraw/zinc/06/05/27/435060527.db2.gz OCAUHFKWPXTJCX-KVPLUYHFSA-N 2 2 324.472 3.176 20 30 DGEDLP C[C@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](Cc2ccc(C#N)cn2)C1 ZINC000516702101 435548191 /nfs/dbraw/zinc/54/81/91/435548191.db2.gz KUUXISYJOHSTHO-WMZOPIPTSA-N 2 2 312.461 3.040 20 30 DGEDLP C[C@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](Cc2ccc(C#N)cn2)C1 ZINC000516702101 435548193 /nfs/dbraw/zinc/54/81/93/435548193.db2.gz KUUXISYJOHSTHO-WMZOPIPTSA-N 2 2 312.461 3.040 20 30 DGEDLP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](Cc2ccc(C#N)cn2)C1 ZINC000516702101 435548197 /nfs/dbraw/zinc/54/81/97/435548197.db2.gz KUUXISYJOHSTHO-WMZOPIPTSA-N 2 2 312.461 3.040 20 30 DGEDLP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](Cc2ccc(C#N)cn2)C1 ZINC000516702101 435548203 /nfs/dbraw/zinc/54/82/03/435548203.db2.gz KUUXISYJOHSTHO-WMZOPIPTSA-N 2 2 312.461 3.040 20 30 DGEDLP C=CC[NH+]1CCC([NH2+]Cc2cn(-c3ccc(C)cc3)nc2C)CC1 ZINC000655730428 435755955 /nfs/dbraw/zinc/75/59/55/435755955.db2.gz JMKDNWQJJSTAMY-UHFFFAOYSA-N 2 2 324.472 3.229 20 30 DGEDLP C=CC[C@H]1CC[C@H]([NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000651681936 435789284 /nfs/dbraw/zinc/78/92/84/435789284.db2.gz GEEXCWCTKVDONC-PXNSSMCTSA-N 2 2 314.473 3.353 20 30 DGEDLP C=CCCCCC[NH2+]C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000656152985 435902316 /nfs/dbraw/zinc/90/23/16/435902316.db2.gz FJYPYMDEMIDAMD-KRWDZBQOSA-N 2 2 315.461 3.350 20 30 DGEDLP C=CC[N@H+](Cc1cccc(C[NH+]2CCOCC2)c1)C(C)(C)C ZINC000661757383 436178345 /nfs/dbraw/zinc/17/83/45/436178345.db2.gz HLLPTMBYEVVBLF-UHFFFAOYSA-N 2 2 302.462 3.305 20 30 DGEDLP C=CC[N@@H+](Cc1cccc(C[NH+]2CCOCC2)c1)C(C)(C)C ZINC000661757383 436178350 /nfs/dbraw/zinc/17/83/50/436178350.db2.gz HLLPTMBYEVVBLF-UHFFFAOYSA-N 2 2 302.462 3.305 20 30 DGEDLP N#Cc1csc(C[NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)c1 ZINC000177684567 312782795 /nfs/dbraw/zinc/78/27/95/312782795.db2.gz AOFVZIAVETXXAR-UHFFFAOYSA-N 2 2 308.410 3.154 20 30 DGEDLP CC1CC[NH+](Cc2ccccc2C[NH2+]C[C@H](C#N)CCC#N)CC1 ZINC000558506824 331915106 /nfs/dbraw/zinc/91/51/06/331915106.db2.gz OKZMSFOCRMBARI-SFHVURJKSA-N 2 2 324.472 3.452 20 30 DGEDLP C=CCOc1ccc(C[NH2+]Cc2c[nH+]c3ccc(C)cn23)cc1 ZINC000512536015 340365987 /nfs/dbraw/zinc/36/59/87/340365987.db2.gz FLTZKURAQSJTHT-UHFFFAOYSA-N 2 2 307.397 3.497 20 30 DGEDLP C=CC[C@H](C)[C@H](C)[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000248827544 341387855 /nfs/dbraw/zinc/38/78/55/341387855.db2.gz KQXZGOIJDOXJHY-BJLQDIEVSA-N 2 2 316.489 3.468 20 30 DGEDLP C=CC[C@H](C)[C@H](C)[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000248827544 341387856 /nfs/dbraw/zinc/38/78/56/341387856.db2.gz KQXZGOIJDOXJHY-BJLQDIEVSA-N 2 2 316.489 3.468 20 30 DGEDLP C[C@H](c1cccnc1)[NH+](C)CC#CC[N@@H+](C)[C@H](C)c1cccnc1 ZINC000351180774 534148858 /nfs/dbraw/zinc/14/88/58/534148858.db2.gz HFZAFRKQAXRWHK-QZTJIDSGSA-N 2 2 322.456 3.166 20 30 DGEDLP C[C@H](c1cccnc1)[NH+](C)CC#CC[N@H+](C)[C@H](C)c1cccnc1 ZINC000351180774 534148863 /nfs/dbraw/zinc/14/88/63/534148863.db2.gz HFZAFRKQAXRWHK-QZTJIDSGSA-N 2 2 322.456 3.166 20 30 DGEDLP Cc1[nH+]c2ccccc2n1CC[NH2+]Cc1ccc(C#N)c(C)c1 ZINC000443977303 534689705 /nfs/dbraw/zinc/68/97/05/534689705.db2.gz HTFVOPAZJJRBSE-UHFFFAOYSA-N 2 2 304.397 3.315 20 30 DGEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2c(C)nn(CCC)c2C)CC1 ZINC000134019737 526601558 /nfs/dbraw/zinc/60/15/58/526601558.db2.gz RKOGYSBSFJJCQO-UHFFFAOYSA-N 2 2 304.482 3.040 20 30 DGEDLP C=CCC(C)(C)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000340427802 527019878 /nfs/dbraw/zinc/01/98/78/527019878.db2.gz SUIFRBZUYBVZJD-SJLPKXTDSA-N 2 2 301.478 3.484 20 30 DGEDLP C=CCC(C)(C)C[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000340427802 527019881 /nfs/dbraw/zinc/01/98/81/527019881.db2.gz SUIFRBZUYBVZJD-SJLPKXTDSA-N 2 2 301.478 3.484 20 30 DGEDLP C#CC[C@@H]([NH2+]C1CC[NH+](Cc2ccncc2)CC1)c1ccccc1 ZINC000360062046 527165441 /nfs/dbraw/zinc/16/54/41/527165441.db2.gz USSKVVKQILUMME-OAQYLSRUSA-N 2 2 319.452 3.400 20 30 DGEDLP CC[NH+]1CCN(c2ccc([NH2+][C@@H]3CC[C@@H](C#N)C3)c(C)c2)CC1 ZINC000442872844 527707780 /nfs/dbraw/zinc/70/77/80/527707780.db2.gz OAIPUIKUBWSEHY-IAGOWNOFSA-N 2 2 312.461 3.241 20 30 DGEDLP CC[NH+](CC)[C@H](C[NH2+][C@@H]1CC[C@@H](C#N)C1)c1cccc(OC)c1 ZINC000442632884 528281104 /nfs/dbraw/zinc/28/11/04/528281104.db2.gz AUFIJQIMQWABFY-SZVBFZGTSA-N 2 2 315.461 3.360 20 30 DGEDLP C#CCOc1ccc(C[NH2+]C[C@@H](c2ccc(C)cc2)[NH+](C)C)cc1 ZINC000733326102 574615935 /nfs/dbraw/zinc/61/59/35/574615935.db2.gz JIQJAODMGZLQFP-NRFANRHFSA-N 2 2 322.452 3.400 20 30 DGEDLP N#Cc1ccc(C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1Cl ZINC000926369619 617979215 /nfs/dbraw/zinc/97/92/15/617979215.db2.gz HFZGKIDNEUSGNP-SJORKVTESA-N 2 2 303.837 3.318 20 30 DGEDLP N#Cc1ccc(C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)cc1Cl ZINC000926369619 617979217 /nfs/dbraw/zinc/97/92/17/617979217.db2.gz HFZGKIDNEUSGNP-SJORKVTESA-N 2 2 303.837 3.318 20 30 DGEDLP CCC[NH+]1CCC([NH2+][C@@H](CC)c2cccc(C#N)c2O)CC1 ZINC000924578046 618117609 /nfs/dbraw/zinc/11/76/09/618117609.db2.gz NXNCAFXAQAXUPC-KRWDZBQOSA-N 2 2 301.434 3.179 20 30 DGEDLP CC[C@H]([NH2+]Cc1ccc(SC)c(C#N)c1)[C@H]1CCCC[NH2+]1 ZINC000925773967 618615125 /nfs/dbraw/zinc/61/51/25/618615125.db2.gz QSBQGGIYVVHPLE-JKSUJKDBSA-N 2 2 303.475 3.290 20 30 DGEDLP C[N@H+](CCCC[NH+]1CCCCC1)Cc1cc(C#N)cnc1Cl ZINC000895683499 618818448 /nfs/dbraw/zinc/81/84/48/618818448.db2.gz MJVAZASAGWQMAC-UHFFFAOYSA-N 2 2 320.868 3.305 20 30 DGEDLP C[N@@H+](CCCC[NH+]1CCCCC1)Cc1cc(C#N)cnc1Cl ZINC000895683499 618818451 /nfs/dbraw/zinc/81/84/51/618818451.db2.gz MJVAZASAGWQMAC-UHFFFAOYSA-N 2 2 320.868 3.305 20 30 DGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@@H]3C[C@H]4CCC[C@H]43)CC2)cc1 ZINC000897955387 619198598 /nfs/dbraw/zinc/19/85/98/619198598.db2.gz UCUAHYRYTHKTHI-MISYRCLQSA-N 2 2 309.457 3.301 20 30 DGEDLP CC[C@@H]([NH2+]C[C@H](C)C[NH+]1CCCC1)c1cccc(C#N)c1O ZINC000924716888 619264740 /nfs/dbraw/zinc/26/47/40/619264740.db2.gz ROYNOCTUDHGCNR-WMLDXEAASA-N 2 2 301.434 3.036 20 30 DGEDLP CC[C@H]([NH2+]C[C@@]1([NH+](C)C)CCSC1)c1cccc(C#N)c1 ZINC000902831839 619681774 /nfs/dbraw/zinc/68/17/74/619681774.db2.gz OEFMXQUFHZSWGM-IRXDYDNUSA-N 2 2 303.475 3.036 20 30 DGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]C[C@]34C[C@H]3CCC4)CC2)cc1 ZINC000922962068 621139857 /nfs/dbraw/zinc/13/98/57/621139857.db2.gz INYCYCNPBZMAGN-QUCCMNQESA-N 2 2 309.457 3.302 20 30 DGEDLP C=CC[NH+]1CCC([NH2+][C@H]2C[C@@H](C)c3c2c(O)ccc3F)CC1 ZINC000756556389 621647693 /nfs/dbraw/zinc/64/76/93/621647693.db2.gz OKGXBKSSCASUPV-DOMZBBRYSA-N 2 2 304.409 3.320 20 30 DGEDLP C=CC[NH+]1CCC([NH2+][C@@H]2C[C@H](C)c3c2c(O)ccc3F)CC1 ZINC000756556399 621648586 /nfs/dbraw/zinc/64/85/86/621648586.db2.gz OKGXBKSSCASUPV-SWLSCSKDSA-N 2 2 304.409 3.320 20 30 DGEDLP C[C@@H]([NH2+]C1CCC(C)([NH+](C)C)CC1)c1cccc(C#N)c1O ZINC000866517996 622131433 /nfs/dbraw/zinc/13/14/33/622131433.db2.gz QJWAMHJYNFFIOD-MJJDPTRDSA-N 2 2 301.434 3.177 20 30 DGEDLP C=C(C)C[NH+]1CCC([NH2+][C@H]2CCc3ccc(Cl)nc32)CC1 ZINC000771179590 622723444 /nfs/dbraw/zinc/72/34/44/622723444.db2.gz SZMNYBKVMYCRMK-HNNXBMFYSA-N 2 2 305.853 3.352 20 30 DGEDLP CC[NH+]1CCN(c2ccc([NH2+][C@@H]3CCC[C@@H](C#N)C3)cc2)CC1 ZINC000774270323 623126389 /nfs/dbraw/zinc/12/63/89/623126389.db2.gz DIVOYHCJWZBRFP-SJLPKXTDSA-N 2 2 312.461 3.323 20 30 DGEDLP C#CCOc1cccc(Cl)c1C[NH2+]CCCCn1cc[nH+]c1 ZINC000778160694 623617977 /nfs/dbraw/zinc/61/79/77/623617977.db2.gz XXGAGSPXFBPBEF-UHFFFAOYSA-N 2 2 317.820 3.119 20 30 DGEDLP CC(C)(C)[C@H](Cn1cc[nH+]c1)[NH2+]Cc1cc(C#N)cnc1Cl ZINC000876957150 623753752 /nfs/dbraw/zinc/75/37/52/623753752.db2.gz VKMMVJAUBZWWGE-AWEZNQCLSA-N 2 2 317.824 3.008 20 30 DGEDLP C[NH+](C)CC[C@@H]([NH2+]Cc1cc(C#N)cnc1Cl)C(C)(C)C ZINC000877037422 623772708 /nfs/dbraw/zinc/77/27/08/623772708.db2.gz QOOMYXBMOJAABL-CQSZACIVSA-N 2 2 308.857 3.063 20 30 DGEDLP C#CCCCCC[N@@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000878170666 624200444 /nfs/dbraw/zinc/20/04/44/624200444.db2.gz LWBWIATWQXFXEO-UHFFFAOYSA-N 2 2 313.489 3.214 20 30 DGEDLP C#CCCCCC[N@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000878170666 624200445 /nfs/dbraw/zinc/20/04/45/624200445.db2.gz LWBWIATWQXFXEO-UHFFFAOYSA-N 2 2 313.489 3.214 20 30 DGEDLP CN(c1ccc([NH2+][C@@H]2CC[C@H](C#N)C2)cc1)C1CC[NH+](C)CC1 ZINC000799721861 626324569 /nfs/dbraw/zinc/32/45/69/626324569.db2.gz YTYPACOPPAQZAZ-DOTOQJQBSA-N 2 2 312.461 3.321 20 30 DGEDLP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)c1cc(Cl)ccc1OCC ZINC000815652793 627695817 /nfs/dbraw/zinc/69/58/17/627695817.db2.gz TVSUJSAXIMRBID-AWEZNQCLSA-N 2 2 308.853 3.344 20 30 DGEDLP C#CC[N@H+](C)CCC[NH2+][C@@H](C)c1cc(Cl)ccc1OCC ZINC000815652793 627695820 /nfs/dbraw/zinc/69/58/20/627695820.db2.gz TVSUJSAXIMRBID-AWEZNQCLSA-N 2 2 308.853 3.344 20 30 DGEDLP N#Cc1ccc(F)c(C[NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)c1 ZINC000925814699 627799234 /nfs/dbraw/zinc/79/92/34/627799234.db2.gz ONRNEHWWDQXZFB-MJGOQNOKSA-N 2 2 309.388 3.280 20 30 DGEDLP CC[C@@H]([NH2+]CC[C@@H]1CCC[N@H+](C)C1)c1cccc(C#N)c1O ZINC000926573259 627916496 /nfs/dbraw/zinc/91/64/96/627916496.db2.gz KNWXIVMQOIUNOZ-WMLDXEAASA-N 2 2 301.434 3.036 20 30 DGEDLP CC[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1cccc(C#N)c1O ZINC000926573259 627916498 /nfs/dbraw/zinc/91/64/98/627916498.db2.gz KNWXIVMQOIUNOZ-WMLDXEAASA-N 2 2 301.434 3.036 20 30 DGEDLP C#CC[N@H+](C)CCC[NH2+]Cc1ccc(-c2ccc(F)cc2)o1 ZINC000328007947 656033505 /nfs/dbraw/zinc/03/35/05/656033505.db2.gz PHPJQLRLIUPTBQ-UHFFFAOYSA-N 2 2 300.377 3.130 20 30 DGEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1ccc(-c2ccc(F)cc2)o1 ZINC000328007947 656033509 /nfs/dbraw/zinc/03/35/09/656033509.db2.gz PHPJQLRLIUPTBQ-UHFFFAOYSA-N 2 2 300.377 3.130 20 30 DGEDLP N#CC1(CCCC[N@@H+]2CCC[C@@H]([NH2+]C3CCOCC3)C2)CCC1 ZINC000931652241 656445143 /nfs/dbraw/zinc/44/51/43/656445143.db2.gz WJCJVAOWTUGQHQ-GOSISDBHSA-N 2 2 319.493 3.084 20 30 DGEDLP N#CC1(CCCC[N@H+]2CCC[C@@H]([NH2+]C3CCOCC3)C2)CCC1 ZINC000931652241 656445146 /nfs/dbraw/zinc/44/51/46/656445146.db2.gz WJCJVAOWTUGQHQ-GOSISDBHSA-N 2 2 319.493 3.084 20 30 DGEDLP Cc1ccc(NC(=[NH2+])NC[C@@H](c2ccccc2)[NH+](C)C)cc1C ZINC000303716298 657557277 /nfs/dbraw/zinc/55/72/77/657557277.db2.gz SOUDBFMFBCBRNX-SFHVURJKSA-N 2 2 310.445 3.333 20 30 DGEDLP CC[NH+](CC)[C@@H](C[NH+]=C(N(C)C)N(C)C)c1ccccc1Cl ZINC000303786473 657563694 /nfs/dbraw/zinc/56/36/94/657563694.db2.gz RKXXBCQNLPCULW-INIZCTEOSA-N 2 2 324.900 3.202 20 30 DGEDLP CC[NH+](CC)[C@@H](CNC(=[NH2+])NCCC(C)C)c1ccsc1 ZINC000303895811 657575398 /nfs/dbraw/zinc/57/53/98/657575398.db2.gz PQGWUCKTKHJLAC-HNNXBMFYSA-N 2 2 310.511 3.081 20 30 DGEDLP N#CC1(CCCC[N@@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)CCC1 ZINC000930319185 661388844 /nfs/dbraw/zinc/38/88/44/661388844.db2.gz GXYABOIKKUBPLW-GOSISDBHSA-N 2 2 319.493 3.037 20 30 DGEDLP N#CC1(CCCC[N@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)CCC1 ZINC000930319185 661388845 /nfs/dbraw/zinc/38/88/45/661388845.db2.gz GXYABOIKKUBPLW-GOSISDBHSA-N 2 2 319.493 3.037 20 30 DGEDLP C[NH+](CCC[N@@H+](C)CC1CCC(C#N)CC1)Cc1ccco1 ZINC000930476076 661402260 /nfs/dbraw/zinc/40/22/60/661402260.db2.gz NTTZYHSVDJQPBZ-UHFFFAOYSA-N 2 2 303.450 3.363 20 30 DGEDLP C[NH+](CCC[N@H+](C)CC1CCC(C#N)CC1)Cc1ccco1 ZINC000930476076 661402261 /nfs/dbraw/zinc/40/22/61/661402261.db2.gz NTTZYHSVDJQPBZ-UHFFFAOYSA-N 2 2 303.450 3.363 20 30 DGEDLP C[NH+](CCC[N@H+](C)Cc1ccco1)CC1CCC(C#N)CC1 ZINC000930476076 661402262 /nfs/dbraw/zinc/40/22/62/661402262.db2.gz NTTZYHSVDJQPBZ-UHFFFAOYSA-N 2 2 303.450 3.363 20 30 DGEDLP C[NH+](CCC[N@@H+](C)Cc1ccco1)CC1CCC(C#N)CC1 ZINC000930476076 661402263 /nfs/dbraw/zinc/40/22/63/661402263.db2.gz NTTZYHSVDJQPBZ-UHFFFAOYSA-N 2 2 303.450 3.363 20 30 DGEDLP C#CCOc1ccccc1C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000247237381 662305011 /nfs/dbraw/zinc/30/50/11/662305011.db2.gz WQSXFSJKKCYLHN-PXNSSMCTSA-N 2 2 324.468 3.147 20 30 DGEDLP C#CCOc1ccccc1C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000247237381 662305012 /nfs/dbraw/zinc/30/50/12/662305012.db2.gz WQSXFSJKKCYLHN-PXNSSMCTSA-N 2 2 324.468 3.147 20 30 DGEDLP C#CCOc1ccccc1C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000247237381 662305015 /nfs/dbraw/zinc/30/50/15/662305015.db2.gz WQSXFSJKKCYLHN-PXNSSMCTSA-N 2 2 324.468 3.147 20 30 DGEDLP C#CCOc1ccccc1C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000247237381 662305017 /nfs/dbraw/zinc/30/50/17/662305017.db2.gz WQSXFSJKKCYLHN-PXNSSMCTSA-N 2 2 324.468 3.147 20 30 DGEDLP C=CC[NH+](CC=C)Cc1ccc(C[NH+](C)C)c2c1OC(F)(F)O2 ZINC001462005972 1182893507 /nfs/dbraw/zinc/89/35/07/1182893507.db2.gz FRHZXEMWLBYPMN-UHFFFAOYSA-N 2 2 324.371 3.244 20 30 DGEDLP C=CCCC[NH2+][C@@H](C)[C@@H](C)NC(=O)c1c(C)cc(C)[nH+]c1C ZINC001505659085 1186120590 /nfs/dbraw/zinc/12/05/90/1186120590.db2.gz BWTHVCHDGJAXSW-LSDHHAIUSA-N 2 2 303.450 3.069 20 30 DGEDLP C=CC[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)c1c(C)cc(C)[nH+]c1C ZINC001569162122 1190647560 /nfs/dbraw/zinc/64/75/60/1190647560.db2.gz AAUYDECGRHRIJJ-DLBZAZTESA-N 2 2 315.461 3.071 20 30 DGEDLP CC1(C)[C@H]([NH2+]CC#Cc2ccccc2Cl)[C@@H]2CCC[NH2+][C@H]21 ZINC001576379990 1191576277 /nfs/dbraw/zinc/57/62/77/1191576277.db2.gz FFUBRQLSQUQNGW-USXIJHARSA-N 2 2 302.849 3.058 20 30 DGEDLP N#CCc1ccc(C[NH2+][C@H](Cn2cc[nH+]c2)c2ccccc2)cc1 ZINC001644291877 1195096661 /nfs/dbraw/zinc/09/66/61/1195096661.db2.gz QYZCZMYIYJLJAE-HXUWFJFHSA-N 2 2 316.408 3.480 20 30 DGEDLP C=CC[NH+]1CCC([NH2+]Cc2ccc(N(CC)CC)c(F)c2)CC1 ZINC001657104852 1196106587 /nfs/dbraw/zinc/10/65/87/1196106587.db2.gz IRSWHLMOABRDTF-UHFFFAOYSA-N 2 2 319.468 3.412 20 30 DGEDLP C=C(C)C[NH2+]CC[C@@H]1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001672830091 1197624723 /nfs/dbraw/zinc/62/47/23/1197624723.db2.gz CXHLOVDAGUTDQD-QGZVFWFLSA-N 2 2 315.461 3.025 20 30 DGEDLP C#CCCOc1ccc(C[NH+]2CCC([NH+](CC)CC)CC2)cc1 ZINC000121704476 1200227133 /nfs/dbraw/zinc/22/71/33/1200227133.db2.gz HCXAWNQXHDVZNS-UHFFFAOYSA-N 2 2 314.473 3.395 20 30 DGEDLP C=C(C)CC[N@H+](CC)CCCNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001689945221 1200340461 /nfs/dbraw/zinc/34/04/61/1200340461.db2.gz DIUSKGOUYSPUEO-UHFFFAOYSA-N 2 2 317.477 3.415 20 30 DGEDLP C=C(C)CC[N@@H+](CC)CCCNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001689945221 1200340464 /nfs/dbraw/zinc/34/04/64/1200340464.db2.gz DIUSKGOUYSPUEO-UHFFFAOYSA-N 2 2 317.477 3.415 20 30 DGEDLP C=CC[NH2+][C@H](C)C1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)CC1 ZINC001714810047 1203133823 /nfs/dbraw/zinc/13/38/23/1203133823.db2.gz BELHHOXAJLVQOB-OAHLLOKOSA-N 2 2 315.461 3.023 20 30 DGEDLP C=CCC[N@@H+](CCCNC(=O)c1c(C)cc(C)[nH+]c1C)C(C)C ZINC001714825635 1203140892 /nfs/dbraw/zinc/14/08/92/1203140892.db2.gz RVXFJMVYDYTMAO-UHFFFAOYSA-N 2 2 317.477 3.413 20 30 DGEDLP C=CCC[N@H+](CCCNC(=O)c1c(C)cc(C)[nH+]c1C)C(C)C ZINC001714825635 1203140895 /nfs/dbraw/zinc/14/08/95/1203140895.db2.gz RVXFJMVYDYTMAO-UHFFFAOYSA-N 2 2 317.477 3.413 20 30 DGEDLP C=C(C)C[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)c1c(C)cc(C)[nH+]c1C ZINC001716065346 1203438212 /nfs/dbraw/zinc/43/82/12/1203438212.db2.gz MHGSKDKHRDIRAI-IRXDYDNUSA-N 2 2 315.461 3.071 20 30 DGEDLP CCCCCCC[NH2+]CCNC(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001130006374 1082518750 /nfs/dbraw/zinc/51/87/50/1082518750.db2.gz FFCZHMZPKNQINQ-QGZVFWFLSA-N 2 2 322.497 3.147 20 30 DGEDLP C=CC[NH2+]Cc1ccc(CNC(=O)c2c(C)cc(C)[nH+]c2C)cc1 ZINC001267936504 1083600488 /nfs/dbraw/zinc/60/04/88/1083600488.db2.gz IMYSTDPDEMNGDM-UHFFFAOYSA-N 2 2 323.440 3.212 20 30 DGEDLP C=CCOCCC[NH2+][C@H]1C[C@@H](C)C[N@@H+](Cc2ccccc2)C1 ZINC001182919282 1083830381 /nfs/dbraw/zinc/83/03/81/1083830381.db2.gz YTHCMIKGMINMRN-MJGOQNOKSA-N 2 2 302.462 3.079 20 30 DGEDLP C=CCOCCC[NH2+][C@H]1C[C@@H](C)C[N@H+](Cc2ccccc2)C1 ZINC001182919282 1083830386 /nfs/dbraw/zinc/83/03/86/1083830386.db2.gz YTHCMIKGMINMRN-MJGOQNOKSA-N 2 2 302.462 3.079 20 30 DGEDLP C=C(C)C[N@@H+]1CC[C@@H](CCNC(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001481442182 1083921546 /nfs/dbraw/zinc/92/15/46/1083921546.db2.gz WPRLLZNXGHTAMZ-QGZVFWFLSA-N 2 2 315.461 3.025 20 30 DGEDLP C=C(C)C[N@H+]1CC[C@@H](CCNC(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001481442182 1083921552 /nfs/dbraw/zinc/92/15/52/1083921552.db2.gz WPRLLZNXGHTAMZ-QGZVFWFLSA-N 2 2 315.461 3.025 20 30 DGEDLP C=C(C)CC[NH2+]CCN(CC)C(=O)c1c(C)cc(C)[nH+]c1C ZINC001273521710 1084652512 /nfs/dbraw/zinc/65/25/12/1084652512.db2.gz QAOHFTRFPQXCIH-UHFFFAOYSA-N 2 2 303.450 3.025 20 30 DGEDLP C=CCC[C@H](C)[NH2+]CCCNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001162910039 1090019407 /nfs/dbraw/zinc/01/94/07/1090019407.db2.gz HTLLZAQFTNYRIF-AWEZNQCLSA-N 2 2 303.450 3.071 20 30 DGEDLP O=C1C=C(Nc2ccc3c(c2)[nH+]cn3[C@H]2CCC[NH2+]CC2)CCC1 ZINC001163454606 1090190986 /nfs/dbraw/zinc/19/09/86/1090190986.db2.gz ZOTMFCSVJOINBX-INIZCTEOSA-N 2 2 324.428 3.400 20 30 DGEDLP Cc1c[nH+]ccc1O[C@@H]1CC[N@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001205502355 1091236301 /nfs/dbraw/zinc/23/63/01/1091236301.db2.gz RZIORJSWBKXCDG-MRXNPFEDSA-N 2 2 311.360 3.054 20 30 DGEDLP Cc1c[nH+]ccc1O[C@@H]1CC[N@@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001205502355 1091236314 /nfs/dbraw/zinc/23/63/14/1091236314.db2.gz RZIORJSWBKXCDG-MRXNPFEDSA-N 2 2 311.360 3.054 20 30 DGEDLP C=C(C)COc1ccccc1C[NH+]1C[C@H]2C[N@H+](CC)C[C@H]2C1 ZINC001138666612 1091283184 /nfs/dbraw/zinc/28/31/84/1091283184.db2.gz ZWUJHOMUYKHFIW-HDICACEKSA-N 2 2 300.446 3.025 20 30 DGEDLP C=C(C)COc1ccccc1C[NH+]1C[C@H]2C[N@@H+](CC)C[C@H]2C1 ZINC001138666612 1091283185 /nfs/dbraw/zinc/28/31/85/1091283185.db2.gz ZWUJHOMUYKHFIW-HDICACEKSA-N 2 2 300.446 3.025 20 30 DGEDLP C=C(C)COc1ccccc1C[N@@H+]1C[C@H]2C[NH+](CC)C[C@H]2C1 ZINC001138666612 1091283191 /nfs/dbraw/zinc/28/31/91/1091283191.db2.gz ZWUJHOMUYKHFIW-HDICACEKSA-N 2 2 300.446 3.025 20 30 DGEDLP C=C(C)COc1ccccc1C[N@H+]1C[C@H]2C[NH+](CC)C[C@H]2C1 ZINC001138666612 1091283197 /nfs/dbraw/zinc/28/31/97/1091283197.db2.gz ZWUJHOMUYKHFIW-HDICACEKSA-N 2 2 300.446 3.025 20 30 DGEDLP CCCC[N@H+](CCC#N)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC001206709315 1091708936 /nfs/dbraw/zinc/70/89/36/1091708936.db2.gz CPNIMFJQOXPBRV-UHFFFAOYSA-N 2 2 315.461 3.035 20 30 DGEDLP CCCC[N@@H+](CCC#N)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC001206709315 1091708944 /nfs/dbraw/zinc/70/89/44/1091708944.db2.gz CPNIMFJQOXPBRV-UHFFFAOYSA-N 2 2 315.461 3.035 20 30 DGEDLP C[N@H+](C1CC1)C1CC[NH+](Cc2c[nH]c3ccc(C#N)cc23)CC1 ZINC001140116428 1091772954 /nfs/dbraw/zinc/77/29/54/1091772954.db2.gz YSKMIEMVVQRDFO-UHFFFAOYSA-N 2 2 308.429 3.098 20 30 DGEDLP C[N@@H+](C1CC1)C1CC[NH+](Cc2c[nH]c3ccc(C#N)cc23)CC1 ZINC001140116428 1091772957 /nfs/dbraw/zinc/77/29/57/1091772957.db2.gz YSKMIEMVVQRDFO-UHFFFAOYSA-N 2 2 308.429 3.098 20 30 DGEDLP CC(C)[N@H+](Cc1cc(F)c(C#N)c(F)c1)C1CC[NH+](C)CC1 ZINC001140755936 1091987764 /nfs/dbraw/zinc/98/77/64/1091987764.db2.gz ZDVJLZXIFRATBY-UHFFFAOYSA-N 2 2 307.388 3.141 20 30 DGEDLP CC(C)[N@@H+](Cc1cc(F)c(C#N)c(F)c1)C1CC[NH+](C)CC1 ZINC001140755936 1091987768 /nfs/dbraw/zinc/98/77/68/1091987768.db2.gz ZDVJLZXIFRATBY-UHFFFAOYSA-N 2 2 307.388 3.141 20 30 DGEDLP Cc1c[nH+]ccc1O[C@H]1CC[N@H+](CCCc2cccc(C#N)c2)C1 ZINC001208853979 1092543417 /nfs/dbraw/zinc/54/34/17/1092543417.db2.gz FAIOMZFAPXTTGM-IBGZPJMESA-N 2 2 321.424 3.348 20 30 DGEDLP Cc1c[nH+]ccc1O[C@H]1CC[N@@H+](CCCc2cccc(C#N)c2)C1 ZINC001208853979 1092543432 /nfs/dbraw/zinc/54/34/32/1092543432.db2.gz FAIOMZFAPXTTGM-IBGZPJMESA-N 2 2 321.424 3.348 20 30 DGEDLP C=CCCCCCC[NH+]1CCN(c2cc(OC)cc[nH+]2)CC1 ZINC001209440488 1092774692 /nfs/dbraw/zinc/77/46/92/1092774692.db2.gz KYWUYHIBHIVFRC-UHFFFAOYSA-N 2 2 303.450 3.349 20 30 DGEDLP C=C(C)CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1c(C)cc(C)[nH+]c1C ZINC001135042951 1094373435 /nfs/dbraw/zinc/37/34/35/1094373435.db2.gz DZSFXQLPVNUHOE-GOEBONIOSA-N 2 2 317.477 3.460 20 30 DGEDLP N#Cc1cccc(C[N@@H+]2CCCC[C@]3(CCCC[NH2+]C3)C2)c1F ZINC001222171848 1095475748 /nfs/dbraw/zinc/47/57/48/1095475748.db2.gz GFMOBDLUNARKQZ-IBGZPJMESA-N 2 2 315.436 3.443 20 30 DGEDLP N#Cc1cccc(C[N@H+]2CCCC[C@]3(CCCC[NH2+]C3)C2)c1F ZINC001222171848 1095475754 /nfs/dbraw/zinc/47/57/54/1095475754.db2.gz GFMOBDLUNARKQZ-IBGZPJMESA-N 2 2 315.436 3.443 20 30 DGEDLP C[C@@H]1C[C@H]([NH2+]Cc2cncc(C#N)c2)CC[N@@H+]1Cc1ccccc1 ZINC000721557452 1097523821 /nfs/dbraw/zinc/52/38/21/1097523821.db2.gz BCBOKNGJCXDXNY-OXQOHEQNSA-N 2 2 320.440 3.096 20 30 DGEDLP C[C@@H]1C[C@H]([NH2+]Cc2cncc(C#N)c2)CC[N@H+]1Cc1ccccc1 ZINC000721557452 1097523830 /nfs/dbraw/zinc/52/38/30/1097523830.db2.gz BCBOKNGJCXDXNY-OXQOHEQNSA-N 2 2 320.440 3.096 20 30 DGEDLP Cc1c[nH+]ccc1O[C@H]1CC[N@H+](Cc2ccc(C#N)cc2C)C1 ZINC001233083559 1098223338 /nfs/dbraw/zinc/22/33/38/1098223338.db2.gz PVSCRHYZDWIUNO-SFHVURJKSA-N 2 2 307.397 3.223 20 30 DGEDLP Cc1c[nH+]ccc1O[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2C)C1 ZINC001233083559 1098223343 /nfs/dbraw/zinc/22/33/43/1098223343.db2.gz PVSCRHYZDWIUNO-SFHVURJKSA-N 2 2 307.397 3.223 20 30 DGEDLP Cc1ncsc1C[N@@H+]1CC[C@]2(C1)CCC[NH+](CCCC#N)C2 ZINC001277943572 1099010399 /nfs/dbraw/zinc/01/03/99/1099010399.db2.gz ZDTINJKNSYPJKO-QGZVFWFLSA-N 2 2 318.490 3.043 20 30 DGEDLP Cc1ncsc1C[N@H+]1CC[C@]2(C1)CCC[NH+](CCCC#N)C2 ZINC001277943572 1099010412 /nfs/dbraw/zinc/01/04/12/1099010412.db2.gz ZDTINJKNSYPJKO-QGZVFWFLSA-N 2 2 318.490 3.043 20 30 DGEDLP Cc1ncsc1C[NH+]1CC[C@]2(C1)CCC[N@H+](CCCC#N)C2 ZINC001277943572 1099010425 /nfs/dbraw/zinc/01/04/25/1099010425.db2.gz ZDTINJKNSYPJKO-QGZVFWFLSA-N 2 2 318.490 3.043 20 30 DGEDLP Cc1ncsc1C[NH+]1CC[C@]2(C1)CCC[N@@H+](CCCC#N)C2 ZINC001277943572 1099010435 /nfs/dbraw/zinc/01/04/35/1099010435.db2.gz ZDTINJKNSYPJKO-QGZVFWFLSA-N 2 2 318.490 3.043 20 30 DGEDLP C=C(C)C[NH2+]CCCCCCNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001179084735 1099013266 /nfs/dbraw/zinc/01/32/66/1099013266.db2.gz JOWSJGKHPATNPD-UHFFFAOYSA-N 2 2 317.477 3.463 20 30 DGEDLP N#Cc1cccc(C2CC[NH+](C[C@H]([NH3+])Cc3ccccc3)CC2)c1 ZINC001235718484 1099146126 /nfs/dbraw/zinc/14/61/26/1099146126.db2.gz IQDUJZREUZNCTL-OAQYLSRUSA-N 2 2 319.452 3.308 20 30 DGEDLP CCCCCCC[NH2+]CCCCCCNC(=O)Cc1[nH]cc[nH+]1 ZINC001179907182 1099255432 /nfs/dbraw/zinc/25/54/32/1099255432.db2.gz YAHFHUKVFBNHFG-UHFFFAOYSA-N 2 2 322.497 3.189 20 30 DGEDLP C[N@H+](Cc1ccc(C#N)c(Br)c1)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001236219891 1099478219 /nfs/dbraw/zinc/47/82/19/1099478219.db2.gz YCBHISQRHCMPKY-LSDHHAIUSA-N 2 2 322.250 3.022 20 30 DGEDLP C[N@@H+](Cc1ccc(C#N)c(Br)c1)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001236219891 1099478225 /nfs/dbraw/zinc/47/82/25/1099478225.db2.gz YCBHISQRHCMPKY-LSDHHAIUSA-N 2 2 322.250 3.022 20 30 DGEDLP N#Cc1ccc(/C=C/c2ccccc2C[N@H+]2CC[C@H]([NH3+])C2)cc1 ZINC001239304470 1100626266 /nfs/dbraw/zinc/62/62/66/1100626266.db2.gz RZTJGBLJYCVTJH-XTXLJPNXSA-N 2 2 303.409 3.262 20 30 DGEDLP N#Cc1ccc(/C=C/c2ccccc2C[N@@H+]2CC[C@H]([NH3+])C2)cc1 ZINC001239304470 1100626268 /nfs/dbraw/zinc/62/62/68/1100626268.db2.gz RZTJGBLJYCVTJH-XTXLJPNXSA-N 2 2 303.409 3.262 20 30 DGEDLP Cn1c[nH+]cc1C1CC[NH+](Cc2cc(Cl)cc(C#N)c2)CC1 ZINC001198771493 1101981416 /nfs/dbraw/zinc/98/14/16/1101981416.db2.gz WKXBXZOWEFURLB-UHFFFAOYSA-N 2 2 314.820 3.325 20 30 DGEDLP N#CC1(c2ccc(-c3ccccc3C[N@H+]3CC[C@@H]([NH3+])C3)cc2)CC1 ZINC001243424818 1102715742 /nfs/dbraw/zinc/71/57/42/1102715742.db2.gz UCACRQLYZAOSPE-LJQANCHMSA-N 2 2 317.436 3.442 20 30 DGEDLP N#CC1(c2ccc(-c3ccccc3C[N@@H+]3CC[C@@H]([NH3+])C3)cc2)CC1 ZINC001243424818 1102715752 /nfs/dbraw/zinc/71/57/52/1102715752.db2.gz UCACRQLYZAOSPE-LJQANCHMSA-N 2 2 317.436 3.442 20 30 DGEDLP C=CCCCCCC[C@@H](O)C[N@@H+]1CCC[C@]2(CCCC[NH2+]2)C1 ZINC001246020525 1104355017 /nfs/dbraw/zinc/35/50/17/1104355017.db2.gz CKLPLTXALLXMMU-RTBURBONSA-N 2 2 308.510 3.482 20 30 DGEDLP C=CCCCCCC[C@@H](O)C[N@H+]1CCC[C@]2(CCCC[NH2+]2)C1 ZINC001246020525 1104355028 /nfs/dbraw/zinc/35/50/28/1104355028.db2.gz CKLPLTXALLXMMU-RTBURBONSA-N 2 2 308.510 3.482 20 30 DGEDLP CCCCCCCCCC[C@@H](O)C[N@@H+]1CC[C@@](F)(C[NH3+])C1 ZINC001246065572 1104364541 /nfs/dbraw/zinc/36/45/41/1104364541.db2.gz WTECGICDVRIBKK-IAGOWNOFSA-N 2 2 302.478 3.251 20 30 DGEDLP CCCCCCCCCC[C@@H](O)C[N@H+]1CC[C@@](F)(C[NH3+])C1 ZINC001246065572 1104364553 /nfs/dbraw/zinc/36/45/53/1104364553.db2.gz WTECGICDVRIBKK-IAGOWNOFSA-N 2 2 302.478 3.251 20 30 DGEDLP C=CCC[C@H](C)[N@@H+](C)C[C@@H](C)NC(=O)c1c(C)cc(C)[nH+]c1C ZINC001275607382 1104830409 /nfs/dbraw/zinc/83/04/09/1104830409.db2.gz PISHFFLEQHGZBX-CVEARBPZSA-N 2 2 317.477 3.412 20 30 DGEDLP C=CCC[C@H](C)[N@H+](C)C[C@@H](C)NC(=O)c1c(C)cc(C)[nH+]c1C ZINC001275607382 1104830412 /nfs/dbraw/zinc/83/04/12/1104830412.db2.gz PISHFFLEQHGZBX-CVEARBPZSA-N 2 2 317.477 3.412 20 30 DGEDLP CCc1cc(C#N)ccc1C[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2C)C1 ZINC001248753150 1105156052 /nfs/dbraw/zinc/15/60/52/1105156052.db2.gz URIDXLCEAJAVPW-LJQANCHMSA-N 2 2 321.424 3.477 20 30 DGEDLP CCc1cc(C#N)ccc1C[N@H+]1CC[C@@H](Oc2cc[nH+]cc2C)C1 ZINC001248753150 1105156055 /nfs/dbraw/zinc/15/60/55/1105156055.db2.gz URIDXLCEAJAVPW-LJQANCHMSA-N 2 2 321.424 3.477 20 30 DGEDLP C=CCC[C@@H](O)C[NH2+]C1CC[NH+](Cc2cccc(F)c2C)CC1 ZINC001252620191 1105805803 /nfs/dbraw/zinc/80/58/03/1105805803.db2.gz RQCAPSISWLWQPT-GOSISDBHSA-N 2 2 320.452 3.015 20 30 DGEDLP N#CC1CCC([NH2+][C@H](C[NH3+])c2ccc(Br)cc2)CC1 ZINC001256957750 1106515114 /nfs/dbraw/zinc/51/51/14/1106515114.db2.gz CUSQJCVJWFBTDW-WDIPEOLASA-N 2 2 322.250 3.121 20 30 DGEDLP C=C(C)CC[NH2+][C@@H](C)[C@H](C)NC(=O)c1c(C)cc(C)[nH+]c1C ZINC001282177564 1109463205 /nfs/dbraw/zinc/46/32/05/1109463205.db2.gz WYKXOKVCGLUKOM-GJZGRUSLSA-N 2 2 303.450 3.069 20 30 DGEDLP C=C(C)C[NH2+]C[C@H](NC(=O)c1c(C)cc(C)[nH+]c1C)C(C)(C)C ZINC001284607236 1109823806 /nfs/dbraw/zinc/82/38/06/1109823806.db2.gz DMJKGBGDDHHHHN-INIZCTEOSA-N 2 2 317.477 3.317 20 30 DGEDLP Cc1c[nH+]ccc1OC1CC[NH+](CC#Cc2ccc(F)cc2)CC1 ZINC000278524290 214211436 /nfs/dbraw/zinc/21/14/36/214211436.db2.gz DAPGLTAQNZKUGJ-UHFFFAOYSA-N 2 2 324.399 3.424 20 30 DGEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2c(Cl)n(C)nc2C(C)C)CC1 ZINC000106245303 432020094 /nfs/dbraw/zinc/02/00/94/432020094.db2.gz PHDSQNOTIWTWFL-UHFFFAOYSA-N 2 2 324.900 3.327 20 30 DGEDLP N#C[C@@H]1CC[C@@H]([NH2+]Cc2c(Cl)cccc2-n2cc[nH+]c2)C1 ZINC000449352682 240151624 /nfs/dbraw/zinc/15/16/24/240151624.db2.gz XSVLSWMCOGIATB-CHWSQXEVSA-N 2 2 300.793 3.308 20 30 DGEDLP Cc1ccncc1C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000449524548 240267148 /nfs/dbraw/zinc/26/71/48/240267148.db2.gz OQOPTWUGSWSASX-UHFFFAOYSA-N 2 2 320.440 3.016 20 30 DGEDLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+]Cc1cccc(C#N)c1 ZINC000246300735 432117354 /nfs/dbraw/zinc/11/73/54/432117354.db2.gz VGGPPILMPCKLKS-OXQOHEQNSA-N 2 2 305.425 3.168 20 30 DGEDLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+]Cc1cccc(C#N)c1 ZINC000246300735 432117358 /nfs/dbraw/zinc/11/73/58/432117358.db2.gz VGGPPILMPCKLKS-OXQOHEQNSA-N 2 2 305.425 3.168 20 30 DGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]C[C@@H]3CCCS3)CC2)cc1 ZINC000181887478 432148310 /nfs/dbraw/zinc/14/83/10/432148310.db2.gz MEQVFFBDNQDSRV-SFHVURJKSA-N 2 2 315.486 3.008 20 30 DGEDLP C=CCCOCC[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000090883611 400080851 /nfs/dbraw/zinc/08/08/51/400080851.db2.gz GNWRKBUWYPDNGO-UHFFFAOYSA-N 2 2 322.880 3.487 20 30 DGEDLP C[NH2+]C[C@H]1CCC[N@H+](Cc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000595890218 400287786 /nfs/dbraw/zinc/28/77/86/400287786.db2.gz CYBUTDYOLCSUOP-CYBMUJFWSA-N 2 2 311.351 3.008 20 30 DGEDLP C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000595890218 400287791 /nfs/dbraw/zinc/28/77/91/400287791.db2.gz CYBUTDYOLCSUOP-CYBMUJFWSA-N 2 2 311.351 3.008 20 30 DGEDLP C[C@@H](CCC#N)C[NH2+]C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000602517305 400486007 /nfs/dbraw/zinc/48/60/07/400486007.db2.gz GCBLOKMANUADNK-HNNXBMFYSA-N 2 2 303.425 3.320 20 30 DGEDLP C[C@H]1C[C@H]([NH2+]C2CC[NH+](Cc3cccc(C#N)c3)CC2)CS1 ZINC000602708950 400547050 /nfs/dbraw/zinc/54/70/50/400547050.db2.gz ZQRDLLDDXFLWOM-KSSFIOAISA-N 2 2 315.486 3.006 20 30 DGEDLP Cc1cc(C#N)ccc1C[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000614403363 400895279 /nfs/dbraw/zinc/89/52/79/400895279.db2.gz UVSGOYDEJFAQLU-UHFFFAOYSA-N 2 2 306.413 3.338 20 30 DGEDLP N#Cc1cccc(C[NH+]2CCC([NH2+]Cc3ccc(O)cc3)CC2)c1 ZINC000593701991 400896016 /nfs/dbraw/zinc/89/60/16/400896016.db2.gz JRBPIVVYDRAQKL-UHFFFAOYSA-N 2 2 321.424 3.018 20 30 DGEDLP Cc1cccn2c(C[NH2+]Cc3ccc(C#N)c(Cl)c3)c[nH+]c12 ZINC000619748967 400898490 /nfs/dbraw/zinc/89/84/90/400898490.db2.gz ZPXQWTBFPLMLBD-UHFFFAOYSA-N 2 2 310.788 3.458 20 30 DGEDLP C[C@@H]1CC(F)(F)CC[NH+]1CC#CC[N@H+]1CCC(F)(F)C[C@@H]1C ZINC000625980781 401272597 /nfs/dbraw/zinc/27/25/97/401272597.db2.gz QHIVVKIIKPNUJH-OKILXGFUSA-N 2 2 320.374 3.229 20 30 DGEDLP C[C@@H]1CC(F)(F)CC[NH+]1CC#CC[N@@H+]1CCC(F)(F)C[C@@H]1C ZINC000625980781 401272600 /nfs/dbraw/zinc/27/26/00/401272600.db2.gz QHIVVKIIKPNUJH-OKILXGFUSA-N 2 2 320.374 3.229 20 30 DGEDLP C[C@@H]1CC(F)(F)CC[N@H+]1CC#CC[NH+]1CCC(F)(F)C[C@@H]1C ZINC000625980781 401272603 /nfs/dbraw/zinc/27/26/03/401272603.db2.gz QHIVVKIIKPNUJH-OKILXGFUSA-N 2 2 320.374 3.229 20 30 DGEDLP C[C@@H]1CC(F)(F)CC[N@@H+]1CC#CC[NH+]1CCC(F)(F)C[C@@H]1C ZINC000625980781 401272605 /nfs/dbraw/zinc/27/26/05/401272605.db2.gz QHIVVKIIKPNUJH-OKILXGFUSA-N 2 2 320.374 3.229 20 30 DGEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2ccc(Br)o2)CC1 ZINC000190977889 432207821 /nfs/dbraw/zinc/20/78/21/432207821.db2.gz UACSGCQJCGJRJZ-UHFFFAOYSA-N 2 2 313.239 3.172 20 30 DGEDLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H]1CCc3ccc(C#N)cc31)CCC2 ZINC000353255806 267532766 /nfs/dbraw/zinc/53/27/66/267532766.db2.gz OGBQKVLJYRKFAM-FUHWJXTLSA-N 2 2 306.413 3.218 20 30 DGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@@H]3CC[C@@H](F)C3)CC2)cc1 ZINC000348410323 268065047 /nfs/dbraw/zinc/06/50/47/268065047.db2.gz OHPGJODQFQITDV-SJLPKXTDSA-N 2 2 301.409 3.003 20 30 DGEDLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+]Cc1ccc(C#N)cc1 ZINC000151554038 432255617 /nfs/dbraw/zinc/25/56/17/432255617.db2.gz ROSXRZYBYAGFMO-UZLBHIALSA-N 2 2 305.425 3.168 20 30 DGEDLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+]Cc1ccc(C#N)cc1 ZINC000151554038 432255618 /nfs/dbraw/zinc/25/56/18/432255618.db2.gz ROSXRZYBYAGFMO-UZLBHIALSA-N 2 2 305.425 3.168 20 30 DGEDLP C[C@H]1[C@H]([NH2+]C2CCC(C#N)(c3ccccc3)CC2)CCC[N@@H+]1C ZINC000346337559 280119139 /nfs/dbraw/zinc/11/91/39/280119139.db2.gz TUCGZEMUOWUACA-OXHPOLQJSA-N 2 2 311.473 3.463 20 30 DGEDLP C[C@H]1[C@H]([NH2+]C2CCC(C#N)(c3ccccc3)CC2)CCC[N@H+]1C ZINC000346337559 280119143 /nfs/dbraw/zinc/11/91/43/280119143.db2.gz TUCGZEMUOWUACA-OXHPOLQJSA-N 2 2 311.473 3.463 20 30 DGEDLP CC1(C)C[N@@H+](C2(C[NH2+][C@H]3CC[C@H](C#N)C3)CCCCC2)CCO1 ZINC000442767757 281230248 /nfs/dbraw/zinc/23/02/48/281230248.db2.gz NHQUOKHICTXYGY-IRXDYDNUSA-N 2 2 319.493 3.082 20 30 DGEDLP CC1(C)C[N@H+](C2(C[NH2+][C@H]3CC[C@H](C#N)C3)CCCCC2)CCO1 ZINC000442767757 281230251 /nfs/dbraw/zinc/23/02/51/281230251.db2.gz NHQUOKHICTXYGY-IRXDYDNUSA-N 2 2 319.493 3.082 20 30 DGEDLP C=CC[C@H](C)[C@H](C)[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000191839347 432308325 /nfs/dbraw/zinc/30/83/25/432308325.db2.gz KQXZGOIJDOXJHY-CMKODMSKSA-N 2 2 316.489 3.468 20 30 DGEDLP C=CC[C@H](C)[C@H](C)[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000191839347 432308331 /nfs/dbraw/zinc/30/83/31/432308331.db2.gz KQXZGOIJDOXJHY-CMKODMSKSA-N 2 2 316.489 3.468 20 30 DGEDLP C=CC[NH+]1CCC([NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000192839330 432421200 /nfs/dbraw/zinc/42/12/00/432421200.db2.gz OQMQZLBEJHXDNA-SFHVURJKSA-N 2 2 315.417 3.212 20 30 DGEDLP C[C@H](c1ccncc1)[N@H+](C)CC#CC[NH+](C)[C@@H](C)c1ccncc1 ZINC000276264312 432789961 /nfs/dbraw/zinc/78/99/61/432789961.db2.gz BOAWRRWZPNIERO-HDICACEKSA-N 2 2 322.456 3.166 20 30 DGEDLP C[C@H](c1ccncc1)[N@@H+](C)CC#CC[NH+](C)[C@@H](C)c1ccncc1 ZINC000276264312 432789967 /nfs/dbraw/zinc/78/99/67/432789967.db2.gz BOAWRRWZPNIERO-HDICACEKSA-N 2 2 322.456 3.166 20 30 DGEDLP C[C@H](c1ccncc1)[NH+](C)CC#CC[N@H+](C)[C@@H](C)c1ccncc1 ZINC000276264312 432789971 /nfs/dbraw/zinc/78/99/71/432789971.db2.gz BOAWRRWZPNIERO-HDICACEKSA-N 2 2 322.456 3.166 20 30 DGEDLP C[C@H](c1ccncc1)[NH+](C)CC#CC[N@@H+](C)[C@@H](C)c1ccncc1 ZINC000276264312 432789974 /nfs/dbraw/zinc/78/99/74/432789974.db2.gz BOAWRRWZPNIERO-HDICACEKSA-N 2 2 322.456 3.166 20 30 DGEDLP C=CC[NH+]1CCC([NH2+][C@@H](COCc2ccccc2)C(C)C)CC1 ZINC000446826761 433108440 /nfs/dbraw/zinc/10/84/40/433108440.db2.gz PXPFKVWWEQTKSW-FQEVSTJZSA-N 2 2 316.489 3.468 20 30 DGEDLP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000280753422 433162626 /nfs/dbraw/zinc/16/26/26/433162626.db2.gz YCHSFMKWSMYOEC-AFYVEPGGSA-N 2 2 314.473 3.220 20 30 DGEDLP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000280753422 433162632 /nfs/dbraw/zinc/16/26/32/433162632.db2.gz YCHSFMKWSMYOEC-AFYVEPGGSA-N 2 2 314.473 3.220 20 30 DGEDLP C=CC[NH+](CC=C)[C@@H](C[NH2+][C@H]1CCC12CCOCC2)C(C)C ZINC000377117862 433846257 /nfs/dbraw/zinc/84/62/57/433846257.db2.gz AYQLFPBCDBHPCP-ROUUACIJSA-N 2 2 306.494 3.234 20 30 DGEDLP C=CCC[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)c1ccco1 ZINC000286119559 434171659 /nfs/dbraw/zinc/17/16/59/434171659.db2.gz NONMDYYDOUBSBE-RCCFBDPRSA-N 2 2 318.461 3.254 20 30 DGEDLP Cn1cc[nH+]c1[C@H]1CCC[N@H+](CC#Cc2cccc(Cl)c2)C1 ZINC000365625901 434304638 /nfs/dbraw/zinc/30/46/38/434304638.db2.gz IOGZEFWEDYDPTD-INIZCTEOSA-N 2 2 313.832 3.305 20 30 DGEDLP Cn1cc[nH+]c1[C@H]1CCC[N@@H+](CC#Cc2cccc(Cl)c2)C1 ZINC000365625901 434304651 /nfs/dbraw/zinc/30/46/51/434304651.db2.gz IOGZEFWEDYDPTD-INIZCTEOSA-N 2 2 313.832 3.305 20 30 DGEDLP CC[C@@H]([NH2+][C@@H]1C[NH2+]C[C@H]1c1ccccc1)c1ccc(C#N)cc1 ZINC000423526681 434477688 /nfs/dbraw/zinc/47/76/88/434477688.db2.gz LITZLPSPAQBVKC-XUVXKRRUSA-N 2 2 305.425 3.355 20 30 DGEDLP C=CC[NH+]1CCC([NH2+][C@H](C)c2cc(OC)c(OC)cc2F)CC1 ZINC000361215311 434831492 /nfs/dbraw/zinc/83/14/92/434831492.db2.gz IRSSUDOAYRQXRV-CYBMUJFWSA-N 2 2 322.424 3.144 20 30 DGEDLP C[C@@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1ccc(C#N)cc1Cl ZINC000555788496 434986326 /nfs/dbraw/zinc/98/63/26/434986326.db2.gz KUONZZYJKUDLAF-DGCLKSJQSA-N 2 2 300.793 3.074 20 30 DGEDLP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]Cc2ccc(C#N)cn2)cc1 ZINC000558235048 435082040 /nfs/dbraw/zinc/08/20/40/435082040.db2.gz GUECGTQVLSVEAY-CQSZACIVSA-N 2 2 317.396 3.298 20 30 DGEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2nc3ccccc3nc2C)CC1 ZINC000638523754 435047053 /nfs/dbraw/zinc/04/70/53/435047053.db2.gz GLNMDLDGCMUEJO-UHFFFAOYSA-N 2 2 310.445 3.068 20 30 DGEDLP C[C@@H]1C[C@H]([NH2+]C[C@H](C#N)CCC#N)CC[N@@H+]1Cc1ccccc1 ZINC000516840472 435553082 /nfs/dbraw/zinc/55/30/82/435553082.db2.gz YJDFIJRFABURLI-NZSAHSFTSA-N 2 2 310.445 3.073 20 30 DGEDLP C[C@@H]1C[C@H]([NH2+]C[C@H](C#N)CCC#N)CC[N@H+]1Cc1ccccc1 ZINC000516840472 435553087 /nfs/dbraw/zinc/55/30/87/435553087.db2.gz YJDFIJRFABURLI-NZSAHSFTSA-N 2 2 310.445 3.073 20 30 DGEDLP N#Cc1ccc(C(=O)Nc2c[nH+]ccc2-n2cc[nH+]c2)cc1Cl ZINC000548304104 435683802 /nfs/dbraw/zinc/68/38/02/435683802.db2.gz DHEAYKILNHADJC-UHFFFAOYSA-N 2 2 323.743 3.045 20 30 DGEDLP C=CCCCC[N@@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000571749804 435734485 /nfs/dbraw/zinc/73/44/85/435734485.db2.gz ZTHBITBWULFHJL-UHFFFAOYSA-N 2 2 301.478 3.377 20 30 DGEDLP C=CCCCC[N@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000571749804 435734491 /nfs/dbraw/zinc/73/44/91/435734491.db2.gz ZTHBITBWULFHJL-UHFFFAOYSA-N 2 2 301.478 3.377 20 30 DGEDLP C=CCOc1ccc(C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000655858174 435849936 /nfs/dbraw/zinc/84/99/36/435849936.db2.gz YNSDINBYELMSSF-OALUTQOASA-N 2 2 300.446 3.358 20 30 DGEDLP C=CCOc1ccc(C[NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)cc1 ZINC000655858174 435849942 /nfs/dbraw/zinc/84/99/42/435849942.db2.gz YNSDINBYELMSSF-OALUTQOASA-N 2 2 300.446 3.358 20 30 DGEDLP Cc1cc(C[NH+]2CCC(Nc3cccc[nH+]3)CC2)ccc1C#N ZINC000583179545 324321798 /nfs/dbraw/zinc/32/17/98/324321798.db2.gz BVPAIMLKHFNZND-UHFFFAOYSA-N 2 2 306.413 3.338 20 30 DGEDLP C=CCCC[C@H](C)[NH2+]C[C@@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000562990765 333020593 /nfs/dbraw/zinc/02/05/93/333020593.db2.gz FRAKIQBOMBQLKB-DLBZAZTESA-N 2 2 315.461 3.348 20 30 DGEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2cc(Cl)cc3c2OCC3)CC1 ZINC000543062460 341030002 /nfs/dbraw/zinc/03/00/02/341030002.db2.gz GZZAZJWORCLMGH-UHFFFAOYSA-N 2 2 320.864 3.405 20 30 DGEDLP C[C@H]([NH2+]CC[N@H+](C)Cc1ccccc1)c1ccc(OCC#N)cc1 ZINC000181556994 533855109 /nfs/dbraw/zinc/85/51/09/533855109.db2.gz FYHVYUUPKZOSCH-KRWDZBQOSA-N 2 2 323.440 3.372 20 30 DGEDLP C[C@H]([NH2+]CC[N@@H+](C)Cc1ccccc1)c1ccc(OCC#N)cc1 ZINC000181556994 533855111 /nfs/dbraw/zinc/85/51/11/533855111.db2.gz FYHVYUUPKZOSCH-KRWDZBQOSA-N 2 2 323.440 3.372 20 30 DGEDLP C=CCOc1ccccc1C[NH2+]C[C@@H]1CCCn2cc(C)[nH+]c21 ZINC000344535800 526948612 /nfs/dbraw/zinc/94/86/12/526948612.db2.gz JCRKIDFCWYKJDL-KRWDZBQOSA-N 2 2 311.429 3.424 20 30 DGEDLP C=CCC(C)(C)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000340427801 527019557 /nfs/dbraw/zinc/01/95/57/527019557.db2.gz SUIFRBZUYBVZJD-FUHWJXTLSA-N 2 2 301.478 3.484 20 30 DGEDLP C=CCC(C)(C)C[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000340427801 527019560 /nfs/dbraw/zinc/01/95/60/527019560.db2.gz SUIFRBZUYBVZJD-FUHWJXTLSA-N 2 2 301.478 3.484 20 30 DGEDLP C=CC[C@@H](CO)C[NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000341870519 527078295 /nfs/dbraw/zinc/07/82/95/527078295.db2.gz CGADQQBESHYBNK-OAHLLOKOSA-N 2 2 322.880 3.079 20 30 DGEDLP C=CCC[N@H+](CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000352442326 527326131 /nfs/dbraw/zinc/32/61/31/527326131.db2.gz OIJXXNNRHQNEFG-UHFFFAOYSA-N 2 2 324.222 3.317 20 30 DGEDLP C=CCC[N@@H+](CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000352442326 527326135 /nfs/dbraw/zinc/32/61/35/527326135.db2.gz OIJXXNNRHQNEFG-UHFFFAOYSA-N 2 2 324.222 3.317 20 30 DGEDLP C=C[C@H]1CCCC[N@@H+]1C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000342121354 527604974 /nfs/dbraw/zinc/60/49/74/527604974.db2.gz DRCKVWZPQVTRIX-VQTJNVASSA-N 2 2 314.473 3.318 20 30 DGEDLP C=C[C@H]1CCCC[N@H+]1C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000342121354 527604986 /nfs/dbraw/zinc/60/49/86/527604986.db2.gz DRCKVWZPQVTRIX-VQTJNVASSA-N 2 2 314.473 3.318 20 30 DGEDLP C=C[C@H]1CCCC[NH+]1C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000342121354 527604990 /nfs/dbraw/zinc/60/49/90/527604990.db2.gz DRCKVWZPQVTRIX-VQTJNVASSA-N 2 2 314.473 3.318 20 30 DGEDLP C=C[C@H]1CCCC[NH+]1C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000342121354 527604993 /nfs/dbraw/zinc/60/49/93/527604993.db2.gz DRCKVWZPQVTRIX-VQTJNVASSA-N 2 2 314.473 3.318 20 30 DGEDLP C=CC[NH+](CC=C)[C@H](C[NH2+][C@H](C)C1CC[NH+](C)CC1)C(C)C ZINC000152073826 545999744 /nfs/dbraw/zinc/99/97/44/545999744.db2.gz RKAOSSXTWYAIAN-IEBWSBKVSA-N 3 2 307.526 3.005 20 30 DGEDLP C[NH+](C)Cc1ccc(C(N)=[NH+]OCc2ccc3c(c2)CCC3)cc1 ZINC000747838913 575545324 /nfs/dbraw/zinc/54/53/24/575545324.db2.gz RGSHYXCVLCTMOH-UHFFFAOYSA-N 2 2 323.440 3.074 20 30 DGEDLP Oc1ccc(/C=[NH+]\C2CCC([NH+]3CCCCC3)CC2)c(O)c1O ZINC000750818036 575753582 /nfs/dbraw/zinc/75/35/82/575753582.db2.gz NAEVFPZFKJPZJZ-UNOMPAQXSA-N 2 2 318.417 3.019 20 30 DGEDLP CCC[NH+]1CCC([NH2+][C@H](CC)c2cccc(C#N)c2O)CC1 ZINC000924578047 618117449 /nfs/dbraw/zinc/11/74/49/618117449.db2.gz NXNCAFXAQAXUPC-QGZVFWFLSA-N 2 2 301.434 3.179 20 30 DGEDLP C=CCC[C@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)[C@@]1(C)CCCCO1 ZINC000902963642 619698136 /nfs/dbraw/zinc/69/81/36/619698136.db2.gz QHZIHPKXFQXUEI-XYJFISCASA-N 2 2 303.450 3.082 20 30 DGEDLP C=CCC[C@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)[C@]1(C)CCCCO1 ZINC000902993721 619700557 /nfs/dbraw/zinc/70/05/57/619700557.db2.gz WTWSCKXMEFIDMR-WBAXXEDZSA-N 2 2 303.450 3.151 20 30 DGEDLP N#CC1(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CCC1 ZINC000903031800 619704707 /nfs/dbraw/zinc/70/47/07/619704707.db2.gz FQUWZYYXVKWNQU-LDLYASANSA-N 2 2 309.457 3.465 20 30 DGEDLP N#CC1(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCC1 ZINC000903031800 619704711 /nfs/dbraw/zinc/70/47/11/619704711.db2.gz FQUWZYYXVKWNQU-LDLYASANSA-N 2 2 309.457 3.465 20 30 DGEDLP C[C@H]([NH2+]C[C@H]1CC[N@@H+]1C1CCCC1)c1ccc(OCC#N)cc1 ZINC000858531279 621202171 /nfs/dbraw/zinc/20/21/71/621202171.db2.gz CIJAAJMQTWRHAV-MAUKXSAKSA-N 2 2 313.445 3.256 20 30 DGEDLP C[C@H]([NH2+]C[C@H]1CC[N@H+]1C1CCCC1)c1ccc(OCC#N)cc1 ZINC000858531279 621202174 /nfs/dbraw/zinc/20/21/74/621202174.db2.gz CIJAAJMQTWRHAV-MAUKXSAKSA-N 2 2 313.445 3.256 20 30 DGEDLP C[NH+](C)c1ccc(N2CCC([NH2+]CC(C)(C)CC#N)CC2)cc1 ZINC000839162814 621348870 /nfs/dbraw/zinc/34/88/70/621348870.db2.gz CCMLVCPQAAVEFI-UHFFFAOYSA-N 2 2 314.477 3.251 20 30 DGEDLP C[C@H](C#N)Oc1ccc(C[NH2+]CCCCNc2cccc[nH+]2)cc1 ZINC000119035637 621608936 /nfs/dbraw/zinc/60/89/36/621608936.db2.gz BTQZODUTPDTBMN-MRXNPFEDSA-N 2 2 324.428 3.354 20 30 DGEDLP C=CC[NH+]1CCC([NH2+][C@H]2C[C@H](C)c3c2c(O)ccc3F)CC1 ZINC000756556405 621648513 /nfs/dbraw/zinc/64/85/13/621648513.db2.gz OKGXBKSSCASUPV-WFASDCNBSA-N 2 2 304.409 3.320 20 30 DGEDLP CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H](C)c1cccc(C#N)c1O ZINC000866212684 622067224 /nfs/dbraw/zinc/06/72/24/622067224.db2.gz UXACFQYWGSBUHM-GJZGRUSLSA-N 2 2 303.450 3.425 20 30 DGEDLP CCCC[NH+]1CCC([NH2+][C@@H](C)c2cccc(C#N)c2O)CC1 ZINC000866248198 622075363 /nfs/dbraw/zinc/07/53/63/622075363.db2.gz ASISJLVUVLAZCW-AWEZNQCLSA-N 2 2 301.434 3.179 20 30 DGEDLP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@H](C)c2cccc(C#N)c2O)C1 ZINC000866308025 622090154 /nfs/dbraw/zinc/09/01/54/622090154.db2.gz OQVXLOGVVGONDA-HZPDHXFCSA-N 2 2 315.461 3.282 20 30 DGEDLP CC(C)[NH+]1CCC(CC[NH2+][C@@H](C)c2cccc(C#N)c2O)CC1 ZINC000866469618 622123296 /nfs/dbraw/zinc/12/32/96/622123296.db2.gz NWFJBSGDKWKDIQ-HNNXBMFYSA-N 2 2 315.461 3.425 20 30 DGEDLP C#CCOc1ccc(C[NH+]2CCC([NH+]3CCCCC3)CC2)cc1 ZINC000768239650 622447188 /nfs/dbraw/zinc/44/71/88/622447188.db2.gz JXVBOKZMFJTYEN-UHFFFAOYSA-N 2 2 312.457 3.149 20 30 DGEDLP C[NH+]1CCN(c2ccc(C=[NH+]Nc3ccccc3F)cc2)CC1 ZINC000771550411 622774790 /nfs/dbraw/zinc/77/47/90/622774790.db2.gz ICNVFUQZLJGVFH-UHFFFAOYSA-N 2 2 312.392 3.024 20 30 DGEDLP C=CC[NH+]1CCC([NH2+][C@H](C)CCOCc2ccccc2)CC1 ZINC000877009533 623765065 /nfs/dbraw/zinc/76/50/65/623765065.db2.gz PUJTWWJPMLVAHS-QGZVFWFLSA-N 2 2 302.462 3.222 20 30 DGEDLP C#C[C@H]([NH2+][C@@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1)[C@H]1CCCO1 ZINC000877415700 623874599 /nfs/dbraw/zinc/87/45/99/623874599.db2.gz DDIWHRDHBHHPLI-GFOJFJKKSA-N 2 2 324.468 3.125 20 30 DGEDLP C#C[C@H]([NH2+][C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1)[C@H]1CCCO1 ZINC000877415700 623874610 /nfs/dbraw/zinc/87/46/10/623874610.db2.gz DDIWHRDHBHHPLI-GFOJFJKKSA-N 2 2 324.468 3.125 20 30 DGEDLP C#CCCOc1ccc(C[NH+]2CCC(CC)([NH+](C)C)CC2)cc1 ZINC000877689920 623994045 /nfs/dbraw/zinc/99/40/45/623994045.db2.gz LLPCKCSNULJLRG-UHFFFAOYSA-N 2 2 314.473 3.395 20 30 DGEDLP CN(c1ccc([NH2+][C@@H]2CC[C@@H](C#N)C2)cc1)C1CC[NH+](C)CC1 ZINC000799721862 626324417 /nfs/dbraw/zinc/32/44/17/626324417.db2.gz YTYPACOPPAQZAZ-NVXWUHKLSA-N 2 2 312.461 3.321 20 30 DGEDLP CC(C)(C)[C@H](Cn1cc[nH+]c1)[NH2+][C@H]1CCc2ccc(C#N)cc21 ZINC000810211800 626988109 /nfs/dbraw/zinc/98/81/09/626988109.db2.gz WHDSMZAIBNCHBZ-ROUUACIJSA-N 2 2 308.429 3.447 20 30 DGEDLP CC[C@H]([NH2+]C[C@@H](C)Cn1cc[nH+]c1C)c1cccc(C#N)c1O ZINC000924949157 627696278 /nfs/dbraw/zinc/69/62/78/627696278.db2.gz FYTZLTRSJVWINO-DYVFJYSZSA-N 2 2 312.417 3.146 20 30 DGEDLP CCC[NH+]1CCC(C[NH2+][C@@H](CC)c2cccc(C#N)c2O)CC1 ZINC000924953354 627696980 /nfs/dbraw/zinc/69/69/80/627696980.db2.gz BKCWACXJLVCHEW-SFHVURJKSA-N 2 2 315.461 3.427 20 30 DGEDLP CC[C@H]([NH2+][C@H]1CCC[C@H]([NH+](C)C)C1)c1cccc(C#N)c1O ZINC000925219095 627720096 /nfs/dbraw/zinc/72/00/96/627720096.db2.gz BOQONAMURTWDGF-ZOBUZTSGSA-N 2 2 301.434 3.177 20 30 DGEDLP N#Cc1ccc(F)c(C[NH2+][C@H]2CC[NH2+][C@H](c3ccccc3)C2)c1 ZINC000925814697 627799256 /nfs/dbraw/zinc/79/92/56/627799256.db2.gz ONRNEHWWDQXZFB-HKUYNNGSSA-N 2 2 309.388 3.280 20 30 DGEDLP CC[C@H]([NH2+]C1CC([NH+]2CCCCC2)C1)c1cccc(C#N)c1O ZINC000926337210 627881665 /nfs/dbraw/zinc/88/16/65/627881665.db2.gz MGXKXUQJHPXLKC-HTWSVDAQSA-N 2 2 313.445 3.321 20 30 DGEDLP C=CCc1cc(C[NH2+][C@@H](C)[C@H]2CCCC[NH2+]2)cc(OC)c1OC ZINC000817909357 627959747 /nfs/dbraw/zinc/95/97/47/627959747.db2.gz OKPHOAZGJGOPEH-WMLDXEAASA-N 2 2 318.461 3.053 20 30 DGEDLP C#CC[N@H+](C)CCC[NH2+]Cc1ccc(-c2ccc(F)cc2C)o1 ZINC000821213441 628346949 /nfs/dbraw/zinc/34/69/49/628346949.db2.gz KTMQIWVGBLMVPW-UHFFFAOYSA-N 2 2 314.404 3.439 20 30 DGEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1ccc(-c2ccc(F)cc2C)o1 ZINC000821213441 628346952 /nfs/dbraw/zinc/34/69/52/628346952.db2.gz KTMQIWVGBLMVPW-UHFFFAOYSA-N 2 2 314.404 3.439 20 30 DGEDLP C[NH+]1CCN(c2ccc([NH2+]C3CCC(C)(C#N)CC3)cc2)CC1 ZINC000823529122 628572943 /nfs/dbraw/zinc/57/29/43/628572943.db2.gz FFFQUEKSVXTSRL-UHFFFAOYSA-N 2 2 312.461 3.323 20 30 DGEDLP C#CCOc1ccccc1C[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000236639375 656038389 /nfs/dbraw/zinc/03/83/89/656038389.db2.gz KZIQNUJZTHHXRR-UHFFFAOYSA-N 2 2 300.446 3.051 20 30 DGEDLP C=C(C)C[NH2+][C@@H]1CCC[C@H](NC(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC000981235948 656655558 /nfs/dbraw/zinc/65/55/58/656655558.db2.gz TYOQGZRTRJFPBS-SJORKVTESA-N 2 2 315.461 3.214 20 30 DGEDLP C=C(C)[C@@H](CO)[NH+]1CCC(c2ccccc2)([NH+]2CCCC2)CC1 ZINC000933548451 661640146 /nfs/dbraw/zinc/64/01/46/661640146.db2.gz UVHXTKAEPUAXLR-LJQANCHMSA-N 2 2 314.473 3.011 20 30 DGEDLP C#CC[N@@H+](C)CCC[NH2+][C@H](C)c1sccc1Br ZINC000392928801 685216495 /nfs/dbraw/zinc/21/64/95/685216495.db2.gz JGSGWCOUSWGFNF-LLVKDONJSA-N 2 2 315.280 3.116 20 30 DGEDLP C#CC[N@H+](C)CCC[NH2+][C@H](C)c1sccc1Br ZINC000392928801 685216499 /nfs/dbraw/zinc/21/64/99/685216499.db2.gz JGSGWCOUSWGFNF-LLVKDONJSA-N 2 2 315.280 3.116 20 30 DGEDLP CC[C@@H]([NH2+]C[C@@H]1CCC[N@H+](CC)C1)c1cccc(C#N)c1O ZINC001354203692 1180743942 /nfs/dbraw/zinc/74/39/42/1180743942.db2.gz DOPJGLNCXFKJEH-WMLDXEAASA-N 2 2 301.434 3.036 20 30 DGEDLP CC[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](CC)C1)c1cccc(C#N)c1O ZINC001354203692 1180743949 /nfs/dbraw/zinc/74/39/49/1180743949.db2.gz DOPJGLNCXFKJEH-WMLDXEAASA-N 2 2 301.434 3.036 20 30 DGEDLP C[C@H](C[NH+](C)C)[C@@H]1CCCC[N@@H+]1Cc1ccc(C#N)c(F)c1 ZINC001462461634 1182955954 /nfs/dbraw/zinc/95/59/54/1182955954.db2.gz PPRLMCXVEHLFKV-KDOFPFPSSA-N 2 2 303.425 3.250 20 30 DGEDLP C[C@H](C[NH+](C)C)[C@@H]1CCCC[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC001462461634 1182955961 /nfs/dbraw/zinc/95/59/61/1182955961.db2.gz PPRLMCXVEHLFKV-KDOFPFPSSA-N 2 2 303.425 3.250 20 30 DGEDLP C#CC[N@H+](C)CCC[NH2+]Cc1cc(Cl)ccc1OCC1CC1 ZINC001474163723 1183876391 /nfs/dbraw/zinc/87/63/91/1183876391.db2.gz CEVZLBCERVZTBC-UHFFFAOYSA-N 2 2 320.864 3.174 20 30 DGEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1cc(Cl)ccc1OCC1CC1 ZINC001474163723 1183876393 /nfs/dbraw/zinc/87/63/93/1183876393.db2.gz CEVZLBCERVZTBC-UHFFFAOYSA-N 2 2 320.864 3.174 20 30 DGEDLP C=CC[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)c1c(C)cc(C)[nH+]c1C ZINC001569162125 1190647571 /nfs/dbraw/zinc/64/75/71/1190647571.db2.gz AAUYDECGRHRIJJ-SJORKVTESA-N 2 2 315.461 3.071 20 30 DGEDLP C=CC[N@H+](Cc1ccc(C[NH+](C)C)c2c1OC(F)(F)O2)C1CC1 ZINC001652146753 1195553197 /nfs/dbraw/zinc/55/31/97/1195553197.db2.gz WQSHGFAEFDIXKL-UHFFFAOYSA-N 2 2 324.371 3.220 20 30 DGEDLP C=CCC[NH2+][C@@H]1CN(C(=O)c2c(C)cc(C)[nH+]c2C)CC1(C)C ZINC001755760978 1201065957 /nfs/dbraw/zinc/06/59/57/1201065957.db2.gz YHZAEGIYNCYMLT-MRXNPFEDSA-N 2 2 315.461 3.023 20 30 DGEDLP C=CCC[C@@H](C)[NH2+]C[C@@H](C)NC(=O)c1c(C)cc(C)[nH+]c1C ZINC001699372331 1201818133 /nfs/dbraw/zinc/81/81/33/1201818133.db2.gz RUJGINJXNFWERH-UKRRQHHQSA-N 2 2 303.450 3.069 20 30 DGEDLP C=CCC[C@H](C)[NH2+][C@H]1C[C@@H](NC(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001752746674 1201904675 /nfs/dbraw/zinc/90/46/75/1201904675.db2.gz VKYUJHDARDPCOE-RRQGHBQHSA-N 2 2 315.461 3.212 20 30 DGEDLP C=CCC[NH2+]C[C@H]1CCCCN1C(=O)c1c(C)cc(C)[nH+]c1C ZINC001752828738 1201955754 /nfs/dbraw/zinc/95/57/54/1201955754.db2.gz VKXILKPAYMLMTA-QGZVFWFLSA-N 2 2 315.461 3.167 20 30 DGEDLP C=C(C)C[N@@H+](CCCNC(=O)c1c(C)cc(C)[nH+]c1C)C(C)C ZINC001714826186 1203140661 /nfs/dbraw/zinc/14/06/61/1203140661.db2.gz YCDAFJLTPHPHEY-UHFFFAOYSA-N 2 2 317.477 3.413 20 30 DGEDLP C=C(C)C[N@H+](CCCNC(=O)c1c(C)cc(C)[nH+]c1C)C(C)C ZINC001714826186 1203140664 /nfs/dbraw/zinc/14/06/64/1203140664.db2.gz YCDAFJLTPHPHEY-UHFFFAOYSA-N 2 2 317.477 3.413 20 30 DGEDLP Cc1[nH+]c(N2CCCC[C@@H]2CC[NH+]2CCCC2)ccc1CC#N ZINC001165048052 721976234 /nfs/dbraw/zinc/97/62/34/721976234.db2.gz IOJISSXIHKXYKG-GOSISDBHSA-N 2 2 312.461 3.301 20 30 DGEDLP C=CCOCCC[NH2+][C@H]1C[C@H](C)C[N@@H+](Cc2ccccc2)C1 ZINC001182919280 1083830174 /nfs/dbraw/zinc/83/01/74/1083830174.db2.gz YTHCMIKGMINMRN-HKUYNNGSSA-N 2 2 302.462 3.079 20 30 DGEDLP C=CCOCCC[NH2+][C@H]1C[C@H](C)C[N@H+](Cc2ccccc2)C1 ZINC001182919280 1083830181 /nfs/dbraw/zinc/83/01/81/1083830181.db2.gz YTHCMIKGMINMRN-HKUYNNGSSA-N 2 2 302.462 3.079 20 30 DGEDLP CC(C)(C)CN(c1cc(CC#N)cc[nH+]1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001161680636 1089342654 /nfs/dbraw/zinc/34/26/54/1089342654.db2.gz VHTNLUCKMJCVCN-WKILWMFISA-N 2 2 300.450 3.270 20 30 DGEDLP O=C1C=C(Nc2ccc3c(c2)[nH+]cn3[C@@H]2CCC[NH2+]CC2)CCC1 ZINC001163454607 1090190880 /nfs/dbraw/zinc/19/08/80/1090190880.db2.gz ZOTMFCSVJOINBX-MRXNPFEDSA-N 2 2 324.428 3.400 20 30 DGEDLP C[C@]1([NH3+])CCC[N@H+](Cc2cc(C#N)ccc2Br)CC1 ZINC001205273746 1091160241 /nfs/dbraw/zinc/16/02/41/1091160241.db2.gz PNXYRNPSWLAKPC-HNNXBMFYSA-N 2 2 322.250 3.024 20 30 DGEDLP C[C@]1([NH3+])CCC[N@@H+](Cc2cc(C#N)ccc2Br)CC1 ZINC001205273746 1091160245 /nfs/dbraw/zinc/16/02/45/1091160245.db2.gz PNXYRNPSWLAKPC-HNNXBMFYSA-N 2 2 322.250 3.024 20 30 DGEDLP C=C(C)COc1ccccc1C[N@@H+]1CCCC[C@@](F)(C[NH3+])C1 ZINC001206343787 1091587486 /nfs/dbraw/zinc/58/74/86/1091587486.db2.gz IJBJNZAUESDNKO-GOSISDBHSA-N 2 2 306.425 3.294 20 30 DGEDLP C=C(C)COc1ccccc1C[N@H+]1CCCC[C@@](F)(C[NH3+])C1 ZINC001206343787 1091587495 /nfs/dbraw/zinc/58/74/95/1091587495.db2.gz IJBJNZAUESDNKO-GOSISDBHSA-N 2 2 306.425 3.294 20 30 DGEDLP C[N@H+](Cc1ccc(C#N)nc1)C1CC[NH+](C2CCCCC2)CC1 ZINC001140546998 1091905282 /nfs/dbraw/zinc/90/52/82/1091905282.db2.gz DFQMBGWKICXDOQ-UHFFFAOYSA-N 2 2 312.461 3.182 20 30 DGEDLP C[N@@H+](Cc1ccc(C#N)nc1)C1CC[NH+](C2CCCCC2)CC1 ZINC001140546998 1091905294 /nfs/dbraw/zinc/90/52/94/1091905294.db2.gz DFQMBGWKICXDOQ-UHFFFAOYSA-N 2 2 312.461 3.182 20 30 DGEDLP C=CCCC[NH2+][C@@H]1CCCN(C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001208649126 1092440392 /nfs/dbraw/zinc/44/03/92/1092440392.db2.gz QLMLISHXLXAOCH-QGZVFWFLSA-N 2 2 315.461 3.167 20 30 DGEDLP C#CCCC[NH+]1CC(c2[nH+]cn3cc(-c4ccoc4)ccc23)C1 ZINC001209266079 1092720405 /nfs/dbraw/zinc/72/04/05/1092720405.db2.gz PLELSSDERHESQG-UHFFFAOYSA-N 2 2 305.381 3.407 20 30 DGEDLP CCCCCCCCCC[C@H](O)C[N@@H+]1CC[C@](F)(C[NH3+])C1 ZINC001246065574 1094986896 /nfs/dbraw/zinc/98/68/96/1094986896.db2.gz WTECGICDVRIBKK-IRXDYDNUSA-N 2 2 302.478 3.251 20 30 DGEDLP CCCCCCCCCC[C@H](O)C[N@H+]1CC[C@](F)(C[NH3+])C1 ZINC001246065574 1094986905 /nfs/dbraw/zinc/98/69/05/1094986905.db2.gz WTECGICDVRIBKK-IRXDYDNUSA-N 2 2 302.478 3.251 20 30 DGEDLP C=CCc1cccc(C[N@@H+]2CCC[C@@]3(CCCC[NH2+]3)C2)c1O ZINC001222389905 1095587536 /nfs/dbraw/zinc/58/75/36/1095587536.db2.gz IMXXWLQIFZAJCO-IBGZPJMESA-N 2 2 300.446 3.229 20 30 DGEDLP C=CCc1cccc(C[N@H+]2CCC[C@@]3(CCCC[NH2+]3)C2)c1O ZINC001222389905 1095587543 /nfs/dbraw/zinc/58/75/43/1095587543.db2.gz IMXXWLQIFZAJCO-IBGZPJMESA-N 2 2 300.446 3.229 20 30 DGEDLP N#CC1(C[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC001172074444 1097037856 /nfs/dbraw/zinc/03/78/56/1097037856.db2.gz VKCNCOYFXNCNGG-LDLYASANSA-N 2 2 309.457 3.465 20 30 DGEDLP N#CC1(C[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001172074444 1097037863 /nfs/dbraw/zinc/03/78/63/1097037863.db2.gz VKCNCOYFXNCNGG-LDLYASANSA-N 2 2 309.457 3.465 20 30 DGEDLP C=CCOC1CCC([N@@H+]2CC[C@H](Oc3cc[nH+]cc3C)C2)CC1 ZINC001173325603 1097418259 /nfs/dbraw/zinc/41/82/59/1097418259.db2.gz NLMJWZUUXZFDMC-ABHNRTSZSA-N 2 2 316.445 3.357 20 30 DGEDLP C=CCOC1CCC([N@H+]2CC[C@H](Oc3cc[nH+]cc3C)C2)CC1 ZINC001173325603 1097418265 /nfs/dbraw/zinc/41/82/65/1097418265.db2.gz NLMJWZUUXZFDMC-ABHNRTSZSA-N 2 2 316.445 3.357 20 30 DGEDLP C[NH+](C)Cc1cc(F)cc(C[N@@H+]2CCc3ccc(C#N)cc3C2)c1 ZINC001232144975 1097950473 /nfs/dbraw/zinc/95/04/73/1097950473.db2.gz QGFYAHLAUYUNPK-UHFFFAOYSA-N 2 2 323.415 3.317 20 30 DGEDLP C[NH+](C)Cc1cc(F)cc(C[N@H+]2CCc3ccc(C#N)cc3C2)c1 ZINC001232144975 1097950478 /nfs/dbraw/zinc/95/04/78/1097950478.db2.gz QGFYAHLAUYUNPK-UHFFFAOYSA-N 2 2 323.415 3.317 20 30 DGEDLP N#Cc1ccc(O)c(C[N@@H+]2CCCC[C@H]2CC[NH+]2CCCC2)c1 ZINC001232679742 1098113157 /nfs/dbraw/zinc/11/31/57/1098113157.db2.gz RIBGEKBVHGAVBT-SFHVURJKSA-N 2 2 313.445 3.104 20 30 DGEDLP N#Cc1ccc(O)c(C[N@H+]2CCCC[C@H]2CC[NH+]2CCCC2)c1 ZINC001232679742 1098113160 /nfs/dbraw/zinc/11/31/60/1098113160.db2.gz RIBGEKBVHGAVBT-SFHVURJKSA-N 2 2 313.445 3.104 20 30 DGEDLP C=CCC[NH2+]CCCCCCNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001179084644 1099013416 /nfs/dbraw/zinc/01/34/16/1099013416.db2.gz GIAXMZDWDISHGC-UHFFFAOYSA-N 2 2 317.477 3.463 20 30 DGEDLP Cn1cc(C[N@H+](C2CCC2)[C@@H]2CCC[NH2+]C2)c2cc(C#N)ccc21 ZINC001237160906 1100008594 /nfs/dbraw/zinc/00/85/94/1100008594.db2.gz LYZGRAQRDRSOGB-GOSISDBHSA-N 2 2 322.456 3.156 20 30 DGEDLP Cn1cc(C[N@@H+](C2CCC2)[C@@H]2CCC[NH2+]C2)c2cc(C#N)ccc21 ZINC001237160906 1100008599 /nfs/dbraw/zinc/00/85/99/1100008599.db2.gz LYZGRAQRDRSOGB-GOSISDBHSA-N 2 2 322.456 3.156 20 30 DGEDLP Cn1cc(C[NH+]2CCC(n3cc[nH+]c3)CC2)c2cc(C#N)ccc21 ZINC001237473776 1100135513 /nfs/dbraw/zinc/13/55/13/1100135513.db2.gz VGRQBDPTHWLYOE-UHFFFAOYSA-N 2 2 319.412 3.084 20 30 DGEDLP N#Cc1cc(-c2ccn3c[nH+]c(C4C[NH2+]C4)c3c2)ccc1Cl ZINC001240401007 1100978047 /nfs/dbraw/zinc/97/80/47/1100978047.db2.gz XSAZMBIGSVVAIQ-UHFFFAOYSA-N 2 2 308.772 3.213 20 30 DGEDLP CCCCCCC[N@H+]1C[C@@H]2C[NH+](Cc3ccccn3)C[C@@H]2C1 ZINC001201762794 1102721377 /nfs/dbraw/zinc/72/13/77/1102721377.db2.gz VOUXTIVUEKRJQQ-HDICACEKSA-N 2 2 301.478 3.416 20 30 DGEDLP CCCCCCC[N@@H+]1C[C@@H]2C[NH+](Cc3ccccn3)C[C@@H]2C1 ZINC001201762794 1102721387 /nfs/dbraw/zinc/72/13/87/1102721387.db2.gz VOUXTIVUEKRJQQ-HDICACEKSA-N 2 2 301.478 3.416 20 30 DGEDLP CCCCCCC[NH+]1C[C@@H]2C[N@@H+](Cc3ccccn3)C[C@@H]2C1 ZINC001201762794 1102721394 /nfs/dbraw/zinc/72/13/94/1102721394.db2.gz VOUXTIVUEKRJQQ-HDICACEKSA-N 2 2 301.478 3.416 20 30 DGEDLP CCCCCCC[NH+]1C[C@@H]2C[N@H+](Cc3ccccn3)C[C@@H]2C1 ZINC001201762794 1102721403 /nfs/dbraw/zinc/72/14/03/1102721403.db2.gz VOUXTIVUEKRJQQ-HDICACEKSA-N 2 2 301.478 3.416 20 30 DGEDLP C=CCCCCC[N@@H+]1CCCC2(CN(CCn3cc[nH+]c3)C2)C1 ZINC001276040423 1105003309 /nfs/dbraw/zinc/00/33/09/1105003309.db2.gz NTTQZNMPSGKJRS-UHFFFAOYSA-N 2 2 316.493 3.027 20 30 DGEDLP C=CCCCCC[N@H+]1CCCC2(CN(CCn3cc[nH+]c3)C2)C1 ZINC001276040423 1105003315 /nfs/dbraw/zinc/00/33/15/1105003315.db2.gz NTTQZNMPSGKJRS-UHFFFAOYSA-N 2 2 316.493 3.027 20 30 DGEDLP C[N@@H+]1CCCC2(CC[NH+](Cc3c(F)cc(C#N)cc3F)CC2)C1 ZINC001276287740 1105077538 /nfs/dbraw/zinc/07/75/38/1105077538.db2.gz PRCHKZXNRGBFGA-UHFFFAOYSA-N 2 2 319.399 3.144 20 30 DGEDLP C[N@H+]1CCCC2(CC[NH+](Cc3c(F)cc(C#N)cc3F)CC2)C1 ZINC001276287740 1105077543 /nfs/dbraw/zinc/07/75/43/1105077543.db2.gz PRCHKZXNRGBFGA-UHFFFAOYSA-N 2 2 319.399 3.144 20 30 DGEDLP CCc1cc(C#N)ccc1C[N@@H+]1CC[C@H](Oc2cc[nH+]cc2C)C1 ZINC001248753149 1105156318 /nfs/dbraw/zinc/15/63/18/1105156318.db2.gz URIDXLCEAJAVPW-IBGZPJMESA-N 2 2 321.424 3.477 20 30 DGEDLP CCc1cc(C#N)ccc1C[N@H+]1CC[C@H](Oc2cc[nH+]cc2C)C1 ZINC001248753149 1105156321 /nfs/dbraw/zinc/15/63/21/1105156321.db2.gz URIDXLCEAJAVPW-IBGZPJMESA-N 2 2 321.424 3.477 20 30 DGEDLP CCCCCCCC[C@H](O)C[NH+]1CCc2[nH]c(C)[nH+]c2CC1 ZINC001252127205 1105745666 /nfs/dbraw/zinc/74/56/66/1105745666.db2.gz YKNHJPIHHCLQHX-INIZCTEOSA-N 2 2 307.482 3.230 20 30 DGEDLP C=CCC[C@@H](O)C[NH+]1CCC([N@H+](C)Cc2ccc(F)cc2)CC1 ZINC001252602564 1105800889 /nfs/dbraw/zinc/80/08/89/1105800889.db2.gz UIANMYWPBSATQC-LJQANCHMSA-N 2 2 320.452 3.049 20 30 DGEDLP C=CCC[C@@H](O)C[NH+]1CCC([N@@H+](C)Cc2ccc(F)cc2)CC1 ZINC001252602564 1105800891 /nfs/dbraw/zinc/80/08/91/1105800891.db2.gz UIANMYWPBSATQC-LJQANCHMSA-N 2 2 320.452 3.049 20 30 DGEDLP C=CCCCCCC[C@@H](O)C[NH+]1CCc2[nH]c(C)[nH+]c2CC1 ZINC001253236836 1105907623 /nfs/dbraw/zinc/90/76/23/1105907623.db2.gz UMLJDFSEWIGMON-MRXNPFEDSA-N 2 2 305.466 3.006 20 30 DGEDLP C=CCCCCCC[C@@H](O)C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC001253240633 1105908674 /nfs/dbraw/zinc/90/86/74/1105908674.db2.gz NXDSKCYUNISEAF-DLBZAZTESA-N 2 2 305.466 3.477 20 30 DGEDLP C=CCCCCCC[C@@H](O)C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC001253240633 1105908679 /nfs/dbraw/zinc/90/86/79/1105908679.db2.gz NXDSKCYUNISEAF-DLBZAZTESA-N 2 2 305.466 3.477 20 30 DGEDLP Cc1cc(F)ccc1C[NH+]1CCC([NH2+][C@@H]2CC[C@@H](C#N)C2)CC1 ZINC001254650660 1106122569 /nfs/dbraw/zinc/12/25/69/1106122569.db2.gz XBFNURONDXAGBC-DNVCBOLYSA-N 2 2 315.436 3.380 20 30 DGEDLP C[N@H+](Cc1cccc(F)c1)C1CC[NH+]([C@H]2CC[C@@H](C#N)C2)CC1 ZINC001254673961 1106130840 /nfs/dbraw/zinc/13/08/40/1106130840.db2.gz RTOVANSREVLDPP-BEFAXECRSA-N 2 2 315.436 3.414 20 30 DGEDLP C[N@@H+](Cc1cccc(F)c1)C1CC[NH+]([C@H]2CC[C@@H](C#N)C2)CC1 ZINC001254673961 1106130843 /nfs/dbraw/zinc/13/08/43/1106130843.db2.gz RTOVANSREVLDPP-BEFAXECRSA-N 2 2 315.436 3.414 20 30 DGEDLP C[NH+]1CCC([N@H+](Cc2ccc(F)cc2)[C@H]2CC[C@@H](C#N)C2)CC1 ZINC001254677181 1106131719 /nfs/dbraw/zinc/13/17/19/1106131719.db2.gz QRLCLAAMWZPHKZ-APWZRJJASA-N 2 2 315.436 3.414 20 30 DGEDLP C[NH+]1CCC([N@@H+](Cc2ccc(F)cc2)[C@H]2CC[C@@H](C#N)C2)CC1 ZINC001254677181 1106131722 /nfs/dbraw/zinc/13/17/22/1106131722.db2.gz QRLCLAAMWZPHKZ-APWZRJJASA-N 2 2 315.436 3.414 20 30 DGEDLP N#Cc1ccc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)o1 ZINC001255132092 1106186532 /nfs/dbraw/zinc/18/65/32/1106186532.db2.gz RHXRWAVEANGAEF-NNZMDNLPSA-N 2 2 321.424 3.436 20 30 DGEDLP N#Cc1ccc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)o1 ZINC001255132092 1106186534 /nfs/dbraw/zinc/18/65/34/1106186534.db2.gz RHXRWAVEANGAEF-NNZMDNLPSA-N 2 2 321.424 3.436 20 30 DGEDLP CC[C@@H](CC#N)[NH+]1CCN(c2cc(C)[nH+]c3ccccc32)CC1 ZINC001255166794 1106197290 /nfs/dbraw/zinc/19/72/90/1106197290.db2.gz QKMRUWVUDSHWIY-INIZCTEOSA-N 2 2 308.429 3.358 20 30 DGEDLP C=CCC[C@@H](C)[NH+]1CCn2c(C[N@@H+](C)C(C)C)cnc2[C@@H]1C ZINC001258728416 1106935293 /nfs/dbraw/zinc/93/52/93/1106935293.db2.gz OTFAKRFWFHWGJE-CVEARBPZSA-N 2 2 304.482 3.455 20 30 DGEDLP C=CCC[C@@H](C)[NH+]1CCn2c(C[N@H+](C)C(C)C)cnc2[C@@H]1C ZINC001258728416 1106935301 /nfs/dbraw/zinc/93/53/01/1106935301.db2.gz OTFAKRFWFHWGJE-CVEARBPZSA-N 2 2 304.482 3.455 20 30 DGEDLP C=CCC[C@@H](C)[N@H+]1CCn2c(C[NH+](C)C(C)C)cnc2[C@@H]1C ZINC001258728416 1106935311 /nfs/dbraw/zinc/93/53/11/1106935311.db2.gz OTFAKRFWFHWGJE-CVEARBPZSA-N 2 2 304.482 3.455 20 30 DGEDLP C=CCC[C@@H](C)[N@@H+]1CCn2c(C[NH+](C)C(C)C)cnc2[C@@H]1C ZINC001258728416 1106935321 /nfs/dbraw/zinc/93/53/21/1106935321.db2.gz OTFAKRFWFHWGJE-CVEARBPZSA-N 2 2 304.482 3.455 20 30 DGEDLP Cc1cc([NH2+][C@H]2CCC[C@H](C#N)C2)ccc1N1CC[NH+](C)CC1 ZINC001320864410 1107166240 /nfs/dbraw/zinc/16/62/40/1107166240.db2.gz HCYWBHAKSBYZBD-IRXDYDNUSA-N 2 2 312.461 3.241 20 30 DGEDLP C=C(C)C[NH2+]C[C@H]1CCCCN1C(=O)c1c(C)cc(C)[nH+]c1C ZINC001265678222 1108962342 /nfs/dbraw/zinc/96/23/42/1108962342.db2.gz WEGOVQZLTYYKQW-QGZVFWFLSA-N 2 2 315.461 3.167 20 30 DGEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2cccc3c2OC(F)(F)O3)CC1 ZINC001308247286 1111404596 /nfs/dbraw/zinc/40/45/96/1111404596.db2.gz OPUQAKPTCJXWAS-UHFFFAOYSA-N 2 2 324.371 3.138 20 30 DGEDLP Cc1cccnc1C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000181720271 199343977 /nfs/dbraw/zinc/34/39/77/199343977.db2.gz MFPQBEFQWPQDNX-UHFFFAOYSA-N 2 2 320.440 3.016 20 30 DGEDLP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(C#N)o2)CC[N@@H+]1Cc1ccccc1 ZINC000080338462 192150891 /nfs/dbraw/zinc/15/08/91/192150891.db2.gz OUAPDWXUOBGQLG-WBVHZDCISA-N 2 2 309.413 3.294 20 30 DGEDLP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(C#N)o2)CC[N@H+]1Cc1ccccc1 ZINC000080338462 192150892 /nfs/dbraw/zinc/15/08/92/192150892.db2.gz OUAPDWXUOBGQLG-WBVHZDCISA-N 2 2 309.413 3.294 20 30 DGEDLP Clc1ccc(C#CC[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc1 ZINC000177267022 198696790 /nfs/dbraw/zinc/69/67/90/198696790.db2.gz RWFKHKPBQXOCCT-QGZVFWFLSA-N 2 2 302.849 3.109 20 30 DGEDLP Clc1ccc(C#CC[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc1 ZINC000177267022 198696791 /nfs/dbraw/zinc/69/67/91/198696791.db2.gz RWFKHKPBQXOCCT-QGZVFWFLSA-N 2 2 302.849 3.109 20 30 DGEDLP N#Cc1ccccc1CSCC[NH2+]Cc1cccc2[nH+]ccn21 ZINC000179415629 432057435 /nfs/dbraw/zinc/05/74/35/432057435.db2.gz FEIFEFCSZJWKDB-UHFFFAOYSA-N 2 2 322.437 3.229 20 30 DGEDLP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1ccc(Cl)cc1C#N ZINC000187309493 200092621 /nfs/dbraw/zinc/09/26/21/200092621.db2.gz JKEJPZUTKLXDPD-UHFFFAOYSA-N 2 2 302.809 3.239 20 30 DGEDLP Cc1[nH+]ccn1CCC[N@H+](C)Cc1ccc(Cl)cc1C#N ZINC000187309493 200092624 /nfs/dbraw/zinc/09/26/24/200092624.db2.gz JKEJPZUTKLXDPD-UHFFFAOYSA-N 2 2 302.809 3.239 20 30 DGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@@H]3CCCSC3)CC2)cc1 ZINC000271905242 209312767 /nfs/dbraw/zinc/31/27/67/209312767.db2.gz WNJRKYWCFCEGQH-GOSISDBHSA-N 2 2 315.486 3.008 20 30 DGEDLP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+]Cc1ccc(C#N)cc1 ZINC000246266880 432113758 /nfs/dbraw/zinc/11/37/58/432113758.db2.gz ROSXRZYBYAGFMO-OXJNMPFZSA-N 2 2 305.425 3.168 20 30 DGEDLP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+]Cc1ccc(C#N)cc1 ZINC000246266880 432113760 /nfs/dbraw/zinc/11/37/60/432113760.db2.gz ROSXRZYBYAGFMO-OXJNMPFZSA-N 2 2 305.425 3.168 20 30 DGEDLP CC[N@@H+](Cc1ccc(C#N)o1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000093818760 193312661 /nfs/dbraw/zinc/31/26/61/193312661.db2.gz VVMOWMMARVBNRG-SFHVURJKSA-N 2 2 323.440 3.495 20 30 DGEDLP CC[N@H+](Cc1ccc(C#N)o1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000093818760 193312663 /nfs/dbraw/zinc/31/26/63/193312663.db2.gz VVMOWMMARVBNRG-SFHVURJKSA-N 2 2 323.440 3.495 20 30 DGEDLP CC[NH+](Cc1ccc(C#N)o1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000093818760 193312665 /nfs/dbraw/zinc/31/26/65/193312665.db2.gz VVMOWMMARVBNRG-SFHVURJKSA-N 2 2 323.440 3.495 20 30 DGEDLP CC[NH+](Cc1ccc(C#N)o1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000093818760 193312667 /nfs/dbraw/zinc/31/26/67/193312667.db2.gz VVMOWMMARVBNRG-SFHVURJKSA-N 2 2 323.440 3.495 20 30 DGEDLP C=C[C@@H]1CCCC[N@H+]1C[C@@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000489490823 245315283 /nfs/dbraw/zinc/31/52/83/245315283.db2.gz OHAIDBWUKCYZFK-IAGOWNOFSA-N 2 2 313.445 3.055 20 30 DGEDLP C=C[C@@H]1CCCC[N@@H+]1C[C@@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000489490823 245315290 /nfs/dbraw/zinc/31/52/90/245315290.db2.gz OHAIDBWUKCYZFK-IAGOWNOFSA-N 2 2 313.445 3.055 20 30 DGEDLP N#CCC[C@H](C#N)C[NH+]1CCC(Cc2[nH]c3ccccc3[nH+]2)CC1 ZINC000595550480 400184959 /nfs/dbraw/zinc/18/49/59/400184959.db2.gz BDZRZJHOFWAPKE-MRXNPFEDSA-N 2 2 321.428 3.261 20 30 DGEDLP C[N@H+](Cc1cccc(C#N)n1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000602467720 400469534 /nfs/dbraw/zinc/46/95/34/400469534.db2.gz YSOMHLIZVOGTPR-UHFFFAOYSA-N 2 2 320.440 3.050 20 30 DGEDLP C[N@@H+](Cc1cccc(C#N)n1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000602467720 400469540 /nfs/dbraw/zinc/46/95/40/400469540.db2.gz YSOMHLIZVOGTPR-UHFFFAOYSA-N 2 2 320.440 3.050 20 30 DGEDLP C[C@@H](CCC#N)C[NH2+]CC1([N@@H+]2CCOC(C)(C)C2)CCCCC1 ZINC000602546076 400493155 /nfs/dbraw/zinc/49/31/55/400493155.db2.gz CCPVTOQFNWURDN-KRWDZBQOSA-N 2 2 321.509 3.330 20 30 DGEDLP C[C@@H](CCC#N)C[NH2+]CC1([N@H+]2CCOC(C)(C)C2)CCCCC1 ZINC000602546076 400493158 /nfs/dbraw/zinc/49/31/58/400493158.db2.gz CCPVTOQFNWURDN-KRWDZBQOSA-N 2 2 321.509 3.330 20 30 DGEDLP C[NH+]1CCC([N@H+](Cc2ccccc2)Cc2cccc(C#N)n2)CC1 ZINC000602667495 400531462 /nfs/dbraw/zinc/53/14/62/400531462.db2.gz PQVBTUCEOUTWSS-UHFFFAOYSA-N 2 2 320.440 3.050 20 30 DGEDLP C[NH+]1CCC([N@@H+](Cc2ccccc2)Cc2cccc(C#N)n2)CC1 ZINC000602667495 400531467 /nfs/dbraw/zinc/53/14/67/400531467.db2.gz PQVBTUCEOUTWSS-UHFFFAOYSA-N 2 2 320.440 3.050 20 30 DGEDLP COc1cc(C[NH+]2CCC(C)([NH+]3CCCC3)CC2)ccc1C#N ZINC000602733308 400556820 /nfs/dbraw/zinc/55/68/20/400556820.db2.gz BCSUMFFUUDJMEO-UHFFFAOYSA-N 2 2 313.445 3.017 20 30 DGEDLP C[C@H]([NH2+]C(C)(C)C[NH2+]C[C@H](O)CC(C)(C)C#N)c1ccccc1 ZINC000598719422 400864497 /nfs/dbraw/zinc/86/44/97/400864497.db2.gz IAXYMKRTCJBBQP-DOTOQJQBSA-N 2 2 317.477 3.006 20 30 DGEDLP C[C@@H]([NH2+]C1CC[NH+](Cc2cccc(C#N)c2)CC1)c1ccoc1 ZINC000593721158 400899049 /nfs/dbraw/zinc/89/90/49/400899049.db2.gz KGSRWGXADZTZRH-OAHLLOKOSA-N 2 2 309.413 3.466 20 30 DGEDLP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)c1ccccc1Br ZINC000385617130 685174456 /nfs/dbraw/zinc/17/44/56/685174456.db2.gz PESVHZAOBWMDSH-ZDUSSCGKSA-N 2 2 309.251 3.055 20 30 DGEDLP C#CC[N@H+](C)CCC[NH2+][C@@H](C)c1ccccc1Br ZINC000385617130 685174458 /nfs/dbraw/zinc/17/44/58/685174458.db2.gz PESVHZAOBWMDSH-ZDUSSCGKSA-N 2 2 309.251 3.055 20 30 DGEDLP Cc1cc(C)c(NC(=O)NC2CC[NH+](CC(C)C)CC2)c(C)[nH+]1 ZINC000331249326 229025877 /nfs/dbraw/zinc/02/58/77/229025877.db2.gz XPISKDWTSYTINF-UHFFFAOYSA-N 2 2 318.465 3.453 20 30 DGEDLP Clc1cccc(C#CC[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000151219754 432230366 /nfs/dbraw/zinc/23/03/66/432230366.db2.gz DCCARFCNCRWVTQ-KRWDZBQOSA-N 2 2 302.849 3.109 20 30 DGEDLP Clc1cccc(C#CC[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000151219754 432230372 /nfs/dbraw/zinc/23/03/72/432230372.db2.gz DCCARFCNCRWVTQ-KRWDZBQOSA-N 2 2 302.849 3.109 20 30 DGEDLP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+]Cc2ccc(C#N)cc2)C1 ZINC000356923086 267002845 /nfs/dbraw/zinc/00/28/45/267002845.db2.gz QYWBGGAYGBMDEZ-JXFKEZNVSA-N 2 2 305.425 3.483 20 30 DGEDLP C[C@@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+]Cc2ccc(C#N)cc2)C1 ZINC000356923086 267002846 /nfs/dbraw/zinc/00/28/46/267002846.db2.gz QYWBGGAYGBMDEZ-JXFKEZNVSA-N 2 2 305.425 3.483 20 30 DGEDLP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+]Cc1ccc(C#N)cc1 ZINC000151554094 432255379 /nfs/dbraw/zinc/25/53/79/432255379.db2.gz ROSXRZYBYAGFMO-JXFKEZNVSA-N 2 2 305.425 3.168 20 30 DGEDLP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+]Cc1ccc(C#N)cc1 ZINC000151554094 432255383 /nfs/dbraw/zinc/25/53/83/432255383.db2.gz ROSXRZYBYAGFMO-JXFKEZNVSA-N 2 2 305.425 3.168 20 30 DGEDLP C=CCC[C@H](O)C[NH+]1CCC(n2c(C)[nH+]c3ccccc32)CC1 ZINC000280309824 273484278 /nfs/dbraw/zinc/48/42/78/273484278.db2.gz WSQITMCAEMDHTP-KRWDZBQOSA-N 2 2 313.445 3.309 20 30 DGEDLP C=CCOc1ccc(C[NH2+]C2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000078969023 431713105 /nfs/dbraw/zinc/71/31/05/431713105.db2.gz UNNZLSMWXACGRQ-UHFFFAOYSA-N 2 2 323.440 3.405 20 30 DGEDLP C[C@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)c1ccc(C#N)cc1 ZINC000121364081 431776611 /nfs/dbraw/zinc/77/66/11/431776611.db2.gz XUXDMBUORBLDRN-HNNXBMFYSA-N 2 2 306.413 3.273 20 30 DGEDLP C=CCOc1ccccc1C[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000124340196 431890799 /nfs/dbraw/zinc/89/07/99/431890799.db2.gz YKEGCDYZFVYFOE-UHFFFAOYSA-N 2 2 323.440 3.405 20 30 DGEDLP Cc1[nH+]c2ccccc2n1CCC[NH2+]Cc1cccc(C#N)c1 ZINC000053096512 431960364 /nfs/dbraw/zinc/96/03/64/431960364.db2.gz OGIURTYXZBDPQE-UHFFFAOYSA-N 2 2 304.397 3.396 20 30 DGEDLP C#CC[C@@H]([NH2+]C1CC[NH+](Cc2ccccn2)CC1)c1ccccc1 ZINC000271478276 432404356 /nfs/dbraw/zinc/40/43/56/432404356.db2.gz JHEIVESOYFADLB-OAQYLSRUSA-N 2 2 319.452 3.400 20 30 DGEDLP C=CC[NH+]1CCC([NH2+]Cc2cnc(-c3ccco3)s2)CC1 ZINC000193092849 432448654 /nfs/dbraw/zinc/44/86/54/432448654.db2.gz LUMFCZPRHBFLNJ-UHFFFAOYSA-N 2 2 303.431 3.143 20 30 DGEDLP C[NH+](C)[C@H](CNC(=[NH2+])Nc1cc(F)ccc1F)c1cccs1 ZINC000262307581 432482081 /nfs/dbraw/zinc/48/20/81/432482081.db2.gz RTUQRJCNWNMGMS-CYBMUJFWSA-N 2 2 324.400 3.056 20 30 DGEDLP CCC[N@H+](C)C[C@H]1CC[NH+](CC#Cc2cccc(Cl)c2)C1 ZINC000154265314 432486241 /nfs/dbraw/zinc/48/62/41/432486241.db2.gz GNDASBLJWWBHLV-QGZVFWFLSA-N 2 2 304.865 3.355 20 30 DGEDLP CCC[N@@H+](C)C[C@H]1CC[NH+](CC#Cc2cccc(Cl)c2)C1 ZINC000154265314 432486245 /nfs/dbraw/zinc/48/62/45/432486245.db2.gz GNDASBLJWWBHLV-QGZVFWFLSA-N 2 2 304.865 3.355 20 30 DGEDLP CCC[NH+](C)C[C@H]1CC[N@H+](CC#Cc2cccc(Cl)c2)C1 ZINC000154265314 432486248 /nfs/dbraw/zinc/48/62/48/432486248.db2.gz GNDASBLJWWBHLV-QGZVFWFLSA-N 2 2 304.865 3.355 20 30 DGEDLP CCC[NH+](C)C[C@H]1CC[N@@H+](CC#Cc2cccc(Cl)c2)C1 ZINC000154265314 432486251 /nfs/dbraw/zinc/48/62/51/432486251.db2.gz GNDASBLJWWBHLV-QGZVFWFLSA-N 2 2 304.865 3.355 20 30 DGEDLP N#Cc1ccc(C[NH2+]CCc2[nH+]ccn2Cc2ccccc2)s1 ZINC000176945993 432568818 /nfs/dbraw/zinc/56/88/18/432568818.db2.gz SXAISRCSLIVSLA-UHFFFAOYSA-N 2 2 322.437 3.197 20 30 DGEDLP Cc1ccc(NC(=[NH2+])NCCCCNc2cccc[nH+]2)cc1C ZINC000264317493 432635312 /nfs/dbraw/zinc/63/53/12/432635312.db2.gz WPBSMERMPFINSR-UHFFFAOYSA-N 2 2 311.433 3.317 20 30 DGEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CCCc3nc(CC)sc32)CC1 ZINC000177908904 432670776 /nfs/dbraw/zinc/67/07/76/432670776.db2.gz BWLGZFQMYOMATC-CQSZACIVSA-N 2 2 305.491 3.323 20 30 DGEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CCCc3cc(OC)ccc32)CC1 ZINC000177912272 432673417 /nfs/dbraw/zinc/67/34/17/432673417.db2.gz YIAHUEFCAGYHSO-LJQANCHMSA-N 2 2 300.446 3.313 20 30 DGEDLP C=CC[NH+]1CCC([NH2+][C@H](C)c2ccc(OC)cc2OC)CC1 ZINC000177911829 432673741 /nfs/dbraw/zinc/67/37/41/432673741.db2.gz JEIVGQXNYYLYOE-CQSZACIVSA-N 2 2 304.434 3.005 20 30 DGEDLP C(#CC[N@@H+]1CCC[C@H]1c1ccc[nH]1)C[NH+]1CCC[C@H]1c1ccc[nH]1 ZINC000276364839 432801214 /nfs/dbraw/zinc/80/12/14/432801214.db2.gz ZSERYZCGDGWQRH-PMACEKPBSA-N 2 2 322.456 3.320 20 30 DGEDLP C(#CC[N@H+]1CCC[C@H]1c1ccc[nH]1)C[NH+]1CCC[C@H]1c1ccc[nH]1 ZINC000276364839 432801218 /nfs/dbraw/zinc/80/12/18/432801218.db2.gz ZSERYZCGDGWQRH-PMACEKPBSA-N 2 2 322.456 3.320 20 30 DGEDLP C[C@@H]1CCCC[C@@H]1NC(=O)C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000329967013 432885244 /nfs/dbraw/zinc/88/52/44/432885244.db2.gz VWJDUXWSNONSAC-KFWWJZLASA-N 2 2 304.438 3.124 20 30 DGEDLP C[C@@H]1CCCC[C@@H]1NC(=O)C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000329967013 432885246 /nfs/dbraw/zinc/88/52/46/432885246.db2.gz VWJDUXWSNONSAC-KFWWJZLASA-N 2 2 304.438 3.124 20 30 DGEDLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@@H]1CC[C@H](C#N)C1 ZINC000278535422 432896629 /nfs/dbraw/zinc/89/66/29/432896629.db2.gz FOBABAQWKFEWED-ZWKOTPCHSA-N 2 2 312.461 3.312 20 30 DGEDLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@@H]1CC[C@H](C#N)C1 ZINC000278535422 432896631 /nfs/dbraw/zinc/89/66/31/432896631.db2.gz FOBABAQWKFEWED-ZWKOTPCHSA-N 2 2 312.461 3.312 20 30 DGEDLP C[C@H](C#N)Oc1ccc(C[N@@H+]2CCC[C@@H](c3[nH+]ccn3C)C2)cc1 ZINC000373230962 433138831 /nfs/dbraw/zinc/13/88/31/433138831.db2.gz OIVPAAGSKSUYNN-NVXWUHKLSA-N 2 2 324.428 3.091 20 30 DGEDLP C[C@H](C#N)Oc1ccc(C[N@H+]2CCC[C@@H](c3[nH+]ccn3C)C2)cc1 ZINC000373230962 433138838 /nfs/dbraw/zinc/13/88/38/433138838.db2.gz OIVPAAGSKSUYNN-NVXWUHKLSA-N 2 2 324.428 3.091 20 30 DGEDLP C=C(C)[C@@H]1OCC[C@H]1C[NH2+]Cc1c[nH+]c(C)n1-c1ccccc1 ZINC000280642524 433118190 /nfs/dbraw/zinc/11/81/90/433118190.db2.gz NIGRPEQXZDDADV-LPHOPBHVSA-N 2 2 311.429 3.252 20 30 DGEDLP C#CCOc1ccc([C@H](C)[NH2+]Cc2c[nH+]c3n2CCCC3)cc1 ZINC000375315977 433426658 /nfs/dbraw/zinc/42/66/58/433426658.db2.gz CNKXYXYDGBQZBA-HNNXBMFYSA-N 2 2 309.413 3.082 20 30 DGEDLP CC(C)c1nc(N(CC[NH+](C)C)Cc2ccc(C#N)cc2)cc[nH+]1 ZINC000161924859 292844016 /nfs/dbraw/zinc/84/40/16/292844016.db2.gz CLEYENBKMGBTIO-UHFFFAOYSA-N 2 2 323.444 3.040 20 30 DGEDLP C=CCC[C@@H](CO)[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000449700989 433763478 /nfs/dbraw/zinc/76/34/78/433763478.db2.gz VDXOHIHIMUYMJO-SFHVURJKSA-N 2 2 322.880 3.221 20 30 DGEDLP CC[C@H]([NH2+]C[C@H]1[NH2+]CCc2ccccc21)c1ccc(C#N)cc1 ZINC000423431361 434418482 /nfs/dbraw/zinc/41/84/82/434418482.db2.gz QLUGGBXFLDCUTO-VQTJNVASSA-N 2 2 305.425 3.486 20 30 DGEDLP C[NH+](CCC[N@@H+](C)Cc1ccco1)Cc1cc(C#N)cs1 ZINC000348814820 434505771 /nfs/dbraw/zinc/50/57/71/434505771.db2.gz IINZWFXSNINIPR-UHFFFAOYSA-N 2 2 303.431 3.167 20 30 DGEDLP C[NH+](CCC[N@H+](C)Cc1ccco1)Cc1cc(C#N)cs1 ZINC000348814820 434505778 /nfs/dbraw/zinc/50/57/78/434505778.db2.gz IINZWFXSNINIPR-UHFFFAOYSA-N 2 2 303.431 3.167 20 30 DGEDLP C[NH+](CCC[N@H+](C)Cc1cc(C#N)cs1)Cc1ccco1 ZINC000348814820 434505785 /nfs/dbraw/zinc/50/57/85/434505785.db2.gz IINZWFXSNINIPR-UHFFFAOYSA-N 2 2 303.431 3.167 20 30 DGEDLP C[NH+](CCC[N@@H+](C)Cc1cc(C#N)cs1)Cc1ccco1 ZINC000348814820 434505795 /nfs/dbraw/zinc/50/57/95/434505795.db2.gz IINZWFXSNINIPR-UHFFFAOYSA-N 2 2 303.431 3.167 20 30 DGEDLP N#CC1(C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)CCC1 ZINC000451050330 434546584 /nfs/dbraw/zinc/54/65/84/434546584.db2.gz QLMZLOJNUTYPQB-RTBURBONSA-N 2 2 309.457 3.134 20 30 DGEDLP N#CC1(C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)CCC1 ZINC000451050330 434546592 /nfs/dbraw/zinc/54/65/92/434546592.db2.gz QLMZLOJNUTYPQB-RTBURBONSA-N 2 2 309.457 3.134 20 30 DGEDLP N#CC1(C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)CCC1 ZINC000451050330 434546598 /nfs/dbraw/zinc/54/65/98/434546598.db2.gz QLMZLOJNUTYPQB-RTBURBONSA-N 2 2 309.457 3.134 20 30 DGEDLP N#CC1(C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)CCC1 ZINC000451050330 434546603 /nfs/dbraw/zinc/54/66/03/434546603.db2.gz QLMZLOJNUTYPQB-RTBURBONSA-N 2 2 309.457 3.134 20 30 DGEDLP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(C#N)cc2Cl)C1 ZINC000439440206 434602786 /nfs/dbraw/zinc/60/27/86/434602786.db2.gz NSOFDBOOXLNPTH-HNNXBMFYSA-N 2 2 305.853 3.375 20 30 DGEDLP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(C#N)cc2Cl)C1 ZINC000439440206 434602793 /nfs/dbraw/zinc/60/27/93/434602793.db2.gz NSOFDBOOXLNPTH-HNNXBMFYSA-N 2 2 305.853 3.375 20 30 DGEDLP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2Cl)C1 ZINC000439440206 434602796 /nfs/dbraw/zinc/60/27/96/434602796.db2.gz NSOFDBOOXLNPTH-HNNXBMFYSA-N 2 2 305.853 3.375 20 30 DGEDLP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2Cl)C1 ZINC000439440206 434602803 /nfs/dbraw/zinc/60/28/03/434602803.db2.gz NSOFDBOOXLNPTH-HNNXBMFYSA-N 2 2 305.853 3.375 20 30 DGEDLP C=CCC[C@H](Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1)C1CC1 ZINC000540759427 435616290 /nfs/dbraw/zinc/61/62/90/435616290.db2.gz VUYZOFVIIHFEJI-MSOLQXFVSA-N 2 2 314.477 3.379 20 30 DGEDLP C=CCC[C@H](Nc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1)C1CC1 ZINC000540759430 435616782 /nfs/dbraw/zinc/61/67/82/435616782.db2.gz VUYZOFVIIHFEJI-ROUUACIJSA-N 2 2 314.477 3.379 20 30 DGEDLP C=CCOc1ccc(C[N@@H+]2CC[C@@H]([NH3+])[C@H](CC)C2)cc1Cl ZINC000647499125 436068825 /nfs/dbraw/zinc/06/88/25/436068825.db2.gz ZZPDFWPKABDWCS-GDBMZVCRSA-N 2 2 308.853 3.464 20 30 DGEDLP C=CCOc1ccc(C[N@H+]2CC[C@@H]([NH3+])[C@H](CC)C2)cc1Cl ZINC000647499125 436068832 /nfs/dbraw/zinc/06/88/32/436068832.db2.gz ZZPDFWPKABDWCS-GDBMZVCRSA-N 2 2 308.853 3.464 20 30 DGEDLP C[C@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1ccc(C#N)cc1Cl ZINC000555788497 314736004 /nfs/dbraw/zinc/73/60/04/314736004.db2.gz KUONZZYJKUDLAF-WCQYABFASA-N 2 2 300.793 3.074 20 30 DGEDLP CN(CCC#N)c1ccc(C[NH+]2CCC(n3cc[nH+]c3)CC2)cc1 ZINC000092648803 332129383 /nfs/dbraw/zinc/12/93/83/332129383.db2.gz NXBVNINZMQXANY-UHFFFAOYSA-N 2 2 323.444 3.070 20 30 DGEDLP C=CCC[C@@H](C)[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000390625786 333307898 /nfs/dbraw/zinc/30/78/98/333307898.db2.gz HYVICVPKILSPOR-IEBWSBKVSA-N 2 2 302.462 3.222 20 30 DGEDLP C=CCC[C@@H](C)[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000390625786 333307899 /nfs/dbraw/zinc/30/78/99/333307899.db2.gz HYVICVPKILSPOR-IEBWSBKVSA-N 2 2 302.462 3.222 20 30 DGEDLP C=C(C)C[N@H+](CCc1cc[nH+]cc1C)Cc1ccc(CO)o1 ZINC000584408054 337319554 /nfs/dbraw/zinc/31/95/54/337319554.db2.gz UCPWPLCMRNNIGW-UHFFFAOYSA-N 2 2 300.402 3.096 20 30 DGEDLP C=C(C)C[N@@H+](CCc1cc[nH+]cc1C)Cc1ccc(CO)o1 ZINC000584408054 337319555 /nfs/dbraw/zinc/31/95/55/337319555.db2.gz UCPWPLCMRNNIGW-UHFFFAOYSA-N 2 2 300.402 3.096 20 30 DGEDLP C=CC[NH+]1CCC([NH2+][C@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)CC1 ZINC000340231046 526453860 /nfs/dbraw/zinc/45/38/60/526453860.db2.gz MPAXTFAEMYQOTC-VQTJNVASSA-N 3 2 313.489 3.062 20 30 DGEDLP C=CC[NH+]1CCC([NH2+][C@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)CC1 ZINC000340231046 526453863 /nfs/dbraw/zinc/45/38/63/526453863.db2.gz MPAXTFAEMYQOTC-VQTJNVASSA-N 3 2 313.489 3.062 20 30 DGEDLP C=CC[NH+]1CCC([NH2+][C@H](C[C@H]2CCOC2)c2ccccc2)CC1 ZINC000339066140 526455121 /nfs/dbraw/zinc/45/51/21/526455121.db2.gz CIJDGKPYNIMIQO-YLJYHZDGSA-N 2 2 314.473 3.394 20 30 DGEDLP C=C(C)C[N@H+](CC)C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000429724452 526546443 /nfs/dbraw/zinc/54/64/43/526546443.db2.gz MLIJWJYVGTUHMR-IBGZPJMESA-N 2 2 302.462 3.176 20 30 DGEDLP C=C(C)C[N@@H+](CC)C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000429724452 526546449 /nfs/dbraw/zinc/54/64/49/526546449.db2.gz MLIJWJYVGTUHMR-IBGZPJMESA-N 2 2 302.462 3.176 20 30 DGEDLP C=C(C)C[NH+](CC)C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000429724452 526546454 /nfs/dbraw/zinc/54/64/54/526546454.db2.gz MLIJWJYVGTUHMR-IBGZPJMESA-N 2 2 302.462 3.176 20 30 DGEDLP C=C(C)C[NH+](CC)C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000429724452 526546457 /nfs/dbraw/zinc/54/64/57/526546457.db2.gz MLIJWJYVGTUHMR-IBGZPJMESA-N 2 2 302.462 3.176 20 30 DGEDLP CC[NH+]1CCN(c2ccc([NH2+][C@H]3CC[C@@H](C#N)C3)c(C)c2)CC1 ZINC000442872847 527707892 /nfs/dbraw/zinc/70/78/92/527707892.db2.gz OAIPUIKUBWSEHY-SJORKVTESA-N 2 2 312.461 3.241 20 30 DGEDLP CCc1cccc(NC(=[NH2+])NC[C@@H](c2cccs2)[NH+](C)C)c1 ZINC000264104308 529176437 /nfs/dbraw/zinc/17/64/37/529176437.db2.gz NISCDZBCGZEQEG-HNNXBMFYSA-N 2 2 316.474 3.340 20 30 DGEDLP C[NH+](C)Cc1ccc(C(N)=[NH+]OCc2ccc(Cl)s2)cc1 ZINC000747838748 575545478 /nfs/dbraw/zinc/54/54/78/575545478.db2.gz JBLKMDZDVQDJTQ-UHFFFAOYSA-N 2 2 323.849 3.300 20 30 DGEDLP C[NH+](C)Cc1ccc(C(N)=[NH+]OC/C=C\c2ccccc2)cc1 ZINC000747838750 575545774 /nfs/dbraw/zinc/54/57/74/575545774.db2.gz JBRZNFSDULYVAF-TWGQIWQCSA-N 2 2 309.413 3.099 20 30 DGEDLP CC(C)CO[NH+]=Cc1c(Cl)cccc1N1CC[NH+](C)CC1 ZINC000749627195 575669988 /nfs/dbraw/zinc/66/99/88/575669988.db2.gz YSDPKIKDPVFATL-UHFFFAOYSA-N 2 2 309.841 3.098 20 30 DGEDLP N#Cc1cc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)cs1 ZINC000892235069 617991984 /nfs/dbraw/zinc/99/19/84/617991984.db2.gz KLZMITPAXLHBAW-PBHICJAKSA-N 2 2 301.459 3.068 20 30 DGEDLP N#Cc1cc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)cs1 ZINC000892235069 617991987 /nfs/dbraw/zinc/99/19/87/617991987.db2.gz KLZMITPAXLHBAW-PBHICJAKSA-N 2 2 301.459 3.068 20 30 DGEDLP N#Cc1cc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cs1 ZINC000892235069 617991991 /nfs/dbraw/zinc/99/19/91/617991991.db2.gz KLZMITPAXLHBAW-PBHICJAKSA-N 2 2 301.459 3.068 20 30 DGEDLP N#Cc1cc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)cs1 ZINC000892235069 617991995 /nfs/dbraw/zinc/99/19/95/617991995.db2.gz KLZMITPAXLHBAW-PBHICJAKSA-N 2 2 301.459 3.068 20 30 DGEDLP C[C@H](CCC#N)C[NH2+]c1ccc(N2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000895646725 618809942 /nfs/dbraw/zinc/80/99/42/618809942.db2.gz IUJSBBVTPFNAPP-APWZRJJASA-N 2 2 312.461 3.323 20 30 DGEDLP C[C@H](CCC#N)C[NH2+]c1ccc(N2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000895646725 618809946 /nfs/dbraw/zinc/80/99/46/618809946.db2.gz IUJSBBVTPFNAPP-APWZRJJASA-N 2 2 312.461 3.323 20 30 DGEDLP CC[C@H]([NH2+]C[C@@H](C)C[NH+]1CCCC1)c1cccc(C#N)c1O ZINC000924716884 619264728 /nfs/dbraw/zinc/26/47/28/619264728.db2.gz ROYNOCTUDHGCNR-PBHICJAKSA-N 2 2 301.434 3.036 20 30 DGEDLP C=CC[NH+](CC=C)[C@@H](C[NH2+][C@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21)C(C)C ZINC000902742853 619668854 /nfs/dbraw/zinc/66/88/54/619668854.db2.gz ZILLCYJEROCVCR-GFLQDLJJSA-N 2 2 318.505 3.088 20 30 DGEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CCC[C@@H](C3CCOCC3)C2)CC1 ZINC000902795123 619677574 /nfs/dbraw/zinc/67/75/74/619677574.db2.gz ALMHZGPCGPBRHS-IEBWSBKVSA-N 2 2 306.494 3.212 20 30 DGEDLP C=C(C)C[NH+]1CCC([NH2+][C@H](C)c2cnn(CC3CCC3)c2)CC1 ZINC000903091952 619718766 /nfs/dbraw/zinc/71/87/66/619718766.db2.gz DMNLWERTNYUDSN-MRXNPFEDSA-N 2 2 316.493 3.374 20 30 DGEDLP N#Cc1cc(Cl)cc(C[N@@H+]2CCCC[C@]3(CC[NH2+]C3)C2)c1 ZINC000903481398 619780810 /nfs/dbraw/zinc/78/08/10/619780810.db2.gz AQYJJQYLJMZZGV-QGZVFWFLSA-N 2 2 303.837 3.177 20 30 DGEDLP N#Cc1cc(Cl)cc(C[N@H+]2CCCC[C@]3(CC[NH2+]C3)C2)c1 ZINC000903481398 619780812 /nfs/dbraw/zinc/78/08/12/619780812.db2.gz AQYJJQYLJMZZGV-QGZVFWFLSA-N 2 2 303.837 3.177 20 30 DGEDLP C=CCCC[C@@H]([NH3+])c1nc(-c2cccc(Cn3cc[nH+]c3)c2)no1 ZINC000904559414 619932435 /nfs/dbraw/zinc/93/24/35/619932435.db2.gz YCFISUXCZCTBDL-MRXNPFEDSA-N 2 2 323.400 3.338 20 30 DGEDLP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H](C)c2cccc(C#N)c2O)C1 ZINC000866259548 622077787 /nfs/dbraw/zinc/07/77/87/622077787.db2.gz CIURZOLSWIOAIW-LSDHHAIUSA-N 2 2 301.434 3.035 20 30 DGEDLP C[C@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)c1cccc(C#N)c1O ZINC000866289602 622086069 /nfs/dbraw/zinc/08/60/69/622086069.db2.gz ILHGMELXZUNWTG-ZDUSSCGKSA-N 2 2 301.434 3.177 20 30 DGEDLP CN(C)c1cc[nH+]cc1C=[NH+]Nc1ccccc1Br ZINC000776184951 623391937 /nfs/dbraw/zinc/39/19/37/623391937.db2.gz BSQFEEDXTXTXHO-UHFFFAOYSA-N 2 2 319.206 3.356 20 30 DGEDLP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+]Cc3ccc(C#N)cn3)CC2)C1 ZINC000783299437 624335919 /nfs/dbraw/zinc/33/59/19/624335919.db2.gz CDAWFMVPQUICOP-DNVCBOLYSA-N 2 2 312.461 3.086 20 30 DGEDLP C[C@H]1C[C@@H]([NH2+]Cc2ccc(C#N)cn2)CC[N@@H+]1Cc1ccccc1 ZINC000783300984 624336582 /nfs/dbraw/zinc/33/65/82/624336582.db2.gz RVCSDNYFOKQNMY-LPHOPBHVSA-N 2 2 320.440 3.096 20 30 DGEDLP C[C@H]1C[C@@H]([NH2+]Cc2ccc(C#N)cn2)CC[N@H+]1Cc1ccccc1 ZINC000783300984 624336584 /nfs/dbraw/zinc/33/65/84/624336584.db2.gz RVCSDNYFOKQNMY-LPHOPBHVSA-N 2 2 320.440 3.096 20 30 DGEDLP C=CCC[C@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)[C@@H]1Cc2ccccc2O1 ZINC000883218008 626612531 /nfs/dbraw/zinc/61/25/31/626612531.db2.gz SFCKDCFABFRHBO-LNLFQRSKSA-N 2 2 323.440 3.126 20 30 DGEDLP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)c1cc2cccc(OCC)c2o1 ZINC000815652683 627695689 /nfs/dbraw/zinc/69/56/89/627695689.db2.gz NBHKMNSPYRWZIE-HNNXBMFYSA-N 2 2 314.429 3.437 20 30 DGEDLP C#CC[N@H+](C)CCC[NH2+][C@@H](C)c1cc2cccc(OCC)c2o1 ZINC000815652683 627695692 /nfs/dbraw/zinc/69/56/92/627695692.db2.gz NBHKMNSPYRWZIE-HNNXBMFYSA-N 2 2 314.429 3.437 20 30 DGEDLP CC[C@@H]([NH2+]C1CC([NH+]2CCCCC2)C1)c1cccc(C#N)c1O ZINC000926337212 627881307 /nfs/dbraw/zinc/88/13/07/627881307.db2.gz MGXKXUQJHPXLKC-LEOMRAHMSA-N 2 2 313.445 3.321 20 30 DGEDLP C[C@H]([NH2+]C1CCC(C)([NH+]2CCC2)CC1)c1cccc(C#N)c1O ZINC000927036158 628000845 /nfs/dbraw/zinc/00/08/45/628000845.db2.gz FFJOZIRJYSHRJI-ASFAAARLSA-N 2 2 313.445 3.321 20 30 DGEDLP C#Cc1cccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)c1 ZINC000834903757 629803770 /nfs/dbraw/zinc/80/37/70/629803770.db2.gz RCRPJGOEAIBTTL-DYESRHJHSA-N 2 2 319.452 3.063 20 30 DGEDLP C#Cc1cccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)c1 ZINC000834903757 629803771 /nfs/dbraw/zinc/80/37/71/629803771.db2.gz RCRPJGOEAIBTTL-DYESRHJHSA-N 2 2 319.452 3.063 20 30 DGEDLP C[NH+](C)[C@@H](CNC(=[NH2+])Nc1ccc2c(c1)CCC2)c1ccccc1 ZINC000303720887 657557741 /nfs/dbraw/zinc/55/77/41/657557741.db2.gz WXXFEDUQAQDAEL-IBGZPJMESA-N 2 2 322.456 3.205 20 30 DGEDLP Cc1ccc(NC(=[NH2+])NCC[N@@H+](C)Cc2ccccc2)cc1C ZINC000303863838 657568464 /nfs/dbraw/zinc/56/84/64/657568464.db2.gz AOVYCMURFWPIPS-UHFFFAOYSA-N 2 2 310.445 3.162 20 30 DGEDLP Cc1ccc(NC(=[NH2+])NCC[N@H+](C)Cc2ccccc2)cc1C ZINC000303863838 657568468 /nfs/dbraw/zinc/56/84/68/657568468.db2.gz AOVYCMURFWPIPS-UHFFFAOYSA-N 2 2 310.445 3.162 20 30 DGEDLP C=C(C)[C@H](CO)[NH+]1CCC(c2ccccc2)([NH+]2CCCC2)CC1 ZINC000933548449 661640154 /nfs/dbraw/zinc/64/01/54/661640154.db2.gz UVHXTKAEPUAXLR-IBGZPJMESA-N 2 2 314.473 3.011 20 30 DGEDLP Fc1ccc(C#CC[NH2+][C@@H](Cn2cc[nH+]c2)c2ccccc2)cc1 ZINC001473748476 1183796507 /nfs/dbraw/zinc/79/65/07/1183796507.db2.gz ZEEOWESTIZAGLM-FQEVSTJZSA-N 2 2 319.383 3.405 20 30 DGEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1cc(Cl)c(OC)cc1Cl ZINC001474164714 1183875722 /nfs/dbraw/zinc/87/57/22/1183875722.db2.gz QCBFVWQISAATQY-UHFFFAOYSA-N 2 2 315.244 3.047 20 30 DGEDLP C#CC[N@H+](C)CCC[NH2+]Cc1cc(Cl)c(OC)cc1Cl ZINC001474164714 1183875733 /nfs/dbraw/zinc/87/57/33/1183875733.db2.gz QCBFVWQISAATQY-UHFFFAOYSA-N 2 2 315.244 3.047 20 30 DGEDLP CC1CC[NH+](CC[C@@H]2CCC[N@@H+]2Cc2cncc(C#N)c2)CC1 ZINC001560069631 1189274658 /nfs/dbraw/zinc/27/46/58/1189274658.db2.gz XLSSZVHFKSFACD-IBGZPJMESA-N 2 2 312.461 3.040 20 30 DGEDLP CC1CC[NH+](CC[C@@H]2CCC[N@H+]2Cc2cncc(C#N)c2)CC1 ZINC001560069631 1189274660 /nfs/dbraw/zinc/27/46/60/1189274660.db2.gz XLSSZVHFKSFACD-IBGZPJMESA-N 2 2 312.461 3.040 20 30 DGEDLP N#Cc1ccc(C[NH2+][C@@H](Cn2cc[nH+]c2)c2ccccc2)cc1F ZINC001560098407 1189278210 /nfs/dbraw/zinc/27/82/10/1189278210.db2.gz HMXWWCRUIBJELG-IBGZPJMESA-N 2 2 320.371 3.425 20 30 DGEDLP C=CCCCC[C@@H](C)[NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC001621349605 1193831937 /nfs/dbraw/zinc/83/19/37/1193831937.db2.gz MIJOEAWESWHNMA-YLJYHZDGSA-N 2 2 316.489 3.130 20 30 DGEDLP C=CCCCC[C@@H](C)[NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC001621349605 1193831941 /nfs/dbraw/zinc/83/19/41/1193831941.db2.gz MIJOEAWESWHNMA-YLJYHZDGSA-N 2 2 316.489 3.130 20 30 DGEDLP CC1CC[NH+](CC[C@H]2CCC[N@@H+]2Cc2cc(C#N)ccn2)CC1 ZINC001654515567 1195812538 /nfs/dbraw/zinc/81/25/38/1195812538.db2.gz RJCXYMNFSGCHGV-LJQANCHMSA-N 2 2 312.461 3.040 20 30 DGEDLP CC1CC[NH+](CC[C@H]2CCC[N@H+]2Cc2cc(C#N)ccn2)CC1 ZINC001654515567 1195812542 /nfs/dbraw/zinc/81/25/42/1195812542.db2.gz RJCXYMNFSGCHGV-LJQANCHMSA-N 2 2 312.461 3.040 20 30 DGEDLP C=C(C)C[NH2+]C[C@@H]1CC[C@@H](NC(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001700901796 1202367741 /nfs/dbraw/zinc/36/77/41/1202367741.db2.gz QUJRJGLBWMOCDA-IAGOWNOFSA-N 2 2 315.461 3.071 20 30 DGEDLP C=CCC[C@@H](C)[NH2+][C@@H](C)CCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001713411058 1202646910 /nfs/dbraw/zinc/64/69/10/1202646910.db2.gz UHGLHDMVADEUPF-KGLIPLIRSA-N 2 2 314.433 3.016 20 30 DGEDLP C=CCCC[N@@H+](CCNC(=O)c1c(C)cc(C)[nH+]c1C)C1CC1 ZINC001713559200 1202670370 /nfs/dbraw/zinc/67/03/70/1202670370.db2.gz JVDLUOCEUVDXJJ-UHFFFAOYSA-N 2 2 315.461 3.167 20 30 DGEDLP C=CCCC[N@H+](CCNC(=O)c1c(C)cc(C)[nH+]c1C)C1CC1 ZINC001713559200 1202670371 /nfs/dbraw/zinc/67/03/71/1202670371.db2.gz JVDLUOCEUVDXJJ-UHFFFAOYSA-N 2 2 315.461 3.167 20 30 DGEDLP C[N@@H+]1CCC[C@@H]2C[NH+](C3CCC(C#N)(c4ccccc4)CC3)C[C@H]21 ZINC001170398443 1082360898 /nfs/dbraw/zinc/36/08/98/1082360898.db2.gz PYKDZFCRAJATOY-MAKTXDPSSA-N 2 2 323.484 3.417 20 30 DGEDLP C[N@H+]1CCC[C@@H]2C[NH+](C3CCC(C#N)(c4ccccc4)CC3)C[C@H]21 ZINC001170398443 1082360901 /nfs/dbraw/zinc/36/09/01/1082360901.db2.gz PYKDZFCRAJATOY-MAKTXDPSSA-N 2 2 323.484 3.417 20 30 DGEDLP C[NH+]1CCC[C@@H]2C[N@@H+](C3CCC(C#N)(c4ccccc4)CC3)C[C@H]21 ZINC001170398443 1082360904 /nfs/dbraw/zinc/36/09/04/1082360904.db2.gz PYKDZFCRAJATOY-MAKTXDPSSA-N 2 2 323.484 3.417 20 30 DGEDLP C[NH+]1CCC[C@@H]2C[N@H+](C3CCC(C#N)(c4ccccc4)CC3)C[C@H]21 ZINC001170398443 1082360906 /nfs/dbraw/zinc/36/09/06/1082360906.db2.gz PYKDZFCRAJATOY-MAKTXDPSSA-N 2 2 323.484 3.417 20 30 DGEDLP CCCCCCC[NH2+]CCNC(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001130006373 1082518976 /nfs/dbraw/zinc/51/89/76/1082518976.db2.gz FFCZHMZPKNQINQ-KRWDZBQOSA-N 2 2 322.497 3.147 20 30 DGEDLP C[C@]1([NH3+])CCC[N@H+](Cc2ccc(C#N)c(Br)c2)CC1 ZINC001205289101 1084094239 /nfs/dbraw/zinc/09/42/39/1084094239.db2.gz SPMRUMHMLNVVII-HNNXBMFYSA-N 2 2 322.250 3.024 20 30 DGEDLP C[C@]1([NH3+])CCC[N@@H+](Cc2ccc(C#N)c(Br)c2)CC1 ZINC001205289101 1084094248 /nfs/dbraw/zinc/09/42/48/1084094248.db2.gz SPMRUMHMLNVVII-HNNXBMFYSA-N 2 2 322.250 3.024 20 30 DGEDLP C[NH+]1C(C)(C)CC(Nc2[nH+]ccc3[nH]cc(C#N)c32)CC1(C)C ZINC001159396522 1088334659 /nfs/dbraw/zinc/33/46/59/1088334659.db2.gz ZJTYVEIXQZYBAA-UHFFFAOYSA-N 2 2 311.433 3.498 20 30 DGEDLP N#Cc1csc(C[NH2+][C@@H](Cn2cc[nH+]c2)c2ccccc2)c1 ZINC001203472520 1090740207 /nfs/dbraw/zinc/74/02/07/1090740207.db2.gz VVYJMNZSIDCMLE-KRWDZBQOSA-N 2 2 308.410 3.347 20 30 DGEDLP N#Cc1ccc(C[N@@H+]2C[C@H]3C[C@H](C[NH+](Cc4ccco4)C3)C2)cc1 ZINC001203901398 1090833109 /nfs/dbraw/zinc/83/31/09/1090833109.db2.gz MMWMQALMTLKKTL-KDURUIRLSA-N 2 2 321.424 3.105 20 30 DGEDLP N#Cc1ccc(C[N@H+]2C[C@H]3C[C@H](C[NH+](Cc4ccco4)C3)C2)cc1 ZINC001203901398 1090833116 /nfs/dbraw/zinc/83/31/16/1090833116.db2.gz MMWMQALMTLKKTL-KDURUIRLSA-N 2 2 321.424 3.105 20 30 DGEDLP N#Cc1ccc(C[NH+]2C[C@H]3C[C@@H](C2)C[N@H+](Cc2ccco2)C3)cc1 ZINC001203901398 1090833120 /nfs/dbraw/zinc/83/31/20/1090833120.db2.gz MMWMQALMTLKKTL-KDURUIRLSA-N 2 2 321.424 3.105 20 30 DGEDLP N#Cc1ccc(C[NH+]2C[C@H]3C[C@@H](C2)C[N@@H+](Cc2ccco2)C3)cc1 ZINC001203901398 1090833126 /nfs/dbraw/zinc/83/31/26/1090833126.db2.gz MMWMQALMTLKKTL-KDURUIRLSA-N 2 2 321.424 3.105 20 30 DGEDLP C=CCn1cc(C[N@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)cn1 ZINC001139772713 1091669147 /nfs/dbraw/zinc/66/91/47/1091669147.db2.gz PSOAWQPWDPUMNG-LJQANCHMSA-N 2 2 324.472 3.023 20 30 DGEDLP C=CCn1cc(C[N@@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)cn1 ZINC001139772713 1091669150 /nfs/dbraw/zinc/66/91/50/1091669150.db2.gz PSOAWQPWDPUMNG-LJQANCHMSA-N 2 2 324.472 3.023 20 30 DGEDLP C=CCn1cc(C[NH+](C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)cn1 ZINC001139772713 1091669154 /nfs/dbraw/zinc/66/91/54/1091669154.db2.gz PSOAWQPWDPUMNG-LJQANCHMSA-N 2 2 324.472 3.023 20 30 DGEDLP C=CCn1cc(C[NH+](C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC001139772713 1091669158 /nfs/dbraw/zinc/66/91/58/1091669158.db2.gz PSOAWQPWDPUMNG-LJQANCHMSA-N 2 2 324.472 3.023 20 30 DGEDLP C=CCCC[NH2+][C@H]1CCCN(C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001208649124 1092440300 /nfs/dbraw/zinc/44/03/00/1092440300.db2.gz QLMLISHXLXAOCH-KRWDZBQOSA-N 2 2 315.461 3.167 20 30 DGEDLP C=CCCCC[N@@H+]1CC[C@@H]2[C@H](CC[NH+]2Cc2nccs2)C1 ZINC001209204151 1092695187 /nfs/dbraw/zinc/69/51/87/1092695187.db2.gz ZXWHBQHLAGVKLA-HZPDHXFCSA-N 2 2 305.491 3.396 20 30 DGEDLP C=CCCCC[N@H+]1CC[C@@H]2[C@H](CC[NH+]2Cc2nccs2)C1 ZINC001209204151 1092695193 /nfs/dbraw/zinc/69/51/93/1092695193.db2.gz ZXWHBQHLAGVKLA-HZPDHXFCSA-N 2 2 305.491 3.396 20 30 DGEDLP C=CCCCC[NH+]1CC[C@@H]2[C@H](CC[N@@H+]2Cc2nccs2)C1 ZINC001209204151 1092695196 /nfs/dbraw/zinc/69/51/96/1092695196.db2.gz ZXWHBQHLAGVKLA-HZPDHXFCSA-N 2 2 305.491 3.396 20 30 DGEDLP C=CCCCC[NH+]1CC[C@@H]2[C@H](CC[N@H+]2Cc2nccs2)C1 ZINC001209204151 1092695206 /nfs/dbraw/zinc/69/52/06/1092695206.db2.gz ZXWHBQHLAGVKLA-HZPDHXFCSA-N 2 2 305.491 3.396 20 30 DGEDLP C=CCCCCCC[NH+]1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC001209435799 1092772585 /nfs/dbraw/zinc/77/25/85/1092772585.db2.gz JRFBJHAUZQTVSI-UHFFFAOYSA-N 2 2 302.466 3.352 20 30 DGEDLP C=C(C)CC[NH2+][C@@H](C)C[C@H](C)NC(=O)c1c(C)cc(C)[nH+]c1C ZINC001135042953 1094373406 /nfs/dbraw/zinc/37/34/06/1094373406.db2.gz DZSFXQLPVNUHOE-HOCLYGCPSA-N 2 2 317.477 3.460 20 30 DGEDLP C=C(Cl)C[NH2+][C@H](C)C[C@H](C)NC(=O)c1c(C)cc(C)[nH+]c1C ZINC001135037069 1094376326 /nfs/dbraw/zinc/37/63/26/1094376326.db2.gz FJPCSIBCKJRIBQ-OCCSQVGLSA-N 2 2 323.868 3.246 20 30 DGEDLP C=CCC[NH2+][C@@H](C)C[C@H](C)NC(=O)c1c(C)cc(C)[nH+]c1C ZINC001135044183 1094377460 /nfs/dbraw/zinc/37/74/60/1094377460.db2.gz PZSCUNWLQCQJSS-ZFWWWQNUSA-N 2 2 303.450 3.069 20 30 DGEDLP C[N@H+](Cc1ccc(C#N)cn1)C1CC[NH+](C2CCCCC2)CC1 ZINC001144169607 1095548623 /nfs/dbraw/zinc/54/86/23/1095548623.db2.gz OEXSADMFMGRGJW-UHFFFAOYSA-N 2 2 312.461 3.182 20 30 DGEDLP C[N@@H+](Cc1ccc(C#N)cn1)C1CC[NH+](C2CCCCC2)CC1 ZINC001144169607 1095548629 /nfs/dbraw/zinc/54/86/29/1095548629.db2.gz OEXSADMFMGRGJW-UHFFFAOYSA-N 2 2 312.461 3.182 20 30 DGEDLP C[C@H](Cc1ccc(C#N)cc1)[NH2+]CC1C[NH+](Cc2ccccc2)C1 ZINC001172294331 1097107863 /nfs/dbraw/zinc/10/78/63/1097107863.db2.gz IDXBAQLNMQFHAT-QGZVFWFLSA-N 2 2 319.452 3.211 20 30 DGEDLP C[C@@H](Cc1ccc(C#N)cc1)[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC001172298672 1097108919 /nfs/dbraw/zinc/10/89/19/1097108919.db2.gz CQQICLLFGAKZQA-INIZCTEOSA-N 2 2 320.440 3.143 20 30 DGEDLP C=CCOC1CCC([NH+]2CCC(Oc3cc[nH+]cc3)CC2)CC1 ZINC001173321554 1097416195 /nfs/dbraw/zinc/41/61/95/1097416195.db2.gz LYSUJOTXUDVUGC-UHFFFAOYSA-N 2 2 316.445 3.439 20 30 DGEDLP Cc1c[nH+]c2n1CCC21CC[NH+](Cc2ccc(C)cc2C#N)CC1 ZINC001232965304 1098185869 /nfs/dbraw/zinc/18/58/69/1098185869.db2.gz UVSULHSYXJJLCV-UHFFFAOYSA-N 2 2 320.440 3.309 20 30 DGEDLP C(#Cc1ccccc1C[NH+]1CCC2(CC[NH2+]2)CC1)c1ccccc1 ZINC001235111305 1098813965 /nfs/dbraw/zinc/81/39/65/1098813965.db2.gz ROAHHMVJCUCAHK-UHFFFAOYSA-N 2 2 316.448 3.414 20 30 DGEDLP [NH3+][C@]12CC[C@@H]1C[N@H+](Cc1ccccc1C#Cc1ccccc1)C2 ZINC001235989729 1099313425 /nfs/dbraw/zinc/31/34/25/1099313425.db2.gz JRZIBPPMYDENIR-RTWAWAEBSA-N 2 2 302.421 3.010 20 30 DGEDLP [NH3+][C@]12CC[C@@H]1C[N@@H+](Cc1ccccc1C#Cc1ccccc1)C2 ZINC001235989729 1099313435 /nfs/dbraw/zinc/31/34/35/1099313435.db2.gz JRZIBPPMYDENIR-RTWAWAEBSA-N 2 2 302.421 3.010 20 30 DGEDLP CCCCCCC[NH2+]CCCCCCNC(=O)Cn1cc[nH+]c1 ZINC001180469768 1099431348 /nfs/dbraw/zinc/43/13/48/1099431348.db2.gz FIMDJNQIEMQGDZ-UHFFFAOYSA-N 2 2 322.497 3.120 20 30 DGEDLP N#Cc1ccc(C[N@H+]([C@@H]2CC[NH2+]C2)C2CCCCC2)cc1F ZINC001236650726 1099720692 /nfs/dbraw/zinc/72/06/92/1099720692.db2.gz DPSOYGFZXBHQIW-QGZVFWFLSA-N 2 2 301.409 3.194 20 30 DGEDLP N#Cc1ccc(C[N@@H+]([C@@H]2CC[NH2+]C2)C2CCCCC2)cc1F ZINC001236650726 1099720698 /nfs/dbraw/zinc/72/06/98/1099720698.db2.gz DPSOYGFZXBHQIW-QGZVFWFLSA-N 2 2 301.409 3.194 20 30 DGEDLP C[N@H+](Cc1ccnc(C#N)c1)C1CC[NH+](C2CCCCC2)CC1 ZINC001237462378 1100132177 /nfs/dbraw/zinc/13/21/77/1100132177.db2.gz HNWKORRDIXWZEP-UHFFFAOYSA-N 2 2 312.461 3.182 20 30 DGEDLP C[N@@H+](Cc1ccnc(C#N)c1)C1CC[NH+](C2CCCCC2)CC1 ZINC001237462378 1100132182 /nfs/dbraw/zinc/13/21/82/1100132182.db2.gz HNWKORRDIXWZEP-UHFFFAOYSA-N 2 2 312.461 3.182 20 30 DGEDLP N#Cc1cc(-c2ccc(-n3cc[nH+]c3)cc2)cc(C2C[NH2+]C2)c1 ZINC001240345512 1100950862 /nfs/dbraw/zinc/95/08/62/1100950862.db2.gz KHDQVTMWEISNOR-UHFFFAOYSA-N 2 2 300.365 3.098 20 30 DGEDLP N#CC1(c2cccc(-c3ccccc3C[N@H+]3CC[C@H]([NH3+])C3)c2)CC1 ZINC001244077224 1103194229 /nfs/dbraw/zinc/19/42/29/1103194229.db2.gz XROSWXRUWSVZFM-IBGZPJMESA-N 2 2 317.436 3.442 20 30 DGEDLP N#CC1(c2cccc(-c3ccccc3C[N@@H+]3CC[C@H]([NH3+])C3)c2)CC1 ZINC001244077224 1103194243 /nfs/dbraw/zinc/19/42/43/1103194243.db2.gz XROSWXRUWSVZFM-IBGZPJMESA-N 2 2 317.436 3.442 20 30 DGEDLP CCCCCCCC[N@@H+]1CC[C@H]2CN(CCn3cc[nH+]c3)C[C@H]21 ZINC001275131611 1104642221 /nfs/dbraw/zinc/64/22/21/1104642221.db2.gz VRESPKFMPZIIEP-RBUKOAKNSA-N 2 2 318.509 3.250 20 30 DGEDLP CCCCCCCC[N@H+]1CC[C@H]2CN(CCn3cc[nH+]c3)C[C@H]21 ZINC001275131611 1104642225 /nfs/dbraw/zinc/64/22/25/1104642225.db2.gz VRESPKFMPZIIEP-RBUKOAKNSA-N 2 2 318.509 3.250 20 30 DGEDLP N#CC1(c2ccc(F)cc2)CCC([NH2+]CCn2cc[nH+]c2)CC1 ZINC001254341152 1106055951 /nfs/dbraw/zinc/05/59/51/1106055951.db2.gz DHGDVGWACGZGKT-UHFFFAOYSA-N 2 2 312.392 3.016 20 30 DGEDLP N#C[C@H]1CC[C@@H]([NH+]2CCC([NH3+])(c3ccccc3Cl)CC2)C1 ZINC001254646993 1106121740 /nfs/dbraw/zinc/12/17/40/1106121740.db2.gz DRNJYPRHWVBDSJ-UONOGXRCSA-N 2 2 303.837 3.282 20 30 DGEDLP N#CC1(c2ccccc2)CC([NH2+]C[C@@H]2CCCC[N@@H+]2C2CC2)C1 ZINC001256042404 1106360610 /nfs/dbraw/zinc/36/06/10/1106360610.db2.gz LATLOGGDRIOJAA-SYYJFZTOSA-N 2 2 309.457 3.217 20 30 DGEDLP N#CC1(c2ccccc2)CC([NH2+]C[C@@H]2CCCC[N@H+]2C2CC2)C1 ZINC001256042404 1106360612 /nfs/dbraw/zinc/36/06/12/1106360612.db2.gz LATLOGGDRIOJAA-SYYJFZTOSA-N 2 2 309.457 3.217 20 30 DGEDLP N#CC1CCC([NH+]2CCC([NH3+])(c3ccccc3F)CC2)CC1 ZINC001256960176 1106515893 /nfs/dbraw/zinc/51/58/93/1106515893.db2.gz KBSZGPIJTRJVOY-UHFFFAOYSA-N 2 2 301.409 3.158 20 30 DGEDLP CC(C)[NH+]1CCC([NH+]2CCC(C#N)(c3ccccc3)CC2)CC1 ZINC001257213403 1106552934 /nfs/dbraw/zinc/55/29/34/1106552934.db2.gz MWELVVZQJMRKIN-UHFFFAOYSA-N 2 2 311.473 3.417 20 30 DGEDLP C=CCC[C@H](C)[NH+]1CCn2c(C[N@@H+](C)C(C)C)cnc2[C@H]1C ZINC001258728422 1106935940 /nfs/dbraw/zinc/93/59/40/1106935940.db2.gz OTFAKRFWFHWGJE-JKSUJKDBSA-N 2 2 304.482 3.455 20 30 DGEDLP C=CCC[C@H](C)[NH+]1CCn2c(C[N@H+](C)C(C)C)cnc2[C@H]1C ZINC001258728422 1106935948 /nfs/dbraw/zinc/93/59/48/1106935948.db2.gz OTFAKRFWFHWGJE-JKSUJKDBSA-N 2 2 304.482 3.455 20 30 DGEDLP C=CCC[C@H](C)[N@H+]1CCn2c(C[NH+](C)C(C)C)cnc2[C@H]1C ZINC001258728422 1106935961 /nfs/dbraw/zinc/93/59/61/1106935961.db2.gz OTFAKRFWFHWGJE-JKSUJKDBSA-N 2 2 304.482 3.455 20 30 DGEDLP C=CCC[C@H](C)[N@@H+]1CCn2c(C[NH+](C)C(C)C)cnc2[C@H]1C ZINC001258728422 1106935969 /nfs/dbraw/zinc/93/59/69/1106935969.db2.gz OTFAKRFWFHWGJE-JKSUJKDBSA-N 2 2 304.482 3.455 20 30 DGEDLP C=CCC[C@@H](C)[NH2+]CC[C@H](C)NC(=O)c1c(C)cc(C)[nH+]c1C ZINC001320502810 1107032693 /nfs/dbraw/zinc/03/26/93/1107032693.db2.gz RWNZULILTBUGOZ-CABCVRRESA-N 2 2 317.477 3.460 20 30 DGEDLP Cc1cc([NH2+][C@H]2CCC[C@@H](C#N)C2)ccc1N1CC[NH+](C)CC1 ZINC001320864412 1107166714 /nfs/dbraw/zinc/16/67/14/1107166714.db2.gz HCYWBHAKSBYZBD-SJORKVTESA-N 2 2 312.461 3.241 20 30 DGEDLP Cc1cccc(NC[C@H]2CCC[N@@H+]2Cc2ccc(C#N)cc2F)[nH+]1 ZINC001322863150 1107771443 /nfs/dbraw/zinc/77/14/43/1107771443.db2.gz RPGPIFOFJLENGU-QGZVFWFLSA-N 2 2 324.403 3.477 20 30 DGEDLP Cc1cccc(NC[C@H]2CCC[N@H+]2Cc2ccc(C#N)cc2F)[nH+]1 ZINC001322863150 1107771457 /nfs/dbraw/zinc/77/14/57/1107771457.db2.gz RPGPIFOFJLENGU-QGZVFWFLSA-N 2 2 324.403 3.477 20 30 DGEDLP C=C(C)C[NH2+]C[C@@H]1CCCN(C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001265617847 1108934197 /nfs/dbraw/zinc/93/41/97/1108934197.db2.gz RHVVBOBALQHRAC-KRWDZBQOSA-N 2 2 315.461 3.025 20 30 DGEDLP C#CC[N@H+](C)CCC[NH2+]Cc1ccc(F)c(Cl)c1Cl ZINC001308422601 1111427009 /nfs/dbraw/zinc/42/70/09/1111427009.db2.gz MXYCWMDFEAONLL-UHFFFAOYSA-N 2 2 303.208 3.177 20 30 DGEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1ccc(F)c(Cl)c1Cl ZINC001308422601 1111427010 /nfs/dbraw/zinc/42/70/10/1111427010.db2.gz MXYCWMDFEAONLL-UHFFFAOYSA-N 2 2 303.208 3.177 20 30 DGEDLP CC[C@H]([NH2+]C[C@@]1([NH+](C)C)CCSC1)c1ccc(C#N)cc1 ZINC000278358995 214114299 /nfs/dbraw/zinc/11/42/99/214114299.db2.gz BHZKNEGOYOWLCE-IRXDYDNUSA-N 2 2 303.475 3.036 20 30 DGEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2ccccc2OC(F)F)CC1 ZINC000106246030 432020794 /nfs/dbraw/zinc/02/07/94/432020794.db2.gz HPECXSOZKOZAOQ-UHFFFAOYSA-N 2 2 310.388 3.418 20 30 DGEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CCCOc3ccc(OC)cc32)CC1 ZINC000177905333 186202070 /nfs/dbraw/zinc/20/20/70/186202070.db2.gz OECRPLZAJSFZQO-GOSISDBHSA-N 2 2 316.445 3.149 20 30 DGEDLP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccc(C#N)o2)[C@H]1c1cccs1 ZINC000246060894 432090960 /nfs/dbraw/zinc/09/09/60/432090960.db2.gz DIBBJPIRORKHML-GUYCJALGSA-N 2 2 315.442 3.385 20 30 DGEDLP C[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc(C#N)o2)[C@H]1c1cccs1 ZINC000246060894 432090964 /nfs/dbraw/zinc/09/09/64/432090964.db2.gz DIBBJPIRORKHML-GUYCJALGSA-N 2 2 315.442 3.385 20 30 DGEDLP C=CC[NH+](CC=C)[C@H](C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)C(C)C ZINC000488090586 245144462 /nfs/dbraw/zinc/14/44/62/245144462.db2.gz SOXYGIBRMWDBDS-MANSERQUSA-N 2 2 318.505 3.232 20 30 DGEDLP C=CCOc1ccc(C[NH2+][C@@H]2CCn3cc[nH+]c3C2)cc1Cl ZINC000494429942 246146930 /nfs/dbraw/zinc/14/69/30/246146930.db2.gz YGGABJHKDGMXTR-CQSZACIVSA-N 2 2 317.820 3.206 20 30 DGEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CCCc3ccc(OC)cc32)CC1 ZINC000268901341 207069930 /nfs/dbraw/zinc/06/99/30/207069930.db2.gz RFJLWUIPHZNAGG-LJQANCHMSA-N 2 2 300.446 3.313 20 30 DGEDLP N#Cc1cccc(CC[NH2+][C@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000343514687 254154492 /nfs/dbraw/zinc/15/44/92/254154492.db2.gz PJBBCAFTMQFQJT-NRFANRHFSA-N 2 2 319.452 3.355 20 30 DGEDLP N#Cc1cccc(CC[NH2+][C@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000343514687 254154493 /nfs/dbraw/zinc/15/44/93/254154493.db2.gz PJBBCAFTMQFQJT-NRFANRHFSA-N 2 2 319.452 3.355 20 30 DGEDLP C[C@H](c1ccccc1)[NH+]1CCC([NH2+]C[C@@H](C#N)CCC#N)CC1 ZINC000609709228 400187244 /nfs/dbraw/zinc/18/72/44/400187244.db2.gz IIEDVELPKMCIKR-IAGOWNOFSA-N 2 2 310.445 3.245 20 30 DGEDLP C[C@@H]1CC[NH2+][C@H](C)[C@H]1[NH2+]Cc1ccc(C#N)cc1C(F)(F)F ZINC000595894588 400288975 /nfs/dbraw/zinc/28/89/75/400288975.db2.gz XBPNIMYFGWDRER-HFAKWTLXSA-N 2 2 311.351 3.053 20 30 DGEDLP N#Cc1ccc(C[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c(C(F)(F)F)c1 ZINC000595892627 400289445 /nfs/dbraw/zinc/28/94/45/400289445.db2.gz NTTIOCGXNUBJPF-INIZCTEOSA-N 2 2 323.362 3.153 20 30 DGEDLP N#Cc1ccc(C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c(C(F)(F)F)c1 ZINC000595892627 400289450 /nfs/dbraw/zinc/28/94/50/400289450.db2.gz NTTIOCGXNUBJPF-INIZCTEOSA-N 2 2 323.362 3.153 20 30 DGEDLP C[C@@H]1CC[NH2+][C@@H](C)[C@H]1[NH2+]Cc1ccc(C#N)cc1C(F)(F)F ZINC000595894591 400289736 /nfs/dbraw/zinc/28/97/36/400289736.db2.gz XBPNIMYFGWDRER-ZETOZRRWSA-N 2 2 311.351 3.053 20 30 DGEDLP C[C@]1([NH2+]Cc2ccc(C#N)cc2)CC[N@H+](Cc2ccccc2)C1 ZINC000406062787 400300271 /nfs/dbraw/zinc/30/02/71/400300271.db2.gz JZZRPYFLKQVXTL-FQEVSTJZSA-N 2 2 305.425 3.312 20 30 DGEDLP C[C@]1([NH2+]Cc2ccc(C#N)cc2)CC[N@@H+](Cc2ccccc2)C1 ZINC000406062787 400300276 /nfs/dbraw/zinc/30/02/76/400300276.db2.gz JZZRPYFLKQVXTL-FQEVSTJZSA-N 2 2 305.425 3.312 20 30 DGEDLP C#CCCOc1ccc(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000093866050 400259024 /nfs/dbraw/zinc/25/90/24/400259024.db2.gz JTNFLPBSAKELNI-HXUWFJFHSA-N 2 2 322.408 3.137 20 30 DGEDLP C#CCCOc1ccc(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000093866050 400259033 /nfs/dbraw/zinc/25/90/33/400259033.db2.gz JTNFLPBSAKELNI-HXUWFJFHSA-N 2 2 322.408 3.137 20 30 DGEDLP N#CCCCOc1cccc(C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c1 ZINC000611268054 400369586 /nfs/dbraw/zinc/36/95/86/400369586.db2.gz AYDHHLYKBMCUJO-GOSISDBHSA-N 2 2 324.428 3.403 20 30 DGEDLP N#CCCCOc1cccc(C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c1 ZINC000611268054 400369588 /nfs/dbraw/zinc/36/95/88/400369588.db2.gz AYDHHLYKBMCUJO-GOSISDBHSA-N 2 2 324.428 3.403 20 30 DGEDLP C[C@@H](c1ccccc1)[NH+]1CCC([NH2+]Cc2cccc(C#N)n2)CC1 ZINC000602551095 400494241 /nfs/dbraw/zinc/49/42/41/400494241.db2.gz LZFXYHPXWMMYCF-INIZCTEOSA-N 2 2 320.440 3.268 20 30 DGEDLP N#Cc1cccc(C[NH+]2CCC([NH2+][C@H]3CCC[C@@H]4C[C@@H]43)CC2)c1 ZINC000597159135 400574234 /nfs/dbraw/zinc/57/42/34/400574234.db2.gz YUOUGFJVIOOEGC-HOJAQTOUSA-N 2 2 309.457 3.301 20 30 DGEDLP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@@H](C#N)CCC#N ZINC000591766125 400554860 /nfs/dbraw/zinc/55/48/60/400554860.db2.gz CWZGXBQGFHKBLR-RTBURBONSA-N 2 2 324.472 3.320 20 30 DGEDLP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@@H](C#N)CCC#N ZINC000591766125 400554862 /nfs/dbraw/zinc/55/48/62/400554862.db2.gz CWZGXBQGFHKBLR-RTBURBONSA-N 2 2 324.472 3.320 20 30 DGEDLP N#CCc1ccc(C[NH+]2CCC(Nc3cccc[nH+]3)CC2)cc1 ZINC000140496061 400619265 /nfs/dbraw/zinc/61/92/65/400619265.db2.gz KWOVGVYQDYLCCR-UHFFFAOYSA-N 2 2 306.413 3.224 20 30 DGEDLP Cc1cc(C[NH2+]CCc2cn3c(cccc3C)[nH+]2)ccc1C#N ZINC000592379345 400641955 /nfs/dbraw/zinc/64/19/55/400641955.db2.gz LJEVWSYVGLKCNF-UHFFFAOYSA-N 2 2 304.397 3.155 20 30 DGEDLP N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+][C@H]1CC[N@H+](CC2CC2)C1 ZINC000619508247 400858261 /nfs/dbraw/zinc/85/82/61/400858261.db2.gz CUGPNHFOHZHINX-AZUAARDMSA-N 2 2 309.457 3.400 20 30 DGEDLP N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+][C@H]1CC[N@@H+](CC2CC2)C1 ZINC000619508247 400858266 /nfs/dbraw/zinc/85/82/66/400858266.db2.gz CUGPNHFOHZHINX-AZUAARDMSA-N 2 2 309.457 3.400 20 30 DGEDLP C[C@H]([NH2+]C1CC[NH+](Cc2cccc(C#N)c2)CC1)c1ccco1 ZINC000593721053 400899146 /nfs/dbraw/zinc/89/91/46/400899146.db2.gz JPRHJVGBRYHXGN-HNNXBMFYSA-N 2 2 309.413 3.466 20 30 DGEDLP C=CCOc1cccc(C[NH2+]CC2CC[NH+](CC(F)F)CC2)c1 ZINC000623088820 401463193 /nfs/dbraw/zinc/46/31/93/401463193.db2.gz GJRZIRPMNSGULX-UHFFFAOYSA-N 2 2 324.415 3.318 20 30 DGEDLP COc1ccc(C#N)cc1C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000131314530 196159636 /nfs/dbraw/zinc/15/96/36/196159636.db2.gz RVOIIQYJHZMMTR-GOSISDBHSA-N 2 2 313.445 3.017 20 30 DGEDLP COc1ccc(C#N)cc1C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000131314530 196159638 /nfs/dbraw/zinc/15/96/38/196159638.db2.gz RVOIIQYJHZMMTR-GOSISDBHSA-N 2 2 313.445 3.017 20 30 DGEDLP N#Cc1ccc(C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)cc1 ZINC000361061823 270004571 /nfs/dbraw/zinc/00/45/71/270004571.db2.gz JAHHBCOUZOPICY-UHFFFAOYSA-N 2 2 308.429 3.447 20 30 DGEDLP N#Cc1ccc(C[NH2+][C@@H]2CCC[N@H+](Cc3ccccc3)C2)cc1F ZINC000403995693 268075280 /nfs/dbraw/zinc/07/52/80/268075280.db2.gz GEGHRHJJVFABRE-LJQANCHMSA-N 2 2 323.415 3.452 20 30 DGEDLP N#Cc1ccc(C[NH2+][C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1F ZINC000403995693 268075281 /nfs/dbraw/zinc/07/52/81/268075281.db2.gz GEGHRHJJVFABRE-LJQANCHMSA-N 2 2 323.415 3.452 20 30 DGEDLP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)c2cnn(C(C)C)c2C)CC1 ZINC000191273350 432243923 /nfs/dbraw/zinc/24/39/23/432243923.db2.gz CITGQWSCOLPWHK-HNNXBMFYSA-N 2 2 304.482 3.464 20 30 DGEDLP N#Cc1ccc(C[N@@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)o1 ZINC000367968080 271104276 /nfs/dbraw/zinc/10/42/76/271104276.db2.gz WNVBYMOTVFKMBI-ROUUACIJSA-N 2 2 321.424 3.105 20 30 DGEDLP N#Cc1ccc(C[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)o1 ZINC000367968080 271104281 /nfs/dbraw/zinc/10/42/81/271104281.db2.gz WNVBYMOTVFKMBI-ROUUACIJSA-N 2 2 321.424 3.105 20 30 DGEDLP N#Cc1ccc(C[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)o1 ZINC000367968080 271104287 /nfs/dbraw/zinc/10/42/87/271104287.db2.gz WNVBYMOTVFKMBI-ROUUACIJSA-N 2 2 321.424 3.105 20 30 DGEDLP N#Cc1ccc(C[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)o1 ZINC000367968080 271104292 /nfs/dbraw/zinc/10/42/92/271104292.db2.gz WNVBYMOTVFKMBI-ROUUACIJSA-N 2 2 321.424 3.105 20 30 DGEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CCCc3nc(Cl)ccc32)CC1 ZINC000297953238 275427671 /nfs/dbraw/zinc/42/76/71/275427671.db2.gz YTJOOMZYLAZWET-OAHLLOKOSA-N 2 2 305.853 3.352 20 30 DGEDLP C[C@@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)c1ccc(C#N)cc1 ZINC000121364231 431774650 /nfs/dbraw/zinc/77/46/50/431774650.db2.gz XUXDMBUORBLDRN-OAHLLOKOSA-N 2 2 306.413 3.273 20 30 DGEDLP Cc1cc(N2CC[NH+](C)CC2)ccc1[NH2+]CC(C)(C)CCC#N ZINC000092108556 431907675 /nfs/dbraw/zinc/90/76/75/431907675.db2.gz CRCSVLQOVPMNIN-UHFFFAOYSA-N 2 2 314.477 3.489 20 30 DGEDLP C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000090003674 431888117 /nfs/dbraw/zinc/88/81/17/431888117.db2.gz XRPJSIXWZURCJM-DOTOQJQBSA-N 2 2 308.429 3.307 20 30 DGEDLP C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000090003674 431888120 /nfs/dbraw/zinc/88/81/20/431888120.db2.gz XRPJSIXWZURCJM-DOTOQJQBSA-N 2 2 308.429 3.307 20 30 DGEDLP C[C@@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)c1cccc(C#N)c1 ZINC000124349612 431890567 /nfs/dbraw/zinc/89/05/67/431890567.db2.gz ZATCEJMTFWWIDB-OAHLLOKOSA-N 2 2 306.413 3.273 20 30 DGEDLP C=C(C)C[NH+]1CCC([NH2+][C@H](C)c2nc3ccccc3n2C)CC1 ZINC000091334293 431904254 /nfs/dbraw/zinc/90/42/54/431904254.db2.gz OVITWJGZTFARDF-OAHLLOKOSA-N 2 2 312.461 3.264 20 30 DGEDLP C[N@H+](Cc1ccc(C#N)cc1)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000101544251 431985227 /nfs/dbraw/zinc/98/52/27/431985227.db2.gz IERVBSCBSCXLHY-UHFFFAOYSA-N 2 2 302.381 3.376 20 30 DGEDLP C[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000101544251 431985229 /nfs/dbraw/zinc/98/52/29/431985229.db2.gz IERVBSCBSCXLHY-UHFFFAOYSA-N 2 2 302.381 3.376 20 30 DGEDLP N#Cc1cccc(C2([NH2+]C3CCN(c4cccc[nH+]4)CC3)CC2)c1 ZINC000272326797 432482584 /nfs/dbraw/zinc/48/25/84/432482584.db2.gz XCMOIPDLGBSQRD-UHFFFAOYSA-N 2 2 318.424 3.201 20 30 DGEDLP C=CC[NH+]1CCC([NH2+][C@H](COC)c2ccc(Cl)cc2)CC1 ZINC000194031947 432519007 /nfs/dbraw/zinc/51/90/07/432519007.db2.gz BCHTUHQSHBFSPR-QGZVFWFLSA-N 2 2 308.853 3.268 20 30 DGEDLP C=CC[NH+]1CCC([NH2+][C@@H](COC)c2ccc(Cl)cc2)CC1 ZINC000194031933 432519279 /nfs/dbraw/zinc/51/92/79/432519279.db2.gz BCHTUHQSHBFSPR-KRWDZBQOSA-N 2 2 308.853 3.268 20 30 DGEDLP Cc1cc(C)cc(NC(=[NH2+])NC[C@@H](c2ccsc2)[NH+](C)C)c1 ZINC000264103568 432615269 /nfs/dbraw/zinc/61/52/69/432615269.db2.gz OVLNWPLRFGXJTE-INIZCTEOSA-N 2 2 316.474 3.394 20 30 DGEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2coc(-c3ccccc3)n2)CC1 ZINC000155994309 432585583 /nfs/dbraw/zinc/58/55/83/432585583.db2.gz LVXOSPMJMIMZOT-UHFFFAOYSA-N 2 2 311.429 3.472 20 30 DGEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2cnc3ccc(Cl)cn23)CC1 ZINC000265623732 432716330 /nfs/dbraw/zinc/71/63/30/432716330.db2.gz ARFHGFJKKYHPDR-UHFFFAOYSA-N 2 2 318.852 3.118 20 30 DGEDLP C=CCOc1ccc(C[NH2+]C[C@H]([NH3+])c2ccccc2)cc1OC ZINC000414828115 433868543 /nfs/dbraw/zinc/86/85/43/433868543.db2.gz IKNPTNZZDIEYTP-KRWDZBQOSA-N 2 2 312.413 3.050 20 30 DGEDLP C=CC[NH+]1CCC([NH2+][C@@H](CC)c2ccc(C(=O)OC)cc2)CC1 ZINC000293840647 433892267 /nfs/dbraw/zinc/89/22/67/433892267.db2.gz SVWADOZWLWEVIU-SFHVURJKSA-N 2 2 316.445 3.164 20 30 DGEDLP C=CC[NH+]1CCC([NH2+][C@H](CC)c2ccc(C(=O)OC)cc2)CC1 ZINC000293840644 433892783 /nfs/dbraw/zinc/89/27/83/433892783.db2.gz SVWADOZWLWEVIU-GOSISDBHSA-N 2 2 316.445 3.164 20 30 DGEDLP Cc1cc(C)cc(NC(=[NH2+])NCc2ccccc2-n2cc[nH+]c2)c1 ZINC000303876724 433968361 /nfs/dbraw/zinc/96/83/61/433968361.db2.gz IFSIYUWCCDRYCI-UHFFFAOYSA-N 2 2 319.412 3.416 20 30 DGEDLP C#Cc1ccc(C[NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)cc1 ZINC000368032209 434564457 /nfs/dbraw/zinc/56/44/57/434564457.db2.gz XULRAGALWKLWDF-UHFFFAOYSA-N 2 2 305.356 3.283 20 30 DGEDLP C[N@H+](CC1(C#N)CCC1)[C@H]1CCC[NH+](CC2(C#N)CCC2)CC1 ZINC000574486062 434981909 /nfs/dbraw/zinc/98/19/09/434981909.db2.gz QWCVZZXUXJPROI-KRWDZBQOSA-N 2 2 314.477 3.160 20 30 DGEDLP C[N@@H+](CC1(C#N)CCC1)[C@H]1CCC[NH+](CC2(C#N)CCC2)CC1 ZINC000574486062 434981912 /nfs/dbraw/zinc/98/19/12/434981912.db2.gz QWCVZZXUXJPROI-KRWDZBQOSA-N 2 2 314.477 3.160 20 30 DGEDLP C[NH+](CC1(C#N)CCC1)[C@H]1CCC[N@@H+](CC2(C#N)CCC2)CC1 ZINC000574486062 434981920 /nfs/dbraw/zinc/98/19/20/434981920.db2.gz QWCVZZXUXJPROI-KRWDZBQOSA-N 2 2 314.477 3.160 20 30 DGEDLP C[N@H+](Cc1ccccc1)C1(C[NH2+]C[C@@H](C#N)CCC#N)CCC1 ZINC000574787066 435002841 /nfs/dbraw/zinc/00/28/41/435002841.db2.gz NBRHHIBJCQQWPB-GOSISDBHSA-N 2 2 310.445 3.074 20 30 DGEDLP C[N@@H+](Cc1ccccc1)C1(C[NH2+]C[C@@H](C#N)CCC#N)CCC1 ZINC000574787066 435002843 /nfs/dbraw/zinc/00/28/43/435002843.db2.gz NBRHHIBJCQQWPB-GOSISDBHSA-N 2 2 310.445 3.074 20 30 DGEDLP C[N@H+](Cc1ccccc1)C1(C[NH2+]C[C@H](C#N)CCC#N)CCC1 ZINC000574787072 435003864 /nfs/dbraw/zinc/00/38/64/435003864.db2.gz NBRHHIBJCQQWPB-SFHVURJKSA-N 2 2 310.445 3.074 20 30 DGEDLP C[N@@H+](Cc1ccccc1)C1(C[NH2+]C[C@H](C#N)CCC#N)CCC1 ZINC000574787072 435003870 /nfs/dbraw/zinc/00/38/70/435003870.db2.gz NBRHHIBJCQQWPB-SFHVURJKSA-N 2 2 310.445 3.074 20 30 DGEDLP CC[C@@H](CC#N)[NH2+]Cc1ccc(F)c(C[NH2+][C@@H](CC)CC#N)c1 ZINC000567121353 435292036 /nfs/dbraw/zinc/29/20/36/435292036.db2.gz CGLLFYPUEKTQMM-IRXDYDNUSA-N 2 2 316.424 3.389 20 30 DGEDLP N#Cc1cc(C[NH+]2CCC(Nc3cccc[nH+]3)CC2)ccc1F ZINC000535577244 435338992 /nfs/dbraw/zinc/33/89/92/435338992.db2.gz UECURWHNUQGCDM-UHFFFAOYSA-N 2 2 310.376 3.169 20 30 DGEDLP C=C(C)[C@@H]([NH2+]C1CC[NH+](CCOC)CC1)c1ccc(F)c(F)c1 ZINC000480661651 435389593 /nfs/dbraw/zinc/38/95/93/435389593.db2.gz INOUHCQVKWYUDV-GOSISDBHSA-N 2 2 324.415 3.282 20 30 DGEDLP Cc1ccc(CC[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)o1 ZINC000538398446 435496786 /nfs/dbraw/zinc/49/67/86/435496786.db2.gz PVEULXHKUIHCIZ-UHFFFAOYSA-N 2 2 323.440 3.256 20 30 DGEDLP C=CC[NH+]1CCC([NH2+][C@@H]2C[C@@H](Oc3ccccc3)C2(C)C)CC1 ZINC000572189827 435791987 /nfs/dbraw/zinc/79/19/87/435791987.db2.gz JRODIWSHUGXKRY-RTBURBONSA-N 2 2 314.473 3.473 20 30 DGEDLP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](CC#Cc1ccc(Cl)cc1)C2 ZINC000660659113 435844334 /nfs/dbraw/zinc/84/43/34/435844334.db2.gz NHLUCJAZGRTKRB-GOSISDBHSA-N 2 2 302.849 3.109 20 30 DGEDLP C[N@H+]1CC[C@@]2(C1)CCC[NH+](CC#Cc1ccc(Cl)cc1)C2 ZINC000660659113 435844339 /nfs/dbraw/zinc/84/43/39/435844339.db2.gz NHLUCJAZGRTKRB-GOSISDBHSA-N 2 2 302.849 3.109 20 30 DGEDLP C[NH+]1CC[C@@]2(C1)CCC[N@H+](CC#Cc1ccc(Cl)cc1)C2 ZINC000660659113 435844342 /nfs/dbraw/zinc/84/43/42/435844342.db2.gz NHLUCJAZGRTKRB-GOSISDBHSA-N 2 2 302.849 3.109 20 30 DGEDLP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](CC#Cc1ccc(Cl)cc1)C2 ZINC000660659113 435844347 /nfs/dbraw/zinc/84/43/47/435844347.db2.gz NHLUCJAZGRTKRB-GOSISDBHSA-N 2 2 302.849 3.109 20 30 DGEDLP C=CCOc1cccc(C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)c1 ZINC000655857568 435850094 /nfs/dbraw/zinc/85/00/94/435850094.db2.gz WCKVWTVUXPAMRD-OALUTQOASA-N 2 2 300.446 3.358 20 30 DGEDLP C=CCOc1cccc(C[NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)c1 ZINC000655857568 435850098 /nfs/dbraw/zinc/85/00/98/435850098.db2.gz WCKVWTVUXPAMRD-OALUTQOASA-N 2 2 300.446 3.358 20 30 DGEDLP C=CCOc1ccc(C[NH2+][C@H]2CC[NH2+]C23CCCC3)cc1OC ZINC000647554331 436085946 /nfs/dbraw/zinc/08/59/46/436085946.db2.gz WVROTUQMDGSNFI-SFHVURJKSA-N 2 2 316.445 3.024 20 30 DGEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2cccc(OC3CC3)c2F)CC1 ZINC000657353335 436155494 /nfs/dbraw/zinc/15/54/94/436155494.db2.gz QKEWASWWKKIKCR-UHFFFAOYSA-N 2 2 318.436 3.497 20 30 DGEDLP Cc1cncc(C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000182084613 323282948 /nfs/dbraw/zinc/28/29/48/323282948.db2.gz QLGPWYPCWCFBIW-UHFFFAOYSA-N 2 2 320.440 3.016 20 30 DGEDLP C[C@H]([NH2+]Cc1ccc(F)cc1C#N)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185724398 323394499 /nfs/dbraw/zinc/39/44/99/323394499.db2.gz RQRSHHIURIPENF-GOEBONIOSA-N 2 2 315.436 3.440 20 30 DGEDLP C[C@H]([NH2+]Cc1ccc(F)cc1C#N)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185724398 323394501 /nfs/dbraw/zinc/39/45/01/323394501.db2.gz RQRSHHIURIPENF-GOEBONIOSA-N 2 2 315.436 3.440 20 30 DGEDLP C[C@@H]([NH2+]Cc1ccc(F)cc1C#N)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185724455 323394551 /nfs/dbraw/zinc/39/45/51/323394551.db2.gz RQRSHHIURIPENF-ZBFHGGJFSA-N 2 2 315.436 3.440 20 30 DGEDLP C[C@@H]([NH2+]Cc1ccc(F)cc1C#N)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185724455 323394553 /nfs/dbraw/zinc/39/45/53/323394553.db2.gz RQRSHHIURIPENF-ZBFHGGJFSA-N 2 2 315.436 3.440 20 30 DGEDLP Cc1cc(C)cc(NC(=[NH2+])NCCCCNc2cccc[nH+]2)c1 ZINC000264327284 333955661 /nfs/dbraw/zinc/95/56/61/333955661.db2.gz ZBJGYQVQLQCPKN-UHFFFAOYSA-N 2 2 311.433 3.317 20 30 DGEDLP COc1cccc([C@H](C[NH2+][C@H]2CC[C@H](C#N)C2)[NH+]2CCCC2)c1 ZINC000442647141 533781968 /nfs/dbraw/zinc/78/19/68/533781968.db2.gz LERPXVGAKKQVJW-IEZWGBDMSA-N 2 2 313.445 3.114 20 30 DGEDLP Clc1cccc(C#CC[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)c1 ZINC000157314465 534642676 /nfs/dbraw/zinc/64/26/76/534642676.db2.gz ZJDPCJLNLOGXNC-GOSISDBHSA-N 2 2 312.800 3.240 20 30 DGEDLP Clc1cccc(C#CC[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)c1 ZINC000157314465 534642678 /nfs/dbraw/zinc/64/26/78/534642678.db2.gz ZJDPCJLNLOGXNC-GOSISDBHSA-N 2 2 312.800 3.240 20 30 DGEDLP C=CC[N@H+](Cc1ccccc1)Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000177251401 526357255 /nfs/dbraw/zinc/35/72/55/526357255.db2.gz AAOUMSNAUSGIJL-UHFFFAOYSA-N 2 2 304.397 3.456 20 30 DGEDLP C=CC[N@@H+](Cc1ccccc1)Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000177251401 526357258 /nfs/dbraw/zinc/35/72/58/526357258.db2.gz AAOUMSNAUSGIJL-UHFFFAOYSA-N 2 2 304.397 3.456 20 30 DGEDLP C=C(C)CC[NH+](C)C[C@@H]1CCC[N@@H+](CC)[C@@H]1c1cnn(C)c1 ZINC000352414103 526437645 /nfs/dbraw/zinc/43/76/45/526437645.db2.gz RYEDJWPNAFWRCA-WMZOPIPTSA-N 2 2 304.482 3.091 20 30 DGEDLP C=C(C)CC[NH+](C)C[C@@H]1CCC[N@H+](CC)[C@@H]1c1cnn(C)c1 ZINC000352414103 526437651 /nfs/dbraw/zinc/43/76/51/526437651.db2.gz RYEDJWPNAFWRCA-WMZOPIPTSA-N 2 2 304.482 3.091 20 30 DGEDLP C=C(C)CC[N@@H+](C)C[C@@H]1CCC[NH+](CC)[C@@H]1c1cnn(C)c1 ZINC000352414103 526437655 /nfs/dbraw/zinc/43/76/55/526437655.db2.gz RYEDJWPNAFWRCA-WMZOPIPTSA-N 2 2 304.482 3.091 20 30 DGEDLP C=C(C)CC[N@H+](C)C[C@@H]1CCC[NH+](CC)[C@@H]1c1cnn(C)c1 ZINC000352414103 526437658 /nfs/dbraw/zinc/43/76/58/526437658.db2.gz RYEDJWPNAFWRCA-WMZOPIPTSA-N 2 2 304.482 3.091 20 30 DGEDLP C=C(C)C[NH+]1CCC([NH2+]C2CC(C#N)(c3ccccc3)C2)CC1 ZINC000126774887 526602030 /nfs/dbraw/zinc/60/20/30/526602030.db2.gz MSQQWWLXWTXOTP-UHFFFAOYSA-N 2 2 309.457 3.240 20 30 DGEDLP CC1(C#N)CCC([NH2+]C2CC[NH+](Cc3ccccn3)CC2)CC1 ZINC000449090205 535273047 /nfs/dbraw/zinc/27/30/47/535273047.db2.gz MOBFWPWJEXHIMM-UHFFFAOYSA-N 2 2 312.461 3.108 20 30 DGEDLP C=CCC1([NH2+]C2CC[NH+](CCC(F)(F)F)CC2)CCOCC1 ZINC000668553060 547477752 /nfs/dbraw/zinc/47/77/52/547477752.db2.gz ZTASDBWQVXZUDZ-UHFFFAOYSA-N 2 2 320.399 3.118 20 30 DGEDLP N#Cc1ccc(F)c(C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000742383956 574995334 /nfs/dbraw/zinc/99/53/34/574995334.db2.gz WIDVZPABZLAKPO-UHFFFAOYSA-N 2 2 306.344 3.173 20 30 DGEDLP C=CC[NH+]1CCC([NH2+]Cc2cc3cccc(OC)c3o2)CC1 ZINC000730019281 575270043 /nfs/dbraw/zinc/27/00/43/575270043.db2.gz IFKQFJLTWFKSJJ-UHFFFAOYSA-N 2 2 300.402 3.181 20 30 DGEDLP Cc1cc(CO[NH+]=C(N)c2ccc(C[NH+](C)C)cc2)c(C)s1 ZINC000747838931 575545337 /nfs/dbraw/zinc/54/53/37/575545337.db2.gz SDJIMFMJSZJGOT-UHFFFAOYSA-N 2 2 317.458 3.264 20 30 DGEDLP CC(=[NH+]N1CC[NH+](C)CC1)c1ccc(N2CCCCCC2)cc1 ZINC000916620607 620639500 /nfs/dbraw/zinc/63/95/00/620639500.db2.gz PPJAOFSCTDLNHC-UHFFFAOYSA-N 2 2 314.477 3.038 20 30 DGEDLP C#CCCCOc1ccc[nH+]c1NC1CCC([NH+](C)C)CC1 ZINC000853696380 620725934 /nfs/dbraw/zinc/72/59/34/620725934.db2.gz GIDWLNQCDHRWIS-UHFFFAOYSA-N 2 2 301.434 3.159 20 30 DGEDLP CC[C@H]([NH2+]CC1CC[NH+](CC)CC1)c1cccc(C#N)c1O ZINC000924953547 618747931 /nfs/dbraw/zinc/74/79/31/618747931.db2.gz DAKWIZWOHIEGDV-KRWDZBQOSA-N 2 2 301.434 3.036 20 30 DGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@@H]3C[C@@H]4CCC[C@H]34)CC2)cc1 ZINC000897955388 619198443 /nfs/dbraw/zinc/19/84/43/619198443.db2.gz UCUAHYRYTHKTHI-YSIASYRMSA-N 2 2 309.457 3.301 20 30 DGEDLP C=CCOc1ccccc1C[NH+]1CCC([NH2+]C2CCC2)CC1 ZINC000897985217 619203356 /nfs/dbraw/zinc/20/33/56/619203356.db2.gz KWIAXNWIQUUCLM-UHFFFAOYSA-N 2 2 300.446 3.358 20 30 DGEDLP C[C@@H](CC(C)(C)C#N)[NH2+]CC1([NH+]2CCSCC2)CCCC1 ZINC000924656562 619254462 /nfs/dbraw/zinc/25/44/62/619254462.db2.gz SQVAOCSXJQOXOA-HNNXBMFYSA-N 2 2 309.523 3.266 20 30 DGEDLP C=CC[NH+](CC=C)[C@H](C[NH2+][C@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21)C(C)C ZINC000902742854 619668821 /nfs/dbraw/zinc/66/88/21/619668821.db2.gz ZILLCYJEROCVCR-IPJCAIGPSA-N 2 2 318.505 3.088 20 30 DGEDLP N#CC1(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)CC1 ZINC000903105466 619717411 /nfs/dbraw/zinc/71/74/11/619717411.db2.gz CJUSCVOITPKCGM-OTWHNJEPSA-N 2 2 309.457 3.323 20 30 DGEDLP N#CC1(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)CC1 ZINC000903105466 619717412 /nfs/dbraw/zinc/71/74/12/619717412.db2.gz CJUSCVOITPKCGM-OTWHNJEPSA-N 2 2 309.457 3.323 20 30 DGEDLP C=C(Cl)C[NH+]1CC[C@@H](Oc2ccnc(C[N@@H+](C)C(C)C)c2)C1 ZINC000856597992 621006662 /nfs/dbraw/zinc/00/66/62/621006662.db2.gz CYDGORYHXWTXBH-QGZVFWFLSA-N 2 2 323.868 3.127 20 30 DGEDLP C=C(Cl)C[NH+]1CC[C@@H](Oc2ccnc(C[N@H+](C)C(C)C)c2)C1 ZINC000856597992 621006664 /nfs/dbraw/zinc/00/66/64/621006664.db2.gz CYDGORYHXWTXBH-QGZVFWFLSA-N 2 2 323.868 3.127 20 30 DGEDLP C=C(Cl)C[N@H+]1CC[C@@H](Oc2ccnc(C[NH+](C)C(C)C)c2)C1 ZINC000856597992 621006666 /nfs/dbraw/zinc/00/66/66/621006666.db2.gz CYDGORYHXWTXBH-QGZVFWFLSA-N 2 2 323.868 3.127 20 30 DGEDLP C=C(Cl)C[N@@H+]1CC[C@@H](Oc2ccnc(C[NH+](C)C(C)C)c2)C1 ZINC000856597992 621006669 /nfs/dbraw/zinc/00/66/69/621006669.db2.gz CYDGORYHXWTXBH-QGZVFWFLSA-N 2 2 323.868 3.127 20 30 DGEDLP N#CCOc1ccc(C[NH+]2CCC(Nc3cccc[nH+]3)CC2)cc1 ZINC000761116847 621988147 /nfs/dbraw/zinc/98/81/47/621988147.db2.gz DOMKYOQKTMSYER-UHFFFAOYSA-N 2 2 322.412 3.060 20 30 DGEDLP C[C@@H]([NH2+]CCCC[NH+]1CCC(C)CC1)c1cccc(C#N)c1O ZINC000866234284 622072003 /nfs/dbraw/zinc/07/20/03/622072003.db2.gz LBPWCILZMOAYNC-MRXNPFEDSA-N 2 2 315.461 3.427 20 30 DGEDLP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2cccc(C#N)c2O)C1 ZINC000866259543 622078038 /nfs/dbraw/zinc/07/80/38/622078038.db2.gz CIURZOLSWIOAIW-GJZGRUSLSA-N 2 2 301.434 3.035 20 30 DGEDLP C[C@H](CC[NH2+][C@@H](C)c1cccc(C#N)c1O)[NH+]1CCCCC1 ZINC000866338394 622096842 /nfs/dbraw/zinc/09/68/42/622096842.db2.gz RBXOQAOFWULWOX-CABCVRRESA-N 2 2 301.434 3.179 20 30 DGEDLP C[NH+](C)c1ccc(N2CCC([NH2+][C@@H]3CC[C@@H](C#N)C3)CC2)cc1 ZINC000770005043 622589611 /nfs/dbraw/zinc/58/96/11/622589611.db2.gz RNTZKXASZYTZDQ-NVXWUHKLSA-N 2 2 312.461 3.003 20 30 DGEDLP C#CCOc1cccc(Cl)c1C[NH2+]C[C@H]1CC[N@@H+](C(C)C)C1 ZINC000778161568 623617672 /nfs/dbraw/zinc/61/76/72/623617672.db2.gz LZHMUNXOHNAKSI-OAHLLOKOSA-N 2 2 320.864 3.172 20 30 DGEDLP C#CCOc1cccc(Cl)c1C[NH2+]C[C@H]1CC[N@H+](C(C)C)C1 ZINC000778161568 623617674 /nfs/dbraw/zinc/61/76/74/623617674.db2.gz LZHMUNXOHNAKSI-OAHLLOKOSA-N 2 2 320.864 3.172 20 30 DGEDLP C#CCOc1cccc(Cl)c1C[NH2+]C[C@H]1CC[N@@H+](CCC)C1 ZINC000778159729 623617692 /nfs/dbraw/zinc/61/76/92/623617692.db2.gz OQWZPLZGAADYJB-OAHLLOKOSA-N 2 2 320.864 3.174 20 30 DGEDLP C#CCOc1cccc(Cl)c1C[NH2+]C[C@H]1CC[N@H+](CCC)C1 ZINC000778159729 623617694 /nfs/dbraw/zinc/61/76/94/623617694.db2.gz OQWZPLZGAADYJB-OAHLLOKOSA-N 2 2 320.864 3.174 20 30 DGEDLP C=CC[NH+]1CCC([NH2+][C@H](c2ccccc2)C2CCOCC2)CC1 ZINC000782761781 624280881 /nfs/dbraw/zinc/28/08/81/624280881.db2.gz QENRFYDHBNFUIS-HXUWFJFHSA-N 2 2 314.473 3.394 20 30 DGEDLP C[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]Cc2ccc(C#N)cn2)CC1 ZINC000783300115 624335857 /nfs/dbraw/zinc/33/58/57/624335857.db2.gz IGOOLLMFKCMSGS-KXBFYZLASA-N 2 2 312.461 3.086 20 30 DGEDLP C[C@H]1C[C@H]([NH2+]Cc2ccc(C#N)cn2)CC[N@@H+]1Cc1ccccc1 ZINC000783300986 624336751 /nfs/dbraw/zinc/33/67/51/624336751.db2.gz RVCSDNYFOKQNMY-QFBILLFUSA-N 2 2 320.440 3.096 20 30 DGEDLP C[C@H]1C[C@H]([NH2+]Cc2ccc(C#N)cn2)CC[N@H+]1Cc1ccccc1 ZINC000783300986 624336753 /nfs/dbraw/zinc/33/67/53/624336753.db2.gz RVCSDNYFOKQNMY-QFBILLFUSA-N 2 2 320.440 3.096 20 30 DGEDLP C=CCC[C@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)[C@@H]1Cc2ccccc2O1 ZINC000883218006 626612429 /nfs/dbraw/zinc/61/24/29/626612429.db2.gz SFCKDCFABFRHBO-AOIWGVFYSA-N 2 2 323.440 3.126 20 30 DGEDLP N#C[C@@H]1CCC[C@@H]([NH2+]c2ccc(N3CC[N@@H+]4CCC[C@@H]4C3)cc2)C1 ZINC000883347658 626656367 /nfs/dbraw/zinc/65/63/67/626656367.db2.gz WPRUTORXBYJTCQ-YVWKXTFCSA-N 2 2 324.472 3.465 20 30 DGEDLP N#C[C@@H]1CCC[C@@H]([NH2+]c2ccc(N3CC[N@H+]4CCC[C@@H]4C3)cc2)C1 ZINC000883347658 626656374 /nfs/dbraw/zinc/65/63/74/626656374.db2.gz WPRUTORXBYJTCQ-YVWKXTFCSA-N 2 2 324.472 3.465 20 30 DGEDLP CC[C@H]([NH2+]C[C@H]1CCC[N@@H+](C(C)C)C1)c1cccc(C#N)c1O ZINC000924960665 627697872 /nfs/dbraw/zinc/69/78/72/627697872.db2.gz QPXBUYJFMWDKSU-QAPCUYQASA-N 2 2 315.461 3.425 20 30 DGEDLP CC[C@H]([NH2+]C[C@H]1CCC[N@H+](C(C)C)C1)c1cccc(C#N)c1O ZINC000924960665 627697877 /nfs/dbraw/zinc/69/78/77/627697877.db2.gz QPXBUYJFMWDKSU-QAPCUYQASA-N 2 2 315.461 3.425 20 30 DGEDLP CC[C@@H]([NH2+]C[C@H]1CCC[N@@H+](C(C)C)C1)c1cccc(C#N)c1O ZINC000924960662 627698053 /nfs/dbraw/zinc/69/80/53/627698053.db2.gz QPXBUYJFMWDKSU-CRAIPNDOSA-N 2 2 315.461 3.425 20 30 DGEDLP CC[C@@H]([NH2+]C[C@H]1CCC[N@H+](C(C)C)C1)c1cccc(C#N)c1O ZINC000924960662 627698056 /nfs/dbraw/zinc/69/80/56/627698056.db2.gz QPXBUYJFMWDKSU-CRAIPNDOSA-N 2 2 315.461 3.425 20 30 DGEDLP C#CC[N@H+](C)CCC[NH2+]Cc1ccc(-c2c(F)cccc2F)o1 ZINC000821215761 628347672 /nfs/dbraw/zinc/34/76/72/628347672.db2.gz YHUHJCJESXASAR-UHFFFAOYSA-N 2 2 318.367 3.270 20 30 DGEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1ccc(-c2c(F)cccc2F)o1 ZINC000821215761 628347675 /nfs/dbraw/zinc/34/76/75/628347675.db2.gz YHUHJCJESXASAR-UHFFFAOYSA-N 2 2 318.367 3.270 20 30 DGEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2cnc(N(CC)CC)s2)CC1 ZINC000106245684 631218029 /nfs/dbraw/zinc/21/80/29/631218029.db2.gz NXBLABLMGCOMMD-UHFFFAOYSA-N 2 2 322.522 3.119 20 30 DGEDLP Oc1ccccc1/C=[NH+]/CC1CC[NH+](Cc2ccncc2)CC1 ZINC000849169661 631852561 /nfs/dbraw/zinc/85/25/61/631852561.db2.gz FWAADNQIIZTJHE-KGENOOAVSA-N 2 2 309.413 3.118 20 30 DGEDLP C#CC[N@@H+](C)CCC[NH2+][C@H](C)c1cc2cccc(OC)c2o1 ZINC000328216062 656056738 /nfs/dbraw/zinc/05/67/38/656056738.db2.gz YCBYTZUUVPNJGG-CQSZACIVSA-N 2 2 300.402 3.047 20 30 DGEDLP C#CC[N@H+](C)CCC[NH2+][C@H](C)c1cc2cccc(OC)c2o1 ZINC000328216062 656056740 /nfs/dbraw/zinc/05/67/40/656056740.db2.gz YCBYTZUUVPNJGG-CQSZACIVSA-N 2 2 300.402 3.047 20 30 DGEDLP C#CCOc1ccccc1C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000092066775 662327528 /nfs/dbraw/zinc/32/75/28/662327528.db2.gz WQSXFSJKKCYLHN-XLIONFOSSA-N 2 2 324.468 3.147 20 30 DGEDLP C#CCOc1ccccc1C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000092066775 662327530 /nfs/dbraw/zinc/32/75/30/662327530.db2.gz WQSXFSJKKCYLHN-XLIONFOSSA-N 2 2 324.468 3.147 20 30 DGEDLP C#CCOc1ccccc1C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000092066775 662327532 /nfs/dbraw/zinc/32/75/32/662327532.db2.gz WQSXFSJKKCYLHN-XLIONFOSSA-N 2 2 324.468 3.147 20 30 DGEDLP C#CCOc1ccccc1C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000092066775 662327534 /nfs/dbraw/zinc/32/75/34/662327534.db2.gz WQSXFSJKKCYLHN-XLIONFOSSA-N 2 2 324.468 3.147 20 30 DGEDLP C[C@H]1CCCC[C@@]1(C[NH3+])[NH2+]Cc1cc(Cl)ccc1OCC#N ZINC001576690040 1191863204 /nfs/dbraw/zinc/86/32/04/1191863204.db2.gz HYXMKESZNRXAQF-GUYCJALGSA-N 2 2 321.852 3.240 20 30 DGEDLP C=CCC[C@@H](C)[NH2+][C@H]1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001480114266 1180285981 /nfs/dbraw/zinc/28/59/81/1180285981.db2.gz VTAKRADMNYZAAM-PBHICJAKSA-N 2 2 315.461 3.166 20 30 DGEDLP C=CCOc1ccc(C[NH2+][C@@H](C)Cn2cc[nH+]c2)cc1Cl ZINC001461037982 1182760268 /nfs/dbraw/zinc/76/02/68/1182760268.db2.gz DKOGVZSNVUXCLM-ZDUSSCGKSA-N 2 2 305.809 3.280 20 30 DGEDLP Fc1ccc(C#CC[NH2+][C@H](Cn2cc[nH+]c2)c2ccccc2)cc1 ZINC001473748477 1183796947 /nfs/dbraw/zinc/79/69/47/1183796947.db2.gz ZEEOWESTIZAGLM-HXUWFJFHSA-N 2 2 319.383 3.405 20 30 DGEDLP C=CCCC[N@@H+](C)CCCN(C)C(=O)c1c(C)cc(C)[nH+]c1C ZINC001502357286 1185973979 /nfs/dbraw/zinc/97/39/79/1185973979.db2.gz QFUYNEAEALUHBY-UHFFFAOYSA-N 2 2 317.477 3.367 20 30 DGEDLP C=CCCC[N@H+](C)CCCN(C)C(=O)c1c(C)cc(C)[nH+]c1C ZINC001502357286 1185973982 /nfs/dbraw/zinc/97/39/82/1185973982.db2.gz QFUYNEAEALUHBY-UHFFFAOYSA-N 2 2 317.477 3.367 20 30 DGEDLP C=C(C)CC[NH2+][C@H]1CN(C(=O)c2c(C)cc(C)[nH+]c2C)C[C@@H]1C ZINC001570349381 1190842125 /nfs/dbraw/zinc/84/21/25/1190842125.db2.gz PCUFBMSJUQDOEO-YOEHRIQHSA-N 2 2 315.461 3.023 20 30 DGEDLP C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2c(C)cc(C)[nH+]c2C)C[C@@H]1C ZINC001570349380 1190842300 /nfs/dbraw/zinc/84/23/00/1190842300.db2.gz PCUFBMSJUQDOEO-WMLDXEAASA-N 2 2 315.461 3.023 20 30 DGEDLP CC(C)(C#N)c1ccc(C[NH2+][C@@H]2Cc3ccccc3[C@H]2[NH3+])cc1 ZINC001575098953 1191466649 /nfs/dbraw/zinc/46/66/49/1191466649.db2.gz IPZSBEVBTVLLAT-RTBURBONSA-N 2 2 305.425 3.202 20 30 DGEDLP N#Cc1ccc(C[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)cc1F ZINC001652667094 1195634559 /nfs/dbraw/zinc/63/45/59/1195634559.db2.gz FKQLPBXYEHDUFI-UHFFFAOYSA-N 2 2 312.373 3.234 20 30 DGEDLP N#Cc1cccc(C[NH2+][C@@H](Cn2cc[nH+]c2)c2ccccc2)c1 ZINC001655430731 1195916124 /nfs/dbraw/zinc/91/61/24/1195916124.db2.gz FQWHGWBXFJCMOP-IBGZPJMESA-N 2 2 302.381 3.286 20 30 DGEDLP Cn1cc[nH+]c1C[C@H]([NH2+]CC#Cc1ccccc1)c1ccccc1 ZINC001658613733 1196280984 /nfs/dbraw/zinc/28/09/84/1196280984.db2.gz HIKGZZKQFKAOSI-FQEVSTJZSA-N 2 2 315.420 3.345 20 30 DGEDLP C=C(C)C[NH2+][C@H](C)[C@@H]1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001754796623 1200493487 /nfs/dbraw/zinc/49/34/87/1200493487.db2.gz DWGWHIAEHCXNJF-NVXWUHKLSA-N 2 2 315.461 3.023 20 30 DGEDLP C=CCCC[NH2+][C@@H](C)CN(C)C(=O)c1c(C)cc(C)[nH+]c1C ZINC001700761992 1202349859 /nfs/dbraw/zinc/34/98/59/1202349859.db2.gz YRZXEOALWMSQPC-HNNXBMFYSA-N 2 2 303.450 3.023 20 30 DGEDLP C=CCCC[N@@H+](C)C[C@@H](C)NC(=O)c1c(C)cc(C)[nH+]c1C ZINC001733047282 1204999284 /nfs/dbraw/zinc/99/92/84/1204999284.db2.gz VSALUKGDGATFBX-OAHLLOKOSA-N 2 2 303.450 3.023 20 30 DGEDLP C=CCCC[N@H+](C)C[C@@H](C)NC(=O)c1c(C)cc(C)[nH+]c1C ZINC001733047282 1204999285 /nfs/dbraw/zinc/99/92/85/1204999285.db2.gz VSALUKGDGATFBX-OAHLLOKOSA-N 2 2 303.450 3.023 20 30 DGEDLP C=CCC[NH2+]CC(C)(C)CN(C)C(=O)c1c(C)cc(C)[nH+]c1C ZINC001734018222 1205290111 /nfs/dbraw/zinc/29/01/11/1205290111.db2.gz GPPAIFULWYRMJS-UHFFFAOYSA-N 2 2 317.477 3.271 20 30 DGEDLP C=CCC[N@@H+](C)C1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)CC1 ZINC001734270474 1205353176 /nfs/dbraw/zinc/35/31/76/1205353176.db2.gz DXGWDJOIKSKUBL-UHFFFAOYSA-N 2 2 315.461 3.119 20 30 DGEDLP C=CCC[N@H+](C)C1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)CC1 ZINC001734270474 1205353177 /nfs/dbraw/zinc/35/31/77/1205353177.db2.gz DXGWDJOIKSKUBL-UHFFFAOYSA-N 2 2 315.461 3.119 20 30 DGEDLP C=CCC[C@@H](C)[NH2+][C@H](C)CNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001266956317 1082373711 /nfs/dbraw/zinc/37/37/11/1082373711.db2.gz OYGVOMBFUDCLPK-UKRRQHHQSA-N 2 2 303.450 3.069 20 30 DGEDLP CC(C)[Si](C#C[NH2+][C@@H](C)[C@@H]1C[NH2+]CCO1)(C(C)C)C(C)C ZINC001170568423 1082685812 /nfs/dbraw/zinc/68/58/12/1082685812.db2.gz ONCFGSCXBBWTMN-IRXDYDNUSA-N 2 2 310.558 3.132 20 30 DGEDLP C=CCCC[N@@H+](CC)[C@H](C)CNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001154403917 1088597332 /nfs/dbraw/zinc/59/73/32/1088597332.db2.gz PBXDSXJDVRCALY-MRXNPFEDSA-N 2 2 317.477 3.413 20 30 DGEDLP C=CCCC[N@H+](CC)[C@H](C)CNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001154403917 1088597342 /nfs/dbraw/zinc/59/73/42/1088597342.db2.gz PBXDSXJDVRCALY-MRXNPFEDSA-N 2 2 317.477 3.413 20 30 DGEDLP CC(=O)C=C(C)Nc1ccc2c(c1)[nH+]cn2[C@@H]1CCC[NH2+]CC1 ZINC001163738143 1090245954 /nfs/dbraw/zinc/24/59/54/1090245954.db2.gz RBLGUDGPVQNISV-IVOILVROSA-N 2 2 312.417 3.256 20 30 DGEDLP Cc1c[nH+]c(C)c(Nc2ccc(N3CC[NH+](C)CC3)c(C#N)c2)c1 ZINC001203663381 1090776197 /nfs/dbraw/zinc/77/61/97/1090776197.db2.gz OQTMHWRAPZIZMH-UHFFFAOYSA-N 2 2 321.428 3.066 20 30 DGEDLP Nc1ccccc1C(NO)=[NH+]c1cccc(C[NH+]2CCCCC2)c1 ZINC001204119201 1090905694 /nfs/dbraw/zinc/90/56/94/1090905694.db2.gz ZCYKFSBYABHUFI-UHFFFAOYSA-N 2 2 324.428 3.312 20 30 DGEDLP C=CCC[NH2+][C@H](C)C[C@H](C)NC(=O)c1c(C)cc(C)[nH+]c1C ZINC001135044181 1094378005 /nfs/dbraw/zinc/37/80/05/1094378005.db2.gz PZSCUNWLQCQJSS-HIFRSBDPSA-N 2 2 303.450 3.069 20 30 DGEDLP CCCCCCCCCC[C@@H](O)C[N@@H+]1CC[C@](F)(C[NH3+])C1 ZINC001246065575 1094986868 /nfs/dbraw/zinc/98/68/68/1094986868.db2.gz WTECGICDVRIBKK-SJORKVTESA-N 2 2 302.478 3.251 20 30 DGEDLP CCCCCCCCCC[C@@H](O)C[N@H+]1CC[C@](F)(C[NH3+])C1 ZINC001246065575 1094986876 /nfs/dbraw/zinc/98/68/76/1094986876.db2.gz WTECGICDVRIBKK-SJORKVTESA-N 2 2 302.478 3.251 20 30 DGEDLP Cc1cc(C#N)cc(C)c1-c1ccccc1C[N@@H+]1CC[C@@H]([NH3+])C1 ZINC001222666504 1095714455 /nfs/dbraw/zinc/71/44/55/1095714455.db2.gz GDTAYQKJBGJWKM-GOSISDBHSA-N 2 2 305.425 3.375 20 30 DGEDLP Cc1cc(C#N)cc(C)c1-c1ccccc1C[N@H+]1CC[C@@H]([NH3+])C1 ZINC001222666504 1095714466 /nfs/dbraw/zinc/71/44/66/1095714466.db2.gz GDTAYQKJBGJWKM-GOSISDBHSA-N 2 2 305.425 3.375 20 30 DGEDLP Cc1cc(C#N)cc(C)c1-c1ccc(C[N@@H+]2CC[C@H]([NH3+])C2)cc1 ZINC001222666945 1095714999 /nfs/dbraw/zinc/71/49/99/1095714999.db2.gz PZYLNEVZSFWSLK-IBGZPJMESA-N 2 2 305.425 3.375 20 30 DGEDLP Cc1cc(C#N)cc(C)c1-c1ccc(C[N@H+]2CC[C@H]([NH3+])C2)cc1 ZINC001222666945 1095715004 /nfs/dbraw/zinc/71/50/04/1095715004.db2.gz PZYLNEVZSFWSLK-IBGZPJMESA-N 2 2 305.425 3.375 20 30 DGEDLP C=CCC[NH2+]CCCC[C@@H](C)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001171526516 1096918757 /nfs/dbraw/zinc/91/87/57/1096918757.db2.gz IIMOGAUHBAUILM-CQSZACIVSA-N 2 2 314.433 3.017 20 30 DGEDLP C[C@H](Cc1ccc(C#N)cc1)N(c1cccc[nH+]1)C1CC[NH2+]CC1 ZINC001172313461 1097097965 /nfs/dbraw/zinc/09/79/65/1097097965.db2.gz XEJAFEDZMXVAOZ-MRXNPFEDSA-N 2 2 320.440 3.143 20 30 DGEDLP COc1ccccc1C1([NH3+])CC[NH+]([C@H](C)CCCC#N)CC1 ZINC001172486840 1097153116 /nfs/dbraw/zinc/15/31/16/1097153116.db2.gz HSCOPPUUNGRNII-OAHLLOKOSA-N 2 2 301.434 3.027 20 30 DGEDLP C[C@H](CCCC#N)[N@@H+]1CC[C@@H]2[C@H](CC[NH+]2Cc2nccs2)C1 ZINC001172500117 1097171831 /nfs/dbraw/zinc/17/18/31/1097171831.db2.gz WYAQEBMZIGBHON-BZUAXINKSA-N 2 2 318.490 3.122 20 30 DGEDLP C[C@H](CCCC#N)[N@H+]1CC[C@@H]2[C@H](CC[NH+]2Cc2nccs2)C1 ZINC001172500117 1097171835 /nfs/dbraw/zinc/17/18/35/1097171835.db2.gz WYAQEBMZIGBHON-BZUAXINKSA-N 2 2 318.490 3.122 20 30 DGEDLP C[C@H](CCCC#N)[NH+]1CC[C@@H]2[C@H](CC[N@@H+]2Cc2nccs2)C1 ZINC001172500117 1097171840 /nfs/dbraw/zinc/17/18/40/1097171840.db2.gz WYAQEBMZIGBHON-BZUAXINKSA-N 2 2 318.490 3.122 20 30 DGEDLP C[C@H](CCCC#N)[NH+]1CC[C@@H]2[C@H](CC[N@H+]2Cc2nccs2)C1 ZINC001172500117 1097171841 /nfs/dbraw/zinc/17/18/41/1097171841.db2.gz WYAQEBMZIGBHON-BZUAXINKSA-N 2 2 318.490 3.122 20 30 DGEDLP C=C(C)CC[NH2+]CCCC[C@@H](C)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001175502450 1098073639 /nfs/dbraw/zinc/07/36/39/1098073639.db2.gz JDSYZLCCCUNIHG-SJORKVTESA-N 2 2 320.481 3.065 20 30 DGEDLP CCCCCCC[NH2+]CCCC[C@@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001175880928 1098185734 /nfs/dbraw/zinc/18/57/34/1098185734.db2.gz IAAVQSYFYXHPAE-MRXNPFEDSA-N 2 2 322.497 3.187 20 30 DGEDLP C=CCC[C@H](C)[NH2+][C@@H](C)CN(C)C(=O)c1c(C)cc(C)[nH+]c1C ZINC001277893700 1098667841 /nfs/dbraw/zinc/66/78/41/1098667841.db2.gz PQLIABNRXCDRIK-HOCLYGCPSA-N 2 2 317.477 3.412 20 30 DGEDLP CCCCCCCCCC[N@@H+]1CC[NH2+]C[C@]2(CCCC(=O)N2)C1 ZINC001235172833 1098854966 /nfs/dbraw/zinc/85/49/66/1098854966.db2.gz BZKMHOZDJYTAPK-LJQANCHMSA-N 2 2 323.525 3.071 20 30 DGEDLP CCCCCCCCCC[N@H+]1CC[NH2+]C[C@]2(CCCC(=O)N2)C1 ZINC001235172833 1098854977 /nfs/dbraw/zinc/85/49/77/1098854977.db2.gz BZKMHOZDJYTAPK-LJQANCHMSA-N 2 2 323.525 3.071 20 30 DGEDLP N#CCCCC[NH+]1CC2(C1)CC[N@@H+](CCCC(F)(F)F)C2 ZINC001277948059 1099059192 /nfs/dbraw/zinc/05/91/92/1099059192.db2.gz DZFOKHAIFDDGJO-UHFFFAOYSA-N 2 2 303.372 3.030 20 30 DGEDLP N#CCCCC[NH+]1CC2(C1)CC[N@H+](CCCC(F)(F)F)C2 ZINC001277948059 1099059204 /nfs/dbraw/zinc/05/92/04/1099059204.db2.gz DZFOKHAIFDDGJO-UHFFFAOYSA-N 2 2 303.372 3.030 20 30 DGEDLP C(#Cc1ccccc1)c1ccc(C[N@@H+]2CCCC3(C[NH2+]C3)C2)s1 ZINC001235711658 1099140003 /nfs/dbraw/zinc/14/00/03/1099140003.db2.gz SRGZASVZWIQHLM-UHFFFAOYSA-N 2 2 322.477 3.333 20 30 DGEDLP C(#Cc1ccccc1)c1ccc(C[N@H+]2CCCC3(C[NH2+]C3)C2)s1 ZINC001235711658 1099140005 /nfs/dbraw/zinc/14/00/05/1099140005.db2.gz SRGZASVZWIQHLM-UHFFFAOYSA-N 2 2 322.477 3.333 20 30 DGEDLP N#Cc1ccc(Oc2ccc(C[N@H+]3C[C@H]4CC[C@@]4([NH3+])C3)cc2)cc1 ZINC001235991441 1099314821 /nfs/dbraw/zinc/31/48/21/1099314821.db2.gz LXBDMMQMJGRYNX-YLJYHZDGSA-N 2 2 319.408 3.274 20 30 DGEDLP N#Cc1ccc(Oc2ccc(C[N@@H+]3C[C@H]4CC[C@@]4([NH3+])C3)cc2)cc1 ZINC001235991441 1099314834 /nfs/dbraw/zinc/31/48/34/1099314834.db2.gz LXBDMMQMJGRYNX-YLJYHZDGSA-N 2 2 319.408 3.274 20 30 DGEDLP C[C@H]([NH3+])C[N@@H+]1CC[C@@H](C(C#N)(c2ccccc2)c2ccccc2)C1 ZINC001236159007 1099437684 /nfs/dbraw/zinc/43/76/84/1099437684.db2.gz SNYXCBYWSURYSW-FXAWDEMLSA-N 2 2 319.452 3.165 20 30 DGEDLP C[C@H]([NH3+])C[N@H+]1CC[C@@H](C(C#N)(c2ccccc2)c2ccccc2)C1 ZINC001236159007 1099437689 /nfs/dbraw/zinc/43/76/89/1099437689.db2.gz SNYXCBYWSURYSW-FXAWDEMLSA-N 2 2 319.452 3.165 20 30 DGEDLP N#Cc1cc(C[N@H+]([C@@H]2CC[NH2+]C2)C2CCCCC2)ccc1F ZINC001236652173 1099722981 /nfs/dbraw/zinc/72/29/81/1099722981.db2.gz LICZEZQZYAKZAT-QGZVFWFLSA-N 2 2 301.409 3.194 20 30 DGEDLP N#Cc1cc(C[N@@H+]([C@@H]2CC[NH2+]C2)C2CCCCC2)ccc1F ZINC001236652173 1099722989 /nfs/dbraw/zinc/72/29/89/1099722989.db2.gz LICZEZQZYAKZAT-QGZVFWFLSA-N 2 2 301.409 3.194 20 30 DGEDLP COc1cc(C[N@H+]([C@H]2CC[NH2+]C2)C2CCCCC2)ccc1C#N ZINC001236664413 1099732938 /nfs/dbraw/zinc/73/29/38/1099732938.db2.gz SNVVMKJABSKBFB-SFHVURJKSA-N 2 2 313.445 3.063 20 30 DGEDLP COc1cc(C[N@@H+]([C@H]2CC[NH2+]C2)C2CCCCC2)ccc1C#N ZINC001236664413 1099732942 /nfs/dbraw/zinc/73/29/42/1099732942.db2.gz SNVVMKJABSKBFB-SFHVURJKSA-N 2 2 313.445 3.063 20 30 DGEDLP CC(C)(C)C[N@H+](Cc1ccc(C#N)cc1O)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236779144 1099779973 /nfs/dbraw/zinc/77/99/73/1099779973.db2.gz FPKWMZWBZHUBSI-QAQDUYKDSA-N 2 2 315.461 3.382 20 30 DGEDLP CC(C)(C)C[N@@H+](Cc1ccc(C#N)cc1O)[C@H]1CC[C@H]([NH3+])CC1 ZINC001236779144 1099779981 /nfs/dbraw/zinc/77/99/81/1099779981.db2.gz FPKWMZWBZHUBSI-QAQDUYKDSA-N 2 2 315.461 3.382 20 30 DGEDLP C=CCOc1ccc(C[N@H+](C2CCC2)[C@H]2CCC[NH2+]C2)cc1 ZINC001237142784 1099992593 /nfs/dbraw/zinc/99/25/93/1099992593.db2.gz BTHFXSAFAGYUTA-SFHVURJKSA-N 2 2 300.446 3.358 20 30 DGEDLP C=CCOc1ccc(C[N@@H+](C2CCC2)[C@H]2CCC[NH2+]C2)cc1 ZINC001237142784 1099992607 /nfs/dbraw/zinc/99/26/07/1099992607.db2.gz BTHFXSAFAGYUTA-SFHVURJKSA-N 2 2 300.446 3.358 20 30 DGEDLP CC(C)[N@H+](Cc1cn(C)c2ccc(C#N)cc12)C1CC[NH+](C)CC1 ZINC001237472210 1100135939 /nfs/dbraw/zinc/13/59/39/1100135939.db2.gz MTRSJAJNIJSALO-UHFFFAOYSA-N 2 2 324.472 3.355 20 30 DGEDLP CC(C)[N@@H+](Cc1cn(C)c2ccc(C#N)cc12)C1CC[NH+](C)CC1 ZINC001237472210 1100135946 /nfs/dbraw/zinc/13/59/46/1100135946.db2.gz MTRSJAJNIJSALO-UHFFFAOYSA-N 2 2 324.472 3.355 20 30 DGEDLP N#Cc1cc(Cl)cc(-c2ccccc2C[N@H+]2CC[C@H]([NH3+])C2)c1 ZINC001242570755 1102217568 /nfs/dbraw/zinc/21/75/68/1102217568.db2.gz UABPSSTZJZTOJL-KRWDZBQOSA-N 2 2 311.816 3.412 20 30 DGEDLP N#Cc1cc(Cl)cc(-c2ccccc2C[N@@H+]2CC[C@H]([NH3+])C2)c1 ZINC001242570755 1102217577 /nfs/dbraw/zinc/21/75/77/1102217577.db2.gz UABPSSTZJZTOJL-KRWDZBQOSA-N 2 2 311.816 3.412 20 30 DGEDLP CCc1cc(-c2ccccc2C[N@@H+]2CC[C@H]([NH3+])C2)ccc1C#N ZINC001244954737 1103778951 /nfs/dbraw/zinc/77/89/51/1103778951.db2.gz CMACMJFGDXHXPG-IBGZPJMESA-N 2 2 305.425 3.321 20 30 DGEDLP CCc1cc(-c2ccccc2C[N@H+]2CC[C@H]([NH3+])C2)ccc1C#N ZINC001244954737 1103778957 /nfs/dbraw/zinc/77/89/57/1103778957.db2.gz CMACMJFGDXHXPG-IBGZPJMESA-N 2 2 305.425 3.321 20 30 DGEDLP C=C(C)CC[NH2+][C@@H](C)CCNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001328375797 1103924910 /nfs/dbraw/zinc/92/49/10/1103924910.db2.gz CTCZNILOFRJPTO-AWEZNQCLSA-N 2 2 303.450 3.071 20 30 DGEDLP C=C1C[C@@H]2CC([NH2+][C@H](C[NH3+])c3cccc(OC)c3)C[C@H](C1)C2 ZINC001246514038 1104571614 /nfs/dbraw/zinc/57/16/14/1104571614.db2.gz ZPJHOVWONCSHKN-WRDFJOEHSA-N 2 2 300.446 3.420 20 30 DGEDLP C[N@@H+]1CCC2(C1)CC[NH+](Cc1c(Cl)cccc1C#N)CC2 ZINC001275005628 1104574399 /nfs/dbraw/zinc/57/43/99/1104574399.db2.gz HTCBBBGJJIJUEQ-UHFFFAOYSA-N 2 2 303.837 3.129 20 30 DGEDLP C[N@H+]1CCC2(C1)CC[NH+](Cc1c(Cl)cccc1C#N)CC2 ZINC001275005628 1104574402 /nfs/dbraw/zinc/57/44/02/1104574402.db2.gz HTCBBBGJJIJUEQ-UHFFFAOYSA-N 2 2 303.837 3.129 20 30 DGEDLP C=CCC[C@H](O)C[NH+]1CCC([N@H+](C)Cc2ccccc2F)CC1 ZINC001252601952 1105799944 /nfs/dbraw/zinc/79/99/44/1105799944.db2.gz HKJYAVXLDODMTE-SFHVURJKSA-N 2 2 320.452 3.049 20 30 DGEDLP C=CCC[C@H](O)C[NH+]1CCC([N@@H+](C)Cc2ccccc2F)CC1 ZINC001252601952 1105799948 /nfs/dbraw/zinc/79/99/48/1105799948.db2.gz HKJYAVXLDODMTE-SFHVURJKSA-N 2 2 320.452 3.049 20 30 DGEDLP N#C[C@H]1CC[C@H]([NH+]2CCC([NH3+])(c3ccc(Cl)cc3)CC2)C1 ZINC001254646555 1106120487 /nfs/dbraw/zinc/12/04/87/1106120487.db2.gz BHVVCCSNDUVCQY-BBRMVZONSA-N 2 2 303.837 3.282 20 30 DGEDLP CC1(C#N)CC[NH+](C2CC[NH+](CCc3ccccc3)CC2)CC1 ZINC001258148016 1106681278 /nfs/dbraw/zinc/68/12/78/1106681278.db2.gz YQMDYZPNAKTAML-UHFFFAOYSA-N 2 2 311.473 3.319 20 30 DGEDLP Cc1cc([NH2+][C@@H](C)CC(C)(C)C#N)ccc1N1CC[NH+](C)CC1 ZINC001262353905 1107685412 /nfs/dbraw/zinc/68/54/12/1107685412.db2.gz QKVZIZKZZDUFOT-INIZCTEOSA-N 2 2 314.477 3.487 20 30 DGEDLP C=CCC[C@H](C)[NH2+][C@H]1C[C@H](NC(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001265488171 1108887473 /nfs/dbraw/zinc/88/74/73/1108887473.db2.gz VKYUJHDARDPCOE-JQFCIGGWSA-N 2 2 315.461 3.212 20 30 DGEDLP C=CC[C@H](C)[N@@H+]1CCC[NH+](Cc2ccccc2)CCOCC1 ZINC001308107846 1111378111 /nfs/dbraw/zinc/37/81/11/1111378111.db2.gz ZDYXEXGXRQCAJY-SFHVURJKSA-N 2 2 302.462 3.176 20 30 DGEDLP C=CC[C@H](C)[N@H+]1CCC[NH+](Cc2ccccc2)CCOCC1 ZINC001308107846 1111378115 /nfs/dbraw/zinc/37/81/15/1111378115.db2.gz ZDYXEXGXRQCAJY-SFHVURJKSA-N 2 2 302.462 3.176 20 30 DGEDLP C=CC[C@H](C)[NH+]1CCC[N@H+](Cc2ccccc2)CCOCC1 ZINC001308107846 1111378119 /nfs/dbraw/zinc/37/81/19/1111378119.db2.gz ZDYXEXGXRQCAJY-SFHVURJKSA-N 2 2 302.462 3.176 20 30 DGEDLP C=CC[C@H](C)[NH+]1CCC[N@@H+](Cc2ccccc2)CCOCC1 ZINC001308107846 1111378122 /nfs/dbraw/zinc/37/81/22/1111378122.db2.gz ZDYXEXGXRQCAJY-SFHVURJKSA-N 2 2 302.462 3.176 20 30 DGEDLP Cn1c[nH+]cc1C1CC[NH+](CC#Cc2cccc(Cl)c2)CC1 ZINC001308167453 1111388691 /nfs/dbraw/zinc/38/86/91/1111388691.db2.gz RFHFBYOIYLVNJG-UHFFFAOYSA-N 2 2 313.832 3.305 20 30 DGEDLP CC[C@@H]([NH2+]C[C@]1([NH+](C)C)CCSC1)c1ccc(C#N)cc1 ZINC000278358990 214113468 /nfs/dbraw/zinc/11/34/68/214113468.db2.gz BHZKNEGOYOWLCE-IAGOWNOFSA-N 2 2 303.475 3.036 20 30 DGEDLP Cc1c[nH+]ccc1OC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000278577716 214249968 /nfs/dbraw/zinc/24/99/68/214249968.db2.gz CUCGZABSUUMASW-UHFFFAOYSA-N 2 2 307.397 3.305 20 30 DGEDLP C=CC[NH+]1CCC([NH2+][C@H]2CCCOc3ccc(OC)cc32)CC1 ZINC000177905347 186202064 /nfs/dbraw/zinc/20/20/64/186202064.db2.gz OECRPLZAJSFZQO-SFHVURJKSA-N 2 2 316.445 3.149 20 30 DGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]C3CCSCC3)CC2)cc1 ZINC000181929545 186220553 /nfs/dbraw/zinc/22/05/53/186220553.db2.gz MDGOBEBACSZICI-UHFFFAOYSA-N 2 2 315.486 3.008 20 30 DGEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)c2ccc(OC)c(OC)c2)CC1 ZINC000173398325 198209914 /nfs/dbraw/zinc/20/99/14/198209914.db2.gz DNFOZVLQTQVHHT-AWEZNQCLSA-N 2 2 304.434 3.005 20 30 DGEDLP C#CCCOc1ccc(C[N@@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)cc1 ZINC000246132867 432098171 /nfs/dbraw/zinc/09/81/71/432098171.db2.gz KXQDDERELDYXHD-FXAWDEMLSA-N 2 2 323.440 3.368 20 30 DGEDLP C#CCCOc1ccc(C[N@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)cc1 ZINC000246132867 432098170 /nfs/dbraw/zinc/09/81/70/432098170.db2.gz KXQDDERELDYXHD-FXAWDEMLSA-N 2 2 323.440 3.368 20 30 DGEDLP C=C(C[NH2+]C1CC[NH+](Cc2ccccn2)CC1)c1ccccc1 ZINC000268825782 432142737 /nfs/dbraw/zinc/14/27/37/432142737.db2.gz NGISDNMWLZSOMD-UHFFFAOYSA-N 2 2 307.441 3.349 20 30 DGEDLP C[C@H](c1ccccc1)[NH+]1CCC([NH2+]C[C@H](C#N)CCC#N)CC1 ZINC000609709230 400187466 /nfs/dbraw/zinc/18/74/66/400187466.db2.gz IIEDVELPKMCIKR-SJORKVTESA-N 2 2 310.445 3.245 20 30 DGEDLP C[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccc(C#N)cc1Cl)C2 ZINC000595503999 400170731 /nfs/dbraw/zinc/17/07/31/400170731.db2.gz CTUDFXPNNMLKSH-KRWDZBQOSA-N 2 2 303.837 3.129 20 30 DGEDLP C[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccc(C#N)cc1Cl)C2 ZINC000595503999 400170739 /nfs/dbraw/zinc/17/07/39/400170739.db2.gz CTUDFXPNNMLKSH-KRWDZBQOSA-N 2 2 303.837 3.129 20 30 DGEDLP C[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ccc(C#N)cc1Cl)C2 ZINC000595503999 400170744 /nfs/dbraw/zinc/17/07/44/400170744.db2.gz CTUDFXPNNMLKSH-KRWDZBQOSA-N 2 2 303.837 3.129 20 30 DGEDLP C[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1ccc(C#N)cc1Cl)C2 ZINC000595503999 400170747 /nfs/dbraw/zinc/17/07/47/400170747.db2.gz CTUDFXPNNMLKSH-KRWDZBQOSA-N 2 2 303.837 3.129 20 30 DGEDLP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccc(C#N)cc1Cl)C2 ZINC000595504000 400171140 /nfs/dbraw/zinc/17/11/40/400171140.db2.gz CTUDFXPNNMLKSH-QGZVFWFLSA-N 2 2 303.837 3.129 20 30 DGEDLP C[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccc(C#N)cc1Cl)C2 ZINC000595504000 400171145 /nfs/dbraw/zinc/17/11/45/400171145.db2.gz CTUDFXPNNMLKSH-QGZVFWFLSA-N 2 2 303.837 3.129 20 30 DGEDLP C[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccc(C#N)cc1Cl)C2 ZINC000595504000 400171147 /nfs/dbraw/zinc/17/11/47/400171147.db2.gz CTUDFXPNNMLKSH-QGZVFWFLSA-N 2 2 303.837 3.129 20 30 DGEDLP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1ccc(C#N)cc1Cl)C2 ZINC000595504000 400171152 /nfs/dbraw/zinc/17/11/52/400171152.db2.gz CTUDFXPNNMLKSH-QGZVFWFLSA-N 2 2 303.837 3.129 20 30 DGEDLP N#CCC[C@H](C#N)C[NH2+]C[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000581044176 400350284 /nfs/dbraw/zinc/35/02/84/400350284.db2.gz UQELNDWFSMTYLQ-WOJBJXKFSA-N 2 2 324.472 3.322 20 30 DGEDLP N#CCC[C@H](C#N)C[NH2+]C[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000581044176 400350286 /nfs/dbraw/zinc/35/02/86/400350286.db2.gz UQELNDWFSMTYLQ-WOJBJXKFSA-N 2 2 324.472 3.322 20 30 DGEDLP C[C@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)c1cccc(C#N)c1 ZINC000596650267 400472054 /nfs/dbraw/zinc/47/20/54/400472054.db2.gz NOETXHQWVAMNHM-VHKYSDTDSA-N 2 2 323.415 3.494 20 30 DGEDLP Cc1cc[nH+]c(NCc2c[nH+]c3ccc(C#N)cn23)c1C1CC1 ZINC000597190294 400581306 /nfs/dbraw/zinc/58/13/06/400581306.db2.gz BGWORUAIRWEJRM-UHFFFAOYSA-N 2 2 303.369 3.399 20 30 DGEDLP N#CC1(c2ccc(C[N@H+]3CC[C@@H](Oc4cc[nH+]cc4)C3)cc2)CC1 ZINC000597117865 400562686 /nfs/dbraw/zinc/56/26/86/400562686.db2.gz YALUHLXJDSIWBV-LJQANCHMSA-N 2 2 319.408 3.290 20 30 DGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@@H]3CCC[C@H](F)C3)CC2)cc1 ZINC000592369282 400639823 /nfs/dbraw/zinc/63/98/23/400639823.db2.gz HXFKKLHUCFMHDR-PKOBYXMFSA-N 2 2 315.436 3.393 20 30 DGEDLP CC(C)(CCC#N)C[NH2+]C1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593692312 400892584 /nfs/dbraw/zinc/89/25/84/400892584.db2.gz AUTQISYMKROXOD-UHFFFAOYSA-N 2 2 324.472 3.442 20 30 DGEDLP C[C@@H]1CC[N@H+](CCCOc2ccc(C#N)cc2)C[C@H]1n1cc[nH+]c1 ZINC000246995477 432188835 /nfs/dbraw/zinc/18/88/35/432188835.db2.gz CXZGNWAIXYKDML-VQIMIIECSA-N 2 2 324.428 3.107 20 30 DGEDLP C[C@@H]1CC[N@@H+](CCCOc2ccc(C#N)cc2)C[C@H]1n1cc[nH+]c1 ZINC000246995477 432188838 /nfs/dbraw/zinc/18/88/38/432188838.db2.gz CXZGNWAIXYKDML-VQIMIIECSA-N 2 2 324.428 3.107 20 30 DGEDLP N#C[C@H]1CCC[C@H]([NH2+]C2CC[NH+](Cc3ccc(F)cc3)CC2)C1 ZINC000185786961 228396862 /nfs/dbraw/zinc/39/68/62/228396862.db2.gz SBOZLVJPEAISLY-LPHOPBHVSA-N 2 2 315.436 3.462 20 30 DGEDLP C[C@@H]1[C@@H]([NH2+]Cc2ccc(C#N)c(F)c2)CC[N@@H+]1Cc1ccccc1 ZINC000404042969 267105966 /nfs/dbraw/zinc/10/59/66/267105966.db2.gz ICOUZMRAMFBPRN-QRWLVFNGSA-N 2 2 323.415 3.450 20 30 DGEDLP C[C@@H]1[C@@H]([NH2+]Cc2ccc(C#N)c(F)c2)CC[N@H+]1Cc1ccccc1 ZINC000404042969 267105967 /nfs/dbraw/zinc/10/59/67/267105967.db2.gz ICOUZMRAMFBPRN-QRWLVFNGSA-N 2 2 323.415 3.450 20 30 DGEDLP C=CCOc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)CC)C2)cc1OC ZINC000093770381 431916872 /nfs/dbraw/zinc/91/68/72/431916872.db2.gz JMDBCMYRHRQUIC-KRWDZBQOSA-N 2 2 318.461 3.034 20 30 DGEDLP C=CCOc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)CC)C2)cc1OC ZINC000093770381 431916873 /nfs/dbraw/zinc/91/68/73/431916873.db2.gz JMDBCMYRHRQUIC-KRWDZBQOSA-N 2 2 318.461 3.034 20 30 DGEDLP C=CCOc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)CC)C2)cc1OC ZINC000093770381 431916875 /nfs/dbraw/zinc/91/68/75/431916875.db2.gz JMDBCMYRHRQUIC-KRWDZBQOSA-N 2 2 318.461 3.034 20 30 DGEDLP C=CCOc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)CC)C2)cc1OC ZINC000093770381 431916876 /nfs/dbraw/zinc/91/68/76/431916876.db2.gz JMDBCMYRHRQUIC-KRWDZBQOSA-N 2 2 318.461 3.034 20 30 DGEDLP N#Cc1ccc(C[NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)cc1 ZINC000048711523 431931695 /nfs/dbraw/zinc/93/16/95/431931695.db2.gz NMIMWWXUMVVAFI-UHFFFAOYSA-N 2 2 302.381 3.093 20 30 DGEDLP CC(C)c1cccc(NC(=[NH2+])NCc2cn3c([nH+]2)CCCC3)c1 ZINC000261966556 432465282 /nfs/dbraw/zinc/46/52/82/432465282.db2.gz BJVRBFIXIFWBCT-UHFFFAOYSA-N 2 2 311.433 3.270 20 30 DGEDLP CCc1cccc(NC(=[NH2+])NCCCc2[nH]c3ccccc3[nH+]2)c1 ZINC000264111898 432615785 /nfs/dbraw/zinc/61/57/85/432615785.db2.gz RGNCZGNJALATSL-UHFFFAOYSA-N 2 2 321.428 3.485 20 30 DGEDLP CC[N@H+](C)C[C@H]1CC[NH+](CC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000177356163 432616089 /nfs/dbraw/zinc/61/60/89/432616089.db2.gz GSCVOJUINMEZEM-MRXNPFEDSA-N 2 2 324.390 3.331 20 30 DGEDLP CC[N@@H+](C)C[C@H]1CC[NH+](CC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000177356163 432616092 /nfs/dbraw/zinc/61/60/92/432616092.db2.gz GSCVOJUINMEZEM-MRXNPFEDSA-N 2 2 324.390 3.331 20 30 DGEDLP CC[NH+](C)C[C@H]1CC[N@H+](CC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000177356163 432616094 /nfs/dbraw/zinc/61/60/94/432616094.db2.gz GSCVOJUINMEZEM-MRXNPFEDSA-N 2 2 324.390 3.331 20 30 DGEDLP CC[NH+](C)C[C@H]1CC[N@@H+](CC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000177356163 432616098 /nfs/dbraw/zinc/61/60/98/432616098.db2.gz GSCVOJUINMEZEM-MRXNPFEDSA-N 2 2 324.390 3.331 20 30 DGEDLP N#Cc1csc(C[NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)c1 ZINC000177690377 432651166 /nfs/dbraw/zinc/65/11/66/432651166.db2.gz FYKALKVNIWNUTF-UHFFFAOYSA-N 2 2 312.373 3.234 20 30 DGEDLP Cn1c(CCC[NH2+]Cc2cc(C#N)cs2)[nH+]c2ccccc21 ZINC000177704012 432652269 /nfs/dbraw/zinc/65/22/69/432652269.db2.gz ZEMSJOMFPLBIRW-UHFFFAOYSA-N 2 2 310.426 3.229 20 30 DGEDLP C[C@H](c1ccccn1)[NH+](C)CC#CC[N@@H+](C)[C@H](C)c1ccccn1 ZINC000276312416 432795891 /nfs/dbraw/zinc/79/58/91/432795891.db2.gz MPMHVYGQWYNNES-QZTJIDSGSA-N 2 2 322.456 3.166 20 30 DGEDLP C[C@H](c1ccccn1)[NH+](C)CC#CC[N@H+](C)[C@H](C)c1ccccn1 ZINC000276312416 432795896 /nfs/dbraw/zinc/79/58/96/432795896.db2.gz MPMHVYGQWYNNES-QZTJIDSGSA-N 2 2 322.456 3.166 20 30 DGEDLP C(#CC[N@@H+]1CCC[C@@H]1c1ccc[nH]1)C[NH+]1CCC[C@@H]1c1ccc[nH]1 ZINC000276364844 432801513 /nfs/dbraw/zinc/80/15/13/432801513.db2.gz ZSERYZCGDGWQRH-WOJBJXKFSA-N 2 2 322.456 3.320 20 30 DGEDLP C(#CC[N@H+]1CCC[C@@H]1c1ccc[nH]1)C[NH+]1CCC[C@@H]1c1ccc[nH]1 ZINC000276364844 432801515 /nfs/dbraw/zinc/80/15/15/432801515.db2.gz ZSERYZCGDGWQRH-WOJBJXKFSA-N 2 2 322.456 3.320 20 30 DGEDLP CC[C@@H]([NH2+]C[C@@]1([NH+](C)C)CCSC1)c1ccc(C#N)cc1 ZINC000278359001 432892460 /nfs/dbraw/zinc/89/24/60/432892460.db2.gz BHZKNEGOYOWLCE-SJORKVTESA-N 2 2 303.475 3.036 20 30 DGEDLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@H]1CC[C@H](C#N)C1 ZINC000278535418 432897053 /nfs/dbraw/zinc/89/70/53/432897053.db2.gz FOBABAQWKFEWED-ROUUACIJSA-N 2 2 312.461 3.312 20 30 DGEDLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@H]1CC[C@H](C#N)C1 ZINC000278535418 432897055 /nfs/dbraw/zinc/89/70/55/432897055.db2.gz FOBABAQWKFEWED-ROUUACIJSA-N 2 2 312.461 3.312 20 30 DGEDLP N#Cc1cccc(CC[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)c1 ZINC000341468919 433076016 /nfs/dbraw/zinc/07/60/16/433076016.db2.gz AGCVLBFUTMQGPX-UHFFFAOYSA-N 2 2 308.410 3.138 20 30 DGEDLP Cc1cc(NCC(C)(C)[NH2+][C@H](C)c2ccccc2)c(C#N)c[nH+]1 ZINC000425232856 433127069 /nfs/dbraw/zinc/12/70/69/433127069.db2.gz WDRZUGDNENHHQD-OAHLLOKOSA-N 2 2 308.429 3.225 20 30 DGEDLP Cc1cc(N2CCC(CCC[NH+]3CCCC3)CC2)c(C#N)c[nH+]1 ZINC000425248077 433134731 /nfs/dbraw/zinc/13/47/31/433134731.db2.gz QFUTZJUMNZTZGM-UHFFFAOYSA-N 2 2 312.461 3.354 20 30 DGEDLP C=C[C@@H]1CCCC[NH+]1Cc1nc2c(s1)C[N@H+](C(C)C)CC2 ZINC000426564051 433531255 /nfs/dbraw/zinc/53/12/55/433531255.db2.gz AMZKHOOBJFFKCA-CQSZACIVSA-N 2 2 305.491 3.450 20 30 DGEDLP C=C[C@@H]1CCCC[NH+]1Cc1nc2c(s1)C[N@@H+](C(C)C)CC2 ZINC000426564051 433531264 /nfs/dbraw/zinc/53/12/64/433531264.db2.gz AMZKHOOBJFFKCA-CQSZACIVSA-N 2 2 305.491 3.450 20 30 DGEDLP C=C[C@@H]1CCCC[N@H+]1Cc1nc2c(s1)C[NH+](C(C)C)CC2 ZINC000426564051 433531274 /nfs/dbraw/zinc/53/12/74/433531274.db2.gz AMZKHOOBJFFKCA-CQSZACIVSA-N 2 2 305.491 3.450 20 30 DGEDLP C=C[C@@H]1CCCC[N@@H+]1Cc1nc2c(s1)C[NH+](C(C)C)CC2 ZINC000426564051 433531285 /nfs/dbraw/zinc/53/12/85/433531285.db2.gz AMZKHOOBJFFKCA-CQSZACIVSA-N 2 2 305.491 3.450 20 30 DGEDLP COc1cc(C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)ccc1C#N ZINC000282215833 433532262 /nfs/dbraw/zinc/53/22/62/433532262.db2.gz HOXQDSBMDZRTDV-GOSISDBHSA-N 2 2 313.445 3.017 20 30 DGEDLP COc1cc(C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)ccc1C#N ZINC000282215833 433532269 /nfs/dbraw/zinc/53/22/69/433532269.db2.gz HOXQDSBMDZRTDV-GOSISDBHSA-N 2 2 313.445 3.017 20 30 DGEDLP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+]CC1CCC(C#N)CC1 ZINC000282525829 433613517 /nfs/dbraw/zinc/61/35/17/433613517.db2.gz YPQFCKYUPSPSKZ-USWSCHJFSA-N 2 2 311.473 3.426 20 30 DGEDLP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+]CC1CCC(C#N)CC1 ZINC000282525829 433613520 /nfs/dbraw/zinc/61/35/20/433613520.db2.gz YPQFCKYUPSPSKZ-USWSCHJFSA-N 2 2 311.473 3.426 20 30 DGEDLP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000436294191 433928008 /nfs/dbraw/zinc/92/80/08/433928008.db2.gz FTMUCFSTSOLKPE-AABGKKOBSA-N 2 2 314.473 3.222 20 30 DGEDLP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000436294191 433928020 /nfs/dbraw/zinc/92/80/20/433928020.db2.gz FTMUCFSTSOLKPE-AABGKKOBSA-N 2 2 314.473 3.222 20 30 DGEDLP CCc1cccc(NC(=[NH2+])NCc2ccccc2-n2cc[nH+]c2)c1 ZINC000303905101 433972250 /nfs/dbraw/zinc/97/22/50/433972250.db2.gz ZEJUZPXKZOQDPD-UHFFFAOYSA-N 2 2 319.412 3.362 20 30 DGEDLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@H]1CCc3ccc(C#N)cc31)CCC2 ZINC000353255804 434070354 /nfs/dbraw/zinc/07/03/54/434070354.db2.gz OGBQKVLJYRKFAM-AEFFLSMTSA-N 2 2 306.413 3.218 20 30 DGEDLP C=CCC[C@@H]([NH2+]C1CC[NH+](CCCOC)CC1)c1ccco1 ZINC000286160059 434184850 /nfs/dbraw/zinc/18/48/50/434184850.db2.gz PVHZOWLLQKIULX-QGZVFWFLSA-N 2 2 306.450 3.377 20 30 DGEDLP O=C(C[NH+]1CCC(c2[nH]cc[nH+]2)CC1)NC1CCCCCC1 ZINC000329757317 434476616 /nfs/dbraw/zinc/47/66/16/434476616.db2.gz MVDRSXKDFWLRNA-UHFFFAOYSA-N 2 2 304.438 3.268 20 30 DGEDLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](CCCCC(C)(C)C#N)C1 ZINC000369000927 434583990 /nfs/dbraw/zinc/58/39/90/434583990.db2.gz KCSMUYJYKBJEHD-MRXNPFEDSA-N 2 2 302.466 3.395 20 30 DGEDLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](CCCCC(C)(C)C#N)C1 ZINC000369000927 434583998 /nfs/dbraw/zinc/58/39/98/434583998.db2.gz KCSMUYJYKBJEHD-MRXNPFEDSA-N 2 2 302.466 3.395 20 30 DGEDLP N#CC1(C[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)CCC1 ZINC000418140754 434601036 /nfs/dbraw/zinc/60/10/36/434601036.db2.gz KCHBCDQWMVTCKX-UHFFFAOYSA-N 2 2 315.436 3.116 20 30 DGEDLP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2ccc(C#N)cc2Cl)C1 ZINC000439430263 434603452 /nfs/dbraw/zinc/60/34/52/434603452.db2.gz IAVKXEYLXLKSIC-INIZCTEOSA-N 2 2 317.864 3.375 20 30 DGEDLP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2ccc(C#N)cc2Cl)C1 ZINC000439430263 434603457 /nfs/dbraw/zinc/60/34/57/434603457.db2.gz IAVKXEYLXLKSIC-INIZCTEOSA-N 2 2 317.864 3.375 20 30 DGEDLP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2Cl)C1 ZINC000439430263 434603461 /nfs/dbraw/zinc/60/34/61/434603461.db2.gz IAVKXEYLXLKSIC-INIZCTEOSA-N 2 2 317.864 3.375 20 30 DGEDLP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2Cl)C1 ZINC000439430263 434603467 /nfs/dbraw/zinc/60/34/67/434603467.db2.gz IAVKXEYLXLKSIC-INIZCTEOSA-N 2 2 317.864 3.375 20 30 DGEDLP C=CC[NH+]1CCC(Nc2[nH+]cnc3[nH]c4ccccc4c32)CC1 ZINC000562531037 435260309 /nfs/dbraw/zinc/26/03/09/435260309.db2.gz CKNIEMLKSSYSIC-UHFFFAOYSA-N 2 2 307.401 3.173 20 30 DGEDLP COc1ccc(C#N)cc1C[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000536369684 435378034 /nfs/dbraw/zinc/37/80/34/435378034.db2.gz UPKRPKLIRSAFGP-UHFFFAOYSA-N 2 2 322.412 3.038 20 30 DGEDLP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](Cc2ccc(C#N)cn2)C1 ZINC000516702096 435547313 /nfs/dbraw/zinc/54/73/13/435547313.db2.gz KUUXISYJOHSTHO-AEFFLSMTSA-N 2 2 312.461 3.040 20 30 DGEDLP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](Cc2ccc(C#N)cn2)C1 ZINC000516702096 435547316 /nfs/dbraw/zinc/54/73/16/435547316.db2.gz KUUXISYJOHSTHO-AEFFLSMTSA-N 2 2 312.461 3.040 20 30 DGEDLP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](Cc2ccc(C#N)cn2)C1 ZINC000516702096 435547317 /nfs/dbraw/zinc/54/73/17/435547317.db2.gz KUUXISYJOHSTHO-AEFFLSMTSA-N 2 2 312.461 3.040 20 30 DGEDLP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](Cc2ccc(C#N)cn2)C1 ZINC000516702096 435547320 /nfs/dbraw/zinc/54/73/20/435547320.db2.gz KUUXISYJOHSTHO-AEFFLSMTSA-N 2 2 312.461 3.040 20 30 DGEDLP N#CCCC1CC[NH+](Cc2cc(-n3cc[nH+]c3)cs2)CC1 ZINC000570214226 435598689 /nfs/dbraw/zinc/59/86/89/435598689.db2.gz HURYKVUCWOPNJA-UHFFFAOYSA-N 2 2 300.431 3.450 20 30 DGEDLP C=CCOc1ccc(C[NH2+][C@@H]2CC[NH2+]C23CCCC3)cc1OC ZINC000647554330 436085864 /nfs/dbraw/zinc/08/58/64/436085864.db2.gz WVROTUQMDGSNFI-GOSISDBHSA-N 2 2 316.445 3.024 20 30 DGEDLP C=CC[C@]1(C(=O)Nc2ccc3c(c2)[nH+]c(C2CC2)n3C)CCC[NH2+]1 ZINC000662797140 436387948 /nfs/dbraw/zinc/38/79/48/436387948.db2.gz WFHDVKKNZVDYAE-LJQANCHMSA-N 2 2 324.428 3.088 20 30 DGEDLP Cc1c[nH+]ccc1CCNC(=[NH2+])Nc1cccc2c1CCCC2 ZINC000269958996 334005710 /nfs/dbraw/zinc/00/57/10/334005710.db2.gz LDMCMKCZUWUKDI-UHFFFAOYSA-N 2 2 308.429 3.238 20 30 DGEDLP C=CCOc1ccc(C[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)cc1Cl ZINC000352534598 336223014 /nfs/dbraw/zinc/22/30/14/336223014.db2.gz IIPPVIMMJOHAHJ-SFHVURJKSA-N 2 2 320.864 3.480 20 30 DGEDLP C=CCOc1ccc(C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)cc1Cl ZINC000352534598 336223015 /nfs/dbraw/zinc/22/30/15/336223015.db2.gz IIPPVIMMJOHAHJ-SFHVURJKSA-N 2 2 320.864 3.480 20 30 DGEDLP C=CC[NH+]1CCC([NH2+][C@@H](c2ccccc2)c2ccccn2)CC1 ZINC000180489024 526452349 /nfs/dbraw/zinc/45/23/49/526452349.db2.gz NQVHHWCJOXTJMM-FQEVSTJZSA-N 2 2 307.441 3.411 20 30 DGEDLP C=CC[NH+]1CCC([NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)CC1 ZINC000177908721 526454830 /nfs/dbraw/zinc/45/48/30/526454830.db2.gz IZPLGNWUCLWEKB-CQSZACIVSA-N 2 2 303.406 3.204 20 30 DGEDLP C=CCC[C@H]([NH2+]CCC[NH+]1C[C@H](C)O[C@@H](C)C1)c1ccco1 ZINC000353456736 527484247 /nfs/dbraw/zinc/48/42/47/527484247.db2.gz WTJUXVNAKYOFSN-ULQDDVLXSA-N 2 2 306.450 3.376 20 30 DGEDLP C=CCC[C@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)[C@@]1(C)CCCCO1 ZINC000902993718 619700811 /nfs/dbraw/zinc/70/08/11/619700811.db2.gz WTWSCKXMEFIDMR-FHLIZLRMSA-N 2 2 303.450 3.151 20 30 DGEDLP CC[NH+]1CCC(CC[NH2+][C@@H](C)c2cccc(C#N)c2O)CC1 ZINC000866273085 622082351 /nfs/dbraw/zinc/08/23/51/622082351.db2.gz CPQUYCOJWWUUPZ-AWEZNQCLSA-N 2 2 301.434 3.036 20 30 DGEDLP C[NH+](C)c1ccc(N2CCC([NH2+][C@H]3CC[C@H](C#N)C3)CC2)cc1 ZINC000770005044 622589681 /nfs/dbraw/zinc/58/96/81/622589681.db2.gz RNTZKXASZYTZDQ-RDJZCZTQSA-N 2 2 312.461 3.003 20 30 DGEDLP Cc1cccc(N[NH+]=Cc2ccc(N3CC[NH+](C)CC3)cc2)c1 ZINC000771552375 622775545 /nfs/dbraw/zinc/77/55/45/622775545.db2.gz FUDGEVVJFWIHJG-UHFFFAOYSA-N 2 2 308.429 3.193 20 30 DGEDLP CCOc1ccc(/C=[NH+]/CC2CC[NH+](C3CC3)CC2)c(O)c1 ZINC000772156202 622857718 /nfs/dbraw/zinc/85/77/18/622857718.db2.gz XJTPRYORTNYJJU-CPNJWEJPSA-N 2 2 302.418 3.084 20 30 DGEDLP C[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+]Cc2ccc(C#N)cn2)CC1 ZINC000783300114 624335810 /nfs/dbraw/zinc/33/58/10/624335810.db2.gz IGOOLLMFKCMSGS-HNAYVOBHSA-N 2 2 312.461 3.086 20 30 DGEDLP CC1([NH+]2CCCC2)CC[NH+](Cc2ccc(OCC#N)cc2)CC1 ZINC000879201278 624449738 /nfs/dbraw/zinc/44/97/38/624449738.db2.gz CZLAKGVYXBUWHO-UHFFFAOYSA-N 2 2 313.445 3.039 20 30 DGEDLP C=CCC[C@@H](COc1ccccc1)[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000883223308 626614511 /nfs/dbraw/zinc/61/45/11/626614511.db2.gz MPKAVIWFFLVRQL-HOTGVXAUSA-N 2 2 311.429 3.270 20 30 DGEDLP C#Cc1ccc(C[NH2+][C@@H](Cc2[nH+]ccn2C)c2ccccc2)cc1 ZINC000809622524 626927652 /nfs/dbraw/zinc/92/76/52/626927652.db2.gz IZPNUNJXVALOOY-FQEVSTJZSA-N 2 2 315.420 3.475 20 30 DGEDLP C#Cc1ccc(C[NH2+][C@H](Cc2[nH+]ccn2C)c2ccccc2)cc1 ZINC000809622525 626927819 /nfs/dbraw/zinc/92/78/19/626927819.db2.gz IZPNUNJXVALOOY-HXUWFJFHSA-N 2 2 315.420 3.475 20 30 DGEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2ccccc2OCC(F)F)CC1 ZINC000885972531 627073491 /nfs/dbraw/zinc/07/34/91/627073491.db2.gz FGGUPSHQNILLBR-UHFFFAOYSA-N 2 2 324.415 3.461 20 30 DGEDLP CC[C@H]([NH2+]C[C@H](C)Cn1cc[nH+]c1C)c1cccc(C#N)c1O ZINC000924949162 627696377 /nfs/dbraw/zinc/69/63/77/627696377.db2.gz FYTZLTRSJVWINO-GUYCJALGSA-N 2 2 312.417 3.146 20 30 DGEDLP C=C(C)C[NH+]1CCC([NH2+][C@H](C)c2ccnn2CC2CCC2)CC1 ZINC000924988257 627699625 /nfs/dbraw/zinc/69/96/25/627699625.db2.gz RNKOMHSETBGCMU-MRXNPFEDSA-N 2 2 316.493 3.374 20 30 DGEDLP CC[C@H]([NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1)c1cccc(C#N)c1O ZINC000925219094 627719843 /nfs/dbraw/zinc/71/98/43/627719843.db2.gz BOQONAMURTWDGF-VYDXJSESSA-N 2 2 301.434 3.177 20 30 DGEDLP Cc1ccc(C[NH2+]C2CCN(c3cccc[nH+]3)CC2)cc1C#N ZINC000926967227 627990649 /nfs/dbraw/zinc/99/06/49/627990649.db2.gz QTEBDAYHUKAWPO-UHFFFAOYSA-N 2 2 306.413 3.020 20 30 DGEDLP C=CCCC[N@@H+](CC)CCC[NH+]1CCN(c2ccccc2)CC1 ZINC001620646711 1192057440 /nfs/dbraw/zinc/05/74/40/1192057440.db2.gz MFMLEWQGONCNRJ-UHFFFAOYSA-N 2 2 315.505 3.487 20 30 DGEDLP C=CCCC[N@H+](CC)CCC[NH+]1CCN(c2ccccc2)CC1 ZINC001620646711 1192057441 /nfs/dbraw/zinc/05/74/41/1192057441.db2.gz MFMLEWQGONCNRJ-UHFFFAOYSA-N 2 2 315.505 3.487 20 30 DGEDLP N#CC1(c2ccccc2)CC([NH2+]C[C@@H]2CC[N@@H+]2C2CCCC2)C1 ZINC001331534155 1178238062 /nfs/dbraw/zinc/23/80/62/1178238062.db2.gz SYTLDEPQWHVLEE-SYYJFZTOSA-N 2 2 309.457 3.217 20 30 DGEDLP N#CC1(c2ccccc2)CC([NH2+]C[C@@H]2CC[N@H+]2C2CCCC2)C1 ZINC001331534155 1178238067 /nfs/dbraw/zinc/23/80/67/1178238067.db2.gz SYTLDEPQWHVLEE-SYYJFZTOSA-N 2 2 309.457 3.217 20 30 DGEDLP C=CCC[NH2+][C@@H]1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)C[C@H]1C ZINC001496350405 1185172639 /nfs/dbraw/zinc/17/26/39/1185172639.db2.gz IWUXZDWTNTYWQN-RHSMWYFYSA-N 2 2 315.461 3.023 20 30 DGEDLP C=C(C)C[NH2+][C@H](CCNC(=O)c1c(C)cc(C)[nH+]c1C)C(C)C ZINC001506988551 1186334756 /nfs/dbraw/zinc/33/47/56/1186334756.db2.gz OCKKIQSGQUXALG-QGZVFWFLSA-N 2 2 317.477 3.317 20 30 DGEDLP C=CCC[C@@H](C)[NH2+]CCCN(C)C(=O)c1c(C)cc(C)[nH+]c1C ZINC001569224393 1190654028 /nfs/dbraw/zinc/65/40/28/1190654028.db2.gz LFUQHGONBSEWKF-OAHLLOKOSA-N 2 2 317.477 3.413 20 30 DGEDLP C[C@H](C[NH+]1CCC(C)CC1)[NH2+]C1CC(C#N)(c2ccccc2)C1 ZINC001658550724 1196273086 /nfs/dbraw/zinc/27/30/86/1196273086.db2.gz YDXSPWIGYCGDQG-QHGAOEGBSA-N 2 2 311.473 3.320 20 30 DGEDLP Cc1ccc(NC(=[NH2+])NC[C@H](c2cccc(F)c2)[NH+](C)C)cc1 ZINC000104155325 1199517087 /nfs/dbraw/zinc/51/70/87/1199517087.db2.gz HHFFWBSNBSQJOL-QGZVFWFLSA-N 2 2 314.408 3.164 20 30 DGEDLP C=CCC[C@@H](C)[NH2+]C[C@H](C)N(C)C(=O)c1c(C)cc(C)[nH+]c1C ZINC001753704148 1202316927 /nfs/dbraw/zinc/31/69/27/1202316927.db2.gz WAUOBDVCCDWYJT-ZBFHGGJFSA-N 2 2 317.477 3.412 20 30 DGEDLP C=C(C)C[NH2+]C[C@@H]1CC[C@H](NC(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001700901798 1202367800 /nfs/dbraw/zinc/36/78/00/1202367800.db2.gz QUJRJGLBWMOCDA-SJORKVTESA-N 2 2 315.461 3.071 20 30 DGEDLP C=CCC[N@@H+](C)C[C@@H]1CCCN1C(=O)c1c(C)cc(C)[nH+]c1C ZINC001725040436 1204084237 /nfs/dbraw/zinc/08/42/37/1204084237.db2.gz GDTBTWIDRDOJFT-KRWDZBQOSA-N 2 2 315.461 3.119 20 30 DGEDLP C=CCC[N@H+](C)C[C@@H]1CCCN1C(=O)c1c(C)cc(C)[nH+]c1C ZINC001725040436 1204084238 /nfs/dbraw/zinc/08/42/38/1204084238.db2.gz GDTBTWIDRDOJFT-KRWDZBQOSA-N 2 2 315.461 3.119 20 30 DGEDLP C=CC[NH+]1CCN(c2[nH+]c(N3CCCC3)cc3ccccc32)CC1 ZINC001165032494 721871220 /nfs/dbraw/zinc/87/12/20/721871220.db2.gz VOXHXOIEDFQBFV-UHFFFAOYSA-N 2 2 322.456 3.143 20 30 DGEDLP CN(c1ccc(C#N)cc1)c1ccc(C[N@@H+]2CCC[NH2+]CC2)cc1 ZINC001204660588 1084002364 /nfs/dbraw/zinc/00/23/64/1084002364.db2.gz DGKSRKIPQFMXQY-UHFFFAOYSA-N 2 2 320.440 3.121 20 30 DGEDLP CN(c1ccc(C#N)cc1)c1ccc(C[N@H+]2CCC[NH2+]CC2)cc1 ZINC001204660588 1084002374 /nfs/dbraw/zinc/00/23/74/1084002374.db2.gz DGKSRKIPQFMXQY-UHFFFAOYSA-N 2 2 320.440 3.121 20 30 DGEDLP C=CCCC[NH2+][C@H](CNC(=O)c1c(C)cc(C)[nH+]c1C)C(C)C ZINC001268219071 1084346129 /nfs/dbraw/zinc/34/61/29/1084346129.db2.gz HGNCNBMOLGCKKO-QGZVFWFLSA-N 2 2 317.477 3.317 20 30 DGEDLP C=CC[NH2+][C@H]1CCCCCN(C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001088349881 1086845747 /nfs/dbraw/zinc/84/57/47/1086845747.db2.gz HFTWNIFRTVWSTR-KRWDZBQOSA-N 2 2 315.461 3.167 20 30 DGEDLP N#Cc1c[nH]c2cc[nH+]c(NCC3CC[NH+](CC4CCC4)CC3)c12 ZINC001161234516 1089164413 /nfs/dbraw/zinc/16/44/13/1089164413.db2.gz RRQVNHKVLIMIDP-UHFFFAOYSA-N 2 2 323.444 3.359 20 30 DGEDLP C=C(C)CC[NH2+]CC[C@@H](C)NC(=O)c1c(C)cc(C)[nH+]c1C ZINC001272920301 1090684413 /nfs/dbraw/zinc/68/44/13/1090684413.db2.gz JPRXOSQQCZSGFT-CQSZACIVSA-N 2 2 303.450 3.071 20 30 DGEDLP N#Cc1cccc(C[NH+]2CCC3(CCC[N@@H+]3CC3CC3)CC2)c1 ZINC001203758233 1090797600 /nfs/dbraw/zinc/79/76/00/1090797600.db2.gz UTCAWUGEPGLXRU-UHFFFAOYSA-N 2 2 309.457 3.399 20 30 DGEDLP N#Cc1cccc(C[NH+]2CCC3(CCC[N@H+]3CC3CC3)CC2)c1 ZINC001203758233 1090797604 /nfs/dbraw/zinc/79/76/04/1090797604.db2.gz UTCAWUGEPGLXRU-UHFFFAOYSA-N 2 2 309.457 3.399 20 30 DGEDLP CC(C)(C)C[NH+]1CCC(Nc2[nH+]ccc3[nH]cc(C#N)c32)CC1 ZINC001161208730 1092074560 /nfs/dbraw/zinc/07/45/60/1092074560.db2.gz JBBPSTIKNPMJNY-UHFFFAOYSA-N 2 2 311.433 3.357 20 30 DGEDLP C=CCCCCC[C@H]([NH3+])C(=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC001218812412 1094874563 /nfs/dbraw/zinc/87/45/63/1094874563.db2.gz SISSLPYTHQGVEH-KRWDZBQOSA-N 2 2 312.417 3.275 20 30 DGEDLP N#Cc1ccc(C[N@@H+]2CCCC[C@]3(CCCC[NH2+]C3)C2)c(F)c1 ZINC001222167246 1095472750 /nfs/dbraw/zinc/47/27/50/1095472750.db2.gz IWOCXOBKUIWIQV-IBGZPJMESA-N 2 2 315.436 3.443 20 30 DGEDLP N#Cc1ccc(C[N@H+]2CCCC[C@]3(CCCC[NH2+]C3)C2)c(F)c1 ZINC001222167246 1095472754 /nfs/dbraw/zinc/47/27/54/1095472754.db2.gz IWOCXOBKUIWIQV-IBGZPJMESA-N 2 2 315.436 3.443 20 30 DGEDLP Cc1[nH+]cn([C@@H](C)Cc2cccc(C#N)c2)c1CSCC[NH3+] ZINC001171184145 1095663647 /nfs/dbraw/zinc/66/36/47/1095663647.db2.gz KJFPVAHHXUZYJE-ZDUSSCGKSA-N 2 2 314.458 3.059 20 30 DGEDLP C=CCC[NH2+]CCCC[C@H](C)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001171526515 1096918582 /nfs/dbraw/zinc/91/85/82/1096918582.db2.gz IIMOGAUHBAUILM-AWEZNQCLSA-N 2 2 314.433 3.017 20 30 DGEDLP C[C@H](Cc1ccc(C#N)cc1)[NH+]1CCC(Oc2cc[nH+]cc2)CC1 ZINC001172308902 1097096923 /nfs/dbraw/zinc/09/69/23/1097096923.db2.gz AQMUMVHXOKXTEF-MRXNPFEDSA-N 2 2 321.424 3.428 20 30 DGEDLP COc1ccc(C[NH+]2CCC([NH2+][C@@H](C)CCCC#N)CC2)cc1 ZINC001172482044 1097150471 /nfs/dbraw/zinc/15/04/71/1097150471.db2.gz ZVWFTHWWMQCFGK-INIZCTEOSA-N 2 2 315.461 3.332 20 30 DGEDLP CC(C)[N@H+](C)Cc1cnc2n1CC[NH+]([C@@H](C)CCCC#N)[C@H]2C ZINC001172495693 1097169691 /nfs/dbraw/zinc/16/96/91/1097169691.db2.gz TTYXMAYEFMCVEH-HOTGVXAUSA-N 2 2 317.481 3.182 20 30 DGEDLP CC(C)[N@@H+](C)Cc1cnc2n1CC[NH+]([C@@H](C)CCCC#N)[C@H]2C ZINC001172495693 1097169695 /nfs/dbraw/zinc/16/96/95/1097169695.db2.gz TTYXMAYEFMCVEH-HOTGVXAUSA-N 2 2 317.481 3.182 20 30 DGEDLP CC(C)[NH+](C)Cc1cnc2n1CC[N@H+]([C@@H](C)CCCC#N)[C@H]2C ZINC001172495693 1097169701 /nfs/dbraw/zinc/16/97/01/1097169701.db2.gz TTYXMAYEFMCVEH-HOTGVXAUSA-N 2 2 317.481 3.182 20 30 DGEDLP CC(C)[NH+](C)Cc1cnc2n1CC[N@@H+]([C@@H](C)CCCC#N)[C@H]2C ZINC001172495693 1097169703 /nfs/dbraw/zinc/16/97/03/1097169703.db2.gz TTYXMAYEFMCVEH-HOTGVXAUSA-N 2 2 317.481 3.182 20 30 DGEDLP Cc1c[nH+]ccc1O[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2C)C1 ZINC001233083558 1098222263 /nfs/dbraw/zinc/22/22/63/1098222263.db2.gz PVSCRHYZDWIUNO-GOSISDBHSA-N 2 2 307.397 3.223 20 30 DGEDLP Cc1c[nH+]ccc1O[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2C)C1 ZINC001233083558 1098222269 /nfs/dbraw/zinc/22/22/69/1098222269.db2.gz PVSCRHYZDWIUNO-GOSISDBHSA-N 2 2 307.397 3.223 20 30 DGEDLP CCCCCCC[NH2+]CCCC[C@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001176829587 1098441380 /nfs/dbraw/zinc/44/13/80/1098441380.db2.gz OHLYZWSFTAZFRS-KRWDZBQOSA-N 2 2 322.497 3.118 20 30 DGEDLP [NH3+]CC12CC(C1)C[N@@H+]2Cc1ccc(C#Cc2ccccc2)cc1 ZINC001235007021 1098748601 /nfs/dbraw/zinc/74/86/01/1098748601.db2.gz IRYBSPLQPBHPRV-UHFFFAOYSA-N 2 2 302.421 3.010 20 30 DGEDLP [NH3+]CC12CC(C1)C[N@H+]2Cc1ccc(C#Cc2ccccc2)cc1 ZINC001235007021 1098748612 /nfs/dbraw/zinc/74/86/12/1098748612.db2.gz IRYBSPLQPBHPRV-UHFFFAOYSA-N 2 2 302.421 3.010 20 30 DGEDLP C=CC[N@@H+](C)Cc1ccc(-n2cc[nH+]c2)c(Br)c1 ZINC001235033966 1098764899 /nfs/dbraw/zinc/76/48/99/1098764899.db2.gz HWEMYEHRUAJARA-UHFFFAOYSA-N 2 2 306.207 3.253 20 30 DGEDLP C=CC[N@H+](C)Cc1ccc(-n2cc[nH+]c2)c(Br)c1 ZINC001235033966 1098764902 /nfs/dbraw/zinc/76/49/02/1098764902.db2.gz HWEMYEHRUAJARA-UHFFFAOYSA-N 2 2 306.207 3.253 20 30 DGEDLP N#Cc1cccc(C[N@@H+]2CCC[C@]23C[NH2+]C[C@@H]3c2ccccc2)c1 ZINC001235249203 1098922649 /nfs/dbraw/zinc/92/26/49/1098922649.db2.gz LXROMAHOPGSLJR-NHCUHLMSSA-N 2 2 317.436 3.280 20 30 DGEDLP N#Cc1cccc(C[N@H+]2CCC[C@]23C[NH2+]C[C@@H]3c2ccccc2)c1 ZINC001235249203 1098922654 /nfs/dbraw/zinc/92/26/54/1098922654.db2.gz LXROMAHOPGSLJR-NHCUHLMSSA-N 2 2 317.436 3.280 20 30 DGEDLP N#CCc1ccccc1C[NH+]1CCC([NH+]2CCC(F)CC2)CC1 ZINC001235531005 1099078171 /nfs/dbraw/zinc/07/81/71/1099078171.db2.gz ZEQPHUUDKKIZQS-UHFFFAOYSA-N 2 2 315.436 3.151 20 30 DGEDLP CC[C@H]([NH3+])C[N@H+](C)Cc1ccc(N(C)c2ccc(C#N)cc2)cc1 ZINC001236866098 1099841023 /nfs/dbraw/zinc/84/10/23/1099841023.db2.gz SBTTVXYRDVREJZ-SFHVURJKSA-N 2 2 322.456 3.495 20 30 DGEDLP CC[C@H]([NH3+])C[N@@H+](C)Cc1ccc(N(C)c2ccc(C#N)cc2)cc1 ZINC001236866098 1099841030 /nfs/dbraw/zinc/84/10/30/1099841030.db2.gz SBTTVXYRDVREJZ-SFHVURJKSA-N 2 2 322.456 3.495 20 30 DGEDLP N#Cc1cc(Cl)cc(-c2ccn3c[nH+]c(C4C[NH2+]C4)c3c2)c1 ZINC001242566938 1102216157 /nfs/dbraw/zinc/21/61/57/1102216157.db2.gz HDASDXQXRDZCBL-UHFFFAOYSA-N 2 2 308.772 3.213 20 30 DGEDLP N#CC1(c2ccc(-c3cccc(C[N@H+]4CC[C@@H]([NH3+])C4)c3)cc2)CC1 ZINC001243424408 1102715676 /nfs/dbraw/zinc/71/56/76/1102715676.db2.gz NVUSQYTUGHWRAH-HXUWFJFHSA-N 2 2 317.436 3.442 20 30 DGEDLP N#CC1(c2ccc(-c3cccc(C[N@@H+]4CC[C@@H]([NH3+])C4)c3)cc2)CC1 ZINC001243424408 1102715684 /nfs/dbraw/zinc/71/56/84/1102715684.db2.gz NVUSQYTUGHWRAH-HXUWFJFHSA-N 2 2 317.436 3.442 20 30 DGEDLP N#Cc1c(Cl)cccc1-c1ccc(C[N@H+]2CC[C@@H]([NH3+])C2)cc1 ZINC001244734078 1103658048 /nfs/dbraw/zinc/65/80/48/1103658048.db2.gz DBBCDAPDISMXGV-OAHLLOKOSA-N 2 2 311.816 3.412 20 30 DGEDLP N#Cc1c(Cl)cccc1-c1ccc(C[N@@H+]2CC[C@@H]([NH3+])C2)cc1 ZINC001244734078 1103658053 /nfs/dbraw/zinc/65/80/53/1103658053.db2.gz DBBCDAPDISMXGV-OAHLLOKOSA-N 2 2 311.816 3.412 20 30 DGEDLP CCc1cc(-c2cccc(C[N@@H+]3CC[C@H]([NH3+])C3)c2)ccc1C#N ZINC001244954851 1103779000 /nfs/dbraw/zinc/77/90/00/1103779000.db2.gz FEDCNRXVMLDMLR-FQEVSTJZSA-N 2 2 305.425 3.321 20 30 DGEDLP CCc1cc(-c2cccc(C[N@H+]3CC[C@H]([NH3+])C3)c2)ccc1C#N ZINC001244954851 1103779006 /nfs/dbraw/zinc/77/90/06/1103779006.db2.gz FEDCNRXVMLDMLR-FQEVSTJZSA-N 2 2 305.425 3.321 20 30 DGEDLP Cc1ccc(C[N@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)cc1C#N ZINC001328835509 1104086840 /nfs/dbraw/zinc/08/68/40/1104086840.db2.gz WEQCIMQTLMEPPG-MRXNPFEDSA-N 2 2 308.429 3.055 20 30 DGEDLP Cc1ccc(C[N@@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)cc1C#N ZINC001328835509 1104086850 /nfs/dbraw/zinc/08/68/50/1104086850.db2.gz WEQCIMQTLMEPPG-MRXNPFEDSA-N 2 2 308.429 3.055 20 30 DGEDLP CCCCCCCCCC[C@@H](O)C[NH2+]C[C@@H]1C[C@@H](F)C[NH2+]1 ZINC001245970835 1104344590 /nfs/dbraw/zinc/34/45/90/1104344590.db2.gz CFVMRQPKFAVOEX-IXDOHACOSA-N 2 2 302.478 3.168 20 30 DGEDLP C=CCCCCCC[NH+]1CCC2(C[NH+](COCCOC)C2)CC1 ZINC001276042299 1105003273 /nfs/dbraw/zinc/00/32/73/1105003273.db2.gz ZCCUWKDLORJDHR-UHFFFAOYSA-N 2 2 324.509 3.141 20 30 DGEDLP C=CCC[C@@H](O)C[NH+]1CCC([N@H+](C)Cc2ccccc2F)CC1 ZINC001252601951 1105800282 /nfs/dbraw/zinc/80/02/82/1105800282.db2.gz HKJYAVXLDODMTE-GOSISDBHSA-N 2 2 320.452 3.049 20 30 DGEDLP C=CCC[C@@H](O)C[NH+]1CCC([N@@H+](C)Cc2ccccc2F)CC1 ZINC001252601951 1105800290 /nfs/dbraw/zinc/80/02/90/1105800290.db2.gz HKJYAVXLDODMTE-GOSISDBHSA-N 2 2 320.452 3.049 20 30 DGEDLP C=C[C@@H]([NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC001252950854 1105858940 /nfs/dbraw/zinc/85/89/40/1105858940.db2.gz HMSPLDZTXQZQGX-RTWAWAEBSA-N 2 2 322.452 3.140 20 30 DGEDLP C=C[C@@H]([NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC001252950854 1105858949 /nfs/dbraw/zinc/85/89/49/1105858949.db2.gz HMSPLDZTXQZQGX-RTWAWAEBSA-N 2 2 322.452 3.140 20 30 DGEDLP C=CCCCCCC[C@H](O)C[NH+]1CC2(C1)CC[N@H+](CC1CC1)C2 ZINC001253236501 1105907585 /nfs/dbraw/zinc/90/75/85/1105907585.db2.gz DNIDTEZJNORFLZ-IBGZPJMESA-N 2 2 320.521 3.292 20 30 DGEDLP C=CCCCCCC[C@H](O)C[NH+]1CC2(C1)CC[N@@H+](CC1CC1)C2 ZINC001253236501 1105907589 /nfs/dbraw/zinc/90/75/89/1105907589.db2.gz DNIDTEZJNORFLZ-IBGZPJMESA-N 2 2 320.521 3.292 20 30 DGEDLP N#C[C@H]1CC[C@H]([NH+]2CCC([N@@H+]3CCc4ccccc4C3)CC2)C1 ZINC001254670980 1106129959 /nfs/dbraw/zinc/12/99/59/1106129959.db2.gz NJOPAYYSUWAWCI-JXFKEZNVSA-N 2 2 309.457 3.201 20 30 DGEDLP N#C[C@H]1CC[C@H]([NH+]2CCC([N@H+]3CCc4ccccc4C3)CC2)C1 ZINC001254670980 1106129961 /nfs/dbraw/zinc/12/99/61/1106129961.db2.gz NJOPAYYSUWAWCI-JXFKEZNVSA-N 2 2 309.457 3.201 20 30 DGEDLP C[N@H+](Cc1ccccc1F)C1CC[NH+]([C@H]2CC[C@H](C#N)C2)CC1 ZINC001254673752 1106130970 /nfs/dbraw/zinc/13/09/70/1106130970.db2.gz OGPCRHYQWITYTN-YJBOKZPZSA-N 2 2 315.436 3.414 20 30 DGEDLP C[N@@H+](Cc1ccccc1F)C1CC[NH+]([C@H]2CC[C@H](C#N)C2)CC1 ZINC001254673752 1106130973 /nfs/dbraw/zinc/13/09/73/1106130973.db2.gz OGPCRHYQWITYTN-YJBOKZPZSA-N 2 2 315.436 3.414 20 30 DGEDLP C[C@@]1(C#N)CC[N@@H+]([C@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001255151325 1106190229 /nfs/dbraw/zinc/19/02/29/1106190229.db2.gz WUAWHHICMUPHCW-NMLBUPMWSA-N 2 2 309.457 3.418 20 30 DGEDLP C[C@@]1(C#N)CC[N@H+]([C@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001255151325 1106190236 /nfs/dbraw/zinc/19/02/36/1106190236.db2.gz WUAWHHICMUPHCW-NMLBUPMWSA-N 2 2 309.457 3.418 20 30 DGEDLP C[C@@]1(C#N)CC[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001255151325 1106190239 /nfs/dbraw/zinc/19/02/39/1106190239.db2.gz WUAWHHICMUPHCW-NMLBUPMWSA-N 2 2 309.457 3.418 20 30 DGEDLP C[C@@]1(C#N)CC[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001255151325 1106190243 /nfs/dbraw/zinc/19/02/43/1106190243.db2.gz WUAWHHICMUPHCW-NMLBUPMWSA-N 2 2 309.457 3.418 20 30 DGEDLP Cn1cc[nH+]c1CC[NH2+]C1CCC(c2ccc(C#N)cc2)CC1 ZINC001257016157 1106524814 /nfs/dbraw/zinc/52/48/14/1106524814.db2.gz WMTSUPMYHHLRBU-UHFFFAOYSA-N 2 2 308.429 3.150 20 30 DGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]Cc3ccsc3)CC2)cc1 ZINC000181498476 199307266 /nfs/dbraw/zinc/30/72/66/199307266.db2.gz MVULFGAGBMHMCT-UHFFFAOYSA-N 2 2 311.454 3.374 20 30 DGEDLP C[NH+](CCC[N@@H+](C)CC#Cc1ccc(F)cc1)Cc1ccco1 ZINC000353558635 529822773 /nfs/dbraw/zinc/82/27/73/529822773.db2.gz XWNDLQHULSEPDX-UHFFFAOYSA-N 2 2 314.404 3.224 20 30 DGEDLP C[NH+](CCC[N@H+](C)CC#Cc1ccc(F)cc1)Cc1ccco1 ZINC000353558635 529822774 /nfs/dbraw/zinc/82/27/74/529822774.db2.gz XWNDLQHULSEPDX-UHFFFAOYSA-N 2 2 314.404 3.224 20 30 DGEDLP C[NH+](CC#Cc1ccc(F)cc1)CCC[N@H+](C)Cc1ccco1 ZINC000353558635 529822775 /nfs/dbraw/zinc/82/27/75/529822775.db2.gz XWNDLQHULSEPDX-UHFFFAOYSA-N 2 2 314.404 3.224 20 30 DGEDLP C[NH+](CC#Cc1ccc(F)cc1)CCC[N@@H+](C)Cc1ccco1 ZINC000353558635 529822776 /nfs/dbraw/zinc/82/27/76/529822776.db2.gz XWNDLQHULSEPDX-UHFFFAOYSA-N 2 2 314.404 3.224 20 30 DGEDLP Cc1ccc(NC(=[NH2+])NCc2ccccc2-n2cc[nH+]c2)cc1C ZINC000104176247 432014649 /nfs/dbraw/zinc/01/46/49/432014649.db2.gz ZVMBVBNVGMBFFH-UHFFFAOYSA-N 2 2 319.412 3.416 20 30 DGEDLP Cc1ccccc1C[NH+]1CCC([NH2+]Cc2ccc(C#N)o2)CC1 ZINC000174276923 198313373 /nfs/dbraw/zinc/31/33/73/198313373.db2.gz SYTXIVYNXAVBSZ-UHFFFAOYSA-N 2 2 309.413 3.214 20 30 DGEDLP C=CC[NH+]1CCC([NH2+]C2CCC(OC3CCCC3)CC2)CC1 ZINC000449122006 240027312 /nfs/dbraw/zinc/02/73/12/240027312.db2.gz JXFLPRAMXZTEFP-UHFFFAOYSA-N 2 2 306.494 3.497 20 30 DGEDLP N#C[C@H]1CC[C@H]([NH2+]Cc2c(Cl)cccc2-n2cc[nH+]c2)C1 ZINC000449352685 240151933 /nfs/dbraw/zinc/15/19/33/240151933.db2.gz XSVLSWMCOGIATB-STQMWFEESA-N 2 2 300.793 3.308 20 30 DGEDLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1ccc(O[C@H](C)C#N)cc1 ZINC000246445517 432131992 /nfs/dbraw/zinc/13/19/92/432131992.db2.gz NNFXGQXXXGMDJZ-NXHRZFHOSA-N 2 2 313.445 3.036 20 30 DGEDLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1ccc(O[C@H](C)C#N)cc1 ZINC000246445517 432131995 /nfs/dbraw/zinc/13/19/95/432131995.db2.gz NNFXGQXXXGMDJZ-NXHRZFHOSA-N 2 2 313.445 3.036 20 30 DGEDLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(O[C@H](C)C#N)cc1 ZINC000246445517 432132000 /nfs/dbraw/zinc/13/20/00/432132000.db2.gz NNFXGQXXXGMDJZ-NXHRZFHOSA-N 2 2 313.445 3.036 20 30 DGEDLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(O[C@H](C)C#N)cc1 ZINC000246445517 432132005 /nfs/dbraw/zinc/13/20/05/432132005.db2.gz NNFXGQXXXGMDJZ-NXHRZFHOSA-N 2 2 313.445 3.036 20 30 DGEDLP C=CC[NH+](CC=C)[C@H](C[NH2+][C@H]1[C@H]2CCO[C@H]2C12CCC2)C(C)C ZINC000493897957 246094158 /nfs/dbraw/zinc/09/41/58/246094158.db2.gz SOXYGIBRMWDBDS-AKHDSKFASA-N 2 2 318.505 3.232 20 30 DGEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)c2ccc(-n3cccn3)cc2)CC1 ZINC000268855527 207021825 /nfs/dbraw/zinc/02/18/25/207021825.db2.gz GSCUNCADQADJHV-INIZCTEOSA-N 2 2 310.445 3.173 20 30 DGEDLP N#Cc1ccc(C[NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)c(F)c1 ZINC000343280700 254123481 /nfs/dbraw/zinc/12/34/81/254123481.db2.gz UGYWQNMYMVCJIN-UHFFFAOYSA-N 2 2 320.371 3.232 20 30 DGEDLP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1ccc(C#N)o1 ZINC000601137328 400245527 /nfs/dbraw/zinc/24/55/27/400245527.db2.gz BFSRCFYTRPJDJZ-DOTOQJQBSA-N 2 2 309.413 3.009 20 30 DGEDLP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1ccc(C#N)o1 ZINC000601137328 400245534 /nfs/dbraw/zinc/24/55/34/400245534.db2.gz BFSRCFYTRPJDJZ-DOTOQJQBSA-N 2 2 309.413 3.009 20 30 DGEDLP CC[C@@H]1C[N@H+](Cc2ccc(C#N)cc2C(F)(F)F)CC[C@H]1[NH3+] ZINC000595895500 400289211 /nfs/dbraw/zinc/28/92/11/400289211.db2.gz OGNSZKLNKUHLAB-IUODEOHRSA-N 2 2 311.351 3.136 20 30 DGEDLP CC[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2C(F)(F)F)CC[C@H]1[NH3+] ZINC000595895500 400289216 /nfs/dbraw/zinc/28/92/16/400289216.db2.gz OGNSZKLNKUHLAB-IUODEOHRSA-N 2 2 311.351 3.136 20 30 DGEDLP N#Cc1ccc(C[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)c(C(F)(F)F)c1 ZINC000595892629 400289299 /nfs/dbraw/zinc/28/92/99/400289299.db2.gz NTTIOCGXNUBJPF-MRXNPFEDSA-N 2 2 323.362 3.153 20 30 DGEDLP N#Cc1ccc(C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)c(C(F)(F)F)c1 ZINC000595892629 400289302 /nfs/dbraw/zinc/28/93/02/400289302.db2.gz NTTIOCGXNUBJPF-MRXNPFEDSA-N 2 2 323.362 3.153 20 30 DGEDLP C[C@]1([NH2+]Cc2cccc(C#N)c2)CC[N@H+](Cc2ccccc2)C1 ZINC000406068793 400300782 /nfs/dbraw/zinc/30/07/82/400300782.db2.gz MQLCMICPGITNMN-FQEVSTJZSA-N 2 2 305.425 3.312 20 30 DGEDLP C[C@]1([NH2+]Cc2cccc(C#N)c2)CC[N@@H+](Cc2ccccc2)C1 ZINC000406068793 400300789 /nfs/dbraw/zinc/30/07/89/400300789.db2.gz MQLCMICPGITNMN-FQEVSTJZSA-N 2 2 305.425 3.312 20 30 DGEDLP C=CC[C@H]1CCCC[C@@H]1[NH2+]C1CC[NH+](CCCC(=O)OC)CC1 ZINC000597174011 400576360 /nfs/dbraw/zinc/57/63/60/400576360.db2.gz TYBPWUBKDMTVKX-WMZOPIPTSA-N 2 2 322.493 3.129 20 30 DGEDLP C[C@H](CC1(C#N)CCOCC1)[NH2+][C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000602707721 400546333 /nfs/dbraw/zinc/54/63/33/400546333.db2.gz ABXXWIMYIADILJ-IAGOWNOFSA-N 2 2 319.493 3.082 20 30 DGEDLP C[C@H](CC1(C#N)CCOCC1)[NH2+][C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000602707721 400546337 /nfs/dbraw/zinc/54/63/37/400546337.db2.gz ABXXWIMYIADILJ-IAGOWNOFSA-N 2 2 319.493 3.082 20 30 DGEDLP C[C@H]1SCC[C@H]1[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000592380879 400642944 /nfs/dbraw/zinc/64/29/44/400642944.db2.gz SMKSLYQTDNUVMS-RDTXWAMCSA-N 2 2 315.486 3.006 20 30 DGEDLP Cc1ccc2[nH+]cc(C[NH2+][C@H]3CCc4cc(C#N)ccc43)n2c1 ZINC000618743163 400680116 /nfs/dbraw/zinc/68/01/16/400680116.db2.gz YMKYVBZXOQKADW-SFHVURJKSA-N 2 2 302.381 3.292 20 30 DGEDLP Cc1ccc(C[NH+]2CCC(Nc3cccc[nH+]3)CC2)cc1C#N ZINC000599338794 401026064 /nfs/dbraw/zinc/02/60/64/401026064.db2.gz HDXIZVINBNDNAV-UHFFFAOYSA-N 2 2 306.413 3.338 20 30 DGEDLP C=CCOc1c(Cl)cc(C[NH2+]C2CC[NH+](C)CC2)cc1OC ZINC000623342008 401495102 /nfs/dbraw/zinc/49/51/02/401495102.db2.gz AOONIAYNVOANPV-UHFFFAOYSA-N 2 2 324.852 3.097 20 30 DGEDLP C[NH+](C)Cc1cnc(C[NH2+][C@@H](CCC#N)c2ccccc2)s1 ZINC000352759784 229262289 /nfs/dbraw/zinc/26/22/89/229262289.db2.gz LKHMLSHWXXNYPJ-INIZCTEOSA-N 2 2 314.458 3.339 20 30 DGEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2c(C)nn(C(C)(C)C)c2C)CC1 ZINC000270255781 432231714 /nfs/dbraw/zinc/23/17/14/432231714.db2.gz SEICESLVTGZUQY-UHFFFAOYSA-N 2 2 318.509 3.385 20 30 DGEDLP CC[NH+](CC)C[C@H]1CCCC[C@@H]1[NH2+]Cc1nc(C#N)cs1 ZINC000352798700 266118293 /nfs/dbraw/zinc/11/82/93/266118293.db2.gz NXIAXSVBJVWVPP-HIFRSBDPSA-N 2 2 306.479 3.005 20 30 DGEDLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+][C@H]1CCCCc2cc(C#N)ccc21 ZINC000360665630 267046444 /nfs/dbraw/zinc/04/64/44/267046444.db2.gz XQAGAEUHZINBOT-VOBQZIQPSA-N 2 2 309.457 3.398 20 30 DGEDLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+][C@H]1CCCCc2cc(C#N)ccc21 ZINC000360665630 267046446 /nfs/dbraw/zinc/04/64/46/267046446.db2.gz XQAGAEUHZINBOT-VOBQZIQPSA-N 2 2 309.457 3.398 20 30 DGEDLP C[C@H]([NH2+]CC1(C[NH+](C)C)CCCC1)c1ccc(C#N)cc1F ZINC000355072917 267181146 /nfs/dbraw/zinc/18/11/46/267181146.db2.gz YNJXLBBMBVVRLX-AWEZNQCLSA-N 2 2 303.425 3.470 20 30 DGEDLP N#Cc1ccc(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)cc1F ZINC000403978698 268072518 /nfs/dbraw/zinc/07/25/18/268072518.db2.gz AHDWQKUYMLBMRZ-UHFFFAOYSA-N 2 2 323.415 3.452 20 30 DGEDLP N#Cc1cccc(C[NH+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC000348333610 268248594 /nfs/dbraw/zinc/24/85/94/268248594.db2.gz ZYHDZQWLRZCSAS-NHCUHLMSSA-N 2 2 317.436 3.122 20 30 DGEDLP COc1ccc(C[NH2+]CCn2c(C)[nH+]c3ccccc32)cc1C#N ZINC000124937079 431908872 /nfs/dbraw/zinc/90/88/72/431908872.db2.gz YWLAHYQFFMLREH-UHFFFAOYSA-N 2 2 320.396 3.015 20 30 DGEDLP C=CCOc1ccccc1C[NH+]1CCC([NH+]2CCCC2)CC1 ZINC000127728741 431979560 /nfs/dbraw/zinc/97/95/60/431979560.db2.gz QANPEPJJXYAVHV-UHFFFAOYSA-N 2 2 300.446 3.312 20 30 DGEDLP N#Cc1ccc(C[NH2+]CCc2[nH+]ccn2Cc2ccccc2)cc1 ZINC000048711041 431931234 /nfs/dbraw/zinc/93/12/34/431931234.db2.gz GIMIDHKDFSVZHD-UHFFFAOYSA-N 2 2 316.408 3.135 20 30 DGEDLP N#Cc1ccc(C[NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)cc1 ZINC000048711340 431931281 /nfs/dbraw/zinc/93/12/81/431931281.db2.gz IBDKPFCPZSQREZ-UHFFFAOYSA-N 2 2 302.381 3.093 20 30 DGEDLP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1cc(C#N)ccc1F ZINC000191481400 432269193 /nfs/dbraw/zinc/26/91/93/432269193.db2.gz APSJOEVGIQIUID-UHFFFAOYSA-N 2 2 314.408 3.368 20 30 DGEDLP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1cc(C#N)ccc1F ZINC000191481400 432269197 /nfs/dbraw/zinc/26/91/97/432269197.db2.gz APSJOEVGIQIUID-UHFFFAOYSA-N 2 2 314.408 3.368 20 30 DGEDLP Clc1cccc(C#CC[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c1 ZINC000153548324 432419254 /nfs/dbraw/zinc/41/92/54/432419254.db2.gz NQWZXCPJXPSCKC-GOSISDBHSA-N 2 2 316.876 3.499 20 30 DGEDLP Clc1cccc(C#CC[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c1 ZINC000153548324 432419257 /nfs/dbraw/zinc/41/92/57/432419257.db2.gz NQWZXCPJXPSCKC-GOSISDBHSA-N 2 2 316.876 3.499 20 30 DGEDLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+]Cc2cccc(C#N)c2)C1 ZINC000262015889 432468576 /nfs/dbraw/zinc/46/85/76/432468576.db2.gz VXKRFWRFSLWPBB-UZLBHIALSA-N 2 2 305.425 3.483 20 30 DGEDLP C[C@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+]Cc2cccc(C#N)c2)C1 ZINC000262015889 432468580 /nfs/dbraw/zinc/46/85/80/432468580.db2.gz VXKRFWRFSLWPBB-UZLBHIALSA-N 2 2 305.425 3.483 20 30 DGEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2nc(-c3ccccc3)c[nH]2)CC1 ZINC000194299645 432539632 /nfs/dbraw/zinc/53/96/32/432539632.db2.gz CXYMNKILHARBON-UHFFFAOYSA-N 2 2 310.445 3.207 20 30 DGEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2nn(CC)c3ccccc23)CC1 ZINC000274443854 432669528 /nfs/dbraw/zinc/66/95/28/432669528.db2.gz PMNCBBDQKROUCH-UHFFFAOYSA-N 2 2 312.461 3.186 20 30 DGEDLP C=CC[NH+]1CCC([NH2+][C@H]2CCCOc3ccc(F)cc32)CC1 ZINC000177906245 432671480 /nfs/dbraw/zinc/67/14/80/432671480.db2.gz LTKUEKFHDQJXPE-KRWDZBQOSA-N 2 2 304.409 3.279 20 30 DGEDLP C[C@H](C(=O)NC1CCCCC1)[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000329950676 432884658 /nfs/dbraw/zinc/88/46/58/432884658.db2.gz MLJPRAZNIVZMNF-ZIAGYGMSSA-N 2 2 304.438 3.267 20 30 DGEDLP C[C@H](C(=O)NC1CCCCC1)[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000329950676 432884661 /nfs/dbraw/zinc/88/46/61/432884661.db2.gz MLJPRAZNIVZMNF-ZIAGYGMSSA-N 2 2 304.438 3.267 20 30 DGEDLP Cn1cc[nH+]c1[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2C#N)C1 ZINC000373112200 433096909 /nfs/dbraw/zinc/09/69/09/433096909.db2.gz NIOOPPYYBBJHLU-AWEZNQCLSA-N 2 2 314.820 3.325 20 30 DGEDLP Cn1cc[nH+]c1[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2C#N)C1 ZINC000373112200 433096917 /nfs/dbraw/zinc/09/69/17/433096917.db2.gz NIOOPPYYBBJHLU-AWEZNQCLSA-N 2 2 314.820 3.325 20 30 DGEDLP C=C(C)[C@H]1OCC[C@H]1C[NH2+]Cc1c[nH+]c(C)n1-c1ccccc1 ZINC000280642526 433118211 /nfs/dbraw/zinc/11/82/11/433118211.db2.gz NIGRPEQXZDDADV-QFBILLFUSA-N 2 2 311.429 3.252 20 30 DGEDLP CC[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)nc1)c1ccc(C#N)cc1 ZINC000373921549 433167644 /nfs/dbraw/zinc/16/76/44/433167644.db2.gz INIDBBSTLPCDIP-GOSISDBHSA-N 2 2 317.396 3.380 20 30 DGEDLP C[N@H+](CC#Cc1cccc(Cl)c1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285493031 433965357 /nfs/dbraw/zinc/96/53/57/433965357.db2.gz MEJNJHZNEZFCIR-JWTNVVGKSA-N 2 2 302.849 3.249 20 30 DGEDLP C[N@@H+](CC#Cc1cccc(Cl)c1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285493031 433965369 /nfs/dbraw/zinc/96/53/69/433965369.db2.gz MEJNJHZNEZFCIR-JWTNVVGKSA-N 2 2 302.849 3.249 20 30 DGEDLP C[NH+](CC#Cc1cccc(Cl)c1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000285493031 433965379 /nfs/dbraw/zinc/96/53/79/433965379.db2.gz MEJNJHZNEZFCIR-JWTNVVGKSA-N 2 2 302.849 3.249 20 30 DGEDLP C[NH+](CC#Cc1cccc(Cl)c1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000285493031 433965387 /nfs/dbraw/zinc/96/53/87/433965387.db2.gz MEJNJHZNEZFCIR-JWTNVVGKSA-N 2 2 302.849 3.249 20 30 DGEDLP C=CCOc1cccc(C[N@H+]2CCC[C@H](c3[nH+]ccn3C)C2)c1 ZINC000365818616 434310104 /nfs/dbraw/zinc/31/01/04/434310104.db2.gz GEHPBZLSVVQCTF-KRWDZBQOSA-N 2 2 311.429 3.365 20 30 DGEDLP C=CCOc1cccc(C[N@@H+]2CCC[C@H](c3[nH+]ccn3C)C2)c1 ZINC000365818616 434310112 /nfs/dbraw/zinc/31/01/12/434310112.db2.gz GEHPBZLSVVQCTF-KRWDZBQOSA-N 2 2 311.429 3.365 20 30 DGEDLP C[N@H+](Cc1cccc(C#N)c1)C1CC[NH+](Cc2ccncc2)CC1 ZINC000367103899 434538637 /nfs/dbraw/zinc/53/86/37/434538637.db2.gz TZOKVKXYFJJYKT-UHFFFAOYSA-N 2 2 320.440 3.050 20 30 DGEDLP C[N@@H+](Cc1cccc(C#N)c1)C1CC[NH+](Cc2ccncc2)CC1 ZINC000367103899 434538644 /nfs/dbraw/zinc/53/86/44/434538644.db2.gz TZOKVKXYFJJYKT-UHFFFAOYSA-N 2 2 320.440 3.050 20 30 DGEDLP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000368533326 434578119 /nfs/dbraw/zinc/57/81/19/434578119.db2.gz BRBIBQYONUGJCV-RNQOJCNYSA-N 2 2 314.473 3.393 20 30 DGEDLP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000368533326 434578124 /nfs/dbraw/zinc/57/81/24/434578124.db2.gz BRBIBQYONUGJCV-RNQOJCNYSA-N 2 2 314.473 3.393 20 30 DGEDLP C=CC[NH+]1CCC([NH2+][C@@H]2C[C@H](OC(C)(C)C)C23CCC3)CC1 ZINC000638524681 435046674 /nfs/dbraw/zinc/04/66/74/435046674.db2.gz QUOBKSIQKJHNOJ-SJORKVTESA-N 2 2 306.494 3.353 20 30 DGEDLP C=CC[C@H](Cc1ccccc1)[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655776216 435789839 /nfs/dbraw/zinc/78/98/39/435789839.db2.gz JUIXZERPXHWCQX-WOJBJXKFSA-N 2 2 314.473 3.017 20 30 DGEDLP Cc1cc(C)c(NC(=O)N[C@@H](C)C[NH+]2CCCCC2)c(C)[nH+]1 ZINC000331231655 301183435 /nfs/dbraw/zinc/18/34/35/301183435.db2.gz IHPXNTOJUHTECK-AWEZNQCLSA-N 2 2 304.438 3.207 20 30 DGEDLP COc1cc(C#N)ccc1C[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000535044656 313695040 /nfs/dbraw/zinc/69/50/40/313695040.db2.gz QLOHGOJOASXGAJ-UHFFFAOYSA-N 2 2 322.412 3.038 20 30 DGEDLP C=CCC[C@H](C)[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000390625784 333307732 /nfs/dbraw/zinc/30/77/32/333307732.db2.gz HYVICVPKILSPOR-HKUYNNGSSA-N 2 2 302.462 3.222 20 30 DGEDLP C=CCC[C@H](C)[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000390625784 333307733 /nfs/dbraw/zinc/30/77/33/333307733.db2.gz HYVICVPKILSPOR-HKUYNNGSSA-N 2 2 302.462 3.222 20 30 DGEDLP C=C[C@@H]1CCCC[N@@H+]1CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000510790083 340311121 /nfs/dbraw/zinc/31/11/21/340311121.db2.gz FARSUTFYQHHRJR-LJQANCHMSA-N 2 2 313.489 3.239 20 30 DGEDLP C=C[C@@H]1CCCC[N@H+]1CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000510790083 340311122 /nfs/dbraw/zinc/31/11/22/340311122.db2.gz FARSUTFYQHHRJR-LJQANCHMSA-N 2 2 313.489 3.239 20 30 DGEDLP Cc1[nH+]c2ccc(C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)cc2n1C ZINC000331049651 534647735 /nfs/dbraw/zinc/64/77/35/534647735.db2.gz HOZDKDKXFJWBTD-GFCCVEGCSA-N 2 2 316.449 3.163 20 30 DGEDLP C=CCOc1ccc(C[N@H+]2CCC[C@H](C[NH2+]C)C2)cc1Cl ZINC000470012527 534882255 /nfs/dbraw/zinc/88/22/55/534882255.db2.gz IQMATTJSPORTFX-OAHLLOKOSA-N 2 2 308.853 3.336 20 30 DGEDLP C=CCOc1ccc(C[N@@H+]2CCC[C@H](C[NH2+]C)C2)cc1Cl ZINC000470012527 534882257 /nfs/dbraw/zinc/88/22/57/534882257.db2.gz IQMATTJSPORTFX-OAHLLOKOSA-N 2 2 308.853 3.336 20 30 DGEDLP C=C(C)C[N@H+](CCCc1ccc(C)[nH+]c1)Cc1ccc(CO)o1 ZINC000348637179 526551409 /nfs/dbraw/zinc/55/14/09/526551409.db2.gz SRQRIRFJGAIBRL-UHFFFAOYSA-N 2 2 314.429 3.486 20 30 DGEDLP C=C(C)C[N@@H+](CCCc1ccc(C)[nH+]c1)Cc1ccc(CO)o1 ZINC000348637179 526551419 /nfs/dbraw/zinc/55/14/19/526551419.db2.gz SRQRIRFJGAIBRL-UHFFFAOYSA-N 2 2 314.429 3.486 20 30 DGEDLP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)c2ccc(OC)c(O)c2)CC1 ZINC000353392419 526603594 /nfs/dbraw/zinc/60/35/94/526603594.db2.gz ZDHUYUSALPMJRG-AWEZNQCLSA-N 2 2 304.434 3.092 20 30 DGEDLP C=CCOc1cccc(C[NH+]2CCC([NH2+]CC3CC3)CC2)c1 ZINC000347111462 526897710 /nfs/dbraw/zinc/89/77/10/526897710.db2.gz QLQAZJZOPIBJFB-UHFFFAOYSA-N 2 2 300.446 3.215 20 30 DGEDLP C=CCOc1ccccc1C[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000352779630 526949862 /nfs/dbraw/zinc/94/98/62/526949862.db2.gz XNLLPJFUZODOBN-UHFFFAOYSA-N 2 2 317.458 3.059 20 30 DGEDLP C=C[C@@H]1CCCC[N@@H+]1C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000342121355 527457516 /nfs/dbraw/zinc/45/75/16/527457516.db2.gz DRCKVWZPQVTRIX-WOJBJXKFSA-N 2 2 314.473 3.318 20 30 DGEDLP C=C[C@@H]1CCCC[N@H+]1C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000342121355 527457518 /nfs/dbraw/zinc/45/75/18/527457518.db2.gz DRCKVWZPQVTRIX-WOJBJXKFSA-N 2 2 314.473 3.318 20 30 DGEDLP C=C[C@@H]1CCCC[NH+]1C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000342121355 527457522 /nfs/dbraw/zinc/45/75/22/527457522.db2.gz DRCKVWZPQVTRIX-WOJBJXKFSA-N 2 2 314.473 3.318 20 30 DGEDLP C=C[C@@H]1CCCC[NH+]1C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000342121355 527457527 /nfs/dbraw/zinc/45/75/27/527457527.db2.gz DRCKVWZPQVTRIX-WOJBJXKFSA-N 2 2 314.473 3.318 20 30 DGEDLP CC[NH+]1CCC(CCNC(=O)Nc2c(C)cc(C)[nH+]c2C)CC1 ZINC000331352298 528959737 /nfs/dbraw/zinc/95/97/37/528959737.db2.gz ZHYDJCWQYAJALH-UHFFFAOYSA-N 2 2 318.465 3.455 20 30 DGEDLP C=CC[NH+]1CCC([NH2+][C@H](C)c2ccnn2-c2ccccc2)CC1 ZINC000281292738 546385858 /nfs/dbraw/zinc/38/58/58/546385858.db2.gz QOCDDTCWBNZQDT-MRXNPFEDSA-N 2 2 310.445 3.173 20 30 DGEDLP C[NH+](C)Cc1ccc(C(N)=[NH+]OCc2ccccc2Cl)cc1 ZINC000747838760 575545357 /nfs/dbraw/zinc/54/53/57/575545357.db2.gz JQIACLLVHDSCKH-UHFFFAOYSA-N 2 2 317.820 3.239 20 30 DGEDLP C[NH+](C)Cc1ccc(C(N)=[NH+]OCc2ccc(Cl)cc2)cc1 ZINC000747838895 575545530 /nfs/dbraw/zinc/54/55/30/575545530.db2.gz QRTDKXPNXYJNIC-UHFFFAOYSA-N 2 2 317.820 3.239 20 30 DGEDLP Cc1cc(N2CC[NH+](C)CC2)ccc1[NH2+][C@H](C)CC(C)(C)C#N ZINC000925711713 618544067 /nfs/dbraw/zinc/54/40/67/618544067.db2.gz VMLXSKLJCVFZNQ-MRXNPFEDSA-N 2 2 314.477 3.487 20 30 DGEDLP C#CC[N@@H+](Cc1cc(C(C)C)c(C)cc1O)C1CC[NH+](C)CC1 ZINC000902536971 619646781 /nfs/dbraw/zinc/64/67/81/619646781.db2.gz KHRSASMPGCZWOA-UHFFFAOYSA-N 2 2 314.473 3.353 20 30 DGEDLP C#CC[N@H+](Cc1cc(C(C)C)c(C)cc1O)C1CC[NH+](C)CC1 ZINC000902536971 619646783 /nfs/dbraw/zinc/64/67/83/619646783.db2.gz KHRSASMPGCZWOA-UHFFFAOYSA-N 2 2 314.473 3.353 20 30 DGEDLP Cc1cc(C#N)cc(C)c1C[N@H+]1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000903452821 619779375 /nfs/dbraw/zinc/77/93/75/619779375.db2.gz RQOXQCMRTOEKRU-VQTJNVASSA-N 2 2 305.425 3.102 20 30 DGEDLP Cc1cc(C#N)cc(C)c1C[N@@H+]1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000903452821 619779377 /nfs/dbraw/zinc/77/93/77/619779377.db2.gz RQOXQCMRTOEKRU-VQTJNVASSA-N 2 2 305.425 3.102 20 30 DGEDLP C#CCCOc1ccc(C[NH2+]C[C@H]2CC[N@@H+]2C2CCCC2)cc1 ZINC000858285629 621171766 /nfs/dbraw/zinc/17/17/66/621171766.db2.gz NCGXEIACWGOPHM-LJQANCHMSA-N 2 2 312.457 3.195 20 30 DGEDLP C#CCCOc1ccc(C[NH2+]C[C@H]2CC[N@H+]2C2CCCC2)cc1 ZINC000858285629 621171768 /nfs/dbraw/zinc/17/17/68/621171768.db2.gz NCGXEIACWGOPHM-LJQANCHMSA-N 2 2 312.457 3.195 20 30 DGEDLP C[C@H]([NH2+]CCCC[NH+]1CCC(C)CC1)c1cccc(C#N)c1O ZINC000866234283 622071991 /nfs/dbraw/zinc/07/19/91/622071991.db2.gz LBPWCILZMOAYNC-INIZCTEOSA-N 2 2 315.461 3.427 20 30 DGEDLP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+][C@H](C)c2cccc(C#N)c2O)C1 ZINC000866308023 622090238 /nfs/dbraw/zinc/09/02/38/622090238.db2.gz OQVXLOGVVGONDA-CVEARBPZSA-N 2 2 315.461 3.282 20 30 DGEDLP C#CCOc1ccccc1C[NH+](C)[C@H]1CC[N@@H+](CC)[C@@H](C)C1 ZINC000769469717 622530502 /nfs/dbraw/zinc/53/05/02/622530502.db2.gz DCIXAISPDZDBHF-WMZOPIPTSA-N 2 2 300.446 3.003 20 30 DGEDLP C#CCOc1ccccc1C[NH+](C)[C@H]1CC[N@H+](CC)[C@@H](C)C1 ZINC000769469717 622530504 /nfs/dbraw/zinc/53/05/04/622530504.db2.gz DCIXAISPDZDBHF-WMZOPIPTSA-N 2 2 300.446 3.003 20 30 DGEDLP C#CCOc1ccccc1C[N@@H+](C)[C@H]1CC[NH+](CC)[C@@H](C)C1 ZINC000769469717 622530506 /nfs/dbraw/zinc/53/05/06/622530506.db2.gz DCIXAISPDZDBHF-WMZOPIPTSA-N 2 2 300.446 3.003 20 30 DGEDLP C#CCOc1ccccc1C[N@H+](C)[C@H]1CC[NH+](CC)[C@@H](C)C1 ZINC000769469717 622530508 /nfs/dbraw/zinc/53/05/08/622530508.db2.gz DCIXAISPDZDBHF-WMZOPIPTSA-N 2 2 300.446 3.003 20 30 DGEDLP C#CCOc1cccc(Cl)c1C[NH2+][C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000778177170 623621427 /nfs/dbraw/zinc/62/14/27/623621427.db2.gz PQTVBVHWANGTGA-LSDHHAIUSA-N 2 2 320.864 3.314 20 30 DGEDLP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+]Cc3ccc(C#N)cn3)CC2)C1 ZINC000783299436 624335964 /nfs/dbraw/zinc/33/59/64/624335964.db2.gz CDAWFMVPQUICOP-BEFAXECRSA-N 2 2 312.461 3.086 20 30 DGEDLP N#Cc1ccc(F)c(C[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)c1 ZINC000784569689 624550435 /nfs/dbraw/zinc/55/04/35/624550435.db2.gz GFUSZYXWRXXGEY-UHFFFAOYSA-N 2 2 312.373 3.234 20 30 DGEDLP CCOc1ccc(/C=[NH+]/CC2(SC)CC[NH+](C)CC2)c(O)c1 ZINC000811625441 627296890 /nfs/dbraw/zinc/29/68/90/627296890.db2.gz MSCHRBJSPOHEFJ-LDADJPATSA-N 2 2 322.474 3.037 20 30 DGEDLP C#CC[N@@H+](C)CCC[NH2+][C@H](C)c1cc(Cl)ccc1OCC ZINC000815652794 627695879 /nfs/dbraw/zinc/69/58/79/627695879.db2.gz TVSUJSAXIMRBID-CQSZACIVSA-N 2 2 308.853 3.344 20 30 DGEDLP C#CC[N@H+](C)CCC[NH2+][C@H](C)c1cc(Cl)ccc1OCC ZINC000815652794 627695880 /nfs/dbraw/zinc/69/58/80/627695880.db2.gz TVSUJSAXIMRBID-CQSZACIVSA-N 2 2 308.853 3.344 20 30 DGEDLP CC[C@@H]([NH2+]C[C@@H](C)Cn1cc[nH+]c1C)c1cccc(C#N)c1O ZINC000924949153 627696341 /nfs/dbraw/zinc/69/63/41/627696341.db2.gz FYTZLTRSJVWINO-CXAGYDPISA-N 2 2 312.417 3.146 20 30 DGEDLP CC[C@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1cccc(C#N)c1O ZINC000926753176 627946604 /nfs/dbraw/zinc/94/66/04/627946604.db2.gz FRTSDRIGDMTTGF-YOEHRIQHSA-N 2 2 301.434 3.036 20 30 DGEDLP C=CCc1cc(C[NH2+][C@H](C)[C@H]2CCCC[NH2+]2)cc(OC)c1OC ZINC000817909356 627959541 /nfs/dbraw/zinc/95/95/41/627959541.db2.gz OKPHOAZGJGOPEH-RHSMWYFYSA-N 2 2 318.461 3.053 20 30 DGEDLP C#CC[N@@H+](C)CCC[NH2+][C@H](C)c1ccc(-c2ccccc2)cn1 ZINC000846169269 631213312 /nfs/dbraw/zinc/21/33/12/631213312.db2.gz GIWMLFYGACBFSK-QGZVFWFLSA-N 2 2 307.441 3.354 20 30 DGEDLP C#CC[N@H+](C)CCC[NH2+][C@H](C)c1ccc(-c2ccccc2)cn1 ZINC000846169269 631213313 /nfs/dbraw/zinc/21/33/13/631213313.db2.gz GIWMLFYGACBFSK-QGZVFWFLSA-N 2 2 307.441 3.354 20 30 DGEDLP c1cn(CCCN=NC2CCCC[C@@H]2[NH+]2CCCCCC2)c[nH+]1 ZINC000848418968 631658516 /nfs/dbraw/zinc/65/85/16/631658516.db2.gz WKEGZDZSYOQNBY-SFHVURJKSA-N 2 2 317.481 3.037 20 30 DGEDLP C[C@H]([NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12)c1ccc(OCC#N)cc1 ZINC000848569178 631697238 /nfs/dbraw/zinc/69/72/38/631697238.db2.gz WLTRURXMDGSXDO-KFKAGJAMSA-N 2 2 313.445 3.256 20 30 DGEDLP C[C@H]([NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12)c1ccc(OCC#N)cc1 ZINC000848569178 631697245 /nfs/dbraw/zinc/69/72/45/631697245.db2.gz WLTRURXMDGSXDO-KFKAGJAMSA-N 2 2 313.445 3.256 20 30 DGEDLP C#CCCOc1ccc(C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000848575428 631701784 /nfs/dbraw/zinc/70/17/84/631701784.db2.gz QOLBLKXVACLCDO-UXHICEINSA-N 2 2 312.457 3.195 20 30 DGEDLP C#CCCOc1ccc(C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)cc1 ZINC000848575428 631701786 /nfs/dbraw/zinc/70/17/86/631701786.db2.gz QOLBLKXVACLCDO-UXHICEINSA-N 2 2 312.457 3.195 20 30 DGEDLP CC(C)(C#N)c1ccccc1C[N@@H+]1CCc2[nH+]ccc(N)c2C1 ZINC000931514011 661484135 /nfs/dbraw/zinc/48/41/35/661484135.db2.gz JKYYLINSCGCDBF-UHFFFAOYSA-N 2 2 306.413 3.023 20 30 DGEDLP CC(C)(C#N)c1ccccc1C[N@H+]1CCc2[nH+]ccc(N)c2C1 ZINC000931514011 661484136 /nfs/dbraw/zinc/48/41/36/661484136.db2.gz JKYYLINSCGCDBF-UHFFFAOYSA-N 2 2 306.413 3.023 20 30 DGEDLP C#CC[N@H+](C)CCC[NH2+]Cc1ccccc1OC1CCCC1 ZINC001772516008 1176104179 /nfs/dbraw/zinc/10/41/79/1176104179.db2.gz CUYWYPPBMBHJGI-UHFFFAOYSA-N 2 2 300.446 3.053 20 30 DGEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1ccccc1OC1CCCC1 ZINC001772516008 1176104184 /nfs/dbraw/zinc/10/41/84/1176104184.db2.gz CUYWYPPBMBHJGI-UHFFFAOYSA-N 2 2 300.446 3.053 20 30 DGEDLP N#Cc1ccc(CC[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)cc1 ZINC001621003938 1192779401 /nfs/dbraw/zinc/77/94/01/1192779401.db2.gz CYXCOFMMLNHVCI-UHFFFAOYSA-N 2 2 308.410 3.138 20 30 DGEDLP C=C(Cl)C[C@@H]([NH3+])C(=O)Nc1ccc(-c2[nH]c(C)c(C)[nH+]2)cc1 ZINC001349887046 1179972950 /nfs/dbraw/zinc/97/29/50/1179972950.db2.gz ZKTSQFPITYPTDX-CQSZACIVSA-N 2 2 318.808 3.102 20 30 DGEDLP C=CCC[NH2+]C[C@H]1CCCN(C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001480292298 1184482015 /nfs/dbraw/zinc/48/20/15/1184482015.db2.gz ZMIBCLFDZZHAIG-QGZVFWFLSA-N 2 2 315.461 3.025 20 30 DGEDLP CC1CC[NH+](CC[C@H]2CCC[N@@H+]2Cc2cncc(C#N)c2)CC1 ZINC001560069632 1189275058 /nfs/dbraw/zinc/27/50/58/1189275058.db2.gz XLSSZVHFKSFACD-LJQANCHMSA-N 2 2 312.461 3.040 20 30 DGEDLP CC1CC[NH+](CC[C@H]2CCC[N@H+]2Cc2cncc(C#N)c2)CC1 ZINC001560069632 1189275065 /nfs/dbraw/zinc/27/50/65/1189275065.db2.gz XLSSZVHFKSFACD-LJQANCHMSA-N 2 2 312.461 3.040 20 30 DGEDLP C=CC[NH+]1CCC([NH2+]Cc2cn(C)nc2C2CCCCC2)CC1 ZINC001560313528 1189310036 /nfs/dbraw/zinc/31/00/36/1189310036.db2.gz DXHPHEYFHXGGHN-UHFFFAOYSA-N 2 2 316.493 3.208 20 30 DGEDLP C=C(C)CC[NH2+]C[C@H]1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001567132445 1190037178 /nfs/dbraw/zinc/03/71/78/1190037178.db2.gz FBPLSUOBAKLQRL-QGZVFWFLSA-N 2 2 315.461 3.025 20 30 DGEDLP CCC#C[C@@H](C)[N@@H+]1CCC[NH+](Cc2ccccc2)CCOCC1 ZINC001648437495 1195299701 /nfs/dbraw/zinc/29/97/01/1195299701.db2.gz NLADLMHMOATTJT-LJQANCHMSA-N 2 2 314.473 3.013 20 30 DGEDLP CCC#C[C@@H](C)[N@H+]1CCC[NH+](Cc2ccccc2)CCOCC1 ZINC001648437495 1195299703 /nfs/dbraw/zinc/29/97/03/1195299703.db2.gz NLADLMHMOATTJT-LJQANCHMSA-N 2 2 314.473 3.013 20 30 DGEDLP CCC#C[C@@H](C)[NH+]1CCC[N@H+](Cc2ccccc2)CCOCC1 ZINC001648437495 1195299707 /nfs/dbraw/zinc/29/97/07/1195299707.db2.gz NLADLMHMOATTJT-LJQANCHMSA-N 2 2 314.473 3.013 20 30 DGEDLP CCC#C[C@@H](C)[NH+]1CCC[N@@H+](Cc2ccccc2)CCOCC1 ZINC001648437495 1195299710 /nfs/dbraw/zinc/29/97/10/1195299710.db2.gz NLADLMHMOATTJT-LJQANCHMSA-N 2 2 314.473 3.013 20 30 DGEDLP C#Cc1ccc(C[NH2+][C@H](Cn2cc[nH+]c2)c2ccccc2)cc1 ZINC001651474751 1195468311 /nfs/dbraw/zinc/46/83/11/1195468311.db2.gz DSWKDKXKSNKXID-HXUWFJFHSA-N 2 2 301.393 3.396 20 30 DGEDLP Cn1cc[nH+]c1C[C@@H]([NH2+]CC#Cc1ccccc1)c1ccccc1 ZINC001658613734 1196281029 /nfs/dbraw/zinc/28/10/29/1196281029.db2.gz HIKGZZKQFKAOSI-HXUWFJFHSA-N 2 2 315.420 3.345 20 30 DGEDLP CC[NH+](CC)[C@@H](CNC(=[NH2+])Nc1ccc(C)cc1)c1ccco1 ZINC000303890077 1199600996 /nfs/dbraw/zinc/60/09/96/1199600996.db2.gz PWEGYXYNMUFJQJ-INIZCTEOSA-N 2 2 314.433 3.398 20 30 DGEDLP CC[NH+](CC)[C@H](CNC(=[NH2+])Nc1ccc(C)cc1)c1ccco1 ZINC000303890079 1199601254 /nfs/dbraw/zinc/60/12/54/1199601254.db2.gz PWEGYXYNMUFJQJ-MRXNPFEDSA-N 2 2 314.433 3.398 20 30 DGEDLP C=CCCC[N@@H+](C)[C@H](C)CNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001755308106 1200788777 /nfs/dbraw/zinc/78/87/77/1200788777.db2.gz CNSPNUIJQDTGCO-OAHLLOKOSA-N 2 2 303.450 3.023 20 30 DGEDLP C=CCCC[N@H+](C)[C@H](C)CNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001755308106 1200788783 /nfs/dbraw/zinc/78/87/83/1200788783.db2.gz CNSPNUIJQDTGCO-OAHLLOKOSA-N 2 2 303.450 3.023 20 30 DGEDLP C=C(C)C[NH2+]C[C@@H](C1CC1)N(C)C(=O)c1c(C)cc(C)[nH+]c1C ZINC001755564880 1200956090 /nfs/dbraw/zinc/95/60/90/1200956090.db2.gz YTTIQXVPZMGEIW-KRWDZBQOSA-N 2 2 315.461 3.023 20 30 DGEDLP C=CC[NH2+]C1(CC)CCN(C(=O)c2c(C)cc(C)[nH+]c2C)CC1 ZINC001724886724 1204062632 /nfs/dbraw/zinc/06/26/32/1204062632.db2.gz KVEMACQOLNQFNT-UHFFFAOYSA-N 2 2 315.461 3.167 20 30 DGEDLP C[C@@H](C[NH+]1CCCC1)[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC001170359424 1082352246 /nfs/dbraw/zinc/35/22/46/1082352246.db2.gz XBMKCYVDYKPHLJ-KKXNLOMOSA-N 2 2 311.473 3.464 20 30 DGEDLP C[N@@H+]1CCC[C@H]2C[NH+](C3CCC(C#N)(c4ccccc4)CC3)C[C@H]21 ZINC001170398454 1082360958 /nfs/dbraw/zinc/36/09/58/1082360958.db2.gz PYKDZFCRAJATOY-RCKXYERXSA-N 2 2 323.484 3.417 20 30 DGEDLP C[N@H+]1CCC[C@H]2C[NH+](C3CCC(C#N)(c4ccccc4)CC3)C[C@H]21 ZINC001170398454 1082360961 /nfs/dbraw/zinc/36/09/61/1082360961.db2.gz PYKDZFCRAJATOY-RCKXYERXSA-N 2 2 323.484 3.417 20 30 DGEDLP C[NH+]1CCC[C@H]2C[N@@H+](C3CCC(C#N)(c4ccccc4)CC3)C[C@H]21 ZINC001170398454 1082360968 /nfs/dbraw/zinc/36/09/68/1082360968.db2.gz PYKDZFCRAJATOY-RCKXYERXSA-N 2 2 323.484 3.417 20 30 DGEDLP C[NH+]1CCC[C@H]2C[N@H+](C3CCC(C#N)(c4ccccc4)CC3)C[C@H]21 ZINC001170398454 1082360979 /nfs/dbraw/zinc/36/09/79/1082360979.db2.gz PYKDZFCRAJATOY-RCKXYERXSA-N 2 2 323.484 3.417 20 30 DGEDLP CC(C)SCC[NH2+]C1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC001206498505 1083683721 /nfs/dbraw/zinc/68/37/21/1083683721.db2.gz OKNMBHDTILSBSN-UHFFFAOYSA-N 2 2 317.502 3.254 20 30 DGEDLP C=CCC[NH2+]C1(CNC(=O)c2c(C)cc(C)[nH+]c2C)CCCC1 ZINC001482225182 1085429704 /nfs/dbraw/zinc/42/97/04/1085429704.db2.gz MHWHILHGLHHBHC-UHFFFAOYSA-N 2 2 315.461 3.215 20 30 DGEDLP N#Cc1ccc2cc[nH+]c(N3CCCC[C@@H]3C3CC[NH2+]CC3)c2c1 ZINC001165318351 1090502493 /nfs/dbraw/zinc/50/24/93/1090502493.db2.gz BCYUJRUVEBLHSN-LJQANCHMSA-N 2 2 320.440 3.465 20 30 DGEDLP N#Cc1csc(C[NH2+][C@H](Cn2cc[nH+]c2)c2ccccc2)c1 ZINC001203472526 1090740272 /nfs/dbraw/zinc/74/02/72/1090740272.db2.gz VVYJMNZSIDCMLE-QGZVFWFLSA-N 2 2 308.410 3.347 20 30 DGEDLP N#CCC[N@H+](Cc1ccccc1)Cc1ccc2c(c1)C[NH2+]CC2 ZINC001204599422 1091005578 /nfs/dbraw/zinc/00/55/78/1091005578.db2.gz ZAIVQRNJWRABFG-UHFFFAOYSA-N 2 2 305.425 3.248 20 30 DGEDLP N#CCC[N@@H+](Cc1ccccc1)Cc1ccc2c(c1)C[NH2+]CC2 ZINC001204599422 1091005583 /nfs/dbraw/zinc/00/55/83/1091005583.db2.gz ZAIVQRNJWRABFG-UHFFFAOYSA-N 2 2 305.425 3.248 20 30 DGEDLP C=CCc1cccc(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3C)C2)c1O ZINC001138631454 1091264448 /nfs/dbraw/zinc/26/44/48/1091264448.db2.gz SOGAEFFJXPITOJ-GOSISDBHSA-N 2 2 324.424 3.477 20 30 DGEDLP C=CCc1cccc(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3C)C2)c1O ZINC001138631454 1091264453 /nfs/dbraw/zinc/26/44/53/1091264453.db2.gz SOGAEFFJXPITOJ-GOSISDBHSA-N 2 2 324.424 3.477 20 30 DGEDLP C=C(C)COc1ccccc1C[NH+]1C[C@H]2C[NH+](CC)C[C@@H]2C1 ZINC001138666613 1091283848 /nfs/dbraw/zinc/28/38/48/1091283848.db2.gz ZWUJHOMUYKHFIW-QZTJIDSGSA-N 2 2 300.446 3.025 20 30 DGEDLP C[N@H+](Cc1ccc(C#N)cc1)Cc1cccc(-n2cc[nH+]c2)c1 ZINC001141242429 1092190649 /nfs/dbraw/zinc/19/06/49/1092190649.db2.gz VLLUWPAZIDVIHY-UHFFFAOYSA-N 2 2 302.381 3.376 20 30 DGEDLP C[N@@H+](Cc1ccc(C#N)cc1)Cc1cccc(-n2cc[nH+]c2)c1 ZINC001141242429 1092190654 /nfs/dbraw/zinc/19/06/54/1092190654.db2.gz VLLUWPAZIDVIHY-UHFFFAOYSA-N 2 2 302.381 3.376 20 30 DGEDLP C=C(C)CC[NH2+][C@H](C)C[C@@H](C)NC(=O)c1c(C)cc(C)[nH+]c1C ZINC001135042950 1094372748 /nfs/dbraw/zinc/37/27/48/1094372748.db2.gz DZSFXQLPVNUHOE-GDBMZVCRSA-N 2 2 317.477 3.460 20 30 DGEDLP C=C(Cl)C[NH2+][C@H](C)C[C@@H](C)NC(=O)c1c(C)cc(C)[nH+]c1C ZINC001135037070 1094375787 /nfs/dbraw/zinc/37/57/87/1094375787.db2.gz FJPCSIBCKJRIBQ-TZMCWYRMSA-N 2 2 323.868 3.246 20 30 DGEDLP C=C(Cl)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1c(C)cc(C)[nH+]c1C ZINC001135037067 1094376216 /nfs/dbraw/zinc/37/62/16/1094376216.db2.gz FJPCSIBCKJRIBQ-GXTWGEPZSA-N 2 2 323.868 3.246 20 30 DGEDLP N#Cc1cccc(C[N@@H+]2CCCC[C@@]3(CCCC[NH2+]C3)C2)c1F ZINC001222171849 1095475733 /nfs/dbraw/zinc/47/57/33/1095475733.db2.gz GFMOBDLUNARKQZ-LJQANCHMSA-N 2 2 315.436 3.443 20 30 DGEDLP N#Cc1cccc(C[N@H+]2CCCC[C@@]3(CCCC[NH2+]C3)C2)c1F ZINC001222171849 1095475736 /nfs/dbraw/zinc/47/57/36/1095475736.db2.gz GFMOBDLUNARKQZ-LJQANCHMSA-N 2 2 315.436 3.443 20 30 DGEDLP Cn1ccc2c1[nH+]ccc2NC(=[NH2+])c1ccc2cc(O)ccc2c1 ZINC001171187012 1095669790 /nfs/dbraw/zinc/66/97/90/1095669790.db2.gz ZHUPSJBIIJIKEI-UHFFFAOYSA-N 2 2 316.364 3.469 20 30 DGEDLP [NH2+]=C(Nc1c[nH+]cc2cc[nH]c21)c1ccc2cc(O)ccc2c1 ZINC001171185315 1095671396 /nfs/dbraw/zinc/67/13/96/1095671396.db2.gz UXZBUZZEJBBIJA-UHFFFAOYSA-N 2 2 302.337 3.459 20 30 DGEDLP Cc1ccc(C[N@@H+]2C[C@H](c3ccccc3)C3(C[NH2+]C3)C2)c(C#N)c1 ZINC001222608703 1095689957 /nfs/dbraw/zinc/68/99/57/1095689957.db2.gz CMBMVNYFERVHCX-HXUWFJFHSA-N 2 2 317.436 3.056 20 30 DGEDLP Cc1ccc(C[N@H+]2C[C@H](c3ccccc3)C3(C[NH2+]C3)C2)c(C#N)c1 ZINC001222608703 1095689962 /nfs/dbraw/zinc/68/99/62/1095689962.db2.gz CMBMVNYFERVHCX-HXUWFJFHSA-N 2 2 317.436 3.056 20 30 DGEDLP Cc1c[nH+]ccc1O[C@H]1CC[N@@H+]([C@@H](C)Cc2cccc(C#N)c2)C1 ZINC001171231405 1095863996 /nfs/dbraw/zinc/86/39/96/1095863996.db2.gz JDZIJDNYGQSBCI-LPHOPBHVSA-N 2 2 321.424 3.346 20 30 DGEDLP Cc1c[nH+]ccc1O[C@H]1CC[N@H+]([C@@H](C)Cc2cccc(C#N)c2)C1 ZINC001171231405 1095864010 /nfs/dbraw/zinc/86/40/10/1095864010.db2.gz JDZIJDNYGQSBCI-LPHOPBHVSA-N 2 2 321.424 3.346 20 30 DGEDLP CCCCCCC[C@H](CC)n1c[nH+]cc1CCNC(=O)CC[NH3+] ZINC001172350506 1097121493 /nfs/dbraw/zinc/12/14/93/1097121493.db2.gz NTJONWGTGMJEOD-INIZCTEOSA-N 2 2 322.497 3.202 20 30 DGEDLP C[C@@H](CCCC#N)[NH2+]C1CC[NH+](Cc2ccc(O)cc2)CC1 ZINC001172488851 1097167288 /nfs/dbraw/zinc/16/72/88/1097167288.db2.gz OUZKQGMKOBWGSH-HNNXBMFYSA-N 2 2 301.434 3.029 20 30 DGEDLP N#Cc1ccc(O)c(C[N@@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)c1 ZINC001232679740 1098113716 /nfs/dbraw/zinc/11/37/16/1098113716.db2.gz RIBGEKBVHGAVBT-GOSISDBHSA-N 2 2 313.445 3.104 20 30 DGEDLP N#Cc1ccc(O)c(C[N@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)c1 ZINC001232679740 1098113717 /nfs/dbraw/zinc/11/37/17/1098113717.db2.gz RIBGEKBVHGAVBT-GOSISDBHSA-N 2 2 313.445 3.104 20 30 DGEDLP C=CCOc1cccc(C[N@@H+]2CCCC[C@]23CCC[NH2+]C3)c1 ZINC001235177249 1098858857 /nfs/dbraw/zinc/85/88/57/1098858857.db2.gz GNQCVZKYNYSLCK-LJQANCHMSA-N 2 2 300.446 3.360 20 30 DGEDLP C=CCOc1cccc(C[N@H+]2CCCC[C@]23CCC[NH2+]C3)c1 ZINC001235177249 1098858868 /nfs/dbraw/zinc/85/88/68/1098858868.db2.gz GNQCVZKYNYSLCK-LJQANCHMSA-N 2 2 300.446 3.360 20 30 DGEDLP C=CCOc1cccc(C[N@@H+]2CCCC[C@@]23CCC[NH2+]C3)c1 ZINC001235177248 1098859098 /nfs/dbraw/zinc/85/90/98/1098859098.db2.gz GNQCVZKYNYSLCK-IBGZPJMESA-N 2 2 300.446 3.360 20 30 DGEDLP C=CCOc1cccc(C[N@H+]2CCCC[C@@]23CCC[NH2+]C3)c1 ZINC001235177248 1098859107 /nfs/dbraw/zinc/85/91/07/1098859107.db2.gz GNQCVZKYNYSLCK-IBGZPJMESA-N 2 2 300.446 3.360 20 30 DGEDLP N#Cc1ccc(Oc2ccc(C[N@H+]3C[C@@H]4CC[C@@]4([NH3+])C3)cc2)cc1 ZINC001235991424 1099315514 /nfs/dbraw/zinc/31/55/14/1099315514.db2.gz LXBDMMQMJGRYNX-FXAWDEMLSA-N 2 2 319.408 3.274 20 30 DGEDLP N#Cc1ccc(Oc2ccc(C[N@@H+]3C[C@@H]4CC[C@@]4([NH3+])C3)cc2)cc1 ZINC001235991424 1099315526 /nfs/dbraw/zinc/31/55/26/1099315526.db2.gz LXBDMMQMJGRYNX-FXAWDEMLSA-N 2 2 319.408 3.274 20 30 DGEDLP C#Cc1ccc(C[NH+]2CCC3(CC2)[NH2+]CCc2ccccc23)cc1 ZINC001237289564 1100062341 /nfs/dbraw/zinc/06/23/41/1100062341.db2.gz QTRVTQSLSXBFDP-UHFFFAOYSA-N 2 2 316.448 3.305 20 30 DGEDLP CC[NH+](CC)C1CC[NH+](Cc2cn(C)c3ccc(C#N)cc23)CC1 ZINC001237470972 1100135656 /nfs/dbraw/zinc/13/56/56/1100135656.db2.gz LVKZFANXBDONHG-UHFFFAOYSA-N 2 2 324.472 3.356 20 30 DGEDLP Cn1c[nH+]cc1-c1ccc(-c2cc(C#N)cc(C3C[NH2+]C3)c2)cc1 ZINC001240355008 1100956065 /nfs/dbraw/zinc/95/60/65/1100956065.db2.gz AGIRFXUARGLYIU-UHFFFAOYSA-N 2 2 314.392 3.313 20 30 DGEDLP N#Cc1cc(-c2cccc(C[N@H+]3CC[C@@H]([NH3+])C3)c2)ccc1Cl ZINC001240403302 1100979204 /nfs/dbraw/zinc/97/92/04/1100979204.db2.gz JGIYURBNTAZTSB-QGZVFWFLSA-N 2 2 311.816 3.412 20 30 DGEDLP N#Cc1cc(-c2cccc(C[N@@H+]3CC[C@@H]([NH3+])C3)c2)ccc1Cl ZINC001240403302 1100979209 /nfs/dbraw/zinc/97/92/09/1100979209.db2.gz JGIYURBNTAZTSB-QGZVFWFLSA-N 2 2 311.816 3.412 20 30 DGEDLP C=C(C)CC[NH2+]C1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)CC1 ZINC001201711752 1102698214 /nfs/dbraw/zinc/69/82/14/1102698214.db2.gz JEEKCHAKDVJVTI-UHFFFAOYSA-N 2 2 315.461 3.167 20 30 DGEDLP N#CC1(c2ccc(-c3ccn4c[nH+]c(C5C[NH2+]C5)c4c3)cc2)CC1 ZINC001243419926 1102712446 /nfs/dbraw/zinc/71/24/46/1102712446.db2.gz FXYDIFQNLNUTMJ-UHFFFAOYSA-N 2 2 314.392 3.243 20 30 DGEDLP CCCCCCCCCC[C@@H](O)C[NH2+]C[C@@H]1C[C@H](F)C[NH2+]1 ZINC001245987828 1104347387 /nfs/dbraw/zinc/34/73/87/1104347387.db2.gz CFVMRQPKFAVOEX-YESZJQIVSA-N 2 2 302.478 3.168 20 30 DGEDLP CCCCCCCC[C@H](O)C[NH2+][C@H](C[NH3+])c1cccc(OC)c1 ZINC001246017840 1104352967 /nfs/dbraw/zinc/35/29/67/1104352967.db2.gz CWGBWXAYVQXPKB-PKOBYXMFSA-N 2 2 322.493 3.396 20 30 DGEDLP C=CCCCCCC[C@H](O)C[NH2+][C@@H](C[NH3+])c1cccc(OC)c1 ZINC001246022486 1104354828 /nfs/dbraw/zinc/35/48/28/1104354828.db2.gz YKJXSGMVQWXPAV-HKUYNNGSSA-N 2 2 320.477 3.172 20 30 DGEDLP CCCCCCC[N@@H+]1CCCC2(CN(CCn3cc[nH+]c3)C2)C1 ZINC001275131678 1104642180 /nfs/dbraw/zinc/64/21/80/1104642180.db2.gz WOSBNWASKVHSGZ-UHFFFAOYSA-N 2 2 318.509 3.251 20 30 DGEDLP CCCCCCC[N@H+]1CCCC2(CN(CCn3cc[nH+]c3)C2)C1 ZINC001275131678 1104642184 /nfs/dbraw/zinc/64/21/84/1104642184.db2.gz WOSBNWASKVHSGZ-UHFFFAOYSA-N 2 2 318.509 3.251 20 30 DGEDLP Cc1c[nH+]ccc1O[C@H]1CC[N@H+](Cc2cccc(C#N)c2F)C1 ZINC001249693388 1105357477 /nfs/dbraw/zinc/35/74/77/1105357477.db2.gz LTFYKDVUNSJVFT-INIZCTEOSA-N 2 2 311.360 3.054 20 30 DGEDLP Cc1c[nH+]ccc1O[C@H]1CC[N@@H+](Cc2cccc(C#N)c2F)C1 ZINC001249693388 1105357485 /nfs/dbraw/zinc/35/74/85/1105357485.db2.gz LTFYKDVUNSJVFT-INIZCTEOSA-N 2 2 311.360 3.054 20 30 DGEDLP Cc1c[nH+]ccc1O[C@@H]1CC[N@H+](Cc2cccc(C#N)c2F)C1 ZINC001249693389 1105357580 /nfs/dbraw/zinc/35/75/80/1105357580.db2.gz LTFYKDVUNSJVFT-MRXNPFEDSA-N 2 2 311.360 3.054 20 30 DGEDLP Cc1c[nH+]ccc1O[C@@H]1CC[N@@H+](Cc2cccc(C#N)c2F)C1 ZINC001249693389 1105357587 /nfs/dbraw/zinc/35/75/87/1105357587.db2.gz LTFYKDVUNSJVFT-MRXNPFEDSA-N 2 2 311.360 3.054 20 30 DGEDLP Cc1c(F)cccc1C[NH+]1CCC([NH2+][C@H]2CC[C@@H](C#N)C2)CC1 ZINC001254649045 1106121552 /nfs/dbraw/zinc/12/15/52/1106121552.db2.gz LXRSXGVDDCZHFX-QAPCUYQASA-N 2 2 315.436 3.380 20 30 DGEDLP N#C[C@@H]1CC[C@@H]([NH+]2CCC([N@@H+]3CCc4ccccc4C3)CC2)C1 ZINC001254670983 1106129436 /nfs/dbraw/zinc/12/94/36/1106129436.db2.gz NJOPAYYSUWAWCI-OXQOHEQNSA-N 2 2 309.457 3.201 20 30 DGEDLP N#C[C@@H]1CC[C@@H]([NH+]2CCC([N@H+]3CCc4ccccc4C3)CC2)C1 ZINC001254670983 1106129437 /nfs/dbraw/zinc/12/94/37/1106129437.db2.gz NJOPAYYSUWAWCI-OXQOHEQNSA-N 2 2 309.457 3.201 20 30 DGEDLP N#Cc1ccc(C2CCC([NH2+]CCCn3cc[nH+]c3)CC2)cc1 ZINC001257008842 1106523376 /nfs/dbraw/zinc/52/33/76/1106523376.db2.gz QLOSMSVTRMSHMJ-UHFFFAOYSA-N 2 2 308.429 3.461 20 30 DGEDLP C=CCC[C@@H](C)N(c1cccc[nH+]1)[C@H]1COC2(C1)CC[NH2+]CC2 ZINC001258727050 1106931399 /nfs/dbraw/zinc/93/13/99/1106931399.db2.gz AZXCZWQBFRCEFV-IAGOWNOFSA-N 2 2 315.461 3.154 20 30 DGEDLP C=CC[NH+]1CCC([NH2+][C@H](CC)c2cccc([N+](=O)[O-])c2)CC1 ZINC000177910692 186202954 /nfs/dbraw/zinc/20/29/54/186202954.db2.gz BQPLLGOYFDNLAC-QGZVFWFLSA-N 2 2 303.406 3.286 20 30 DGEDLP N#Cc1ccc(C[N@H+](Cc2cccc3[nH+]ccn32)C2CC2)cc1 ZINC000179679034 186203754 /nfs/dbraw/zinc/20/37/54/186203754.db2.gz ZFROZVWAOVKMFW-UHFFFAOYSA-N 2 2 302.381 3.371 20 30 DGEDLP N#Cc1ccc(C[N@@H+](Cc2cccc3[nH+]ccn32)C2CC2)cc1 ZINC000179679034 186203756 /nfs/dbraw/zinc/20/37/56/186203756.db2.gz ZFROZVWAOVKMFW-UHFFFAOYSA-N 2 2 302.381 3.371 20 30 DGEDLP N#Cc1c(C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)cn2ccccc12 ZINC000173870978 198263304 /nfs/dbraw/zinc/26/33/04/198263304.db2.gz BEGRZEPBZFOJKG-KRWDZBQOSA-N 2 2 322.456 3.119 20 30 DGEDLP N#Cc1c(C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)cn2ccccc12 ZINC000173870978 198263306 /nfs/dbraw/zinc/26/33/06/198263306.db2.gz BEGRZEPBZFOJKG-KRWDZBQOSA-N 2 2 322.456 3.119 20 30 DGEDLP C=CC[NH+]1CCC([NH2+]Cc2cc3cc(OC)ccc3o2)CC1 ZINC000179304132 199013231 /nfs/dbraw/zinc/01/32/31/199013231.db2.gz BIGFGKSXGUELKF-UHFFFAOYSA-N 2 2 300.402 3.181 20 30 DGEDLP N#Cc1ccc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c(F)c1 ZINC000134887846 432087800 /nfs/dbraw/zinc/08/78/00/432087800.db2.gz KKVVMJKTTJOJOS-APWZRJJASA-N 2 2 313.420 3.146 20 30 DGEDLP N#Cc1ccc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c(F)c1 ZINC000134887846 432087801 /nfs/dbraw/zinc/08/78/01/432087801.db2.gz KKVVMJKTTJOJOS-APWZRJJASA-N 2 2 313.420 3.146 20 30 DGEDLP N#Cc1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c(F)c1 ZINC000134887846 432087805 /nfs/dbraw/zinc/08/78/05/432087805.db2.gz KKVVMJKTTJOJOS-APWZRJJASA-N 2 2 313.420 3.146 20 30 DGEDLP N#Cc1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c(F)c1 ZINC000134887846 432087807 /nfs/dbraw/zinc/08/78/07/432087807.db2.gz KKVVMJKTTJOJOS-APWZRJJASA-N 2 2 313.420 3.146 20 30 DGEDLP CC1(F)CC([NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000449375622 240163171 /nfs/dbraw/zinc/16/31/71/240163171.db2.gz IAKLWFMQRAQCKZ-UHFFFAOYSA-N 2 2 301.409 3.003 20 30 DGEDLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H](C)c2ccc(C#N)cc2)cn1 ZINC000181540521 432134080 /nfs/dbraw/zinc/13/40/80/432134080.db2.gz YKGFUCMKOSJTMI-AWEZNQCLSA-N 2 2 317.396 3.298 20 30 DGEDLP C=C(Br)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000268918866 207084741 /nfs/dbraw/zinc/08/47/41/207084741.db2.gz PVKISXRNINKZLE-BBRMVZONSA-N 2 2 323.278 3.395 20 30 DGEDLP C=C(Br)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000268918866 207084743 /nfs/dbraw/zinc/08/47/43/207084743.db2.gz PVKISXRNINKZLE-BBRMVZONSA-N 2 2 323.278 3.395 20 30 DGEDLP Cc1cc(N2CC[NH+](C)CC2)ccc1[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000193072584 291936531 /nfs/dbraw/zinc/93/65/31/291936531.db2.gz RCQYKLRDMZPYDQ-SJORKVTESA-N 2 2 312.461 3.241 20 30 DGEDLP N#Cc1ccc(CC[NH+]2CCC(CCCn3cc[nH+]c3)CC2)cc1 ZINC000595425683 400145428 /nfs/dbraw/zinc/14/54/28/400145428.db2.gz LCFICJHUNSWBLG-UHFFFAOYSA-N 2 2 322.456 3.490 20 30 DGEDLP CC[NH+]1CCN(c2ccc([NH2+]C[C@H](C)CCC#N)c(C)c2)CC1 ZINC000602494513 400479475 /nfs/dbraw/zinc/47/94/75/400479475.db2.gz PHWHOATZCCATJY-MRXNPFEDSA-N 2 2 314.477 3.489 20 30 DGEDLP COc1cccc([C@H](C[NH2+]C[C@@H](C)CCC#N)[NH+]2CCCC2)c1 ZINC000602501400 400481223 /nfs/dbraw/zinc/48/12/23/400481223.db2.gz GZIGKQPZKQZGMV-LPHOPBHVSA-N 2 2 315.461 3.362 20 30 DGEDLP C[C@H](CC1(C#N)CCOCC1)[NH2+]Cc1ccccc1-n1cc[nH+]c1 ZINC000602521064 400486900 /nfs/dbraw/zinc/48/69/00/400486900.db2.gz LITPCOHOVIMPMX-MRXNPFEDSA-N 2 2 324.428 3.061 20 30 DGEDLP C[C@@H]1C[C@H]([NH2+]Cc2cccc(C#N)n2)CC[N@@H+]1Cc1ccccc1 ZINC000602563869 400496999 /nfs/dbraw/zinc/49/69/99/400496999.db2.gz HNRKVYPQIWRMJF-SJLPKXTDSA-N 2 2 320.440 3.096 20 30 DGEDLP C[C@@H]1C[C@H]([NH2+]Cc2cccc(C#N)n2)CC[N@H+]1Cc1ccccc1 ZINC000602563869 400497002 /nfs/dbraw/zinc/49/70/02/400497002.db2.gz HNRKVYPQIWRMJF-SJLPKXTDSA-N 2 2 320.440 3.096 20 30 DGEDLP C[C@@H]1C[C@H]([NH2+]C2CC[NH+](Cc3cccc(C#N)c3)CC2)CS1 ZINC000602708948 400546820 /nfs/dbraw/zinc/54/68/20/400546820.db2.gz ZQRDLLDDXFLWOM-KDOFPFPSSA-N 2 2 315.486 3.006 20 30 DGEDLP C[C@H]1C[C@@H]([NH2+]C2CC[NH+](Cc3cccc(C#N)c3)CC2)CS1 ZINC000602708946 400546990 /nfs/dbraw/zinc/54/69/90/400546990.db2.gz ZQRDLLDDXFLWOM-KBXCAEBGSA-N 2 2 315.486 3.006 20 30 DGEDLP C=CC[N@H+](Cc1cccc(C#N)c1)Cc1cccc2[nH+]ccn21 ZINC000179856422 400880782 /nfs/dbraw/zinc/88/07/82/400880782.db2.gz ODZNREYFKNLQGA-UHFFFAOYSA-N 2 2 302.381 3.394 20 30 DGEDLP C=CC[N@@H+](Cc1cccc(C#N)c1)Cc1cccc2[nH+]ccn21 ZINC000179856422 400880788 /nfs/dbraw/zinc/88/07/88/400880788.db2.gz ODZNREYFKNLQGA-UHFFFAOYSA-N 2 2 302.381 3.394 20 30 DGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]CC[C@H]3CC3(F)F)CC2)cc1 ZINC000598646333 400848423 /nfs/dbraw/zinc/84/84/23/400848423.db2.gz FLCACQLQDSGEQM-INIZCTEOSA-N 2 2 319.399 3.158 20 30 DGEDLP Cc1ncccc1C[NH2+]C1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593693388 400893139 /nfs/dbraw/zinc/89/31/39/400893139.db2.gz XAGYXQPTPIWVHO-UHFFFAOYSA-N 2 2 320.440 3.016 20 30 DGEDLP C=CC[NH+]1CCC(Nc2ccc3c[nH+]ccc3c2[N+](=O)[O-])CC1 ZINC000599040389 400935619 /nfs/dbraw/zinc/93/56/19/400935619.db2.gz OEXKPLVJNDBBAY-UHFFFAOYSA-N 2 2 312.373 3.205 20 30 DGEDLP COc1ccc[nH+]c1NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000599097069 400958138 /nfs/dbraw/zinc/95/81/38/400958138.db2.gz FEMXSTWWIBBXHC-UHFFFAOYSA-N 2 2 322.412 3.038 20 30 DGEDLP C[C@H]([NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12)c1ccc(C#N)c(F)c1 ZINC000594520900 401098994 /nfs/dbraw/zinc/09/89/94/401098994.db2.gz RFXZUJBMXNETDQ-KKXDTOCCSA-N 2 2 301.409 3.365 20 30 DGEDLP C[C@H]([NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12)c1ccc(C#N)c(F)c1 ZINC000594520900 401098996 /nfs/dbraw/zinc/09/89/96/401098996.db2.gz RFXZUJBMXNETDQ-KKXDTOCCSA-N 2 2 301.409 3.365 20 30 DGEDLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3ccc(C#N)cc3Cl)CC[C@H]21 ZINC000228719930 165390566 /nfs/dbraw/zinc/39/05/66/165390566.db2.gz YGFPSPYVBJCEEI-DOTOQJQBSA-N 2 2 303.837 3.128 20 30 DGEDLP C[N@H+]1CCC[C@H]2C[NH+](Cc3ccc(C#N)cc3Cl)CC[C@H]21 ZINC000228719930 165390570 /nfs/dbraw/zinc/39/05/70/165390570.db2.gz YGFPSPYVBJCEEI-DOTOQJQBSA-N 2 2 303.837 3.128 20 30 DGEDLP C[NH+]1CCC[C@H]2C[N@H+](Cc3ccc(C#N)cc3Cl)CC[C@H]21 ZINC000228719930 165390571 /nfs/dbraw/zinc/39/05/71/165390571.db2.gz YGFPSPYVBJCEEI-DOTOQJQBSA-N 2 2 303.837 3.128 20 30 DGEDLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3ccc(C#N)cc3Cl)CC[C@H]21 ZINC000228719930 165390575 /nfs/dbraw/zinc/39/05/75/165390575.db2.gz YGFPSPYVBJCEEI-DOTOQJQBSA-N 2 2 303.837 3.128 20 30 DGEDLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+]Cc2ccc(C#N)cc2)CC1 ZINC000131072171 196137582 /nfs/dbraw/zinc/13/75/82/196137582.db2.gz LIDHZLLMIFTFFH-MRXNPFEDSA-N 2 2 320.440 3.268 20 30 DGEDLP N#Cc1ccc(C[NH2+]C2CC[NH+](C3CC3)CC2)c(C(F)(F)F)c1 ZINC000352820913 268072329 /nfs/dbraw/zinc/07/23/29/268072329.db2.gz DZRSTNJQVKIJJQ-UHFFFAOYSA-N 2 2 323.362 3.293 20 30 DGEDLP N#Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c(F)c1 ZINC000075834490 431500660 /nfs/dbraw/zinc/50/06/60/431500660.db2.gz IHGVMIHKBBRGOM-INIZCTEOSA-N 2 2 301.409 3.005 20 30 DGEDLP N#Cc1ccc(C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c(F)c1 ZINC000075834490 431500668 /nfs/dbraw/zinc/50/06/68/431500668.db2.gz IHGVMIHKBBRGOM-INIZCTEOSA-N 2 2 301.409 3.005 20 30 DGEDLP C=CCC[C@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)C1CC1 ZINC000120291932 431723258 /nfs/dbraw/zinc/72/32/58/431723258.db2.gz YZBRLRRKHUSDCZ-FQEVSTJZSA-N 2 2 314.473 3.353 20 30 DGEDLP C=CCc1cc(C[N@@H+](C)C2CC[NH+](CC)CC2)cc(OC)c1O ZINC000125227701 431918885 /nfs/dbraw/zinc/91/88/85/431918885.db2.gz KUDDAGCKYFJSFO-UHFFFAOYSA-N 2 2 318.461 3.045 20 30 DGEDLP C=CCc1cc(C[N@H+](C)C2CC[NH+](CC)CC2)cc(OC)c1O ZINC000125227701 431918888 /nfs/dbraw/zinc/91/88/88/431918888.db2.gz KUDDAGCKYFJSFO-UHFFFAOYSA-N 2 2 318.461 3.045 20 30 DGEDLP C[C@@H](c1ccccc1)[NH+]1CCC([NH2+]Cc2ccc(C#N)o2)CC1 ZINC000174402541 432344577 /nfs/dbraw/zinc/34/45/77/432344577.db2.gz AOPATSLCCDXADK-HNNXBMFYSA-N 2 2 309.413 3.466 20 30 DGEDLP N#C[C@H]1CCC[C@@H]([NH2+]CCc2[nH+]ccn2Cc2ccccc2)C1 ZINC000192647429 432396570 /nfs/dbraw/zinc/39/65/70/432396570.db2.gz MWOYISIPLUUPRW-ZWKOTPCHSA-N 2 2 308.429 3.146 20 30 DGEDLP C[NH+](C)[C@H](CNC(=[NH2+])Nc1cc(F)ccc1F)c1ccsc1 ZINC000262305172 432481344 /nfs/dbraw/zinc/48/13/44/432481344.db2.gz RGRAWFMRKIFIPW-CQSZACIVSA-N 2 2 324.400 3.056 20 30 DGEDLP N#Cc1ccc(C[NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)s1 ZINC000176946713 432569586 /nfs/dbraw/zinc/56/95/86/432569586.db2.gz SWNWZTUVIYWEQC-UHFFFAOYSA-N 2 2 308.410 3.154 20 30 DGEDLP C[C@@H]([NH2+]C1CC[NH+](Cc2ccccn2)CC1)c1cccc(C#N)c1 ZINC000178175941 432702866 /nfs/dbraw/zinc/70/28/66/432702866.db2.gz GXKHHKCQAIAFPF-MRXNPFEDSA-N 2 2 320.440 3.268 20 30 DGEDLP N#CCCCOc1cccc(C[NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]23)c1 ZINC000237825635 432801296 /nfs/dbraw/zinc/80/12/96/432801296.db2.gz YBBDRDAQPVRTKI-MOPGFXCFSA-N 2 2 313.445 3.086 20 30 DGEDLP N#CCCCOc1cccc(C[NH2+][C@@H]2CC[N@H+]3CCCC[C@@H]23)c1 ZINC000237825635 432801299 /nfs/dbraw/zinc/80/12/99/432801299.db2.gz YBBDRDAQPVRTKI-MOPGFXCFSA-N 2 2 313.445 3.086 20 30 DGEDLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC(C)(C)CCC#N ZINC000246056621 432875180 /nfs/dbraw/zinc/87/51/80/432875180.db2.gz CXSVWUJSCDIVNV-SJLPKXTDSA-N 2 2 314.477 3.212 20 30 DGEDLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC(C)(C)CCC#N ZINC000246056621 432875182 /nfs/dbraw/zinc/87/51/82/432875182.db2.gz CXSVWUJSCDIVNV-SJLPKXTDSA-N 2 2 314.477 3.212 20 30 DGEDLP CCOc1cccc(/C=[NH+]/CC2CC[NH+](C3CC3)CC2)c1O ZINC000278121349 432885793 /nfs/dbraw/zinc/88/57/93/432885793.db2.gz LWHVWVALGRRSKP-CPNJWEJPSA-N 2 2 302.418 3.084 20 30 DGEDLP Cc1cc(NCc2ccc(C[NH+]3CCCCC3)cc2)c(C#N)c[nH+]1 ZINC000425199103 433122726 /nfs/dbraw/zinc/12/27/26/433122726.db2.gz GJYWFMQIMHPNPN-UHFFFAOYSA-N 2 2 320.440 3.282 20 30 DGEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2ncc(CSC)s2)CC1 ZINC000293440982 433740752 /nfs/dbraw/zinc/74/07/52/433740752.db2.gz BWSKWSUGXKJNCC-UHFFFAOYSA-N 2 2 311.520 3.136 20 30 DGEDLP C=CCOc1cccc(C[NH2+]C[C@H]2CCCn3cc(C)[nH+]c32)c1 ZINC000377830558 434010167 /nfs/dbraw/zinc/01/01/67/434010167.db2.gz FNBHSIBXDHQKKW-QGZVFWFLSA-N 2 2 311.429 3.424 20 30 DGEDLP C[C@H](CC[NH+]1CCC(C)(C#N)CC1)[NH+]1CCC(C)(C#N)CC1 ZINC000408159916 434548801 /nfs/dbraw/zinc/54/88/01/434548801.db2.gz SGOVWLXDNOOMKF-MRXNPFEDSA-N 2 2 302.466 3.016 20 30 DGEDLP C#Cc1ccc(C[NH2+]C2CC[NH+]([C@H](C)c3ccncc3)CC2)cc1 ZINC000368029182 434563008 /nfs/dbraw/zinc/56/30/08/434563008.db2.gz IHJKPZAFFPEAFI-QGZVFWFLSA-N 2 2 319.452 3.378 20 30 DGEDLP C=CC[NH+]1CCC([NH2+]C[C@H](OC(C)C)c2ccccc2)CC1 ZINC000638524893 435046928 /nfs/dbraw/zinc/04/69/28/435046928.db2.gz UPJODGLIZDXXQE-IBGZPJMESA-N 2 2 302.462 3.393 20 30 DGEDLP N#Cc1cccc(C[NH+]2CCC(Nc3cccc[nH+]3)CC2)c1F ZINC000537019526 435420882 /nfs/dbraw/zinc/42/08/82/435420882.db2.gz FGCPHUOSEOWPJE-UHFFFAOYSA-N 2 2 310.376 3.169 20 30 DGEDLP N#Cc1ccc(C[NH+]2CCC(Nc3cccc[nH+]3)CC2)c(F)c1 ZINC000536371995 435378465 /nfs/dbraw/zinc/37/84/65/435378465.db2.gz ZAIKAYNHEZIIAH-UHFFFAOYSA-N 2 2 310.376 3.169 20 30 DGEDLP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)CC3(C#N)CC3)C2)s1 ZINC000515488311 435485358 /nfs/dbraw/zinc/48/53/58/435485358.db2.gz QPZVGYZQZUWUDL-HNNXBMFYSA-N 2 2 303.475 3.114 20 30 DGEDLP Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)CC3(C#N)CC3)C2)s1 ZINC000515488311 435485363 /nfs/dbraw/zinc/48/53/63/435485363.db2.gz QPZVGYZQZUWUDL-HNNXBMFYSA-N 2 2 303.475 3.114 20 30 DGEDLP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)CC3(C#N)CC3)C2)s1 ZINC000515488311 435485367 /nfs/dbraw/zinc/48/53/67/435485367.db2.gz QPZVGYZQZUWUDL-HNNXBMFYSA-N 2 2 303.475 3.114 20 30 DGEDLP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)CC3(C#N)CC3)C2)s1 ZINC000515488311 435485375 /nfs/dbraw/zinc/48/53/75/435485375.db2.gz QPZVGYZQZUWUDL-HNNXBMFYSA-N 2 2 303.475 3.114 20 30 DGEDLP C#C[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1ccc(F)cc1 ZINC000491228584 435717927 /nfs/dbraw/zinc/71/79/27/435717927.db2.gz AUSXKOXXLIEIJA-IBGZPJMESA-N 2 2 305.356 3.476 20 30 DGEDLP C#C[C@@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)c1ccc(F)cc1 ZINC000491734601 435801506 /nfs/dbraw/zinc/80/15/06/435801506.db2.gz SGDVNATWSGGDEA-GOSISDBHSA-N 2 2 309.388 3.154 20 30 DGEDLP C=CCOCCC[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000657658744 436271396 /nfs/dbraw/zinc/27/13/96/436271396.db2.gz CBEZWURSKBTCOS-UHFFFAOYSA-N 2 2 322.880 3.487 20 30 DGEDLP N#C[C@@H]1CCC[C@H]([NH2+][C@H]2C[NH2+]CC[C@@H]2c2ccc(F)c(F)c2)C1 ZINC000423361025 303159631 /nfs/dbraw/zinc/15/96/31/303159631.db2.gz GKQCLPGTIDUPDQ-PXMRGAAZSA-N 2 2 319.399 3.082 20 30 DGEDLP C=CC[NH+]1CCC([NH2+][C@H](C)c2cncc(Br)c2)CC1 ZINC000583823692 337337128 /nfs/dbraw/zinc/33/71/28/337337128.db2.gz FBBKYCPRLIDEIC-GFCCVEGCSA-N 2 2 324.266 3.145 20 30 DGEDLP c1cn2c([nH+]1)C[C@@H]([NH+]=C(Nc1ccccc1)N1CCCCC1)CC2 ZINC000262450923 337618295 /nfs/dbraw/zinc/61/82/95/337618295.db2.gz FIGWDZJTLFGNKW-KRWDZBQOSA-N 2 2 323.444 3.152 20 30 DGEDLP C=CC[C@H](C)[C@@H](C)[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000248827551 341387824 /nfs/dbraw/zinc/38/78/24/341387824.db2.gz KQXZGOIJDOXJHY-NSHGMRRFSA-N 2 2 316.489 3.468 20 30 DGEDLP C=CC[C@H](C)[C@@H](C)[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000248827551 341387825 /nfs/dbraw/zinc/38/78/25/341387825.db2.gz KQXZGOIJDOXJHY-NSHGMRRFSA-N 2 2 316.489 3.468 20 30 DGEDLP CC[C@H](CC#N)[NH2+]Cc1cc(C[NH2+][C@@H](CC)CC#N)ccc1F ZINC000567121351 341581508 /nfs/dbraw/zinc/58/15/08/341581508.db2.gz CGLLFYPUEKTQMM-DLBZAZTESA-N 2 2 316.424 3.389 20 30 DGEDLP N#CC1(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)CC1 ZINC000347425578 534550550 /nfs/dbraw/zinc/55/05/50/534550550.db2.gz LCBYVVQUBMGYFX-OALUTQOASA-N 2 2 309.457 3.277 20 30 DGEDLP N#CC1(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)CC1 ZINC000347425578 534550555 /nfs/dbraw/zinc/55/05/55/534550555.db2.gz LCBYVVQUBMGYFX-OALUTQOASA-N 2 2 309.457 3.277 20 30 DGEDLP N#CC1(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)CC1 ZINC000347425578 534550561 /nfs/dbraw/zinc/55/05/61/534550561.db2.gz LCBYVVQUBMGYFX-OALUTQOASA-N 2 2 309.457 3.277 20 30 DGEDLP N#CC1(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)CC1 ZINC000347425578 534550566 /nfs/dbraw/zinc/55/05/66/534550566.db2.gz LCBYVVQUBMGYFX-OALUTQOASA-N 2 2 309.457 3.277 20 30 DGEDLP C=C[C@@H]1OCCC[C@H]1[NH2+][C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000449545929 534576645 /nfs/dbraw/zinc/57/66/45/534576645.db2.gz AHHSOHINJPCRAE-LULLPPNCSA-N 2 2 300.446 3.145 20 30 DGEDLP C=C[C@@H]1OCCC[C@H]1[NH2+][C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000449545929 534576660 /nfs/dbraw/zinc/57/66/60/534576660.db2.gz AHHSOHINJPCRAE-LULLPPNCSA-N 2 2 300.446 3.145 20 30 DGEDLP C=CC[N@@H+](CCc1ccccc1)Cc1ncc(C[NH+](C)C)s1 ZINC000347856605 526313922 /nfs/dbraw/zinc/31/39/22/526313922.db2.gz SFYXIYPOWAMHGX-UHFFFAOYSA-N 2 2 315.486 3.435 20 30 DGEDLP C=CC[N@H+](CCc1ccccc1)Cc1ncc(C[NH+](C)C)s1 ZINC000347856605 526313930 /nfs/dbraw/zinc/31/39/30/526313930.db2.gz SFYXIYPOWAMHGX-UHFFFAOYSA-N 2 2 315.486 3.435 20 30 DGEDLP C=CCCC[C@@H](C)[N@H+](C)C[C@@H]1CCC[NH+](C)[C@H]1c1cnn(C)c1 ZINC000434734779 527249804 /nfs/dbraw/zinc/24/98/04/527249804.db2.gz ABPPFZOSSREKDO-ZIFCJYIRSA-N 2 2 318.509 3.480 20 30 DGEDLP C=CCCC[C@@H](C)[N@@H+](C)C[C@@H]1CCC[NH+](C)[C@H]1c1cnn(C)c1 ZINC000434734779 527249812 /nfs/dbraw/zinc/24/98/12/527249812.db2.gz ABPPFZOSSREKDO-ZIFCJYIRSA-N 2 2 318.509 3.480 20 30 DGEDLP C=CCCC[C@@H](C)[NH+](C)C[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1 ZINC000434734779 527249817 /nfs/dbraw/zinc/24/98/17/527249817.db2.gz ABPPFZOSSREKDO-ZIFCJYIRSA-N 2 2 318.509 3.480 20 30 DGEDLP C=CCCC[C@@H](C)[NH+](C)C[C@@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1 ZINC000434734779 527249826 /nfs/dbraw/zinc/24/98/26/527249826.db2.gz ABPPFZOSSREKDO-ZIFCJYIRSA-N 2 2 318.509 3.480 20 30 DGEDLP C=CC[NH+](CC=C)[C@H](C[NH2+][C@@H](C)C1CC[NH+](C)CC1)C(C)C ZINC000152073665 545999853 /nfs/dbraw/zinc/99/98/53/545999853.db2.gz RKAOSSXTWYAIAN-PKOBYXMFSA-N 3 2 307.526 3.005 20 30 DGEDLP C[NH+](C)C1(CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)CCCCCC1 ZINC000329377940 546485880 /nfs/dbraw/zinc/48/58/80/546485880.db2.gz OUXNDTARNCDCHB-OAHLLOKOSA-N 2 2 318.465 3.057 20 30 DGEDLP C#CCOc1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000733322819 574615386 /nfs/dbraw/zinc/61/53/86/574615386.db2.gz FLJAFJDEVBWDLV-FQEVSTJZSA-N 2 2 320.436 3.063 20 30 DGEDLP C#CCOc1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000733322819 574615388 /nfs/dbraw/zinc/61/53/88/574615388.db2.gz FLJAFJDEVBWDLV-FQEVSTJZSA-N 2 2 320.436 3.063 20 30 DGEDLP C#CCOc1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000733322824 574615584 /nfs/dbraw/zinc/61/55/84/574615584.db2.gz FLJAFJDEVBWDLV-HXUWFJFHSA-N 2 2 320.436 3.063 20 30 DGEDLP C#CCOc1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000733322824 574615585 /nfs/dbraw/zinc/61/55/85/574615585.db2.gz FLJAFJDEVBWDLV-HXUWFJFHSA-N 2 2 320.436 3.063 20 30 DGEDLP C#CCOc1ccccc1C[NH2+]C[C@@H](c1ccc(C)cc1)[NH+](C)C ZINC000742731466 575015769 /nfs/dbraw/zinc/01/57/69/575015769.db2.gz YGDIUBPGHSHLFS-FQEVSTJZSA-N 2 2 322.452 3.400 20 30 DGEDLP CC[C@H](CO[NH+]=C(N)c1ccc(C[NH+](C)C)cc1)CC(F)F ZINC000853674089 620723545 /nfs/dbraw/zinc/72/35/45/620723545.db2.gz RBHINACCDJBIGJ-LBPRGKRZSA-N 2 2 313.392 3.067 20 30 DGEDLP CC(C)CC[NH+]1CCC([NH2+]Cc2cc(C#N)ccc2F)CC1 ZINC000925474765 620773852 /nfs/dbraw/zinc/77/38/52/620773852.db2.gz KIHCVSPMIQLWFL-UHFFFAOYSA-N 2 2 303.425 3.297 20 30 DGEDLP C[C@@H](CCC#N)C[NH2+]c1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000895646727 618810047 /nfs/dbraw/zinc/81/00/47/618810047.db2.gz IUJSBBVTPFNAPP-QFBILLFUSA-N 2 2 312.461 3.323 20 30 DGEDLP C[C@@H](CCC#N)C[NH2+]c1ccc(N2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000895646727 618810048 /nfs/dbraw/zinc/81/00/48/618810048.db2.gz IUJSBBVTPFNAPP-QFBILLFUSA-N 2 2 312.461 3.323 20 30 DGEDLP CC[C@H]([NH2+]C[C@H](C)C[NH+]1CCCC1)c1cccc(C#N)c1O ZINC000924716890 619264722 /nfs/dbraw/zinc/26/47/22/619264722.db2.gz ROYNOCTUDHGCNR-YOEHRIQHSA-N 2 2 301.434 3.036 20 30 DGEDLP C#CCOc1ccccc1C[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000760841782 621968491 /nfs/dbraw/zinc/96/84/91/621968491.db2.gz ZFGQCRMCUWDSMA-SFHVURJKSA-N 2 2 300.446 3.005 20 30 DGEDLP C#CCOc1ccccc1C[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000760841782 621968493 /nfs/dbraw/zinc/96/84/93/621968493.db2.gz ZFGQCRMCUWDSMA-SFHVURJKSA-N 2 2 300.446 3.005 20 30 DGEDLP C#CCOc1ccccc1C[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000760841782 621968496 /nfs/dbraw/zinc/96/84/96/621968496.db2.gz ZFGQCRMCUWDSMA-SFHVURJKSA-N 2 2 300.446 3.005 20 30 DGEDLP C#CCOc1ccccc1C[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000760841782 621968497 /nfs/dbraw/zinc/96/84/97/621968497.db2.gz ZFGQCRMCUWDSMA-SFHVURJKSA-N 2 2 300.446 3.005 20 30 DGEDLP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@@H](C)c1cccc(C#N)c1O ZINC000866212679 622067275 /nfs/dbraw/zinc/06/72/75/622067275.db2.gz UXACFQYWGSBUHM-CABCVRRESA-N 2 2 303.450 3.425 20 30 DGEDLP C[C@@H]([NH2+]CCC[N@@H+]1CCCC[C@@H]1C)c1cccc(C#N)c1O ZINC000866218334 622068422 /nfs/dbraw/zinc/06/84/22/622068422.db2.gz NEQHABAFCXLSBG-LSDHHAIUSA-N 2 2 301.434 3.179 20 30 DGEDLP C[C@@H]([NH2+]CCC[N@H+]1CCCC[C@@H]1C)c1cccc(C#N)c1O ZINC000866218334 622068423 /nfs/dbraw/zinc/06/84/23/622068423.db2.gz NEQHABAFCXLSBG-LSDHHAIUSA-N 2 2 301.434 3.179 20 30 DGEDLP CC(C)C[NH+]1CCC([NH2+][C@H](C)c2cccc(C#N)c2O)CC1 ZINC000866227395 622070343 /nfs/dbraw/zinc/07/03/43/622070343.db2.gz ZPLKPVKCQDWXRR-CQSZACIVSA-N 2 2 301.434 3.035 20 30 DGEDLP CC[C@H](CC#N)[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000762795159 622099027 /nfs/dbraw/zinc/09/90/27/622099027.db2.gz QPFPQHQTNPMKSH-OAHLLOKOSA-N 2 2 300.450 3.003 20 30 DGEDLP C#C[C@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)CC1 ZINC000872140682 622831212 /nfs/dbraw/zinc/83/12/12/622831212.db2.gz VTVROMCVHCLBER-SOAMZJECSA-N 2 2 311.473 3.074 20 30 DGEDLP C#C[C@H]1CC[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)CC1 ZINC000872140682 622831220 /nfs/dbraw/zinc/83/12/20/622831220.db2.gz VTVROMCVHCLBER-SOAMZJECSA-N 2 2 311.473 3.074 20 30 DGEDLP C[C@H]([NH2+]C[C@H]1CCC(C)(C)C[NH2+]1)c1ccc(OCC#N)cc1 ZINC000873238087 623086542 /nfs/dbraw/zinc/08/65/42/623086542.db2.gz WZYVIAVCHRVASM-GOEBONIOSA-N 2 2 301.434 3.018 20 30 DGEDLP C[C@H](Cc1ccco1)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000776153826 623383613 /nfs/dbraw/zinc/38/36/13/623383613.db2.gz FNZKDVWHPYEMNC-MRXNPFEDSA-N 2 2 323.440 3.336 20 30 DGEDLP CN(C)c1cc[nH+]cc1C=[NH+]Nc1ccc(OC(F)(F)F)cc1 ZINC000776184975 623391419 /nfs/dbraw/zinc/39/14/19/623391419.db2.gz CFABFYXGGFZKPR-UHFFFAOYSA-N 2 2 324.306 3.492 20 30 DGEDLP CCCCCCCCC[NH+]1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000792257015 625930905 /nfs/dbraw/zinc/93/09/05/625930905.db2.gz YKAGYNDABNAPPN-GOSISDBHSA-N 2 2 323.525 3.151 20 30 DGEDLP CCCCCCCCC[NH+]1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000792257015 625930912 /nfs/dbraw/zinc/93/09/12/625930912.db2.gz YKAGYNDABNAPPN-GOSISDBHSA-N 2 2 323.525 3.151 20 30 DGEDLP C[NH+](C)C1CCN(c2ccc([NH2+][C@@H]3CC[C@@H](C#N)C3)cc2)CC1 ZINC000799723087 626324307 /nfs/dbraw/zinc/32/43/07/626324307.db2.gz ZCAHZESCRKVPOZ-NVXWUHKLSA-N 2 2 312.461 3.321 20 30 DGEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2cc(C)cc(OC)c2OC)CC1 ZINC000885972532 627073761 /nfs/dbraw/zinc/07/37/61/627073761.db2.gz FGNBTALFQLCSBL-UHFFFAOYSA-N 2 2 318.461 3.142 20 30 DGEDLP C(#Cc1ccccc1)C[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000812835279 627427832 /nfs/dbraw/zinc/42/78/32/627427832.db2.gz OURGEEUNVKTDLZ-UHFFFAOYSA-N 2 2 318.464 3.335 20 30 DGEDLP CCC[N@@H+]1CC[C@H](C[NH2+][C@H](CC)c2cccc(C#N)c2O)C1 ZINC000924754023 627676468 /nfs/dbraw/zinc/67/64/68/627676468.db2.gz RVAVUIRYZZUGSN-RHSMWYFYSA-N 2 2 301.434 3.036 20 30 DGEDLP CCC[N@H+]1CC[C@H](C[NH2+][C@H](CC)c2cccc(C#N)c2O)C1 ZINC000924754023 627676471 /nfs/dbraw/zinc/67/64/71/627676471.db2.gz RVAVUIRYZZUGSN-RHSMWYFYSA-N 2 2 301.434 3.036 20 30 DGEDLP C#CC[N@@H+](C)CCC[NH2+][C@H](C)c1cc(C)ccc1OC(F)F ZINC000815652327 627695119 /nfs/dbraw/zinc/69/51/19/627695119.db2.gz YMRAZKGYPYFBTC-CQSZACIVSA-N 2 2 310.388 3.202 20 30 DGEDLP C#CC[N@H+](C)CCC[NH2+][C@H](C)c1cc(C)ccc1OC(F)F ZINC000815652327 627695120 /nfs/dbraw/zinc/69/51/20/627695120.db2.gz YMRAZKGYPYFBTC-CQSZACIVSA-N 2 2 310.388 3.202 20 30 DGEDLP CC[C@@H]([NH2+]Cc1ccc(SC)c(C#N)c1)[C@@H]1CCCC[NH2+]1 ZINC000925773962 627793088 /nfs/dbraw/zinc/79/30/88/627793088.db2.gz QSBQGGIYVVHPLE-CVEARBPZSA-N 2 2 303.475 3.290 20 30 DGEDLP CC[C@H]([NH2+]CC[C@@H]1CCC[N@H+](C)C1)c1cccc(C#N)c1O ZINC000926573260 627916473 /nfs/dbraw/zinc/91/64/73/627916473.db2.gz KNWXIVMQOIUNOZ-YOEHRIQHSA-N 2 2 301.434 3.036 20 30 DGEDLP CC[C@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1cccc(C#N)c1O ZINC000926573260 627916476 /nfs/dbraw/zinc/91/64/76/627916476.db2.gz KNWXIVMQOIUNOZ-YOEHRIQHSA-N 2 2 301.434 3.036 20 30 DGEDLP CC[C@@H]([NH2+]C[C@@H]([NH3+])c1ccc(N(C)C)cc1)c1ccc(C#N)cc1 ZINC000817944192 627969973 /nfs/dbraw/zinc/96/99/73/627969973.db2.gz YAFFZHJCNLAGRT-WOJBJXKFSA-N 2 2 322.456 3.365 20 30 DGEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2c(O)cc(C)cc2Cl)CC1 ZINC000840894826 630373678 /nfs/dbraw/zinc/37/36/78/630373678.db2.gz VSZRYMLGSNJEGS-UHFFFAOYSA-N 2 2 308.853 3.484 20 30 DGEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)c2ccc3c(c2)CCCO3)CC1 ZINC000850432366 632151026 /nfs/dbraw/zinc/15/10/26/632151026.db2.gz ALMPMPLVRFUPHR-HNNXBMFYSA-N 2 2 300.446 3.313 20 30 DGEDLP C=CCC[NH+]1CCC(CNC(=O)c2c(C)cc(C)[nH+]c2C)CC1 ZINC001001663070 660455735 /nfs/dbraw/zinc/45/57/35/660455735.db2.gz FUCWUWLBEXQKKF-UHFFFAOYSA-N 2 2 315.461 3.025 20 30 DGEDLP C=C(C)C[NH+]1CCC(CNC(=O)c2c(C)cc(C)[nH+]c2C)CC1 ZINC001001663169 660455768 /nfs/dbraw/zinc/45/57/68/660455768.db2.gz GTASPHRWTHJAQE-UHFFFAOYSA-N 2 2 315.461 3.025 20 30 DGEDLP C#CCCOc1ccc(C[NH2+]CCCNc2cccc[nH+]2)cc1 ZINC000177589275 655933947 /nfs/dbraw/zinc/93/39/47/655933947.db2.gz NWQIDAHJPWSZKB-UHFFFAOYSA-N 2 2 309.413 3.076 20 30 DGEDLP C=C(C)C[N@@H+](C)[C@H]1CCCN(C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001027501295 656320838 /nfs/dbraw/zinc/32/08/38/656320838.db2.gz VLCQXJNUIYNKIP-KRWDZBQOSA-N 2 2 315.461 3.119 20 30 DGEDLP C=C(C)C[N@H+](C)[C@H]1CCCN(C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001027501295 656320839 /nfs/dbraw/zinc/32/08/39/656320839.db2.gz VLCQXJNUIYNKIP-KRWDZBQOSA-N 2 2 315.461 3.119 20 30 DGEDLP C=C(Cl)C[C@H]([NH3+])C(=O)Nc1ccc(-c2[nH]c(C)c(C)[nH+]2)cc1 ZINC001349887043 1179972068 /nfs/dbraw/zinc/97/20/68/1179972068.db2.gz ZKTSQFPITYPTDX-AWEZNQCLSA-N 2 2 318.808 3.102 20 30 DGEDLP N#CCc1ccc(C[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)cc1 ZINC001474192123 1183880240 /nfs/dbraw/zinc/88/02/40/1183880240.db2.gz LRBIJWQREVYPLQ-UHFFFAOYSA-N 2 2 308.410 3.290 20 30 DGEDLP C=CCCC[NH2+]C[C@@H]1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001567132842 1190037847 /nfs/dbraw/zinc/03/78/47/1190037847.db2.gz NGWOETFMWLDBKW-KRWDZBQOSA-N 2 2 315.461 3.025 20 30 DGEDLP C=CCC[C@H](C)[NH2+]CCCN(C)C(=O)c1c(C)cc(C)[nH+]c1C ZINC001569224392 1190654255 /nfs/dbraw/zinc/65/42/55/1190654255.db2.gz LFUQHGONBSEWKF-HNNXBMFYSA-N 2 2 317.477 3.413 20 30 DGEDLP C=C(C)C[NH2+]C[C@H]1CCC[C@@H]1NC(=O)c1c(C)cc(C)[nH+]c1C ZINC001716065347 1203438050 /nfs/dbraw/zinc/43/80/50/1203438050.db2.gz MHGSKDKHRDIRAI-SJORKVTESA-N 2 2 315.461 3.071 20 30 DGEDLP C=C(C)CC[N@@H+](C)C[C@@H](C)NC(=O)c1c(C)cc(C)[nH+]c1C ZINC001733047220 1204999061 /nfs/dbraw/zinc/99/90/61/1204999061.db2.gz UCIKETSYAZWMKU-OAHLLOKOSA-N 2 2 303.450 3.023 20 30 DGEDLP C=C(C)CC[N@H+](C)C[C@@H](C)NC(=O)c1c(C)cc(C)[nH+]c1C ZINC001733047220 1204999063 /nfs/dbraw/zinc/99/90/63/1204999063.db2.gz UCIKETSYAZWMKU-OAHLLOKOSA-N 2 2 303.450 3.023 20 30 DGEDLP C[N@@H+]1CCC[C@H]2C[NH+](C3CCC(C#N)(c4ccccc4)CC3)C[C@@H]21 ZINC001170398439 1082361625 /nfs/dbraw/zinc/36/16/25/1082361625.db2.gz PYKDZFCRAJATOY-AFVILVPDSA-N 2 2 323.484 3.417 20 30 DGEDLP C[N@H+]1CCC[C@H]2C[NH+](C3CCC(C#N)(c4ccccc4)CC3)C[C@@H]21 ZINC001170398439 1082361628 /nfs/dbraw/zinc/36/16/28/1082361628.db2.gz PYKDZFCRAJATOY-AFVILVPDSA-N 2 2 323.484 3.417 20 30 DGEDLP C[NH+]1CCC[C@H]2C[N@@H+](C3CCC(C#N)(c4ccccc4)CC3)C[C@@H]21 ZINC001170398439 1082361632 /nfs/dbraw/zinc/36/16/32/1082361632.db2.gz PYKDZFCRAJATOY-AFVILVPDSA-N 2 2 323.484 3.417 20 30 DGEDLP C[NH+]1CCC[C@H]2C[N@H+](C3CCC(C#N)(c4ccccc4)CC3)C[C@@H]21 ZINC001170398439 1082361637 /nfs/dbraw/zinc/36/16/37/1082361637.db2.gz PYKDZFCRAJATOY-AFVILVPDSA-N 2 2 323.484 3.417 20 30 DGEDLP C[N@H+](C1CC[NH+](C)CC1)C1CCC(C#N)(c2ccccc2)CC1 ZINC001170375973 1082362256 /nfs/dbraw/zinc/36/22/56/1082362256.db2.gz IWNPCOUPWDOGAS-UHFFFAOYSA-N 2 2 311.473 3.417 20 30 DGEDLP C[N@@H+](C1CC[NH+](C)CC1)C1CCC(C#N)(c2ccccc2)CC1 ZINC001170375973 1082362265 /nfs/dbraw/zinc/36/22/65/1082362265.db2.gz IWNPCOUPWDOGAS-UHFFFAOYSA-N 2 2 311.473 3.417 20 30 DGEDLP C=C(C)CC[NH2+][C@H](C)C[C@H](C)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001134736324 1083325904 /nfs/dbraw/zinc/32/59/04/1083325904.db2.gz CKCZRYUZIKKALL-KGLIPLIRSA-N 2 2 314.433 3.016 20 30 DGEDLP C=CCOCCC[NH2+][C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2)C1 ZINC001182919283 1083829297 /nfs/dbraw/zinc/82/92/97/1083829297.db2.gz YTHCMIKGMINMRN-PKOBYXMFSA-N 2 2 302.462 3.079 20 30 DGEDLP C=CCOCCC[NH2+][C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2)C1 ZINC001182919283 1083829301 /nfs/dbraw/zinc/82/93/01/1083829301.db2.gz YTHCMIKGMINMRN-PKOBYXMFSA-N 2 2 302.462 3.079 20 30 DGEDLP C=C(C)C[N@@H+]1CC[C@H](CCNC(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001481442181 1083921263 /nfs/dbraw/zinc/92/12/63/1083921263.db2.gz WPRLLZNXGHTAMZ-KRWDZBQOSA-N 2 2 315.461 3.025 20 30 DGEDLP C=C(C)C[N@H+]1CC[C@H](CCNC(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001481442181 1083921268 /nfs/dbraw/zinc/92/12/68/1083921268.db2.gz WPRLLZNXGHTAMZ-KRWDZBQOSA-N 2 2 315.461 3.025 20 30 DGEDLP C[NH+]1CCC(N(c2[nH+]ccc3[nH]cc(C#N)c32)C2CCCC2)CC1 ZINC001158488036 1087860917 /nfs/dbraw/zinc/86/09/17/1087860917.db2.gz URJKBLSYPPPMFV-UHFFFAOYSA-N 2 2 323.444 3.278 20 30 DGEDLP C=CC[NH2+]C[C@@H](CCCC)NC(=O)c1c(C)cc(C)[nH+]c1C ZINC001485466790 1090167313 /nfs/dbraw/zinc/16/73/13/1090167313.db2.gz UGJFRPMMKNTDRJ-MRXNPFEDSA-N 2 2 303.450 3.071 20 30 DGEDLP N#Cc1cccc(C[NH+]2C[C@@H]3C[NH+](Cc4cccs4)C[C@H]3C2)c1 ZINC001203757665 1090797553 /nfs/dbraw/zinc/79/75/53/1090797553.db2.gz NEAXQPMSWCBXLA-QZTJIDSGSA-N 2 2 323.465 3.184 20 30 DGEDLP CN(c1ccc(C#N)cc1)c1ccc(C[N@@H+]2CCC[C@H]([NH3+])C2)cc1 ZINC001204877192 1091052320 /nfs/dbraw/zinc/05/23/20/1091052320.db2.gz CDYTVVVZUYMTIZ-SFHVURJKSA-N 2 2 320.440 3.249 20 30 DGEDLP CN(c1ccc(C#N)cc1)c1ccc(C[N@H+]2CCC[C@H]([NH3+])C2)cc1 ZINC001204877192 1091052322 /nfs/dbraw/zinc/05/23/22/1091052322.db2.gz CDYTVVVZUYMTIZ-SFHVURJKSA-N 2 2 320.440 3.249 20 30 DGEDLP Cc1c[nH+]c2n1CCC21CC[NH+](Cc2cc(C#N)ccc2F)CC1 ZINC001139646902 1091634365 /nfs/dbraw/zinc/63/43/65/1091634365.db2.gz AOJYQNBCNAETRV-UHFFFAOYSA-N 2 2 324.403 3.140 20 30 DGEDLP Cc1c[nH+]ccc1O[C@H]1CC[N@H+](Cc2cc(F)cc(C#N)c2)C1 ZINC001139879305 1091701165 /nfs/dbraw/zinc/70/11/65/1091701165.db2.gz JLPDFGWUPIVPJN-KRWDZBQOSA-N 2 2 311.360 3.054 20 30 DGEDLP Cc1c[nH+]ccc1O[C@H]1CC[N@@H+](Cc2cc(F)cc(C#N)c2)C1 ZINC001139879305 1091701172 /nfs/dbraw/zinc/70/11/72/1091701172.db2.gz JLPDFGWUPIVPJN-KRWDZBQOSA-N 2 2 311.360 3.054 20 30 DGEDLP Cc1c[nH+]ccc1O[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC001140139661 1091780769 /nfs/dbraw/zinc/78/07/69/1091780769.db2.gz HLRAYNBLZLBZEQ-MRXNPFEDSA-N 2 2 311.360 3.054 20 30 DGEDLP Cc1c[nH+]ccc1O[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC001140139661 1091780772 /nfs/dbraw/zinc/78/07/72/1091780772.db2.gz HLRAYNBLZLBZEQ-MRXNPFEDSA-N 2 2 311.360 3.054 20 30 DGEDLP C[N@H+](Cc1ccc(C#N)nc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC001140539983 1091901739 /nfs/dbraw/zinc/90/17/39/1091901739.db2.gz GCZBCMBFHHKRSZ-UHFFFAOYSA-N 2 2 320.440 3.050 20 30 DGEDLP C[N@@H+](Cc1ccc(C#N)nc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC001140539983 1091901745 /nfs/dbraw/zinc/90/17/45/1091901745.db2.gz GCZBCMBFHHKRSZ-UHFFFAOYSA-N 2 2 320.440 3.050 20 30 DGEDLP N#CCOc1cccc(C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000113347259 1095155667 /nfs/dbraw/zinc/15/56/67/1095155667.db2.gz TYLOHRVTIMIXCO-UHFFFAOYSA-N 2 2 318.380 3.064 20 30 DGEDLP Cc1cccc(NC[C@H]2CCC[N@@H+]2CC#Cc2ccc(F)cc2)[nH+]1 ZINC001116346710 1095520726 /nfs/dbraw/zinc/52/07/26/1095520726.db2.gz YFZMFQUPYOJSOH-LJQANCHMSA-N 2 2 323.415 3.457 20 30 DGEDLP Cc1cccc(NC[C@H]2CCC[N@H+]2CC#Cc2ccc(F)cc2)[nH+]1 ZINC001116346710 1095520731 /nfs/dbraw/zinc/52/07/31/1095520731.db2.gz YFZMFQUPYOJSOH-LJQANCHMSA-N 2 2 323.415 3.457 20 30 DGEDLP Cc1[nH+]cn([C@H](C)Cc2cccc(C#N)c2)c1CSCC[NH3+] ZINC001171184144 1095663397 /nfs/dbraw/zinc/66/33/97/1095663397.db2.gz KJFPVAHHXUZYJE-CYBMUJFWSA-N 2 2 314.458 3.059 20 30 DGEDLP C#Cc1ccc(C[NH+]2C[C@H]3C[NH+](Cc4cccs4)C[C@@H]3C2)cc1 ZINC001144569652 1095720036 /nfs/dbraw/zinc/72/00/36/1095720036.db2.gz WFDOARYRBOVAJT-OALUTQOASA-N 2 2 322.477 3.293 20 30 DGEDLP C[C@@H](CCCC#N)[NH2+][C@@H](C[NH3+])c1ccc(Br)cc1 ZINC001172490067 1097167170 /nfs/dbraw/zinc/16/71/70/1097167170.db2.gz VEDWGYYNMZALDD-FZMZJTMJSA-N 2 2 310.239 3.121 20 30 DGEDLP C[C@H](CCCC#N)[N@@H+]1CC[C@@H]2[C@@H](CC[NH+]2Cc2nccs2)C1 ZINC001172500119 1097172088 /nfs/dbraw/zinc/17/20/88/1097172088.db2.gz WYAQEBMZIGBHON-OWCLPIDISA-N 2 2 318.490 3.122 20 30 DGEDLP C[C@H](CCCC#N)[N@H+]1CC[C@@H]2[C@@H](CC[NH+]2Cc2nccs2)C1 ZINC001172500119 1097172090 /nfs/dbraw/zinc/17/20/90/1097172090.db2.gz WYAQEBMZIGBHON-OWCLPIDISA-N 2 2 318.490 3.122 20 30 DGEDLP C[C@H](CCCC#N)[NH+]1CC[C@@H]2[C@@H](CC[N@@H+]2Cc2nccs2)C1 ZINC001172500119 1097172093 /nfs/dbraw/zinc/17/20/93/1097172093.db2.gz WYAQEBMZIGBHON-OWCLPIDISA-N 2 2 318.490 3.122 20 30 DGEDLP C[C@H](CCCC#N)[NH+]1CC[C@@H]2[C@@H](CC[N@H+]2Cc2nccs2)C1 ZINC001172500119 1097172096 /nfs/dbraw/zinc/17/20/96/1097172096.db2.gz WYAQEBMZIGBHON-OWCLPIDISA-N 2 2 318.490 3.122 20 30 DGEDLP CCSC[C@H](C)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC001173290671 1097415889 /nfs/dbraw/zinc/41/58/89/1097415889.db2.gz FKUVYHUUAFQUNW-HNNXBMFYSA-N 2 2 317.502 3.254 20 30 DGEDLP Cc1ccc(N(C2CC[NH2+]CC2)C2CCC(C)(C#N)CC2)[nH+]c1 ZINC001173597041 1097467832 /nfs/dbraw/zinc/46/78/32/1097467832.db2.gz KGWLQACQOAQPPB-UHFFFAOYSA-N 2 2 312.461 3.421 20 30 DGEDLP C#Cc1cccc(C[NH+]2C[C@@H]3C[NH+](Cc4cccs4)C[C@H]3C2)c1 ZINC001231655525 1097804538 /nfs/dbraw/zinc/80/45/38/1097804538.db2.gz QANHAKIRFAOFKJ-RTBURBONSA-N 2 2 322.477 3.293 20 30 DGEDLP C#Cc1cccc(C[NH+]2CCC([NH+]3CCC(F)CC3)CC2)c1 ZINC001231662478 1097808084 /nfs/dbraw/zinc/80/80/84/1097808084.db2.gz GNBQTIDSRLQOGY-UHFFFAOYSA-N 2 2 300.421 3.066 20 30 DGEDLP Cn1cc(C[N@@H+]2CCCC[C@]23CCC[NH2+]C3)c2cc(C#N)ccc21 ZINC001235173898 1098855164 /nfs/dbraw/zinc/85/51/64/1098855164.db2.gz FMQSYRDDOMFIEP-HXUWFJFHSA-N 2 2 322.456 3.158 20 30 DGEDLP Cn1cc(C[N@H+]2CCCC[C@]23CCC[NH2+]C3)c2cc(C#N)ccc21 ZINC001235173898 1098855173 /nfs/dbraw/zinc/85/51/73/1098855173.db2.gz FMQSYRDDOMFIEP-HXUWFJFHSA-N 2 2 322.456 3.158 20 30 DGEDLP C[N@H+](Cc1ccc(-c2cc(C#N)ccn2)cc1)[C@@]1(C)CCC[NH2+]C1 ZINC001236209755 1099466445 /nfs/dbraw/zinc/46/64/45/1099466445.db2.gz ZNINKJXUASRDIT-FQEVSTJZSA-N 2 2 320.440 3.194 20 30 DGEDLP C[N@@H+](Cc1ccc(-c2cc(C#N)ccn2)cc1)[C@@]1(C)CCC[NH2+]C1 ZINC001236209755 1099466453 /nfs/dbraw/zinc/46/64/53/1099466453.db2.gz ZNINKJXUASRDIT-FQEVSTJZSA-N 2 2 320.440 3.194 20 30 DGEDLP N#Cc1cc(-c2ccc(Cn3cc[nH+]c3)cc2)cc(C2C[NH2+]C2)c1 ZINC001240351754 1100953890 /nfs/dbraw/zinc/95/38/90/1100953890.db2.gz ZKICOEDJULAPSO-UHFFFAOYSA-N 2 2 314.392 3.157 20 30 DGEDLP N#Cc1cc(-c2ccc(C[N@H+]3CC[C@H]([NH3+])C3)cc2)ccc1Cl ZINC001240403613 1100981115 /nfs/dbraw/zinc/98/11/15/1100981115.db2.gz QAUSTVPZHNZBPE-KRWDZBQOSA-N 2 2 311.816 3.412 20 30 DGEDLP N#Cc1cc(-c2ccc(C[N@@H+]3CC[C@H]([NH3+])C3)cc2)ccc1Cl ZINC001240403613 1100981127 /nfs/dbraw/zinc/98/11/27/1100981127.db2.gz QAUSTVPZHNZBPE-KRWDZBQOSA-N 2 2 311.816 3.412 20 30 DGEDLP N#CC1(c2ccc(-c3ccc(C[N@H+]4CC[C@@H]([NH3+])C4)cc3)cc2)CC1 ZINC001243424255 1102714769 /nfs/dbraw/zinc/71/47/69/1102714769.db2.gz LBRVTYXNXNCLQF-HXUWFJFHSA-N 2 2 317.436 3.442 20 30 DGEDLP N#CC1(c2ccc(-c3ccc(C[N@@H+]4CC[C@@H]([NH3+])C4)cc3)cc2)CC1 ZINC001243424255 1102714783 /nfs/dbraw/zinc/71/47/83/1102714783.db2.gz LBRVTYXNXNCLQF-HXUWFJFHSA-N 2 2 317.436 3.442 20 30 DGEDLP N#CC1(c2ccc(-c3cccc(C[N@H+]4CC[C@H]([NH3+])C4)c3)cc2)CC1 ZINC001243424407 1102715205 /nfs/dbraw/zinc/71/52/05/1102715205.db2.gz NVUSQYTUGHWRAH-FQEVSTJZSA-N 2 2 317.436 3.442 20 30 DGEDLP N#CC1(c2ccc(-c3cccc(C[N@@H+]4CC[C@H]([NH3+])C4)c3)cc2)CC1 ZINC001243424407 1102715216 /nfs/dbraw/zinc/71/52/16/1102715216.db2.gz NVUSQYTUGHWRAH-FQEVSTJZSA-N 2 2 317.436 3.442 20 30 DGEDLP CCCCCCC[NH+]1C[C@H]2C[NH+](Cc3cccnc3)C[C@@H]2C1 ZINC001201762547 1102722552 /nfs/dbraw/zinc/72/25/52/1102722552.db2.gz PAAQIEBNADGHQY-OALUTQOASA-N 2 2 301.478 3.416 20 30 DGEDLP N#CC1(c2cccc(-c3ccccc3C[N@H+]3CC[C@@H]([NH3+])C3)c2)CC1 ZINC001244077226 1103193944 /nfs/dbraw/zinc/19/39/44/1103193944.db2.gz XROSWXRUWSVZFM-LJQANCHMSA-N 2 2 317.436 3.442 20 30 DGEDLP N#CC1(c2cccc(-c3ccccc3C[N@@H+]3CC[C@@H]([NH3+])C3)c2)CC1 ZINC001244077226 1103193959 /nfs/dbraw/zinc/19/39/59/1103193959.db2.gz XROSWXRUWSVZFM-LJQANCHMSA-N 2 2 317.436 3.442 20 30 DGEDLP CCc1cc(-c2ccn3c[nH+]c(C4C[NH2+]C4)c3c2)ccc1C#N ZINC001244951536 1103777000 /nfs/dbraw/zinc/77/70/00/1103777000.db2.gz AHQPQVWWKPBRKE-UHFFFAOYSA-N 2 2 302.381 3.122 20 30 DGEDLP C[N@@H+]1CCC2(C1)CC[NH+](Cc1ccc(Cl)cc1C#N)CC2 ZINC001275525510 1104790176 /nfs/dbraw/zinc/79/01/76/1104790176.db2.gz OEKQXDCQDGDCIN-UHFFFAOYSA-N 2 2 303.837 3.129 20 30 DGEDLP C[N@H+]1CCC2(C1)CC[NH+](Cc1ccc(Cl)cc1C#N)CC2 ZINC001275525510 1104790182 /nfs/dbraw/zinc/79/01/82/1104790182.db2.gz OEKQXDCQDGDCIN-UHFFFAOYSA-N 2 2 303.837 3.129 20 30 DGEDLP C=CCCCCCC[C@@H](O)C[NH2+]Cc1ccc2[nH+]ccn2c1 ZINC001253256829 1105913597 /nfs/dbraw/zinc/91/35/97/1105913597.db2.gz GFGABUDSTNEOGH-QGZVFWFLSA-N 2 2 301.434 3.311 20 30 DGEDLP C[C@@H](C[NH+](C)C)[NH2+]C1CCC(C#N)(c2ccc(F)cc2)CC1 ZINC001254345453 1106057075 /nfs/dbraw/zinc/05/70/75/1106057075.db2.gz CEHXIWLNRSFAPS-NNGSBXSVSA-N 2 2 303.425 3.069 20 30 DGEDLP C[NH+](C)C[C@H]([NH2+][C@@H]1CC[C@H](C#N)C1)C12CC3CC(CC(C3)C1)C2 ZINC001254656105 1106124550 /nfs/dbraw/zinc/12/45/50/1106124550.db2.gz HSXLLXYALUCADT-DQGUZYCYSA-N 2 2 315.505 3.415 20 30 DGEDLP C[C@@H](C[NH2+]C1CC(C#N)(c2ccccc2)C1)[NH+]1CCC(C)CC1 ZINC001321623043 1107395655 /nfs/dbraw/zinc/39/56/55/1107395655.db2.gz SCZOVBMIWDHTEF-KKXNLOMOSA-N 2 2 311.473 3.320 20 30 DGEDLP C=CCC[NH2+]C[C@H](CC(C)C)NC(=O)c1c(C)cc(C)[nH+]c1C ZINC001319619574 1108558012 /nfs/dbraw/zinc/55/80/12/1108558012.db2.gz BAXJKKPRATYRSZ-KRWDZBQOSA-N 2 2 317.477 3.317 20 30 DGEDLP C=CCC[NH2+]C[C@@H](CC(C)C)NC(=O)c1c(C)cc(C)[nH+]c1C ZINC001319619581 1108559017 /nfs/dbraw/zinc/55/90/17/1108559017.db2.gz BAXJKKPRATYRSZ-QGZVFWFLSA-N 2 2 317.477 3.317 20 30 DGEDLP C=CC[NH+]1CCC([NH2+][C@H]2CCCc3nc(CC)sc32)CC1 ZINC000177908915 186202475 /nfs/dbraw/zinc/20/24/75/186202475.db2.gz BWLGZFQMYOMATC-AWEZNQCLSA-N 2 2 305.491 3.323 20 30 DGEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)CC1 ZINC000177909012 186202802 /nfs/dbraw/zinc/20/28/02/186202802.db2.gz LOZZHJNZIGPNMC-INIZCTEOSA-N 3 2 324.472 3.482 20 30 DGEDLP N#Cc1cc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)ccc1F ZINC000134927929 432091445 /nfs/dbraw/zinc/09/14/45/432091445.db2.gz UDYLFWKVAUCAEY-BEFAXECRSA-N 2 2 313.420 3.146 20 30 DGEDLP N#Cc1cc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)ccc1F ZINC000134927929 432091451 /nfs/dbraw/zinc/09/14/51/432091451.db2.gz UDYLFWKVAUCAEY-BEFAXECRSA-N 2 2 313.420 3.146 20 30 DGEDLP N#Cc1cc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)ccc1F ZINC000134927929 432091455 /nfs/dbraw/zinc/09/14/55/432091455.db2.gz UDYLFWKVAUCAEY-BEFAXECRSA-N 2 2 313.420 3.146 20 30 DGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@H]3CCCSC3)CC2)cc1 ZINC000271905245 209312079 /nfs/dbraw/zinc/31/20/79/209312079.db2.gz WNJRKYWCFCEGQH-SFHVURJKSA-N 2 2 315.486 3.008 20 30 DGEDLP N#Cc1ccc(C[N@H+](Cc2ccccn2)[C@@H]2CCC[NH2+]CC2)cc1 ZINC000435615399 238327990 /nfs/dbraw/zinc/32/79/90/238327990.db2.gz HSACJURWSWQRQA-HXUWFJFHSA-N 2 2 320.440 3.098 20 30 DGEDLP N#Cc1ccc(C[N@@H+](Cc2ccccn2)[C@@H]2CCC[NH2+]CC2)cc1 ZINC000435615399 238327995 /nfs/dbraw/zinc/32/79/95/238327995.db2.gz HSACJURWSWQRQA-HXUWFJFHSA-N 2 2 320.440 3.098 20 30 DGEDLP Cc1cc(C[NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)ccc1C#N ZINC000443991360 239246882 /nfs/dbraw/zinc/24/68/82/239246882.db2.gz VRTPXGQLRQVUPN-UHFFFAOYSA-N 2 2 316.408 3.401 20 30 DGEDLP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+]Cc1cccc(C#N)c1 ZINC000246300719 432117531 /nfs/dbraw/zinc/11/75/31/432117531.db2.gz VGGPPILMPCKLKS-OXJNMPFZSA-N 2 2 305.425 3.168 20 30 DGEDLP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+]Cc1cccc(C#N)c1 ZINC000246300719 432117535 /nfs/dbraw/zinc/11/75/35/432117535.db2.gz VGGPPILMPCKLKS-OXJNMPFZSA-N 2 2 305.425 3.168 20 30 DGEDLP C=CC[NH+](CC=C)[C@H](C[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCC2)C(C)C ZINC000488090596 245144925 /nfs/dbraw/zinc/14/49/25/245144925.db2.gz SOXYGIBRMWDBDS-WJFTUGDTSA-N 2 2 318.505 3.232 20 30 DGEDLP CCSCCC[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000282650478 217152440 /nfs/dbraw/zinc/15/24/40/217152440.db2.gz IADIEISEYSICGB-UHFFFAOYSA-N 2 2 317.502 3.255 20 30 DGEDLP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+][C@H]2CCC[C@H](C#N)C2)CC1 ZINC000185868844 296243757 /nfs/dbraw/zinc/24/37/57/296243757.db2.gz VVSCGOFPAFFVTG-BXWFABGCSA-N 2 2 312.461 3.279 20 30 DGEDLP C=CC[NH+]1CCC([NH2+][C@H]2CCCc3ccc(OC)cc32)CC1 ZINC000268901339 207068381 /nfs/dbraw/zinc/06/83/81/207068381.db2.gz RFJLWUIPHZNAGG-IBGZPJMESA-N 2 2 300.446 3.313 20 30 DGEDLP C=C(Br)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000268918870 207085793 /nfs/dbraw/zinc/08/57/93/207085793.db2.gz PVKISXRNINKZLE-XJKSGUPXSA-N 2 2 323.278 3.395 20 30 DGEDLP C=C(Br)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000268918870 207085794 /nfs/dbraw/zinc/08/57/94/207085794.db2.gz PVKISXRNINKZLE-XJKSGUPXSA-N 2 2 323.278 3.395 20 30 DGEDLP C[C@@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000249260196 285065093 /nfs/dbraw/zinc/06/50/93/285065093.db2.gz HQFIRUMFZAIZDP-RDJZCZTQSA-N 2 2 308.429 3.307 20 30 DGEDLP Cc1ccc(C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)cn1 ZINC000344144511 254230889 /nfs/dbraw/zinc/23/08/89/254230889.db2.gz VEUCGDNEGJIZAH-UHFFFAOYSA-N 2 2 320.440 3.016 20 30 DGEDLP Cc1[nH+]cc(C[NH2+]Cc2ccc(C#N)s2)n1-c1ccccc1 ZINC000344615813 254289145 /nfs/dbraw/zinc/28/91/45/254289145.db2.gz RLAOFWGINRCPCY-UHFFFAOYSA-N 2 2 308.410 3.404 20 30 DGEDLP N#Cc1ccc(CC[NH2+][C@@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000595056723 400092677 /nfs/dbraw/zinc/09/26/77/400092677.db2.gz VDAFFKIVFHJAJH-OAQYLSRUSA-N 2 2 319.452 3.355 20 30 DGEDLP N#Cc1ccc(CC[NH2+][C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000595056723 400092682 /nfs/dbraw/zinc/09/26/82/400092682.db2.gz VDAFFKIVFHJAJH-OAQYLSRUSA-N 2 2 319.452 3.355 20 30 DGEDLP N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000585765692 400139644 /nfs/dbraw/zinc/13/96/44/400139644.db2.gz SROYIKPHJFQFHR-SFHVURJKSA-N 2 2 306.413 3.258 20 30 DGEDLP C[N@@H+]1CC[C@H]([NH2+]CCc2ccc(C#N)cc2)[C@@H]1c1ccccc1 ZINC000595474827 400162682 /nfs/dbraw/zinc/16/26/82/400162682.db2.gz FRQAIMSLUZGQTF-PMACEKPBSA-N 2 2 305.425 3.136 20 30 DGEDLP C[N@H+]1CC[C@H]([NH2+]CCc2ccc(C#N)cc2)[C@@H]1c1ccccc1 ZINC000595474827 400162686 /nfs/dbraw/zinc/16/26/86/400162686.db2.gz FRQAIMSLUZGQTF-PMACEKPBSA-N 2 2 305.425 3.136 20 30 DGEDLP CC[C@H]1C[N@H+](Cc2ccc(C#N)cc2C(F)(F)F)CC[C@H]1[NH3+] ZINC000595895501 400288868 /nfs/dbraw/zinc/28/88/68/400288868.db2.gz OGNSZKLNKUHLAB-SWLSCSKDSA-N 2 2 311.351 3.136 20 30 DGEDLP CC[C@H]1C[N@@H+](Cc2ccc(C#N)cc2C(F)(F)F)CC[C@H]1[NH3+] ZINC000595895501 400288872 /nfs/dbraw/zinc/28/88/72/400288872.db2.gz OGNSZKLNKUHLAB-SWLSCSKDSA-N 2 2 311.351 3.136 20 30 DGEDLP C=CCOc1ccc(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000093865694 400258311 /nfs/dbraw/zinc/25/83/11/400258311.db2.gz MZMTYMBIBCOBFL-LJQANCHMSA-N 2 2 310.397 3.300 20 30 DGEDLP C=CCOc1ccc(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000093865694 400258316 /nfs/dbraw/zinc/25/83/16/400258316.db2.gz MZMTYMBIBCOBFL-LJQANCHMSA-N 2 2 310.397 3.300 20 30 DGEDLP C=CCOc1ccccc1C[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000093865952 400259286 /nfs/dbraw/zinc/25/92/86/400259286.db2.gz UPZBGHLYUFQPFE-SFHVURJKSA-N 2 2 310.397 3.300 20 30 DGEDLP C=CCOc1ccccc1C[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000093865952 400259289 /nfs/dbraw/zinc/25/92/89/400259289.db2.gz UPZBGHLYUFQPFE-SFHVURJKSA-N 2 2 310.397 3.300 20 30 DGEDLP Cc1cccn2cc(CC[NH2+][C@H](C)c3ccc(C#N)cc3)[nH+]c12 ZINC000611438743 400400850 /nfs/dbraw/zinc/40/08/50/400400850.db2.gz GHYZHXNSEVXWEL-OAHLLOKOSA-N 2 2 304.397 3.408 20 30 DGEDLP CC[NH+]1CCN(c2ccc([NH2+]C[C@@H](C)CCC#N)c(C)c2)CC1 ZINC000602494510 400479184 /nfs/dbraw/zinc/47/91/84/400479184.db2.gz PHWHOATZCCATJY-INIZCTEOSA-N 2 2 314.477 3.489 20 30 DGEDLP C[C@H]1C[C@H]([NH2+]Cc2cccc(C#N)n2)CC[N@@H+]1Cc1ccccc1 ZINC000602563868 400497594 /nfs/dbraw/zinc/49/75/94/400497594.db2.gz HNRKVYPQIWRMJF-FUHWJXTLSA-N 2 2 320.440 3.096 20 30 DGEDLP C[C@H]1C[C@H]([NH2+]Cc2cccc(C#N)n2)CC[N@H+]1Cc1ccccc1 ZINC000602563868 400497599 /nfs/dbraw/zinc/49/75/99/400497599.db2.gz HNRKVYPQIWRMJF-FUHWJXTLSA-N 2 2 320.440 3.096 20 30 DGEDLP N#CC1(c2ccc(C[NH+]3CCC(n4cc[nH+]c4)CC3)cc2)CC1 ZINC000596995800 400536076 /nfs/dbraw/zinc/53/60/76/400536076.db2.gz OUQCIGDGSKNRNF-UHFFFAOYSA-N 2 2 306.413 3.275 20 30 DGEDLP CCC(CC)C[N@H+](CCC#N)Cc1ccnn1-c1cc[nH+]cc1 ZINC000596997149 400537671 /nfs/dbraw/zinc/53/76/71/400537671.db2.gz ZPVFEWQTJQSKGR-UHFFFAOYSA-N 2 2 311.433 3.419 20 30 DGEDLP CCC(CC)C[N@@H+](CCC#N)Cc1ccnn1-c1cc[nH+]cc1 ZINC000596997149 400537675 /nfs/dbraw/zinc/53/76/75/400537675.db2.gz ZPVFEWQTJQSKGR-UHFFFAOYSA-N 2 2 311.433 3.419 20 30 DGEDLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1ccc(C2(C#N)CC2)cc1 ZINC000597025787 400542097 /nfs/dbraw/zinc/54/20/97/400542097.db2.gz DDUZFGXMFJOBAT-MOPGFXCFSA-N 2 2 309.457 3.300 20 30 DGEDLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1ccc(C2(C#N)CC2)cc1 ZINC000597025787 400542099 /nfs/dbraw/zinc/54/20/99/400542099.db2.gz DDUZFGXMFJOBAT-MOPGFXCFSA-N 2 2 309.457 3.300 20 30 DGEDLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(C2(C#N)CC2)cc1 ZINC000597025787 400542100 /nfs/dbraw/zinc/54/21/00/400542100.db2.gz DDUZFGXMFJOBAT-MOPGFXCFSA-N 2 2 309.457 3.300 20 30 DGEDLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(C2(C#N)CC2)cc1 ZINC000597025787 400542101 /nfs/dbraw/zinc/54/21/01/400542101.db2.gz DDUZFGXMFJOBAT-MOPGFXCFSA-N 2 2 309.457 3.300 20 30 DGEDLP N#Cc1cccc(C[NH+]2CCC([NH2+]C3CCC(C#N)CC3)CC2)c1 ZINC000602704179 400545541 /nfs/dbraw/zinc/54/55/41/400545541.db2.gz GHWZTOXVAZJVFA-UHFFFAOYSA-N 2 2 322.456 3.195 20 30 DGEDLP C[C@H](CCC#N)C[NH2+]C1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000602706971 400546909 /nfs/dbraw/zinc/54/69/09/400546909.db2.gz RKMFBKMWWFTFFD-MRXNPFEDSA-N 2 2 310.445 3.052 20 30 DGEDLP C=CC[NH+]1CCC([NH2+][C@H]2C[C@@H](OCC)C23CCCCC3)CC1 ZINC000181716763 400889722 /nfs/dbraw/zinc/88/97/22/400889722.db2.gz HQHDEUKQVJOLAE-ZWKOTPCHSA-N 2 2 306.494 3.354 20 30 DGEDLP N#Cc1cccc(C[NH+]2CCC([NH2+][C@@H]3CCC[C@H]4C[C@H]43)CC2)c1 ZINC000593696234 400893631 /nfs/dbraw/zinc/89/36/31/400893631.db2.gz YUOUGFJVIOOEGC-DFQSSKMNSA-N 2 2 309.457 3.301 20 30 DGEDLP N#Cc1cccc(C[NH+]2CCC([NH2+][C@@H]3CCC34CCC4)CC2)c1 ZINC000593725482 400900291 /nfs/dbraw/zinc/90/02/91/400900291.db2.gz MJTQZCZGPMFZQT-LJQANCHMSA-N 2 2 309.457 3.445 20 30 DGEDLP N#Cc1ccc(F)cc1C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246836992 432170472 /nfs/dbraw/zinc/17/04/72/432170472.db2.gz OMOPXDNLSQNXLH-KXBFYZLASA-N 2 2 313.420 3.146 20 30 DGEDLP N#Cc1ccc(F)cc1C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246836992 432170476 /nfs/dbraw/zinc/17/04/76/432170476.db2.gz OMOPXDNLSQNXLH-KXBFYZLASA-N 2 2 313.420 3.146 20 30 DGEDLP N#Cc1ccc(F)cc1C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246836992 432170477 /nfs/dbraw/zinc/17/04/77/432170477.db2.gz OMOPXDNLSQNXLH-KXBFYZLASA-N 2 2 313.420 3.146 20 30 DGEDLP N#Cc1ccc(F)cc1C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246836992 432170481 /nfs/dbraw/zinc/17/04/81/432170481.db2.gz OMOPXDNLSQNXLH-KXBFYZLASA-N 2 2 313.420 3.146 20 30 DGEDLP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+]Cc2cccc(C#N)c2)CC1 ZINC000130991655 196129392 /nfs/dbraw/zinc/12/93/92/196129392.db2.gz PJHFTURRJUWJSL-INIZCTEOSA-N 2 2 320.440 3.268 20 30 DGEDLP Cc1c[nH+]ccc1CC[NH2+]Cc1cccc(OCCCC#N)c1 ZINC000339058388 229073601 /nfs/dbraw/zinc/07/36/01/229073601.db2.gz COSIKPLBYWHEEL-UHFFFAOYSA-N 2 2 309.413 3.405 20 30 DGEDLP N#Cc1ccc(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)c(Cl)c1 ZINC000347085671 264153808 /nfs/dbraw/zinc/15/38/08/264153808.db2.gz MMNCWPCLHAYCKW-MRXNPFEDSA-N 2 2 313.788 3.260 20 30 DGEDLP N#Cc1ccc(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)c(Cl)c1 ZINC000347085671 264153810 /nfs/dbraw/zinc/15/38/10/264153810.db2.gz MMNCWPCLHAYCKW-MRXNPFEDSA-N 2 2 313.788 3.260 20 30 DGEDLP N#Cc1ccc(C[N@@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)c(Cl)c1 ZINC000347085657 264154188 /nfs/dbraw/zinc/15/41/88/264154188.db2.gz MMNCWPCLHAYCKW-INIZCTEOSA-N 2 2 313.788 3.260 20 30 DGEDLP N#Cc1ccc(C[N@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)c(Cl)c1 ZINC000347085657 264154191 /nfs/dbraw/zinc/15/41/91/264154191.db2.gz MMNCWPCLHAYCKW-INIZCTEOSA-N 2 2 313.788 3.260 20 30 DGEDLP N#Cc1ccc(C[NH2+]Cc2cccc(-n3cc[nH+]c3)c2)c(F)c1 ZINC000355704670 266160835 /nfs/dbraw/zinc/16/08/35/266160835.db2.gz ZFSAOZZQVPDPBV-UHFFFAOYSA-N 2 2 306.344 3.173 20 30 DGEDLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+][C@@H]1CCCCc2cc(C#N)ccc21 ZINC000360665463 267045217 /nfs/dbraw/zinc/04/52/17/267045217.db2.gz XQAGAEUHZINBOT-JSNMRZPZSA-N 2 2 309.457 3.398 20 30 DGEDLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+][C@@H]1CCCCc2cc(C#N)ccc21 ZINC000360665463 267045221 /nfs/dbraw/zinc/04/52/21/267045221.db2.gz XQAGAEUHZINBOT-JSNMRZPZSA-N 2 2 309.457 3.398 20 30 DGEDLP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000404064089 267235437 /nfs/dbraw/zinc/23/54/37/267235437.db2.gz NDLXGKGPWIJLCS-YWZLYKJASA-N 2 2 323.415 3.307 20 30 DGEDLP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000404064089 267235440 /nfs/dbraw/zinc/23/54/40/267235440.db2.gz NDLXGKGPWIJLCS-YWZLYKJASA-N 2 2 323.415 3.307 20 30 DGEDLP N#Cc1ccc(C2=CC[N@H+](Cc3cccc4[nH+]ccn43)CC2)cc1 ZINC000371468403 268055193 /nfs/dbraw/zinc/05/51/93/268055193.db2.gz ARAGBZZPTLXIND-UHFFFAOYSA-N 2 2 314.392 3.495 20 30 DGEDLP N#Cc1ccc(C2=CC[N@@H+](Cc3cccc4[nH+]ccn43)CC2)cc1 ZINC000371468403 268055197 /nfs/dbraw/zinc/05/51/97/268055197.db2.gz ARAGBZZPTLXIND-UHFFFAOYSA-N 2 2 314.392 3.495 20 30 DGEDLP CC[NH+](CC)Cc1ccc(CNc2cc(C)[nH+]cc2C#N)cc1 ZINC000425200732 276110076 /nfs/dbraw/zinc/11/00/76/276110076.db2.gz LPRGBIOZBIJJLD-UHFFFAOYSA-N 2 2 308.429 3.138 20 30 DGEDLP CC(C)(C)c1cn2c([nH+]1)CC[C@H]([NH2+][C@H]1CCC[C@H](C#N)C1)C2 ZINC000332584748 278564212 /nfs/dbraw/zinc/56/42/12/278564212.db2.gz CAYSEIYCZIMGII-KKUMJFAQSA-N 2 2 300.450 3.167 20 30 DGEDLP N#Cc1cc(C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)ccc1F ZINC000121534748 431800573 /nfs/dbraw/zinc/80/05/73/431800573.db2.gz WUDLMIQEMUVTOG-MRXNPFEDSA-N 2 2 301.409 3.005 20 30 DGEDLP N#Cc1cc(C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)ccc1F ZINC000121534748 431800578 /nfs/dbraw/zinc/80/05/78/431800578.db2.gz WUDLMIQEMUVTOG-MRXNPFEDSA-N 2 2 301.409 3.005 20 30 DGEDLP N#Cc1cc(C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)ccc1F ZINC000121374031 431777269 /nfs/dbraw/zinc/77/72/69/431777269.db2.gz DVDLMFLEPUNJOZ-KRWDZBQOSA-N 2 2 301.409 3.148 20 30 DGEDLP N#Cc1cc(C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)ccc1F ZINC000121374031 431777274 /nfs/dbraw/zinc/77/72/74/431777274.db2.gz DVDLMFLEPUNJOZ-KRWDZBQOSA-N 2 2 301.409 3.148 20 30 DGEDLP C[C@H]1CC[N@H+](Cc2cn3ccccc3c2C#N)C[C@@H]1n1cc[nH+]c1 ZINC000122853980 431846758 /nfs/dbraw/zinc/84/67/58/431846758.db2.gz DHBJDSMGZSOPHF-KXBFYZLASA-N 2 2 319.412 3.091 20 30 DGEDLP C[C@H]1CC[N@@H+](Cc2cn3ccccc3c2C#N)C[C@@H]1n1cc[nH+]c1 ZINC000122853980 431846759 /nfs/dbraw/zinc/84/67/59/431846759.db2.gz DHBJDSMGZSOPHF-KXBFYZLASA-N 2 2 319.412 3.091 20 30 DGEDLP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)c2nc3ccccc3n2C)CC1 ZINC000091334292 431903803 /nfs/dbraw/zinc/90/38/03/431903803.db2.gz OVITWJGZTFARDF-HNNXBMFYSA-N 2 2 312.461 3.264 20 30 DGEDLP CC[C@@H](C[NH2+]Cc1ccc(C#N)cc1)[N@@H+]1CCc2ccccc2C1 ZINC000048709831 431931243 /nfs/dbraw/zinc/93/12/43/431931243.db2.gz QUMHHYAYXBOKFW-NRFANRHFSA-N 2 2 319.452 3.485 20 30 DGEDLP CC[C@@H](C[NH2+]Cc1ccc(C#N)cc1)[N@H+]1CCc2ccccc2C1 ZINC000048709831 431931245 /nfs/dbraw/zinc/93/12/45/431931245.db2.gz QUMHHYAYXBOKFW-NRFANRHFSA-N 2 2 319.452 3.485 20 30 DGEDLP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1ccc(F)cc1C#N ZINC000191510786 432272397 /nfs/dbraw/zinc/27/23/97/432272397.db2.gz GTXXBQKGYOLTRD-UHFFFAOYSA-N 2 2 314.408 3.368 20 30 DGEDLP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1ccc(F)cc1C#N ZINC000191510786 432272400 /nfs/dbraw/zinc/27/24/00/432272400.db2.gz GTXXBQKGYOLTRD-UHFFFAOYSA-N 2 2 314.408 3.368 20 30 DGEDLP N#Cc1ccc(F)c(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1 ZINC000252692381 432386135 /nfs/dbraw/zinc/38/61/35/432386135.db2.gz BGRSMVCDEQPTIM-HNAYVOBHSA-N 2 2 313.420 3.146 20 30 DGEDLP N#Cc1ccc(F)c(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1 ZINC000252692381 432386139 /nfs/dbraw/zinc/38/61/39/432386139.db2.gz BGRSMVCDEQPTIM-HNAYVOBHSA-N 2 2 313.420 3.146 20 30 DGEDLP N#Cc1ccc(F)c(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000252692381 432386144 /nfs/dbraw/zinc/38/61/44/432386144.db2.gz BGRSMVCDEQPTIM-HNAYVOBHSA-N 2 2 313.420 3.146 20 30 DGEDLP N#Cc1ccc(F)c(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000252692381 432386148 /nfs/dbraw/zinc/38/61/48/432386148.db2.gz BGRSMVCDEQPTIM-HNAYVOBHSA-N 2 2 313.420 3.146 20 30 DGEDLP CCc1cccc(NC(=[NH2+])NC[C@H](c2ccsc2)[NH+](C)C)c1 ZINC000264089979 432614139 /nfs/dbraw/zinc/61/41/39/432614139.db2.gz KQTIRUGYMNQCPH-MRXNPFEDSA-N 2 2 316.474 3.340 20 30 DGEDLP C[C@H]([NH2+]C1CC[NH+](Cc2ccccn2)CC1)c1cccc(C#N)c1 ZINC000178175933 432702497 /nfs/dbraw/zinc/70/24/97/432702497.db2.gz GXKHHKCQAIAFPF-INIZCTEOSA-N 2 2 320.440 3.268 20 30 DGEDLP C[C@@H](c1ccccn1)[NH+](C)CC#CC[N@@H+](C)[C@@H](C)c1ccccn1 ZINC000276312434 432796825 /nfs/dbraw/zinc/79/68/25/432796825.db2.gz MPMHVYGQWYNNES-ROUUACIJSA-N 2 2 322.456 3.166 20 30 DGEDLP C[C@@H](c1ccccn1)[NH+](C)CC#CC[N@H+](C)[C@@H](C)c1ccccn1 ZINC000276312434 432796830 /nfs/dbraw/zinc/79/68/30/432796830.db2.gz MPMHVYGQWYNNES-ROUUACIJSA-N 2 2 322.456 3.166 20 30 DGEDLP N#Cc1ccc(C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)s1 ZINC000279580231 432985753 /nfs/dbraw/zinc/98/57/53/432985753.db2.gz BKDVNGIJKHRIMW-CALCHBBNSA-N 2 2 323.465 3.184 20 30 DGEDLP N#Cc1ccc(C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)s1 ZINC000279580231 432985758 /nfs/dbraw/zinc/98/57/58/432985758.db2.gz BKDVNGIJKHRIMW-CALCHBBNSA-N 2 2 323.465 3.184 20 30 DGEDLP N#Cc1ccc(C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)s1 ZINC000279580231 432985764 /nfs/dbraw/zinc/98/57/64/432985764.db2.gz BKDVNGIJKHRIMW-CALCHBBNSA-N 2 2 323.465 3.184 20 30 DGEDLP N#Cc1ccc(C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)s1 ZINC000279580231 432985770 /nfs/dbraw/zinc/98/57/70/432985770.db2.gz BKDVNGIJKHRIMW-CALCHBBNSA-N 2 2 323.465 3.184 20 30 DGEDLP CC[NH+](CC)[C@H](CNc1cc(C)[nH+]cc1C#N)c1ccsc1 ZINC000425207045 433120464 /nfs/dbraw/zinc/12/04/64/433120464.db2.gz MCGVKXOMDGBUMJ-QGZVFWFLSA-N 2 2 314.458 3.240 20 30 DGEDLP C[C@@H]1[C@@H]([NH2+]Cc2cccc(C#N)c2)CC[N@@H+]1Cc1ccccc1 ZINC000336716886 433188559 /nfs/dbraw/zinc/18/85/59/433188559.db2.gz PYBUTMQETUIHOI-UZLBHIALSA-N 2 2 305.425 3.311 20 30 DGEDLP C[C@@H]1[C@@H]([NH2+]Cc2cccc(C#N)c2)CC[N@H+]1Cc1ccccc1 ZINC000336716886 433188568 /nfs/dbraw/zinc/18/85/68/433188568.db2.gz PYBUTMQETUIHOI-UZLBHIALSA-N 2 2 305.425 3.311 20 30 DGEDLP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(C#N)cc2)C1 ZINC000356923103 433768837 /nfs/dbraw/zinc/76/88/37/433768837.db2.gz QYWBGGAYGBMDEZ-OXQOHEQNSA-N 2 2 305.425 3.483 20 30 DGEDLP C[C@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+]Cc2ccc(C#N)cc2)C1 ZINC000356923103 433768846 /nfs/dbraw/zinc/76/88/46/433768846.db2.gz QYWBGGAYGBMDEZ-OXQOHEQNSA-N 2 2 305.425 3.483 20 30 DGEDLP N#Cc1cccc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1F ZINC000340871500 434405638 /nfs/dbraw/zinc/40/56/38/434405638.db2.gz AGKWVHCUPBPWNJ-YJBOKZPZSA-N 2 2 313.420 3.146 20 30 DGEDLP N#Cc1cccc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1F ZINC000340871500 434405648 /nfs/dbraw/zinc/40/56/48/434405648.db2.gz AGKWVHCUPBPWNJ-YJBOKZPZSA-N 2 2 313.420 3.146 20 30 DGEDLP N#Cc1cccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1F ZINC000340871500 434405654 /nfs/dbraw/zinc/40/56/54/434405654.db2.gz AGKWVHCUPBPWNJ-YJBOKZPZSA-N 2 2 313.420 3.146 20 30 DGEDLP N#Cc1cccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1F ZINC000340871500 434405663 /nfs/dbraw/zinc/40/56/63/434405663.db2.gz AGKWVHCUPBPWNJ-YJBOKZPZSA-N 2 2 313.420 3.146 20 30 DGEDLP CC[C@H]([NH2+][C@@H]1C[NH2+]C[C@H]1c1ccccc1)c1ccc(C#N)cc1 ZINC000423526664 434474198 /nfs/dbraw/zinc/47/41/98/434474198.db2.gz LITZLPSPAQBVKC-SLFFLAALSA-N 2 2 305.425 3.355 20 30 DGEDLP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000368533325 434576984 /nfs/dbraw/zinc/57/69/84/434576984.db2.gz BRBIBQYONUGJCV-NBYUQASBSA-N 2 2 314.473 3.393 20 30 DGEDLP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000368533325 434576991 /nfs/dbraw/zinc/57/69/91/434576991.db2.gz BRBIBQYONUGJCV-NBYUQASBSA-N 2 2 314.473 3.393 20 30 DGEDLP N#Cc1ccc(C[NH+]2CCC(n3cc[nH+]c3)CC2)c(Cl)c1 ZINC000439421023 434601079 /nfs/dbraw/zinc/60/10/79/434601079.db2.gz KHJJWSYBPJVQEG-UHFFFAOYSA-N 2 2 300.793 3.245 20 30 DGEDLP C[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2Cl)C[C@@H]1n1cc[nH+]c1 ZINC000439455753 434606356 /nfs/dbraw/zinc/60/63/56/434606356.db2.gz WCRRCZNTYZCHTC-DYVFJYSZSA-N 2 2 314.820 3.491 20 30 DGEDLP C[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2Cl)C[C@@H]1n1cc[nH+]c1 ZINC000439455753 434606361 /nfs/dbraw/zinc/60/63/61/434606361.db2.gz WCRRCZNTYZCHTC-DYVFJYSZSA-N 2 2 314.820 3.491 20 30 DGEDLP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+]C[C@H](C#N)CCC#N ZINC000577503248 435060686 /nfs/dbraw/zinc/06/06/86/435060686.db2.gz OCAUHFKWPXTJCX-LMMKCTJWSA-N 2 2 324.472 3.176 20 30 DGEDLP C=C(C)[C@H]([NH2+]C1CC[NH+](CCOC)CC1)c1ccc(F)c(F)c1 ZINC000480661652 435387647 /nfs/dbraw/zinc/38/76/47/435387647.db2.gz INOUHCQVKWYUDV-SFHVURJKSA-N 2 2 324.415 3.282 20 30 DGEDLP Cn1c[nH+]cc1CCC[N@@H+]1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000514869932 435446970 /nfs/dbraw/zinc/44/69/70/435446970.db2.gz DWNYDULDKLYHKF-MOPGFXCFSA-N 2 2 308.429 3.124 20 30 DGEDLP Cn1c[nH+]cc1CCC[N@H+]1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000514869932 435446977 /nfs/dbraw/zinc/44/69/77/435446977.db2.gz DWNYDULDKLYHKF-MOPGFXCFSA-N 2 2 308.429 3.124 20 30 DGEDLP CCC1([NH+](C)C)CC[NH+](CC#Cc2cccc(Cl)c2)CC1 ZINC000640015429 435491502 /nfs/dbraw/zinc/49/15/02/435491502.db2.gz IASLCNMGLDNWBC-UHFFFAOYSA-N 2 2 304.865 3.498 20 30 DGEDLP N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000564219931 315163730 /nfs/dbraw/zinc/16/37/30/315163730.db2.gz FGAZVTMKYWWULW-SJLPKXTDSA-N 2 2 306.413 3.127 20 30 DGEDLP C=CC[NH+]1CCC([NH2+][C@@H](CC)c2ccc(N(C)C)cc2)CC1 ZINC000177908857 526453550 /nfs/dbraw/zinc/45/35/50/526453550.db2.gz UTOKZFBOCKRLGI-IBGZPJMESA-N 2 2 301.478 3.444 20 30 DGEDLP C=CCOc1ccccc1C[NH+]1CCC([NH2+]CC2CC2)CC1 ZINC000347089724 526932156 /nfs/dbraw/zinc/93/21/56/526932156.db2.gz DHFWRIODXCFKSD-UHFFFAOYSA-N 2 2 300.446 3.215 20 30 DGEDLP C=CCOc1ccccc1C[NH+]1CCN(c2cc(C)cc[nH+]2)CC1 ZINC000352346582 526934243 /nfs/dbraw/zinc/93/42/43/526934243.db2.gz SCTTZONGWDVPAX-UHFFFAOYSA-N 2 2 323.440 3.277 20 30 DGEDLP C#CC[C@H]([NH2+]C1CC[NH+](Cc2ccncc2)CC1)c1ccccc1 ZINC000360062045 527175372 /nfs/dbraw/zinc/17/53/72/527175372.db2.gz USSKVVKQILUMME-NRFANRHFSA-N 2 2 319.452 3.400 20 30 DGEDLP CCC[N@@H+]1CC[C@@H](CNC(=O)Nc2c(C)cc(C)[nH+]c2C)C1 ZINC000331349268 528249199 /nfs/dbraw/zinc/24/91/99/528249199.db2.gz XSKFTSCJOWDKPH-HNNXBMFYSA-N 2 2 304.438 3.065 20 30 DGEDLP CCC[N@H+]1CC[C@@H](CNC(=O)Nc2c(C)cc(C)[nH+]c2C)C1 ZINC000331349268 528249202 /nfs/dbraw/zinc/24/92/02/528249202.db2.gz XSKFTSCJOWDKPH-HNNXBMFYSA-N 2 2 304.438 3.065 20 30 DGEDLP Cc1cccc(C)c1CO[NH+]=C(N)c1ccc(C[NH+](C)C)cc1 ZINC000747839158 575545670 /nfs/dbraw/zinc/54/56/70/575545670.db2.gz ZXDSMZZFNAETSQ-UHFFFAOYSA-N 2 2 311.429 3.202 20 30 DGEDLP C=CC[NH+]1CCC([NH2+]Cc2ccccc2N2CCCCC2)CC1 ZINC000892881056 618338819 /nfs/dbraw/zinc/33/88/19/618338819.db2.gz PGBRIXAMAOUKRV-UHFFFAOYSA-N 2 2 313.489 3.417 20 30 DGEDLP CN(C)c1cc[nH+]cc1C=[NH+]Nc1cccc(Br)c1 ZINC000776186532 618522126 /nfs/dbraw/zinc/52/21/26/618522126.db2.gz UOTXFWFTQHPRRP-UHFFFAOYSA-N 2 2 319.206 3.356 20 30 DGEDLP C#Cc1ccc(CN(c2cccc[nH+]2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC000895113176 618540444 /nfs/dbraw/zinc/54/04/44/618540444.db2.gz UJYFZXXJWDHCGY-WGSAOQKQSA-N 2 2 305.425 3.339 20 30 DGEDLP C[C@@H](CCC#N)C[NH2+]c1ccc(N2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000895646726 618809876 /nfs/dbraw/zinc/80/98/76/618809876.db2.gz IUJSBBVTPFNAPP-LPHOPBHVSA-N 2 2 312.461 3.323 20 30 DGEDLP C[C@@H](CCC#N)C[NH2+]c1ccc(N2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000895646726 618809878 /nfs/dbraw/zinc/80/98/78/618809878.db2.gz IUJSBBVTPFNAPP-LPHOPBHVSA-N 2 2 312.461 3.323 20 30 DGEDLP C[C@@H](C#N)Oc1ccc(C[NH+]2CCC([NH2+]C3CCC3)CC2)cc1 ZINC000897982052 619202887 /nfs/dbraw/zinc/20/28/87/619202887.db2.gz WDDOFSOTFPRBLF-HNNXBMFYSA-N 2 2 313.445 3.084 20 30 DGEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)c2cccc(-n3ccnc3)c2)CC1 ZINC000902795727 619677805 /nfs/dbraw/zinc/67/78/05/619677805.db2.gz JEVWOYAULOUCPD-INIZCTEOSA-N 2 2 310.445 3.173 20 30 DGEDLP CC[C@@H]([NH2+]C[C@@]1([NH+](C)C)CCSC1)c1cccc(C#N)c1 ZINC000902831840 619681905 /nfs/dbraw/zinc/68/19/05/619681905.db2.gz OEFMXQUFHZSWGM-SJORKVTESA-N 2 2 303.475 3.036 20 30 DGEDLP N#Cc1cc(Cl)cc(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)c1 ZINC000903444986 619777755 /nfs/dbraw/zinc/77/77/55/619777755.db2.gz HGLGZYJXPGTHIU-WBVHZDCISA-N 2 2 303.837 3.176 20 30 DGEDLP N#Cc1cc(Cl)cc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)c1 ZINC000903444986 619777756 /nfs/dbraw/zinc/77/77/56/619777756.db2.gz HGLGZYJXPGTHIU-WBVHZDCISA-N 2 2 303.837 3.176 20 30 DGEDLP C[NH+](C)Cc1ccc(C[N@H+](C)Cc2ccc(F)cc2C#N)cc1 ZINC000859214961 621260990 /nfs/dbraw/zinc/26/09/90/621260990.db2.gz RZDKOSHEJGVKGP-UHFFFAOYSA-N 2 2 311.404 3.391 20 30 DGEDLP C[NH+](C)Cc1ccc(C[N@@H+](C)Cc2ccc(F)cc2C#N)cc1 ZINC000859214961 621260992 /nfs/dbraw/zinc/26/09/92/621260992.db2.gz RZDKOSHEJGVKGP-UHFFFAOYSA-N 2 2 311.404 3.391 20 30 DGEDLP C#CCOc1ccc(C[NH2+]CCCCNc2cccc[nH+]2)cc1 ZINC000119017700 621608127 /nfs/dbraw/zinc/60/81/27/621608127.db2.gz PYPOXPGPYWZYQJ-UHFFFAOYSA-N 2 2 309.413 3.076 20 30 DGEDLP C#CCOc1ccccc1C[NH2+]CCCCNc1cccc[nH+]1 ZINC000119029130 621608507 /nfs/dbraw/zinc/60/85/07/621608507.db2.gz ADTQZGSTBHAAHS-UHFFFAOYSA-N 2 2 309.413 3.076 20 30 DGEDLP C#CCOc1ccccc1C[NH+](C)[C@H]1CC[N@@H+](CC)[C@H](C)C1 ZINC000769469714 622530886 /nfs/dbraw/zinc/53/08/86/622530886.db2.gz DCIXAISPDZDBHF-AEFFLSMTSA-N 2 2 300.446 3.003 20 30 DGEDLP C#CCOc1ccccc1C[NH+](C)[C@H]1CC[N@H+](CC)[C@H](C)C1 ZINC000769469714 622530890 /nfs/dbraw/zinc/53/08/90/622530890.db2.gz DCIXAISPDZDBHF-AEFFLSMTSA-N 2 2 300.446 3.003 20 30 DGEDLP C#CCOc1ccccc1C[N@@H+](C)[C@H]1CC[NH+](CC)[C@H](C)C1 ZINC000769469714 622530893 /nfs/dbraw/zinc/53/08/93/622530893.db2.gz DCIXAISPDZDBHF-AEFFLSMTSA-N 2 2 300.446 3.003 20 30 DGEDLP C#CCOc1ccccc1C[N@H+](C)[C@H]1CC[NH+](CC)[C@H](C)C1 ZINC000769469714 622530895 /nfs/dbraw/zinc/53/08/95/622530895.db2.gz DCIXAISPDZDBHF-AEFFLSMTSA-N 2 2 300.446 3.003 20 30 DGEDLP C#CCOc1ccccc1C[NH+](C)[C@@H]1CC[N@@H+](CC)[C@H](C)C1 ZINC000769469716 622531029 /nfs/dbraw/zinc/53/10/29/622531029.db2.gz DCIXAISPDZDBHF-SJLPKXTDSA-N 2 2 300.446 3.003 20 30 DGEDLP C#CCOc1ccccc1C[NH+](C)[C@@H]1CC[N@H+](CC)[C@H](C)C1 ZINC000769469716 622531031 /nfs/dbraw/zinc/53/10/31/622531031.db2.gz DCIXAISPDZDBHF-SJLPKXTDSA-N 2 2 300.446 3.003 20 30 DGEDLP C#CCOc1ccccc1C[N@@H+](C)[C@@H]1CC[NH+](CC)[C@H](C)C1 ZINC000769469716 622531033 /nfs/dbraw/zinc/53/10/33/622531033.db2.gz DCIXAISPDZDBHF-SJLPKXTDSA-N 2 2 300.446 3.003 20 30 DGEDLP C#CCOc1ccccc1C[N@H+](C)[C@@H]1CC[NH+](CC)[C@H](C)C1 ZINC000769469716 622531034 /nfs/dbraw/zinc/53/10/34/622531034.db2.gz DCIXAISPDZDBHF-SJLPKXTDSA-N 2 2 300.446 3.003 20 30 DGEDLP CN(C)c1cc[nH+]cc1C=[NH+]Nc1ccc(Br)cc1 ZINC000776186529 623392372 /nfs/dbraw/zinc/39/23/72/623392372.db2.gz UJSQHQVMUTVAQJ-UHFFFAOYSA-N 2 2 319.206 3.356 20 30 DGEDLP CCC1([NH+](C)C)CC[NH+](Cc2ccc(O[C@H](C)C#N)cc2)CC1 ZINC000877689504 623992872 /nfs/dbraw/zinc/99/28/72/623992872.db2.gz HEQLVDMPJWYUEF-MRXNPFEDSA-N 2 2 315.461 3.284 20 30 DGEDLP C=CCC[C@@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)[C@H]1CCCO1 ZINC000883177358 625954906 /nfs/dbraw/zinc/95/49/06/625954906.db2.gz YSIMSQYCARSKTI-IEBWSBKVSA-N 2 2 311.429 3.476 20 30 DGEDLP C=CCC[C@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)[C@@H]1Cc2ccccc2O1 ZINC000883223285 626613842 /nfs/dbraw/zinc/61/38/42/626613842.db2.gz MASYZGBTCXYAHO-KNBMTAEXSA-N 2 2 323.440 3.195 20 30 DGEDLP C=CCC[C@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)[C@H]1Cc2ccccc2O1 ZINC000883223287 626614034 /nfs/dbraw/zinc/61/40/34/626614034.db2.gz MASYZGBTCXYAHO-RIFZZMRRSA-N 2 2 323.440 3.195 20 30 DGEDLP C=CC[NH+]1CCC([NH2+]C2CCC(C)([NH+]3CCCC3)CC2)CC1 ZINC000886524977 627156927 /nfs/dbraw/zinc/15/69/27/627156927.db2.gz UYEJLRMHCXOZNE-UHFFFAOYSA-N 3 2 305.510 3.024 20 30 DGEDLP C=CCC1(O)CC[NH+](Cc2ccc(-n3cc[nH+]c3)cc2C)CC1 ZINC000886776972 627203722 /nfs/dbraw/zinc/20/37/22/627203722.db2.gz UXMRADNURFILTC-UHFFFAOYSA-N 2 2 311.429 3.084 20 30 DGEDLP C#CC[N@@H+](C)CCC[NH2+][C@H](C)c1nc(-c2ccccc2)cs1 ZINC000815651877 627694733 /nfs/dbraw/zinc/69/47/33/627694733.db2.gz HFHDBYBZYJFOFI-OAHLLOKOSA-N 2 2 313.470 3.416 20 30 DGEDLP C#CC[N@H+](C)CCC[NH2+][C@H](C)c1nc(-c2ccccc2)cs1 ZINC000815651877 627694738 /nfs/dbraw/zinc/69/47/38/627694738.db2.gz HFHDBYBZYJFOFI-OAHLLOKOSA-N 2 2 313.470 3.416 20 30 DGEDLP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)c2cnn(C3CCC3)c2)CC1 ZINC000924990050 627699423 /nfs/dbraw/zinc/69/94/23/627699423.db2.gz XLBOGOYACPEYQJ-HNNXBMFYSA-N 2 2 302.466 3.299 20 30 DGEDLP C[C@H](C#N)Oc1ccc(C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)cc1 ZINC000848575899 631701189 /nfs/dbraw/zinc/70/11/89/631701189.db2.gz YAWOFIGAKGOGFU-AYOQOUSVSA-N 2 2 313.445 3.084 20 30 DGEDLP C[C@H](C#N)Oc1ccc(C[NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)cc1 ZINC000848575899 631701193 /nfs/dbraw/zinc/70/11/93/631701193.db2.gz YAWOFIGAKGOGFU-AYOQOUSVSA-N 2 2 313.445 3.084 20 30 DGEDLP C=C(C)C[NH2+][C@H]1CC[C@H](NC(=O)c2c(C)cc(C)[nH+]c2C)CC1 ZINC001034693197 660784325 /nfs/dbraw/zinc/78/43/25/660784325.db2.gz BXZSZECZOOPTSF-QAQDUYKDSA-N 2 2 315.461 3.214 20 30 DGEDLP C=CC[N@H+](C[C@H]1C[NH+](Cc2ccccc2)CCCO1)C(C)C ZINC000792863356 660989934 /nfs/dbraw/zinc/98/99/34/660989934.db2.gz VNFBBQMHLCWJGB-LJQANCHMSA-N 2 2 302.462 3.174 20 30 DGEDLP C=CC[N@@H+](C[C@H]1C[NH+](Cc2ccccc2)CCCO1)C(C)C ZINC000792863356 660989937 /nfs/dbraw/zinc/98/99/37/660989937.db2.gz VNFBBQMHLCWJGB-LJQANCHMSA-N 2 2 302.462 3.174 20 30 DGEDLP C=CC[NH+](C[C@H]1C[N@H+](Cc2ccccc2)CCCO1)C(C)C ZINC000792863356 660989942 /nfs/dbraw/zinc/98/99/42/660989942.db2.gz VNFBBQMHLCWJGB-LJQANCHMSA-N 2 2 302.462 3.174 20 30 DGEDLP C=CC[NH+](C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)C(C)C ZINC000792863356 660989943 /nfs/dbraw/zinc/98/99/43/660989943.db2.gz VNFBBQMHLCWJGB-LJQANCHMSA-N 2 2 302.462 3.174 20 30 DGEDLP CCN(CC)C(=[NH2+])NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000303878979 657570339 /nfs/dbraw/zinc/57/03/39/657570339.db2.gz GHUFMGDZBJPSPL-INIZCTEOSA-N 2 2 322.884 3.133 20 30 DGEDLP C=CC[NH2+][C@H]1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)C[C@H]1CC ZINC001037892433 658501312 /nfs/dbraw/zinc/50/13/12/658501312.db2.gz NHIRARWIHFGPBJ-SJORKVTESA-N 2 2 315.461 3.023 20 30 DGEDLP Cn1c[nH+]cc1C1CC[NH+](CC#Cc2ccc(Cl)cc2)CC1 ZINC001620678553 1192063588 /nfs/dbraw/zinc/06/35/88/1192063588.db2.gz BETVRRKOSIFOEY-UHFFFAOYSA-N 2 2 313.832 3.305 20 30 DGEDLP CCCCCCC[NH2+]CCCCCCNC(=O)Cc1c[nH]c[nH+]1 ZINC001179689951 1177804311 /nfs/dbraw/zinc/80/43/11/1177804311.db2.gz SXVFZHBRUVREHF-UHFFFAOYSA-N 2 2 322.497 3.189 20 30 DGEDLP CC[C@@H]([NH2+]C[C@H]1CCC[N@H+](CC)C1)c1cccc(C#N)c1O ZINC001354203687 1180743379 /nfs/dbraw/zinc/74/33/79/1180743379.db2.gz DOPJGLNCXFKJEH-RHSMWYFYSA-N 2 2 301.434 3.036 20 30 DGEDLP CC[C@@H]([NH2+]C[C@H]1CCC[N@@H+](CC)C1)c1cccc(C#N)c1O ZINC001354203687 1180743382 /nfs/dbraw/zinc/74/33/82/1180743382.db2.gz DOPJGLNCXFKJEH-RHSMWYFYSA-N 2 2 301.434 3.036 20 30 DGEDLP Cn1c[nH+]cc1C1CC[NH+](CC#Cc2ccccc2Cl)CC1 ZINC001473895771 1183821668 /nfs/dbraw/zinc/82/16/68/1183821668.db2.gz VPYOSEXAYMHKGN-UHFFFAOYSA-N 2 2 313.832 3.305 20 30 DGEDLP C=CCCC[NH2+][C@H](C)[C@H](C)NC(=O)c1c(C)cc(C)[nH+]c1C ZINC001505659082 1186120623 /nfs/dbraw/zinc/12/06/23/1186120623.db2.gz BWTHVCHDGJAXSW-CABCVRRESA-N 2 2 303.450 3.069 20 30 DGEDLP C=CCC[NH2+]CCC[C@H](C)NC(=O)c1c(C)cc(C)[nH+]c1C ZINC001506930672 1186316086 /nfs/dbraw/zinc/31/60/86/1186316086.db2.gz LELUDXIURJEAKV-AWEZNQCLSA-N 2 2 303.450 3.071 20 30 DGEDLP C=CCC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)c1c(C)cc(C)[nH+]c1C ZINC001568532735 1190560294 /nfs/dbraw/zinc/56/02/94/1190560294.db2.gz IMVRPUWZPOSWRS-SJORKVTESA-N 2 2 315.461 3.071 20 30 DGEDLP C=CC[C@@H]1CCC[N@H+](Cc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC001647404506 1195248228 /nfs/dbraw/zinc/24/82/28/1195248228.db2.gz NGPJVRYVZSJBBI-GOSISDBHSA-N 2 2 314.473 3.307 20 30 DGEDLP C=CC[C@@H]1CCC[N@@H+](Cc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC001647404506 1195248230 /nfs/dbraw/zinc/24/82/30/1195248230.db2.gz NGPJVRYVZSJBBI-GOSISDBHSA-N 2 2 314.473 3.307 20 30 DGEDLP C#Cc1ccc(C[NH2+][C@@H](Cn2cc[nH+]c2)c2ccccc2)cc1 ZINC001651474750 1195467657 /nfs/dbraw/zinc/46/76/57/1195467657.db2.gz DSWKDKXKSNKXID-FQEVSTJZSA-N 2 2 301.393 3.396 20 30 DGEDLP C=C(CC)C[N@@H+]1CCC[NH+](Cc2ccccc2)CCOCC1 ZINC001654906401 1195853494 /nfs/dbraw/zinc/85/34/94/1195853494.db2.gz ORGCTZINGWIDHX-UHFFFAOYSA-N 2 2 302.462 3.177 20 30 DGEDLP C=C(CC)C[N@H+]1CCC[NH+](Cc2ccccc2)CCOCC1 ZINC001654906401 1195853496 /nfs/dbraw/zinc/85/34/96/1195853496.db2.gz ORGCTZINGWIDHX-UHFFFAOYSA-N 2 2 302.462 3.177 20 30 DGEDLP C=C(CC)C[NH+]1CCC[N@H+](Cc2ccccc2)CCOCC1 ZINC001654906401 1195853498 /nfs/dbraw/zinc/85/34/98/1195853498.db2.gz ORGCTZINGWIDHX-UHFFFAOYSA-N 2 2 302.462 3.177 20 30 DGEDLP C=C(CC)C[NH+]1CCC[N@@H+](Cc2ccccc2)CCOCC1 ZINC001654906401 1195853500 /nfs/dbraw/zinc/85/35/00/1195853500.db2.gz ORGCTZINGWIDHX-UHFFFAOYSA-N 2 2 302.462 3.177 20 30 DGEDLP N#Cc1cc(C[NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)cs1 ZINC001656027442 1195989386 /nfs/dbraw/zinc/98/93/86/1195989386.db2.gz OBIHIWOQDAXUFE-UHFFFAOYSA-N 2 2 308.410 3.154 20 30 DGEDLP C[C@@H](C[NH+]1CCC(C)CC1)[NH2+]C1CC(C#N)(c2ccccc2)C1 ZINC001658550723 1196272863 /nfs/dbraw/zinc/27/28/63/1196272863.db2.gz YDXSPWIGYCGDQG-KKXNLOMOSA-N 2 2 311.473 3.320 20 30 DGEDLP C=CCC[C@@H](C)[NH2+][C@H](CC)CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001665810131 1197200437 /nfs/dbraw/zinc/20/04/37/1197200437.db2.gz OYKDVIFESWMIHJ-UKRRQHHQSA-N 2 2 314.433 3.016 20 30 DGEDLP C=CCC[C@@H](C)[NH2+][C@H](C)CCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001713411060 1202646917 /nfs/dbraw/zinc/64/69/17/1202646917.db2.gz UHGLHDMVADEUPF-ZIAGYGMSSA-N 2 2 314.433 3.016 20 30 DGEDLP C=C(C)CC[NH2+]C[C@@H](NC(=O)c1c(C)cc(C)[nH+]c1C)C1CC1 ZINC001723316094 1203963109 /nfs/dbraw/zinc/96/31/09/1203963109.db2.gz QLAOTJHMWTUGRN-QGZVFWFLSA-N 2 2 315.461 3.071 20 30 DGEDLP C=C(C)CC[N@@H+](C)CCCN(C)C(=O)c1c(C)cc(C)[nH+]c1C ZINC001733774969 1205210743 /nfs/dbraw/zinc/21/07/43/1205210743.db2.gz LXGWZYMXCKIXRR-UHFFFAOYSA-N 2 2 317.477 3.367 20 30 DGEDLP C=C(C)CC[N@H+](C)CCCN(C)C(=O)c1c(C)cc(C)[nH+]c1C ZINC001733774969 1205210746 /nfs/dbraw/zinc/21/07/46/1205210746.db2.gz LXGWZYMXCKIXRR-UHFFFAOYSA-N 2 2 317.477 3.367 20 30 DGEDLP CC[NH+](CC)C1CCN(c2[nH+]ccc3ccc(C#N)cc32)CC1 ZINC001165052707 722002329 /nfs/dbraw/zinc/00/23/29/722002329.db2.gz CRHPFCCQMYNDEL-UHFFFAOYSA-N 2 2 308.429 3.417 20 30 DGEDLP C[C@H](C[NH+]1CCCC1)[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC001170359425 1082351861 /nfs/dbraw/zinc/35/18/61/1082351861.db2.gz XBMKCYVDYKPHLJ-QHGAOEGBSA-N 2 2 311.473 3.464 20 30 DGEDLP C=CCCC[NH2+][C@H](C)C[C@@H](C)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001134739930 1083326751 /nfs/dbraw/zinc/32/67/51/1083326751.db2.gz LYWZKDWLQOXSED-ZIAGYGMSSA-N 2 2 314.433 3.016 20 30 DGEDLP C=CC[NH2+][C@@H]1CCCCCN(C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001088349882 1086845376 /nfs/dbraw/zinc/84/53/76/1086845376.db2.gz HFTWNIFRTVWSTR-QGZVFWFLSA-N 2 2 315.461 3.167 20 30 DGEDLP CCCCCCC[N@H+](CC)[C@H](C)CNC(=O)CCn1cc[nH+]c1 ZINC001154540592 1088649207 /nfs/dbraw/zinc/64/92/07/1088649207.db2.gz RAUVUHOUFBARSU-QGZVFWFLSA-N 2 2 322.497 3.070 20 30 DGEDLP CCCCCCC[N@@H+](CC)[C@H](C)CNC(=O)CCn1cc[nH+]c1 ZINC001154540592 1088649212 /nfs/dbraw/zinc/64/92/12/1088649212.db2.gz RAUVUHOUFBARSU-QGZVFWFLSA-N 2 2 322.497 3.070 20 30 DGEDLP Cc1[nH+]c(NCC2C[NH+](Cc3ccccc3)C2)ccc1CC#N ZINC001156403298 1089507800 /nfs/dbraw/zinc/50/78/00/1089507800.db2.gz SRYUIMKAHKHYQG-UHFFFAOYSA-N 2 2 306.413 3.000 20 30 DGEDLP C=CCN(c1cccc(N2CC[NH+](C)CC2)[nH+]1)C1CCCCC1 ZINC001157850931 1090131837 /nfs/dbraw/zinc/13/18/37/1090131837.db2.gz WISKUUUMZMQJAQ-UHFFFAOYSA-N 2 2 314.477 3.159 20 30 DGEDLP CC(Nc1[nH]c(C)cc2nccc1-2)=[NH+]Cc1cccc(C[NH3+])c1 ZINC001163472273 1090194389 /nfs/dbraw/zinc/19/43/89/1090194389.db2.gz XUSZDBWIFKWBAH-UHFFFAOYSA-N 2 2 307.401 3.361 20 30 DGEDLP Cc1c[nH+]ccc1O[C@H]1CC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC001139650839 1091635756 /nfs/dbraw/zinc/63/57/56/1091635756.db2.gz YWWOTVXSNDRHJU-INIZCTEOSA-N 2 2 311.360 3.054 20 30 DGEDLP Cc1c[nH+]ccc1O[C@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC001139650839 1091635768 /nfs/dbraw/zinc/63/57/68/1091635768.db2.gz YWWOTVXSNDRHJU-INIZCTEOSA-N 2 2 311.360 3.054 20 30 DGEDLP Cc1ccc(C[N@H+]2CC[C@H](Oc3cc[nH+]cc3C)C2)cc1C#N ZINC001139727448 1091656668 /nfs/dbraw/zinc/65/66/68/1091656668.db2.gz REUSDYCHISJBIP-SFHVURJKSA-N 2 2 307.397 3.223 20 30 DGEDLP Cc1c[nH+]c2n1CCC21CC[NH+](Cc2ccc(C#N)cc2F)CC1 ZINC001140137038 1091781000 /nfs/dbraw/zinc/78/10/00/1091781000.db2.gz XVMHMZXJHPNZLW-UHFFFAOYSA-N 2 2 324.403 3.140 20 30 DGEDLP Cc1c[nH+]ccc1O[C@@H]1CC[N@H+](CCCc2ccc(C#N)cc2)C1 ZINC001208864304 1092550292 /nfs/dbraw/zinc/55/02/92/1092550292.db2.gz OTSAWZAJXRFPOH-LJQANCHMSA-N 2 2 321.424 3.348 20 30 DGEDLP Cc1c[nH+]ccc1O[C@@H]1CC[N@@H+](CCCc2ccc(C#N)cc2)C1 ZINC001208864304 1092550303 /nfs/dbraw/zinc/55/03/03/1092550303.db2.gz OTSAWZAJXRFPOH-LJQANCHMSA-N 2 2 321.424 3.348 20 30 DGEDLP C=C(C)C[NH2+][C@H](C)C[C@H](C)NC(=O)c1c(C)cc(C)[nH+]c1C ZINC001135042681 1094373688 /nfs/dbraw/zinc/37/36/88/1094373688.db2.gz CDDGAWYFNLRUNC-HIFRSBDPSA-N 2 2 303.450 3.069 20 30 DGEDLP C=CCCC[NH2+][C@@H](C)C[C@H](C)NC(=O)c1c(C)cc(C)[nH+]c1C ZINC001135044242 1094377946 /nfs/dbraw/zinc/37/79/46/1094377946.db2.gz RAGWPMRMYAVPDE-HOCLYGCPSA-N 2 2 317.477 3.460 20 30 DGEDLP C[C@@H](Cc1cccc(C#N)c1)[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC001171189295 1095673346 /nfs/dbraw/zinc/67/33/46/1095673346.db2.gz COQIPPHEFPUEFM-INIZCTEOSA-N 2 2 320.440 3.143 20 30 DGEDLP C#Cc1ccc(C[N@@H+]2C[C@@H]3C[NH+](Cc4cccs4)C[C@@H]3C2)cc1 ZINC001144569651 1095719119 /nfs/dbraw/zinc/71/91/19/1095719119.db2.gz WFDOARYRBOVAJT-KDURUIRLSA-N 2 2 322.477 3.293 20 30 DGEDLP C#Cc1ccc(C[N@H+]2C[C@@H]3C[NH+](Cc4cccs4)C[C@@H]3C2)cc1 ZINC001144569651 1095719126 /nfs/dbraw/zinc/71/91/26/1095719126.db2.gz WFDOARYRBOVAJT-KDURUIRLSA-N 2 2 322.477 3.293 20 30 DGEDLP C#Cc1ccc(C[NH+]2C[C@@H]3C[N@H+](Cc4cccs4)C[C@@H]3C2)cc1 ZINC001144569651 1095719132 /nfs/dbraw/zinc/71/91/32/1095719132.db2.gz WFDOARYRBOVAJT-KDURUIRLSA-N 2 2 322.477 3.293 20 30 DGEDLP C#Cc1ccc(C[NH+]2C[C@@H]3C[N@@H+](Cc4cccs4)C[C@@H]3C2)cc1 ZINC001144569651 1095719140 /nfs/dbraw/zinc/71/91/40/1095719140.db2.gz WFDOARYRBOVAJT-KDURUIRLSA-N 2 2 322.477 3.293 20 30 DGEDLP C=C(C)C[NH2+]CCCC[C@@H](C)NC(=O)c1c(C)cc(C)[nH+]c1C ZINC001171859265 1096992812 /nfs/dbraw/zinc/99/28/12/1096992812.db2.gz AJZHRAIMXZMXDZ-OAHLLOKOSA-N 2 2 317.477 3.461 20 30 DGEDLP C[C@H](CCCC#N)[NH2+]C1CC[NH+](Cc2ccc(O)cc2)CC1 ZINC001172488858 1097167194 /nfs/dbraw/zinc/16/71/94/1097167194.db2.gz OUZKQGMKOBWGSH-OAHLLOKOSA-N 2 2 301.434 3.029 20 30 DGEDLP C[N@H+](Cc1ccc(C#N)s1)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001232846217 1098152123 /nfs/dbraw/zinc/15/21/23/1098152123.db2.gz CBHUKESYDRFRAH-UHFFFAOYSA-N 2 2 308.410 3.437 20 30 DGEDLP C[N@@H+](Cc1ccc(C#N)s1)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001232846217 1098152124 /nfs/dbraw/zinc/15/21/24/1098152124.db2.gz CBHUKESYDRFRAH-UHFFFAOYSA-N 2 2 308.410 3.437 20 30 DGEDLP Cc1cc(C#N)ccc1C[NH+]1CCC([NH+]2CCC(F)CC2)CC1 ZINC001233083019 1098222490 /nfs/dbraw/zinc/22/24/90/1098222490.db2.gz PDNQHUJJPKRBIE-UHFFFAOYSA-N 2 2 315.436 3.265 20 30 DGEDLP C(#Cc1ccccc1)c1ccc(C[N@@H+]2CCC23CC[NH2+]CC3)s1 ZINC001235103224 1098802164 /nfs/dbraw/zinc/80/21/64/1098802164.db2.gz UTGQAAOVPXOJAL-UHFFFAOYSA-N 2 2 322.477 3.476 20 30 DGEDLP C(#Cc1ccccc1)c1ccc(C[N@H+]2CCC23CC[NH2+]CC3)s1 ZINC001235103224 1098802173 /nfs/dbraw/zinc/80/21/73/1098802173.db2.gz UTGQAAOVPXOJAL-UHFFFAOYSA-N 2 2 322.477 3.476 20 30 DGEDLP C=C(C)CC[NH2+]CCCCCCNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001179705544 1099179375 /nfs/dbraw/zinc/17/93/75/1099179375.db2.gz IOLIDAWSOHPSKF-KRWDZBQOSA-N 2 2 320.481 3.067 20 30 DGEDLP CC[N@H+](CC[NH3+])Cc1ccc(N(C)c2ccc(C#N)cc2)cc1 ZINC001236141920 1099427942 /nfs/dbraw/zinc/42/79/42/1099427942.db2.gz OPISRFRJICIQRX-UHFFFAOYSA-N 2 2 308.429 3.107 20 30 DGEDLP CC[N@@H+](CC[NH3+])Cc1ccc(N(C)c2ccc(C#N)cc2)cc1 ZINC001236141920 1099427949 /nfs/dbraw/zinc/42/79/49/1099427949.db2.gz OPISRFRJICIQRX-UHFFFAOYSA-N 2 2 308.429 3.107 20 30 DGEDLP [NH3+][C@H](Cc1ccccc1)C[NH+]1CCC(C#Cc2ccccc2)CC1 ZINC001236303017 1099524353 /nfs/dbraw/zinc/52/43/53/1099524353.db2.gz KTFPDCFPXVDUDR-JOCHJYFZSA-N 2 2 318.464 3.320 20 30 DGEDLP CC(C)(C)C[N@H+](Cc1ccc(F)cc1C#N)C1CC[NH2+]CC1 ZINC001236456688 1099620083 /nfs/dbraw/zinc/62/00/83/1099620083.db2.gz DZKKYMKGIKOMAF-UHFFFAOYSA-N 2 2 303.425 3.297 20 30 DGEDLP CC(C)(C)C[N@@H+](Cc1ccc(F)cc1C#N)C1CC[NH2+]CC1 ZINC001236456688 1099620088 /nfs/dbraw/zinc/62/00/88/1099620088.db2.gz DZKKYMKGIKOMAF-UHFFFAOYSA-N 2 2 303.425 3.297 20 30 DGEDLP N#Cc1ccc(C[N@H+]([C@H]2CC[NH2+]C2)C2CCCCC2)cc1F ZINC001236650720 1099721652 /nfs/dbraw/zinc/72/16/52/1099721652.db2.gz DPSOYGFZXBHQIW-KRWDZBQOSA-N 2 2 301.409 3.194 20 30 DGEDLP N#Cc1ccc(C[N@@H+]([C@H]2CC[NH2+]C2)C2CCCCC2)cc1F ZINC001236650720 1099721657 /nfs/dbraw/zinc/72/16/57/1099721657.db2.gz DPSOYGFZXBHQIW-KRWDZBQOSA-N 2 2 301.409 3.194 20 30 DGEDLP N#Cc1ccc2[nH]cc(C[N@H+](C3CCC3)[C@@H]3CCC[NH2+]C3)c2c1 ZINC001237152975 1100001556 /nfs/dbraw/zinc/00/15/56/1100001556.db2.gz ACEQUZNZNMPULC-QGZVFWFLSA-N 2 2 308.429 3.146 20 30 DGEDLP N#Cc1ccc2[nH]cc(C[N@@H+](C3CCC3)[C@@H]3CCC[NH2+]C3)c2c1 ZINC001237152975 1100001562 /nfs/dbraw/zinc/00/15/62/1100001562.db2.gz ACEQUZNZNMPULC-QGZVFWFLSA-N 2 2 308.429 3.146 20 30 DGEDLP Cn1cc(C[NH+]2CCC([NH+]3CCCC3)CC2)c2cc(C#N)ccc21 ZINC001237467086 1100133623 /nfs/dbraw/zinc/13/36/23/1100133623.db2.gz RQOLRFRKCLQMHO-UHFFFAOYSA-N 2 2 322.456 3.110 20 30 DGEDLP CCCCCCC[NH+]1C[C@@H]2C[NH+](Cc3ccccn3)C[C@H]2C1 ZINC001201762795 1102721995 /nfs/dbraw/zinc/72/19/95/1102721995.db2.gz VOUXTIVUEKRJQQ-QZTJIDSGSA-N 2 2 301.478 3.416 20 30 DGEDLP N#CC1(c2cccc(-c3cccc(C[N@H+]4CC[C@@H]([NH3+])C4)c3)c2)CC1 ZINC001244076651 1103191474 /nfs/dbraw/zinc/19/14/74/1103191474.db2.gz LIBSAZNWQRMTHD-HXUWFJFHSA-N 2 2 317.436 3.442 20 30 DGEDLP N#CC1(c2cccc(-c3cccc(C[N@@H+]4CC[C@@H]([NH3+])C4)c3)c2)CC1 ZINC001244076651 1103191483 /nfs/dbraw/zinc/19/14/83/1103191483.db2.gz LIBSAZNWQRMTHD-HXUWFJFHSA-N 2 2 317.436 3.442 20 30 DGEDLP CCc1cc(-c2cccc(C[N@@H+]3CC[C@@H]([NH3+])C3)c2)ccc1C#N ZINC001244954853 1103778649 /nfs/dbraw/zinc/77/86/49/1103778649.db2.gz FEDCNRXVMLDMLR-HXUWFJFHSA-N 2 2 305.425 3.321 20 30 DGEDLP CCc1cc(-c2cccc(C[N@H+]3CC[C@@H]([NH3+])C3)c2)ccc1C#N ZINC001244954853 1103778658 /nfs/dbraw/zinc/77/86/58/1103778658.db2.gz FEDCNRXVMLDMLR-HXUWFJFHSA-N 2 2 305.425 3.321 20 30 DGEDLP N#CC1(c2ccc(F)cc2)CCC(n2cc[nH+]c2CC[NH3+])CC1 ZINC001254345224 1106057359 /nfs/dbraw/zinc/05/73/59/1106057359.db2.gz UURBEPKIYGYZLC-UHFFFAOYSA-N 2 2 312.392 3.100 20 30 DGEDLP N#C[C@@H]1CC[C@H]([NH+]2CCC([NH3+])(c3ccccc3Cl)CC2)C1 ZINC001254646991 1106121707 /nfs/dbraw/zinc/12/17/07/1106121707.db2.gz DRNJYPRHWVBDSJ-KGLIPLIRSA-N 2 2 303.837 3.282 20 30 DGEDLP C[N@H+](Cc1cccc(F)c1)C1CC[NH+]([C@@H]2CC[C@@H](C#N)C2)CC1 ZINC001254673962 1106130441 /nfs/dbraw/zinc/13/04/41/1106130441.db2.gz RTOVANSREVLDPP-DNVCBOLYSA-N 2 2 315.436 3.414 20 30 DGEDLP C[N@@H+](Cc1cccc(F)c1)C1CC[NH+]([C@@H]2CC[C@@H](C#N)C2)CC1 ZINC001254673962 1106130445 /nfs/dbraw/zinc/13/04/45/1106130445.db2.gz RTOVANSREVLDPP-DNVCBOLYSA-N 2 2 315.436 3.414 20 30 DGEDLP N#Cc1coc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c1 ZINC001255136254 1106188355 /nfs/dbraw/zinc/18/83/55/1106188355.db2.gz OKUWUAUHVSOCLS-REPLKXPHSA-N 2 2 321.424 3.436 20 30 DGEDLP N#Cc1coc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC001255136254 1106188358 /nfs/dbraw/zinc/18/83/58/1106188358.db2.gz OKUWUAUHVSOCLS-REPLKXPHSA-N 2 2 321.424 3.436 20 30 DGEDLP N#Cc1ccc(C[NH2+][C@@H]2CCC[N@H+](Cc3ccccc3)CC2)o1 ZINC001255390945 1106239646 /nfs/dbraw/zinc/23/96/46/1106239646.db2.gz LQTDZDNEFBONRC-QGZVFWFLSA-N 2 2 309.413 3.296 20 30 DGEDLP N#Cc1ccc(C[NH2+][C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)o1 ZINC001255390945 1106239650 /nfs/dbraw/zinc/23/96/50/1106239650.db2.gz LQTDZDNEFBONRC-QGZVFWFLSA-N 2 2 309.413 3.296 20 30 DGEDLP C=CCC[C@H](C)[NH2+]CCSCc1csc(C[NH+](C)C)n1 ZINC001258718091 1106926201 /nfs/dbraw/zinc/92/62/01/1106926201.db2.gz FXLCXSVEZIMISO-ZDUSSCGKSA-N 2 2 313.536 3.382 20 30 DGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]C[C@@H]3CC=CCC3)CC2)cc1 ZINC000181589906 199323679 /nfs/dbraw/zinc/32/36/79/199323679.db2.gz ZWYAXQIYLVOCPD-GOSISDBHSA-N 2 2 309.457 3.469 20 30 DGEDLP C=CC[NH+]1CCC([NH2+][C@H](C)[C@@H](C)c2ccc(OC)cc2)CC1 ZINC000177910095 186202525 /nfs/dbraw/zinc/20/25/25/186202525.db2.gz BHIQTLVMIJHNNS-HZPDHXFCSA-N 2 2 302.462 3.427 20 30 DGEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000177907972 186202828 /nfs/dbraw/zinc/20/28/28/186202828.db2.gz WDTFIICOCOYGFD-AWEZNQCLSA-N 2 2 303.406 3.204 20 30 DGEDLP COc1ccc(C[NH2+]CCCc2[nH]c3ccccc3[nH+]2)cc1C#N ZINC000174308600 198318365 /nfs/dbraw/zinc/31/83/65/198318365.db2.gz WQINXIUHTCQSCG-UHFFFAOYSA-N 2 2 320.396 3.166 20 30 DGEDLP N#Cc1ccc(C[NH2+]C[C@H]2CCC[N@H+](Cc3cccs3)C2)o1 ZINC000174325092 198320233 /nfs/dbraw/zinc/32/02/33/198320233.db2.gz MUTFHGOYSXHRLC-CQSZACIVSA-N 2 2 315.442 3.215 20 30 DGEDLP N#Cc1ccc(C[NH2+]C[C@H]2CCC[N@@H+](Cc3cccs3)C2)o1 ZINC000174325092 198320235 /nfs/dbraw/zinc/32/02/35/198320235.db2.gz MUTFHGOYSXHRLC-CQSZACIVSA-N 2 2 315.442 3.215 20 30 DGEDLP N#C[C@@H]1CC[C@H]([NH2+]C2CC[NH+](Cc3ccc(F)cc3)CC2)C1 ZINC000442713390 239115639 /nfs/dbraw/zinc/11/56/39/239115639.db2.gz WNDJJCZFWRUSGL-QAPCUYQASA-N 2 2 301.409 3.072 20 30 DGEDLP C[C@@H]1C[C@@H](C)C[NH+](CCC[NH2+]Cc2ccc(C#N)cc2F)C1 ZINC000343571717 254162829 /nfs/dbraw/zinc/16/28/29/254162829.db2.gz CAADZVAOIFIZJB-HUUCEWRRSA-N 2 2 303.425 3.155 20 30 DGEDLP N#Cc1ccc(C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c(F)c1 ZINC000157115284 197162676 /nfs/dbraw/zinc/16/26/76/197162676.db2.gz GZYIRJBANZUPSU-QGZVFWFLSA-N 2 2 301.409 3.148 20 30 DGEDLP N#Cc1ccc(C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c(F)c1 ZINC000157115284 197162678 /nfs/dbraw/zinc/16/26/78/197162678.db2.gz GZYIRJBANZUPSU-QGZVFWFLSA-N 2 2 301.409 3.148 20 30 DGEDLP C[C@H]([NH3+])[C@@H]1CCC[N@H+](Cc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000595893658 400289584 /nfs/dbraw/zinc/28/95/84/400289584.db2.gz YAZMEGXIXIEMQI-WCQYABFASA-N 2 2 311.351 3.136 20 30 DGEDLP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000595893658 400289589 /nfs/dbraw/zinc/28/95/89/400289589.db2.gz YAZMEGXIXIEMQI-WCQYABFASA-N 2 2 311.351 3.136 20 30 DGEDLP N#Cc1ccc(C[N@H+]2CCCC[C@@H]2CC[NH3+])c(C(F)(F)F)c1 ZINC000595895948 400290700 /nfs/dbraw/zinc/29/07/00/400290700.db2.gz XAJOZIOIQFPVME-CQSZACIVSA-N 2 2 311.351 3.280 20 30 DGEDLP N#Cc1ccc(C[N@@H+]2CCCC[C@@H]2CC[NH3+])c(C(F)(F)F)c1 ZINC000595895948 400290702 /nfs/dbraw/zinc/29/07/02/400290702.db2.gz XAJOZIOIQFPVME-CQSZACIVSA-N 2 2 311.351 3.280 20 30 DGEDLP N#Cc1ccc(C[N@@H+]2CCC[C@@H]3C[NH2+]CC[C@@H]32)c(C(F)(F)F)c1 ZINC000601333880 400292313 /nfs/dbraw/zinc/29/23/13/400292313.db2.gz HMACXXCNBOGRPH-CJNGLKHVSA-N 2 2 323.362 3.151 20 30 DGEDLP N#Cc1ccc(C[N@H+]2CCC[C@@H]3C[NH2+]CC[C@@H]32)c(C(F)(F)F)c1 ZINC000601333880 400292319 /nfs/dbraw/zinc/29/23/19/400292319.db2.gz HMACXXCNBOGRPH-CJNGLKHVSA-N 2 2 323.362 3.151 20 30 DGEDLP CC1(C#N)CCC([NH2+]Cc2ccccc2Cn2cc[nH+]c2)CC1 ZINC000590643234 400407723 /nfs/dbraw/zinc/40/77/23/400407723.db2.gz PITJBMABXBQEAO-UHFFFAOYSA-N 2 2 308.429 3.493 20 30 DGEDLP COc1ccc([C@@H](C[NH2+]C[C@@H](C)CCC#N)[NH+]2CCCC2)cc1 ZINC000602505860 400482455 /nfs/dbraw/zinc/48/24/55/400482455.db2.gz AYKNSXFLGRDPES-QFBILLFUSA-N 2 2 315.461 3.362 20 30 DGEDLP N#CC1CCC([NH2+]C2CC[NH+](Cc3ccc(F)cc3)CC2)CC1 ZINC000602517029 400486017 /nfs/dbraw/zinc/48/60/17/400486017.db2.gz ADPKTQFEOXPGFJ-UHFFFAOYSA-N 2 2 315.436 3.462 20 30 DGEDLP C[C@@H](CCC#N)C[NH2+]CC1([NH+]2CCSCC2)CCCCC1 ZINC000602546473 400493211 /nfs/dbraw/zinc/49/32/11/400493211.db2.gz TYWSEFMQJIBQMF-INIZCTEOSA-N 2 2 309.523 3.268 20 30 DGEDLP C[C@H](CCC#N)C[N@H+](C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000602684986 400538222 /nfs/dbraw/zinc/53/82/22/400538222.db2.gz CTBBHIKGBYSNAP-CYBMUJFWSA-N 2 2 305.388 3.275 20 30 DGEDLP C[C@H](CCC#N)C[N@@H+](C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000602684986 400538224 /nfs/dbraw/zinc/53/82/24/400538224.db2.gz CTBBHIKGBYSNAP-CYBMUJFWSA-N 2 2 305.388 3.275 20 30 DGEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2cnc(-c3ccccc3)nc2)CC1 ZINC000592291154 400633937 /nfs/dbraw/zinc/63/39/37/400633937.db2.gz QTABASOQMAGKET-UHFFFAOYSA-N 2 2 322.456 3.274 20 30 DGEDLP N#Cc1ccc2c(c1)CC[C@H]2[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000618801748 400692118 /nfs/dbraw/zinc/69/21/18/400692118.db2.gz BWBISKUJTLTVAZ-LJQANCHMSA-N 2 2 318.424 3.199 20 30 DGEDLP N#CC1(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)CCCC1 ZINC000593653721 400886082 /nfs/dbraw/zinc/88/60/82/400886082.db2.gz VINRDCYJPXCHQI-UHFFFAOYSA-N 2 2 311.473 3.367 20 30 DGEDLP CSC1(C[NH2+]C2CC[NH+](Cc3cccc(C#N)c3)CC2)CC1 ZINC000593694869 400892859 /nfs/dbraw/zinc/89/28/59/400892859.db2.gz DCNGWDQOOSLXNX-UHFFFAOYSA-N 2 2 315.486 3.008 20 30 DGEDLP N#Cc1ccc(C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)c(F)c1 ZINC000237711421 400993101 /nfs/dbraw/zinc/99/31/01/400993101.db2.gz KVEXVRCHMLIOJV-UHFFFAOYSA-N 2 2 306.344 3.173 20 30 DGEDLP CC[NH+](CC)[C@@H](CNC(=[NH2+])Nc1ccccc1)c1ccsc1 ZINC000066242998 401297853 /nfs/dbraw/zinc/29/78/53/401297853.db2.gz LQUZSJBHDUQXJG-INIZCTEOSA-N 2 2 316.474 3.367 20 30 DGEDLP C=CC[NH+]1CCC([NH2+][C@H]2CCCOc3cc(F)ccc32)CC1 ZINC000182069301 432156901 /nfs/dbraw/zinc/15/69/01/432156901.db2.gz UHSNHOIBGVBFOK-KRWDZBQOSA-N 2 2 304.409 3.279 20 30 DGEDLP N#Cc1cc(F)ccc1C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246948490 432183550 /nfs/dbraw/zinc/18/35/50/432183550.db2.gz UMBDTMHMOZEOST-HNAYVOBHSA-N 2 2 313.420 3.146 20 30 DGEDLP N#Cc1cc(F)ccc1C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246948490 432183551 /nfs/dbraw/zinc/18/35/51/432183551.db2.gz UMBDTMHMOZEOST-HNAYVOBHSA-N 2 2 313.420 3.146 20 30 DGEDLP N#Cc1cc(F)ccc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246948490 432183553 /nfs/dbraw/zinc/18/35/53/432183553.db2.gz UMBDTMHMOZEOST-HNAYVOBHSA-N 2 2 313.420 3.146 20 30 DGEDLP N#Cc1cc(F)ccc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246948490 432183554 /nfs/dbraw/zinc/18/35/54/432183554.db2.gz UMBDTMHMOZEOST-HNAYVOBHSA-N 2 2 313.420 3.146 20 30 DGEDLP CC(C)[NH+]1CCC([N@H+](C)CC#Cc2cccc(Cl)c2)CC1 ZINC000269612180 432187861 /nfs/dbraw/zinc/18/78/61/432187861.db2.gz YZVOWMDNKMLNJY-UHFFFAOYSA-N 2 2 304.865 3.496 20 30 DGEDLP CC(C)[NH+]1CCC([N@@H+](C)CC#Cc2cccc(Cl)c2)CC1 ZINC000269612180 432187864 /nfs/dbraw/zinc/18/78/64/432187864.db2.gz YZVOWMDNKMLNJY-UHFFFAOYSA-N 2 2 304.865 3.496 20 30 DGEDLP N#C[C@@H]1CCC[C@H]([NH2+]C2CC[NH+](Cc3ccc(F)cc3)CC2)C1 ZINC000185786998 228396771 /nfs/dbraw/zinc/39/67/71/228396771.db2.gz SBOZLVJPEAISLY-APWZRJJASA-N 2 2 315.436 3.462 20 30 DGEDLP N#C[C@@H]1CCC[C@@H]([NH2+]C2CC[NH+](Cc3ccc(F)cc3)CC2)C1 ZINC000185786982 228397401 /nfs/dbraw/zinc/39/74/01/228397401.db2.gz SBOZLVJPEAISLY-VQIMIIECSA-N 2 2 315.436 3.462 20 30 DGEDLP C[C@@H]1[C@H]([NH2+]Cc2ccc(C#N)c(F)c2)CC[N@@H+]1Cc1ccccc1 ZINC000404042964 267111441 /nfs/dbraw/zinc/11/14/41/267111441.db2.gz ICOUZMRAMFBPRN-FOIQADDNSA-N 2 2 323.415 3.450 20 30 DGEDLP C[C@@H]1[C@H]([NH2+]Cc2ccc(C#N)c(F)c2)CC[N@H+]1Cc1ccccc1 ZINC000404042964 267111444 /nfs/dbraw/zinc/11/14/44/267111444.db2.gz ICOUZMRAMFBPRN-FOIQADDNSA-N 2 2 323.415 3.450 20 30 DGEDLP N#Cc1ccc2c(c1)[C@H]([NH2+]CCc1cn3ccccc3[nH+]1)CC2 ZINC000353262766 268223652 /nfs/dbraw/zinc/22/36/52/268223652.db2.gz IWIWHKGJDNSBAK-GOSISDBHSA-N 2 2 302.381 3.026 20 30 DGEDLP CC#CC[N@@H+](CCCn1cc[nH+]c1)Cc1ccccc1OCC ZINC000119653694 431713136 /nfs/dbraw/zinc/71/31/36/431713136.db2.gz NLWPVSSNIZAWMR-UHFFFAOYSA-N 2 2 311.429 3.197 20 30 DGEDLP CC#CC[N@H+](CCCn1cc[nH+]c1)Cc1ccccc1OCC ZINC000119653694 431713140 /nfs/dbraw/zinc/71/31/40/431713140.db2.gz NLWPVSSNIZAWMR-UHFFFAOYSA-N 2 2 311.429 3.197 20 30 DGEDLP C=CC[NH+](CC=C)[C@@H](CNC(=O)Nc1cc[nH+]cc1C)C(C)C ZINC000120315944 431723780 /nfs/dbraw/zinc/72/37/80/431723780.db2.gz DNBKIGRQJFJFBK-KRWDZBQOSA-N 2 2 316.449 3.210 20 30 DGEDLP N#Cc1ccc(C[NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)cc1 ZINC000047797730 431915616 /nfs/dbraw/zinc/91/56/16/431915616.db2.gz KBPJUAYCUNQVSE-UHFFFAOYSA-N 2 2 306.344 3.173 20 30 DGEDLP N#CC1(c2ccccc2)CC([NH2+]CCc2cn3ccccc3[nH+]2)C1 ZINC000125770315 431935624 /nfs/dbraw/zinc/93/56/24/431935624.db2.gz LFDHABRZASJOLN-UHFFFAOYSA-N 2 2 316.408 3.090 20 30 DGEDLP C=CC[C@H](C)[C@@H](C)[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000191839320 432308843 /nfs/dbraw/zinc/30/88/43/432308843.db2.gz KQXZGOIJDOXJHY-NLWGTHIKSA-N 2 2 316.489 3.468 20 30 DGEDLP C=CC[C@H](C)[C@@H](C)[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000191839320 432308845 /nfs/dbraw/zinc/30/88/45/432308845.db2.gz KQXZGOIJDOXJHY-NLWGTHIKSA-N 2 2 316.489 3.468 20 30 DGEDLP N#Cc1ccc(F)c(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1 ZINC000252692382 432385833 /nfs/dbraw/zinc/38/58/33/432385833.db2.gz BGRSMVCDEQPTIM-KXBFYZLASA-N 2 2 313.420 3.146 20 30 DGEDLP N#Cc1ccc(F)c(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1 ZINC000252692382 432385841 /nfs/dbraw/zinc/38/58/41/432385841.db2.gz BGRSMVCDEQPTIM-KXBFYZLASA-N 2 2 313.420 3.146 20 30 DGEDLP N#Cc1ccc(F)c(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000252692382 432385845 /nfs/dbraw/zinc/38/58/45/432385845.db2.gz BGRSMVCDEQPTIM-KXBFYZLASA-N 2 2 313.420 3.146 20 30 DGEDLP N#Cc1ccc(F)c(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000252692382 432385848 /nfs/dbraw/zinc/38/58/48/432385848.db2.gz BGRSMVCDEQPTIM-KXBFYZLASA-N 2 2 313.420 3.146 20 30 DGEDLP N#C[C@H]1CCC[C@@H]([NH2+]CC2([NH+]3CCSCC3)CCCC2)C1 ZINC000192663645 432398541 /nfs/dbraw/zinc/39/85/41/432398541.db2.gz FFNDHACLUCWDEE-JKSUJKDBSA-N 2 2 307.507 3.020 20 30 DGEDLP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)c2cc(OC)ccc2OC)CC1 ZINC000152947081 432370355 /nfs/dbraw/zinc/37/03/55/432370355.db2.gz UQUYPXPUVQYDPB-HNNXBMFYSA-N 2 2 318.461 3.395 20 30 DGEDLP C=CCOc1ccc(C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)cc1Cl ZINC000261918876 432459404 /nfs/dbraw/zinc/45/94/04/432459404.db2.gz BKJAOQWZZNKFPL-QGZVFWFLSA-N 2 2 306.837 3.090 20 30 DGEDLP C=CCOc1ccc(C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)cc1Cl ZINC000261918876 432459409 /nfs/dbraw/zinc/45/94/09/432459409.db2.gz BKJAOQWZZNKFPL-QGZVFWFLSA-N 2 2 306.837 3.090 20 30 DGEDLP Cc1cc(N2CC[NH+](C)CC2)ccc1[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000193072541 432445161 /nfs/dbraw/zinc/44/51/61/432445161.db2.gz RCQYKLRDMZPYDQ-DLBZAZTESA-N 2 2 312.461 3.241 20 30 DGEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)c2ccc(OC)cc2OC)CC1 ZINC000177911819 432672208 /nfs/dbraw/zinc/67/22/08/432672208.db2.gz JEIVGQXNYYLYOE-AWEZNQCLSA-N 2 2 304.434 3.005 20 30 DGEDLP O=c1[nH]c2ccccc2cc1C=[NH+]CC1CC[NH+](C2CC2)CC1 ZINC000278187749 432889287 /nfs/dbraw/zinc/88/92/87/432889287.db2.gz REELSYJIXRHUFH-DEDYPNTBSA-N 2 2 309.413 3.234 20 30 DGEDLP C[C@H](C#N)Oc1ccc(C[N@@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000245724435 432858857 /nfs/dbraw/zinc/85/88/57/432858857.db2.gz DQDJKTXGDNSWMZ-MDZRGWNJSA-N 2 2 324.428 3.257 20 30 DGEDLP C[C@H](C#N)Oc1ccc(C[N@@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)cc1 ZINC000245724426 432859018 /nfs/dbraw/zinc/85/90/18/432859018.db2.gz DQDJKTXGDNSWMZ-GPMSIDNRSA-N 2 2 324.428 3.257 20 30 DGEDLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@H]1CC[C@@H](C#N)C1 ZINC000278535409 432897312 /nfs/dbraw/zinc/89/73/12/432897312.db2.gz FOBABAQWKFEWED-MSOLQXFVSA-N 2 2 312.461 3.312 20 30 DGEDLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@H]1CC[C@@H](C#N)C1 ZINC000278535409 432897316 /nfs/dbraw/zinc/89/73/16/432897316.db2.gz FOBABAQWKFEWED-MSOLQXFVSA-N 2 2 312.461 3.312 20 30 DGEDLP Cc1cc(NCC(C)(C)[NH2+][C@@H](C)c2ccccc2)c(C#N)c[nH+]1 ZINC000425232855 433127764 /nfs/dbraw/zinc/12/77/64/433127764.db2.gz WDRZUGDNENHHQD-HNNXBMFYSA-N 2 2 308.429 3.225 20 30 DGEDLP C=C[C@H]1CCCC[NH+]1Cc1nc2c(s1)C[N@H+](C(C)C)CC2 ZINC000426564050 433530518 /nfs/dbraw/zinc/53/05/18/433530518.db2.gz AMZKHOOBJFFKCA-AWEZNQCLSA-N 2 2 305.491 3.450 20 30 DGEDLP C=C[C@H]1CCCC[NH+]1Cc1nc2c(s1)C[N@@H+](C(C)C)CC2 ZINC000426564050 433530525 /nfs/dbraw/zinc/53/05/25/433530525.db2.gz AMZKHOOBJFFKCA-AWEZNQCLSA-N 2 2 305.491 3.450 20 30 DGEDLP C=C[C@H]1CCCC[N@H+]1Cc1nc2c(s1)C[NH+](C(C)C)CC2 ZINC000426564050 433530534 /nfs/dbraw/zinc/53/05/34/433530534.db2.gz AMZKHOOBJFFKCA-AWEZNQCLSA-N 2 2 305.491 3.450 20 30 DGEDLP C=C[C@H]1CCCC[N@@H+]1Cc1nc2c(s1)C[NH+](C(C)C)CC2 ZINC000426564050 433530541 /nfs/dbraw/zinc/53/05/41/433530541.db2.gz AMZKHOOBJFFKCA-AWEZNQCLSA-N 2 2 305.491 3.450 20 30 DGEDLP COc1cc(C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)ccc1C#N ZINC000282215837 433532798 /nfs/dbraw/zinc/53/27/98/433532798.db2.gz HOXQDSBMDZRTDV-SFHVURJKSA-N 2 2 313.445 3.017 20 30 DGEDLP COc1cc(C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)ccc1C#N ZINC000282215837 433532807 /nfs/dbraw/zinc/53/28/07/433532807.db2.gz HOXQDSBMDZRTDV-SFHVURJKSA-N 2 2 313.445 3.017 20 30 DGEDLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+]Cc2ccc(C#N)cc2)C1 ZINC000356923108 433769817 /nfs/dbraw/zinc/76/98/17/433769817.db2.gz QYWBGGAYGBMDEZ-UZLBHIALSA-N 2 2 305.425 3.483 20 30 DGEDLP C[C@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+]Cc2ccc(C#N)cc2)C1 ZINC000356923108 433769826 /nfs/dbraw/zinc/76/98/26/433769826.db2.gz QYWBGGAYGBMDEZ-UZLBHIALSA-N 2 2 305.425 3.483 20 30 DGEDLP C=C(C)C[NH+]1CCC(Nc2nc(C)[nH+]c3c2CCCC3)CC1 ZINC000302056411 433814515 /nfs/dbraw/zinc/81/45/15/433814515.db2.gz QQMIBSNMYBBNQA-UHFFFAOYSA-N 2 2 300.450 3.116 20 30 DGEDLP C[C@@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1ccc(C#N)c(F)c1 ZINC000346185107 434179361 /nfs/dbraw/zinc/17/93/61/434179361.db2.gz NTJQBINWFYTZGC-CYBMUJFWSA-N 2 2 312.392 3.123 20 30 DGEDLP N#Cc1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1[NH2+]CCc3ccccc31)CC2 ZINC000423416732 434415829 /nfs/dbraw/zinc/41/58/29/434415829.db2.gz FZJODGIDONCOCK-PMACEKPBSA-N 2 2 303.409 3.022 20 30 DGEDLP O=C(C[NH+]1CCC(c2[nH]cc[nH+]2)CC1)NCC1CCCCC1 ZINC000329687506 434464032 /nfs/dbraw/zinc/46/40/32/434464032.db2.gz AOHYPGLWEHQCQB-UHFFFAOYSA-N 2 2 304.438 3.126 20 30 DGEDLP C[C@H](C#N)Oc1ccc(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000369462068 434596384 /nfs/dbraw/zinc/59/63/84/434596384.db2.gz HZEPPHDOELXQBH-DNVCBOLYSA-N 2 2 323.396 3.026 20 30 DGEDLP C[C@H](C#N)Oc1ccc(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000369462068 434596390 /nfs/dbraw/zinc/59/63/90/434596390.db2.gz HZEPPHDOELXQBH-DNVCBOLYSA-N 2 2 323.396 3.026 20 30 DGEDLP C=CC[NH+]1CCC([NH2+][C@H]2C[C@@H](OC(C)(C)C)C23CCC3)CC1 ZINC000638524676 435046255 /nfs/dbraw/zinc/04/62/55/435046255.db2.gz QUOBKSIQKJHNOJ-DLBZAZTESA-N 2 2 306.494 3.353 20 30 DGEDLP C[C@@H]1COCC[N@@H+]1C1CC[NH+](CCC2(C#N)CCCCC2)CC1 ZINC000563362962 435265666 /nfs/dbraw/zinc/26/56/66/435265666.db2.gz GSEYJFQEJNBQKT-QGZVFWFLSA-N 2 2 319.493 3.036 20 30 DGEDLP C[C@@H]1COCC[N@H+]1C1CC[NH+](CCC2(C#N)CCCCC2)CC1 ZINC000563362962 435265671 /nfs/dbraw/zinc/26/56/71/435265671.db2.gz GSEYJFQEJNBQKT-QGZVFWFLSA-N 2 2 319.493 3.036 20 30 DGEDLP C=CCOc1ccc(C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)cc1 ZINC000655858176 435850176 /nfs/dbraw/zinc/85/01/76/435850176.db2.gz YNSDINBYELMSSF-RTBURBONSA-N 2 2 300.446 3.358 20 30 DGEDLP C=CCOc1ccc(C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)cc1 ZINC000655858176 435850179 /nfs/dbraw/zinc/85/01/79/435850179.db2.gz YNSDINBYELMSSF-RTBURBONSA-N 2 2 300.446 3.358 20 30 DGEDLP C[N@@H+]1CCC[C@]2(CC[NH+](CC#Cc3ccc(Cl)cc3)C2)C1 ZINC000292959753 335098329 /nfs/dbraw/zinc/09/83/29/335098329.db2.gz LIHRROVDJAYYFD-SFHVURJKSA-N 2 2 302.849 3.109 20 30 DGEDLP C[N@H+]1CCC[C@]2(CC[NH+](CC#Cc3ccc(Cl)cc3)C2)C1 ZINC000292959753 335098330 /nfs/dbraw/zinc/09/83/30/335098330.db2.gz LIHRROVDJAYYFD-SFHVURJKSA-N 2 2 302.849 3.109 20 30 DGEDLP C[NH+]1CCC[C@]2(CC[N@H+](CC#Cc3ccc(Cl)cc3)C2)C1 ZINC000292959753 335098332 /nfs/dbraw/zinc/09/83/32/335098332.db2.gz LIHRROVDJAYYFD-SFHVURJKSA-N 2 2 302.849 3.109 20 30 DGEDLP C[NH+]1CCC[C@]2(CC[N@@H+](CC#Cc3ccc(Cl)cc3)C2)C1 ZINC000292959753 335098333 /nfs/dbraw/zinc/09/83/33/335098333.db2.gz LIHRROVDJAYYFD-SFHVURJKSA-N 2 2 302.849 3.109 20 30 DGEDLP C[N@@H+](CC#Cc1ccc(C(F)(F)F)cc1)CCC[NH+]1CCCC1 ZINC000499907367 340046881 /nfs/dbraw/zinc/04/68/81/340046881.db2.gz KEHYFXQSOXDGLO-UHFFFAOYSA-N 2 2 324.390 3.475 20 30 DGEDLP C[N@H+](CC#Cc1ccc(C(F)(F)F)cc1)CCC[NH+]1CCCC1 ZINC000499907367 340046882 /nfs/dbraw/zinc/04/68/82/340046882.db2.gz KEHYFXQSOXDGLO-UHFFFAOYSA-N 2 2 324.390 3.475 20 30 DGEDLP N#C[C@@H]1CCC[C@H]([NH2+]CC2([NH+]3CCSCC3)CCCCC2)C1 ZINC000185826008 340505655 /nfs/dbraw/zinc/50/56/55/340505655.db2.gz GUICCCZDOBSHTK-SJORKVTESA-N 2 2 321.534 3.410 20 30 DGEDLP Cc1cc(C[NH2+][C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)ccc1C#N ZINC000443994234 533736614 /nfs/dbraw/zinc/73/66/14/533736614.db2.gz CWAVVZOVXYWWJW-UWJYYQICSA-N 2 2 319.452 3.477 20 30 DGEDLP Cc1cc(C[NH2+][C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)ccc1C#N ZINC000443994234 533736619 /nfs/dbraw/zinc/73/66/19/533736619.db2.gz CWAVVZOVXYWWJW-UWJYYQICSA-N 2 2 319.452 3.477 20 30 DGEDLP Cc1ccoc1C[NH+](C)CC#CC[N@@H+](C)Cc1occc1C ZINC000429356712 534445223 /nfs/dbraw/zinc/44/52/23/534445223.db2.gz WOEZXSYSEDKTFZ-UHFFFAOYSA-N 2 2 300.402 3.057 20 30 DGEDLP Cc1ccoc1C[NH+](C)CC#CC[N@H+](C)Cc1occc1C ZINC000429356712 534445230 /nfs/dbraw/zinc/44/52/30/534445230.db2.gz WOEZXSYSEDKTFZ-UHFFFAOYSA-N 2 2 300.402 3.057 20 30 DGEDLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@H](C)c1ccc(C#N)cc1F)CCC2 ZINC000331708090 534510845 /nfs/dbraw/zinc/51/08/45/534510845.db2.gz AYRCYOPXOPZEKU-UKRRQHHQSA-N 2 2 312.392 3.431 20 30 DGEDLP C=CC[NH+]1CCC([NH2+]Cc2conc2Cc2ccccc2)CC1 ZINC000339241531 526450702 /nfs/dbraw/zinc/45/07/02/526450702.db2.gz FOBCRGTVANWNGE-UHFFFAOYSA-N 2 2 311.429 3.005 20 30 DGEDLP C=CC[NH+]1CCC([NH2+][C@H](C[C@@H]2CCOC2)c2ccccc2)CC1 ZINC000339066137 526454219 /nfs/dbraw/zinc/45/42/19/526454219.db2.gz CIJDGKPYNIMIQO-FXAWDEMLSA-N 2 2 314.473 3.394 20 30 DGEDLP C=CC[NH+]1CCC([NH2+][C@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)CC1 ZINC000340231044 526454553 /nfs/dbraw/zinc/45/45/53/526454553.db2.gz MPAXTFAEMYQOTC-PMACEKPBSA-N 3 2 313.489 3.062 20 30 DGEDLP C=CC[NH+]1CCC([NH2+][C@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)CC1 ZINC000340231044 526454556 /nfs/dbraw/zinc/45/45/56/526454556.db2.gz MPAXTFAEMYQOTC-PMACEKPBSA-N 3 2 313.489 3.062 20 30 DGEDLP C=CCOc1ccc(C[NH2+]Cc2ncc(C[NH+](C)C)s2)cc1 ZINC000352923404 526887294 /nfs/dbraw/zinc/88/72/94/526887294.db2.gz GVDGRWCAZHCEJB-UHFFFAOYSA-N 2 2 317.458 3.059 20 30 DGEDLP C=CC1CC[NH+](C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)CC1 ZINC000341897725 526978128 /nfs/dbraw/zinc/97/81/28/526978128.db2.gz RPXBQJICOJDIDE-HXUWFJFHSA-N 2 2 314.473 3.176 20 30 DGEDLP C=CC1CC[NH+](C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC1 ZINC000341897725 526978134 /nfs/dbraw/zinc/97/81/34/526978134.db2.gz RPXBQJICOJDIDE-HXUWFJFHSA-N 2 2 314.473 3.176 20 30 DGEDLP C[N@H+](CCC(C)(C)C#N)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000452116557 536314165 /nfs/dbraw/zinc/31/41/65/536314165.db2.gz LSZVUWZGVIQCBW-UHFFFAOYSA-N 2 2 305.388 3.275 20 30 DGEDLP C[N@@H+](CCC(C)(C)C#N)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000452116557 536314169 /nfs/dbraw/zinc/31/41/69/536314169.db2.gz LSZVUWZGVIQCBW-UHFFFAOYSA-N 2 2 305.388 3.275 20 30 DGEDLP C#CCOc1ccc(C[NH2+]C[C@H](c2ccc(C)cc2)[NH+](C)C)cc1 ZINC000733326103 574615854 /nfs/dbraw/zinc/61/58/54/574615854.db2.gz JIQJAODMGZLQFP-OAQYLSRUSA-N 2 2 322.452 3.400 20 30 DGEDLP Oc1ccc(/C=[NH+]/C2CCC([NH+]3CCCCC3)CC2)c(O)c1O ZINC000750818037 575753642 /nfs/dbraw/zinc/75/36/42/575753642.db2.gz NAEVFPZFKJPZJZ-XDHOZWIPSA-N 2 2 318.417 3.019 20 30 DGEDLP C=CC[C@]1(C(=O)Nc2cccc(-c3[nH]c(C)c(C)[nH+]3)c2)CCC[NH2+]1 ZINC000852863017 620652912 /nfs/dbraw/zinc/65/29/12/620652912.db2.gz PBUYVHDOQAEAOY-LJQANCHMSA-N 2 2 324.428 3.330 20 30 DGEDLP C=C(C)C[NH+]1CCC([NH2+][C@@H](CC)c2cccc(OC)n2)CC1 ZINC000924989326 618757921 /nfs/dbraw/zinc/75/79/21/618757921.db2.gz UHNCAJYABFYCKZ-INIZCTEOSA-N 2 2 303.450 3.171 20 30 DGEDLP N#CC1CCC([NH2+]c2ccc(N3CC[N@@H+]4CCC[C@H]4C3)cc2)CC1 ZINC000895648080 618809904 /nfs/dbraw/zinc/80/99/04/618809904.db2.gz RLDWRMLQOUEECY-UHYCVJNDSA-N 2 2 324.472 3.465 20 30 DGEDLP N#CC1CCC([NH2+]c2ccc(N3CC[N@H+]4CCC[C@H]4C3)cc2)CC1 ZINC000895648080 618809905 /nfs/dbraw/zinc/80/99/05/618809905.db2.gz RLDWRMLQOUEECY-UHYCVJNDSA-N 2 2 324.472 3.465 20 30 DGEDLP C[C@@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)c1cc(C#N)ccn1 ZINC000902721312 619665838 /nfs/dbraw/zinc/66/58/38/619665838.db2.gz VHFMHTWBJNDYLM-MRXNPFEDSA-N 2 2 320.440 3.268 20 30 DGEDLP C[C@@H]([NH2+]C1CC[NH+](C2CCCCC2)CC1)c1cc(C#N)ccn1 ZINC000902831958 619681886 /nfs/dbraw/zinc/68/18/86/619681886.db2.gz PWJLLJJSGOIGHS-OAHLLOKOSA-N 2 2 312.461 3.401 20 30 DGEDLP C=CCC[C@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)[C@]1(C)CCCCO1 ZINC000902963639 619697990 /nfs/dbraw/zinc/69/79/90/619697990.db2.gz QHZIHPKXFQXUEI-BQFCYCMXSA-N 2 2 303.450 3.082 20 30 DGEDLP N#Cc1cc(Cl)cc(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)c1 ZINC000903444983 619777862 /nfs/dbraw/zinc/77/78/62/619777862.db2.gz HGLGZYJXPGTHIU-DOTOQJQBSA-N 2 2 303.837 3.176 20 30 DGEDLP N#Cc1cc(Cl)cc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)c1 ZINC000903444983 619777864 /nfs/dbraw/zinc/77/78/64/619777864.db2.gz HGLGZYJXPGTHIU-DOTOQJQBSA-N 2 2 303.837 3.176 20 30 DGEDLP N#Cc1cc(Cl)cc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)c1 ZINC000903453958 619779237 /nfs/dbraw/zinc/77/92/37/619779237.db2.gz QDRCUBFDGPJRHP-NVXWUHKLSA-N 2 2 303.837 3.176 20 30 DGEDLP N#Cc1cc(Cl)cc(C[N@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)c1 ZINC000903453958 619779238 /nfs/dbraw/zinc/77/92/38/619779238.db2.gz QDRCUBFDGPJRHP-NVXWUHKLSA-N 2 2 303.837 3.176 20 30 DGEDLP C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1)c1cccc(C#N)c1O ZINC000866234412 622071941 /nfs/dbraw/zinc/07/19/41/622071941.db2.gz SHSQWRJVMRFZTE-CVEARBPZSA-N 2 2 315.461 3.427 20 30 DGEDLP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H](C)C1)c1cccc(C#N)c1O ZINC000866234412 622071944 /nfs/dbraw/zinc/07/19/44/622071944.db2.gz SHSQWRJVMRFZTE-CVEARBPZSA-N 2 2 315.461 3.427 20 30 DGEDLP C[C@H](CC[NH2+][C@H](C)c1cccc(C#N)c1O)[NH+]1CCCCC1 ZINC000866338396 622097459 /nfs/dbraw/zinc/09/74/59/622097459.db2.gz RBXOQAOFWULWOX-HUUCEWRRSA-N 2 2 301.434 3.179 20 30 DGEDLP C[NH+]1CCN(c2ccc(C=[NH+]Nc3ccc(F)cc3)cc2)CC1 ZINC000771551518 622775424 /nfs/dbraw/zinc/77/54/24/622775424.db2.gz CHFKLHZFZLABCB-UHFFFAOYSA-N 2 2 312.392 3.024 20 30 DGEDLP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH2+]Cc1ccc(C#N)cn1 ZINC000780556373 623951758 /nfs/dbraw/zinc/95/17/58/623951758.db2.gz XRGPMXKQYZZEKR-UHFFFAOYSA-N 2 2 322.456 3.201 20 30 DGEDLP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+]Cc1ccc(C#N)cn1 ZINC000780556373 623951761 /nfs/dbraw/zinc/95/17/61/623951761.db2.gz XRGPMXKQYZZEKR-UHFFFAOYSA-N 2 2 322.456 3.201 20 30 DGEDLP CCC1([NH+](C)C)CC[NH+](Cc2ccc(O[C@@H](C)C#N)cc2)CC1 ZINC000877689502 623992547 /nfs/dbraw/zinc/99/25/47/623992547.db2.gz HEQLVDMPJWYUEF-INIZCTEOSA-N 2 2 315.461 3.284 20 30 DGEDLP Cc1[nH+]cn(Cc2cc(C#N)cc(Cn3c[nH+]c(C)c3C)c2)c1C ZINC000878104059 624169968 /nfs/dbraw/zinc/16/99/68/624169968.db2.gz QSONKQCKGUAQJV-UHFFFAOYSA-N 2 2 319.412 3.282 20 30 DGEDLP C=CCC[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)[C@@H]1CCCO1 ZINC000883178795 625956425 /nfs/dbraw/zinc/95/64/25/625956425.db2.gz FIDOXOFJHPWIJC-MOPGFXCFSA-N 2 2 311.429 3.476 20 30 DGEDLP C#CC[N@@H+](Cc1cn(-c2cc[nH+]cc2)nc1C)Cc1ccccc1 ZINC000809717956 626940451 /nfs/dbraw/zinc/94/04/51/626940451.db2.gz OZMYMOBPBQKHMK-UHFFFAOYSA-N 2 2 316.408 3.211 20 30 DGEDLP C#CC[N@H+](Cc1cn(-c2cc[nH+]cc2)nc1C)Cc1ccccc1 ZINC000809717956 626940453 /nfs/dbraw/zinc/94/04/53/626940453.db2.gz OZMYMOBPBQKHMK-UHFFFAOYSA-N 2 2 316.408 3.211 20 30 DGEDLP CC[C@H]([NH2+]C1CC[NH+](CC2CC2)CC1)c1cccc(C#N)c1O ZINC000924710710 627671640 /nfs/dbraw/zinc/67/16/40/627671640.db2.gz BIZJXXVSTPEYNZ-SFHVURJKSA-N 2 2 313.445 3.179 20 30 DGEDLP C[C@@H](CC(C)(C)C#N)[NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000924774873 627678682 /nfs/dbraw/zinc/67/86/82/627678682.db2.gz FGCXHRWAKSNZNX-ZDUSSCGKSA-N 2 2 300.381 3.429 20 30 DGEDLP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)c1ccccc1OC(F)(F)F ZINC000815651989 627694579 /nfs/dbraw/zinc/69/45/79/627694579.db2.gz LAPQBGURBLOSQB-ZDUSSCGKSA-N 2 2 314.351 3.191 20 30 DGEDLP C#CC[N@H+](C)CCC[NH2+][C@@H](C)c1ccccc1OC(F)(F)F ZINC000815651989 627694581 /nfs/dbraw/zinc/69/45/81/627694581.db2.gz LAPQBGURBLOSQB-ZDUSSCGKSA-N 2 2 314.351 3.191 20 30 DGEDLP CC[C@H]([NH2+]CCCC[N@H+](C)C1CC1)c1cccc(C#N)c1O ZINC000926558393 627914378 /nfs/dbraw/zinc/91/43/78/627914378.db2.gz HOHWGSVSWXIVNF-KRWDZBQOSA-N 2 2 301.434 3.179 20 30 DGEDLP CC[C@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1cccc(C#N)c1O ZINC000926558393 627914381 /nfs/dbraw/zinc/91/43/81/627914381.db2.gz HOHWGSVSWXIVNF-KRWDZBQOSA-N 2 2 301.434 3.179 20 30 DGEDLP CC[C@H]([NH2+]C[C@H]([NH3+])c1ccc(N(C)C)cc1)c1ccc(C#N)cc1 ZINC000817944185 627969303 /nfs/dbraw/zinc/96/93/03/627969303.db2.gz YAFFZHJCNLAGRT-PMACEKPBSA-N 2 2 322.456 3.365 20 30 DGEDLP C#CC[N@@H+](C)CCC[NH2+][C@H](C)c1ccc(Oc2ccccc2)cn1 ZINC000834811796 629783253 /nfs/dbraw/zinc/78/32/53/629783253.db2.gz XBMMHXCXZQSKRI-QGZVFWFLSA-N 2 2 323.440 3.480 20 30 DGEDLP C#CC[N@H+](C)CCC[NH2+][C@H](C)c1ccc(Oc2ccccc2)cn1 ZINC000834811796 629783255 /nfs/dbraw/zinc/78/32/55/629783255.db2.gz XBMMHXCXZQSKRI-QGZVFWFLSA-N 2 2 323.440 3.480 20 30 DGEDLP C#CC[N@H+](C)CCC[NH2+][C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000328016919 656033174 /nfs/dbraw/zinc/03/31/74/656033174.db2.gz RLFDFNOQKXXGJZ-FQEVSTJZSA-N 2 2 310.416 3.460 20 30 DGEDLP C#CC[N@@H+](C)CCC[NH2+][C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000328016919 656033175 /nfs/dbraw/zinc/03/31/75/656033175.db2.gz RLFDFNOQKXXGJZ-FQEVSTJZSA-N 2 2 310.416 3.460 20 30 DGEDLP C#CC[N@@H+](C)CCC[NH2+][C@H](C)c1ccccc1Br ZINC000385617128 685174664 /nfs/dbraw/zinc/17/46/64/685174664.db2.gz PESVHZAOBWMDSH-CYBMUJFWSA-N 2 2 309.251 3.055 20 30 DGEDLP C#CC[N@H+](C)CCC[NH2+][C@H](C)c1ccccc1Br ZINC000385617128 685174668 /nfs/dbraw/zinc/17/46/68/685174668.db2.gz PESVHZAOBWMDSH-CYBMUJFWSA-N 2 2 309.251 3.055 20 30 DGEDLP C=CCC[C@H](C)[NH2+][C@H]1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001480114267 1180285601 /nfs/dbraw/zinc/28/56/01/1180285601.db2.gz VTAKRADMNYZAAM-YOEHRIQHSA-N 2 2 315.461 3.166 20 30 DGEDLP C=CCCC[NH2+][C@@H](CNC(=O)c1c(C)cc(C)[nH+]c1C)C1CC1 ZINC001480033780 1184414676 /nfs/dbraw/zinc/41/46/76/1184414676.db2.gz GQMORFMOLKDAHP-KRWDZBQOSA-N 2 2 315.461 3.071 20 30 DGEDLP C=CCCC[NH2+]C[C@H]1CCCN1C(=O)c1c(C)cc(C)[nH+]c1C ZINC001499913094 1185715896 /nfs/dbraw/zinc/71/58/96/1185715896.db2.gz VAWYXWJSGKVCMK-QGZVFWFLSA-N 2 2 315.461 3.167 20 30 DGEDLP C=CCC[C@@H](O)C[N@H+]1CCC[C@@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001620680663 1193790311 /nfs/dbraw/zinc/79/03/11/1193790311.db2.gz MDTATCIWTJXAMS-HZPDHXFCSA-N 2 2 305.466 3.145 20 30 DGEDLP C=CCC[C@@H](O)C[N@@H+]1CCC[C@@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001620680663 1193790313 /nfs/dbraw/zinc/79/03/13/1193790313.db2.gz MDTATCIWTJXAMS-HZPDHXFCSA-N 2 2 305.466 3.145 20 30 DGEDLP C#CC[N@@H+](C)C[C@H](C[NH+](C)Cc1ccccc1)c1ccccc1 ZINC001645493256 1195189270 /nfs/dbraw/zinc/18/92/70/1195189270.db2.gz KLRNLGRKUSAMSV-OAQYLSRUSA-N 2 2 306.453 3.467 20 30 DGEDLP C#CC[N@H+](C)C[C@H](C[NH+](C)Cc1ccccc1)c1ccccc1 ZINC001645493256 1195189273 /nfs/dbraw/zinc/18/92/73/1195189273.db2.gz KLRNLGRKUSAMSV-OAQYLSRUSA-N 2 2 306.453 3.467 20 30 DGEDLP C#CC[NH+](C)C[C@H](C[N@H+](C)Cc1ccccc1)c1ccccc1 ZINC001645493256 1195189276 /nfs/dbraw/zinc/18/92/76/1195189276.db2.gz KLRNLGRKUSAMSV-OAQYLSRUSA-N 2 2 306.453 3.467 20 30 DGEDLP C#CC[NH+](C)C[C@H](C[N@@H+](C)Cc1ccccc1)c1ccccc1 ZINC001645493256 1195189280 /nfs/dbraw/zinc/18/92/80/1195189280.db2.gz KLRNLGRKUSAMSV-OAQYLSRUSA-N 2 2 306.453 3.467 20 30 DGEDLP Cc1ccc(NC(=[NH2+])NCc2ccccc2-n2cc[nH+]c2)cc1 ZINC000303889962 1199601174 /nfs/dbraw/zinc/60/11/74/1199601174.db2.gz PTASVVPUNOKUOR-UHFFFAOYSA-N 2 2 305.385 3.108 20 30 DGEDLP C=C(C)C[NH2+]C[C@H](C1CC1)N(C)C(=O)c1c(C)cc(C)[nH+]c1C ZINC001755564881 1200955374 /nfs/dbraw/zinc/95/53/74/1200955374.db2.gz YTTIQXVPZMGEIW-QGZVFWFLSA-N 2 2 315.461 3.023 20 30 DGEDLP C=CCC[C@H](C)[NH2+][C@H](C)CCNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001753010078 1202057808 /nfs/dbraw/zinc/05/78/08/1202057808.db2.gz ZRGQDYFIPQDVGG-LSDHHAIUSA-N 2 2 317.477 3.460 20 30 DGEDLP C=CCC[C@@H](C)[NH2+]C/C=C/CNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001716323885 1203459227 /nfs/dbraw/zinc/45/92/27/1203459227.db2.gz VTXSUWBKOXJDSK-XVJNWHFHSA-N 2 2 315.461 3.237 20 30 DGEDLP C=CCC[C@@H](C)[NH2+]C/C=C\CNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001716323884 1203459434 /nfs/dbraw/zinc/45/94/34/1203459434.db2.gz VTXSUWBKOXJDSK-WHLNPGIBSA-N 2 2 315.461 3.237 20 30 DGEDLP Cc1[nH+]c(N2CCCC[C@H]2CC[NH+]2CCCC2)ccc1CC#N ZINC001165048053 721976034 /nfs/dbraw/zinc/97/60/34/721976034.db2.gz IOJISSXIHKXYKG-SFHVURJKSA-N 2 2 312.461 3.301 20 30 DGEDLP CCCCCCC[NH2+][C@H](C)C[C@H](C)NC(=O)CCc1[nH]cc[nH+]1 ZINC001134227389 1083258342 /nfs/dbraw/zinc/25/83/42/1083258342.db2.gz GKJCVYHONQMVKH-CVEARBPZSA-N 2 2 322.497 3.186 20 30 DGEDLP C=CCC[N@H+]1CC[C@@H](CCNC(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001481441490 1083920001 /nfs/dbraw/zinc/92/00/01/1083920001.db2.gz IWQVRNIEMYHKEL-QGZVFWFLSA-N 2 2 315.461 3.025 20 30 DGEDLP C=CCC[N@@H+]1CC[C@@H](CCNC(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001481441490 1083920006 /nfs/dbraw/zinc/92/00/06/1083920006.db2.gz IWQVRNIEMYHKEL-QGZVFWFLSA-N 2 2 315.461 3.025 20 30 DGEDLP C[C@@]1([NH3+])CCC[N@H+](Cc2ccc(C#N)c(Br)c2)CC1 ZINC001205289105 1084094089 /nfs/dbraw/zinc/09/40/89/1084094089.db2.gz SPMRUMHMLNVVII-OAHLLOKOSA-N 2 2 322.250 3.024 20 30 DGEDLP C[C@@]1([NH3+])CCC[N@@H+](Cc2ccc(C#N)c(Br)c2)CC1 ZINC001205289105 1084094092 /nfs/dbraw/zinc/09/40/92/1084094092.db2.gz SPMRUMHMLNVVII-OAHLLOKOSA-N 2 2 322.250 3.024 20 30 DGEDLP C=CC[NH2+][C@@H](C)[C@H]1CCCN(C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001268174179 1084285043 /nfs/dbraw/zinc/28/50/43/1084285043.db2.gz PXEOOIGVAJHRPQ-RDJZCZTQSA-N 2 2 315.461 3.023 20 30 DGEDLP N#Cc1ccc2cc[nH+]c(N[C@H]3CC[NH2+]C[C@@H]3C(F)(F)F)c2c1 ZINC001160739753 1088940543 /nfs/dbraw/zinc/94/05/43/1088940543.db2.gz YGWKVXTWOGJPHO-KBPBESRZSA-N 2 2 320.318 3.059 20 30 DGEDLP CN(c1ccc(C#N)cc1)c1ccc(C[N@@H+]2CC[C@@](C)([NH3+])C2)cc1 ZINC001204769994 1091033802 /nfs/dbraw/zinc/03/38/02/1091033802.db2.gz ABEASMUGJUWGBG-HXUWFJFHSA-N 2 2 320.440 3.249 20 30 DGEDLP CN(c1ccc(C#N)cc1)c1ccc(C[N@H+]2CC[C@@](C)([NH3+])C2)cc1 ZINC001204769994 1091033807 /nfs/dbraw/zinc/03/38/07/1091033807.db2.gz ABEASMUGJUWGBG-HXUWFJFHSA-N 2 2 320.440 3.249 20 30 DGEDLP CC1([NH+]2CCCC2)CC[NH+](Cc2c[nH]c3c2cccc3C#N)CC1 ZINC001139706598 1091647748 /nfs/dbraw/zinc/64/77/48/1091647748.db2.gz AIGXVMCEMVAAKO-UHFFFAOYSA-N 2 2 322.456 3.490 20 30 DGEDLP C#Cc1cc(Nc2cccc(C[NH+]3CCCCC3)c2F)cc[nH+]1 ZINC001215675630 1094030084 /nfs/dbraw/zinc/03/00/84/1094030084.db2.gz DPILPYOXOHVNRX-UHFFFAOYSA-N 2 2 309.388 3.353 20 30 DGEDLP C=C(C)C[NH2+][C@H](C)C[C@@H](C)NC(=O)c1c(C)cc(C)[nH+]c1C ZINC001135042682 1094373225 /nfs/dbraw/zinc/37/32/25/1094373225.db2.gz CDDGAWYFNLRUNC-UKRRQHHQSA-N 2 2 303.450 3.069 20 30 DGEDLP N#CC1(C[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC001172074445 1097037806 /nfs/dbraw/zinc/03/78/06/1097037806.db2.gz VKCNCOYFXNCNGG-REPLKXPHSA-N 2 2 309.457 3.465 20 30 DGEDLP N#CC1(C[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001172074445 1097037811 /nfs/dbraw/zinc/03/78/11/1097037811.db2.gz VKCNCOYFXNCNGG-REPLKXPHSA-N 2 2 309.457 3.465 20 30 DGEDLP COc1ccccc1C[NH+]1CCC([NH2+][C@H](C)CCCC#N)CC1 ZINC001172478691 1097149763 /nfs/dbraw/zinc/14/97/63/1097149763.db2.gz HDVDXFBBMLKAHP-MRXNPFEDSA-N 2 2 315.461 3.332 20 30 DGEDLP CC(C)[N@H+](C)Cc1cnc2n1CC[NH+]([C@@H](C)CCCC#N)[C@@H]2C ZINC001172495695 1097170283 /nfs/dbraw/zinc/17/02/83/1097170283.db2.gz TTYXMAYEFMCVEH-JKSUJKDBSA-N 2 2 317.481 3.182 20 30 DGEDLP CC(C)[N@@H+](C)Cc1cnc2n1CC[NH+]([C@@H](C)CCCC#N)[C@@H]2C ZINC001172495695 1097170285 /nfs/dbraw/zinc/17/02/85/1097170285.db2.gz TTYXMAYEFMCVEH-JKSUJKDBSA-N 2 2 317.481 3.182 20 30 DGEDLP CC(C)[NH+](C)Cc1cnc2n1CC[N@H+]([C@@H](C)CCCC#N)[C@@H]2C ZINC001172495695 1097170287 /nfs/dbraw/zinc/17/02/87/1097170287.db2.gz TTYXMAYEFMCVEH-JKSUJKDBSA-N 2 2 317.481 3.182 20 30 DGEDLP CC(C)[NH+](C)Cc1cnc2n1CC[N@@H+]([C@@H](C)CCCC#N)[C@@H]2C ZINC001172495695 1097170291 /nfs/dbraw/zinc/17/02/91/1097170291.db2.gz TTYXMAYEFMCVEH-JKSUJKDBSA-N 2 2 317.481 3.182 20 30 DGEDLP CCSC[C@@H](C)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC001173290678 1097416138 /nfs/dbraw/zinc/41/61/38/1097416138.db2.gz FKUVYHUUAFQUNW-OAHLLOKOSA-N 2 2 317.502 3.254 20 30 DGEDLP C[N@@H+]1CCc2c(C#N)c(Nc3cc[nH+]c4ccccc34)sc2C1 ZINC001174037056 1097595874 /nfs/dbraw/zinc/59/58/74/1097595874.db2.gz KDOKLAQBZDAQOD-UHFFFAOYSA-N 2 2 320.421 3.321 20 30 DGEDLP C[N@H+]1CCc2c(C#N)c(Nc3cc[nH+]c4ccccc34)sc2C1 ZINC001174037056 1097595879 /nfs/dbraw/zinc/59/58/79/1097595879.db2.gz KDOKLAQBZDAQOD-UHFFFAOYSA-N 2 2 320.421 3.321 20 30 DGEDLP C=CCCC[NH2+]CCCC[C@@H](C)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001175503666 1098073561 /nfs/dbraw/zinc/07/35/61/1098073561.db2.gz SHRFSQSRKYRESU-SJORKVTESA-N 2 2 320.481 3.065 20 30 DGEDLP CCCCCCC[NH2+]CCCC[C@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001175880927 1098186139 /nfs/dbraw/zinc/18/61/39/1098186139.db2.gz IAAVQSYFYXHPAE-INIZCTEOSA-N 2 2 322.497 3.187 20 30 DGEDLP COc1cc(C[NH+]2CCC(CC#N)CC2)ccc1-n1cc[nH+]c1 ZINC001234065547 1098488835 /nfs/dbraw/zinc/48/88/35/1098488835.db2.gz BUUJFCMFKNZKFU-UHFFFAOYSA-N 2 2 310.401 3.007 20 30 DGEDLP C#Cc1ccc(C[N@@H+]2CCC[C@]23C[NH2+]C[C@@H]3c2ccccc2)cc1 ZINC001235250292 1098922920 /nfs/dbraw/zinc/92/29/20/1098922920.db2.gz AJDQODKEKBHJBO-FGZHOGPDSA-N 2 2 316.448 3.390 20 30 DGEDLP C#Cc1ccc(C[N@H+]2CCC[C@]23C[NH2+]C[C@@H]3c2ccccc2)cc1 ZINC001235250292 1098922928 /nfs/dbraw/zinc/92/29/28/1098922928.db2.gz AJDQODKEKBHJBO-FGZHOGPDSA-N 2 2 316.448 3.390 20 30 DGEDLP C(#Cc1ccccc1)c1ccc(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)s1 ZINC001235267725 1098938102 /nfs/dbraw/zinc/93/81/02/1098938102.db2.gz IGSWFZHRAKLTQZ-XLIONFOSSA-N 2 2 322.477 3.332 20 30 DGEDLP C(#Cc1ccccc1)c1ccc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)s1 ZINC001235267725 1098938108 /nfs/dbraw/zinc/93/81/08/1098938108.db2.gz IGSWFZHRAKLTQZ-XLIONFOSSA-N 2 2 322.477 3.332 20 30 DGEDLP N#Cc1ccc(C[N@H+](C[C@@H]2CCC[NH2+]C2)C2CCCC2)c(O)c1 ZINC001236374601 1099560685 /nfs/dbraw/zinc/56/06/85/1099560685.db2.gz DXBDPBFJOMHTIO-MRXNPFEDSA-N 2 2 313.445 3.008 20 30 DGEDLP N#Cc1ccc(C[N@@H+](C[C@@H]2CCC[NH2+]C2)C2CCCC2)c(O)c1 ZINC001236374601 1099560693 /nfs/dbraw/zinc/56/06/93/1099560693.db2.gz DXBDPBFJOMHTIO-MRXNPFEDSA-N 2 2 313.445 3.008 20 30 DGEDLP CC(C)(C)C[N@H+](Cc1cc(F)ccc1C#N)C1CC[NH2+]CC1 ZINC001236457202 1099620066 /nfs/dbraw/zinc/62/00/66/1099620066.db2.gz KRWQZMDKTKULCK-UHFFFAOYSA-N 2 2 303.425 3.297 20 30 DGEDLP CC(C)(C)C[N@@H+](Cc1cc(F)ccc1C#N)C1CC[NH2+]CC1 ZINC001236457202 1099620069 /nfs/dbraw/zinc/62/00/69/1099620069.db2.gz KRWQZMDKTKULCK-UHFFFAOYSA-N 2 2 303.425 3.297 20 30 DGEDLP C=CCOc1cccc(C[N@H+](C2CCC2)[C@@H]2CCC[NH2+]C2)c1 ZINC001237158475 1100006634 /nfs/dbraw/zinc/00/66/34/1100006634.db2.gz YSFPXZGLWNWMKA-GOSISDBHSA-N 2 2 300.446 3.358 20 30 DGEDLP C=CCOc1cccc(C[N@@H+](C2CCC2)[C@@H]2CCC[NH2+]C2)c1 ZINC001237158475 1100006643 /nfs/dbraw/zinc/00/66/43/1100006643.db2.gz YSFPXZGLWNWMKA-GOSISDBHSA-N 2 2 300.446 3.358 20 30 DGEDLP C=C(C)CC[N@@H+](C)[C@H]1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001191450268 1100460881 /nfs/dbraw/zinc/46/08/81/1100460881.db2.gz NFAXBZFOEPSBPD-KRWDZBQOSA-N 2 2 315.461 3.119 20 30 DGEDLP C=C(C)CC[N@H+](C)[C@H]1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001191450268 1100460884 /nfs/dbraw/zinc/46/08/84/1100460884.db2.gz NFAXBZFOEPSBPD-KRWDZBQOSA-N 2 2 315.461 3.119 20 30 DGEDLP N#Cc1c(F)cc(-c2ccc(C[N@H+]3CC[C@@H]([NH3+])C3)cc2)cc1F ZINC001239931622 1100802688 /nfs/dbraw/zinc/80/26/88/1100802688.db2.gz XINYIJGIYMKCLA-OAHLLOKOSA-N 2 2 313.351 3.036 20 30 DGEDLP N#Cc1c(F)cc(-c2ccc(C[N@@H+]3CC[C@@H]([NH3+])C3)cc2)cc1F ZINC001239931622 1100802692 /nfs/dbraw/zinc/80/26/92/1100802692.db2.gz XINYIJGIYMKCLA-OAHLLOKOSA-N 2 2 313.351 3.036 20 30 DGEDLP N#Cc1ccc(CC[NH2+][C@H](Cn2cc[nH+]c2)c2ccccc2)cc1 ZINC001197264008 1101512880 /nfs/dbraw/zinc/51/28/80/1101512880.db2.gz JCTQCSRWLRJVFT-HXUWFJFHSA-N 2 2 316.408 3.328 20 30 DGEDLP Cc1[nH]c(C2CC[NH+](Cc3ccc(C#N)c(F)c3)CC2)[nH+]c1C ZINC001197845311 1101675247 /nfs/dbraw/zinc/67/52/47/1101675247.db2.gz WUUXYGAPYIYEAY-UHFFFAOYSA-N 2 2 312.392 3.417 20 30 DGEDLP CC(C)(C)n1c[nH+]cc1[C@H]1CCC[N@H+](Cc2cncc(C#N)c2)C1 ZINC001198790475 1101977073 /nfs/dbraw/zinc/97/70/73/1101977073.db2.gz INFBYRJAGKVIAZ-KRWDZBQOSA-N 2 2 323.444 3.284 20 30 DGEDLP CC(C)(C)n1c[nH+]cc1[C@H]1CCC[N@@H+](Cc2cncc(C#N)c2)C1 ZINC001198790475 1101977085 /nfs/dbraw/zinc/97/70/85/1101977085.db2.gz INFBYRJAGKVIAZ-KRWDZBQOSA-N 2 2 323.444 3.284 20 30 DGEDLP C#Cc1cc(NC2=C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc[nH+]1 ZINC001201470887 1102623554 /nfs/dbraw/zinc/62/35/54/1102623554.db2.gz YJFWHXROCGGGOB-RTWAWAEBSA-N 2 2 315.420 3.218 20 30 DGEDLP C#Cc1cc(NC2=C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cc[nH+]1 ZINC001201470887 1102623557 /nfs/dbraw/zinc/62/35/57/1102623557.db2.gz YJFWHXROCGGGOB-RTWAWAEBSA-N 2 2 315.420 3.218 20 30 DGEDLP CCCCCCCC[C@@H](O)C[NH2+][C@@H](C[NH3+])c1cccc(OC)c1 ZINC001246017839 1104352242 /nfs/dbraw/zinc/35/22/42/1104352242.db2.gz CWGBWXAYVQXPKB-MJGOQNOKSA-N 2 2 322.493 3.396 20 30 DGEDLP C=C(C)CC[N@@H+](C)[C@H](C)CNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001275887085 1104945211 /nfs/dbraw/zinc/94/52/11/1104945211.db2.gz KKCPNVVOCAVJSX-OAHLLOKOSA-N 2 2 303.450 3.023 20 30 DGEDLP C=C(C)CC[N@H+](C)[C@H](C)CNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001275887085 1104945216 /nfs/dbraw/zinc/94/52/16/1104945216.db2.gz KKCPNVVOCAVJSX-OAHLLOKOSA-N 2 2 303.450 3.023 20 30 DGEDLP N#C[C@@H]1CC[C@@H]([NH+]2CCC([NH3+])(c3ccccc3Cl)CC2)C1 ZINC001254646995 1106121624 /nfs/dbraw/zinc/12/16/24/1106121624.db2.gz DRNJYPRHWVBDSJ-ZIAGYGMSSA-N 2 2 303.837 3.282 20 30 DGEDLP Cc1cc(F)ccc1C[NH+]1CCC([NH2+][C@H]2CC[C@@H](C#N)C2)CC1 ZINC001254650659 1106122541 /nfs/dbraw/zinc/12/25/41/1106122541.db2.gz XBFNURONDXAGBC-BEFAXECRSA-N 2 2 315.436 3.380 20 30 DGEDLP C[NH+](C)C[C@H]([NH2+][C@H]1CC[C@@H](C#N)C1)C12CC3CC(CC(C3)C1)C2 ZINC001254656106 1106124084 /nfs/dbraw/zinc/12/40/84/1106124084.db2.gz HSXLLXYALUCADT-HDFHTSGDSA-N 2 2 315.505 3.415 20 30 DGEDLP N#Cc1ccc(C[NH2+][C@H]2CCC[N@H+](Cc3ccccc3)CC2)o1 ZINC001255390944 1106239291 /nfs/dbraw/zinc/23/92/91/1106239291.db2.gz LQTDZDNEFBONRC-KRWDZBQOSA-N 2 2 309.413 3.296 20 30 DGEDLP N#Cc1ccc(C[NH2+][C@H]2CCC[N@@H+](Cc3ccccc3)CC2)o1 ZINC001255390944 1106239295 /nfs/dbraw/zinc/23/92/95/1106239295.db2.gz LQTDZDNEFBONRC-KRWDZBQOSA-N 2 2 309.413 3.296 20 30 DGEDLP C=CCC[C@@H](C)[NH2+]CCSCc1csc(C[NH+](C)C)n1 ZINC001258718090 1106927488 /nfs/dbraw/zinc/92/74/88/1106927488.db2.gz FXLCXSVEZIMISO-CYBMUJFWSA-N 2 2 313.536 3.382 20 30 DGEDLP N#CCOc1cccc(C[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)c1 ZINC001320209765 1106931359 /nfs/dbraw/zinc/93/13/59/1106931359.db2.gz XQMVEZKMNCICIV-UHFFFAOYSA-N 2 2 324.409 3.126 20 30 DGEDLP C=CCC[C@@H](C)[N@H+]1CCc2c(C[NH+](C)C)nn(C(C)C)c2C1 ZINC001258728549 1106934778 /nfs/dbraw/zinc/93/47/78/1106934778.db2.gz OPWNKTOBUPFQDC-OAHLLOKOSA-N 2 2 304.482 3.238 20 30 DGEDLP C=CCC[C@@H](C)[N@@H+]1CCc2c(C[NH+](C)C)nn(C(C)C)c2C1 ZINC001258728549 1106934795 /nfs/dbraw/zinc/93/47/95/1106934795.db2.gz OPWNKTOBUPFQDC-OAHLLOKOSA-N 2 2 304.482 3.238 20 30 DGEDLP CC[NH+](CC)CCC[C@H](C)[N@H+](CCC#N)Cc1cccnc1 ZINC001258908144 1107055734 /nfs/dbraw/zinc/05/57/34/1107055734.db2.gz RQWVDPSEAHSVMQ-KRWDZBQOSA-N 2 2 302.466 3.308 20 30 DGEDLP CC[NH+](CC)CCC[C@H](C)[N@@H+](CCC#N)Cc1cccnc1 ZINC001258908144 1107055748 /nfs/dbraw/zinc/05/57/48/1107055748.db2.gz RQWVDPSEAHSVMQ-KRWDZBQOSA-N 2 2 302.466 3.308 20 30 DGEDLP C=C(Br)C[NH+]1CCC(Oc2cc[nH+]cc2C)CC1 ZINC000278716500 214349458 /nfs/dbraw/zinc/34/94/58/214349458.db2.gz UTDMUOAAINGDCS-UHFFFAOYSA-N 2 2 311.223 3.142 20 30 DGEDLP CSC(C)(C)C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000181842664 199361091 /nfs/dbraw/zinc/36/10/91/199361091.db2.gz MQBXDQODMCKWDF-UHFFFAOYSA-N 2 2 317.502 3.254 20 30 DGEDLP C=CC[NH+]1CCC([NH2+][C@@H](CC)c2ccc3c(c2)CCO3)CC1 ZINC000177907314 186202343 /nfs/dbraw/zinc/20/23/43/186202343.db2.gz LUPXVXLFHBNODV-SFHVURJKSA-N 2 2 300.446 3.313 20 30 DGEDLP C=CC[NH+]1CCC([NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)CC1 ZINC000177908997 186202671 /nfs/dbraw/zinc/20/26/71/186202671.db2.gz LOZZHJNZIGPNMC-MRXNPFEDSA-N 3 2 324.472 3.482 20 30 DGEDLP C=CC[NH+]1CCC([NH2+][C@@H](CC)c2ccc3c(c2)OCCO3)CC1 ZINC000177907415 186202966 /nfs/dbraw/zinc/20/29/66/186202966.db2.gz IJIDULIKQYHCKT-KRWDZBQOSA-N 2 2 316.445 3.149 20 30 DGEDLP C=CC[NH+]1CCC([NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000177910382 186203009 /nfs/dbraw/zinc/20/30/09/186203009.db2.gz KYQRBXWPCXHBCN-MRXNPFEDSA-N 3 2 310.445 3.173 20 30 DGEDLP C=CC[NH+]1CCC([NH2+][C@H](C)c2ccc(-n3ccnc3)cc2)CC1 ZINC000177910382 186203011 /nfs/dbraw/zinc/20/30/11/186203011.db2.gz KYQRBXWPCXHBCN-MRXNPFEDSA-N 2 2 310.445 3.173 20 30 DGEDLP N#Cc1csc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c1 ZINC000092066953 193151929 /nfs/dbraw/zinc/15/19/29/193151929.db2.gz ZDHNVVUTPMWOBQ-RHSMWYFYSA-N 2 2 301.459 3.068 20 30 DGEDLP N#Cc1csc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c1 ZINC000092066953 193151930 /nfs/dbraw/zinc/15/19/30/193151930.db2.gz ZDHNVVUTPMWOBQ-RHSMWYFYSA-N 2 2 301.459 3.068 20 30 DGEDLP N#Cc1csc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000092066953 193151932 /nfs/dbraw/zinc/15/19/32/193151932.db2.gz ZDHNVVUTPMWOBQ-RHSMWYFYSA-N 2 2 301.459 3.068 20 30 DGEDLP N#Cc1csc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000092066953 193151934 /nfs/dbraw/zinc/15/19/34/193151934.db2.gz ZDHNVVUTPMWOBQ-RHSMWYFYSA-N 2 2 301.459 3.068 20 30 DGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]CCC(F)(F)F)CC2)cc1 ZINC000344103167 254225684 /nfs/dbraw/zinc/22/56/84/254225684.db2.gz OEEMRYLZQBQMQI-UHFFFAOYSA-N 2 2 311.351 3.065 20 30 DGEDLP C[NH+](CCC[N@@H+](C)Cc1ccco1)Cc1ccc(C#N)s1 ZINC000289934523 221326152 /nfs/dbraw/zinc/32/61/52/221326152.db2.gz WSGAKDWWAAQAQM-UHFFFAOYSA-N 2 2 303.431 3.167 20 30 DGEDLP C[NH+](CCC[N@H+](C)Cc1ccco1)Cc1ccc(C#N)s1 ZINC000289934523 221326157 /nfs/dbraw/zinc/32/61/57/221326157.db2.gz WSGAKDWWAAQAQM-UHFFFAOYSA-N 2 2 303.431 3.167 20 30 DGEDLP C[NH+](CCC[N@H+](C)Cc1ccc(C#N)s1)Cc1ccco1 ZINC000289934523 221326160 /nfs/dbraw/zinc/32/61/60/221326160.db2.gz WSGAKDWWAAQAQM-UHFFFAOYSA-N 2 2 303.431 3.167 20 30 DGEDLP C[NH+](CCC[N@@H+](C)Cc1ccc(C#N)s1)Cc1ccco1 ZINC000289934523 221326164 /nfs/dbraw/zinc/32/61/64/221326164.db2.gz WSGAKDWWAAQAQM-UHFFFAOYSA-N 2 2 303.431 3.167 20 30 DGEDLP C[C@@H](C#N)Oc1ccc(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000092072164 400152406 /nfs/dbraw/zinc/15/24/06/400152406.db2.gz QRGVKPKXUNOZAO-HOCLYGCPSA-N 2 2 310.401 3.080 20 30 DGEDLP C[C@@H](C#N)Oc1ccc(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000092072164 400152411 /nfs/dbraw/zinc/15/24/11/400152411.db2.gz QRGVKPKXUNOZAO-HOCLYGCPSA-N 2 2 310.401 3.080 20 30 DGEDLP C[C@@H]([NH3+])[C@H]1CCC[N@H+](Cc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000595893662 400288819 /nfs/dbraw/zinc/28/88/19/400288819.db2.gz YAZMEGXIXIEMQI-YPMHNXCESA-N 2 2 311.351 3.136 20 30 DGEDLP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](Cc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000595893662 400288828 /nfs/dbraw/zinc/28/88/28/400288828.db2.gz YAZMEGXIXIEMQI-YPMHNXCESA-N 2 2 311.351 3.136 20 30 DGEDLP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH2+]Cc1ccc(C#N)cc1C(F)(F)F ZINC000595894590 400289433 /nfs/dbraw/zinc/28/94/33/400289433.db2.gz XBPNIMYFGWDRER-UEKVPHQBSA-N 2 2 311.351 3.053 20 30 DGEDLP C=CCOc1ccccc1C[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000093865953 400258634 /nfs/dbraw/zinc/25/86/34/400258634.db2.gz UPZBGHLYUFQPFE-GOSISDBHSA-N 2 2 310.397 3.300 20 30 DGEDLP C=CCOc1ccccc1C[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000093865953 400258636 /nfs/dbraw/zinc/25/86/36/400258636.db2.gz UPZBGHLYUFQPFE-GOSISDBHSA-N 2 2 310.397 3.300 20 30 DGEDLP CC(C)(CC[NH+]1CCCCCC1)[NH2+]Cc1cccc(C#N)n1 ZINC000602620860 400514326 /nfs/dbraw/zinc/51/43/26/400514326.db2.gz MTCGNYLBPYITRC-UHFFFAOYSA-N 2 2 300.450 3.088 20 30 DGEDLP CC[C@H](C[NH2+]Cc1cccc(C#N)c1)[N@@H+]1CCc2ccccc2C1 ZINC000046836625 400582503 /nfs/dbraw/zinc/58/25/03/400582503.db2.gz HYFYPULBUBMDPG-OAQYLSRUSA-N 2 2 319.452 3.485 20 30 DGEDLP CC[C@H](C[NH2+]Cc1cccc(C#N)c1)[N@H+]1CCc2ccccc2C1 ZINC000046836625 400582505 /nfs/dbraw/zinc/58/25/05/400582505.db2.gz HYFYPULBUBMDPG-OAQYLSRUSA-N 2 2 319.452 3.485 20 30 DGEDLP C[C@@H]([NH2+]C(C)(C)C[NH2+]C[C@@H](O)CC(C)(C)C#N)c1ccccc1 ZINC000598719427 400864990 /nfs/dbraw/zinc/86/49/90/400864990.db2.gz IAXYMKRTCJBBQP-WBVHZDCISA-N 2 2 317.477 3.006 20 30 DGEDLP N#Cc1cccc(C[NH+]2CCC([NH2+][C@@H]3CCCSC3)CC2)c1 ZINC000593693371 400893107 /nfs/dbraw/zinc/89/31/07/400893107.db2.gz WMOXLRUDJZMHPD-GOSISDBHSA-N 2 2 315.486 3.008 20 30 DGEDLP N#Cc1cccc(C[NH+]2CCC([NH2+][C@H]3CCC[C@H]4C[C@H]43)CC2)c1 ZINC000593696236 400893251 /nfs/dbraw/zinc/89/32/51/400893251.db2.gz YUOUGFJVIOOEGC-SXLOBPIMSA-N 2 2 309.457 3.301 20 30 DGEDLP N#Cc1cccc(C[NH+]2CCC([NH2+]C(C3CC3)C3CC3)CC2)c1 ZINC000593719299 400899414 /nfs/dbraw/zinc/89/94/14/400899414.db2.gz BGHNOCBMNSXZRM-UHFFFAOYSA-N 2 2 309.457 3.301 20 30 DGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]CCCc3ccco3)CC2)cc1 ZINC000594998315 401223731 /nfs/dbraw/zinc/22/37/31/401223731.db2.gz WCYHZJKFDHRHFQ-UHFFFAOYSA-N 2 2 323.440 3.338 20 30 DGEDLP C[C@H]1C[C@H]([NH2+]Cc2ccc(C#N)cc2)C[N@@H+]1Cc1ccccc1 ZINC000176624898 228316514 /nfs/dbraw/zinc/31/65/14/228316514.db2.gz NIKXYGDOVDXYMN-JXFKEZNVSA-N 2 2 305.425 3.311 20 30 DGEDLP C[C@H]1C[C@H]([NH2+]Cc2ccc(C#N)cc2)C[N@H+]1Cc1ccccc1 ZINC000176624898 228316517 /nfs/dbraw/zinc/31/65/17/228316517.db2.gz NIKXYGDOVDXYMN-JXFKEZNVSA-N 2 2 305.425 3.311 20 30 DGEDLP Cc1c[nH+]ccc1CC[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000353635471 267537873 /nfs/dbraw/zinc/53/78/73/267537873.db2.gz ZPJYEVKHRKOSAB-UHFFFAOYSA-N 2 2 320.440 3.063 20 30 DGEDLP N#Cc1cccc(C[NH+]2C[C@@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000348333612 268248581 /nfs/dbraw/zinc/24/85/81/268248581.db2.gz ZYHDZQWLRZCSAS-SFTDATJTSA-N 2 2 317.436 3.122 20 30 DGEDLP N#Cc1csc(C[NH+]2C[C@@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000355321465 268320026 /nfs/dbraw/zinc/32/00/26/268320026.db2.gz UARWTIGLPFIZAO-ROUUACIJSA-N 2 2 323.465 3.184 20 30 DGEDLP CC(C)(C)c1cn2c([nH+]1)CC[C@H]([NH2+][C@@H]1CCC[C@@H](C#N)C1)C2 ZINC000332584747 278564357 /nfs/dbraw/zinc/56/43/57/278564357.db2.gz CAYSEIYCZIMGII-KFWWJZLASA-N 2 2 300.450 3.167 20 30 DGEDLP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]CC#Cc1ccc(C(F)(F)F)cc1 ZINC000090180658 431889814 /nfs/dbraw/zinc/88/98/14/431889814.db2.gz LPJLVHQGLYYDMX-KEYYUXOJSA-N 2 2 324.390 3.375 20 30 DGEDLP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CC#Cc1ccc(C(F)(F)F)cc1 ZINC000090180658 431889816 /nfs/dbraw/zinc/88/98/16/431889816.db2.gz LPJLVHQGLYYDMX-KEYYUXOJSA-N 2 2 324.390 3.375 20 30 DGEDLP FC(F)(F)c1ccc(C#CC[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000090180577 431890651 /nfs/dbraw/zinc/89/06/51/431890651.db2.gz OXRMIFMVULSDLM-DLBZAZTESA-N 2 2 322.374 3.273 20 30 DGEDLP FC(F)(F)c1ccc(C#CC[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000090180577 431890653 /nfs/dbraw/zinc/89/06/53/431890653.db2.gz OXRMIFMVULSDLM-DLBZAZTESA-N 2 2 322.374 3.273 20 30 DGEDLP CCCCCCCC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000124376078 431891466 /nfs/dbraw/zinc/89/14/66/431891466.db2.gz DAQICBOMWRMRCA-UHFFFAOYSA-N 2 2 323.525 3.022 20 30 DGEDLP COc1ccc(C[NH2+]Cc2ccccc2-n2cc[nH+]c2)cc1C#N ZINC000174302177 432335006 /nfs/dbraw/zinc/33/50/06/432335006.db2.gz NWTYQMMVANCQBG-UHFFFAOYSA-N 2 2 318.380 3.042 20 30 DGEDLP C=CC[NH+]1CCC([NH2+]Cc2ccc3c(c2)CC(C)(C)O3)CC1 ZINC000236760602 432763963 /nfs/dbraw/zinc/76/39/63/432763963.db2.gz QINRGROAVKXSKJ-UHFFFAOYSA-N 2 2 300.446 3.140 20 30 DGEDLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3ccc(C#N)cc3Cl)CC[C@@H]21 ZINC000162924772 432838134 /nfs/dbraw/zinc/83/81/34/432838134.db2.gz YGFPSPYVBJCEEI-RDJZCZTQSA-N 2 2 303.837 3.128 20 30 DGEDLP C[N@H+]1CCC[C@H]2C[NH+](Cc3ccc(C#N)cc3Cl)CC[C@@H]21 ZINC000162924772 432838137 /nfs/dbraw/zinc/83/81/37/432838137.db2.gz YGFPSPYVBJCEEI-RDJZCZTQSA-N 2 2 303.837 3.128 20 30 DGEDLP C[NH+]1CCC[C@H]2C[N@H+](Cc3ccc(C#N)cc3Cl)CC[C@@H]21 ZINC000162924772 432838139 /nfs/dbraw/zinc/83/81/39/432838139.db2.gz YGFPSPYVBJCEEI-RDJZCZTQSA-N 2 2 303.837 3.128 20 30 DGEDLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3ccc(C#N)cc3Cl)CC[C@@H]21 ZINC000162924772 432838140 /nfs/dbraw/zinc/83/81/40/432838140.db2.gz YGFPSPYVBJCEEI-RDJZCZTQSA-N 2 2 303.837 3.128 20 30 DGEDLP C[C@H]1CC[N@H+](CCCOc2cccc(C#N)c2)C[C@H]1n1cc[nH+]c1 ZINC000245573600 432846544 /nfs/dbraw/zinc/84/65/44/432846544.db2.gz HFLMGRFKGLNZEO-QFBILLFUSA-N 2 2 324.428 3.107 20 30 DGEDLP C[C@H]1CC[N@@H+](CCCOc2cccc(C#N)c2)C[C@H]1n1cc[nH+]c1 ZINC000245573600 432846547 /nfs/dbraw/zinc/84/65/47/432846547.db2.gz HFLMGRFKGLNZEO-QFBILLFUSA-N 2 2 324.428 3.107 20 30 DGEDLP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000280609868 433106403 /nfs/dbraw/zinc/10/64/03/433106403.db2.gz KBZFXBWVPUYINX-LMCOJAPRSA-N 2 2 314.473 3.078 20 30 DGEDLP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000280609868 433106409 /nfs/dbraw/zinc/10/64/09/433106409.db2.gz KBZFXBWVPUYINX-LMCOJAPRSA-N 2 2 314.473 3.078 20 30 DGEDLP C=CCOc1ccc(C[NH2+]C[C@@H]([NH3+])c2ccccc2)cc1OC ZINC000414828117 433867376 /nfs/dbraw/zinc/86/73/76/433867376.db2.gz IKNPTNZZDIEYTP-QGZVFWFLSA-N 2 2 312.413 3.050 20 30 DGEDLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@@H]1CCc3ccc(C#N)cc31)CCC2 ZINC000353255809 434069199 /nfs/dbraw/zinc/06/91/99/434069199.db2.gz OGBQKVLJYRKFAM-SJLPKXTDSA-N 2 2 306.413 3.218 20 30 DGEDLP C[C@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1ccc(OCC#N)cc1 ZINC000378461746 434190187 /nfs/dbraw/zinc/19/01/87/434190187.db2.gz ZZYKFCZBNCAXEW-HNNXBMFYSA-N 2 2 324.428 3.015 20 30 DGEDLP Cc1[nH]c(C(=O)NC2CCC([NH+]3CCC(C)CC3)CC2)c[nH+]1 ZINC000328638070 434292614 /nfs/dbraw/zinc/29/26/14/434292614.db2.gz BGKHKKYZPQIIQT-UHFFFAOYSA-N 2 2 304.438 3.066 20 30 DGEDLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)c1 ZINC000329312294 434388785 /nfs/dbraw/zinc/38/87/85/434388785.db2.gz GMHLXKFJNWQBRV-AEFFLSMTSA-N 2 2 324.428 3.112 20 30 DGEDLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)c1 ZINC000329312294 434388794 /nfs/dbraw/zinc/38/87/94/434388794.db2.gz GMHLXKFJNWQBRV-AEFFLSMTSA-N 2 2 324.428 3.112 20 30 DGEDLP C=CC[C@H](C)[C@@H](C)[NH2+]CC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000423545484 434484697 /nfs/dbraw/zinc/48/46/97/434484697.db2.gz CRCYLHXVHWHVPQ-ZWKOTPCHSA-N 3 2 315.505 3.170 20 30 DGEDLP COc1cc(C[NH2+]C[C@@H](c2ccc(C)cc2)[NH+](C)C)ccc1C#N ZINC000440805908 434743785 /nfs/dbraw/zinc/74/37/85/434743785.db2.gz QFROSNNAQDZJMN-IBGZPJMESA-N 2 2 323.440 3.268 20 30 DGEDLP COc1ccc([C@H](CCC#N)[NH2+]CCCCn2cc[nH+]c2)cc1 ZINC000575081950 435005023 /nfs/dbraw/zinc/00/50/23/435005023.db2.gz YNLQAQYVTYOKPD-SFHVURJKSA-N 2 2 312.417 3.307 20 30 DGEDLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](Cc2ccccc2C(C)(C)C#N)C1 ZINC000536996300 435421928 /nfs/dbraw/zinc/42/19/28/435421928.db2.gz SLWBTXAAXSIBOU-MRXNPFEDSA-N 2 2 308.429 3.211 20 30 DGEDLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](Cc2ccccc2C(C)(C)C#N)C1 ZINC000536996300 435421930 /nfs/dbraw/zinc/42/19/30/435421930.db2.gz SLWBTXAAXSIBOU-MRXNPFEDSA-N 2 2 308.429 3.211 20 30 DGEDLP C=C[C@@H]1OCC[C@H]1C[NH2+][C@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000643793975 435369822 /nfs/dbraw/zinc/36/98/22/435369822.db2.gz PSMRLSKWZBOPAQ-OTWHNJEPSA-N 2 2 314.473 3.220 20 30 DGEDLP C=C[C@@H]1OCC[C@H]1C[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000643793975 435369828 /nfs/dbraw/zinc/36/98/28/435369828.db2.gz PSMRLSKWZBOPAQ-OTWHNJEPSA-N 2 2 314.473 3.220 20 30 DGEDLP C[C@@H]1C[C@H]([NH2+]C[C@@H](C#N)CCC#N)CC[N@@H+]1Cc1ccccc1 ZINC000516840470 435554179 /nfs/dbraw/zinc/55/41/79/435554179.db2.gz YJDFIJRFABURLI-BHIYHBOVSA-N 2 2 310.445 3.073 20 30 DGEDLP C[C@@H]1C[C@H]([NH2+]C[C@@H](C#N)CCC#N)CC[N@H+]1Cc1ccccc1 ZINC000516840470 435554184 /nfs/dbraw/zinc/55/41/84/435554184.db2.gz YJDFIJRFABURLI-BHIYHBOVSA-N 2 2 310.445 3.073 20 30 DGEDLP C[C@@H]1C[C@@H]([NH2+]C[C@H](C#N)CCC#N)CC[N@@H+]1Cc1ccccc1 ZINC000516840471 435554251 /nfs/dbraw/zinc/55/42/51/435554251.db2.gz YJDFIJRFABURLI-NEWSRXKRSA-N 2 2 310.445 3.073 20 30 DGEDLP C[C@@H]1C[C@@H]([NH2+]C[C@H](C#N)CCC#N)CC[N@H+]1Cc1ccccc1 ZINC000516840471 435554254 /nfs/dbraw/zinc/55/42/54/435554254.db2.gz YJDFIJRFABURLI-NEWSRXKRSA-N 2 2 310.445 3.073 20 30 DGEDLP Cc1[nH+]cc(C[NH2+]C2CCC(Oc3ccccc3C#N)CC2)n1C ZINC000583511094 324364438 /nfs/dbraw/zinc/36/44/38/324364438.db2.gz PKTPGCNVBKSDOF-UHFFFAOYSA-N 2 2 324.428 3.080 20 30 DGEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2cc(Cl)c(F)cc2O)CC1 ZINC000293655621 335114353 /nfs/dbraw/zinc/11/43/53/335114353.db2.gz PCDQFTKBWSYWFU-UHFFFAOYSA-N 2 2 312.816 3.315 20 30 DGEDLP C=CCC[C@H](C)[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000390625788 333307828 /nfs/dbraw/zinc/30/78/28/333307828.db2.gz HYVICVPKILSPOR-PKOBYXMFSA-N 2 2 302.462 3.222 20 30 DGEDLP C=CCC[C@H](C)[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000390625788 333307830 /nfs/dbraw/zinc/30/78/30/333307830.db2.gz HYVICVPKILSPOR-PKOBYXMFSA-N 2 2 302.462 3.222 20 30 DGEDLP C=CCOc1cccc(C[NH+]2CCN(c3cc(C)cc[nH+]3)CC2)c1 ZINC000510532557 340302048 /nfs/dbraw/zinc/30/20/48/340302048.db2.gz GOJGRYJUEBJXNV-UHFFFAOYSA-N 2 2 323.440 3.277 20 30 DGEDLP C=CC[NH+]1CCC([NH2+]Cc2nc3ccc(F)cc3s2)CC1 ZINC000428875467 526451551 /nfs/dbraw/zinc/45/15/51/526451551.db2.gz FZDRALIRNVPBBW-UHFFFAOYSA-N 2 2 305.422 3.175 20 30 DGEDLP C=CC[NH+]1CCC(Nc2[nH+]ccc3ccc([N+](=O)[O-])cc32)CC1 ZINC000413136385 526454845 /nfs/dbraw/zinc/45/48/45/526454845.db2.gz XYNCYSHVOCRPDF-UHFFFAOYSA-N 2 2 312.373 3.205 20 30 DGEDLP C=C(C)C[N@@H+](CCCn1cc[nH+]c1)Cc1cnn(C(C)C)c1 ZINC000352911790 526552574 /nfs/dbraw/zinc/55/25/74/526552574.db2.gz AZIOLDKURUCOPB-UHFFFAOYSA-N 2 2 301.438 3.129 20 30 DGEDLP C=C(C)C[N@H+](CCCn1cc[nH+]c1)Cc1cnn(C(C)C)c1 ZINC000352911790 526552580 /nfs/dbraw/zinc/55/25/80/526552580.db2.gz AZIOLDKURUCOPB-UHFFFAOYSA-N 2 2 301.438 3.129 20 30 DGEDLP C=CCOc1ccc(C[NH2+]C[C@H]2CCCn3cc(C)[nH+]c32)cc1 ZINC000344513370 526886044 /nfs/dbraw/zinc/88/60/44/526886044.db2.gz LNCPTCWJECZILZ-QGZVFWFLSA-N 2 2 311.429 3.424 20 30 DGEDLP CC[NH+]=C(NCCc1cc[nH+]cc1C)N1CC[C@](C)(CC)C1 ZINC000261745795 528807676 /nfs/dbraw/zinc/80/76/76/528807676.db2.gz LFUGPWPIKWRIJS-SFHVURJKSA-N 2 2 302.466 3.020 20 30 DGEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)c2ccnn2-c2ccccc2)CC1 ZINC000281292735 546386430 /nfs/dbraw/zinc/38/64/30/546386430.db2.gz QOCDDTCWBNZQDT-INIZCTEOSA-N 2 2 310.445 3.173 20 30 DGEDLP C=C(C)[C@H]([NH2+]Cc1c[nH+]c(N(C)C)n1C)c1ccc(F)c(F)c1 ZINC000419687465 546804539 /nfs/dbraw/zinc/80/45/39/546804539.db2.gz PTOFNYIMMUHDBT-INIZCTEOSA-N 2 2 320.387 3.171 20 30 DGEDLP C=CCC[C@@H](CC)[NH2+][C@@]1(CO)CCC[N@H+](Cc2ccccc2)C1 ZINC000679045136 548822661 /nfs/dbraw/zinc/82/26/61/548822661.db2.gz SQTILFBNXWIJPU-UXHICEINSA-N 2 2 316.489 3.348 20 30 DGEDLP C=CCC[C@@H](CC)[NH2+][C@@]1(CO)CCC[N@@H+](Cc2ccccc2)C1 ZINC000679045136 548822667 /nfs/dbraw/zinc/82/26/67/548822667.db2.gz SQTILFBNXWIJPU-UXHICEINSA-N 2 2 316.489 3.348 20 30 DGEDLP C=CCC[C@H](CC)[NH2+][C@@]1(CO)CCC[N@H+](Cc2ccccc2)C1 ZINC000679045134 548822709 /nfs/dbraw/zinc/82/27/09/548822709.db2.gz SQTILFBNXWIJPU-PMACEKPBSA-N 2 2 316.489 3.348 20 30 DGEDLP C=CCC[C@H](CC)[NH2+][C@@]1(CO)CCC[N@@H+](Cc2ccccc2)C1 ZINC000679045134 548822713 /nfs/dbraw/zinc/82/27/13/548822713.db2.gz SQTILFBNXWIJPU-PMACEKPBSA-N 2 2 316.489 3.348 20 30 DGEDLP C=CCCCO[NH+]=C(N)c1ccccc1C[NH+]1CCCCC1 ZINC000740872188 574944357 /nfs/dbraw/zinc/94/43/57/574944357.db2.gz IBTKEHIYGVPGRJ-UHFFFAOYSA-N 2 2 301.434 3.485 20 30 DGEDLP CC[C@@H](CO[NH+]=C(N)c1ccc(C[NH+](C)C)cc1)CC(F)F ZINC000853674088 620723765 /nfs/dbraw/zinc/72/37/65/620723765.db2.gz RBHINACCDJBIGJ-GFCCVEGCSA-N 2 2 313.392 3.067 20 30 DGEDLP C[C@H](CC(C)(C)C#N)N(c1cccc[nH+]1)[C@H]1CC[C@H]([NH3+])CC1 ZINC000895132698 618546606 /nfs/dbraw/zinc/54/66/06/618546606.db2.gz YQABZQUOQDSPOP-BZUAXINKSA-N 2 2 300.450 3.486 20 30 DGEDLP C[C@@H]([NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1cc(C#N)ccn1 ZINC000902975934 619698463 /nfs/dbraw/zinc/69/84/63/619698463.db2.gz LDCCTLUUSCKBAB-APWZRJJASA-N 2 2 320.440 3.126 20 30 DGEDLP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1cc(C#N)ccn1 ZINC000902975934 619698464 /nfs/dbraw/zinc/69/84/64/619698464.db2.gz LDCCTLUUSCKBAB-APWZRJJASA-N 2 2 320.440 3.126 20 30 DGEDLP N#CC1(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)CC1 ZINC000903105452 619717400 /nfs/dbraw/zinc/71/74/00/619717400.db2.gz CJUSCVOITPKCGM-GUDVDZBRSA-N 2 2 309.457 3.323 20 30 DGEDLP N#CC1(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)CC1 ZINC000903105452 619717403 /nfs/dbraw/zinc/71/74/03/619717403.db2.gz CJUSCVOITPKCGM-GUDVDZBRSA-N 2 2 309.457 3.323 20 30 DGEDLP CC(C)CSCCCO[NH+]=C(N)c1ccc(C[NH+](C)C)cc1 ZINC000752786728 621410474 /nfs/dbraw/zinc/41/04/74/621410474.db2.gz NDEBSHKWLOUZAX-UHFFFAOYSA-N 2 2 323.506 3.164 20 30 DGEDLP C[NH+](C)CCOc1ccc([N@H+](C)CC(C)(C)CCC#N)cc1 ZINC000761224400 621995654 /nfs/dbraw/zinc/99/56/54/621995654.db2.gz ZPHNBUCVLZSIDX-UHFFFAOYSA-N 2 2 303.450 3.393 20 30 DGEDLP C[NH+](C)CCOc1ccc([N@@H+](C)CC(C)(C)CCC#N)cc1 ZINC000761224400 621995656 /nfs/dbraw/zinc/99/56/56/621995656.db2.gz ZPHNBUCVLZSIDX-UHFFFAOYSA-N 2 2 303.450 3.393 20 30 DGEDLP C[C@@H](CC[NH2+][C@@H](C)c1cccc(C#N)c1O)[NH+]1CCCCC1 ZINC000866338395 622096991 /nfs/dbraw/zinc/09/69/91/622096991.db2.gz RBXOQAOFWULWOX-GJZGRUSLSA-N 2 2 301.434 3.179 20 30 DGEDLP C[C@@H]([NH2+]CC(C)(C)C[NH+]1CCCC1)c1cccc(C#N)c1O ZINC000866346639 622099023 /nfs/dbraw/zinc/09/90/23/622099023.db2.gz MOMHDEYDLBLBKB-CQSZACIVSA-N 2 2 301.434 3.036 20 30 DGEDLP C[C@@H]([NH2+]C[C@@H]1CCC(C)(C)C[NH2+]1)c1ccc(OCC#N)cc1 ZINC000873238089 623086661 /nfs/dbraw/zinc/08/66/61/623086661.db2.gz WZYVIAVCHRVASM-ZBFHGGJFSA-N 2 2 301.434 3.018 20 30 DGEDLP C=CC[NH+]1CCC([NH2+][C@@H](c2ccccc2)C2CCOCC2)CC1 ZINC000782761780 624281067 /nfs/dbraw/zinc/28/10/67/624281067.db2.gz QENRFYDHBNFUIS-FQEVSTJZSA-N 2 2 314.473 3.394 20 30 DGEDLP C=CCC[C@@H]([NH2+]CCCn1cc[nH+]c1)[C@@H]1Cc2ccccc2O1 ZINC000883164274 625948419 /nfs/dbraw/zinc/94/84/19/625948419.db2.gz ABYUKPYEUMBPQO-MJGOQNOKSA-N 2 2 311.429 3.201 20 30 DGEDLP C=CCC[C@H](COc1ccccc1)[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000883217484 626612329 /nfs/dbraw/zinc/61/23/29/626612329.db2.gz JTFBDQAXOKKQAN-IAGOWNOFSA-N 2 2 311.429 3.201 20 30 DGEDLP C=CCC[C@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)[C@H]1Cc2ccccc2O1 ZINC000883223286 626614004 /nfs/dbraw/zinc/61/40/04/626614004.db2.gz MASYZGBTCXYAHO-OXFYSEKESA-N 2 2 323.440 3.195 20 30 DGEDLP C#CCOc1ccccc1C[N@H+](CC)CCC[NH+]1CCCC1 ZINC000809749046 626945868 /nfs/dbraw/zinc/94/58/68/626945868.db2.gz AXOBEYNMMFBHHC-UHFFFAOYSA-N 2 2 300.446 3.006 20 30 DGEDLP C#CCOc1ccccc1C[N@@H+](CC)CCC[NH+]1CCCC1 ZINC000809749046 626945871 /nfs/dbraw/zinc/94/58/71/626945871.db2.gz AXOBEYNMMFBHHC-UHFFFAOYSA-N 2 2 300.446 3.006 20 30 DGEDLP Cc1[nH]c(C2CC[NH+](Cc3cccc(C#N)c3F)CC2)[nH+]c1C ZINC000886664184 627183445 /nfs/dbraw/zinc/18/34/45/627183445.db2.gz DZYCAKQEELLMFT-UHFFFAOYSA-N 2 2 312.392 3.417 20 30 DGEDLP CCC1([NH+]2CCC2)CC[NH+](Cc2ccc(OCC#N)cc2)CC1 ZINC000886710663 627195851 /nfs/dbraw/zinc/19/58/51/627195851.db2.gz CVJHGPSEJPVBFT-UHFFFAOYSA-N 2 2 313.445 3.039 20 30 DGEDLP CC[C@H]([NH2+]CC1(C)CC[NH+](C)CC1)c1cccc(C#N)c1O ZINC000926116059 627846638 /nfs/dbraw/zinc/84/66/38/627846638.db2.gz WQACNSXFSQZGFC-INIZCTEOSA-N 2 2 301.434 3.036 20 30 DGEDLP CC[C@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1cccc(C#N)c1O ZINC000926753173 627946918 /nfs/dbraw/zinc/94/69/18/627946918.db2.gz FRTSDRIGDMTTGF-PBHICJAKSA-N 2 2 301.434 3.036 20 30 DGEDLP CC[C@H](C#N)Oc1cccc(C[NH2+][C@@H](C)c2c[nH+]ccc2N)c1 ZINC000817917941 627961340 /nfs/dbraw/zinc/96/13/40/627961340.db2.gz JKRRTZBRIXXYRN-DZGCQCFKSA-N 2 2 310.401 3.026 20 30 DGEDLP CC[C@H]([NH2+]C[C@@H]([NH3+])c1ccc(N(C)C)cc1)c1ccc(C#N)cc1 ZINC000817944188 627969864 /nfs/dbraw/zinc/96/98/64/627969864.db2.gz YAFFZHJCNLAGRT-UXHICEINSA-N 2 2 322.456 3.365 20 30 DGEDLP C#CCC[NH+]1CCN(c2cc[nH+]c3cc(F)c(Cl)cc32)CC1 ZINC000827553096 628970122 /nfs/dbraw/zinc/97/01/22/628970122.db2.gz ZIWZEDCJVBACOC-UHFFFAOYSA-N 2 2 317.795 3.173 20 30 DGEDLP C[C@H]([NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12)c1ccc(OCC#N)cc1 ZINC000848569180 631697137 /nfs/dbraw/zinc/69/71/37/631697137.db2.gz WLTRURXMDGSXDO-ZYSHUDEJSA-N 2 2 313.445 3.256 20 30 DGEDLP C[C@H]([NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12)c1ccc(OCC#N)cc1 ZINC000848569180 631697140 /nfs/dbraw/zinc/69/71/40/631697140.db2.gz WLTRURXMDGSXDO-ZYSHUDEJSA-N 2 2 313.445 3.256 20 30 DGEDLP C=C(C)C[NH2+][C@@H]1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)C[C@@H]1C ZINC001036114879 660875742 /nfs/dbraw/zinc/87/57/42/660875742.db2.gz IPETVQNKPYIZQB-WMLDXEAASA-N 2 2 315.461 3.023 20 30 DGEDLP C=C(C)C[N@@H+](C)[C@@H]1CCCN(C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001027501296 656320755 /nfs/dbraw/zinc/32/07/55/656320755.db2.gz VLCQXJNUIYNKIP-QGZVFWFLSA-N 2 2 315.461 3.119 20 30 DGEDLP C=C(C)C[N@H+](C)[C@@H]1CCCN(C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001027501296 656320757 /nfs/dbraw/zinc/32/07/57/656320757.db2.gz VLCQXJNUIYNKIP-QGZVFWFLSA-N 2 2 315.461 3.119 20 30 DGEDLP CCCCCCCC[C@@H]([NH3+])C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC001343409799 1179269483 /nfs/dbraw/zinc/26/94/83/1179269483.db2.gz SGOOBNBLRLEVQU-QGZVFWFLSA-N 2 2 320.481 3.125 20 30 DGEDLP C#CC[N@H+](C[C@H]1C[NH+](Cc2ccccc2)CCCO1)C(C)(C)C ZINC001473808524 1183806372 /nfs/dbraw/zinc/80/63/72/1183806372.db2.gz GBVDOPYKKBRDJD-LJQANCHMSA-N 2 2 314.473 3.011 20 30 DGEDLP C#CC[N@@H+](C[C@H]1C[NH+](Cc2ccccc2)CCCO1)C(C)(C)C ZINC001473808524 1183806374 /nfs/dbraw/zinc/80/63/74/1183806374.db2.gz GBVDOPYKKBRDJD-LJQANCHMSA-N 2 2 314.473 3.011 20 30 DGEDLP C#CC[NH+](C[C@H]1C[N@H+](Cc2ccccc2)CCCO1)C(C)(C)C ZINC001473808524 1183806377 /nfs/dbraw/zinc/80/63/77/1183806377.db2.gz GBVDOPYKKBRDJD-LJQANCHMSA-N 2 2 314.473 3.011 20 30 DGEDLP C#CC[NH+](C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)C(C)(C)C ZINC001473808524 1183806380 /nfs/dbraw/zinc/80/63/80/1183806380.db2.gz GBVDOPYKKBRDJD-LJQANCHMSA-N 2 2 314.473 3.011 20 30 DGEDLP C=CCCC[NH2+][C@H](CNC(=O)c1c(C)cc(C)[nH+]c1C)C1CC1 ZINC001480033781 1184414308 /nfs/dbraw/zinc/41/43/08/1184414308.db2.gz GQMORFMOLKDAHP-QGZVFWFLSA-N 2 2 315.461 3.071 20 30 DGEDLP C=CCC[C@@H](O)C[N@H+]1CCC[C@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001620680664 1193790021 /nfs/dbraw/zinc/79/00/21/1193790021.db2.gz MDTATCIWTJXAMS-JKSUJKDBSA-N 2 2 305.466 3.145 20 30 DGEDLP C=CCC[C@@H](O)C[N@@H+]1CCC[C@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001620680664 1193790024 /nfs/dbraw/zinc/79/00/24/1193790024.db2.gz MDTATCIWTJXAMS-JKSUJKDBSA-N 2 2 305.466 3.145 20 30 DGEDLP C#CC[N@H+](C)CCC[NH2+]Cc1ccccc1OCc1ccccc1 ZINC001657452793 1196143768 /nfs/dbraw/zinc/14/37/68/1196143768.db2.gz YKOBOFKUSFOJOB-UHFFFAOYSA-N 2 2 322.452 3.310 20 30 DGEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1ccccc1OCc1ccccc1 ZINC001657452793 1196143773 /nfs/dbraw/zinc/14/37/73/1196143773.db2.gz YKOBOFKUSFOJOB-UHFFFAOYSA-N 2 2 322.452 3.310 20 30 DGEDLP N#Cc1cc(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)ccc1F ZINC000310044195 1199712106 /nfs/dbraw/zinc/71/21/06/1199712106.db2.gz AGBRLHFPIXDHAW-UHFFFAOYSA-N 2 2 323.415 3.452 20 30 DGEDLP C=CC[NH2+][C@@H](CCN(C)C(=O)c1c(C)cc(C)[nH+]c1C)C(C)C ZINC001725209904 1204119638 /nfs/dbraw/zinc/11/96/38/1204119638.db2.gz CDVRRUWARXWULV-KRWDZBQOSA-N 2 2 317.477 3.269 20 30 DGEDLP N#Cc1c[nH]c2cc[nH+]c(N3CCCC[C@H]3CC[NH+]3CCCC3)c12 ZINC001165049086 721974236 /nfs/dbraw/zinc/97/42/36/721974236.db2.gz MWQUDEIQFZXVME-INIZCTEOSA-N 2 2 323.444 3.279 20 30 DGEDLP C=CCC[C@H](C)[N@H+](CC)CCNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001480988114 1083062802 /nfs/dbraw/zinc/06/28/02/1083062802.db2.gz NPKQYTMVECLQRS-INIZCTEOSA-N 2 2 317.477 3.413 20 30 DGEDLP C=CCC[C@H](C)[N@@H+](CC)CCNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001480988114 1083062805 /nfs/dbraw/zinc/06/28/05/1083062805.db2.gz NPKQYTMVECLQRS-INIZCTEOSA-N 2 2 317.477 3.413 20 30 DGEDLP Cc1[nH+]c(N(C2CCCC2)C2CC[NH+](C)CC2)ccc1CC#N ZINC001158487713 1087860046 /nfs/dbraw/zinc/86/00/46/1087860046.db2.gz NYWFPLZUCUKLII-UHFFFAOYSA-N 2 2 312.461 3.299 20 30 DGEDLP CCCCCCC[N@H+](CC)[C@H](C)CNC(=O)CCc1[nH]cc[nH+]1 ZINC001153114677 1088170568 /nfs/dbraw/zinc/17/05/68/1088170568.db2.gz HHVJFBFUXWEUHB-MRXNPFEDSA-N 2 2 322.497 3.139 20 30 DGEDLP CCCCCCC[N@@H+](CC)[C@H](C)CNC(=O)CCc1[nH]cc[nH+]1 ZINC001153114677 1088170576 /nfs/dbraw/zinc/17/05/76/1088170576.db2.gz HHVJFBFUXWEUHB-MRXNPFEDSA-N 2 2 322.497 3.139 20 30 DGEDLP C[C@H](C[NH3+])CN(Cc1ccccc1)c1[nH+]ccc2[nH]cc(C#N)c21 ZINC001160666503 1088910329 /nfs/dbraw/zinc/91/03/29/1088910329.db2.gz YSOBCXWSEFDCBF-CQSZACIVSA-N 2 2 319.412 3.036 20 30 DGEDLP C[C@]1([NH3+])CCC[N@H+](Cc2ccc(Br)c(C#N)c2)CC1 ZINC001205280831 1091162290 /nfs/dbraw/zinc/16/22/90/1091162290.db2.gz JUTFGDHIFRICBF-HNNXBMFYSA-N 2 2 322.250 3.024 20 30 DGEDLP C[C@]1([NH3+])CCC[N@@H+](Cc2ccc(Br)c(C#N)c2)CC1 ZINC001205280831 1091162297 /nfs/dbraw/zinc/16/22/97/1091162297.db2.gz JUTFGDHIFRICBF-HNNXBMFYSA-N 2 2 322.250 3.024 20 30 DGEDLP Cc1c[nH+]c2n1CCC21CC[NH+](Cc2ccc(F)c(C#N)c2)CC1 ZINC001205467618 1091229942 /nfs/dbraw/zinc/22/99/42/1091229942.db2.gz VKYZMVDPDOQADV-UHFFFAOYSA-N 2 2 324.403 3.140 20 30 DGEDLP C=CCCCC[N@@H+](C)Cc1cccc(C[NH+]2CCOCC2)c1 ZINC001139059774 1091431894 /nfs/dbraw/zinc/43/18/94/1091431894.db2.gz HNKYNKATCBUJJG-UHFFFAOYSA-N 2 2 302.462 3.307 20 30 DGEDLP C=CCCCC[N@H+](C)Cc1cccc(C[NH+]2CCOCC2)c1 ZINC001139059774 1091431898 /nfs/dbraw/zinc/43/18/98/1091431898.db2.gz HNKYNKATCBUJJG-UHFFFAOYSA-N 2 2 302.462 3.307 20 30 DGEDLP CC[NH+](CC)C1CC[NH+](Cc2c[nH]c3cc(C#N)ccc23)CC1 ZINC001142921456 1092587688 /nfs/dbraw/zinc/58/76/88/1092587688.db2.gz NMCLZAWLSBEKEX-UHFFFAOYSA-N 2 2 310.445 3.346 20 30 DGEDLP C=CCCCCCC[N@H+]1CCc2onc(Cn3cc[nH+]c3)c2C1 ZINC001209435485 1092773571 /nfs/dbraw/zinc/77/35/71/1092773571.db2.gz KHYGGBHMLNKOET-UHFFFAOYSA-N 2 2 314.433 3.414 20 30 DGEDLP C=C(Cl)C[NH2+][C@@H](C)C[C@H](C)NC(=O)c1c(C)cc(C)[nH+]c1C ZINC001135037068 1094375917 /nfs/dbraw/zinc/37/59/17/1094375917.db2.gz FJPCSIBCKJRIBQ-JSGCOSHPSA-N 2 2 323.868 3.246 20 30 DGEDLP CCCCCCC[NH2+][C@@H](C)C[C@H](C)NC(=O)CCn1cc[nH+]c1 ZINC001135138103 1094415233 /nfs/dbraw/zinc/41/52/33/1094415233.db2.gz WOIGPYXWALWMKS-IRXDYDNUSA-N 2 2 322.497 3.117 20 30 DGEDLP COC(=O)c1ccc(C(=[NH2+])Nc2ccc3c[nH+]c(C)cc3c2)cc1 ZINC001170989044 1095087386 /nfs/dbraw/zinc/08/73/86/1095087386.db2.gz JDMXULTVODYCIL-UHFFFAOYSA-N 2 2 319.364 3.367 20 30 DGEDLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](CC2CCC(C#N)CC2)C1 ZINC001340694706 1096008610 /nfs/dbraw/zinc/00/86/10/1096008610.db2.gz RXIQLMTWTNEHMX-OFLPRAFFSA-N 2 2 300.450 3.005 20 30 DGEDLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](CC2CCC(C#N)CC2)C1 ZINC001340694706 1096008617 /nfs/dbraw/zinc/00/86/17/1096008617.db2.gz RXIQLMTWTNEHMX-OFLPRAFFSA-N 2 2 300.450 3.005 20 30 DGEDLP C=CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1c(C)cc(C)[nH+]c1C ZINC001227636718 1096965461 /nfs/dbraw/zinc/96/54/61/1096965461.db2.gz GRPBEZJBCVFVOM-IAGOWNOFSA-N 2 2 315.461 3.214 20 30 DGEDLP Cc1[nH+]cn([C@@H](C)Cc2ccc(C#N)cc2)c1CSCC[NH3+] ZINC001172302085 1097095123 /nfs/dbraw/zinc/09/51/23/1097095123.db2.gz CQZQSRFSNGIPNC-ZDUSSCGKSA-N 2 2 314.458 3.059 20 30 DGEDLP C#Cc1cc(Nc2ccc(OCC[NH+]3CCCCC3)cc2)cc[nH+]1 ZINC001175796059 1098175338 /nfs/dbraw/zinc/17/53/38/1098175338.db2.gz BJLQRCSUQIOMAP-UHFFFAOYSA-N 2 2 321.424 3.093 20 30 DGEDLP N#Cc1cccc2c(C[N@@H+]3CCCC[C@@]34CCC[NH2+]C4)c[nH]c21 ZINC001235168304 1098850632 /nfs/dbraw/zinc/85/06/32/1098850632.db2.gz QNGOLZVHOAMZOW-IBGZPJMESA-N 2 2 308.429 3.148 20 30 DGEDLP N#Cc1cccc2c(C[N@H+]3CCCC[C@@]34CCC[NH2+]C4)c[nH]c21 ZINC001235168304 1098850635 /nfs/dbraw/zinc/85/06/35/1098850635.db2.gz QNGOLZVHOAMZOW-IBGZPJMESA-N 2 2 308.429 3.148 20 30 DGEDLP N#Cc1ccc2[nH]cc(C[N@@H+]3CCCC[C@@]34CCC[NH2+]C4)c2c1 ZINC001235167639 1098851063 /nfs/dbraw/zinc/85/10/63/1098851063.db2.gz LKSYSJVLNFRDSX-IBGZPJMESA-N 2 2 308.429 3.148 20 30 DGEDLP N#Cc1ccc2[nH]cc(C[N@H+]3CCCC[C@@]34CCC[NH2+]C4)c2c1 ZINC001235167639 1098851069 /nfs/dbraw/zinc/85/10/69/1098851069.db2.gz LKSYSJVLNFRDSX-IBGZPJMESA-N 2 2 308.429 3.148 20 30 DGEDLP N#Cc1ccc2c(c1)C[C@H]([NH2+]Cc1ccc(-n3cc[nH+]c3)cc1)C2 ZINC001179419866 1099099599 /nfs/dbraw/zinc/09/95/99/1099099599.db2.gz VHYSYLYSWSJSKU-LJQANCHMSA-N 2 2 314.392 3.001 20 30 DGEDLP C(#Cc1ccccc1C[N@@H+]1CCCC2(C[NH2+]C2)C1)c1ccccc1 ZINC001235713214 1099142171 /nfs/dbraw/zinc/14/21/71/1099142171.db2.gz KGMAGGVQKSQNMR-UHFFFAOYSA-N 2 2 316.448 3.272 20 30 DGEDLP C(#Cc1ccccc1C[N@H+]1CCCC2(C[NH2+]C2)C1)c1ccccc1 ZINC001235713214 1099142174 /nfs/dbraw/zinc/14/21/74/1099142174.db2.gz KGMAGGVQKSQNMR-UHFFFAOYSA-N 2 2 316.448 3.272 20 30 DGEDLP CC(C)[N@H+](CC[NH3+])Cc1ccc(N(C)c2ccc(C#N)cc2)cc1 ZINC001235948108 1099281462 /nfs/dbraw/zinc/28/14/62/1099281462.db2.gz JBWWHCUPYSBUPN-UHFFFAOYSA-N 2 2 322.456 3.495 20 30 DGEDLP CC(C)[N@@H+](CC[NH3+])Cc1ccc(N(C)c2ccc(C#N)cc2)cc1 ZINC001235948108 1099281467 /nfs/dbraw/zinc/28/14/67/1099281467.db2.gz JBWWHCUPYSBUPN-UHFFFAOYSA-N 2 2 322.456 3.495 20 30 DGEDLP N#Cc1ccc(CC[N@H+](Cc2ccccc2)[C@@H]2CCC[NH2+]C2)cc1 ZINC001236268786 1099509626 /nfs/dbraw/zinc/50/96/26/1099509626.db2.gz GQUGRZATOFFUHM-OAQYLSRUSA-N 2 2 319.452 3.355 20 30 DGEDLP N#Cc1ccc(CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[NH2+]C2)cc1 ZINC001236268786 1099509643 /nfs/dbraw/zinc/50/96/43/1099509643.db2.gz GQUGRZATOFFUHM-OAQYLSRUSA-N 2 2 319.452 3.355 20 30 DGEDLP N#Cc1cc(-c2ccccc2C[N@H+]2CC[C@H]([NH3+])C2)ccc1Cl ZINC001240403175 1100979055 /nfs/dbraw/zinc/97/90/55/1100979055.db2.gz FZVBPQQOXQHSDX-INIZCTEOSA-N 2 2 311.816 3.412 20 30 DGEDLP N#Cc1cc(-c2ccccc2C[N@@H+]2CC[C@H]([NH3+])C2)ccc1Cl ZINC001240403175 1100979060 /nfs/dbraw/zinc/97/90/60/1100979060.db2.gz FZVBPQQOXQHSDX-INIZCTEOSA-N 2 2 311.816 3.412 20 30 DGEDLP N#CC1(c2ccccc2-c2ccn3cc[nH+]c3c2)CC[NH2+]CC1 ZINC001240513629 1101030610 /nfs/dbraw/zinc/03/06/10/1101030610.db2.gz XBKBHJHJQONIDD-UHFFFAOYSA-N 2 2 302.381 3.146 20 30 DGEDLP CCCCCCC[NH+]1C[C@@H]2C[NH+](Cc3cccnc3)C[C@H]2C1 ZINC001201762548 1102722097 /nfs/dbraw/zinc/72/20/97/1102722097.db2.gz PAAQIEBNADGHQY-RTBURBONSA-N 2 2 301.478 3.416 20 30 DGEDLP C=CCCCC[NH2+][C@@]12CC[C@@]([NH2+]CCn3cc[nH+]c3)(C1)CCC2 ZINC001274975225 1104563656 /nfs/dbraw/zinc/56/36/56/1104563656.db2.gz ZXQNTSXAOCUOAQ-RBUKOAKNSA-N 3 2 316.493 3.264 20 30 DGEDLP C=CCCCC[N@@H+]1CCC[C@@]2(CCC[NH+](Cc3cn[nH]c3)C2)C1 ZINC001274975004 1104564322 /nfs/dbraw/zinc/56/43/22/1104564322.db2.gz TXXQBPPFPMTEDQ-LJQANCHMSA-N 2 2 316.493 3.444 20 30 DGEDLP C=CCCCC[N@H+]1CCC[C@@]2(CCC[NH+](Cc3cn[nH]c3)C2)C1 ZINC001274975004 1104564329 /nfs/dbraw/zinc/56/43/29/1104564329.db2.gz TXXQBPPFPMTEDQ-LJQANCHMSA-N 2 2 316.493 3.444 20 30 DGEDLP C=CCCCC[NH+]1CCC[C@@]2(CCC[N@H+](Cc3cn[nH]c3)C2)C1 ZINC001274975004 1104564335 /nfs/dbraw/zinc/56/43/35/1104564335.db2.gz TXXQBPPFPMTEDQ-LJQANCHMSA-N 2 2 316.493 3.444 20 30 DGEDLP C=CCCCC[NH+]1CCC[C@@]2(CCC[N@@H+](Cc3cn[nH]c3)C2)C1 ZINC001274975004 1104564338 /nfs/dbraw/zinc/56/43/38/1104564338.db2.gz TXXQBPPFPMTEDQ-LJQANCHMSA-N 2 2 316.493 3.444 20 30 DGEDLP C=C[C@H](COC)[NH2+][C@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC001330620666 1104595268 /nfs/dbraw/zinc/59/52/68/1104595268.db2.gz GOFHCPWGHOHRCD-ZIFCJYIRSA-N 2 2 300.446 3.145 20 30 DGEDLP C=C[C@H](COC)[NH2+][C@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC001330620666 1104595274 /nfs/dbraw/zinc/59/52/74/1104595274.db2.gz GOFHCPWGHOHRCD-ZIFCJYIRSA-N 2 2 300.446 3.145 20 30 DGEDLP C=CCCCCCC[N@@H+]1CC[C@H]2[C@@H]1CCN2CCn1cc[nH+]c1 ZINC001276041942 1105004185 /nfs/dbraw/zinc/00/41/85/1105004185.db2.gz ROIJKSODIRLRPP-OALUTQOASA-N 2 2 316.493 3.168 20 30 DGEDLP C=CCCCCCC[N@H+]1CC[C@H]2[C@@H]1CCN2CCn1cc[nH+]c1 ZINC001276041942 1105004191 /nfs/dbraw/zinc/00/41/91/1105004191.db2.gz ROIJKSODIRLRPP-OALUTQOASA-N 2 2 316.493 3.168 20 30 DGEDLP C=CCCCCCC[C@H](O)C[NH+]1CCc2[nH]c(C)[nH+]c2CC1 ZINC001253236835 1105907569 /nfs/dbraw/zinc/90/75/69/1105907569.db2.gz UMLJDFSEWIGMON-INIZCTEOSA-N 2 2 305.466 3.006 20 30 DGEDLP Cc1c(F)cccc1C[NH+]1CCC([NH2+][C@@H]2CC[C@H](C#N)C2)CC1 ZINC001254649044 1106121650 /nfs/dbraw/zinc/12/16/50/1106121650.db2.gz LXRSXGVDDCZHFX-MAUKXSAKSA-N 2 2 315.436 3.380 20 30 DGEDLP N#Cc1coc(C[NH2+][C@H]2CCC[N@H+](Cc3ccccc3)CC2)c1 ZINC001255398417 1106243646 /nfs/dbraw/zinc/24/36/46/1106243646.db2.gz ULIBNTUGDGFFMC-SFHVURJKSA-N 2 2 309.413 3.296 20 30 DGEDLP N#Cc1coc(C[NH2+][C@H]2CCC[N@@H+](Cc3ccccc3)CC2)c1 ZINC001255398417 1106243648 /nfs/dbraw/zinc/24/36/48/1106243648.db2.gz ULIBNTUGDGFFMC-SFHVURJKSA-N 2 2 309.413 3.296 20 30 DGEDLP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(C#N)nc2)CC[N@@H+]1Cc1ccccc1 ZINC001256537482 1106437605 /nfs/dbraw/zinc/43/76/05/1106437605.db2.gz OQUFALDRTPFRQS-APWZRJJASA-N 2 2 320.440 3.096 20 30 DGEDLP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(C#N)nc2)CC[N@H+]1Cc1ccccc1 ZINC001256537482 1106437608 /nfs/dbraw/zinc/43/76/08/1106437608.db2.gz OQUFALDRTPFRQS-APWZRJJASA-N 2 2 320.440 3.096 20 30 DGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]Cc3ccccc3F)CC2)cc1 ZINC000181398434 199290954 /nfs/dbraw/zinc/29/09/54/199290954.db2.gz HRWIWRUWZQXXOL-UHFFFAOYSA-N 2 2 323.415 3.452 20 30 DGEDLP C[N@@H+](CC#Cc1ccc(C(F)(F)F)cc1)CCCn1cc[nH+]c1 ZINC000130374256 529823396 /nfs/dbraw/zinc/82/33/96/529823396.db2.gz ZRVKNQWOWDTROS-UHFFFAOYSA-N 2 2 321.346 3.276 20 30 DGEDLP C[N@H+](CC#Cc1ccc(C(F)(F)F)cc1)CCCn1cc[nH+]c1 ZINC000130374256 529823397 /nfs/dbraw/zinc/82/33/97/529823397.db2.gz ZRVKNQWOWDTROS-UHFFFAOYSA-N 2 2 321.346 3.276 20 30 DGEDLP [NH2+]=C(NCCCCNc1cccc[nH+]1)Nc1ccc2c(c1)CCC2 ZINC000104192065 432015223 /nfs/dbraw/zinc/01/52/23/432015223.db2.gz ASYVLHGYPQASHX-UHFFFAOYSA-N 2 2 323.444 3.189 20 30 DGEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000106246291 432020473 /nfs/dbraw/zinc/02/04/73/432020473.db2.gz WSVKKFYMIFKNAN-UHFFFAOYSA-N 3 2 310.445 3.002 20 30 DGEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000177910372 186202582 /nfs/dbraw/zinc/20/25/82/186202582.db2.gz KYQRBXWPCXHBCN-INIZCTEOSA-N 3 2 310.445 3.173 20 30 DGEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)c2ccc(-n3ccnc3)cc2)CC1 ZINC000177910372 186202583 /nfs/dbraw/zinc/20/25/83/186202583.db2.gz KYQRBXWPCXHBCN-INIZCTEOSA-N 2 2 310.445 3.173 20 30 DGEDLP Cc1cc[nH+]c(N2CC[NH+]([C@H](C)c3ccc(C#N)cc3)CC2)c1 ZINC000166136845 432058425 /nfs/dbraw/zinc/05/84/25/432058425.db2.gz MSHNBKKXADXCCF-MRXNPFEDSA-N 2 2 306.413 3.145 20 30 DGEDLP C=C(C)COc1cc(C[N@@H+]2CC[C@H](C[NH+](C)C)C2)ccc1OC ZINC000179639065 199068850 /nfs/dbraw/zinc/06/88/50/199068850.db2.gz QRUZXAOWAXVSON-QGZVFWFLSA-N 2 2 318.461 3.034 20 30 DGEDLP C=C(C)COc1cc(C[N@H+]2CC[C@H](C[NH+](C)C)C2)ccc1OC ZINC000179639065 199068852 /nfs/dbraw/zinc/06/88/52/199068852.db2.gz QRUZXAOWAXVSON-QGZVFWFLSA-N 2 2 318.461 3.034 20 30 DGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]Cc3ccc(O)cc3)CC2)cc1 ZINC000271813905 209237540 /nfs/dbraw/zinc/23/75/40/209237540.db2.gz BDEJGPXSBUESGI-UHFFFAOYSA-N 2 2 321.424 3.018 20 30 DGEDLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+]Cc1ccc(C#N)cc1 ZINC000246266897 432113720 /nfs/dbraw/zinc/11/37/20/432113720.db2.gz ROSXRZYBYAGFMO-OXQOHEQNSA-N 2 2 305.425 3.168 20 30 DGEDLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+]Cc1ccc(C#N)cc1 ZINC000246266897 432113723 /nfs/dbraw/zinc/11/37/23/432113723.db2.gz ROSXRZYBYAGFMO-OXQOHEQNSA-N 2 2 305.425 3.168 20 30 DGEDLP C=CCC[C@@H](O)C[N@H+]1CCC[C@@H]1Cn1c(C)[nH+]c2ccccc21 ZINC000270092326 208150060 /nfs/dbraw/zinc/15/00/60/208150060.db2.gz AUYQTSQMTJVDRE-IAGOWNOFSA-N 2 2 313.445 3.136 20 30 DGEDLP C=CCC[C@@H](O)C[N@@H+]1CCC[C@@H]1Cn1c(C)[nH+]c2ccccc21 ZINC000270092326 208150068 /nfs/dbraw/zinc/15/00/68/208150068.db2.gz AUYQTSQMTJVDRE-IAGOWNOFSA-N 2 2 313.445 3.136 20 30 DGEDLP C[C@@H]([NH2+]CCc1cn2ccccc2[nH+]1)c1ccc(OCC#N)cc1 ZINC000181456677 533406016 /nfs/dbraw/zinc/40/60/16/533406016.db2.gz GOPMDHQDSAJBMW-OAHLLOKOSA-N 2 2 320.396 3.130 20 30 DGEDLP C=CCCSCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000595060590 400095320 /nfs/dbraw/zinc/09/53/20/400095320.db2.gz WAQSFXIJAVHSAN-SJLPKXTDSA-N 2 2 319.518 3.191 20 30 DGEDLP C=CCCSCC[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000595060590 400095323 /nfs/dbraw/zinc/09/53/23/400095323.db2.gz WAQSFXIJAVHSAN-SJLPKXTDSA-N 2 2 319.518 3.191 20 30 DGEDLP C=CCCOCC[NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000090884019 400081558 /nfs/dbraw/zinc/08/15/58/400081558.db2.gz NFOPTJJLFQIJET-UHFFFAOYSA-N 2 2 322.880 3.487 20 30 DGEDLP C[C@@H](c1ccccc1)[NH+]1CCC([NH2+]C[C@@H](C#N)CCC#N)CC1 ZINC000609709227 400187311 /nfs/dbraw/zinc/18/73/11/400187311.db2.gz IIEDVELPKMCIKR-DLBZAZTESA-N 2 2 310.445 3.245 20 30 DGEDLP C[C@@]1(C#N)CC[N@H+](Cc2ccc(C[NH+]3CC[C@](C)(C#N)C3)cc2)C1 ZINC000595841924 400279275 /nfs/dbraw/zinc/27/92/75/400279275.db2.gz WUNZBDDDMVUYJD-BGYRXZFFSA-N 2 2 322.456 3.158 20 30 DGEDLP C[C@@]1(C#N)CC[N@@H+](Cc2ccc(C[NH+]3CC[C@](C)(C#N)C3)cc2)C1 ZINC000595841924 400279277 /nfs/dbraw/zinc/27/92/77/400279277.db2.gz WUNZBDDDMVUYJD-BGYRXZFFSA-N 2 2 322.456 3.158 20 30 DGEDLP C[C@@]1(C#N)CC[NH+](Cc2ccc(C[N@@H+]3CC[C@](C)(C#N)C3)cc2)C1 ZINC000595841924 400279282 /nfs/dbraw/zinc/27/92/82/400279282.db2.gz WUNZBDDDMVUYJD-BGYRXZFFSA-N 2 2 322.456 3.158 20 30 DGEDLP C[C@@]1(C#N)CC[NH+](Cc2ccc(C[N@H+]3CC[C@](C)(C#N)C3)cc2)C1 ZINC000595841924 400279285 /nfs/dbraw/zinc/27/92/85/400279285.db2.gz WUNZBDDDMVUYJD-BGYRXZFFSA-N 2 2 322.456 3.158 20 30 DGEDLP C[C@H](CCC#N)C[NH2+]C1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000589820782 400330256 /nfs/dbraw/zinc/33/02/56/400330256.db2.gz AYTPIACKCUULSW-HZPDHXFCSA-N 2 2 300.450 3.136 20 30 DGEDLP C[C@@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1)c1cccc(C#N)c1 ZINC000596650907 400472096 /nfs/dbraw/zinc/47/20/96/400472096.db2.gz SEQKYXOHWJJJLT-JSNMRZPZSA-N 2 2 323.415 3.494 20 30 DGEDLP C[C@@H](CC1(C#N)CCOCC1)[NH2+][C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000602707724 400546291 /nfs/dbraw/zinc/54/62/91/400546291.db2.gz ABXXWIMYIADILJ-IRXDYDNUSA-N 2 2 319.493 3.082 20 30 DGEDLP C[C@@H](CC1(C#N)CCOCC1)[NH2+][C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000602707724 400546292 /nfs/dbraw/zinc/54/62/92/400546292.db2.gz ABXXWIMYIADILJ-IRXDYDNUSA-N 2 2 319.493 3.082 20 30 DGEDLP Cc1cccc2[nH+]c(CC[NH2+][C@H](C)c3ccc(C#N)cc3)cn21 ZINC000592401872 400646324 /nfs/dbraw/zinc/64/63/24/400646324.db2.gz FADDGVUGDDYWEM-OAHLLOKOSA-N 2 2 304.397 3.408 20 30 DGEDLP N#Cc1cccc(C[NH+]2CCC([NH2+]Cc3ccc(F)cc3)CC2)c1 ZINC000593688392 400892427 /nfs/dbraw/zinc/89/24/27/400892427.db2.gz QGYSOMXBLUACSH-UHFFFAOYSA-N 2 2 323.415 3.452 20 30 DGEDLP Cc1ccncc1C[NH2+]C1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593693421 400893786 /nfs/dbraw/zinc/89/37/86/400893786.db2.gz YPVZBYDVWOJHBE-UHFFFAOYSA-N 2 2 320.440 3.016 20 30 DGEDLP Cc1cc(C[NH2+]C2CC[NH+](Cc3cccc(C#N)c3)CC2)ccn1 ZINC000598982268 400919766 /nfs/dbraw/zinc/91/97/66/400919766.db2.gz UBNOVJDXTQTVLX-UHFFFAOYSA-N 2 2 320.440 3.016 20 30 DGEDLP C[C@H]([NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12)c1ccc(C#N)c(F)c1 ZINC000594520902 401099816 /nfs/dbraw/zinc/09/98/16/401099816.db2.gz RFXZUJBMXNETDQ-MORSLUCNSA-N 2 2 301.409 3.365 20 30 DGEDLP C[C@H]([NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12)c1ccc(C#N)c(F)c1 ZINC000594520902 401099824 /nfs/dbraw/zinc/09/98/24/401099824.db2.gz RFXZUJBMXNETDQ-MORSLUCNSA-N 2 2 301.409 3.365 20 30 DGEDLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+]CCc1ccc(C#N)cc1 ZINC000594955318 401205923 /nfs/dbraw/zinc/20/59/23/401205923.db2.gz NAODXHVMMACDIY-DYESRHJHSA-N 2 2 319.452 3.211 20 30 DGEDLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+]CCc1ccc(C#N)cc1 ZINC000594955318 401205927 /nfs/dbraw/zinc/20/59/27/401205927.db2.gz NAODXHVMMACDIY-DYESRHJHSA-N 2 2 319.452 3.211 20 30 DGEDLP C[C@@H]1CC[N@H+](Cc2cn3ccccc3c2C#N)C[C@H]1n1cc[nH+]c1 ZINC000246660121 432151149 /nfs/dbraw/zinc/15/11/49/432151149.db2.gz DHBJDSMGZSOPHF-DNVCBOLYSA-N 2 2 319.412 3.091 20 30 DGEDLP C[C@@H]1CC[N@@H+](Cc2cn3ccccc3c2C#N)C[C@H]1n1cc[nH+]c1 ZINC000246660121 432151154 /nfs/dbraw/zinc/15/11/54/432151154.db2.gz DHBJDSMGZSOPHF-DNVCBOLYSA-N 2 2 319.412 3.091 20 30 DGEDLP C[C@@H]1CC[N@H+](CCCOc2cccc(C#N)c2)C[C@@H]1n1cc[nH+]c1 ZINC000129631350 196063089 /nfs/dbraw/zinc/06/30/89/196063089.db2.gz HFLMGRFKGLNZEO-APWZRJJASA-N 2 2 324.428 3.107 20 30 DGEDLP C[C@@H]1CC[N@@H+](CCCOc2cccc(C#N)c2)C[C@@H]1n1cc[nH+]c1 ZINC000129631350 196063090 /nfs/dbraw/zinc/06/30/90/196063090.db2.gz HFLMGRFKGLNZEO-APWZRJJASA-N 2 2 324.428 3.107 20 30 DGEDLP N#Cc1csc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1 ZINC000247291224 432220612 /nfs/dbraw/zinc/22/06/12/432220612.db2.gz ZDHNVVUTPMWOBQ-WMLDXEAASA-N 2 2 301.459 3.068 20 30 DGEDLP N#Cc1csc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000247291224 432220614 /nfs/dbraw/zinc/22/06/14/432220614.db2.gz ZDHNVVUTPMWOBQ-WMLDXEAASA-N 2 2 301.459 3.068 20 30 DGEDLP N#Cc1csc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000247291224 432220615 /nfs/dbraw/zinc/22/06/15/432220615.db2.gz ZDHNVVUTPMWOBQ-WMLDXEAASA-N 2 2 301.459 3.068 20 30 DGEDLP C[C@H]([NH2+]CCCNc1cccc[nH+]1)c1ccc(OCC#N)cc1 ZINC000181866950 228365211 /nfs/dbraw/zinc/36/52/11/228365211.db2.gz VIHHFPXETBRRLK-HNNXBMFYSA-N 2 2 310.401 3.137 20 30 DGEDLP CC[C@@H]([NH2+]C[C@H]1[NH2+]CCc2ccccc21)c1ccc(C#N)cc1 ZINC000423431364 280190230 /nfs/dbraw/zinc/19/02/30/280190230.db2.gz QLUGGBXFLDCUTO-WOJBJXKFSA-N 2 2 305.425 3.486 20 30 DGEDLP C[C@@H](C#N)Oc1ccc(C[NH+]2CCC(n3cc[nH+]c3)CC2)cc1 ZINC000092648557 431910832 /nfs/dbraw/zinc/91/08/32/431910832.db2.gz PLCJECLFQAWXMU-HNNXBMFYSA-N 2 2 310.401 3.011 20 30 DGEDLP C=CCOc1ccc(C[N@@H+](C)C2CC[NH+](CC)CC2)cc1OC ZINC000125247751 431918499 /nfs/dbraw/zinc/91/84/99/431918499.db2.gz GPTIJKTWWZVUFI-UHFFFAOYSA-N 2 2 318.461 3.176 20 30 DGEDLP C=CCOc1ccc(C[N@H+](C)C2CC[NH+](CC)CC2)cc1OC ZINC000125247751 431918502 /nfs/dbraw/zinc/91/85/02/431918502.db2.gz GPTIJKTWWZVUFI-UHFFFAOYSA-N 2 2 318.461 3.176 20 30 DGEDLP C#CCCOc1ccc(C[N@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000091960595 431906681 /nfs/dbraw/zinc/90/66/81/431906681.db2.gz KXQDDERELDYXHD-XLIONFOSSA-N 2 2 323.440 3.368 20 30 DGEDLP C#CCCOc1ccc(C[N@@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000091960595 431906683 /nfs/dbraw/zinc/90/66/83/431906683.db2.gz KXQDDERELDYXHD-XLIONFOSSA-N 2 2 323.440 3.368 20 30 DGEDLP Cc1cc(N2CC[NH+](C)CC2)ccc1[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000193072570 432445711 /nfs/dbraw/zinc/44/57/11/432445711.db2.gz RCQYKLRDMZPYDQ-IAGOWNOFSA-N 2 2 312.461 3.241 20 30 DGEDLP C=CCOc1ccc(C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)cc1Cl ZINC000261918872 432459623 /nfs/dbraw/zinc/45/96/23/432459623.db2.gz BKJAOQWZZNKFPL-KRWDZBQOSA-N 2 2 306.837 3.090 20 30 DGEDLP C=CCOc1ccc(C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)cc1Cl ZINC000261918872 432459625 /nfs/dbraw/zinc/45/96/25/432459625.db2.gz BKJAOQWZZNKFPL-KRWDZBQOSA-N 2 2 306.837 3.090 20 30 DGEDLP CC(C)c1cccc(NC(=[NH2+])NCCc2cn3ccccc3[nH+]2)c1 ZINC000264060777 432611292 /nfs/dbraw/zinc/61/12/92/432611292.db2.gz CSSSYYPBVPIKBG-UHFFFAOYSA-N 2 2 321.428 3.427 20 30 DGEDLP Cn1c(CCC[NH2+]Cc2ccc(C#N)s2)[nH+]c2ccccc21 ZINC000176972856 432571118 /nfs/dbraw/zinc/57/11/18/432571118.db2.gz ORPZVVFVRCIOFA-UHFFFAOYSA-N 2 2 310.426 3.229 20 30 DGEDLP Cc1ccc(NC(=[NH2+])NC[C@@H](c2ccsc2)[NH+](C)C)cc1C ZINC000264131838 432619113 /nfs/dbraw/zinc/61/91/13/432619113.db2.gz YDFIFDXAKGMGQQ-INIZCTEOSA-N 2 2 316.474 3.394 20 30 DGEDLP CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)[NH2+]CCCSCC#N ZINC000274843016 432714772 /nfs/dbraw/zinc/71/47/72/432714772.db2.gz MZNPVOGHMPNKJQ-GOSISDBHSA-N 2 2 319.518 3.379 20 30 DGEDLP CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)[NH2+]CCCSCC#N ZINC000274843016 432714774 /nfs/dbraw/zinc/71/47/74/432714774.db2.gz MZNPVOGHMPNKJQ-GOSISDBHSA-N 2 2 319.518 3.379 20 30 DGEDLP C[C@@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000187718685 432679504 /nfs/dbraw/zinc/67/95/04/432679504.db2.gz HQFIRUMFZAIZDP-DOTOQJQBSA-N 2 2 308.429 3.307 20 30 DGEDLP C[C@@H](c1cccc(C#N)c1)[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000187718685 432679509 /nfs/dbraw/zinc/67/95/09/432679509.db2.gz HQFIRUMFZAIZDP-DOTOQJQBSA-N 2 2 308.429 3.307 20 30 DGEDLP C[C@@H]1CCC[C@H](NC(=O)C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)[C@H]1C ZINC000329952918 432884263 /nfs/dbraw/zinc/88/42/63/432884263.db2.gz NLOUYRYWKZUVSC-UGUYLWEFSA-N 2 2 318.465 3.370 20 30 DGEDLP C[C@@H]1CCC[C@H](NC(=O)C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)[C@H]1C ZINC000329952918 432884266 /nfs/dbraw/zinc/88/42/66/432884266.db2.gz NLOUYRYWKZUVSC-UGUYLWEFSA-N 2 2 318.465 3.370 20 30 DGEDLP CCCC[N@H+](C)CC1CCN(c2cc(C)[nH+]cc2C#N)CC1 ZINC000425208017 433121568 /nfs/dbraw/zinc/12/15/68/433121568.db2.gz ODYDOKDSYIYYDZ-UHFFFAOYSA-N 2 2 300.450 3.210 20 30 DGEDLP CCCC[N@@H+](C)CC1CCN(c2cc(C)[nH+]cc2C#N)CC1 ZINC000425208017 433121577 /nfs/dbraw/zinc/12/15/77/433121577.db2.gz ODYDOKDSYIYYDZ-UHFFFAOYSA-N 2 2 300.450 3.210 20 30 DGEDLP C=CC[NH+](CC=C)[C@H](C[NH2+][C@@H]1CCC12CCOCC2)C(C)C ZINC000377117860 433846466 /nfs/dbraw/zinc/84/64/66/433846466.db2.gz AYQLFPBCDBHPCP-QZTJIDSGSA-N 2 2 306.494 3.234 20 30 DGEDLP C=C(C)C[N@@H+](CCn1cc[nH+]c1C)Cc1cnn(C(C)C)c1 ZINC000352958032 434066188 /nfs/dbraw/zinc/06/61/88/434066188.db2.gz XRMFHGBPHBOZHR-UHFFFAOYSA-N 2 2 301.438 3.047 20 30 DGEDLP C=C(C)C[N@H+](CCn1cc[nH+]c1C)Cc1cnn(C(C)C)c1 ZINC000352958032 434066200 /nfs/dbraw/zinc/06/62/00/434066200.db2.gz XRMFHGBPHBOZHR-UHFFFAOYSA-N 2 2 301.438 3.047 20 30 DGEDLP C[C@@H]([NH2+]CC[N@H+](C)Cc1ccccc1)c1ccc(C#N)c(F)c1 ZINC000346205803 434197246 /nfs/dbraw/zinc/19/72/46/434197246.db2.gz VQJAIZNIJIZJST-OAHLLOKOSA-N 2 2 311.404 3.480 20 30 DGEDLP C[C@@H]([NH2+]CC[N@@H+](C)Cc1ccccc1)c1ccc(C#N)c(F)c1 ZINC000346205803 434197257 /nfs/dbraw/zinc/19/72/57/434197257.db2.gz VQJAIZNIJIZJST-OAHLLOKOSA-N 2 2 311.404 3.480 20 30 DGEDLP CC[NH+]1CCC([N@H+](C)Cc2ccc(C#N)cc2OC(F)F)CC1 ZINC000437434035 434262557 /nfs/dbraw/zinc/26/25/57/434262557.db2.gz LCZSDQOFNYZYQT-UHFFFAOYSA-N 2 2 323.387 3.076 20 30 DGEDLP CC[NH+]1CCC([N@@H+](C)Cc2ccc(C#N)cc2OC(F)F)CC1 ZINC000437434035 434262569 /nfs/dbraw/zinc/26/25/69/434262569.db2.gz LCZSDQOFNYZYQT-UHFFFAOYSA-N 2 2 323.387 3.076 20 30 DGEDLP C=CC[NH+]1CCC([NH2+][C@@H](c2ncc[nH]2)C2CCCCC2)CC1 ZINC000286342014 434237728 /nfs/dbraw/zinc/23/77/28/434237728.db2.gz YIVPJDVRUSJRIJ-QGZVFWFLSA-N 2 2 302.466 3.271 20 30 DGEDLP C=CCC[C@H](Nc1ccc(N2CC[NH2+]CC2)c[nH+]1)c1ccco1 ZINC000423233420 434298619 /nfs/dbraw/zinc/29/86/19/434298619.db2.gz OHURPGFXTZVDTC-INIZCTEOSA-N 2 2 312.417 3.204 20 30 DGEDLP Cc1c[nH+]ccc1OC1CC[NH+](Cc2ccccc2C#N)CC1 ZINC000365834769 434311927 /nfs/dbraw/zinc/31/19/27/434311927.db2.gz STGZZCMGBZKCBC-UHFFFAOYSA-N 2 2 307.397 3.305 20 30 DGEDLP N#Cc1cccc(C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c1F ZINC000340868652 434402493 /nfs/dbraw/zinc/40/24/93/434402493.db2.gz JYMVCXCHFGQXQE-QGZVFWFLSA-N 2 2 301.409 3.148 20 30 DGEDLP N#Cc1cccc(C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c1F ZINC000340868652 434402502 /nfs/dbraw/zinc/40/25/02/434402502.db2.gz JYMVCXCHFGQXQE-QGZVFWFLSA-N 2 2 301.409 3.148 20 30 DGEDLP C=CCCC[N@@H+]1CC[C@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000451015998 434531676 /nfs/dbraw/zinc/53/16/76/434531676.db2.gz GTSKNWQOXWGQHZ-INIZCTEOSA-N 2 2 301.434 3.101 20 30 DGEDLP C=CCCC[N@H+]1CC[C@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000451015998 434531685 /nfs/dbraw/zinc/53/16/85/434531685.db2.gz GTSKNWQOXWGQHZ-INIZCTEOSA-N 2 2 301.434 3.101 20 30 DGEDLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+]CCc1cccc(C#N)c1 ZINC000466425296 435076494 /nfs/dbraw/zinc/07/64/94/435076494.db2.gz MIRBKYXYXYOKTF-DYESRHJHSA-N 2 2 319.452 3.211 20 30 DGEDLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+]CCc1cccc(C#N)c1 ZINC000466425296 435076498 /nfs/dbraw/zinc/07/64/98/435076498.db2.gz MIRBKYXYXYOKTF-DYESRHJHSA-N 2 2 319.452 3.211 20 30 DGEDLP C=CC[NH+]1CCC([NH2+]Cc2cc3cc(Cl)cnc3o2)CC1 ZINC000648445534 435302134 /nfs/dbraw/zinc/30/21/34/435302134.db2.gz SQFCEDQCMAZRBN-UHFFFAOYSA-N 2 2 305.809 3.221 20 30 DGEDLP C=CCC[C@@H](Nc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1)C1CC1 ZINC000540759432 435615558 /nfs/dbraw/zinc/61/55/58/435615558.db2.gz VUYZOFVIIHFEJI-ZWKOTPCHSA-N 2 2 314.477 3.379 20 30 DGEDLP C=CCOc1cccc(C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)c1 ZINC000655857570 435849356 /nfs/dbraw/zinc/84/93/56/435849356.db2.gz WCKVWTVUXPAMRD-RTBURBONSA-N 2 2 300.446 3.358 20 30 DGEDLP C=CCOc1cccc(C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)c1 ZINC000655857570 435849370 /nfs/dbraw/zinc/84/93/70/435849370.db2.gz WCKVWTVUXPAMRD-RTBURBONSA-N 2 2 300.446 3.358 20 30 DGEDLP C=C[C@H]1CCCC[N@H+]1C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000489490826 534695956 /nfs/dbraw/zinc/69/59/56/534695956.db2.gz OHAIDBWUKCYZFK-IRXDYDNUSA-N 2 2 313.445 3.055 20 30 DGEDLP C=C[C@H]1CCCC[N@@H+]1C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000489490826 534695961 /nfs/dbraw/zinc/69/59/61/534695961.db2.gz OHAIDBWUKCYZFK-IRXDYDNUSA-N 2 2 313.445 3.055 20 30 DGEDLP N#C[C@H]1CCC[C@@H]([NH2+]C2CC[NH+](Cc3ccc(F)cc3)CC2)C1 ZINC000185786944 534748043 /nfs/dbraw/zinc/74/80/43/534748043.db2.gz SBOZLVJPEAISLY-QFBILLFUSA-N 2 2 315.436 3.462 20 30 DGEDLP C=C(C)C[N@@H+](CC[C@@H]1CCC[NH+]1C)Cc1cnn(C(C)C)c1 ZINC000352905025 526553477 /nfs/dbraw/zinc/55/34/77/526553477.db2.gz XKWZXUOGIIJKNT-SFHVURJKSA-N 2 2 304.482 3.326 20 30 DGEDLP C=C(C)C[N@H+](CC[C@@H]1CCC[NH+]1C)Cc1cnn(C(C)C)c1 ZINC000352905025 526553485 /nfs/dbraw/zinc/55/34/85/526553485.db2.gz XKWZXUOGIIJKNT-SFHVURJKSA-N 2 2 304.482 3.326 20 30 DGEDLP C=C(C)C[NH+](CC[C@@H]1CCC[N@@H+]1C)Cc1cnn(C(C)C)c1 ZINC000352905025 526553490 /nfs/dbraw/zinc/55/34/90/526553490.db2.gz XKWZXUOGIIJKNT-SFHVURJKSA-N 2 2 304.482 3.326 20 30 DGEDLP C=C(C)C[NH+](CC[C@@H]1CCC[N@H+]1C)Cc1cnn(C(C)C)c1 ZINC000352905025 526553496 /nfs/dbraw/zinc/55/34/96/526553496.db2.gz XKWZXUOGIIJKNT-SFHVURJKSA-N 2 2 304.482 3.326 20 30 DGEDLP C=CCC[C@H]([NH2+]C[C@H]1C[N@H+](CC(C)C)CCO1)c1ccco1 ZINC000353445023 527485663 /nfs/dbraw/zinc/48/56/63/527485663.db2.gz WBISJSPOVPXDDC-IRXDYDNUSA-N 2 2 306.450 3.233 20 30 DGEDLP C=CCC[C@H]([NH2+]C[C@H]1C[N@@H+](CC(C)C)CCO1)c1ccco1 ZINC000353445023 527485667 /nfs/dbraw/zinc/48/56/67/527485667.db2.gz WBISJSPOVPXDDC-IRXDYDNUSA-N 2 2 306.450 3.233 20 30 DGEDLP CCC[N@@H+]1CC[C@H](CNC(=O)Nc2c(C)cc(C)[nH+]c2C)C1 ZINC000331349269 528256694 /nfs/dbraw/zinc/25/66/94/528256694.db2.gz XSKFTSCJOWDKPH-OAHLLOKOSA-N 2 2 304.438 3.065 20 30 DGEDLP CCC[N@H+]1CC[C@H](CNC(=O)Nc2c(C)cc(C)[nH+]c2C)C1 ZINC000331349269 528256702 /nfs/dbraw/zinc/25/67/02/528256702.db2.gz XSKFTSCJOWDKPH-OAHLLOKOSA-N 2 2 304.438 3.065 20 30 DGEDLP C#CCOc1ccc(C[NH2+][C@@H](Cn2cc[nH+]c2)C(C)(C)C)cc1 ZINC000733324924 574615883 /nfs/dbraw/zinc/61/58/83/574615883.db2.gz LHKDUXMNCSWOPO-SFHVURJKSA-N 2 2 311.429 3.100 20 30 DGEDLP CCN(CC)c1ccc(C=[NH+]NCC[NH+]2CCCCC2)cc1F ZINC000739411899 575913843 /nfs/dbraw/zinc/91/38/43/575913843.db2.gz RLWFLCBWUITWFU-UHFFFAOYSA-N 2 2 320.456 3.081 20 30 DGEDLP C#CCCCOc1ccc[nH+]c1N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000853411633 620693780 /nfs/dbraw/zinc/69/37/80/620693780.db2.gz PMIXZCADLDQRCY-HZPDHXFCSA-N 2 2 301.434 3.159 20 30 DGEDLP N#Cc1c(F)cccc1CN(c1cccc[nH+]1)[C@H]1CC[C@H]([NH3+])CC1 ZINC000895111404 618539864 /nfs/dbraw/zinc/53/98/64/618539864.db2.gz DPZFEVDWWLAVPO-WKILWMFISA-N 2 2 324.403 3.369 20 30 DGEDLP Cc1cc(N2CC[NH+](C)CC2)ccc1[NH2+][C@@H](C)CC(C)(C)C#N ZINC000925711710 618544032 /nfs/dbraw/zinc/54/40/32/618544032.db2.gz VMLXSKLJCVFZNQ-INIZCTEOSA-N 2 2 314.477 3.487 20 30 DGEDLP CC[C@@H]([NH2+]Cc1ccc(SC)c(C#N)c1)[C@H]1CCCC[NH2+]1 ZINC000925773966 618615083 /nfs/dbraw/zinc/61/50/83/618615083.db2.gz QSBQGGIYVVHPLE-HZPDHXFCSA-N 2 2 303.475 3.290 20 30 DGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@@H]3C[C@@H]4CCC[C@@H]34)CC2)cc1 ZINC000897955386 619198661 /nfs/dbraw/zinc/19/86/61/619198661.db2.gz UCUAHYRYTHKTHI-DFQSSKMNSA-N 2 2 309.457 3.301 20 30 DGEDLP C=CCOc1cccc(C[NH+]2CCC([NH2+]C3CCC3)CC2)c1 ZINC000897984553 619203035 /nfs/dbraw/zinc/20/30/35/619203035.db2.gz AHIWHOYVHPPEJI-UHFFFAOYSA-N 2 2 300.446 3.358 20 30 DGEDLP C#CC[N@@H+](C)CCC[NH2+][C@H](C)c1csc(-c2ccccc2)n1 ZINC000840753953 620604810 /nfs/dbraw/zinc/60/48/10/620604810.db2.gz ATBCEHZAVBNCGO-OAHLLOKOSA-N 2 2 313.470 3.416 20 30 DGEDLP C#CC[N@H+](C)CCC[NH2+][C@H](C)c1csc(-c2ccccc2)n1 ZINC000840753953 620604811 /nfs/dbraw/zinc/60/48/11/620604811.db2.gz ATBCEHZAVBNCGO-OAHLLOKOSA-N 2 2 313.470 3.416 20 30 DGEDLP N#Cc1cc(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)cs1 ZINC000921471706 620858770 /nfs/dbraw/zinc/85/87/70/620858770.db2.gz MKTYATVPANLURM-UHFFFAOYSA-N 2 2 311.454 3.374 20 30 DGEDLP C=CC[NH+]1CCC([NH2+][C@@H]2C[C@@H](C)c3c2c(O)ccc3F)CC1 ZINC000756556395 621648681 /nfs/dbraw/zinc/64/86/81/621648681.db2.gz OKGXBKSSCASUPV-IUODEOHRSA-N 2 2 304.409 3.320 20 30 DGEDLP CC[NH+]1CCC(CC[NH2+][C@H](C)c2cccc(C#N)c2O)CC1 ZINC000866273086 622082533 /nfs/dbraw/zinc/08/25/33/622082533.db2.gz CPQUYCOJWWUUPZ-CQSZACIVSA-N 2 2 301.434 3.036 20 30 DGEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)c2cnn(-c3ccccc3)c2C)CC1 ZINC000765833179 622290239 /nfs/dbraw/zinc/29/02/39/622290239.db2.gz KZMYKSVZWXANLU-INIZCTEOSA-N 2 2 324.472 3.482 20 30 DGEDLP C[NH+]1CCN(c2ccc(C=[NH+]Nc3cccc(F)c3)cc2)CC1 ZINC000771564482 622776516 /nfs/dbraw/zinc/77/65/16/622776516.db2.gz SLJGPAMSYMBBHY-UHFFFAOYSA-N 2 2 312.392 3.024 20 30 DGEDLP CC[NH+]1CCN(c2ccc([NH2+][C@@H]3CCC[C@H](C#N)C3)cc2)CC1 ZINC000774270319 623126551 /nfs/dbraw/zinc/12/65/51/623126551.db2.gz DIVOYHCJWZBRFP-FUHWJXTLSA-N 2 2 312.461 3.323 20 30 DGEDLP C[C@@H](Cc1ccco1)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000776153825 623383792 /nfs/dbraw/zinc/38/37/92/623383792.db2.gz FNZKDVWHPYEMNC-INIZCTEOSA-N 2 2 323.440 3.336 20 30 DGEDLP C#CCOc1cccc(Cl)c1C[NH2+]C[C@H]1CCC[N@@H+](CC)C1 ZINC000778162541 623618722 /nfs/dbraw/zinc/61/87/22/623618722.db2.gz URFXSAMOFBRWKO-OAHLLOKOSA-N 2 2 320.864 3.174 20 30 DGEDLP C#CCOc1cccc(Cl)c1C[NH2+]C[C@H]1CCC[N@H+](CC)C1 ZINC000778162541 623618726 /nfs/dbraw/zinc/61/87/26/623618726.db2.gz URFXSAMOFBRWKO-OAHLLOKOSA-N 2 2 320.864 3.174 20 30 DGEDLP CC[NH+]1CCN(c2ccc([NH2+]C3CCC(C#N)CC3)cc2)CC1 ZINC000876820406 623716865 /nfs/dbraw/zinc/71/68/65/623716865.db2.gz MPHGTBBAHANSFS-UHFFFAOYSA-N 2 2 312.461 3.323 20 30 DGEDLP CC[NH+]1CCN(c2ccc([NH2+]C[C@@H](C)CCC#N)cc2)CC1 ZINC000876820902 623717627 /nfs/dbraw/zinc/71/76/27/623717627.db2.gz VLIPUILOUYFHIM-INIZCTEOSA-N 2 2 300.450 3.180 20 30 DGEDLP C[C@@H](CC1(C#N)CCOCC1)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000876990647 623761580 /nfs/dbraw/zinc/76/15/80/623761580.db2.gz KWXHFZKDBHVVPB-INIZCTEOSA-N 2 2 324.428 3.061 20 30 DGEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)CCOCc2ccccc2)CC1 ZINC000877009532 623765058 /nfs/dbraw/zinc/76/50/58/623765058.db2.gz PUJTWWJPMLVAHS-KRWDZBQOSA-N 2 2 302.462 3.222 20 30 DGEDLP C[NH+](C)Cc1ccc(C(N)=[NH+]OCCCc2ccsc2)cc1 ZINC000782947224 624293266 /nfs/dbraw/zinc/29/32/66/624293266.db2.gz GIBNJLGIULTWKT-UHFFFAOYSA-N 2 2 317.458 3.079 20 30 DGEDLP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]Cc2ccc(C#N)cn2)CC1 ZINC000783300109 624335958 /nfs/dbraw/zinc/33/59/58/624335958.db2.gz IGOOLLMFKCMSGS-BEFAXECRSA-N 2 2 312.461 3.086 20 30 DGEDLP C[C@@H](CC(C)(C)C#N)[NH2+][C@@H]1CCc2[nH+]c(C(C)(C)C)cn2C1 ZINC000924891378 627690866 /nfs/dbraw/zinc/69/08/66/627690866.db2.gz ZPWMRMBUGADBNG-UONOGXRCSA-N 2 2 302.466 3.413 20 30 DGEDLP N#Cc1ccc(F)c(C[NH2+][C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)c1 ZINC000925814698 627799287 /nfs/dbraw/zinc/79/92/87/627799287.db2.gz ONRNEHWWDQXZFB-IEBWSBKVSA-N 2 2 309.388 3.280 20 30 DGEDLP CC[C@@H]([NH2+]CC[C@H]1CCC[N@H+](C)C1)c1cccc(C#N)c1O ZINC000926573258 627916404 /nfs/dbraw/zinc/91/64/04/627916404.db2.gz KNWXIVMQOIUNOZ-RHSMWYFYSA-N 2 2 301.434 3.036 20 30 DGEDLP CC[C@@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1cccc(C#N)c1O ZINC000926573258 627916408 /nfs/dbraw/zinc/91/64/08/627916408.db2.gz KNWXIVMQOIUNOZ-RHSMWYFYSA-N 2 2 301.434 3.036 20 30 DGEDLP CC[C@@H](C#N)Oc1cccc(C[NH2+][C@@H](C)c2c[nH+]ccc2N)c1 ZINC000817917945 627961303 /nfs/dbraw/zinc/96/13/03/627961303.db2.gz JKRRTZBRIXXYRN-ZFWWWQNUSA-N 2 2 310.401 3.026 20 30 DGEDLP CC[NH+](CC)[C@H](C[NH+]=C(N(C)C)N(C)C)c1ccccc1Cl ZINC000303786474 657563740 /nfs/dbraw/zinc/56/37/40/657563740.db2.gz RKXXBCQNLPCULW-MRXNPFEDSA-N 2 2 324.900 3.202 20 30 DGEDLP CCc1cccc(NC(=[NH2+])NC[C@H](c2ccccc2)[NH+](C)C)c1 ZINC000303700592 657691789 /nfs/dbraw/zinc/69/17/89/657691789.db2.gz HPPHLDNVKDZOKW-GOSISDBHSA-N 2 2 310.445 3.279 20 30 DGEDLP C=C(C)COc1cc(C[NH2+]CCCn2cc[nH+]c2)ccc1OC ZINC000057958742 659039159 /nfs/dbraw/zinc/03/91/59/659039159.db2.gz LFYVQPJAOOADJH-UHFFFAOYSA-N 2 2 315.417 3.027 20 30 DGEDLP Cc1ccc(C[NH2+][C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)cc1C#N ZINC001579696931 1191987952 /nfs/dbraw/zinc/98/79/52/1191987952.db2.gz NPDZICSHBIWUJR-WOJBJXKFSA-N 2 2 323.415 3.241 20 30 DGEDLP Cc1cccc(NC[C@@H]2CCC[N@@H+]2CC#Cc2ccccc2)[nH+]1 ZINC001334097672 1178719504 /nfs/dbraw/zinc/71/95/04/1178719504.db2.gz OQAGTFKYKNEKHC-IBGZPJMESA-N 2 2 305.425 3.318 20 30 DGEDLP Cc1cccc(NC[C@@H]2CCC[N@H+]2CC#Cc2ccccc2)[nH+]1 ZINC001334097672 1178719514 /nfs/dbraw/zinc/71/95/14/1178719514.db2.gz OQAGTFKYKNEKHC-IBGZPJMESA-N 2 2 305.425 3.318 20 30 DGEDLP Cc1cccc(NC[C@@H]2CCC[N@@H+]2Cc2cc(C#N)cs2)[nH+]1 ZINC001341567151 1179029554 /nfs/dbraw/zinc/02/95/54/1179029554.db2.gz CUPYGHKDONPUEB-HNNXBMFYSA-N 2 2 312.442 3.400 20 30 DGEDLP C=CCCC[NH2+]C1CC(CNC(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001100522416 1180758573 /nfs/dbraw/zinc/75/85/73/1180758573.db2.gz LWWIQJGGSSKCEL-UHFFFAOYSA-N 2 2 315.461 3.071 20 30 DGEDLP C=CCC[C@H](C)[N@H+](C)CCN(C)C(=O)c1c(C)cc(C)[nH+]c1C ZINC001496749720 1185241297 /nfs/dbraw/zinc/24/12/97/1185241297.db2.gz RTHUWGWQEFXTFF-INIZCTEOSA-N 2 2 317.477 3.365 20 30 DGEDLP C=CCC[C@H](C)[N@@H+](C)CCN(C)C(=O)c1c(C)cc(C)[nH+]c1C ZINC001496749720 1185241302 /nfs/dbraw/zinc/24/13/02/1185241302.db2.gz RTHUWGWQEFXTFF-INIZCTEOSA-N 2 2 317.477 3.365 20 30 DGEDLP C=C(C)CC[NH2+]C[C@H]1CCCN1C(=O)c1c(C)cc(C)[nH+]c1C ZINC001568143264 1190434393 /nfs/dbraw/zinc/43/43/93/1190434393.db2.gz VQXCWUALFXFNSZ-QGZVFWFLSA-N 2 2 315.461 3.167 20 30 DGEDLP C=CCC[C@@H](C)[NH2+][C@@H](C)CCNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001674217477 1197747753 /nfs/dbraw/zinc/74/77/53/1197747753.db2.gz ZRGQDYFIPQDVGG-CABCVRRESA-N 2 2 317.477 3.460 20 30 DGEDLP C=C(C)C[NH2+][C@@H](C)[C@@H]1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001754796622 1200493757 /nfs/dbraw/zinc/49/37/57/1200493757.db2.gz DWGWHIAEHCXNJF-DOTOQJQBSA-N 2 2 315.461 3.023 20 30 DGEDLP CC(C)[C@H](C[NH2+]C1CC(C#N)(c2ccccc2)C1)[NH+]1CCCC1 ZINC000236672155 1202618659 /nfs/dbraw/zinc/61/86/59/1202618659.db2.gz XEOWYPCVEMXEHS-GPJFCIFZSA-N 2 2 311.473 3.320 20 30 DGEDLP C=C(C)CC[NH2+][C@H](C)CCNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001713412829 1202647101 /nfs/dbraw/zinc/64/71/01/1202647101.db2.gz CTCZNILOFRJPTO-CQSZACIVSA-N 2 2 303.450 3.071 20 30 DGEDLP C=CCC[C@@H](C)[NH2+]C[C@H](C)CNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001714415875 1202919709 /nfs/dbraw/zinc/91/97/09/1202919709.db2.gz MLIYRQSVMALVML-DZGCQCFKSA-N 2 2 317.477 3.317 20 30 DGEDLP C=C(C)CC[NH2+][C@H](CNC(=O)c1c(C)cc(C)[nH+]c1C)C1CC1 ZINC001731402883 1204398219 /nfs/dbraw/zinc/39/82/19/1204398219.db2.gz WDOLJEIKWVKRSQ-QGZVFWFLSA-N 2 2 315.461 3.071 20 30 DGEDLP N#Cc1ccc2cc[nH+]c(N3CC4(C3)CC[N@H+](CC3CC3)C4)c2c1 ZINC001164771989 721285937 /nfs/dbraw/zinc/28/59/37/721285937.db2.gz CAJOPPYSOOZNJC-UHFFFAOYSA-N 2 2 318.424 3.029 20 30 DGEDLP N#Cc1ccc2cc[nH+]c(N3CC4(C3)CC[N@@H+](CC3CC3)C4)c2c1 ZINC001164771989 721285945 /nfs/dbraw/zinc/28/59/45/721285945.db2.gz CAJOPPYSOOZNJC-UHFFFAOYSA-N 2 2 318.424 3.029 20 30 DGEDLP N#CC1(c2ccccc2)CCC([NH2+]CCOc2cc[nH+]cc2)CC1 ZINC001170377277 1082362017 /nfs/dbraw/zinc/36/20/17/1082362017.db2.gz YKRMYPPJPAUKOW-UHFFFAOYSA-N 2 2 321.424 3.454 20 30 DGEDLP C=CC[NH2+][C@H](C)[C@H]1CCCN(C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001268174180 1084284628 /nfs/dbraw/zinc/28/46/28/1084284628.db2.gz PXEOOIGVAJHRPQ-WBVHZDCISA-N 2 2 315.461 3.023 20 30 DGEDLP C=CCC[C@@H](C)[NH2+]C[C@H](C)NC(=O)c1c(C)cc(C)[nH+]c1C ZINC001268696617 1084951829 /nfs/dbraw/zinc/95/18/29/1084951829.db2.gz RUJGINJXNFWERH-HIFRSBDPSA-N 2 2 303.450 3.069 20 30 DGEDLP C[C@@H](C[NH3+])CN(Cc1ccccc1)c1[nH+]ccc2[nH]cc(C#N)c21 ZINC001160666502 1088910631 /nfs/dbraw/zinc/91/06/31/1088910631.db2.gz YSOBCXWSEFDCBF-AWEZNQCLSA-N 2 2 319.412 3.036 20 30 DGEDLP CCCCCCC[NH2+]CCCNC(=O)c1cccc2[nH+]ccn21 ZINC001162433095 1089734577 /nfs/dbraw/zinc/73/45/77/1089734577.db2.gz QYERYIRVLITLBS-UHFFFAOYSA-N 2 2 316.449 3.014 20 30 DGEDLP C#CCOc1ccc(C[NH+]2CCC(C)([NH+]3CCCC3)CC2)cc1 ZINC001138559703 1091228533 /nfs/dbraw/zinc/22/85/33/1091228533.db2.gz AKGKOWPCBOPKPV-UHFFFAOYSA-N 2 2 312.457 3.149 20 30 DGEDLP CC[NH+](CC)C1CC[NH+](Cc2c[nH]c3ccc(C#N)cc23)CC1 ZINC001140113640 1091772702 /nfs/dbraw/zinc/77/27/02/1091772702.db2.gz BDRPKTOZTYNVOA-UHFFFAOYSA-N 2 2 310.445 3.346 20 30 DGEDLP C[N@H+](Cc1cccc(C#N)c1)Cc1cccc(-n2cc[nH+]c2)c1 ZINC001141243534 1092190033 /nfs/dbraw/zinc/19/00/33/1092190033.db2.gz LRBNCFXBRJKNCA-UHFFFAOYSA-N 2 2 302.381 3.376 20 30 DGEDLP C[N@@H+](Cc1cccc(C#N)c1)Cc1cccc(-n2cc[nH+]c2)c1 ZINC001141243534 1092190035 /nfs/dbraw/zinc/19/00/35/1092190035.db2.gz LRBNCFXBRJKNCA-UHFFFAOYSA-N 2 2 302.381 3.376 20 30 DGEDLP C=CCCCC[N@@H+]1CCn2cc(C[NH+]3CCCCC3)nc2C1 ZINC001209203584 1092693263 /nfs/dbraw/zinc/69/32/63/1092693263.db2.gz PNLKEDOSCCCJHM-UHFFFAOYSA-N 2 2 302.466 3.041 20 30 DGEDLP C=CCCCC[N@H+]1CCn2cc(C[NH+]3CCCCC3)nc2C1 ZINC001209203584 1092693269 /nfs/dbraw/zinc/69/32/69/1092693269.db2.gz PNLKEDOSCCCJHM-UHFFFAOYSA-N 2 2 302.466 3.041 20 30 DGEDLP C[C@H](Cc1cccc(C#N)c1)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001171178598 1095651698 /nfs/dbraw/zinc/65/16/98/1095651698.db2.gz HUNKPTSHTLZJFK-MRXNPFEDSA-N 2 2 316.408 3.465 20 30 DGEDLP C[C@H](Cc1cccc(C#N)c1)N(c1cccc[nH+]1)C1CC[NH2+]CC1 ZINC001171232136 1095868225 /nfs/dbraw/zinc/86/82/25/1095868225.db2.gz PRMOJCIIVIELSL-MRXNPFEDSA-N 2 2 320.440 3.143 20 30 DGEDLP COc1cc(C[N@@H+]2CCC[C@H](C#N)CC2)ccc1-n1cc[nH+]c1 ZINC001234068215 1098489293 /nfs/dbraw/zinc/48/92/93/1098489293.db2.gz YWHJRTHXNHNLRG-HNNXBMFYSA-N 2 2 310.401 3.007 20 30 DGEDLP COc1cc(C[N@H+]2CCC[C@H](C#N)CC2)ccc1-n1cc[nH+]c1 ZINC001234068215 1098489295 /nfs/dbraw/zinc/48/92/95/1098489295.db2.gz YWHJRTHXNHNLRG-HNNXBMFYSA-N 2 2 310.401 3.007 20 30 DGEDLP N#Cc1ccc2c(C[N@@H+]3CCCC[C@@]34CCC[NH2+]C4)c[nH]c2c1 ZINC001235168749 1098850545 /nfs/dbraw/zinc/85/05/45/1098850545.db2.gz UAUGLGVBGHIWQT-IBGZPJMESA-N 2 2 308.429 3.148 20 30 DGEDLP N#Cc1ccc2c(C[N@H+]3CCCC[C@@]34CCC[NH2+]C4)c[nH]c2c1 ZINC001235168749 1098850554 /nfs/dbraw/zinc/85/05/54/1098850554.db2.gz UAUGLGVBGHIWQT-IBGZPJMESA-N 2 2 308.429 3.148 20 30 DGEDLP N#Cc1cc(C[N@H+]([C@H]2CC[NH2+]C2)C2CCCCC2)ccc1F ZINC001236652169 1099722832 /nfs/dbraw/zinc/72/28/32/1099722832.db2.gz LICZEZQZYAKZAT-KRWDZBQOSA-N 2 2 301.409 3.194 20 30 DGEDLP N#Cc1cc(C[N@@H+]([C@H]2CC[NH2+]C2)C2CCCCC2)ccc1F ZINC001236652169 1099722838 /nfs/dbraw/zinc/72/28/38/1099722838.db2.gz LICZEZQZYAKZAT-KRWDZBQOSA-N 2 2 301.409 3.194 20 30 DGEDLP SC1CC[NH+](Cc2ccc(-n3cc[nH+]c3)cc2Cl)CC1 ZINC001236918230 1099877899 /nfs/dbraw/zinc/87/78/99/1099877899.db2.gz ZMTXFHALILTFJA-UHFFFAOYSA-N 2 2 307.850 3.420 20 30 DGEDLP C#Cc1cccc(C[NH+]2CCC3(CC2)[NH2+]CCc2ccccc23)c1 ZINC001237289580 1100063496 /nfs/dbraw/zinc/06/34/96/1100063496.db2.gz QXYRMMITUXETSH-UHFFFAOYSA-N 2 2 316.448 3.305 20 30 DGEDLP N#Cc1cc(-c2ccc3[nH+]ccn3c2)ccc1OC1CC[NH2+]CC1 ZINC001240218768 1100899507 /nfs/dbraw/zinc/89/95/07/1100899507.db2.gz YEXWXNUGWHWVGG-UHFFFAOYSA-N 2 2 318.380 3.004 20 30 DGEDLP N#CC1(c2ccccc2-c2ccc3[nH+]ccn3c2)CC[NH2+]CC1 ZINC001240220972 1100900419 /nfs/dbraw/zinc/90/04/19/1100900419.db2.gz DDIWPTXROJUKNW-UHFFFAOYSA-N 2 2 302.381 3.146 20 30 DGEDLP CCc1cc(-c2ccccc2C[N@@H+]2CC[C@@H]([NH3+])C2)ccc1C#N ZINC001244954741 1103778561 /nfs/dbraw/zinc/77/85/61/1103778561.db2.gz CMACMJFGDXHXPG-LJQANCHMSA-N 2 2 305.425 3.321 20 30 DGEDLP CCc1cc(-c2ccccc2C[N@H+]2CC[C@@H]([NH3+])C2)ccc1C#N ZINC001244954741 1103778571 /nfs/dbraw/zinc/77/85/71/1103778571.db2.gz CMACMJFGDXHXPG-LJQANCHMSA-N 2 2 305.425 3.321 20 30 DGEDLP N#CC1(c2ccccc2)CC([NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)C1 ZINC001329115901 1104158902 /nfs/dbraw/zinc/15/89/02/1104158902.db2.gz ZLGVKLHFLSIIIO-NUVZVAJJSA-N 2 2 309.457 3.217 20 30 DGEDLP N#CC1(c2ccccc2)CC([NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)C1 ZINC001329115901 1104158904 /nfs/dbraw/zinc/15/89/04/1104158904.db2.gz ZLGVKLHFLSIIIO-NUVZVAJJSA-N 2 2 309.457 3.217 20 30 DGEDLP CCCCCCCC[C@@H](O)C[NH2+][C@H](C[NH3+])c1cccc(OC)c1 ZINC001246017838 1104352630 /nfs/dbraw/zinc/35/26/30/1104352630.db2.gz CWGBWXAYVQXPKB-IEBWSBKVSA-N 2 2 322.493 3.396 20 30 DGEDLP C=CCC[C@H](O)C[N@@H+](Cc1ccc(C)cc1F)C1CC[NH2+]CC1 ZINC001246054624 1104358931 /nfs/dbraw/zinc/35/89/31/1104358931.db2.gz GOWQCRWGZYCMGN-SFHVURJKSA-N 2 2 320.452 3.015 20 30 DGEDLP C=CCC[C@H](O)C[N@H+](Cc1ccc(C)cc1F)C1CC[NH2+]CC1 ZINC001246054624 1104358944 /nfs/dbraw/zinc/35/89/44/1104358944.db2.gz GOWQCRWGZYCMGN-SFHVURJKSA-N 2 2 320.452 3.015 20 30 DGEDLP N#Cc1cccc(CCC[NH+]2CC3(C2)CC[N@@H+](C2CCCC2)C3)c1 ZINC001274891053 1104535162 /nfs/dbraw/zinc/53/51/62/1104535162.db2.gz QEDYOYLNWMYUCU-UHFFFAOYSA-N 2 2 323.484 3.441 20 30 DGEDLP N#Cc1cccc(CCC[NH+]2CC3(C2)CC[N@H+](C2CCCC2)C3)c1 ZINC001274891053 1104535174 /nfs/dbraw/zinc/53/51/74/1104535174.db2.gz QEDYOYLNWMYUCU-UHFFFAOYSA-N 2 2 323.484 3.441 20 30 DGEDLP C=CCCCC[N@@H+]1CCC[C@]2(C[NH+](C3CCCC3)CCO2)C1 ZINC001274974554 1104564396 /nfs/dbraw/zinc/56/43/96/1104564396.db2.gz MWVJJLALRVMJPT-LJQANCHMSA-N 2 2 306.494 3.452 20 30 DGEDLP C=CCCCC[N@H+]1CCC[C@]2(C[NH+](C3CCCC3)CCO2)C1 ZINC001274974554 1104564399 /nfs/dbraw/zinc/56/43/99/1104564399.db2.gz MWVJJLALRVMJPT-LJQANCHMSA-N 2 2 306.494 3.452 20 30 DGEDLP C=CCCCC[NH+]1CCC[C@@]2(C1)C[N@@H+](C1CCCC1)CCO2 ZINC001274974554 1104564405 /nfs/dbraw/zinc/56/44/05/1104564405.db2.gz MWVJJLALRVMJPT-LJQANCHMSA-N 2 2 306.494 3.452 20 30 DGEDLP C=CCCCC[NH+]1CCC[C@@]2(C1)C[N@H+](C1CCCC1)CCO2 ZINC001274974554 1104564412 /nfs/dbraw/zinc/56/44/12/1104564412.db2.gz MWVJJLALRVMJPT-LJQANCHMSA-N 2 2 306.494 3.452 20 30 DGEDLP C[N@@H+]1CCC[C@]2(CCC[NH+](Cc3ccc(C#N)c(F)c3)C2)C1 ZINC001275327710 1104723858 /nfs/dbraw/zinc/72/38/58/1104723858.db2.gz YCSXJOGMWVHXQX-SFHVURJKSA-N 2 2 301.409 3.005 20 30 DGEDLP C[N@H+]1CCC[C@]2(CCC[NH+](Cc3ccc(C#N)c(F)c3)C2)C1 ZINC001275327710 1104723866 /nfs/dbraw/zinc/72/38/66/1104723866.db2.gz YCSXJOGMWVHXQX-SFHVURJKSA-N 2 2 301.409 3.005 20 30 DGEDLP C[NH+]1CCC[C@]2(CCC[N@H+](Cc3ccc(C#N)c(F)c3)C2)C1 ZINC001275327710 1104723876 /nfs/dbraw/zinc/72/38/76/1104723876.db2.gz YCSXJOGMWVHXQX-SFHVURJKSA-N 2 2 301.409 3.005 20 30 DGEDLP C[NH+]1CCC[C@]2(CCC[N@@H+](Cc3ccc(C#N)c(F)c3)C2)C1 ZINC001275327710 1104723881 /nfs/dbraw/zinc/72/38/81/1104723881.db2.gz YCSXJOGMWVHXQX-SFHVURJKSA-N 2 2 301.409 3.005 20 30 DGEDLP C[N@@H+]1CCC[C@@H]1C[NH2+]C1CCC(C#N)(c2ccc(F)cc2)CC1 ZINC001254346994 1106056908 /nfs/dbraw/zinc/05/69/08/1106056908.db2.gz WKRFXWOXNNXIFB-JLAWEPINSA-N 2 2 315.436 3.213 20 30 DGEDLP C[N@H+]1CCC[C@@H]1C[NH2+]C1CCC(C#N)(c2ccc(F)cc2)CC1 ZINC001254346994 1106056913 /nfs/dbraw/zinc/05/69/13/1106056913.db2.gz WKRFXWOXNNXIFB-JLAWEPINSA-N 2 2 315.436 3.213 20 30 DGEDLP Cc1ccc(F)cc1C[NH+]1CCC([NH2+][C@@H]2CC[C@@H](C#N)C2)CC1 ZINC001254649411 1106122360 /nfs/dbraw/zinc/12/23/60/1106122360.db2.gz PAUBVNALBLBOOU-DNVCBOLYSA-N 2 2 315.436 3.380 20 30 DGEDLP C[N@H+](Cc1ccccc1F)C1CC[NH+]([C@H]2CC[C@@H](C#N)C2)CC1 ZINC001254673751 1106131138 /nfs/dbraw/zinc/13/11/38/1106131138.db2.gz OGPCRHYQWITYTN-QAPCUYQASA-N 2 2 315.436 3.414 20 30 DGEDLP C[N@@H+](Cc1ccccc1F)C1CC[NH+]([C@H]2CC[C@@H](C#N)C2)CC1 ZINC001254673751 1106131140 /nfs/dbraw/zinc/13/11/40/1106131140.db2.gz OGPCRHYQWITYTN-QAPCUYQASA-N 2 2 315.436 3.414 20 30 DGEDLP C[C@H](C[NH2+]C1CC(C#N)(c2ccccc2)C1)[NH+]1CCC(C)CC1 ZINC001321623044 1107394995 /nfs/dbraw/zinc/39/49/95/1107394995.db2.gz SCZOVBMIWDHTEF-QHGAOEGBSA-N 2 2 311.473 3.320 20 30 DGEDLP Cc1cccc(NC[C@@H]2CCC[N@@H+]2Cc2ccc(C#N)cc2F)[nH+]1 ZINC001322862777 1107771055 /nfs/dbraw/zinc/77/10/55/1107771055.db2.gz RPGPIFOFJLENGU-KRWDZBQOSA-N 2 2 324.403 3.477 20 30 DGEDLP Cc1cccc(NC[C@@H]2CCC[N@H+]2Cc2ccc(C#N)cc2F)[nH+]1 ZINC001322862777 1107771070 /nfs/dbraw/zinc/77/10/70/1107771070.db2.gz RPGPIFOFJLENGU-KRWDZBQOSA-N 2 2 324.403 3.477 20 30 DGEDLP C=C(C)C[NH2+]C[C@@H]1CCCCN1C(=O)c1c(C)cc(C)[nH+]c1C ZINC001265678221 1108962206 /nfs/dbraw/zinc/96/22/06/1108962206.db2.gz WEGOVQZLTYYKQW-KRWDZBQOSA-N 2 2 315.461 3.167 20 30 DGEDLP N#Cc1ccc2c(c1)C[C@@H]([NH2+]Cc1cc(-n3cc[nH+]c3)cs1)C2 ZINC001308498434 1111434801 /nfs/dbraw/zinc/43/48/01/1111434801.db2.gz XAVHRIQXLBWYLC-INIZCTEOSA-N 2 2 320.421 3.062 20 30 DGEDLP CC[C@@H](CC#N)[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000184082831 529448164 /nfs/dbraw/zinc/44/81/64/529448164.db2.gz GSQWCSPTCSBEAZ-KRWDZBQOSA-N 2 2 303.425 3.114 20 30 DGEDLP N#Cc1cc(F)ccc1C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134868226 283098589 /nfs/dbraw/zinc/09/85/89/283098589.db2.gz UMBDTMHMOZEOST-DNVCBOLYSA-N 2 2 313.420 3.146 20 30 DGEDLP N#Cc1cc(F)ccc1C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134868226 283098596 /nfs/dbraw/zinc/09/85/96/283098596.db2.gz UMBDTMHMOZEOST-DNVCBOLYSA-N 2 2 313.420 3.146 20 30 DGEDLP N#Cc1cc(F)ccc1C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134868226 283098599 /nfs/dbraw/zinc/09/85/99/283098599.db2.gz UMBDTMHMOZEOST-DNVCBOLYSA-N 2 2 313.420 3.146 20 30 DGEDLP N#Cc1cc(F)ccc1C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134868226 283098604 /nfs/dbraw/zinc/09/86/04/283098604.db2.gz UMBDTMHMOZEOST-DNVCBOLYSA-N 2 2 313.420 3.146 20 30 DGEDLP C[C@@H]1C[C@H]([NH2+]CCSCc2ccccc2C#N)C[N@@H+]1C1CC1 ZINC000177822910 198784379 /nfs/dbraw/zinc/78/43/79/198784379.db2.gz FIVDNHRTTCVNDI-PBHICJAKSA-N 2 2 315.486 3.006 20 30 DGEDLP C[C@@H]1C[C@H]([NH2+]CCSCc2ccccc2C#N)C[N@H+]1C1CC1 ZINC000177822910 198784380 /nfs/dbraw/zinc/78/43/80/198784380.db2.gz FIVDNHRTTCVNDI-PBHICJAKSA-N 2 2 315.486 3.006 20 30 DGEDLP N#C[C@H]1CC[C@H]([NH2+]CC2([NH+]3CCSCC3)CCCCC2)C1 ZINC000442792732 239126041 /nfs/dbraw/zinc/12/60/41/239126041.db2.gz MZOXSBDXSGDOKU-HOTGVXAUSA-N 2 2 307.507 3.020 20 30 DGEDLP C=C(C)COCC[NH2+][C@@H]1C[C@@H](C)C[N@@H+](Cc2ccccc2)C1 ZINC000468509618 244048495 /nfs/dbraw/zinc/04/84/95/244048495.db2.gz HEJWTEKXLVRIEM-IEBWSBKVSA-N 2 2 302.462 3.079 20 30 DGEDLP C=C(C)COCC[NH2+][C@@H]1C[C@@H](C)C[N@H+](Cc2ccccc2)C1 ZINC000468509618 244048500 /nfs/dbraw/zinc/04/85/00/244048500.db2.gz HEJWTEKXLVRIEM-IEBWSBKVSA-N 2 2 302.462 3.079 20 30 DGEDLP C=CC[NH+](CC=C)[C@@H](C[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCC2)C(C)C ZINC000493897958 246093797 /nfs/dbraw/zinc/09/37/97/246093797.db2.gz SOXYGIBRMWDBDS-FCGDIQPGSA-N 2 2 318.505 3.232 20 30 DGEDLP C=CCOc1ccc(C[NH2+][C@H]2CCn3cc[nH+]c3C2)cc1Cl ZINC000494429937 246146792 /nfs/dbraw/zinc/14/67/92/246146792.db2.gz YGGABJHKDGMXTR-AWEZNQCLSA-N 2 2 317.820 3.206 20 30 DGEDLP Cc1ccc(C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)o1 ZINC000601153051 400249695 /nfs/dbraw/zinc/24/96/95/400249695.db2.gz URZMUZXXEZAOPX-UHFFFAOYSA-N 2 2 309.413 3.214 20 30 DGEDLP C[C@]1(C#N)CC[NH+](Cc2cccc(C[N@H+]3CC[C@](C)(C#N)C3)c2)C1 ZINC000595840498 400277952 /nfs/dbraw/zinc/27/79/52/400277952.db2.gz OPQJKVPVRJMUTH-WOJBJXKFSA-N 2 2 322.456 3.158 20 30 DGEDLP C[C@]1(C#N)CC[NH+](Cc2cccc(C[N@@H+]3CC[C@](C)(C#N)C3)c2)C1 ZINC000595840498 400277955 /nfs/dbraw/zinc/27/79/55/400277955.db2.gz OPQJKVPVRJMUTH-WOJBJXKFSA-N 2 2 322.456 3.158 20 30 DGEDLP N#Cc1ccc(C[N@@H+]2CCC[C@H]3C[NH2+]CC[C@@H]32)c(C(F)(F)F)c1 ZINC000601333879 400292398 /nfs/dbraw/zinc/29/23/98/400292398.db2.gz HMACXXCNBOGRPH-BBRMVZONSA-N 2 2 323.362 3.151 20 30 DGEDLP N#Cc1ccc(C[N@H+]2CCC[C@H]3C[NH2+]CC[C@@H]32)c(C(F)(F)F)c1 ZINC000601333879 400292404 /nfs/dbraw/zinc/29/24/04/400292404.db2.gz HMACXXCNBOGRPH-BBRMVZONSA-N 2 2 323.362 3.151 20 30 DGEDLP N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]CCc1cn2ccccc2[nH+]1 ZINC000611390600 400391337 /nfs/dbraw/zinc/39/13/37/400391337.db2.gz KGWXDMRTOSCSRY-IBGZPJMESA-N 2 2 316.408 3.416 20 30 DGEDLP C[C@@H](CC1(C#N)CCOCC1)[NH2+]Cc1ccccc1-n1cc[nH+]c1 ZINC000602520918 400486938 /nfs/dbraw/zinc/48/69/38/400486938.db2.gz LITPCOHOVIMPMX-INIZCTEOSA-N 2 2 324.428 3.061 20 30 DGEDLP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H](C#N)CCC#N ZINC000591766122 400554468 /nfs/dbraw/zinc/55/44/68/400554468.db2.gz CWZGXBQGFHKBLR-MOPGFXCFSA-N 2 2 324.472 3.320 20 30 DGEDLP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H](C#N)CCC#N ZINC000591766122 400554474 /nfs/dbraw/zinc/55/44/74/400554474.db2.gz CWZGXBQGFHKBLR-MOPGFXCFSA-N 2 2 324.472 3.320 20 30 DGEDLP Cc1ccc(C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)nc1 ZINC000603432113 400686676 /nfs/dbraw/zinc/68/66/76/400686676.db2.gz JFIKWPUANUFSKI-UHFFFAOYSA-N 2 2 320.440 3.016 20 30 DGEDLP N#Cc1cccc(C[NH+]2CCC([NH2+]C[C@@H]3CC=CCC3)CC2)c1 ZINC000593686928 400890844 /nfs/dbraw/zinc/89/08/44/400890844.db2.gz ASCHENZJHBTGTQ-QGZVFWFLSA-N 2 2 309.457 3.469 20 30 DGEDLP N#Cc1cccc(C[NH+]2CCC([NH2+]Cc3cccc(F)c3)CC2)c1 ZINC000593687488 400891353 /nfs/dbraw/zinc/89/13/53/400891353.db2.gz HEQODHRBAVPMIP-UHFFFAOYSA-N 2 2 323.415 3.452 20 30 DGEDLP CC[NH+](CC)[C@H](CNC(=[NH2+])Nc1ccccc1)c1ccsc1 ZINC000066242999 401297833 /nfs/dbraw/zinc/29/78/33/401297833.db2.gz LQUZSJBHDUQXJG-MRXNPFEDSA-N 2 2 316.474 3.367 20 30 DGEDLP Cn1cc(C[NH2+]C[C@]2(C)CCC[N@@H+]2Cc2ccccc2)cc1C#N ZINC000191617880 165261257 /nfs/dbraw/zinc/26/12/57/165261257.db2.gz CKSMYOGRLONFOC-FQEVSTJZSA-N 2 2 322.456 3.041 20 30 DGEDLP Cn1cc(C[NH2+]C[C@]2(C)CCC[N@H+]2Cc2ccccc2)cc1C#N ZINC000191617880 165261259 /nfs/dbraw/zinc/26/12/59/165261259.db2.gz CKSMYOGRLONFOC-FQEVSTJZSA-N 2 2 322.456 3.041 20 30 DGEDLP Cc1ccc(CCC[NH+]2CCN(c3ccccc3C#N)CC2)c[nH+]1 ZINC000353384502 165912932 /nfs/dbraw/zinc/91/29/32/165912932.db2.gz RZMZIZMIKLSCBD-UHFFFAOYSA-N 2 2 320.440 3.017 20 30 DGEDLP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+][C@@H]2CCC[C@H](C#N)C2)CC1 ZINC000185868814 287157913 /nfs/dbraw/zinc/15/79/13/287157913.db2.gz VVSCGOFPAFFVTG-TXPKVOOTSA-N 2 2 312.461 3.279 20 30 DGEDLP C[C@@H]([NH2+]C(C)(C)C[NH2+]Cc1cc(C#N)n(C)c1)c1ccccc1 ZINC000191046420 432213739 /nfs/dbraw/zinc/21/37/39/432213739.db2.gz LUYSAUWRMKCDSP-OAHLLOKOSA-N 2 2 310.445 3.116 20 30 DGEDLP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(C#N)cc2)C[N@@H+]1Cc1ccccc1 ZINC000176624914 228316379 /nfs/dbraw/zinc/31/63/79/228316379.db2.gz NIKXYGDOVDXYMN-OXQOHEQNSA-N 2 2 305.425 3.311 20 30 DGEDLP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(C#N)cc2)C[N@H+]1Cc1ccccc1 ZINC000176624914 228316381 /nfs/dbraw/zinc/31/63/81/228316381.db2.gz NIKXYGDOVDXYMN-OXQOHEQNSA-N 2 2 305.425 3.311 20 30 DGEDLP N#Cc1ccc(F)c(C[NH+]2CCC(Nc3cccc[nH+]3)CC2)c1 ZINC000534126620 270005217 /nfs/dbraw/zinc/00/52/17/270005217.db2.gz XEOXPEULWZUZFN-UHFFFAOYSA-N 2 2 310.376 3.169 20 30 DGEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2cnc([C@H]3CCCO3)s2)CC1 ZINC000270227003 432229548 /nfs/dbraw/zinc/22/95/48/432229548.db2.gz OAHIXFVXBVFZLS-MRXNPFEDSA-N 2 2 321.490 3.125 20 30 DGEDLP N#Cc1ccc(C[NH2+][C@H]2CCC[N@H+](Cc3ccccc3)C2)cc1F ZINC000403995687 268076135 /nfs/dbraw/zinc/07/61/35/268076135.db2.gz GEGHRHJJVFABRE-IBGZPJMESA-N 2 2 323.415 3.452 20 30 DGEDLP N#Cc1ccc(C[NH2+][C@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1F ZINC000403995687 268076138 /nfs/dbraw/zinc/07/61/38/268076138.db2.gz GEGHRHJJVFABRE-IBGZPJMESA-N 2 2 323.415 3.452 20 30 DGEDLP C=C(C)C[NH+]1CCC([NH2+][C@H](C)c2ccc(F)c(F)c2O)CC1 ZINC000187705734 277775717 /nfs/dbraw/zinc/77/57/17/277775717.db2.gz IYZLNUKIGKJHIJ-GFCCVEGCSA-N 2 2 310.388 3.362 20 30 DGEDLP N#Cc1cccc(C[NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)c1 ZINC000030901879 431746670 /nfs/dbraw/zinc/74/66/70/431746670.db2.gz WARWCNXCIMWMMK-UHFFFAOYSA-N 2 2 302.381 3.093 20 30 DGEDLP C=CCOc1ccc(C[N@H+]2CC[C@H](C[NH+](C)C)C2)cc1Cl ZINC000125457313 431925666 /nfs/dbraw/zinc/92/56/66/431925666.db2.gz ROUIVTPGDZVLEW-OAHLLOKOSA-N 2 2 308.853 3.288 20 30 DGEDLP C=CCOc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)C)C2)cc1Cl ZINC000125457313 431925669 /nfs/dbraw/zinc/92/56/69/431925669.db2.gz ROUIVTPGDZVLEW-OAHLLOKOSA-N 2 2 308.853 3.288 20 30 DGEDLP C[C@H]([NH2+]C1CC[NH+](Cc2ccccn2)CC1)c1ccc(C#N)cc1 ZINC000173950468 432310732 /nfs/dbraw/zinc/31/07/32/432310732.db2.gz JJMXKDRYXONNBZ-INIZCTEOSA-N 2 2 320.440 3.268 20 30 DGEDLP N#C[C@@H]1CCC[C@@H]([NH2+]CCc2[nH+]ccn2Cc2ccccc2)C1 ZINC000192647456 432396426 /nfs/dbraw/zinc/39/64/26/432396426.db2.gz MWOYISIPLUUPRW-QZTJIDSGSA-N 2 2 308.429 3.146 20 30 DGEDLP CCC[NH+]1CCC([N@H+](C)CC#Cc2cccc(Cl)c2)CC1 ZINC000154287131 432488444 /nfs/dbraw/zinc/48/84/44/432488444.db2.gz HPDCBWPCBAOVKW-UHFFFAOYSA-N 2 2 304.865 3.498 20 30 DGEDLP CCC[NH+]1CCC([N@@H+](C)CC#Cc2cccc(Cl)c2)CC1 ZINC000154287131 432488448 /nfs/dbraw/zinc/48/84/48/432488448.db2.gz HPDCBWPCBAOVKW-UHFFFAOYSA-N 2 2 304.865 3.498 20 30 DGEDLP N#Cc1csc(C[NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)c1 ZINC000177684404 432648849 /nfs/dbraw/zinc/64/88/49/432648849.db2.gz SJZOOGZFUPXQQO-UHFFFAOYSA-N 2 2 308.410 3.154 20 30 DGEDLP C[C@H]1C[C@H]([NH2+]CCSCc2ccccc2C#N)C[N@@H+]1C1CC1 ZINC000177822924 432665042 /nfs/dbraw/zinc/66/50/42/432665042.db2.gz FIVDNHRTTCVNDI-YOEHRIQHSA-N 2 2 315.486 3.006 20 30 DGEDLP C[C@H]1C[C@H]([NH2+]CCSCc2ccccc2C#N)C[N@H+]1C1CC1 ZINC000177822924 432665046 /nfs/dbraw/zinc/66/50/46/432665046.db2.gz FIVDNHRTTCVNDI-YOEHRIQHSA-N 2 2 315.486 3.006 20 30 DGEDLP C=C(Br)C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000278941265 432919960 /nfs/dbraw/zinc/91/99/60/432919960.db2.gz UNSVRIGGKMDMLE-UHFFFAOYSA-N 2 2 324.266 3.307 20 30 DGEDLP C=CC[NH+]1CCC([NH2+][C@@H](COC)c2cccc(Cl)c2)CC1 ZINC000289634149 432971105 /nfs/dbraw/zinc/97/11/05/432971105.db2.gz HLRSGDADAXRHHN-KRWDZBQOSA-N 2 2 308.853 3.268 20 30 DGEDLP Cn1cc[nH+]c1[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2C#N)C1 ZINC000373112202 433095327 /nfs/dbraw/zinc/09/53/27/433095327.db2.gz NIOOPPYYBBJHLU-CQSZACIVSA-N 2 2 314.820 3.325 20 30 DGEDLP Cn1cc[nH+]c1[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2C#N)C1 ZINC000373112202 433095340 /nfs/dbraw/zinc/09/53/40/433095340.db2.gz NIOOPPYYBBJHLU-CQSZACIVSA-N 2 2 314.820 3.325 20 30 DGEDLP C[C@H]1[C@H]([NH2+]Cc2cccc(C#N)c2)CC[N@@H+]1Cc1ccccc1 ZINC000336716884 433187583 /nfs/dbraw/zinc/18/75/83/433187583.db2.gz PYBUTMQETUIHOI-OXJNMPFZSA-N 2 2 305.425 3.311 20 30 DGEDLP C[C@H]1[C@H]([NH2+]Cc2cccc(C#N)c2)CC[N@H+]1Cc1ccccc1 ZINC000336716884 433187591 /nfs/dbraw/zinc/18/75/91/433187591.db2.gz PYBUTMQETUIHOI-OXJNMPFZSA-N 2 2 305.425 3.311 20 30 DGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@@H]3C[C@H]3c3ccco3)CC2)cc1 ZINC000414341699 433555820 /nfs/dbraw/zinc/55/58/20/433555820.db2.gz IFALSXRQVYYWSM-RTBURBONSA-N 2 2 321.424 3.261 20 30 DGEDLP C=C[C@@H]1OCCC[C@H]1[NH2+][C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000449545927 433751017 /nfs/dbraw/zinc/75/10/17/433751017.db2.gz AHHSOHINJPCRAE-AITUJVMLSA-N 2 2 300.446 3.145 20 30 DGEDLP C=C[C@@H]1OCCC[C@H]1[NH2+][C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000449545927 433751026 /nfs/dbraw/zinc/75/10/26/433751026.db2.gz AHHSOHINJPCRAE-AITUJVMLSA-N 2 2 300.446 3.145 20 30 DGEDLP C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000436294194 433931562 /nfs/dbraw/zinc/93/15/62/433931562.db2.gz FTMUCFSTSOLKPE-ZCNNSNEGSA-N 2 2 314.473 3.222 20 30 DGEDLP C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000436294194 433931576 /nfs/dbraw/zinc/93/15/76/433931576.db2.gz FTMUCFSTSOLKPE-ZCNNSNEGSA-N 2 2 314.473 3.222 20 30 DGEDLP C=CC[NH+]1CCC([NH2+][C@H](C)c2ccc(OC)c(OC)c2C)CC1 ZINC000286023573 434142234 /nfs/dbraw/zinc/14/22/34/434142234.db2.gz JXPSRRUWUJNFJW-OAHLLOKOSA-N 2 2 318.461 3.313 20 30 DGEDLP N#Cc1cccc(C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c1F ZINC000340886098 434415246 /nfs/dbraw/zinc/41/52/46/434415246.db2.gz DQZOKYGNVSKEOQ-HNNXBMFYSA-N 2 2 301.409 3.005 20 30 DGEDLP N#Cc1cccc(C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c1F ZINC000340886098 434415259 /nfs/dbraw/zinc/41/52/59/434415259.db2.gz DQZOKYGNVSKEOQ-HNNXBMFYSA-N 2 2 301.409 3.005 20 30 DGEDLP CCCCCCCC[N@@H+]1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000367022437 434534660 /nfs/dbraw/zinc/53/46/60/434534660.db2.gz SXWWSYDZVCMMLN-MOPGFXCFSA-N 2 2 309.542 3.305 20 30 DGEDLP CCCCCCCC[N@H+]1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000367022437 434534667 /nfs/dbraw/zinc/53/46/67/434534667.db2.gz SXWWSYDZVCMMLN-MOPGFXCFSA-N 2 2 309.542 3.305 20 30 DGEDLP CCCCCCCCNC(=[NH2+])NCc1c[nH+]c2n1CCCC2 ZINC000370268145 434609689 /nfs/dbraw/zinc/60/96/89/434609689.db2.gz WAACJVFQEGRBIG-UHFFFAOYSA-N 2 2 305.470 3.194 20 30 DGEDLP Cc1cc[nH+]c(N2CC[NH+](CCC3(C#N)CCCCC3)CC2)c1 ZINC000411320651 434762101 /nfs/dbraw/zinc/76/21/01/434762101.db2.gz GUYCZQHODQYICE-UHFFFAOYSA-N 2 2 312.461 3.376 20 30 DGEDLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+]CCc1cccc(C#N)c1 ZINC000466425302 435076042 /nfs/dbraw/zinc/07/60/42/435076042.db2.gz MIRBKYXYXYOKTF-UTKZUKDTSA-N 2 2 319.452 3.211 20 30 DGEDLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+]CCc1cccc(C#N)c1 ZINC000466425302 435076048 /nfs/dbraw/zinc/07/60/48/435076048.db2.gz MIRBKYXYXYOKTF-UTKZUKDTSA-N 2 2 319.452 3.211 20 30 DGEDLP Cn1c[nH+]cc1CCC[N@@H+]1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000514869942 435445570 /nfs/dbraw/zinc/44/55/70/435445570.db2.gz DWNYDULDKLYHKF-RTBURBONSA-N 2 2 308.429 3.124 20 30 DGEDLP Cn1c[nH+]cc1CCC[N@H+]1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000514869942 435445573 /nfs/dbraw/zinc/44/55/73/435445573.db2.gz DWNYDULDKLYHKF-RTBURBONSA-N 2 2 308.429 3.124 20 30 DGEDLP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)CC3(C#N)CC3)C2)s1 ZINC000515488312 435486790 /nfs/dbraw/zinc/48/67/90/435486790.db2.gz QPZVGYZQZUWUDL-OAHLLOKOSA-N 2 2 303.475 3.114 20 30 DGEDLP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)CC3(C#N)CC3)C2)s1 ZINC000515488312 435486791 /nfs/dbraw/zinc/48/67/91/435486791.db2.gz QPZVGYZQZUWUDL-OAHLLOKOSA-N 2 2 303.475 3.114 20 30 DGEDLP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)CC3(C#N)CC3)C2)s1 ZINC000515488312 435486794 /nfs/dbraw/zinc/48/67/94/435486794.db2.gz QPZVGYZQZUWUDL-OAHLLOKOSA-N 2 2 303.475 3.114 20 30 DGEDLP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)CC3(C#N)CC3)C2)s1 ZINC000515488312 435486798 /nfs/dbraw/zinc/48/67/98/435486798.db2.gz QPZVGYZQZUWUDL-OAHLLOKOSA-N 2 2 303.475 3.114 20 30 DGEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CCc3cccc(Cl)c3C2)CC1 ZINC000666088941 436144212 /nfs/dbraw/zinc/14/42/12/436144212.db2.gz TXHBLOURMUFNDE-MRXNPFEDSA-N 2 2 304.865 3.437 20 30 DGEDLP N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000564219802 315163573 /nfs/dbraw/zinc/16/35/73/315163573.db2.gz FGAZVTMKYWWULW-AEFFLSMTSA-N 2 2 306.413 3.127 20 30 DGEDLP C=CCC[C@@H](C)[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000390625787 333307742 /nfs/dbraw/zinc/30/77/42/333307742.db2.gz HYVICVPKILSPOR-MJGOQNOKSA-N 2 2 302.462 3.222 20 30 DGEDLP C=CCC[C@@H](C)[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000390625787 333307744 /nfs/dbraw/zinc/30/77/44/333307744.db2.gz HYVICVPKILSPOR-MJGOQNOKSA-N 2 2 302.462 3.222 20 30 DGEDLP COc1cccc([C@H](C[NH2+][C@@H]2CC[C@@H](C#N)C2)[NH+]2CCCC2)c1 ZINC000442647143 533780855 /nfs/dbraw/zinc/78/08/55/533780855.db2.gz LERPXVGAKKQVJW-SUMDDJOVSA-N 2 2 313.445 3.114 20 30 DGEDLP C[C@]1(C[NH2+]Cc2ccc(C#N)o2)CC[N@H+](Cc2ccccc2)C1 ZINC000309691274 534176972 /nfs/dbraw/zinc/17/69/72/534176972.db2.gz CWQGWVPJRLKDAF-LJQANCHMSA-N 2 2 309.413 3.153 20 30 DGEDLP C[C@]1(C[NH2+]Cc2ccc(C#N)o2)CC[N@@H+](Cc2ccccc2)C1 ZINC000309691274 534176985 /nfs/dbraw/zinc/17/69/85/534176985.db2.gz CWQGWVPJRLKDAF-LJQANCHMSA-N 2 2 309.413 3.153 20 30 DGEDLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@@H](C)c1ccc(C#N)cc1F)CCC2 ZINC000331708027 534511957 /nfs/dbraw/zinc/51/19/57/534511957.db2.gz AYRCYOPXOPZEKU-DZGCQCFKSA-N 2 2 312.392 3.431 20 30 DGEDLP C=C[C@@H]1OCC[C@H]1[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000449519779 534607251 /nfs/dbraw/zinc/60/72/51/534607251.db2.gz NHQONAUUWRITRA-MSOLQXFVSA-N 2 2 320.864 3.238 20 30 DGEDLP C=C(C[NH2+]C1CC[NH+](Cc2cccnc2)CC1)c1ccccc1 ZINC000346774707 526881218 /nfs/dbraw/zinc/88/12/18/526881218.db2.gz GOAFFLZCIMZYNE-UHFFFAOYSA-N 2 2 307.441 3.349 20 30 DGEDLP CC(C)[NH2+]C1CC[NH+](Cc2cccc(OCCCC#N)c2)CC1 ZINC000179833564 527733666 /nfs/dbraw/zinc/73/36/66/527733666.db2.gz DQVCEMNOTBJGKT-UHFFFAOYSA-N 2 2 315.461 3.332 20 30 DGEDLP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1cccc(C#N)c1F ZINC000429250300 528866818 /nfs/dbraw/zinc/86/68/18/528866818.db2.gz AGKSRTZBMBNLRW-UHFFFAOYSA-N 2 2 314.408 3.368 20 30 DGEDLP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1cccc(C#N)c1F ZINC000429250300 528866820 /nfs/dbraw/zinc/86/68/20/528866820.db2.gz AGKSRTZBMBNLRW-UHFFFAOYSA-N 2 2 314.408 3.368 20 30 DGEDLP CC[N@H+](C)C[C@H]1CC[NH+](Cc2cc(Cl)ccc2OCC#N)C1 ZINC000744423699 575341882 /nfs/dbraw/zinc/34/18/82/575341882.db2.gz OGIYBHAOJBZLNK-CQSZACIVSA-N 2 2 321.852 3.016 20 30 DGEDLP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2cc(Cl)ccc2OCC#N)C1 ZINC000744423699 575341884 /nfs/dbraw/zinc/34/18/84/575341884.db2.gz OGIYBHAOJBZLNK-CQSZACIVSA-N 2 2 321.852 3.016 20 30 DGEDLP CC[NH+](C)C[C@H]1CC[N@H+](Cc2cc(Cl)ccc2OCC#N)C1 ZINC000744423699 575341885 /nfs/dbraw/zinc/34/18/85/575341885.db2.gz OGIYBHAOJBZLNK-CQSZACIVSA-N 2 2 321.852 3.016 20 30 DGEDLP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2cc(Cl)ccc2OCC#N)C1 ZINC000744423699 575341887 /nfs/dbraw/zinc/34/18/87/575341887.db2.gz OGIYBHAOJBZLNK-CQSZACIVSA-N 2 2 321.852 3.016 20 30 DGEDLP CC[C@@H]([NH2+]C1CC[NH+](C(C)C)CC1)c1cccc(C#N)c1O ZINC000925303137 619156635 /nfs/dbraw/zinc/15/66/35/619156635.db2.gz LPYXKXDXVANGRL-QGZVFWFLSA-N 2 2 301.434 3.177 20 30 DGEDLP CC[C@@H]([NH2+]C[C@@H](C)C[NH+]1CCCC1)c1cccc(C#N)c1O ZINC000924716886 619264765 /nfs/dbraw/zinc/26/47/65/619264765.db2.gz ROYNOCTUDHGCNR-RHSMWYFYSA-N 2 2 301.434 3.036 20 30 DGEDLP C=CCC[C@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)[C@]1(C)CCCCO1 ZINC000902963640 619697951 /nfs/dbraw/zinc/69/79/51/619697951.db2.gz QHZIHPKXFQXUEI-RYRKJORJSA-N 2 2 303.450 3.082 20 30 DGEDLP N#Cc1cc(Cl)cc(C[N@@H+]2CCCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000903481397 619780797 /nfs/dbraw/zinc/78/07/97/619780797.db2.gz AQYJJQYLJMZZGV-KRWDZBQOSA-N 2 2 303.837 3.177 20 30 DGEDLP N#Cc1cc(Cl)cc(C[N@H+]2CCCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000903481397 619780798 /nfs/dbraw/zinc/78/07/98/619780798.db2.gz AQYJJQYLJMZZGV-KRWDZBQOSA-N 2 2 303.837 3.177 20 30 DGEDLP C=C(Cl)C[NH+]1CC[C@H](Oc2ccnc(C[N@@H+](C)C(C)C)c2)C1 ZINC000856597991 621006699 /nfs/dbraw/zinc/00/66/99/621006699.db2.gz CYDGORYHXWTXBH-KRWDZBQOSA-N 2 2 323.868 3.127 20 30 DGEDLP C=C(Cl)C[NH+]1CC[C@H](Oc2ccnc(C[N@H+](C)C(C)C)c2)C1 ZINC000856597991 621006700 /nfs/dbraw/zinc/00/67/00/621006700.db2.gz CYDGORYHXWTXBH-KRWDZBQOSA-N 2 2 323.868 3.127 20 30 DGEDLP C=C(Cl)C[N@H+]1CC[C@H](Oc2ccnc(C[NH+](C)C(C)C)c2)C1 ZINC000856597991 621006701 /nfs/dbraw/zinc/00/67/01/621006701.db2.gz CYDGORYHXWTXBH-KRWDZBQOSA-N 2 2 323.868 3.127 20 30 DGEDLP C=C(Cl)C[N@@H+]1CC[C@H](Oc2ccnc(C[NH+](C)C(C)C)c2)C1 ZINC000856597991 621006703 /nfs/dbraw/zinc/00/67/03/621006703.db2.gz CYDGORYHXWTXBH-KRWDZBQOSA-N 2 2 323.868 3.127 20 30 DGEDLP C#CCCOc1ccc(C[NH2+]C[C@@H]2CC[N@@H+]2C2CCCC2)cc1 ZINC000858285628 621172054 /nfs/dbraw/zinc/17/20/54/621172054.db2.gz NCGXEIACWGOPHM-IBGZPJMESA-N 2 2 312.457 3.195 20 30 DGEDLP C#CCCOc1ccc(C[NH2+]C[C@@H]2CC[N@H+]2C2CCCC2)cc1 ZINC000858285628 621172056 /nfs/dbraw/zinc/17/20/56/621172056.db2.gz NCGXEIACWGOPHM-IBGZPJMESA-N 2 2 312.457 3.195 20 30 DGEDLP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1)c1ccc(OCC#N)cc1 ZINC000858531280 621202263 /nfs/dbraw/zinc/20/22/63/621202263.db2.gz CIJAAJMQTWRHAV-QAPCUYQASA-N 2 2 313.445 3.256 20 30 DGEDLP C[C@@H]([NH2+]C[C@@H]1CC[N@H+]1C1CCCC1)c1ccc(OCC#N)cc1 ZINC000858531280 621202267 /nfs/dbraw/zinc/20/22/67/621202267.db2.gz CIJAAJMQTWRHAV-QAPCUYQASA-N 2 2 313.445 3.256 20 30 DGEDLP C=C(Br)C[N@@H+](CC)Cc1ccc(C[NH+](C)C)cc1 ZINC000859994734 621353291 /nfs/dbraw/zinc/35/32/91/621353291.db2.gz BLOLANAKKSKYGV-UHFFFAOYSA-N 2 2 311.267 3.479 20 30 DGEDLP C=C(Br)C[N@H+](CC)Cc1ccc(C[NH+](C)C)cc1 ZINC000859994734 621353293 /nfs/dbraw/zinc/35/32/93/621353293.db2.gz BLOLANAKKSKYGV-UHFFFAOYSA-N 2 2 311.267 3.479 20 30 DGEDLP C[C@H]1CCC[N@@H+]1CC[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000768401204 622454689 /nfs/dbraw/zinc/45/46/89/622454689.db2.gz DFNIGYGOUAIFJJ-KKXNLOMOSA-N 2 2 311.473 3.464 20 30 DGEDLP C[C@H]1CCC[N@H+]1CC[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000768401204 622454692 /nfs/dbraw/zinc/45/46/92/622454692.db2.gz DFNIGYGOUAIFJJ-KKXNLOMOSA-N 2 2 311.473 3.464 20 30 DGEDLP CCOc1ccc(/C=[NH+]\CC2CC[NH+](C3CC3)CC2)c(O)c1 ZINC000772156204 622858110 /nfs/dbraw/zinc/85/81/10/622858110.db2.gz XJTPRYORTNYJJU-UYRXBGFRSA-N 2 2 302.418 3.084 20 30 DGEDLP C=C(Br)C[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000125006847 623271559 /nfs/dbraw/zinc/27/15/59/623271559.db2.gz DAHQASSVDPFZGK-UHFFFAOYSA-N 2 2 301.272 3.282 20 30 DGEDLP C=C(Br)C[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000783031023 624302167 /nfs/dbraw/zinc/30/21/67/624302167.db2.gz GADRXODPEBUUDY-UHFFFAOYSA-N 2 2 312.255 3.284 20 30 DGEDLP C#CCOc1ccccc1C[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000784545084 624546286 /nfs/dbraw/zinc/54/62/86/624546286.db2.gz MVEATIWNYNGQJY-UHFFFAOYSA-N 2 2 323.421 3.236 20 30 DGEDLP C[NH+](C)C1CCN(c2ccc([NH2+][C@@H]3CC[C@H](C#N)C3)cc2)CC1 ZINC000799723084 626324478 /nfs/dbraw/zinc/32/44/78/626324478.db2.gz ZCAHZESCRKVPOZ-DOTOQJQBSA-N 2 2 312.461 3.321 20 30 DGEDLP C=CCC[C@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)[C@H]1Cc2ccccc2O1 ZINC000883218007 626612765 /nfs/dbraw/zinc/61/27/65/626612765.db2.gz SFCKDCFABFRHBO-JENIJYKNSA-N 2 2 323.440 3.126 20 30 DGEDLP C=CCC[C@@H](COc1ccccc1)[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000883223307 626614415 /nfs/dbraw/zinc/61/44/15/626614415.db2.gz MPKAVIWFFLVRQL-CVEARBPZSA-N 2 2 311.429 3.270 20 30 DGEDLP C=CCC[C@H](COc1ccccc1)[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000883223309 626614583 /nfs/dbraw/zinc/61/45/83/626614583.db2.gz MPKAVIWFFLVRQL-HZPDHXFCSA-N 2 2 311.429 3.270 20 30 DGEDLP CC(C)(C)[C@@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CCc2ccc(C#N)cc21 ZINC000810211798 626988192 /nfs/dbraw/zinc/98/81/92/626988192.db2.gz WHDSMZAIBNCHBZ-QZTJIDSGSA-N 2 2 308.429 3.447 20 30 DGEDLP C[C@H](CC(C)(C)C#N)[NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000924774871 627678397 /nfs/dbraw/zinc/67/83/97/627678397.db2.gz FGCXHRWAKSNZNX-CYBMUJFWSA-N 2 2 300.381 3.429 20 30 DGEDLP C#CC[N@H+](C)CCC[NH2+][C@H]1CCCOc2c(Cl)cccc21 ZINC000815652337 627694762 /nfs/dbraw/zinc/69/47/62/627694762.db2.gz YTBYWDIRSFYOFI-INIZCTEOSA-N 2 2 306.837 3.098 20 30 DGEDLP C#CC[N@@H+](C)CCC[NH2+][C@H]1CCCOc2c(Cl)cccc21 ZINC000815652337 627694765 /nfs/dbraw/zinc/69/47/65/627694765.db2.gz YTBYWDIRSFYOFI-INIZCTEOSA-N 2 2 306.837 3.098 20 30 DGEDLP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)c1cc(C)ccc1OC(F)F ZINC000815652326 627695111 /nfs/dbraw/zinc/69/51/11/627695111.db2.gz YMRAZKGYPYFBTC-AWEZNQCLSA-N 2 2 310.388 3.202 20 30 DGEDLP C#CC[N@H+](C)CCC[NH2+][C@@H](C)c1cc(C)ccc1OC(F)F ZINC000815652326 627695112 /nfs/dbraw/zinc/69/51/12/627695112.db2.gz YMRAZKGYPYFBTC-AWEZNQCLSA-N 2 2 310.388 3.202 20 30 DGEDLP CC[C@@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1cccc(C#N)c1O ZINC000926753174 627946722 /nfs/dbraw/zinc/94/67/22/627946722.db2.gz FRTSDRIGDMTTGF-RHSMWYFYSA-N 2 2 301.434 3.036 20 30 DGEDLP COc1cc(OCC[NH+](C)C)ccc1[NH2+]CC(C)(C)CCC#N ZINC000840958052 630384997 /nfs/dbraw/zinc/38/49/97/630384997.db2.gz HZJCKJOCPOMXJJ-UHFFFAOYSA-N 2 2 319.449 3.377 20 30 DGEDLP CC(C)CNC(=[NH2+])NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000303893481 657573377 /nfs/dbraw/zinc/57/33/77/657573377.db2.gz OFOBYPKHAGZXQO-INIZCTEOSA-N 2 2 322.884 3.037 20 30 DGEDLP CC[NH+](CC)[C@H](CNC(=[NH2+])N1CCC[C@H](C)C1)c1ccsc1 ZINC000303904042 657577399 /nfs/dbraw/zinc/57/73/99/657577399.db2.gz UQNJGZWFYNTVDV-GOEBONIOSA-N 2 2 322.522 3.178 20 30 DGEDLP C=CCCC[NH2+][C@H]1C[C@H](CNC(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001691511956 1177046438 /nfs/dbraw/zinc/04/64/38/1177046438.db2.gz LWWIQJGGSSKCEL-QAQDUYKDSA-N 2 2 315.461 3.071 20 30 DGEDLP CCCCCCCC[C@H]([NH3+])C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC001341584315 1179033250 /nfs/dbraw/zinc/03/32/50/1179033250.db2.gz DSRYVMCODNMSPZ-INIZCTEOSA-N 2 2 320.481 3.194 20 30 DGEDLP C=CC[NH+]1CCC([NH2+]Cc2cc(Cl)cc3c2OCC3)CC1 ZINC001473981433 1183842794 /nfs/dbraw/zinc/84/27/94/1183842794.db2.gz IPDSPOFBNCDFPB-UHFFFAOYSA-N 2 2 306.837 3.015 20 30 DGEDLP CC1(C)[C@H]([NH2+]CC#Cc2ccccc2Cl)[C@H]2CCC[NH2+][C@H]21 ZINC001576379987 1191576433 /nfs/dbraw/zinc/57/64/33/1191576433.db2.gz FFUBRQLSQUQNGW-DJIMGWMZSA-N 2 2 302.849 3.058 20 30 DGEDLP C=CCCCC[C@H](C)[NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC001621349604 1193832171 /nfs/dbraw/zinc/83/21/71/1193832171.db2.gz MIJOEAWESWHNMA-FXAWDEMLSA-N 2 2 316.489 3.130 20 30 DGEDLP C=CCCCC[C@H](C)[NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC001621349604 1193832172 /nfs/dbraw/zinc/83/21/72/1193832172.db2.gz MIJOEAWESWHNMA-FXAWDEMLSA-N 2 2 316.489 3.130 20 30 DGEDLP N#CCc1ccc(C[NH2+][C@@H](Cn2cc[nH+]c2)c2ccccc2)cc1 ZINC001644291876 1195096212 /nfs/dbraw/zinc/09/62/12/1195096212.db2.gz QYZCZMYIYJLJAE-FQEVSTJZSA-N 2 2 316.408 3.480 20 30 DGEDLP Cn1c[nH+]cc1C1CC[NH+](Cc2ccc(C3(C#N)CC3)cc2)CC1 ZINC001653262693 1195704793 /nfs/dbraw/zinc/70/47/93/1195704793.db2.gz FADNLDKHBBLCIB-UHFFFAOYSA-N 2 2 320.440 3.355 20 30 DGEDLP N#Cc1ccc(C[NH2+][C@@H](Cn2cc[nH+]c2)c2ccccc2)s1 ZINC001654623087 1195824116 /nfs/dbraw/zinc/82/41/16/1195824116.db2.gz LOFWLOXWGYSABO-KRWDZBQOSA-N 2 2 308.410 3.347 20 30 DGEDLP N#Cc1cc(C[NH2+][C@@H](Cn2cc[nH+]c2)c2ccccc2)cs1 ZINC001656845139 1196075256 /nfs/dbraw/zinc/07/52/56/1196075256.db2.gz YKBOSENSXNSJQD-KRWDZBQOSA-N 2 2 308.410 3.347 20 30 DGEDLP C#CCOc1ccc(C[NH2+]C[C@@H]2CC[N@@H+]2C2CCCCC2)cc1 ZINC001662888646 1196768471 /nfs/dbraw/zinc/76/84/71/1196768471.db2.gz IWGQGPRRDOWDEH-IBGZPJMESA-N 2 2 312.457 3.195 20 30 DGEDLP C#CCOc1ccc(C[NH2+]C[C@@H]2CC[N@H+]2C2CCCCC2)cc1 ZINC001662888646 1196768475 /nfs/dbraw/zinc/76/84/75/1196768475.db2.gz IWGQGPRRDOWDEH-IBGZPJMESA-N 2 2 312.457 3.195 20 30 DGEDLP C=CCC[NH2+]C[C@H](C1CC1)N(C)C(=O)c1c(C)cc(C)[nH+]c1C ZINC001676239505 1198259247 /nfs/dbraw/zinc/25/92/47/1198259247.db2.gz VWCAYAXRQMMSMZ-QGZVFWFLSA-N 2 2 315.461 3.023 20 30 DGEDLP C=C(C)C[NH2+][C@@H](C)[C@H]1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001754796624 1200493451 /nfs/dbraw/zinc/49/34/51/1200493451.db2.gz DWGWHIAEHCXNJF-RDJZCZTQSA-N 2 2 315.461 3.023 20 30 DGEDLP C=CCC[C@H](C)[NH2+]C[C@@H](C)N(C)C(=O)c1c(C)cc(C)[nH+]c1C ZINC001753704146 1202317161 /nfs/dbraw/zinc/31/71/61/1202317161.db2.gz WAUOBDVCCDWYJT-GOEBONIOSA-N 2 2 317.477 3.412 20 30 DGEDLP CCCCCCC[NH2+]CCNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001131562599 1082688125 /nfs/dbraw/zinc/68/81/25/1082688125.db2.gz APZGLBHGWLCYNG-UHFFFAOYSA-N 2 2 305.466 3.297 20 30 DGEDLP C=CC[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001268174177 1084284895 /nfs/dbraw/zinc/28/48/95/1084284895.db2.gz PXEOOIGVAJHRPQ-DOTOQJQBSA-N 2 2 315.461 3.023 20 30 DGEDLP C=CCC[N@@H+](CC)[C@H](C)CNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001154403156 1088596961 /nfs/dbraw/zinc/59/69/61/1088596961.db2.gz DEHYKJINUVGEMV-OAHLLOKOSA-N 2 2 303.450 3.023 20 30 DGEDLP C=CCC[N@H+](CC)[C@H](C)CNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001154403156 1088596975 /nfs/dbraw/zinc/59/69/75/1088596975.db2.gz DEHYKJINUVGEMV-OAHLLOKOSA-N 2 2 303.450 3.023 20 30 DGEDLP C[N@H+](Cc1ccc(Br)c(C#N)c1)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001236213047 1088710465 /nfs/dbraw/zinc/71/04/65/1088710465.db2.gz AUTWBWYKYPNUQD-LSDHHAIUSA-N 2 2 322.250 3.022 20 30 DGEDLP C[N@@H+](Cc1ccc(Br)c(C#N)c1)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001236213047 1088710478 /nfs/dbraw/zinc/71/04/78/1088710478.db2.gz AUTWBWYKYPNUQD-LSDHHAIUSA-N 2 2 322.250 3.022 20 30 DGEDLP C=C(C)COc1ccccc1C[NH+]1C[C@@H]2C[NH+](CC)C[C@H]2C1 ZINC001138666614 1091283830 /nfs/dbraw/zinc/28/38/30/1091283830.db2.gz ZWUJHOMUYKHFIW-ROUUACIJSA-N 2 2 300.446 3.025 20 30 DGEDLP C=CCCCC[N@@H+]1CC[C@H]2[C@H](CC[NH+]2Cc2nccs2)C1 ZINC001209204149 1092694713 /nfs/dbraw/zinc/69/47/13/1092694713.db2.gz ZXWHBQHLAGVKLA-CVEARBPZSA-N 2 2 305.491 3.396 20 30 DGEDLP C=CCCCC[N@H+]1CC[C@H]2[C@H](CC[NH+]2Cc2nccs2)C1 ZINC001209204149 1092694716 /nfs/dbraw/zinc/69/47/16/1092694716.db2.gz ZXWHBQHLAGVKLA-CVEARBPZSA-N 2 2 305.491 3.396 20 30 DGEDLP C=CCCCC[NH+]1CC[C@H]2[C@H](CC[N@@H+]2Cc2nccs2)C1 ZINC001209204149 1092694723 /nfs/dbraw/zinc/69/47/23/1092694723.db2.gz ZXWHBQHLAGVKLA-CVEARBPZSA-N 2 2 305.491 3.396 20 30 DGEDLP C=CCCCC[NH+]1CC[C@H]2[C@H](CC[N@H+]2Cc2nccs2)C1 ZINC001209204149 1092694729 /nfs/dbraw/zinc/69/47/29/1092694729.db2.gz ZXWHBQHLAGVKLA-CVEARBPZSA-N 2 2 305.491 3.396 20 30 DGEDLP C=CCCC[C@H]([NH3+])C(=O)Nc1cccc(-c2[nH]c(C)c(C)[nH+]2)c1 ZINC001121989987 1094859901 /nfs/dbraw/zinc/85/99/01/1094859901.db2.gz XKCMRUQNQCZVGF-INIZCTEOSA-N 2 2 312.417 3.316 20 30 DGEDLP C=CCOc1cccc(C[NH+]2CCC3(CCCC[NH2+]3)CC2)c1 ZINC001222297351 1095535132 /nfs/dbraw/zinc/53/51/32/1095535132.db2.gz FOYVKVHRADGJMM-UHFFFAOYSA-N 2 2 300.446 3.360 20 30 DGEDLP Cc1c[nH+]ccc1O[C@H]1CC[N@@H+]([C@H](C)Cc2ccc(C#N)cc2)C1 ZINC001172311217 1097097437 /nfs/dbraw/zinc/09/74/37/1097097437.db2.gz AFUIIOKDJDWKHM-APWZRJJASA-N 2 2 321.424 3.346 20 30 DGEDLP Cc1c[nH+]ccc1O[C@H]1CC[N@H+]([C@H](C)Cc2ccc(C#N)cc2)C1 ZINC001172311217 1097097441 /nfs/dbraw/zinc/09/74/41/1097097441.db2.gz AFUIIOKDJDWKHM-APWZRJJASA-N 2 2 321.424 3.346 20 30 DGEDLP C[C@@H](CCCC#N)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC001172480944 1097150333 /nfs/dbraw/zinc/15/03/33/1097150333.db2.gz YEFNFXYQUYVDJR-INIZCTEOSA-N 2 2 310.445 3.195 20 30 DGEDLP C=CCOC1CCC([NH2+]C2CCN(c3cccc[nH+]3)CC2)CC1 ZINC001173313548 1097408580 /nfs/dbraw/zinc/40/85/80/1097408580.db2.gz AIEHUFLKZDUWRK-UHFFFAOYSA-N 2 2 315.461 3.154 20 30 DGEDLP C[N@@H+]1C[C@H]2C[C@@H](C1)[NH+](Cc1ccc(-c3ccccc3C#N)cc1)C2 ZINC001277503740 1097711266 /nfs/dbraw/zinc/71/12/66/1097711266.db2.gz BGYSOAJVNFTEEA-XLIONFOSSA-N 2 2 317.436 3.361 20 30 DGEDLP C[N@H+]1C[C@H]2C[C@@H](C1)[NH+](Cc1ccc(-c3ccccc3C#N)cc1)C2 ZINC001277503740 1097711271 /nfs/dbraw/zinc/71/12/71/1097711271.db2.gz BGYSOAJVNFTEEA-XLIONFOSSA-N 2 2 317.436 3.361 20 30 DGEDLP C[NH+]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccc(-c3ccccc3C#N)cc1)C2 ZINC001277503740 1097711276 /nfs/dbraw/zinc/71/12/76/1097711276.db2.gz BGYSOAJVNFTEEA-XLIONFOSSA-N 2 2 317.436 3.361 20 30 DGEDLP C[NH+]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccc(-c3ccccc3C#N)cc1)C2 ZINC001277503740 1097711280 /nfs/dbraw/zinc/71/12/80/1097711280.db2.gz BGYSOAJVNFTEEA-XLIONFOSSA-N 2 2 317.436 3.361 20 30 DGEDLP C#Cc1cccc(C[N@@H+]2C[C@@H]3C[NH+](Cc4cccs4)C[C@@H]3C2)c1 ZINC001231655523 1097804756 /nfs/dbraw/zinc/80/47/56/1097804756.db2.gz QANHAKIRFAOFKJ-KDURUIRLSA-N 2 2 322.477 3.293 20 30 DGEDLP C#Cc1cccc(C[N@H+]2C[C@@H]3C[NH+](Cc4cccs4)C[C@@H]3C2)c1 ZINC001231655523 1097804763 /nfs/dbraw/zinc/80/47/63/1097804763.db2.gz QANHAKIRFAOFKJ-KDURUIRLSA-N 2 2 322.477 3.293 20 30 DGEDLP C#Cc1cccc(C[NH+]2C[C@@H]3C[N@H+](Cc4cccs4)C[C@@H]3C2)c1 ZINC001231655523 1097804769 /nfs/dbraw/zinc/80/47/69/1097804769.db2.gz QANHAKIRFAOFKJ-KDURUIRLSA-N 2 2 322.477 3.293 20 30 DGEDLP C#Cc1cccc(C[NH+]2C[C@@H]3C[N@@H+](Cc4cccs4)C[C@@H]3C2)c1 ZINC001231655523 1097804775 /nfs/dbraw/zinc/80/47/75/1097804775.db2.gz QANHAKIRFAOFKJ-KDURUIRLSA-N 2 2 322.477 3.293 20 30 DGEDLP Cn1cc(C[N@@H+]2CCCC[C@@]23CCC[NH2+]C3)c2cc(C#N)ccc21 ZINC001235173888 1098855239 /nfs/dbraw/zinc/85/52/39/1098855239.db2.gz FMQSYRDDOMFIEP-FQEVSTJZSA-N 2 2 322.456 3.158 20 30 DGEDLP Cn1cc(C[N@H+]2CCCC[C@@]23CCC[NH2+]C3)c2cc(C#N)ccc21 ZINC001235173888 1098855246 /nfs/dbraw/zinc/85/52/46/1098855246.db2.gz FMQSYRDDOMFIEP-FQEVSTJZSA-N 2 2 322.456 3.158 20 30 DGEDLP C(#Cc1ccccc1)c1ccc(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)s1 ZINC001235267723 1098937003 /nfs/dbraw/zinc/93/70/03/1098937003.db2.gz IGSWFZHRAKLTQZ-PXNSSMCTSA-N 2 2 322.477 3.332 20 30 DGEDLP C(#Cc1ccccc1)c1ccc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)s1 ZINC001235267723 1098937008 /nfs/dbraw/zinc/93/70/08/1098937008.db2.gz IGSWFZHRAKLTQZ-PXNSSMCTSA-N 2 2 322.477 3.332 20 30 DGEDLP C[C@H]([NH3+])C[N@H+](C)Cc1ccc(N(C)c2ccc(C#N)cc2)cc1 ZINC001236894719 1099859071 /nfs/dbraw/zinc/85/90/71/1099859071.db2.gz BYDMDQDAZXCQHD-HNNXBMFYSA-N 2 2 308.429 3.105 20 30 DGEDLP C[C@H]([NH3+])C[N@@H+](C)Cc1ccc(N(C)c2ccc(C#N)cc2)cc1 ZINC001236894719 1099859078 /nfs/dbraw/zinc/85/90/78/1099859078.db2.gz BYDMDQDAZXCQHD-HNNXBMFYSA-N 2 2 308.429 3.105 20 30 DGEDLP C=CCOc1cccc(C[N@H+](C2CCC2)[C@H]2CCC[NH2+]C2)c1 ZINC001237158477 1100007192 /nfs/dbraw/zinc/00/71/92/1100007192.db2.gz YSFPXZGLWNWMKA-SFHVURJKSA-N 2 2 300.446 3.358 20 30 DGEDLP C=CCOc1cccc(C[N@@H+](C2CCC2)[C@H]2CCC[NH2+]C2)c1 ZINC001237158477 1100007196 /nfs/dbraw/zinc/00/71/96/1100007196.db2.gz YSFPXZGLWNWMKA-SFHVURJKSA-N 2 2 300.446 3.358 20 30 DGEDLP N#Cc1c(F)cc(-c2cccc(C[N@H+]3CC[C@@H]([NH3+])C3)c2)cc1F ZINC001239931024 1100802410 /nfs/dbraw/zinc/80/24/10/1100802410.db2.gz LILHVARKFGRAIO-OAHLLOKOSA-N 2 2 313.351 3.036 20 30 DGEDLP N#Cc1c(F)cc(-c2cccc(C[N@@H+]3CC[C@@H]([NH3+])C3)c2)cc1F ZINC001239931024 1100802413 /nfs/dbraw/zinc/80/24/13/1100802413.db2.gz LILHVARKFGRAIO-OAHLLOKOSA-N 2 2 313.351 3.036 20 30 DGEDLP N#Cc1cc(Cl)cc(-c2ccccc2C[N@H+]2CC[C@@H]([NH3+])C2)c1 ZINC001242570757 1102217313 /nfs/dbraw/zinc/21/73/13/1102217313.db2.gz UABPSSTZJZTOJL-QGZVFWFLSA-N 2 2 311.816 3.412 20 30 DGEDLP N#Cc1cc(Cl)cc(-c2ccccc2C[N@@H+]2CC[C@@H]([NH3+])C2)c1 ZINC001242570757 1102217322 /nfs/dbraw/zinc/21/73/22/1102217322.db2.gz UABPSSTZJZTOJL-QGZVFWFLSA-N 2 2 311.816 3.412 20 30 DGEDLP C=CCCCCCC[C@H](O)C[N@@H+]1CCC[C@@]2(CCCC[NH2+]2)C1 ZINC001246020523 1104353463 /nfs/dbraw/zinc/35/34/63/1104353463.db2.gz CKLPLTXALLXMMU-OALUTQOASA-N 2 2 308.510 3.482 20 30 DGEDLP C=CCCCCCC[C@H](O)C[N@H+]1CCC[C@@]2(CCCC[NH2+]2)C1 ZINC001246020523 1104353473 /nfs/dbraw/zinc/35/34/73/1104353473.db2.gz CKLPLTXALLXMMU-OALUTQOASA-N 2 2 308.510 3.482 20 30 DGEDLP C=CCCC[N@@H+]1CCC[C@@]2(CC[NH+](Cc3cccc(=O)[nH]3)C2)C1 ZINC001274962665 1104557217 /nfs/dbraw/zinc/55/72/17/1104557217.db2.gz QUIZZKKWUOMDIV-LJQANCHMSA-N 2 2 315.461 3.041 20 30 DGEDLP C=CCCC[N@H+]1CCC[C@@]2(CC[NH+](Cc3cccc(=O)[nH]3)C2)C1 ZINC001274962665 1104557224 /nfs/dbraw/zinc/55/72/24/1104557224.db2.gz QUIZZKKWUOMDIV-LJQANCHMSA-N 2 2 315.461 3.041 20 30 DGEDLP C=CCCC[NH+]1CCC[C@@]2(CC[N@H+](Cc3cccc(=O)[nH]3)C2)C1 ZINC001274962665 1104557232 /nfs/dbraw/zinc/55/72/32/1104557232.db2.gz QUIZZKKWUOMDIV-LJQANCHMSA-N 2 2 315.461 3.041 20 30 DGEDLP C=CCCC[NH+]1CCC[C@@]2(CC[N@@H+](Cc3cccc(=O)[nH]3)C2)C1 ZINC001274962665 1104557241 /nfs/dbraw/zinc/55/72/41/1104557241.db2.gz QUIZZKKWUOMDIV-LJQANCHMSA-N 2 2 315.461 3.041 20 30 DGEDLP CCCCCCC[C@H](CC)[N@@H+]1CC[C@]2(C(=O)OC)CC[NH2+][C@@H]2C1 ZINC001246986257 1104763618 /nfs/dbraw/zinc/76/36/18/1104763618.db2.gz JTNLHPDNGDNBLF-YQVWRLOYSA-N 2 2 324.509 3.353 20 30 DGEDLP CCCCCCC[C@H](CC)[N@H+]1CC[C@]2(C(=O)OC)CC[NH2+][C@@H]2C1 ZINC001246986257 1104763624 /nfs/dbraw/zinc/76/36/24/1104763624.db2.gz JTNLHPDNGDNBLF-YQVWRLOYSA-N 2 2 324.509 3.353 20 30 DGEDLP C=CCCCCCCC[NH+]1CC2(CCN2CCn2cc[nH+]c2)C1 ZINC001276042775 1105004695 /nfs/dbraw/zinc/00/46/95/1105004695.db2.gz GFVFQQUFDMPRAS-UHFFFAOYSA-N 2 2 316.493 3.170 20 30 DGEDLP C=CCCCCCC[C@@H](O)C[NH+]1CC2(C1)CC[N@H+](CC1CC1)C2 ZINC001253236502 1105907118 /nfs/dbraw/zinc/90/71/18/1105907118.db2.gz DNIDTEZJNORFLZ-LJQANCHMSA-N 2 2 320.521 3.292 20 30 DGEDLP C=CCCCCCC[C@@H](O)C[NH+]1CC2(C1)CC[N@@H+](CC1CC1)C2 ZINC001253236502 1105907123 /nfs/dbraw/zinc/90/71/23/1105907123.db2.gz DNIDTEZJNORFLZ-LJQANCHMSA-N 2 2 320.521 3.292 20 30 DGEDLP C[NH+](C)C[C@H]([NH2+][C@H]1CC[C@H](C#N)C1)C12CC3CC(CC(C3)C1)C2 ZINC001254656108 1106124618 /nfs/dbraw/zinc/12/46/18/1106124618.db2.gz HSXLLXYALUCADT-UDCIBNOJSA-N 2 2 315.505 3.415 20 30 DGEDLP C[C@H]1C[C@@H]([NH2+]Cc2ccc(C#N)nc2)CC[N@@H+]1Cc1ccccc1 ZINC001256537483 1106437975 /nfs/dbraw/zinc/43/79/75/1106437975.db2.gz OQUFALDRTPFRQS-LPHOPBHVSA-N 2 2 320.440 3.096 20 30 DGEDLP C[C@H]1C[C@@H]([NH2+]Cc2ccc(C#N)nc2)CC[N@H+]1Cc1ccccc1 ZINC001256537483 1106437977 /nfs/dbraw/zinc/43/79/77/1106437977.db2.gz OQUFALDRTPFRQS-LPHOPBHVSA-N 2 2 320.440 3.096 20 30 DGEDLP N#CC1CCC([NH2+]C2CC[NH+](Cc3ccc(O)cc3)CC2)CC1 ZINC001256960416 1106515899 /nfs/dbraw/zinc/51/58/99/1106515899.db2.gz YBSASOGFBRGYCR-UHFFFAOYSA-N 2 2 313.445 3.029 20 30 DGEDLP C=CCC[C@H](C)N(c1cccc[nH+]1)[C@H]1COC2(C1)CC[NH2+]CC2 ZINC001258727049 1106932295 /nfs/dbraw/zinc/93/22/95/1106932295.db2.gz AZXCZWQBFRCEFV-DLBZAZTESA-N 2 2 315.461 3.154 20 30 DGEDLP CC[NH+](CC)CCC[C@@H](C)[N@H+](CCC#N)Cc1cccnc1 ZINC001258908145 1107054533 /nfs/dbraw/zinc/05/45/33/1107054533.db2.gz RQWVDPSEAHSVMQ-QGZVFWFLSA-N 2 2 302.466 3.308 20 30 DGEDLP CC[NH+](CC)CCC[C@@H](C)[N@@H+](CCC#N)Cc1cccnc1 ZINC001258908145 1107054548 /nfs/dbraw/zinc/05/45/48/1107054548.db2.gz RQWVDPSEAHSVMQ-QGZVFWFLSA-N 2 2 302.466 3.308 20 30 DGEDLP CC[C@H]([NH2+]C[C@]1([NH+](C)C)CCSC1)c1ccc(C#N)cc1 ZINC000278358985 214113414 /nfs/dbraw/zinc/11/34/14/214113414.db2.gz BHZKNEGOYOWLCE-DLBZAZTESA-N 2 2 303.475 3.036 20 30 DGEDLP C[C@@H]1[C@@H]([NH2+]Cc2ccc(C#N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000309718351 231102385 /nfs/dbraw/zinc/10/23/85/231102385.db2.gz LMFJYQPHNGLCCK-UZLBHIALSA-N 2 2 305.425 3.311 20 30 DGEDLP C[C@@H]1[C@@H]([NH2+]Cc2ccc(C#N)cc2)CC[N@H+]1Cc1ccccc1 ZINC000309718351 231102387 /nfs/dbraw/zinc/10/23/87/231102387.db2.gz LMFJYQPHNGLCCK-UZLBHIALSA-N 2 2 305.425 3.311 20 30 DGEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000106245411 432020593 /nfs/dbraw/zinc/02/05/93/432020593.db2.gz NPKYKDFICHNZBA-UHFFFAOYSA-N 2 2 323.824 3.378 20 30 DGEDLP C=CCOc1ccc(C[NH+]2CCC([NH2+]C(C)C)CC2)cc1OC ZINC000179835100 199086117 /nfs/dbraw/zinc/08/61/17/199086117.db2.gz BXMYHAMQIPDAKT-UHFFFAOYSA-N 2 2 318.461 3.222 20 30 DGEDLP Fc1ccc(C#CC[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000134871118 432088015 /nfs/dbraw/zinc/08/80/15/432088015.db2.gz VBDXVRCSYVBSCH-XLIONFOSSA-N 2 2 312.432 3.126 20 30 DGEDLP Fc1ccc(C#CC[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000134871118 432088018 /nfs/dbraw/zinc/08/80/18/432088018.db2.gz VBDXVRCSYVBSCH-XLIONFOSSA-N 2 2 312.432 3.126 20 30 DGEDLP Fc1ccc(C#CC[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000134871118 432088019 /nfs/dbraw/zinc/08/80/19/432088019.db2.gz VBDXVRCSYVBSCH-XLIONFOSSA-N 2 2 312.432 3.126 20 30 DGEDLP Fc1ccc(C#CC[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000134871118 432088021 /nfs/dbraw/zinc/08/80/21/432088021.db2.gz VBDXVRCSYVBSCH-XLIONFOSSA-N 2 2 312.432 3.126 20 30 DGEDLP C=CC[NH+](CC=C)[C@H](C[NH2+][C@@H]1CCOC2(CCC2)C1)C(C)C ZINC000449074624 240004113 /nfs/dbraw/zinc/00/41/13/240004113.db2.gz LAIIDAZAQANRPR-QZTJIDSGSA-N 2 2 306.494 3.376 20 30 DGEDLP N#C[C@H]1CC[C@@H]([NH2+]Cc2c(Cl)cccc2-n2cc[nH+]c2)C1 ZINC000449352684 240153330 /nfs/dbraw/zinc/15/33/30/240153330.db2.gz XSVLSWMCOGIATB-QWHCGFSZSA-N 2 2 300.793 3.308 20 30 DGEDLP C=CC[NH+]1CCC([NH2+]Cc2cccc(Cl)c2OCC)CC1 ZINC000487285741 245045410 /nfs/dbraw/zinc/04/54/10/245045410.db2.gz CIHGDEVJFSBGLA-UHFFFAOYSA-N 2 2 308.853 3.479 20 30 DGEDLP N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]CCCNc1cccc[nH+]1 ZINC000611393885 400392638 /nfs/dbraw/zinc/39/26/38/400392638.db2.gz QTFUTEFXXGQACI-GOSISDBHSA-N 2 2 306.413 3.422 20 30 DGEDLP N#CC1(c2ccccc2)CCC([NH2+][C@H]2CC[N@H+](CC3CC3)C2)CC1 ZINC000611255147 400365662 /nfs/dbraw/zinc/36/56/62/400365662.db2.gz HGMKRRVIVQKFHD-KBWCOIMZSA-N 2 2 323.484 3.464 20 30 DGEDLP N#CC1(c2ccccc2)CCC([NH2+][C@H]2CC[N@@H+](CC3CC3)C2)CC1 ZINC000611255147 400365665 /nfs/dbraw/zinc/36/56/65/400365665.db2.gz HGMKRRVIVQKFHD-KBWCOIMZSA-N 2 2 323.484 3.464 20 30 DGEDLP C[C@@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccccc1)c1ccc(C#N)cc1F ZINC000596647983 400470662 /nfs/dbraw/zinc/47/06/62/400470662.db2.gz FJEQQWGNOSREIB-LXGCGDOSSA-N 2 2 323.415 3.494 20 30 DGEDLP C=CCCSCC[NH2+][C@@H](c1ccc(OC)cc1)[C@@H]1CCC[NH2+]1 ZINC000596650216 400472027 /nfs/dbraw/zinc/47/20/27/400472027.db2.gz JMXUUGKHRLVDHG-ROUUACIJSA-N 2 2 320.502 3.387 20 30 DGEDLP COCC[N@H+](CCC#N)Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000591015770 400476102 /nfs/dbraw/zinc/47/61/02/400476102.db2.gz XRMFBGDMXRJIRR-UHFFFAOYSA-N 2 2 315.461 3.035 20 30 DGEDLP COCC[N@@H+](CCC#N)Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000591015770 400476105 /nfs/dbraw/zinc/47/61/05/400476105.db2.gz XRMFBGDMXRJIRR-UHFFFAOYSA-N 2 2 315.461 3.035 20 30 DGEDLP C[C@@H]1C[C@@H]([NH2+]Cc2cccc(C#N)n2)CC[N@@H+]1Cc1ccccc1 ZINC000602563867 400497141 /nfs/dbraw/zinc/49/71/41/400497141.db2.gz HNRKVYPQIWRMJF-AEFFLSMTSA-N 2 2 320.440 3.096 20 30 DGEDLP C[C@@H]1C[C@@H]([NH2+]Cc2cccc(C#N)n2)CC[N@H+]1Cc1ccccc1 ZINC000602563867 400497146 /nfs/dbraw/zinc/49/71/46/400497146.db2.gz HNRKVYPQIWRMJF-AEFFLSMTSA-N 2 2 320.440 3.096 20 30 DGEDLP N#Cc1cccc(C[NH+]2CCC([NH2+]C3CCSCC3)CC2)c1 ZINC000593687202 400890929 /nfs/dbraw/zinc/89/09/29/400890929.db2.gz GEZWAKGMISLRKV-UHFFFAOYSA-N 2 2 315.486 3.008 20 30 DGEDLP N#Cc1cccc(C[NH+]2CCC([NH2+][C@H]3CCC34CCC4)CC2)c1 ZINC000593725481 400900361 /nfs/dbraw/zinc/90/03/61/400900361.db2.gz MJTQZCZGPMFZQT-IBGZPJMESA-N 2 2 309.457 3.445 20 30 DGEDLP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+]CCc1ccc(C#N)cc1 ZINC000594955321 401205144 /nfs/dbraw/zinc/20/51/44/401205144.db2.gz NAODXHVMMACDIY-LAUBAEHRSA-N 2 2 319.452 3.211 20 30 DGEDLP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+]CCc1ccc(C#N)cc1 ZINC000594955321 401205155 /nfs/dbraw/zinc/20/51/55/401205155.db2.gz NAODXHVMMACDIY-LAUBAEHRSA-N 2 2 319.452 3.211 20 30 DGEDLP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+]Cc2ccc(C#N)cc2)CC1 ZINC000131071925 287157923 /nfs/dbraw/zinc/15/79/23/287157923.db2.gz LIDHZLLMIFTFFH-INIZCTEOSA-N 2 2 320.440 3.268 20 30 DGEDLP COc1ccc(C[NH+]2CCC([NH+]3CCCCC3)CC2)cc1C#N ZINC000269690090 432198850 /nfs/dbraw/zinc/19/88/50/432198850.db2.gz WAPXLPNIXIZHDV-UHFFFAOYSA-N 2 2 313.445 3.017 20 30 DGEDLP Cn1cc(C[NH2+]C[C@@H]2CCCC[N@@H+]2Cc2ccccc2)cc1C#N ZINC000190903864 432200429 /nfs/dbraw/zinc/20/04/29/432200429.db2.gz XDJWLDGLLLAYSL-IBGZPJMESA-N 2 2 322.456 3.041 20 30 DGEDLP Cn1cc(C[NH2+]C[C@@H]2CCCC[N@H+]2Cc2ccccc2)cc1C#N ZINC000190903864 432200433 /nfs/dbraw/zinc/20/04/33/432200433.db2.gz XDJWLDGLLLAYSL-IBGZPJMESA-N 2 2 322.456 3.041 20 30 DGEDLP C=CC[NH+]1CCC([NH2+]Cc2ccc(OCC3CC3)cc2)CC1 ZINC000190977430 432206964 /nfs/dbraw/zinc/20/69/64/432206964.db2.gz BTONUXPWRFHMIT-UHFFFAOYSA-N 2 2 300.446 3.215 20 30 DGEDLP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000163195628 228261746 /nfs/dbraw/zinc/26/17/46/228261746.db2.gz WYIPDVYZZYZQBU-RBUKOAKNSA-N 2 2 308.429 3.353 20 30 DGEDLP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000163195628 228261749 /nfs/dbraw/zinc/26/17/49/228261749.db2.gz WYIPDVYZZYZQBU-RBUKOAKNSA-N 2 2 308.429 3.353 20 30 DGEDLP CC[NH+]1CCC([NH2+]Cc2ccc(C#N)cc2C(F)(F)F)CC1 ZINC000352857142 265200795 /nfs/dbraw/zinc/20/07/95/265200795.db2.gz XSVBWROLIRCVII-UHFFFAOYSA-N 2 2 311.351 3.151 20 30 DGEDLP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(C#N)c(F)c2)C[N@@H+]1Cc1ccccc1 ZINC000403971917 267082224 /nfs/dbraw/zinc/08/22/24/267082224.db2.gz BWJPUROYPMEHRZ-DNVCBOLYSA-N 2 2 323.415 3.450 20 30 DGEDLP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(C#N)c(F)c2)C[N@H+]1Cc1ccccc1 ZINC000403971917 267082227 /nfs/dbraw/zinc/08/22/27/267082227.db2.gz BWJPUROYPMEHRZ-DNVCBOLYSA-N 2 2 323.415 3.450 20 30 DGEDLP N#Cc1ccc(C[NH2+]C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)o1 ZINC000369674530 268074177 /nfs/dbraw/zinc/07/41/77/268074177.db2.gz VNQATZZDFFRBAW-KRWDZBQOSA-N 2 2 309.413 3.153 20 30 DGEDLP N#Cc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)o1 ZINC000369674530 268074180 /nfs/dbraw/zinc/07/41/80/268074180.db2.gz VNQATZZDFFRBAW-KRWDZBQOSA-N 2 2 309.413 3.153 20 30 DGEDLP Cc1cc(C[NH2+]C2CC[NH+](Cc3ccncc3)CC2)ccc1C#N ZINC000443976656 533688001 /nfs/dbraw/zinc/68/80/01/533688001.db2.gz FMGCCZSHIJLEKR-UHFFFAOYSA-N 2 2 320.440 3.016 20 30 DGEDLP CC[N@@H+]1CC[C@H]([NH+](C)CC#Cc2ccc(Cl)cc2)C[C@@H]1C ZINC000426452684 276224275 /nfs/dbraw/zinc/22/42/75/276224275.db2.gz YFESCRNDSFDISP-YJBOKZPZSA-N 2 2 304.865 3.496 20 30 DGEDLP CC[N@H+]1CC[C@H]([NH+](C)CC#Cc2ccc(Cl)cc2)C[C@@H]1C ZINC000426452684 276224277 /nfs/dbraw/zinc/22/42/77/276224277.db2.gz YFESCRNDSFDISP-YJBOKZPZSA-N 2 2 304.865 3.496 20 30 DGEDLP CC[NH+]1CC[C@H]([N@H+](C)CC#Cc2ccc(Cl)cc2)C[C@@H]1C ZINC000426452684 276224278 /nfs/dbraw/zinc/22/42/78/276224278.db2.gz YFESCRNDSFDISP-YJBOKZPZSA-N 2 2 304.865 3.496 20 30 DGEDLP CC[NH+]1CC[C@H]([N@@H+](C)CC#Cc2ccc(Cl)cc2)C[C@@H]1C ZINC000426452684 276224280 /nfs/dbraw/zinc/22/42/80/276224280.db2.gz YFESCRNDSFDISP-YJBOKZPZSA-N 2 2 304.865 3.496 20 30 DGEDLP N#Cc1cccc(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)c1 ZINC000030909918 431749467 /nfs/dbraw/zinc/74/94/67/431749467.db2.gz KIDLBEUEPDAAJB-UHFFFAOYSA-N 2 2 319.452 3.355 20 30 DGEDLP N#Cc1ccc(C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)cc1F ZINC000192034800 432327868 /nfs/dbraw/zinc/32/78/68/432327868.db2.gz ZKGLZBYIQDHHSH-KRWDZBQOSA-N 2 2 301.409 3.148 20 30 DGEDLP N#Cc1ccc(C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)cc1F ZINC000192034800 432327872 /nfs/dbraw/zinc/32/78/72/432327872.db2.gz ZKGLZBYIQDHHSH-KRWDZBQOSA-N 2 2 301.409 3.148 20 30 DGEDLP Cc1cc(N2CC[NH+](C)CC2)ccc1[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000193072557 432445736 /nfs/dbraw/zinc/44/57/36/432445736.db2.gz RCQYKLRDMZPYDQ-IRXDYDNUSA-N 2 2 312.461 3.241 20 30 DGEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000192839318 432420078 /nfs/dbraw/zinc/42/00/78/432420078.db2.gz OQMQZLBEJHXDNA-GOSISDBHSA-N 2 2 315.417 3.212 20 30 DGEDLP [NH2+]=C(NCCc1[nH]c2ccccc2[nH+]1)Nc1ccc2c(c1)CCC2 ZINC000262163811 432477739 /nfs/dbraw/zinc/47/77/39/432477739.db2.gz AEXZSXAPSFOGBG-UHFFFAOYSA-N 2 2 319.412 3.021 20 30 DGEDLP N#Cc1csc(C[NH2+]C[C@@H]2CCC[N@@H+]2Cc2ccccc2)c1 ZINC000177702040 432652584 /nfs/dbraw/zinc/65/25/84/432652584.db2.gz WHOHEAAJLHIWRO-KRWDZBQOSA-N 2 2 311.454 3.374 20 30 DGEDLP N#Cc1csc(C[NH2+]C[C@@H]2CCC[N@H+]2Cc2ccccc2)c1 ZINC000177702040 432652588 /nfs/dbraw/zinc/65/25/88/432652588.db2.gz WHOHEAAJLHIWRO-KRWDZBQOSA-N 2 2 311.454 3.374 20 30 DGEDLP C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000245997280 432874070 /nfs/dbraw/zinc/87/40/70/432874070.db2.gz XRPJSIXWZURCJM-RDJZCZTQSA-N 2 2 308.429 3.307 20 30 DGEDLP C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000245997280 432874072 /nfs/dbraw/zinc/87/40/72/432874072.db2.gz XRPJSIXWZURCJM-RDJZCZTQSA-N 2 2 308.429 3.307 20 30 DGEDLP C=CCOc1ccc(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)cc1Cl ZINC000427130626 433657620 /nfs/dbraw/zinc/65/76/20/433657620.db2.gz KIUFXBDANXENAO-HOCLYGCPSA-N 2 2 306.837 3.089 20 30 DGEDLP C=CCOc1ccc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)cc1Cl ZINC000427130626 433657626 /nfs/dbraw/zinc/65/76/26/433657626.db2.gz KIUFXBDANXENAO-HOCLYGCPSA-N 2 2 306.837 3.089 20 30 DGEDLP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000436294192 433928664 /nfs/dbraw/zinc/92/86/64/433928664.db2.gz FTMUCFSTSOLKPE-AQNXPRMDSA-N 2 2 314.473 3.222 20 30 DGEDLP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000436294192 433928674 /nfs/dbraw/zinc/92/86/74/433928674.db2.gz FTMUCFSTSOLKPE-AQNXPRMDSA-N 2 2 314.473 3.222 20 30 DGEDLP C=CCOc1ccccc1C[NH2+][C@@H](Cc1ccccc1)[C@H](C)[NH3+] ZINC000422901390 434097626 /nfs/dbraw/zinc/09/76/26/434097626.db2.gz BXVMNIHEBPNADX-LPHOPBHVSA-N 2 2 310.441 3.300 20 30 DGEDLP C[C@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1ccc(C#N)c(F)c1 ZINC000346185111 434178609 /nfs/dbraw/zinc/17/86/09/434178609.db2.gz NTJQBINWFYTZGC-ZDUSSCGKSA-N 2 2 312.392 3.123 20 30 DGEDLP CCCCCCCC[N@@H+]1CC[C@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000367022440 434535387 /nfs/dbraw/zinc/53/53/87/434535387.db2.gz SXWWSYDZVCMMLN-OALUTQOASA-N 2 2 309.542 3.305 20 30 DGEDLP CCCCCCCC[N@H+]1CC[C@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000367022440 434535393 /nfs/dbraw/zinc/53/53/93/434535393.db2.gz SXWWSYDZVCMMLN-OALUTQOASA-N 2 2 309.542 3.305 20 30 DGEDLP C[N@H+](Cc1ccc(C#N)cc1)C1CC[NH+](Cc2ccncc2)CC1 ZINC000367117025 434541712 /nfs/dbraw/zinc/54/17/12/434541712.db2.gz KHYIUJTWRGPSLT-UHFFFAOYSA-N 2 2 320.440 3.050 20 30 DGEDLP C[N@@H+](Cc1ccc(C#N)cc1)C1CC[NH+](Cc2ccncc2)CC1 ZINC000367117025 434541715 /nfs/dbraw/zinc/54/17/15/434541715.db2.gz KHYIUJTWRGPSLT-UHFFFAOYSA-N 2 2 320.440 3.050 20 30 DGEDLP C[C@@H]1C[N@@H+](C2CC[NH+](CCC3(C#N)CCCCC3)CC2)CCO1 ZINC000411193128 434741246 /nfs/dbraw/zinc/74/12/46/434741246.db2.gz SBJRGKJPHNYSPZ-QGZVFWFLSA-N 2 2 319.493 3.036 20 30 DGEDLP C[C@@H]1C[N@H+](C2CC[NH+](CCC3(C#N)CCCCC3)CC2)CCO1 ZINC000411193128 434741252 /nfs/dbraw/zinc/74/12/52/434741252.db2.gz SBJRGKJPHNYSPZ-QGZVFWFLSA-N 2 2 319.493 3.036 20 30 DGEDLP C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000643793974 435368890 /nfs/dbraw/zinc/36/88/90/435368890.db2.gz PSMRLSKWZBOPAQ-FHWLQOOXSA-N 2 2 314.473 3.220 20 30 DGEDLP C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000643793974 435368893 /nfs/dbraw/zinc/36/88/93/435368893.db2.gz PSMRLSKWZBOPAQ-FHWLQOOXSA-N 2 2 314.473 3.220 20 30 DGEDLP C=CCC(C)(C)C[NH2+]C[C@@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000572357222 435817299 /nfs/dbraw/zinc/81/72/99/435817299.db2.gz JTMOAONBJVWVBB-MRXNPFEDSA-N 2 2 315.461 3.206 20 30 DGEDLP C=CCOc1ccc(C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)cc1 ZINC000655858175 435847887 /nfs/dbraw/zinc/84/78/87/435847887.db2.gz YNSDINBYELMSSF-RBUKOAKNSA-N 2 2 300.446 3.358 20 30 DGEDLP C=CCOc1ccc(C[NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)cc1 ZINC000655858175 435847891 /nfs/dbraw/zinc/84/78/91/435847891.db2.gz YNSDINBYELMSSF-RBUKOAKNSA-N 2 2 300.446 3.358 20 30 DGEDLP C(#Cc1ccccc1)C[NH+]1CCC([NH2+]Cc2ccccc2)CC1 ZINC000660678604 435856651 /nfs/dbraw/zinc/85/66/51/435856651.db2.gz WNZDEKOMLZLISA-UHFFFAOYSA-N 2 2 304.437 3.292 20 30 DGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]C3(CF)CCC3)CC2)cc1 ZINC000572878430 435879294 /nfs/dbraw/zinc/87/92/94/435879294.db2.gz GECVAEMJJGIZEZ-UHFFFAOYSA-N 2 2 301.409 3.004 20 30 DGEDLP C[N@H+](CC1(C#N)CCC1)[C@@H]1CCC[NH+](CC2(C#N)CCC2)CC1 ZINC000574486069 332380152 /nfs/dbraw/zinc/38/01/52/332380152.db2.gz QWCVZZXUXJPROI-QGZVFWFLSA-N 2 2 314.477 3.160 20 30 DGEDLP C[N@@H+](CC1(C#N)CCC1)[C@@H]1CCC[NH+](CC2(C#N)CCC2)CC1 ZINC000574486069 332380154 /nfs/dbraw/zinc/38/01/54/332380154.db2.gz QWCVZZXUXJPROI-QGZVFWFLSA-N 2 2 314.477 3.160 20 30 DGEDLP C[NH+](CC1(C#N)CCC1)[C@@H]1CCC[N@H+](CC2(C#N)CCC2)CC1 ZINC000574486069 332380155 /nfs/dbraw/zinc/38/01/55/332380155.db2.gz QWCVZZXUXJPROI-QGZVFWFLSA-N 2 2 314.477 3.160 20 30 DGEDLP C[NH+](CC1(C#N)CCC1)[C@@H]1CCC[N@@H+](CC2(C#N)CCC2)CC1 ZINC000574486069 332380156 /nfs/dbraw/zinc/38/01/56/332380156.db2.gz QWCVZZXUXJPROI-QGZVFWFLSA-N 2 2 314.477 3.160 20 30 DGEDLP N#CC1(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)CC1 ZINC000347425579 534548983 /nfs/dbraw/zinc/54/89/83/534548983.db2.gz LCBYVVQUBMGYFX-RBUKOAKNSA-N 2 2 309.457 3.277 20 30 DGEDLP N#CC1(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)CC1 ZINC000347425579 534548994 /nfs/dbraw/zinc/54/89/94/534548994.db2.gz LCBYVVQUBMGYFX-RBUKOAKNSA-N 2 2 309.457 3.277 20 30 DGEDLP N#CC1(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)CC1 ZINC000347425579 534548996 /nfs/dbraw/zinc/54/89/96/534548996.db2.gz LCBYVVQUBMGYFX-RBUKOAKNSA-N 2 2 309.457 3.277 20 30 DGEDLP N#CC1(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)CC1 ZINC000347425579 534549001 /nfs/dbraw/zinc/54/90/01/534549001.db2.gz LCBYVVQUBMGYFX-RBUKOAKNSA-N 2 2 309.457 3.277 20 30 DGEDLP Cc1occc1C[NH+](C)CC#CC[N@@H+](C)Cc1ccoc1C ZINC000341830409 534566754 /nfs/dbraw/zinc/56/67/54/534566754.db2.gz GAYKIQUSKRKJIK-UHFFFAOYSA-N 2 2 300.402 3.057 20 30 DGEDLP Cc1occc1C[NH+](C)CC#CC[N@H+](C)Cc1ccoc1C ZINC000341830409 534566766 /nfs/dbraw/zinc/56/67/66/534566766.db2.gz GAYKIQUSKRKJIK-UHFFFAOYSA-N 2 2 300.402 3.057 20 30 DGEDLP N#C[C@H]1CC[C@@H]([NH2+]CC2([NH+]3CCSCC3)CCCCC2)C1 ZINC000442792734 534754799 /nfs/dbraw/zinc/75/47/99/534754799.db2.gz MZOXSBDXSGDOKU-JKSUJKDBSA-N 2 2 307.507 3.020 20 30 DGEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CCCOc3cc(F)ccc32)CC1 ZINC000182069284 526452420 /nfs/dbraw/zinc/45/24/20/526452420.db2.gz UHSNHOIBGVBFOK-QGZVFWFLSA-N 2 2 304.409 3.279 20 30 DGEDLP C=CC[NH+](CC=C)[C@@H](C[NH2+][C@H](C)C1CC[NH+](C)CC1)C(C)C ZINC000152073904 545999821 /nfs/dbraw/zinc/99/98/21/545999821.db2.gz RKAOSSXTWYAIAN-MJGOQNOKSA-N 3 2 307.526 3.005 20 30 DGEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2nc3c(s2)CCCC3)CC1 ZINC000678954345 548800941 /nfs/dbraw/zinc/80/09/41/548800941.db2.gz BUTILQUYMYORFR-UHFFFAOYSA-N 2 2 305.491 3.152 20 30 DGEDLP C=CC[C@H](C)[C@H](C)[NH2+][C@@]1(CO)CCC[N@H+](Cc2ccccc2)C1 ZINC000679044843 548822287 /nfs/dbraw/zinc/82/22/87/548822287.db2.gz REYNMIKYWGOUKX-BJLQDIEVSA-N 2 2 316.489 3.204 20 30 DGEDLP C=CC[C@H](C)[C@H](C)[NH2+][C@@]1(CO)CCC[N@@H+](Cc2ccccc2)C1 ZINC000679044843 548822288 /nfs/dbraw/zinc/82/22/88/548822288.db2.gz REYNMIKYWGOUKX-BJLQDIEVSA-N 2 2 316.489 3.204 20 30 DGEDLP C#CCOc1ccc(C[NH2+]C[C@H](C)[N@H+](C)Cc2ccccc2)cc1 ZINC000733328001 574616287 /nfs/dbraw/zinc/61/62/87/574616287.db2.gz IMINSLKNQRIKNH-SFHVURJKSA-N 2 2 322.452 3.309 20 30 DGEDLP C#CCOc1ccc(C[NH2+]C[C@H](C)[N@@H+](C)Cc2ccccc2)cc1 ZINC000733328001 574616288 /nfs/dbraw/zinc/61/62/88/574616288.db2.gz IMINSLKNQRIKNH-SFHVURJKSA-N 2 2 322.452 3.309 20 30 DGEDLP CC[C@@H]([NH2+]CC1(C)CC[NH+](C)CC1)c1cccc(C#N)c1O ZINC000926116061 617772005 /nfs/dbraw/zinc/77/20/05/617772005.db2.gz WQACNSXFSQZGFC-MRXNPFEDSA-N 2 2 301.434 3.036 20 30 DGEDLP C[C@H](C#N)Oc1ccc(C[NH+]2CCC([NH2+]C3CCC3)CC2)cc1 ZINC000897982053 619203080 /nfs/dbraw/zinc/20/30/80/619203080.db2.gz WDDOFSOTFPRBLF-OAHLLOKOSA-N 2 2 313.445 3.084 20 30 DGEDLP CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H](CC)c2cccc(C#N)c2O)C1 ZINC000924754028 619325455 /nfs/dbraw/zinc/32/54/55/619325455.db2.gz RVAVUIRYZZUGSN-YOEHRIQHSA-N 2 2 301.434 3.036 20 30 DGEDLP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](CC)c2cccc(C#N)c2O)C1 ZINC000924754028 619325458 /nfs/dbraw/zinc/32/54/58/619325458.db2.gz RVAVUIRYZZUGSN-YOEHRIQHSA-N 2 2 301.434 3.036 20 30 DGEDLP C[C@@H]([NH2+]CCC[N@H+](C)Cc1ccccc1)c1cc(C#N)ccn1 ZINC000902729344 619666752 /nfs/dbraw/zinc/66/67/52/619666752.db2.gz HUOFKLQIALFADU-MRXNPFEDSA-N 2 2 308.429 3.126 20 30 DGEDLP C[C@@H]([NH2+]CCC[N@@H+](C)Cc1ccccc1)c1cc(C#N)ccn1 ZINC000902729344 619666753 /nfs/dbraw/zinc/66/67/53/619666753.db2.gz HUOFKLQIALFADU-MRXNPFEDSA-N 2 2 308.429 3.126 20 30 DGEDLP C=CC[NH+]1CCC([NH2+][C@H](C)c2cccc(-n3ccnc3)c2)CC1 ZINC000902795728 619677605 /nfs/dbraw/zinc/67/76/05/619677605.db2.gz JEVWOYAULOUCPD-MRXNPFEDSA-N 2 2 310.445 3.173 20 30 DGEDLP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)c2cnn(CC3CCC3)c2)CC1 ZINC000903091951 619718730 /nfs/dbraw/zinc/71/87/30/619718730.db2.gz DMNLWERTNYUDSN-INIZCTEOSA-N 2 2 316.493 3.374 20 30 DGEDLP C[C@@H]([NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1)c1cccc(C#N)c1O ZINC000866215405 622067978 /nfs/dbraw/zinc/06/79/78/622067978.db2.gz LOLGACSFHNREON-GFCCVEGCSA-N 2 2 301.434 3.224 20 30 DGEDLP C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@H](C)C1)c1cccc(C#N)c1O ZINC000866234418 622071747 /nfs/dbraw/zinc/07/17/47/622071747.db2.gz SHSQWRJVMRFZTE-JKSUJKDBSA-N 2 2 315.461 3.427 20 30 DGEDLP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@H](C)C1)c1cccc(C#N)c1O ZINC000866234418 622071750 /nfs/dbraw/zinc/07/17/50/622071750.db2.gz SHSQWRJVMRFZTE-JKSUJKDBSA-N 2 2 315.461 3.427 20 30 DGEDLP C[C@@H]([NH2+]C[C@H](C)C[NH+]1CCCCC1)c1cccc(C#N)c1O ZINC000866237472 622072720 /nfs/dbraw/zinc/07/27/20/622072720.db2.gz DGSRAPALDUCJAA-LSDHHAIUSA-N 2 2 301.434 3.036 20 30 DGEDLP C[C@@H]([NH2+]C1CC[NH+](C2CCCC2)CC1)c1cccc(C#N)c1O ZINC000866279475 622083817 /nfs/dbraw/zinc/08/38/17/622083817.db2.gz UYXWZIGQBBRBSS-CQSZACIVSA-N 2 2 313.445 3.321 20 30 DGEDLP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2cccc(C#N)c2O)C1 ZINC000866308024 622090123 /nfs/dbraw/zinc/09/01/23/622090123.db2.gz OQVXLOGVVGONDA-HOTGVXAUSA-N 2 2 315.461 3.282 20 30 DGEDLP CC[C@@H](CC#N)[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000762795156 622098891 /nfs/dbraw/zinc/09/88/91/622098891.db2.gz QPFPQHQTNPMKSH-HNNXBMFYSA-N 2 2 300.450 3.003 20 30 DGEDLP C[C@H]([NH2+]CC(C)(C)C[NH+]1CCCC1)c1cccc(C#N)c1O ZINC000866346638 622099251 /nfs/dbraw/zinc/09/92/51/622099251.db2.gz MOMHDEYDLBLBKB-AWEZNQCLSA-N 2 2 301.434 3.036 20 30 DGEDLP C#C[C@H]([NH2+][C@@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1)[C@@H]1CCCO1 ZINC000877415704 623874925 /nfs/dbraw/zinc/87/49/25/623874925.db2.gz DDIWHRDHBHHPLI-PMXSJFBMSA-N 2 2 324.468 3.125 20 30 DGEDLP C#C[C@H]([NH2+][C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1)[C@@H]1CCCO1 ZINC000877415704 623874938 /nfs/dbraw/zinc/87/49/38/623874938.db2.gz DDIWHRDHBHHPLI-PMXSJFBMSA-N 2 2 324.468 3.125 20 30 DGEDLP C=CCC[C@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)[C@H]1CCCO1 ZINC000883177360 625955451 /nfs/dbraw/zinc/95/54/51/625955451.db2.gz YSIMSQYCARSKTI-PKOBYXMFSA-N 2 2 311.429 3.476 20 30 DGEDLP C#CCOc1cccc(Cl)c1C[N@H+](C)CCCn1cc[nH+]c1 ZINC000809753298 626946554 /nfs/dbraw/zinc/94/65/54/626946554.db2.gz PUYPQOWVBRHQPW-UHFFFAOYSA-N 2 2 317.820 3.071 20 30 DGEDLP C#CCOc1cccc(Cl)c1C[N@@H+](C)CCCn1cc[nH+]c1 ZINC000809753298 626946556 /nfs/dbraw/zinc/94/65/56/626946556.db2.gz PUYPQOWVBRHQPW-UHFFFAOYSA-N 2 2 317.820 3.071 20 30 DGEDLP C#CC[N@H+](C)CCC[NH2+][C@H]1CCCOc2ccc(Cl)cc21 ZINC000815651922 627695079 /nfs/dbraw/zinc/69/50/79/627695079.db2.gz IVQRXKGODNQZAY-INIZCTEOSA-N 2 2 306.837 3.098 20 30 DGEDLP C#CC[N@@H+](C)CCC[NH2+][C@H]1CCCOc2ccc(Cl)cc21 ZINC000815651922 627695080 /nfs/dbraw/zinc/69/50/80/627695080.db2.gz IVQRXKGODNQZAY-INIZCTEOSA-N 2 2 306.837 3.098 20 30 DGEDLP CC[C@@H]([NH2+]CC1CC[NH+](C2CC2)CC1)c1cccc(C#N)c1O ZINC000926309787 627877904 /nfs/dbraw/zinc/87/79/04/627877904.db2.gz RSKLIIRPOSEQCJ-GOSISDBHSA-N 2 2 313.445 3.179 20 30 DGEDLP C[C@@H]([NH2+]C1CCC(C)([NH+]2CCC2)CC1)c1cccc(C#N)c1O ZINC000927036160 628001012 /nfs/dbraw/zinc/00/10/12/628001012.db2.gz FFJOZIRJYSHRJI-ICXUMSERSA-N 2 2 313.445 3.321 20 30 DGEDLP C=CC[NH+]1CCC([NH2+][C@H](C)c2cccc(C[NH+](C)C)c2)CC1 ZINC000820810253 628299159 /nfs/dbraw/zinc/29/91/59/628299159.db2.gz SPDMEASSIDFZBR-MRXNPFEDSA-N 3 2 301.478 3.049 20 30 DGEDLP C#CC[N@H+](C)CCC[NH2+]Cc1ccc(-c2ccccc2F)o1 ZINC000821215633 628347514 /nfs/dbraw/zinc/34/75/14/628347514.db2.gz WRRMEMCVSHMGAL-UHFFFAOYSA-N 2 2 300.377 3.130 20 30 DGEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1ccc(-c2ccccc2F)o1 ZINC000821215633 628347515 /nfs/dbraw/zinc/34/75/15/628347515.db2.gz WRRMEMCVSHMGAL-UHFFFAOYSA-N 2 2 300.377 3.130 20 30 DGEDLP C#CCCOc1ccc(C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)cc1 ZINC000848575429 631701127 /nfs/dbraw/zinc/70/11/27/631701127.db2.gz QOLBLKXVACLCDO-VQTJNVASSA-N 2 2 312.457 3.195 20 30 DGEDLP C#CCCOc1ccc(C[NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)cc1 ZINC000848575429 631701130 /nfs/dbraw/zinc/70/11/30/631701130.db2.gz QOLBLKXVACLCDO-VQTJNVASSA-N 2 2 312.457 3.195 20 30 DGEDLP C=C(C)C[NH2+][C@H]1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)C[C@H]1C ZINC001036114877 660875852 /nfs/dbraw/zinc/87/58/52/660875852.db2.gz IPETVQNKPYIZQB-PBHICJAKSA-N 2 2 315.461 3.023 20 30 DGEDLP CC(C)(C)NC(=[NH2+])NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000303877782 657570234 /nfs/dbraw/zinc/57/02/34/657570234.db2.gz FPXAOMOWNRWIJP-HNNXBMFYSA-N 2 2 322.884 3.180 20 30 DGEDLP Cc1cc(C)cc(NC(=[NH2+])NC[C@H](c2ccccc2)[NH+](C)C)c1 ZINC000303692625 657692190 /nfs/dbraw/zinc/69/21/90/657692190.db2.gz BMLOXVXFRKPUQV-GOSISDBHSA-N 2 2 310.445 3.333 20 30 DGEDLP C#CCOc1ccc([C@@H](C)[NH2+]CCCNc2cccc[nH+]2)cc1 ZINC000163809615 658900563 /nfs/dbraw/zinc/90/05/63/658900563.db2.gz NPBBFKWZHVPGMG-MRXNPFEDSA-N 2 2 309.413 3.246 20 30 DGEDLP N#Cc1cc(Cl)cc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)c1 ZINC000929803259 661340087 /nfs/dbraw/zinc/34/00/87/661340087.db2.gz FSEVILNPWKHJIP-UHFFFAOYSA-N 2 2 300.793 3.314 20 30 DGEDLP C[C@H]1CCCC[C@@]1(C[NH3+])[NH2+]Cc1ccc(C#N)cc1OC(F)F ZINC001576690563 1191863725 /nfs/dbraw/zinc/86/37/25/1191863725.db2.gz KUJCVSPIROAQEE-SJCJKPOMSA-N 2 2 323.387 3.157 20 30 DGEDLP N#Cc1ccc(C[NH2+][C@@H](Cn2cc[nH+]c2)c2ccccc2)cc1 ZINC001460697857 1182709549 /nfs/dbraw/zinc/70/95/49/1182709549.db2.gz XTSMVGSJMULIJG-IBGZPJMESA-N 2 2 302.381 3.286 20 30 DGEDLP C=CCC[C@@H]1CCC[N@@H+]1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC001473857568 1183813436 /nfs/dbraw/zinc/81/34/36/1183813436.db2.gz WSOZQWZXLJPWTR-HXUWFJFHSA-N 2 2 314.473 3.449 20 30 DGEDLP C=CCC[C@@H]1CCC[N@H+]1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC001473857568 1183813443 /nfs/dbraw/zinc/81/34/43/1183813443.db2.gz WSOZQWZXLJPWTR-HXUWFJFHSA-N 2 2 314.473 3.449 20 30 DGEDLP C=CC[NH+]1CCC([NH2+]Cc2cc(C)ccc2OC(F)F)CC1 ZINC001473981617 1183842446 /nfs/dbraw/zinc/84/24/46/1183842446.db2.gz MAFPSAIWQUDKPM-UHFFFAOYSA-N 2 2 310.388 3.336 20 30 DGEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1cc(-c2ccccc2)ccc1OC ZINC001474164904 1183876334 /nfs/dbraw/zinc/87/63/34/1183876334.db2.gz UPHDMVWLLMUSBO-UHFFFAOYSA-N 2 2 322.452 3.407 20 30 DGEDLP C#CC[N@H+](C)CCC[NH2+]Cc1cc(-c2ccccc2)ccc1OC ZINC001474164904 1183876336 /nfs/dbraw/zinc/87/63/36/1183876336.db2.gz UPHDMVWLLMUSBO-UHFFFAOYSA-N 2 2 322.452 3.407 20 30 DGEDLP N#Cc1ccc(CC[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC001474207809 1183883473 /nfs/dbraw/zinc/88/34/73/1183883473.db2.gz GMMFHVZMVJRIHR-UHFFFAOYSA-N 2 2 302.381 3.076 20 30 DGEDLP C=CCC[C@@H](C)[NH2+]CC[C@H](C)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001568647313 1190573468 /nfs/dbraw/zinc/57/34/68/1190573468.db2.gz XXFLWUHUTCKBSA-KGLIPLIRSA-N 2 2 314.433 3.016 20 30 DGEDLP CC1(C)[C@H]([NH2+]CC#Cc2ccccc2Cl)[C@H]2CCC[NH2+][C@@H]21 ZINC001576379988 1191577423 /nfs/dbraw/zinc/57/74/23/1191577423.db2.gz FFUBRQLSQUQNGW-OIISXLGYSA-N 2 2 302.849 3.058 20 30 DGEDLP C=CC[NH+]1CCC([NH2+]Cc2cccc(-c3ccccn3)c2)CC1 ZINC001655529299 1195928307 /nfs/dbraw/zinc/92/83/07/1195928307.db2.gz SOCBVLYYLDYTTH-UHFFFAOYSA-N 2 2 307.441 3.489 20 30 DGEDLP C=CCCC[N@@H+](CC)CCNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001663403492 1196857520 /nfs/dbraw/zinc/85/75/20/1196857520.db2.gz HVVAJEJFQMHJGC-UHFFFAOYSA-N 2 2 303.450 3.025 20 30 DGEDLP C=CCCC[N@H+](CC)CCNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001663403492 1196857526 /nfs/dbraw/zinc/85/75/26/1196857526.db2.gz HVVAJEJFQMHJGC-UHFFFAOYSA-N 2 2 303.450 3.025 20 30 DGEDLP C=C(C)C[NH2+]CC(C)(C)CN(C)C(=O)c1c(C)cc(C)[nH+]c1C ZINC001755283157 1200761402 /nfs/dbraw/zinc/76/14/02/1200761402.db2.gz HXOQQNXTWSOWER-UHFFFAOYSA-N 2 2 317.477 3.271 20 30 DGEDLP C=CCC[C@H](C)[NH2+]C[C@H](C)N(C)C(=O)c1c(C)cc(C)[nH+]c1C ZINC001753704147 1202317347 /nfs/dbraw/zinc/31/73/47/1202317347.db2.gz WAUOBDVCCDWYJT-HOCLYGCPSA-N 2 2 317.477 3.412 20 30 DGEDLP C=CC[NH2+][C@H](CCN(C)C(=O)c1c(C)cc(C)[nH+]c1C)C(C)C ZINC001725209918 1204119507 /nfs/dbraw/zinc/11/95/07/1204119507.db2.gz CDVRRUWARXWULV-QGZVFWFLSA-N 2 2 317.477 3.269 20 30 DGEDLP C=CCC[C@@H](C)[NH2+][C@@H](CC)CNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001732213098 1204752488 /nfs/dbraw/zinc/75/24/88/1204752488.db2.gz YJHKOHPICJRZTR-PBHICJAKSA-N 2 2 317.477 3.460 20 30 DGEDLP C=C(C)CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001134736325 1083325869 /nfs/dbraw/zinc/32/58/69/1083325869.db2.gz CKCZRYUZIKKALL-UONOGXRCSA-N 2 2 314.433 3.016 20 30 DGEDLP N#CCc1cc[nH+]c(N[C@H](c2cccc(F)c2)C2CC[NH2+]CC2)c1 ZINC001161821774 1089424550 /nfs/dbraw/zinc/42/45/50/1089424550.db2.gz FBVANKIIICAVJT-IBGZPJMESA-N 2 2 324.403 3.440 20 30 DGEDLP CCCCCCC[N@H+](CC)[C@H](C)CNC(=O)Cc1[nH]c[nH+]c1C ZINC001156623568 1089614827 /nfs/dbraw/zinc/61/48/27/1089614827.db2.gz LEOWYKPJVAYKDV-OAHLLOKOSA-N 2 2 322.497 3.058 20 30 DGEDLP CCCCCCC[N@@H+](CC)[C@H](C)CNC(=O)Cc1[nH]c[nH+]c1C ZINC001156623568 1089614834 /nfs/dbraw/zinc/61/48/34/1089614834.db2.gz LEOWYKPJVAYKDV-OAHLLOKOSA-N 2 2 322.497 3.058 20 30 DGEDLP C[C@@H]1C[NH2+]CC[N@H+](Cc2ccc(Oc3ccc(C#N)cc3)cc2)C1 ZINC001206276306 1091560026 /nfs/dbraw/zinc/56/00/26/1091560026.db2.gz DXZDEWOKLYHAFX-MRXNPFEDSA-N 2 2 321.424 3.392 20 30 DGEDLP C[C@@H]1C[NH2+]CC[N@@H+](Cc2ccc(Oc3ccc(C#N)cc3)cc2)C1 ZINC001206276306 1091560036 /nfs/dbraw/zinc/56/00/36/1091560036.db2.gz DXZDEWOKLYHAFX-MRXNPFEDSA-N 2 2 321.424 3.392 20 30 DGEDLP C=CCn1cc(C[N@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)cn1 ZINC001139772712 1091668440 /nfs/dbraw/zinc/66/84/40/1091668440.db2.gz PSOAWQPWDPUMNG-IBGZPJMESA-N 2 2 324.472 3.023 20 30 DGEDLP C=CCn1cc(C[N@@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)cn1 ZINC001139772712 1091668444 /nfs/dbraw/zinc/66/84/44/1091668444.db2.gz PSOAWQPWDPUMNG-IBGZPJMESA-N 2 2 324.472 3.023 20 30 DGEDLP C=CCn1cc(C[NH+](C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)cn1 ZINC001139772712 1091668451 /nfs/dbraw/zinc/66/84/51/1091668451.db2.gz PSOAWQPWDPUMNG-IBGZPJMESA-N 2 2 324.472 3.023 20 30 DGEDLP C=CCn1cc(C[NH+](C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC001139772712 1091668458 /nfs/dbraw/zinc/66/84/58/1091668458.db2.gz PSOAWQPWDPUMNG-IBGZPJMESA-N 2 2 324.472 3.023 20 30 DGEDLP C[N@H+](C1CC1)C1CC[NH+](Cc2c[nH]c3cc(C#N)ccc23)CC1 ZINC001142926199 1092588196 /nfs/dbraw/zinc/58/81/96/1092588196.db2.gz MPRQXTLUMBJMEJ-UHFFFAOYSA-N 2 2 308.429 3.098 20 30 DGEDLP C[N@@H+](C1CC1)C1CC[NH+](Cc2c[nH]c3cc(C#N)ccc23)CC1 ZINC001142926199 1092588207 /nfs/dbraw/zinc/58/82/07/1092588207.db2.gz MPRQXTLUMBJMEJ-UHFFFAOYSA-N 2 2 308.429 3.098 20 30 DGEDLP C=C(C)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1c(C)cc(C)[nH+]c1C ZINC001135042680 1094373281 /nfs/dbraw/zinc/37/32/81/1094373281.db2.gz CDDGAWYFNLRUNC-DZGCQCFKSA-N 2 2 303.450 3.069 20 30 DGEDLP C=C(C)CC[NH2+][C@H](C)C[C@H](C)NC(=O)c1c(C)cc(C)[nH+]c1C ZINC001135042954 1094373385 /nfs/dbraw/zinc/37/33/85/1094373385.db2.gz DZSFXQLPVNUHOE-ZBFHGGJFSA-N 2 2 317.477 3.460 20 30 DGEDLP C[C@H](Cc1cccc(C#N)c1)[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC001171189296 1095673035 /nfs/dbraw/zinc/67/30/35/1095673035.db2.gz COQIPPHEFPUEFM-MRXNPFEDSA-N 2 2 320.440 3.143 20 30 DGEDLP C#Cc1ccc(C[N@@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC001144579005 1095714987 /nfs/dbraw/zinc/71/49/87/1095714987.db2.gz VLOUPCNOGAFIRL-UHFFFAOYSA-N 2 2 301.393 3.486 20 30 DGEDLP C#Cc1ccc(C[N@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC001144579005 1095714995 /nfs/dbraw/zinc/71/49/95/1095714995.db2.gz VLOUPCNOGAFIRL-UHFFFAOYSA-N 2 2 301.393 3.486 20 30 DGEDLP C[N@@H+]1CCC[C@@]2(CCC[NH+](Cc3cc4ccc(C#N)cc4[nH]3)C2)C1 ZINC001277454459 1097482765 /nfs/dbraw/zinc/48/27/65/1097482765.db2.gz SDFGXLKKHUUQER-HXUWFJFHSA-N 2 2 322.456 3.347 20 30 DGEDLP C[N@H+]1CCC[C@@]2(CCC[NH+](Cc3cc4ccc(C#N)cc4[nH]3)C2)C1 ZINC001277454459 1097482769 /nfs/dbraw/zinc/48/27/69/1097482769.db2.gz SDFGXLKKHUUQER-HXUWFJFHSA-N 2 2 322.456 3.347 20 30 DGEDLP C[NH+]1CCC[C@@]2(CCC[N@H+](Cc3cc4ccc(C#N)cc4[nH]3)C2)C1 ZINC001277454459 1097482771 /nfs/dbraw/zinc/48/27/71/1097482771.db2.gz SDFGXLKKHUUQER-HXUWFJFHSA-N 2 2 322.456 3.347 20 30 DGEDLP C[NH+]1CCC[C@@]2(CCC[N@@H+](Cc3cc4ccc(C#N)cc4[nH]3)C2)C1 ZINC001277454459 1097482774 /nfs/dbraw/zinc/48/27/74/1097482774.db2.gz SDFGXLKKHUUQER-HXUWFJFHSA-N 2 2 322.456 3.347 20 30 DGEDLP CCCC[NH+]1CCC([N@H+](C)Cc2ccc(C#N)cc2OC)CC1 ZINC001231622290 1097795032 /nfs/dbraw/zinc/79/50/32/1097795032.db2.gz SZTPMVVNJQPDBS-UHFFFAOYSA-N 2 2 315.461 3.263 20 30 DGEDLP CCCC[NH+]1CCC([N@@H+](C)Cc2ccc(C#N)cc2OC)CC1 ZINC001231622290 1097795035 /nfs/dbraw/zinc/79/50/35/1097795035.db2.gz SZTPMVVNJQPDBS-UHFFFAOYSA-N 2 2 315.461 3.263 20 30 DGEDLP CCCCCCC[NH2+]CCCC[C@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001175462723 1098052564 /nfs/dbraw/zinc/05/25/64/1098052564.db2.gz VTJZOPCJJZDJGX-INIZCTEOSA-N 2 2 322.497 3.187 20 30 DGEDLP C[N@H+](Cc1cc(C#N)ccn1)C1CC[NH+](C2CCCCC2)CC1 ZINC001232481545 1098053460 /nfs/dbraw/zinc/05/34/60/1098053460.db2.gz GASLXPATMALENX-UHFFFAOYSA-N 2 2 312.461 3.182 20 30 DGEDLP C[N@@H+](Cc1cc(C#N)ccn1)C1CC[NH+](C2CCCCC2)CC1 ZINC001232481545 1098053466 /nfs/dbraw/zinc/05/34/66/1098053466.db2.gz GASLXPATMALENX-UHFFFAOYSA-N 2 2 312.461 3.182 20 30 DGEDLP N#Cc1ccc(C[N@@H+]2CCCC[C@H]2CC[NH+]2CCCC2)s1 ZINC001232844314 1098150193 /nfs/dbraw/zinc/15/01/93/1098150193.db2.gz YVXQFMSZGMEEIT-HNNXBMFYSA-N 2 2 303.475 3.460 20 30 DGEDLP N#Cc1ccc(C[N@H+]2CCCC[C@H]2CC[NH+]2CCCC2)s1 ZINC001232844314 1098150196 /nfs/dbraw/zinc/15/01/96/1098150196.db2.gz YVXQFMSZGMEEIT-HNNXBMFYSA-N 2 2 303.475 3.460 20 30 DGEDLP C=CCCC[NH2+]CCCCCCNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001179705447 1099179099 /nfs/dbraw/zinc/17/90/99/1099179099.db2.gz FAFIFPQXPYDQPO-QGZVFWFLSA-N 2 2 320.481 3.067 20 30 DGEDLP C[N@H+](Cc1ccc(C#N)c(Br)c1)[C@@H]1CCCC[C@H]1[NH3+] ZINC001236219890 1099478622 /nfs/dbraw/zinc/47/86/22/1099478622.db2.gz YCBHISQRHCMPKY-HUUCEWRRSA-N 2 2 322.250 3.022 20 30 DGEDLP C[N@@H+](Cc1ccc(C#N)c(Br)c1)[C@@H]1CCCC[C@H]1[NH3+] ZINC001236219890 1099478626 /nfs/dbraw/zinc/47/86/26/1099478626.db2.gz YCBHISQRHCMPKY-HUUCEWRRSA-N 2 2 322.250 3.022 20 30 DGEDLP CC(C)C[N@H+](Cc1ccc(C#N)c(Cl)c1)[C@@H]1CCC[NH2+]C1 ZINC001236474704 1099633089 /nfs/dbraw/zinc/63/30/89/1099633089.db2.gz LXEGQLVKXSMWTR-MRXNPFEDSA-N 2 2 305.853 3.422 20 30 DGEDLP CC(C)C[N@@H+](Cc1ccc(C#N)c(Cl)c1)[C@@H]1CCC[NH2+]C1 ZINC001236474704 1099633091 /nfs/dbraw/zinc/63/30/91/1099633091.db2.gz LXEGQLVKXSMWTR-MRXNPFEDSA-N 2 2 305.853 3.422 20 30 DGEDLP CCCCCCCC[N@H+](C1CC[NH2+]CC1)C1CC[NH+](C)CC1 ZINC001237037145 1099935983 /nfs/dbraw/zinc/93/59/83/1099935983.db2.gz GHRFCURFMHPIET-UHFFFAOYSA-N 3 2 309.542 3.495 20 30 DGEDLP CCCCCCCC[N@@H+](C1CC[NH2+]CC1)C1CC[NH+](C)CC1 ZINC001237037145 1099935991 /nfs/dbraw/zinc/93/59/91/1099935991.db2.gz GHRFCURFMHPIET-UHFFFAOYSA-N 3 2 309.542 3.495 20 30 DGEDLP N#Cc1ccc(/C=C/c2ccccc2C[N@H+]2CC[C@@H]([NH3+])C2)cc1 ZINC001239304468 1100626304 /nfs/dbraw/zinc/62/63/04/1100626304.db2.gz RZTJGBLJYCVTJH-SQUSKLHYSA-N 2 2 303.409 3.262 20 30 DGEDLP N#Cc1ccc(/C=C/c2ccccc2C[N@@H+]2CC[C@@H]([NH3+])C2)cc1 ZINC001239304468 1100626306 /nfs/dbraw/zinc/62/63/06/1100626306.db2.gz RZTJGBLJYCVTJH-SQUSKLHYSA-N 2 2 303.409 3.262 20 30 DGEDLP N#Cc1c(F)cc(-c2cccc(C[N@H+]3CC[C@H]([NH3+])C3)c2)cc1F ZINC001239931023 1100802351 /nfs/dbraw/zinc/80/23/51/1100802351.db2.gz LILHVARKFGRAIO-HNNXBMFYSA-N 2 2 313.351 3.036 20 30 DGEDLP N#Cc1c(F)cc(-c2cccc(C[N@@H+]3CC[C@H]([NH3+])C3)c2)cc1F ZINC001239931023 1100802357 /nfs/dbraw/zinc/80/23/57/1100802357.db2.gz LILHVARKFGRAIO-HNNXBMFYSA-N 2 2 313.351 3.036 20 30 DGEDLP CN(C)/C=[NH+]/c1ccc(-c2ccc3c(c2)CC[NH2+]C3)cc1C#N ZINC001240457091 1101004287 /nfs/dbraw/zinc/00/42/87/1101004287.db2.gz NJRXLTGFWVPTBZ-LPYMAVHISA-N 2 2 304.397 3.092 20 30 DGEDLP CCCCCCC[C@H](CC)[N@@H+]1CC[C@]2(C(=O)OC)CC[NH2+][C@H]2C1 ZINC001246986243 1104764192 /nfs/dbraw/zinc/76/41/92/1104764192.db2.gz JTNLHPDNGDNBLF-JENIJYKNSA-N 2 2 324.509 3.353 20 30 DGEDLP CCCCCCC[C@H](CC)[N@H+]1CC[C@]2(C(=O)OC)CC[NH2+][C@H]2C1 ZINC001246986243 1104764197 /nfs/dbraw/zinc/76/41/97/1104764197.db2.gz JTNLHPDNGDNBLF-JENIJYKNSA-N 2 2 324.509 3.353 20 30 DGEDLP C=CCCCCC[N@@H+]1CCC[C@]2(CC[NH+](Cc3cn[nH]c3)C2)C1 ZINC001276037011 1104993499 /nfs/dbraw/zinc/99/34/99/1104993499.db2.gz XYRVFHBVLXYJKO-IBGZPJMESA-N 2 2 316.493 3.444 20 30 DGEDLP C=CCCCCC[N@H+]1CCC[C@]2(CC[NH+](Cc3cn[nH]c3)C2)C1 ZINC001276037011 1104993503 /nfs/dbraw/zinc/99/35/03/1104993503.db2.gz XYRVFHBVLXYJKO-IBGZPJMESA-N 2 2 316.493 3.444 20 30 DGEDLP C=CCCCCC[NH+]1CCC[C@]2(CC[N@H+](Cc3cn[nH]c3)C2)C1 ZINC001276037011 1104993508 /nfs/dbraw/zinc/99/35/08/1104993508.db2.gz XYRVFHBVLXYJKO-IBGZPJMESA-N 2 2 316.493 3.444 20 30 DGEDLP C=CCCCCC[NH+]1CCC[C@]2(CC[N@@H+](Cc3cn[nH]c3)C2)C1 ZINC001276037011 1104993514 /nfs/dbraw/zinc/99/35/14/1104993514.db2.gz XYRVFHBVLXYJKO-IBGZPJMESA-N 2 2 316.493 3.444 20 30 DGEDLP C=C[C@@H]([NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC001252950853 1105859319 /nfs/dbraw/zinc/85/93/19/1105859319.db2.gz HMSPLDZTXQZQGX-NHCUHLMSSA-N 2 2 322.452 3.140 20 30 DGEDLP C=C[C@@H]([NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC001252950853 1105859326 /nfs/dbraw/zinc/85/93/26/1105859326.db2.gz HMSPLDZTXQZQGX-NHCUHLMSSA-N 2 2 322.452 3.140 20 30 DGEDLP Cc1cccc(NC[C@@H]2CCC[N@@H+]2Cc2ccccc2C#N)[nH+]1 ZINC001253433516 1105939119 /nfs/dbraw/zinc/93/91/19/1105939119.db2.gz JPMYRQWBIKQKIK-SFHVURJKSA-N 2 2 306.413 3.338 20 30 DGEDLP Cc1cccc(NC[C@@H]2CCC[N@H+]2Cc2ccccc2C#N)[nH+]1 ZINC001253433516 1105939121 /nfs/dbraw/zinc/93/91/21/1105939121.db2.gz JPMYRQWBIKQKIK-SFHVURJKSA-N 2 2 306.413 3.338 20 30 DGEDLP C[C@]1(C#N)CC[N@@H+]([C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001255151324 1106190630 /nfs/dbraw/zinc/19/06/30/1106190630.db2.gz WUAWHHICMUPHCW-IYWMVGAKSA-N 2 2 309.457 3.418 20 30 DGEDLP C[C@]1(C#N)CC[N@H+]([C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001255151324 1106190634 /nfs/dbraw/zinc/19/06/34/1106190634.db2.gz WUAWHHICMUPHCW-IYWMVGAKSA-N 2 2 309.457 3.418 20 30 DGEDLP C[C@]1(C#N)CC[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001255151324 1106190636 /nfs/dbraw/zinc/19/06/36/1106190636.db2.gz WUAWHHICMUPHCW-IYWMVGAKSA-N 2 2 309.457 3.418 20 30 DGEDLP C[C@]1(C#N)CC[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001255151324 1106190639 /nfs/dbraw/zinc/19/06/39/1106190639.db2.gz WUAWHHICMUPHCW-IYWMVGAKSA-N 2 2 309.457 3.418 20 30 DGEDLP C[C@@H]1C[C@@H]([NH2+]Cc2cc(C#N)co2)CC[N@@H+]1Cc1ccccc1 ZINC001256535038 1106435384 /nfs/dbraw/zinc/43/53/84/1106435384.db2.gz CCYPJRNBKUIXPP-QAPCUYQASA-N 2 2 309.413 3.294 20 30 DGEDLP C[C@@H]1C[C@@H]([NH2+]Cc2cc(C#N)co2)CC[N@H+]1Cc1ccccc1 ZINC001256535038 1106435386 /nfs/dbraw/zinc/43/53/86/1106435386.db2.gz CCYPJRNBKUIXPP-QAPCUYQASA-N 2 2 309.413 3.294 20 30 DGEDLP C[NH+]1CCN(c2cccc(Cl)c2C=[NH+]OC(C)(C)C)CC1 ZINC001323131902 1107847130 /nfs/dbraw/zinc/84/71/30/1107847130.db2.gz NNUANVQZXPHMRF-UHFFFAOYSA-N 2 2 309.841 3.241 20 30 DGEDLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)c1cccc(C#N)c1C ZINC001325216509 1108597388 /nfs/dbraw/zinc/59/73/88/1108597388.db2.gz BQOBNDKAQDWKAJ-UHFFFAOYSA-N 2 2 317.352 3.008 20 30 DGEDLP Cc1cc(C#N)cc(C)c1C[NH+]1CCC(c2c[nH+]cn2C)CC1 ZINC001308168254 1111389378 /nfs/dbraw/zinc/38/93/78/1111389378.db2.gz OKBYUUHLNQLJBD-UHFFFAOYSA-N 2 2 308.429 3.288 20 30 DGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]Cc3ccccc3)CC2)cc1 ZINC000181396125 199289807 /nfs/dbraw/zinc/28/98/07/199289807.db2.gz HCVVTCXJDJFDNE-UHFFFAOYSA-N 2 2 305.425 3.312 20 30 DGEDLP C[NH+](C)[C@@H]1CCC[N@H+](Cc2ccc(C#N)cc2OC(F)F)CC1 ZINC000429543878 238054052 /nfs/dbraw/zinc/05/40/52/238054052.db2.gz WCPZAWBJBFRHKT-OAHLLOKOSA-N 2 2 323.387 3.076 20 30 DGEDLP C[NH+](C)[C@@H]1CCC[N@@H+](Cc2ccc(C#N)cc2OC(F)F)CC1 ZINC000429543878 238054053 /nfs/dbraw/zinc/05/40/53/238054053.db2.gz WCPZAWBJBFRHKT-OAHLLOKOSA-N 2 2 323.387 3.076 20 30 DGEDLP Cc1cc(C[NH2+]Cc2ccccc2-n2cc[nH+]c2)ccc1C#N ZINC000443967920 239243742 /nfs/dbraw/zinc/24/37/42/239243742.db2.gz DTARZYIVTNJAQB-UHFFFAOYSA-N 2 2 302.381 3.342 20 30 DGEDLP C[C@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000249260198 285065258 /nfs/dbraw/zinc/06/52/58/285065258.db2.gz HQFIRUMFZAIZDP-WBVHZDCISA-N 2 2 308.429 3.307 20 30 DGEDLP C[N@H+](CCC[NH+]1CCCC1)Cc1ccc(C#N)cc1OC(F)F ZINC000337225801 253065519 /nfs/dbraw/zinc/06/55/19/253065519.db2.gz OUUYLKPZLSFHLT-UHFFFAOYSA-N 2 2 323.387 3.077 20 30 DGEDLP C[N@@H+](CCC[NH+]1CCCC1)Cc1ccc(C#N)cc1OC(F)F ZINC000337225801 253065526 /nfs/dbraw/zinc/06/55/26/253065526.db2.gz OUUYLKPZLSFHLT-UHFFFAOYSA-N 2 2 323.387 3.077 20 30 DGEDLP N#Cc1c(C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)cn2ccccc12 ZINC000157298230 197177038 /nfs/dbraw/zinc/17/70/38/197177038.db2.gz PVFYXXYAIJBTIP-GOSISDBHSA-N 2 2 322.456 3.261 20 30 DGEDLP N#Cc1c(C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)cn2ccccc12 ZINC000157298230 197177039 /nfs/dbraw/zinc/17/70/39/197177039.db2.gz PVFYXXYAIJBTIP-GOSISDBHSA-N 2 2 322.456 3.261 20 30 DGEDLP N#Cc1ccc(C[NH2+]C[C@H]2CCC[N@@H+]2Cc2ccccc2)c(F)c1 ZINC000344406140 254266908 /nfs/dbraw/zinc/26/69/08/254266908.db2.gz BJGZTNJMZQOEFQ-LJQANCHMSA-N 2 2 323.415 3.452 20 30 DGEDLP N#Cc1ccc(C[NH2+]C[C@H]2CCC[N@H+]2Cc2ccccc2)c(F)c1 ZINC000344406140 254266909 /nfs/dbraw/zinc/26/69/09/254266909.db2.gz BJGZTNJMZQOEFQ-LJQANCHMSA-N 2 2 323.415 3.452 20 30 DGEDLP C[NH+](CCC[N@@H+](C)CCc1ccc(C#N)cc1)Cc1ccco1 ZINC000595481833 400163800 /nfs/dbraw/zinc/16/38/00/400163800.db2.gz CEPCXXSAROBGJH-UHFFFAOYSA-N 2 2 311.429 3.148 20 30 DGEDLP C[NH+](CCC[N@H+](C)CCc1ccc(C#N)cc1)Cc1ccco1 ZINC000595481833 400163803 /nfs/dbraw/zinc/16/38/03/400163803.db2.gz CEPCXXSAROBGJH-UHFFFAOYSA-N 2 2 311.429 3.148 20 30 DGEDLP C[NH+](CCC[N@H+](C)Cc1ccco1)CCc1ccc(C#N)cc1 ZINC000595481833 400163806 /nfs/dbraw/zinc/16/38/06/400163806.db2.gz CEPCXXSAROBGJH-UHFFFAOYSA-N 2 2 311.429 3.148 20 30 DGEDLP C[NH+](CCC[N@@H+](C)Cc1ccco1)CCc1ccc(C#N)cc1 ZINC000595481833 400163810 /nfs/dbraw/zinc/16/38/10/400163810.db2.gz CEPCXXSAROBGJH-UHFFFAOYSA-N 2 2 311.429 3.148 20 30 DGEDLP C=CC[NH+]1CCC(Nc2cc(CC)[nH+]c(-c3ccncc3)n2)CC1 ZINC000068702540 400280759 /nfs/dbraw/zinc/28/07/59/400280759.db2.gz NVCSAUQVSLZVJM-UHFFFAOYSA-N 2 2 323.444 3.163 20 30 DGEDLP C[C@@H](CCC#N)C[NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000589820781 400330295 /nfs/dbraw/zinc/33/02/95/400330295.db2.gz AYTPIACKCUULSW-HOTGVXAUSA-N 2 2 300.450 3.136 20 30 DGEDLP N#CCC[C@@H](C#N)C[NH2+]C[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000581044175 400350263 /nfs/dbraw/zinc/35/02/63/400350263.db2.gz UQELNDWFSMTYLQ-VQTJNVASSA-N 2 2 324.472 3.322 20 30 DGEDLP N#CCC[C@@H](C#N)C[NH2+]C[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000581044175 400350266 /nfs/dbraw/zinc/35/02/66/400350266.db2.gz UQELNDWFSMTYLQ-VQTJNVASSA-N 2 2 324.472 3.322 20 30 DGEDLP Cc1cc(N2CC[NH+](C)CC2)ccc1[NH2+]C[C@@H](C)CCC#N ZINC000602494525 400479010 /nfs/dbraw/zinc/47/90/10/400479010.db2.gz POIPSEKYEHIJDK-HNNXBMFYSA-N 2 2 300.450 3.099 20 30 DGEDLP C=CC[C@H]1CCCC[C@H]1[NH2+]C1CC[NH+](CCCC(=O)OC)CC1 ZINC000597174009 400576478 /nfs/dbraw/zinc/57/64/78/400576478.db2.gz TYBPWUBKDMTVKX-FUHWJXTLSA-N 2 2 322.493 3.129 20 30 DGEDLP CC[N@H+](CCC[NH2+]Cc1cccc(C#N)n1)C1CCCCC1 ZINC000602698337 400543492 /nfs/dbraw/zinc/54/34/92/400543492.db2.gz JSPGPSWIRVSRFU-UHFFFAOYSA-N 2 2 300.450 3.088 20 30 DGEDLP CC[N@@H+](CCC[NH2+]Cc1cccc(C#N)n1)C1CCCCC1 ZINC000602698337 400543500 /nfs/dbraw/zinc/54/35/00/400543500.db2.gz JSPGPSWIRVSRFU-UHFFFAOYSA-N 2 2 300.450 3.088 20 30 DGEDLP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H](C#N)CCC#N ZINC000591766123 400553940 /nfs/dbraw/zinc/55/39/40/400553940.db2.gz CWZGXBQGFHKBLR-OALUTQOASA-N 2 2 324.472 3.320 20 30 DGEDLP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H](C#N)CCC#N ZINC000591766123 400553947 /nfs/dbraw/zinc/55/39/47/400553947.db2.gz CWZGXBQGFHKBLR-OALUTQOASA-N 2 2 324.472 3.320 20 30 DGEDLP Cc1cccc2[nH+]c(CC[NH2+][C@@H](C)c3ccc(C#N)cc3)cn21 ZINC000592401870 400646339 /nfs/dbraw/zinc/64/63/39/400646339.db2.gz FADDGVUGDDYWEM-HNNXBMFYSA-N 2 2 304.397 3.408 20 30 DGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]C3CC4(CCC4)C3)CC2)cc1 ZINC000593687683 400891723 /nfs/dbraw/zinc/89/17/23/400891723.db2.gz LLQVGYIJOZBDTF-UHFFFAOYSA-N 2 2 309.457 3.445 20 30 DGEDLP Cc1ccoc1C[NH2+]C1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593693154 400893417 /nfs/dbraw/zinc/89/34/17/400893417.db2.gz QYPSTZYFTXQDRE-UHFFFAOYSA-N 2 2 309.413 3.214 20 30 DGEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CCCc3c(OC)cccc32)CC1 ZINC000194886285 400923323 /nfs/dbraw/zinc/92/33/23/400923323.db2.gz TWXNTDWVNUCUDB-GOSISDBHSA-N 2 2 300.446 3.313 20 30 DGEDLP Clc1cccc(C#CC[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000151219681 432230382 /nfs/dbraw/zinc/23/03/82/432230382.db2.gz DCCARFCNCRWVTQ-QGZVFWFLSA-N 2 2 302.849 3.109 20 30 DGEDLP Clc1cccc(C#CC[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000151219681 432230387 /nfs/dbraw/zinc/23/03/87/432230387.db2.gz DCCARFCNCRWVTQ-QGZVFWFLSA-N 2 2 302.849 3.109 20 30 DGEDLP C[C@H]1[C@H]([NH2+]Cc2ccc(C#N)c(F)c2)CC[N@@H+]1Cc1ccccc1 ZINC000404042966 267252961 /nfs/dbraw/zinc/25/29/61/267252961.db2.gz ICOUZMRAMFBPRN-MGPUTAFESA-N 2 2 323.415 3.450 20 30 DGEDLP C[C@H]1[C@H]([NH2+]Cc2ccc(C#N)c(F)c2)CC[N@H+]1Cc1ccccc1 ZINC000404042966 267252964 /nfs/dbraw/zinc/25/29/64/267252964.db2.gz ICOUZMRAMFBPRN-MGPUTAFESA-N 2 2 323.415 3.450 20 30 DGEDLP C[C@@H]1CC[N@H+](CC#Cc2cccc(Cl)c2)C[C@@H]1n1cc[nH+]c1 ZINC000129411829 274300755 /nfs/dbraw/zinc/30/07/55/274300755.db2.gz HNJHZYFMABWZKK-QAPCUYQASA-N 2 2 313.832 3.471 20 30 DGEDLP C[C@@H]1CC[N@@H+](CC#Cc2cccc(Cl)c2)C[C@@H]1n1cc[nH+]c1 ZINC000129411829 274300758 /nfs/dbraw/zinc/30/07/58/274300758.db2.gz HNJHZYFMABWZKK-QAPCUYQASA-N 2 2 313.832 3.471 20 30 DGEDLP CC[N@H+](C)C[C@@H]1CC[NH+](CC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000177356147 276072649 /nfs/dbraw/zinc/07/26/49/276072649.db2.gz GSCVOJUINMEZEM-INIZCTEOSA-N 2 2 324.390 3.331 20 30 DGEDLP CC[N@@H+](C)C[C@@H]1CC[NH+](CC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000177356147 276072650 /nfs/dbraw/zinc/07/26/50/276072650.db2.gz GSCVOJUINMEZEM-INIZCTEOSA-N 2 2 324.390 3.331 20 30 DGEDLP CC[NH+](C)C[C@@H]1CC[N@H+](CC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000177356147 276072652 /nfs/dbraw/zinc/07/26/52/276072652.db2.gz GSCVOJUINMEZEM-INIZCTEOSA-N 2 2 324.390 3.331 20 30 DGEDLP CC[NH+](C)C[C@@H]1CC[N@@H+](CC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000177356147 276072653 /nfs/dbraw/zinc/07/26/53/276072653.db2.gz GSCVOJUINMEZEM-INIZCTEOSA-N 2 2 324.390 3.331 20 30 DGEDLP C#CCCOc1ccc(C[NH2+]CCCCNc2cccc[nH+]2)cc1 ZINC000119036154 431637692 /nfs/dbraw/zinc/63/76/92/431637692.db2.gz PRJHARGBCNYMSX-UHFFFAOYSA-N 2 2 323.440 3.466 20 30 DGEDLP N#CCCCOc1cccc(C[NH+]2CCC(n3cc[nH+]c3)CC2)c1 ZINC000092648552 431910645 /nfs/dbraw/zinc/91/06/45/431910645.db2.gz CPILWPVVUBLBBD-UHFFFAOYSA-N 2 2 324.428 3.403 20 30 DGEDLP C[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1)Cc1cccc(C#N)c1 ZINC000101544243 431985335 /nfs/dbraw/zinc/98/53/35/431985335.db2.gz NDFFIOPIVJPRLH-UHFFFAOYSA-N 2 2 302.381 3.376 20 30 DGEDLP C[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)Cc1cccc(C#N)c1 ZINC000101544243 431985338 /nfs/dbraw/zinc/98/53/38/431985338.db2.gz NDFFIOPIVJPRLH-UHFFFAOYSA-N 2 2 302.381 3.376 20 30 DGEDLP CC1(C)C[N@@H+](C2(C[NH2+][C@H]3CC[C@@H](C#N)C3)CCCCC2)CCO1 ZINC000442767758 281230140 /nfs/dbraw/zinc/23/01/40/281230140.db2.gz NHQUOKHICTXYGY-SJORKVTESA-N 2 2 319.493 3.082 20 30 DGEDLP CC1(C)C[N@H+](C2(C[NH2+][C@H]3CC[C@@H](C#N)C3)CCCCC2)CCO1 ZINC000442767758 281230142 /nfs/dbraw/zinc/23/01/42/281230142.db2.gz NHQUOKHICTXYGY-SJORKVTESA-N 2 2 319.493 3.082 20 30 DGEDLP C=CC[NH+]1CCC([NH2+][C@H]2CCSc3ccc(OC)cc32)CC1 ZINC000191511813 432273400 /nfs/dbraw/zinc/27/34/00/432273400.db2.gz WMQZFJRWAUNOOK-KRWDZBQOSA-N 2 2 318.486 3.472 20 30 DGEDLP N#Cc1ccc(C[NH2+]C2CC[NH+](Cc3ccc(F)cc3)CC2)o1 ZINC000174280955 432335215 /nfs/dbraw/zinc/33/52/15/432335215.db2.gz IKAFMTAHNYAEBC-UHFFFAOYSA-N 2 2 313.376 3.045 20 30 DGEDLP C=C(C)C[NH+]1CCC([NH2+][C@H](C)c2cc(OC)ccc2OC)CC1 ZINC000152947203 432370390 /nfs/dbraw/zinc/37/03/90/432370390.db2.gz UQUYPXPUVQYDPB-OAHLLOKOSA-N 2 2 318.461 3.395 20 30 DGEDLP Cc1cc(C)cc(NC(=[NH2+])NC[C@H](c2ccsc2)[NH+](C)C)c1 ZINC000264103575 432615531 /nfs/dbraw/zinc/61/55/31/432615531.db2.gz OVLNWPLRFGXJTE-MRXNPFEDSA-N 2 2 316.474 3.394 20 30 DGEDLP C[N@H+](CC#Cc1ccc(C(F)(F)F)cc1)C[C@H]1CCC[NH+](C)C1 ZINC000177184698 432595467 /nfs/dbraw/zinc/59/54/67/432595467.db2.gz HXPWPYZDPCKHOQ-MRXNPFEDSA-N 2 2 324.390 3.331 20 30 DGEDLP C[N@@H+](CC#Cc1ccc(C(F)(F)F)cc1)C[C@H]1CCC[NH+](C)C1 ZINC000177184698 432595468 /nfs/dbraw/zinc/59/54/68/432595468.db2.gz HXPWPYZDPCKHOQ-MRXNPFEDSA-N 2 2 324.390 3.331 20 30 DGEDLP C[NH+](CC#Cc1ccc(C(F)(F)F)cc1)C[C@H]1CCC[N@H+](C)C1 ZINC000177184698 432595471 /nfs/dbraw/zinc/59/54/71/432595471.db2.gz HXPWPYZDPCKHOQ-MRXNPFEDSA-N 2 2 324.390 3.331 20 30 DGEDLP C[NH+](CC#Cc1ccc(C(F)(F)F)cc1)C[C@H]1CCC[N@@H+](C)C1 ZINC000177184698 432595473 /nfs/dbraw/zinc/59/54/73/432595473.db2.gz HXPWPYZDPCKHOQ-MRXNPFEDSA-N 2 2 324.390 3.331 20 30 DGEDLP C=CC[NH+]1CCC([NH2+]Cc2cccc(OCCCC#N)c2)CC1 ZINC000236660199 432753841 /nfs/dbraw/zinc/75/38/41/432753841.db2.gz WQOVBROZAQHGME-UHFFFAOYSA-N 2 2 313.445 3.109 20 30 DGEDLP C(#CC[N@@H+]1CCC[C@H]1c1ccc[nH]1)C[NH+]1CCC[C@@H]1c1ccc[nH]1 ZINC000276364835 432801392 /nfs/dbraw/zinc/80/13/92/432801392.db2.gz ZSERYZCGDGWQRH-BGYRXZFFSA-N 2 2 322.456 3.320 20 30 DGEDLP C(#CC[N@H+]1CCC[C@H]1c1ccc[nH]1)C[NH+]1CCC[C@@H]1c1ccc[nH]1 ZINC000276364835 432801394 /nfs/dbraw/zinc/80/13/94/432801394.db2.gz ZSERYZCGDGWQRH-BGYRXZFFSA-N 2 2 322.456 3.320 20 30 DGEDLP C(#CC[N@@H+]1CCC[C@@H]1c1ccc[nH]1)C[NH+]1CCC[C@H]1c1ccc[nH]1 ZINC000276364835 432801396 /nfs/dbraw/zinc/80/13/96/432801396.db2.gz ZSERYZCGDGWQRH-BGYRXZFFSA-N 2 2 322.456 3.320 20 30 DGEDLP C(#CC[N@H+]1CCC[C@@H]1c1ccc[nH]1)C[NH+]1CCC[C@H]1c1ccc[nH]1 ZINC000276364835 432801398 /nfs/dbraw/zinc/80/13/98/432801398.db2.gz ZSERYZCGDGWQRH-BGYRXZFFSA-N 2 2 322.456 3.320 20 30 DGEDLP N#CCCCOc1cccc(C[NH2+][C@H]2CC[N@@H+]3CCCC[C@@H]23)c1 ZINC000237826202 432801668 /nfs/dbraw/zinc/80/16/68/432801668.db2.gz YBBDRDAQPVRTKI-OALUTQOASA-N 2 2 313.445 3.086 20 30 DGEDLP N#CCCCOc1cccc(C[NH2+][C@H]2CC[N@H+]3CCCC[C@@H]23)c1 ZINC000237826202 432801670 /nfs/dbraw/zinc/80/16/70/432801670.db2.gz YBBDRDAQPVRTKI-OALUTQOASA-N 2 2 313.445 3.086 20 30 DGEDLP C[C@H](c1ccc(C#N)cc1)[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000245997283 432873864 /nfs/dbraw/zinc/87/38/64/432873864.db2.gz XRPJSIXWZURCJM-WBVHZDCISA-N 2 2 308.429 3.307 20 30 DGEDLP C[C@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000245997283 432873866 /nfs/dbraw/zinc/87/38/66/432873866.db2.gz XRPJSIXWZURCJM-WBVHZDCISA-N 2 2 308.429 3.307 20 30 DGEDLP Cc1cc(NCc2ccccc2C[N@@H+](C)C(C)C)c(C#N)c[nH+]1 ZINC000425209186 433122038 /nfs/dbraw/zinc/12/20/38/433122038.db2.gz QZAYIWDQYWJJIL-UHFFFAOYSA-N 2 2 308.429 3.136 20 30 DGEDLP Cc1cc(NCc2ccccc2C[N@H+](C)C(C)C)c(C#N)c[nH+]1 ZINC000425209186 433122045 /nfs/dbraw/zinc/12/20/45/433122045.db2.gz QZAYIWDQYWJJIL-UHFFFAOYSA-N 2 2 308.429 3.136 20 30 DGEDLP C=C[C@@H]1CCCC[N@@H+]1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420919840 433313314 /nfs/dbraw/zinc/31/33/14/433313314.db2.gz ILEHVXSXKZRMPH-LJQANCHMSA-N 2 2 300.446 3.059 20 30 DGEDLP C=C[C@@H]1CCCC[N@H+]1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420919840 433313325 /nfs/dbraw/zinc/31/33/25/433313325.db2.gz ILEHVXSXKZRMPH-LJQANCHMSA-N 2 2 300.446 3.059 20 30 DGEDLP C[C@@H]1C[C@@H]([NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)CS1 ZINC000414235388 433474495 /nfs/dbraw/zinc/47/44/95/433474495.db2.gz UJYSHDVFSYXNAG-RDTXWAMCSA-N 2 2 315.486 3.006 20 30 DGEDLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+][C@H]2CCC[C@H](C#N)C2)CC1 ZINC000185868863 290275511 /nfs/dbraw/zinc/27/55/11/290275511.db2.gz VVSCGOFPAFFVTG-GJYPPUQNSA-N 2 2 312.461 3.279 20 30 DGEDLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+]CC1CCC(C#N)CC1 ZINC000282525823 433615376 /nfs/dbraw/zinc/61/53/76/433615376.db2.gz YPQFCKYUPSPSKZ-CKVGWXAMSA-N 2 2 311.473 3.426 20 30 DGEDLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+]CC1CCC(C#N)CC1 ZINC000282525823 433615388 /nfs/dbraw/zinc/61/53/88/433615388.db2.gz YPQFCKYUPSPSKZ-CKVGWXAMSA-N 2 2 311.473 3.426 20 30 DGEDLP C=CCOc1ccc(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc1Cl ZINC000427130627 433654801 /nfs/dbraw/zinc/65/48/01/433654801.db2.gz KIUFXBDANXENAO-ZBFHGGJFSA-N 2 2 306.837 3.089 20 30 DGEDLP C=CCOc1ccc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc1Cl ZINC000427130627 433654809 /nfs/dbraw/zinc/65/48/09/433654809.db2.gz KIUFXBDANXENAO-ZBFHGGJFSA-N 2 2 306.837 3.089 20 30 DGEDLP Cc1cc(C[NH2+][C@H](C)C[N@H+](C)Cc2ccccc2)ccc1C#N ZINC000342419306 433676534 /nfs/dbraw/zinc/67/65/34/433676534.db2.gz JMHOLYXXAIZBLU-QGZVFWFLSA-N 2 2 307.441 3.477 20 30 DGEDLP Cc1cc(C[NH2+][C@H](C)C[N@@H+](C)Cc2ccccc2)ccc1C#N ZINC000342419306 433676547 /nfs/dbraw/zinc/67/65/47/433676547.db2.gz JMHOLYXXAIZBLU-QGZVFWFLSA-N 2 2 307.441 3.477 20 30 DGEDLP C=C(C)CC[NH+](C)C[C@H]1CCC[N@@H+](CC)[C@H]1c1cnn(C)c1 ZINC000352414102 434043993 /nfs/dbraw/zinc/04/39/93/434043993.db2.gz RYEDJWPNAFWRCA-SJLPKXTDSA-N 2 2 304.482 3.091 20 30 DGEDLP C=C(C)CC[NH+](C)C[C@H]1CCC[N@H+](CC)[C@H]1c1cnn(C)c1 ZINC000352414102 434044002 /nfs/dbraw/zinc/04/40/02/434044002.db2.gz RYEDJWPNAFWRCA-SJLPKXTDSA-N 2 2 304.482 3.091 20 30 DGEDLP C=C(C)CC[N@@H+](C)C[C@H]1CCC[NH+](CC)[C@H]1c1cnn(C)c1 ZINC000352414102 434044007 /nfs/dbraw/zinc/04/40/07/434044007.db2.gz RYEDJWPNAFWRCA-SJLPKXTDSA-N 2 2 304.482 3.091 20 30 DGEDLP C=C(C)CC[N@H+](C)C[C@H]1CCC[NH+](CC)[C@H]1c1cnn(C)c1 ZINC000352414102 434044013 /nfs/dbraw/zinc/04/40/13/434044013.db2.gz RYEDJWPNAFWRCA-SJLPKXTDSA-N 2 2 304.482 3.091 20 30 DGEDLP C[N@H+](Cc1ccc(C#N)cc1Cl)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000352920874 434060892 /nfs/dbraw/zinc/06/08/92/434060892.db2.gz CHOJIJYYWRDTHT-XYPWUTKMSA-N 2 2 303.837 3.269 20 30 DGEDLP C[N@@H+](Cc1ccc(C#N)cc1Cl)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000352920874 434060897 /nfs/dbraw/zinc/06/08/97/434060897.db2.gz CHOJIJYYWRDTHT-XYPWUTKMSA-N 2 2 303.837 3.269 20 30 DGEDLP C[NH+](Cc1ccc(C#N)cc1Cl)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000352920874 434060905 /nfs/dbraw/zinc/06/09/05/434060905.db2.gz CHOJIJYYWRDTHT-XYPWUTKMSA-N 2 2 303.837 3.269 20 30 DGEDLP C[NH+](Cc1ccc(C#N)cc1Cl)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000352920874 434060909 /nfs/dbraw/zinc/06/09/09/434060909.db2.gz CHOJIJYYWRDTHT-XYPWUTKMSA-N 2 2 303.837 3.269 20 30 DGEDLP C=CCC[C@H](CC)[NH2+]CC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000423578698 434494515 /nfs/dbraw/zinc/49/45/15/434494515.db2.gz UUKWIHXWJAKHHU-IBGZPJMESA-N 3 2 315.505 3.314 20 30 DGEDLP C=CC[NH+]1CCC([NH2+][C@H]2C[C@H](OC(C)(C)C)C23CCC3)CC1 ZINC000638524679 435047306 /nfs/dbraw/zinc/04/73/06/435047306.db2.gz QUOBKSIQKJHNOJ-IRXDYDNUSA-N 2 2 306.494 3.353 20 30 DGEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2cnn(-c3ccccc3C)c2)CC1 ZINC000647181061 435962922 /nfs/dbraw/zinc/96/29/22/435962922.db2.gz HNLXJQJACGDASZ-UHFFFAOYSA-N 2 2 324.472 3.311 20 30 DGEDLP Clc1ccc(C#CC[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000131687766 341108339 /nfs/dbraw/zinc/10/83/39/341108339.db2.gz ZKDGSCSMLZSZQB-GOSISDBHSA-N 2 2 312.800 3.240 20 30 DGEDLP Clc1ccc(C#CC[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000131687766 341108340 /nfs/dbraw/zinc/10/83/40/341108340.db2.gz ZKDGSCSMLZSZQB-GOSISDBHSA-N 2 2 312.800 3.240 20 30 DGEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2ncccc2C(F)(F)F)CC1 ZINC000152579574 546004410 /nfs/dbraw/zinc/00/44/10/546004410.db2.gz NADHVNNXWIYTIR-UHFFFAOYSA-N 2 2 313.367 3.231 20 30 DGEDLP Oc1cccc(/C=[NH+]/C2CCC([NH+]3CCCCC3)CC2)c1O ZINC000750817997 575753544 /nfs/dbraw/zinc/75/35/44/575753544.db2.gz LVRNWRUVQNRQDG-CPNJWEJPSA-N 2 2 302.418 3.314 20 30 DGEDLP CCNC(NC[C@@H](c1ccccc1Cl)[NH+](CC)CC)=[NH+]CC ZINC000727242913 576114914 /nfs/dbraw/zinc/11/49/14/576114914.db2.gz SMXHXSYDCZIGEM-INIZCTEOSA-N 2 2 324.900 3.298 20 30 DGEDLP CCNC(NC[C@H](c1ccccc1Cl)[NH+](CC)CC)=[NH+]CC ZINC000727242914 576114956 /nfs/dbraw/zinc/11/49/56/576114956.db2.gz SMXHXSYDCZIGEM-MRXNPFEDSA-N 2 2 324.900 3.298 20 30 DGEDLP CSc1ccc(C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1C#N ZINC000926869628 618359193 /nfs/dbraw/zinc/35/91/93/618359193.db2.gz VUGODZIYYFNHQJ-IRXDYDNUSA-N 2 2 315.486 3.387 20 30 DGEDLP CSc1ccc(C[NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)cc1C#N ZINC000926869628 618359197 /nfs/dbraw/zinc/35/91/97/618359197.db2.gz VUGODZIYYFNHQJ-IRXDYDNUSA-N 2 2 315.486 3.387 20 30 DGEDLP C=C(C)C[NH+]1CCC([NH2+][C@H](CC)c2cccc(OC)n2)CC1 ZINC000924989327 618757963 /nfs/dbraw/zinc/75/79/63/618757963.db2.gz UHNCAJYABFYCKZ-MRXNPFEDSA-N 2 2 303.450 3.171 20 30 DGEDLP C#CC[N@H+](Cc1c(O)ccc2ccccc21)C1CC[NH+](C)CC1 ZINC000902538838 619647052 /nfs/dbraw/zinc/64/70/52/619647052.db2.gz VZTRWLSEJHAQRG-UHFFFAOYSA-N 2 2 308.425 3.075 20 30 DGEDLP C=CCC[C@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)[C@@]1(C)CCCCO1 ZINC000902963641 619698034 /nfs/dbraw/zinc/69/80/34/619698034.db2.gz QHZIHPKXFQXUEI-SOLBZPMBSA-N 2 2 303.450 3.082 20 30 DGEDLP C[C@@H]([NH2+]CCC[NH+]1CCC(C)CC1)c1cccc(C#N)c1O ZINC000866217785 622068350 /nfs/dbraw/zinc/06/83/50/622068350.db2.gz HJFRDJPSWUABRW-OAHLLOKOSA-N 2 2 301.434 3.036 20 30 DGEDLP CC(C)C[NH+]1CCC([NH2+][C@@H](C)c2cccc(C#N)c2O)CC1 ZINC000866227394 622070497 /nfs/dbraw/zinc/07/04/97/622070497.db2.gz ZPLKPVKCQDWXRR-AWEZNQCLSA-N 2 2 301.434 3.035 20 30 DGEDLP CCC[NH+]1CCC(C[NH2+][C@@H](C)c2cccc(C#N)c2O)CC1 ZINC000866260600 622078407 /nfs/dbraw/zinc/07/84/07/622078407.db2.gz VTTYEGTZRARKLM-AWEZNQCLSA-N 2 2 301.434 3.036 20 30 DGEDLP C[C@H]([NH2+]CCCCC[NH+]1CCCC1)c1cccc(C#N)c1O ZINC000866362198 622102848 /nfs/dbraw/zinc/10/28/48/622102848.db2.gz BUHGRFFIJGPZAD-HNNXBMFYSA-N 2 2 301.434 3.181 20 30 DGEDLP CC(C)(C)[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1ccc(C#N)cc1F ZINC000772918203 622953945 /nfs/dbraw/zinc/95/39/45/622953945.db2.gz HHGGETRJNWOHDJ-MRXNPFEDSA-N 2 2 300.381 3.098 20 30 DGEDLP C#CCOc1cccc(Cl)c1C[NH2+]C[C@@H]1CCC[N@@H+](CC)C1 ZINC000778162540 623618551 /nfs/dbraw/zinc/61/85/51/623618551.db2.gz URFXSAMOFBRWKO-HNNXBMFYSA-N 2 2 320.864 3.174 20 30 DGEDLP C#CCOc1cccc(Cl)c1C[NH2+]C[C@@H]1CCC[N@H+](CC)C1 ZINC000778162540 623618555 /nfs/dbraw/zinc/61/85/55/623618555.db2.gz URFXSAMOFBRWKO-HNNXBMFYSA-N 2 2 320.864 3.174 20 30 DGEDLP C=C(Cl)C[C@H]([NH3+])C(=O)Nc1cccc(-c2[nH]c(C)c(C)[nH+]2)c1 ZINC000876737158 623692026 /nfs/dbraw/zinc/69/20/26/623692026.db2.gz OYBFJOVINZUHMY-AWEZNQCLSA-N 2 2 318.808 3.102 20 30 DGEDLP C#C[C@H]([NH2+][C@@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1)[C@@H]1CCCO1 ZINC000877415702 623874824 /nfs/dbraw/zinc/87/48/24/623874824.db2.gz DDIWHRDHBHHPLI-HZEGPAAWSA-N 2 2 324.468 3.125 20 30 DGEDLP C#C[C@H]([NH2+][C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1)[C@@H]1CCCO1 ZINC000877415702 623874831 /nfs/dbraw/zinc/87/48/31/623874831.db2.gz DDIWHRDHBHHPLI-HZEGPAAWSA-N 2 2 324.468 3.125 20 30 DGEDLP C#C[C@H]([NH2+][C@@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1)[C@H]1CCCO1 ZINC000877415698 623875061 /nfs/dbraw/zinc/87/50/61/623875061.db2.gz DDIWHRDHBHHPLI-BVOGOJNSSA-N 2 2 324.468 3.125 20 30 DGEDLP C#C[C@H]([NH2+][C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1)[C@H]1CCCO1 ZINC000877415698 623875074 /nfs/dbraw/zinc/87/50/74/623875074.db2.gz DDIWHRDHBHHPLI-BVOGOJNSSA-N 2 2 324.468 3.125 20 30 DGEDLP C[C@H]1CCC[C@H]([NH+]2CCC([NH2+]Cc3ccc(C#N)cn3)CC2)C1 ZINC000783299439 624335751 /nfs/dbraw/zinc/33/57/51/624335751.db2.gz CDAWFMVPQUICOP-KXBFYZLASA-N 2 2 312.461 3.086 20 30 DGEDLP COc1cc(N[NH+]=Cc2c[nH+]ccc2N(C)C)ccc1Cl ZINC000788472783 625191293 /nfs/dbraw/zinc/19/12/93/625191293.db2.gz ZEVUHNFIGWCWAH-UHFFFAOYSA-N 2 2 304.781 3.256 20 30 DGEDLP CN(c1ccc([NH2+][C@H]2CC[C@@H](C#N)C2)cc1)C1CC[NH+](C)CC1 ZINC000799721864 626324391 /nfs/dbraw/zinc/32/43/91/626324391.db2.gz YTYPACOPPAQZAZ-WBVHZDCISA-N 2 2 312.461 3.321 20 30 DGEDLP C=CCC[C@@H](COc1ccccc1)[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000883217486 626612461 /nfs/dbraw/zinc/61/24/61/626612461.db2.gz JTFBDQAXOKKQAN-SJORKVTESA-N 2 2 311.429 3.201 20 30 DGEDLP C=CCC[C@@H](COc1ccccc1)[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000883217485 626612757 /nfs/dbraw/zinc/61/27/57/626612757.db2.gz JTFBDQAXOKKQAN-IRXDYDNUSA-N 2 2 311.429 3.201 20 30 DGEDLP C[C@H](CC(C)(C)C#N)[NH2+][C@@H]1CCc2[nH+]c(C(C)(C)C)cn2C1 ZINC000924891380 627690845 /nfs/dbraw/zinc/69/08/45/627690845.db2.gz ZPWMRMBUGADBNG-ZIAGYGMSSA-N 2 2 302.466 3.413 20 30 DGEDLP CSc1ccc(C[NH2+][C@H]2CC[NH2+]C23CCCC3)cc1C#N ZINC000925773421 627792704 /nfs/dbraw/zinc/79/27/04/627792704.db2.gz NKDBKZQRASRQSY-INIZCTEOSA-N 2 2 301.459 3.044 20 30 DGEDLP C[C@H]([NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12)c1ccc(OCC#N)cc1 ZINC000848569179 631696892 /nfs/dbraw/zinc/69/68/92/631696892.db2.gz WLTRURXMDGSXDO-SNRMKQJTSA-N 2 2 313.445 3.256 20 30 DGEDLP C[C@H]([NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12)c1ccc(OCC#N)cc1 ZINC000848569179 631696896 /nfs/dbraw/zinc/69/68/96/631696896.db2.gz WLTRURXMDGSXDO-SNRMKQJTSA-N 2 2 313.445 3.256 20 30 DGEDLP C[C@H](C#N)Oc1ccc(C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000848575901 631701620 /nfs/dbraw/zinc/70/16/20/631701620.db2.gz YAWOFIGAKGOGFU-MNEFBYGVSA-N 2 2 313.445 3.084 20 30 DGEDLP C[C@H](C#N)Oc1ccc(C[NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)cc1 ZINC000848575901 631701624 /nfs/dbraw/zinc/70/16/24/631701624.db2.gz YAWOFIGAKGOGFU-MNEFBYGVSA-N 2 2 313.445 3.084 20 30 DGEDLP c1cn(CCC[NH+]=C(Nc2ccccc2)N2CCCCC2)c[nH+]1 ZINC000848980367 631796183 /nfs/dbraw/zinc/79/61/83/631796183.db2.gz DGZKZTRTUVTTFU-UHFFFAOYSA-N 2 2 311.433 3.227 20 30 DGEDLP C[NH+]1CCC[C@H]2C[N@H+](Cc3cc(Cl)cc(C#N)c3)CC[C@@H]21 ZINC000929848018 661344493 /nfs/dbraw/zinc/34/44/93/661344493.db2.gz OFGBKTRGBJLUBL-RDJZCZTQSA-N 2 2 303.837 3.128 20 30 DGEDLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3cc(Cl)cc(C#N)c3)CC[C@@H]21 ZINC000929848018 661344495 /nfs/dbraw/zinc/34/44/95/661344495.db2.gz OFGBKTRGBJLUBL-RDJZCZTQSA-N 2 2 303.837 3.128 20 30 DGEDLP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)c1cc2cccc(OC)c2o1 ZINC000328216061 656056904 /nfs/dbraw/zinc/05/69/04/656056904.db2.gz YCBYTZUUVPNJGG-AWEZNQCLSA-N 2 2 300.402 3.047 20 30 DGEDLP C#CC[N@H+](C)CCC[NH2+][C@@H](C)c1cc2cccc(OC)c2o1 ZINC000328216061 656056908 /nfs/dbraw/zinc/05/69/08/656056908.db2.gz YCBYTZUUVPNJGG-AWEZNQCLSA-N 2 2 300.402 3.047 20 30 DGEDLP CCc1ccc(NC(=[NH2+])NCc2ccccc2-n2cc[nH+]c2)cc1 ZINC000303867617 657567988 /nfs/dbraw/zinc/56/79/88/657567988.db2.gz DACUJXAOFVKKFE-UHFFFAOYSA-N 2 2 319.412 3.362 20 30 DGEDLP C=CC[NH2+][C@H]1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)C[C@@H]1CC ZINC001037892431 658501265 /nfs/dbraw/zinc/50/12/65/658501265.db2.gz NHIRARWIHFGPBJ-IRXDYDNUSA-N 2 2 315.461 3.023 20 30 DGEDLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3cc(Cl)cc(C#N)c3)CC[C@@H]21 ZINC000929848018 661344490 /nfs/dbraw/zinc/34/44/90/661344490.db2.gz OFGBKTRGBJLUBL-RDJZCZTQSA-N 2 2 303.837 3.128 20 30 DGEDLP C[N@H+]1CCC[C@H]2C[NH+](Cc3cc(Cl)cc(C#N)c3)CC[C@@H]21 ZINC000929848018 661344491 /nfs/dbraw/zinc/34/44/91/661344491.db2.gz OFGBKTRGBJLUBL-RDJZCZTQSA-N 2 2 303.837 3.128 20 30 DGEDLP Cc1cc([NH2+]C[C@H](C)CCC#N)ccc1N1CC[NH+](C)CC1 ZINC001331042720 1178121800 /nfs/dbraw/zinc/12/18/00/1178121800.db2.gz QRMSAXJBYSMHNO-OAHLLOKOSA-N 2 2 300.450 3.099 20 30 DGEDLP Cc1cccc(NC[C@H]2CCC[N@@H+]2CC#Cc2ccccc2)[nH+]1 ZINC001334097673 1178720039 /nfs/dbraw/zinc/72/00/39/1178720039.db2.gz OQAGTFKYKNEKHC-LJQANCHMSA-N 2 2 305.425 3.318 20 30 DGEDLP Cc1cccc(NC[C@H]2CCC[N@H+]2CC#Cc2ccccc2)[nH+]1 ZINC001334097673 1178720042 /nfs/dbraw/zinc/72/00/42/1178720042.db2.gz OQAGTFKYKNEKHC-LJQANCHMSA-N 2 2 305.425 3.318 20 30 DGEDLP C[C@H](CC(C)(C)C#N)[NH2+]c1ccc(N2CC[NH+](C)CC2)cc1 ZINC001335394189 1178904084 /nfs/dbraw/zinc/90/40/84/1178904084.db2.gz QITANVKAEIGQGO-OAHLLOKOSA-N 2 2 300.450 3.179 20 30 DGEDLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)CC1(C#N)CCCCC1 ZINC001350722690 1180111086 /nfs/dbraw/zinc/11/10/86/1180111086.db2.gz ZLNDBEBXQDAYKZ-UHFFFAOYSA-N 2 2 323.400 3.378 20 30 DGEDLP N#Cc1ccc(C[NH2+][C@H](Cn2cc[nH+]c2)c2ccccc2)cc1 ZINC001460697859 1182710100 /nfs/dbraw/zinc/71/01/00/1182710100.db2.gz XTSMVGSJMULIJG-LJQANCHMSA-N 2 2 302.381 3.286 20 30 DGEDLP C=CC[NH2+]CC[C@@H]1CCCN(C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001495371269 1185040347 /nfs/dbraw/zinc/04/03/47/1185040347.db2.gz IZDFGXOBSQAJGZ-KRWDZBQOSA-N 2 2 315.461 3.025 20 30 DGEDLP C=CCCC[NH2+]C[C@H]1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001567132843 1190037602 /nfs/dbraw/zinc/03/76/02/1190037602.db2.gz NGWOETFMWLDBKW-QGZVFWFLSA-N 2 2 315.461 3.025 20 30 DGEDLP C=C(C)C[N@H+](CCC)CCNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001567428161 1190186005 /nfs/dbraw/zinc/18/60/05/1190186005.db2.gz RRKDSFKUNOTWTL-UHFFFAOYSA-N 2 2 303.450 3.025 20 30 DGEDLP C=C(C)C[N@@H+](CCC)CCNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001567428161 1190186009 /nfs/dbraw/zinc/18/60/09/1190186009.db2.gz RRKDSFKUNOTWTL-UHFFFAOYSA-N 2 2 303.450 3.025 20 30 DGEDLP C(#Cc1ccccc1)C[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC001653014712 1195680136 /nfs/dbraw/zinc/68/01/36/1195680136.db2.gz OISWDMRDZCWQQF-FQEVSTJZSA-N 2 2 301.393 3.266 20 30 DGEDLP C=CCCC[NH2+]CC[C@@H](C)NC(=O)c1c(C)cc(C)[nH+]c1C ZINC001668148113 1197401817 /nfs/dbraw/zinc/40/18/17/1197401817.db2.gz QLBJVUZBUMRTBQ-CQSZACIVSA-N 2 2 303.450 3.071 20 30 DGEDLP C=C(C)CC[NH2+][C@H](CC)CNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001698610194 1201279991 /nfs/dbraw/zinc/27/99/91/1201279991.db2.gz YLFXIEDKJOFQFR-MRXNPFEDSA-N 2 2 303.450 3.071 20 30 DGEDLP CC(C)[C@@H](C[NH2+]C1CC(C#N)(c2ccccc2)C1)[NH+]1CCCC1 ZINC000236691714 1202621058 /nfs/dbraw/zinc/62/10/58/1202621058.db2.gz XEOWYPCVEMXEHS-IOJLRTSASA-N 2 2 311.473 3.320 20 30 DGEDLP C=CCC[NH2+][C@H]1CCC[C@@H](NC(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001714402029 1202913611 /nfs/dbraw/zinc/91/36/11/1202913611.db2.gz AUGNXBXMCNHUNS-DLBZAZTESA-N 2 2 315.461 3.214 20 30 DGEDLP C=CCCC[NH2+][C@@H](C)C[C@H](C)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001134739927 1083326827 /nfs/dbraw/zinc/32/68/27/1083326827.db2.gz LYWZKDWLQOXSED-KBPBESRZSA-N 2 2 314.433 3.016 20 30 DGEDLP N#Cc1ccc2cc[nH+]c(N[C@@H]3CC[NH2+]C[C@@H]3C(F)(F)F)c2c1 ZINC001160739755 1088940619 /nfs/dbraw/zinc/94/06/19/1088940619.db2.gz YGWKVXTWOGJPHO-UONOGXRCSA-N 2 2 320.318 3.059 20 30 DGEDLP CCCCCCC[NH2+]CCCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001160991059 1089060080 /nfs/dbraw/zinc/06/00/80/1089060080.db2.gz MEEKUELLAAQCFN-UHFFFAOYSA-N 2 2 316.449 3.243 20 30 DGEDLP C=CC[C@@H](Nc1ccc(N2CC[NH2+]CC2)c[nH+]1)c1ccccc1 ZINC001162905623 1090015737 /nfs/dbraw/zinc/01/57/37/1090015737.db2.gz IZKUAIMQXKSKOB-GOSISDBHSA-N 2 2 308.429 3.221 20 30 DGEDLP C=CC[NH2+]C[C@H](CCCC)NC(=O)c1c(C)cc(C)[nH+]c1C ZINC001485466782 1090167091 /nfs/dbraw/zinc/16/70/91/1090167091.db2.gz UGJFRPMMKNTDRJ-INIZCTEOSA-N 2 2 303.450 3.071 20 30 DGEDLP C=CCC[NH2+]CC1(CCNC(=O)c2c(C)cc(C)[nH+]c2C)CC1 ZINC001166302220 1090594973 /nfs/dbraw/zinc/59/49/73/1090594973.db2.gz ZBEZDKOWRJXBHG-UHFFFAOYSA-N 2 2 315.461 3.073 20 30 DGEDLP N#Cc1ccc(C[NH+]2CCC3(CCC[N@@H+]3CC3CC3)CC2)cc1 ZINC001203903752 1090834034 /nfs/dbraw/zinc/83/40/34/1090834034.db2.gz YKXKILRIKYOVSS-UHFFFAOYSA-N 2 2 309.457 3.399 20 30 DGEDLP N#Cc1ccc(C[NH+]2CCC3(CCC[N@H+]3CC3CC3)CC2)cc1 ZINC001203903752 1090834039 /nfs/dbraw/zinc/83/40/39/1090834039.db2.gz YKXKILRIKYOVSS-UHFFFAOYSA-N 2 2 309.457 3.399 20 30 DGEDLP N#Cc1ccc(Oc2ccc(C[N@@H+]3CCC[NH2+]CC3)cc2)cc1 ZINC001204667331 1091014150 /nfs/dbraw/zinc/01/41/50/1091014150.db2.gz HLUWLGIIPJOFLT-UHFFFAOYSA-N 2 2 307.397 3.146 20 30 DGEDLP N#Cc1ccc(Oc2ccc(C[N@H+]3CCC[NH2+]CC3)cc2)cc1 ZINC001204667331 1091014155 /nfs/dbraw/zinc/01/41/55/1091014155.db2.gz HLUWLGIIPJOFLT-UHFFFAOYSA-N 2 2 307.397 3.146 20 30 DGEDLP Cc1c[nH+]c2n1CCC21CC[NH+](Cc2cc(F)cc(C#N)c2)CC1 ZINC001139876837 1091698440 /nfs/dbraw/zinc/69/84/40/1091698440.db2.gz NTZXDMFDARQDKH-UHFFFAOYSA-N 2 2 324.403 3.140 20 30 DGEDLP N#Cc1ccc2c(C[NH+]3CCC([NH+]4CCCCC4)CC3)c[nH]c2c1 ZINC001142912077 1092582962 /nfs/dbraw/zinc/58/29/62/1092582962.db2.gz UDIOMHAAYDXZAH-UHFFFAOYSA-N 2 2 322.456 3.490 20 30 DGEDLP C=CC[NH+]1CCC([NH2+][C@H]2C[C@@H](C)c3c2c(O)ccc3C)CC1 ZINC001116584183 1095606896 /nfs/dbraw/zinc/60/68/96/1095606896.db2.gz BELGQOMMMRGBOT-ZBFHGGJFSA-N 2 2 300.446 3.489 20 30 DGEDLP C#Cc1ccc(C[NH+]2CCC([NH+]3CCC(F)CC3)CC2)cc1 ZINC001144576614 1095724643 /nfs/dbraw/zinc/72/46/43/1095724643.db2.gz QBGLLFJHJGZYJM-UHFFFAOYSA-N 2 2 300.421 3.066 20 30 DGEDLP C=C(C)C[NH2+]CCCC[C@H](C)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001171526909 1096918306 /nfs/dbraw/zinc/91/83/06/1096918306.db2.gz LFJWCSQKHOWKLF-AWEZNQCLSA-N 2 2 314.433 3.017 20 30 DGEDLP C[C@H](CCCC#N)[NH2+][C@H](C[NH3+])c1ccc(Br)cc1 ZINC001172490066 1097167052 /nfs/dbraw/zinc/16/70/52/1097167052.db2.gz VEDWGYYNMZALDD-BXUZGUMPSA-N 2 2 310.239 3.121 20 30 DGEDLP C[N@@H+]1CCC[C@]2(CCC[NH+](Cc3cc4ccc(C#N)cc4[nH]3)C2)C1 ZINC001277454458 1097482437 /nfs/dbraw/zinc/48/24/37/1097482437.db2.gz SDFGXLKKHUUQER-FQEVSTJZSA-N 2 2 322.456 3.347 20 30 DGEDLP C[N@H+]1CCC[C@]2(CCC[NH+](Cc3cc4ccc(C#N)cc4[nH]3)C2)C1 ZINC001277454458 1097482441 /nfs/dbraw/zinc/48/24/41/1097482441.db2.gz SDFGXLKKHUUQER-FQEVSTJZSA-N 2 2 322.456 3.347 20 30 DGEDLP C[NH+]1CCC[C@]2(CCC[N@H+](Cc3cc4ccc(C#N)cc4[nH]3)C2)C1 ZINC001277454458 1097482442 /nfs/dbraw/zinc/48/24/42/1097482442.db2.gz SDFGXLKKHUUQER-FQEVSTJZSA-N 2 2 322.456 3.347 20 30 DGEDLP C[NH+]1CCC[C@]2(CCC[N@@H+](Cc3cc4ccc(C#N)cc4[nH]3)C2)C1 ZINC001277454458 1097482446 /nfs/dbraw/zinc/48/24/46/1097482446.db2.gz SDFGXLKKHUUQER-FQEVSTJZSA-N 2 2 322.456 3.347 20 30 DGEDLP CC1CC[NH+](CC[C@H]2CCC[N@@H+]2Cc2ccc(C#N)o2)CC1 ZINC001175362150 1098025129 /nfs/dbraw/zinc/02/51/29/1098025129.db2.gz RDIOLNMAEVCLIV-MRXNPFEDSA-N 2 2 301.434 3.238 20 30 DGEDLP CC1CC[NH+](CC[C@H]2CCC[N@H+]2Cc2ccc(C#N)o2)CC1 ZINC001175362150 1098025135 /nfs/dbraw/zinc/02/51/35/1098025135.db2.gz RDIOLNMAEVCLIV-MRXNPFEDSA-N 2 2 301.434 3.238 20 30 DGEDLP COc1cc(C[N@@H+]2CCC[C@H](CC#N)C2)ccc1-n1cc[nH+]c1 ZINC001234066829 1098489138 /nfs/dbraw/zinc/48/91/38/1098489138.db2.gz QAKKCZFOOJDKBA-OAHLLOKOSA-N 2 2 310.401 3.007 20 30 DGEDLP COc1cc(C[N@H+]2CCC[C@H](CC#N)C2)ccc1-n1cc[nH+]c1 ZINC001234066829 1098489141 /nfs/dbraw/zinc/48/91/41/1098489141.db2.gz QAKKCZFOOJDKBA-OAHLLOKOSA-N 2 2 310.401 3.007 20 30 DGEDLP C=CCC[C@@H](C)[NH2+][C@H](C)CN(C)C(=O)c1c(C)cc(C)[nH+]c1C ZINC001277893698 1098667746 /nfs/dbraw/zinc/66/77/46/1098667746.db2.gz PQLIABNRXCDRIK-GDBMZVCRSA-N 2 2 317.477 3.412 20 30 DGEDLP C=CCOc1ccccc1C[N@@H+]1CCC[C@]2(CCC[NH2+]2)CC1 ZINC001235042443 1098769445 /nfs/dbraw/zinc/76/94/45/1098769445.db2.gz BXLZCCCBWVCWPG-LJQANCHMSA-N 2 2 300.446 3.360 20 30 DGEDLP C=CCOc1ccccc1C[N@H+]1CCC[C@]2(CCC[NH2+]2)CC1 ZINC001235042443 1098769453 /nfs/dbraw/zinc/76/94/53/1098769453.db2.gz BXLZCCCBWVCWPG-LJQANCHMSA-N 2 2 300.446 3.360 20 30 DGEDLP C(#Cc1ccccc1)c1ccc(C[NH+]2CCC3(CC[NH2+]3)CC2)s1 ZINC001235109310 1098808286 /nfs/dbraw/zinc/80/82/86/1098808286.db2.gz ARAPUUXFMCRSFK-UHFFFAOYSA-N 2 2 322.477 3.476 20 30 DGEDLP N#Cc1cccc2c(C[N@@H+]3CCCC[C@]34CCC[NH2+]C4)c[nH]c21 ZINC001235168305 1098850253 /nfs/dbraw/zinc/85/02/53/1098850253.db2.gz QNGOLZVHOAMZOW-LJQANCHMSA-N 2 2 308.429 3.148 20 30 DGEDLP N#Cc1cccc2c(C[N@H+]3CCCC[C@]34CCC[NH2+]C4)c[nH]c21 ZINC001235168305 1098850256 /nfs/dbraw/zinc/85/02/56/1098850256.db2.gz QNGOLZVHOAMZOW-LJQANCHMSA-N 2 2 308.429 3.148 20 30 DGEDLP C=CCOc1ccc(C[N@@H+]2CCCC[C@@]23CCC[NH2+]C3)cc1 ZINC001235170302 1098853549 /nfs/dbraw/zinc/85/35/49/1098853549.db2.gz DZESMTFOGSCHOQ-IBGZPJMESA-N 2 2 300.446 3.360 20 30 DGEDLP C=CCOc1ccc(C[N@H+]2CCCC[C@@]23CCC[NH2+]C3)cc1 ZINC001235170302 1098853553 /nfs/dbraw/zinc/85/35/53/1098853553.db2.gz DZESMTFOGSCHOQ-IBGZPJMESA-N 2 2 300.446 3.360 20 30 DGEDLP C=CC[NH2+]CCCCCCNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001179085113 1099014931 /nfs/dbraw/zinc/01/49/31/1099014931.db2.gz SWBFMCXZUQRAJN-UHFFFAOYSA-N 2 2 303.450 3.073 20 30 DGEDLP N#CCCCC[N@@H+]1CCC[C@@]2(CCC[NH+](Cc3ccc[nH]3)C2)C1 ZINC001277949274 1099067070 /nfs/dbraw/zinc/06/70/70/1099067070.db2.gz VFHZONWDEZQVPO-LJQANCHMSA-N 2 2 314.477 3.387 20 30 DGEDLP N#CCCCC[N@H+]1CCC[C@@]2(CCC[NH+](Cc3ccc[nH]3)C2)C1 ZINC001277949274 1099067082 /nfs/dbraw/zinc/06/70/82/1099067082.db2.gz VFHZONWDEZQVPO-LJQANCHMSA-N 2 2 314.477 3.387 20 30 DGEDLP N#CCCCC[NH+]1CCC[C@@]2(CCC[N@H+](Cc3ccc[nH]3)C2)C1 ZINC001277949274 1099067092 /nfs/dbraw/zinc/06/70/92/1099067092.db2.gz VFHZONWDEZQVPO-LJQANCHMSA-N 2 2 314.477 3.387 20 30 DGEDLP N#CCCCC[NH+]1CCC[C@@]2(CCC[N@@H+](Cc3ccc[nH]3)C2)C1 ZINC001277949274 1099067105 /nfs/dbraw/zinc/06/71/05/1099067105.db2.gz VFHZONWDEZQVPO-LJQANCHMSA-N 2 2 314.477 3.387 20 30 DGEDLP Cc1c[nH+]ccc1O[C@@H]1CC[N@H+](Cc2ccccc2CC#N)C1 ZINC001235529368 1099078541 /nfs/dbraw/zinc/07/85/41/1099078541.db2.gz ZHHHYTPJJTYNDE-GOSISDBHSA-N 2 2 307.397 3.109 20 30 DGEDLP Cc1c[nH+]ccc1O[C@@H]1CC[N@@H+](Cc2ccccc2CC#N)C1 ZINC001235529368 1099078555 /nfs/dbraw/zinc/07/85/55/1099078555.db2.gz ZHHHYTPJJTYNDE-GOSISDBHSA-N 2 2 307.397 3.109 20 30 DGEDLP N#Cc1ccc(Oc2ccc(C[N@H+]3C[C@H]4CC[C@]4([NH3+])C3)cc2)cc1 ZINC001235991439 1099314412 /nfs/dbraw/zinc/31/44/12/1099314412.db2.gz LXBDMMQMJGRYNX-XLIONFOSSA-N 2 2 319.408 3.274 20 30 DGEDLP N#Cc1ccc(Oc2ccc(C[N@@H+]3C[C@H]4CC[C@]4([NH3+])C3)cc2)cc1 ZINC001235991439 1099314424 /nfs/dbraw/zinc/31/44/24/1099314424.db2.gz LXBDMMQMJGRYNX-XLIONFOSSA-N 2 2 319.408 3.274 20 30 DGEDLP CC(C)C[N@H+](Cc1cc2ccc(C#N)cc2[nH]1)[C@@H]1CCC[NH2+]C1 ZINC001236478356 1099636985 /nfs/dbraw/zinc/63/69/85/1099636985.db2.gz FHKYOGCGFWYAFB-GOSISDBHSA-N 2 2 310.445 3.250 20 30 DGEDLP CC(C)C[N@@H+](Cc1cc2ccc(C#N)cc2[nH]1)[C@@H]1CCC[NH2+]C1 ZINC001236478356 1099636991 /nfs/dbraw/zinc/63/69/91/1099636991.db2.gz FHKYOGCGFWYAFB-GOSISDBHSA-N 2 2 310.445 3.250 20 30 DGEDLP N#Cc1cc(-c2ccccc2Cn2cc[nH+]c2)cc(C2C[NH2+]C2)c1 ZINC001240350790 1100952661 /nfs/dbraw/zinc/95/26/61/1100952661.db2.gz KHSDAUXZXXUQHZ-UHFFFAOYSA-N 2 2 314.392 3.157 20 30 DGEDLP Cc1cccc(NC[C@@H]2CCC[N@@H+]2Cc2ccc(C#N)c(F)c2)[nH+]1 ZINC001328774999 1104065029 /nfs/dbraw/zinc/06/50/29/1104065029.db2.gz BJTQRJSKGOYAQK-KRWDZBQOSA-N 2 2 324.403 3.477 20 30 DGEDLP Cc1cccc(NC[C@@H]2CCC[N@H+]2Cc2ccc(C#N)c(F)c2)[nH+]1 ZINC001328774999 1104065042 /nfs/dbraw/zinc/06/50/42/1104065042.db2.gz BJTQRJSKGOYAQK-KRWDZBQOSA-N 2 2 324.403 3.477 20 30 DGEDLP N#CC1(c2ccccc2)CC([NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)C1 ZINC001329115902 1104158927 /nfs/dbraw/zinc/15/89/27/1104158927.db2.gz ZLGVKLHFLSIIIO-WBFXSEPVSA-N 2 2 309.457 3.217 20 30 DGEDLP N#CC1(c2ccccc2)CC([NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)C1 ZINC001329115902 1104158928 /nfs/dbraw/zinc/15/89/28/1104158928.db2.gz ZLGVKLHFLSIIIO-WBFXSEPVSA-N 2 2 309.457 3.217 20 30 DGEDLP C=CCCC[NH2+][C@@H]1CN(C(=O)c2c(C)cc(C)[nH+]c2C)C[C@@H]1C ZINC001274230192 1104333395 /nfs/dbraw/zinc/33/33/95/1104333395.db2.gz XWEZRAHWGXSQFZ-WMLDXEAASA-N 2 2 315.461 3.023 20 30 DGEDLP C=CCCCCCC[C@H](O)C[N@@H+](CC[NH3+])Cc1ccccc1 ZINC001246054764 1104361032 /nfs/dbraw/zinc/36/10/32/1104361032.db2.gz JIOAYSOTMHVISY-IBGZPJMESA-N 2 2 304.478 3.335 20 30 DGEDLP C=CCCCCCC[C@H](O)C[N@H+](CC[NH3+])Cc1ccccc1 ZINC001246054764 1104361043 /nfs/dbraw/zinc/36/10/43/1104361043.db2.gz JIOAYSOTMHVISY-IBGZPJMESA-N 2 2 304.478 3.335 20 30 DGEDLP C=CCCC[NH2+][C@@]12CC[C@@]([NH2+]Cc3nccn3CC)(C1)CCC2 ZINC001274964844 1104556820 /nfs/dbraw/zinc/55/68/20/1104556820.db2.gz YRVMYIZDQQELMJ-RBUKOAKNSA-N 2 2 316.493 3.394 20 30 DGEDLP C=CCCC[NH+]1CCC2(C[NH+](Cc3nc4ccccc4[nH]3)C2)CC1 ZINC001274962529 1104557571 /nfs/dbraw/zinc/55/75/71/1104557571.db2.gz ODAHJWBWYSAVEW-UHFFFAOYSA-N 2 2 324.472 3.427 20 30 DGEDLP C=C1C[C@@H]2CC([NH2+][C@@H](C[NH3+])c3cccc(OC)c3)C[C@H](C1)C2 ZINC001246514037 1104572130 /nfs/dbraw/zinc/57/21/30/1104572130.db2.gz ZPJHOVWONCSHKN-GHJKTUIPSA-N 2 2 300.446 3.420 20 30 DGEDLP C=CCCCCCC[N@@H+]1CC[C@H]2CN(CCn3cc[nH+]c3)C[C@H]21 ZINC001276041125 1105003648 /nfs/dbraw/zinc/00/36/48/1105003648.db2.gz HHKOMYNJGJNLDF-RBUKOAKNSA-N 2 2 316.493 3.026 20 30 DGEDLP C=CCCCCCC[N@H+]1CC[C@H]2CN(CCn3cc[nH+]c3)C[C@H]21 ZINC001276041125 1105003655 /nfs/dbraw/zinc/00/36/55/1105003655.db2.gz HHKOMYNJGJNLDF-RBUKOAKNSA-N 2 2 316.493 3.026 20 30 DGEDLP C=CCC[C@H](O)C[NH2+]C1CC[NH+](Cc2cccc(F)c2C)CC1 ZINC001252620192 1105805305 /nfs/dbraw/zinc/80/53/05/1105805305.db2.gz RQCAPSISWLWQPT-SFHVURJKSA-N 2 2 320.452 3.015 20 30 DGEDLP C=CCCCCCC[C@H](O)C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC001253238033 1105906940 /nfs/dbraw/zinc/90/69/40/1105906940.db2.gz ANJWVZRSQLPUNY-SFHVURJKSA-N 2 2 305.466 3.408 20 30 DGEDLP Cc1cccc(NC[C@H]2CCC[N@@H+]2Cc2ccccc2C#N)[nH+]1 ZINC001253433515 1105938902 /nfs/dbraw/zinc/93/89/02/1105938902.db2.gz JPMYRQWBIKQKIK-GOSISDBHSA-N 2 2 306.413 3.338 20 30 DGEDLP Cc1cccc(NC[C@H]2CCC[N@H+]2Cc2ccccc2C#N)[nH+]1 ZINC001253433515 1105938907 /nfs/dbraw/zinc/93/89/07/1105938907.db2.gz JPMYRQWBIKQKIK-GOSISDBHSA-N 2 2 306.413 3.338 20 30 DGEDLP C[N@@H+]1CCC[C@H]1C[NH2+]C1CCC(C#N)(c2ccc(F)cc2)CC1 ZINC001254345299 1106056999 /nfs/dbraw/zinc/05/69/99/1106056999.db2.gz WKRFXWOXNNXIFB-XBMUEBEBSA-N 2 2 315.436 3.213 20 30 DGEDLP C[N@H+]1CCC[C@H]1C[NH2+]C1CCC(C#N)(c2ccc(F)cc2)CC1 ZINC001254345299 1106057003 /nfs/dbraw/zinc/05/70/03/1106057003.db2.gz WKRFXWOXNNXIFB-XBMUEBEBSA-N 2 2 315.436 3.213 20 30 DGEDLP N#C[C@H]1CC[C@@H]([NH+]2CCC([NH3+])(c3ccc(Cl)cc3)CC2)C1 ZINC001254646561 1106120763 /nfs/dbraw/zinc/12/07/63/1106120763.db2.gz BHVVCCSNDUVCQY-XJKSGUPXSA-N 2 2 303.837 3.282 20 30 DGEDLP N#C[C@@H]1CC[C@@H]([NH+]2CCC([NH3+])(c3cccc(Cl)c3)CC2)C1 ZINC001254646710 1106121595 /nfs/dbraw/zinc/12/15/95/1106121595.db2.gz CHHATYKYDVTWDT-CZUORRHYSA-N 2 2 303.837 3.282 20 30 DGEDLP C[C@H]1C[C@@H]([NH2+]Cc2cc(C#N)co2)CC[N@@H+]1Cc1ccccc1 ZINC001256535039 1106435122 /nfs/dbraw/zinc/43/51/22/1106435122.db2.gz CCYPJRNBKUIXPP-YJBOKZPZSA-N 2 2 309.413 3.294 20 30 DGEDLP C[C@H]1C[C@@H]([NH2+]Cc2cc(C#N)co2)CC[N@H+]1Cc1ccccc1 ZINC001256535039 1106435127 /nfs/dbraw/zinc/43/51/27/1106435127.db2.gz CCYPJRNBKUIXPP-YJBOKZPZSA-N 2 2 309.413 3.294 20 30 DGEDLP C[C@H]1C[C@H]([NH2+]Cc2cc(C#N)co2)CC[N@@H+]1Cc1ccccc1 ZINC001256535036 1106435614 /nfs/dbraw/zinc/43/56/14/1106435614.db2.gz CCYPJRNBKUIXPP-MAUKXSAKSA-N 2 2 309.413 3.294 20 30 DGEDLP C[C@H]1C[C@H]([NH2+]Cc2cc(C#N)co2)CC[N@H+]1Cc1ccccc1 ZINC001256535036 1106435615 /nfs/dbraw/zinc/43/56/15/1106435615.db2.gz CCYPJRNBKUIXPP-MAUKXSAKSA-N 2 2 309.413 3.294 20 30 DGEDLP C=CCC[C@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1OC ZINC001258726442 1106930700 /nfs/dbraw/zinc/93/07/00/1106930700.db2.gz UMVIXSZGUVYPBL-QXAKKESOSA-N 2 2 302.462 3.220 20 30 DGEDLP C=CCC[C@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1OC ZINC001258726442 1106930712 /nfs/dbraw/zinc/93/07/12/1106930712.db2.gz UMVIXSZGUVYPBL-QXAKKESOSA-N 2 2 302.462 3.220 20 30 DGEDLP C=CCC[C@@H](C)[NH+]1CCC2(CCC[N@@H+]2Cc2ccn(C)n2)CC1 ZINC001258730982 1106937480 /nfs/dbraw/zinc/93/74/80/1106937480.db2.gz STVMMTQYBWISRT-QGZVFWFLSA-N 2 2 316.493 3.205 20 30 DGEDLP C=CCC[C@@H](C)[NH+]1CCC2(CCC[N@H+]2Cc2ccn(C)n2)CC1 ZINC001258730982 1106937490 /nfs/dbraw/zinc/93/74/90/1106937490.db2.gz STVMMTQYBWISRT-QGZVFWFLSA-N 2 2 316.493 3.205 20 30 DGEDLP CC[C@H]([NH2+]CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc(C#N)cc1 ZINC000278317391 214086359 /nfs/dbraw/zinc/08/63/59/214086359.db2.gz UQZGQNSJZFNBEQ-FCEWJHQRSA-N 2 2 315.461 3.098 20 30 DGEDLP CC[C@H]([NH2+]CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc(C#N)cc1 ZINC000278317391 214086360 /nfs/dbraw/zinc/08/63/60/214086360.db2.gz UQZGQNSJZFNBEQ-FCEWJHQRSA-N 2 2 315.461 3.098 20 30 DGEDLP C[C@H]1CC[N@H+](CC#Cc2cccc(Cl)c2)C[C@@H]1n1cc[nH+]c1 ZINC000129412032 432004620 /nfs/dbraw/zinc/00/46/20/432004620.db2.gz HNJHZYFMABWZKK-YJBOKZPZSA-N 2 2 313.832 3.471 20 30 DGEDLP C[C@H]1CC[N@@H+](CC#Cc2cccc(Cl)c2)C[C@@H]1n1cc[nH+]c1 ZINC000129412032 432004621 /nfs/dbraw/zinc/00/46/21/432004621.db2.gz HNJHZYFMABWZKK-YJBOKZPZSA-N 2 2 313.832 3.471 20 30 DGEDLP C=CC[NH+]1CCC([NH2+][C@H](C)c2cc(OC)c(OC)cc2C)CC1 ZINC000177905746 186201992 /nfs/dbraw/zinc/20/19/92/186201992.db2.gz YLKWJHXWOJIXOL-OAHLLOKOSA-N 2 2 318.461 3.313 20 30 DGEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CCCOc3ccc(F)cc32)CC1 ZINC000177906225 186202384 /nfs/dbraw/zinc/20/23/84/186202384.db2.gz LTKUEKFHDQJXPE-QGZVFWFLSA-N 2 2 304.409 3.279 20 30 DGEDLP C=CC[NH+]1CCC([NH2+]Cc2cccc3c2OC(C)(C)C3)CC1 ZINC000172629878 198128488 /nfs/dbraw/zinc/12/84/88/198128488.db2.gz OFSYULHWWNPASB-UHFFFAOYSA-N 2 2 300.446 3.140 20 30 DGEDLP N#Cc1cccc(C[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)c1 ZINC000180158019 432080058 /nfs/dbraw/zinc/08/00/58/432080058.db2.gz BGVNIPIFXBBGBI-UHFFFAOYSA-N 2 2 311.351 3.065 20 30 DGEDLP N#Cc1ccc(F)c(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c1 ZINC000134884153 432088255 /nfs/dbraw/zinc/08/82/55/432088255.db2.gz BGRSMVCDEQPTIM-BEFAXECRSA-N 2 2 313.420 3.146 20 30 DGEDLP N#Cc1ccc(F)c(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c1 ZINC000134884153 432088257 /nfs/dbraw/zinc/08/82/57/432088257.db2.gz BGRSMVCDEQPTIM-BEFAXECRSA-N 2 2 313.420 3.146 20 30 DGEDLP N#Cc1ccc(F)c(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000134884153 432088259 /nfs/dbraw/zinc/08/82/59/432088259.db2.gz BGRSMVCDEQPTIM-BEFAXECRSA-N 2 2 313.420 3.146 20 30 DGEDLP N#Cc1ccc(F)c(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000134884153 432088261 /nfs/dbraw/zinc/08/82/61/432088261.db2.gz BGRSMVCDEQPTIM-BEFAXECRSA-N 2 2 313.420 3.146 20 30 DGEDLP C=CC[NH+](CC=C)[C@@H](C[NH2+][C@H]1[C@H]2CCO[C@H]2C12CCC2)C(C)C ZINC000493897959 246094188 /nfs/dbraw/zinc/09/41/88/246094188.db2.gz SOXYGIBRMWDBDS-YDZRNGNQSA-N 2 2 318.505 3.232 20 30 DGEDLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H](C)c2cccc(C#N)c2)cn1 ZINC000181540789 432133834 /nfs/dbraw/zinc/13/38/34/432133834.db2.gz DDRNTRCCJCINMP-CQSZACIVSA-N 2 2 317.396 3.298 20 30 DGEDLP N#Cc1ccc(F)c(C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c1 ZINC000157341339 197181099 /nfs/dbraw/zinc/18/10/99/197181099.db2.gz TVAGSHUFSMXGMM-QGZVFWFLSA-N 2 2 301.409 3.148 20 30 DGEDLP N#Cc1ccc(F)c(C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c1 ZINC000157341339 197181100 /nfs/dbraw/zinc/18/11/00/197181100.db2.gz TVAGSHUFSMXGMM-QGZVFWFLSA-N 2 2 301.409 3.148 20 30 DGEDLP COc1cc(C#N)ccc1C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000121020498 195282133 /nfs/dbraw/zinc/28/21/33/195282133.db2.gz RURWLOFSGUAYCF-GOSISDBHSA-N 2 2 313.445 3.017 20 30 DGEDLP COc1cc(C#N)ccc1C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000121020498 195282135 /nfs/dbraw/zinc/28/21/35/195282135.db2.gz RURWLOFSGUAYCF-GOSISDBHSA-N 2 2 313.445 3.017 20 30 DGEDLP C[C@]1([NH2+]Cc2ccc(C#N)c(F)c2)CC[N@H+](Cc2ccccc2)C1 ZINC000406008496 400300608 /nfs/dbraw/zinc/30/06/08/400300608.db2.gz UDVYQONWRTZIIH-FQEVSTJZSA-N 2 2 323.415 3.452 20 30 DGEDLP C[C@]1([NH2+]Cc2ccc(C#N)c(F)c2)CC[N@@H+](Cc2ccccc2)C1 ZINC000406008496 400300612 /nfs/dbraw/zinc/30/06/12/400300612.db2.gz UDVYQONWRTZIIH-FQEVSTJZSA-N 2 2 323.415 3.452 20 30 DGEDLP CCOc1ccccc1C[N@@H+](CCC#N)CCCn1cc[nH+]c1 ZINC000071114882 400368268 /nfs/dbraw/zinc/36/82/68/400368268.db2.gz KVBFEIDLEVNNGZ-UHFFFAOYSA-N 2 2 312.417 3.088 20 30 DGEDLP CCOc1ccccc1C[N@H+](CCC#N)CCCn1cc[nH+]c1 ZINC000071114882 400368278 /nfs/dbraw/zinc/36/82/78/400368278.db2.gz KVBFEIDLEVNNGZ-UHFFFAOYSA-N 2 2 312.417 3.088 20 30 DGEDLP C[C@H](CCC#N)C[NH2+]C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000602517306 400485736 /nfs/dbraw/zinc/48/57/36/400485736.db2.gz GCBLOKMANUADNK-OAHLLOKOSA-N 2 2 303.425 3.320 20 30 DGEDLP N#CC1(c2ccc(C[NH+]3CCC(c4c[nH]c[nH+]4)CC3)cc2)CC1 ZINC000597008456 400539190 /nfs/dbraw/zinc/53/91/90/400539190.db2.gz JZFLBUOCOPHUME-UHFFFAOYSA-N 2 2 306.413 3.344 20 30 DGEDLP C[C@H]1SCC[C@@H]1[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000592380877 400643173 /nfs/dbraw/zinc/64/31/73/400643173.db2.gz SMKSLYQTDNUVMS-KDOFPFPSSA-N 2 2 315.486 3.006 20 30 DGEDLP C=CCCC[C@H](C)Nc1[nH+]cnc2c1cnn2-c1cc[nH+]cc1 ZINC000183444985 400901069 /nfs/dbraw/zinc/90/10/69/400901069.db2.gz XIVUZIGJXOYRPW-ZDUSSCGKSA-N 2 2 308.389 3.367 20 30 DGEDLP N#Cc1cc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)ccc1F ZINC000246940931 432182538 /nfs/dbraw/zinc/18/25/38/432182538.db2.gz UDYLFWKVAUCAEY-HNAYVOBHSA-N 2 2 313.420 3.146 20 30 DGEDLP N#Cc1cc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)ccc1F ZINC000246940931 432182539 /nfs/dbraw/zinc/18/25/39/432182539.db2.gz UDYLFWKVAUCAEY-HNAYVOBHSA-N 2 2 313.420 3.146 20 30 DGEDLP N#Cc1cc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)ccc1F ZINC000246940931 432182540 /nfs/dbraw/zinc/18/25/40/432182540.db2.gz UDYLFWKVAUCAEY-HNAYVOBHSA-N 2 2 313.420 3.146 20 30 DGEDLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC(C)(C)CCC#N ZINC000174403816 228289969 /nfs/dbraw/zinc/28/99/69/228289969.db2.gz CXSVWUJSCDIVNV-WMZOPIPTSA-N 2 2 314.477 3.212 20 30 DGEDLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC(C)(C)CCC#N ZINC000174403816 228289971 /nfs/dbraw/zinc/28/99/71/228289971.db2.gz CXSVWUJSCDIVNV-WMZOPIPTSA-N 2 2 314.477 3.212 20 30 DGEDLP N#Cc1ccc2c(c1)[C@@H]([NH2+]CCc1cn3ccccc3[nH+]1)CC2 ZINC000353262767 265367304 /nfs/dbraw/zinc/36/73/04/265367304.db2.gz IWIWHKGJDNSBAK-SFHVURJKSA-N 2 2 302.381 3.026 20 30 DGEDLP Cc1cc(C[NH2+]Cc2ccccc2Cn2cc[nH+]c2)ccc1C#N ZINC000348191048 267326361 /nfs/dbraw/zinc/32/63/61/267326361.db2.gz FJNZXKCJNHSUCL-UHFFFAOYSA-N 2 2 316.408 3.401 20 30 DGEDLP N#Cc1ccc(C[NH2+]C2CC[NH+](CC3CCCC3)CC2)c(F)c1 ZINC000501247372 268231960 /nfs/dbraw/zinc/23/19/60/268231960.db2.gz IXBQLWFSMIQLPH-UHFFFAOYSA-N 2 2 315.436 3.442 20 30 DGEDLP N#Cc1cccc(C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000348333611 268249023 /nfs/dbraw/zinc/24/90/23/268249023.db2.gz ZYHDZQWLRZCSAS-OYRHEFFESA-N 2 2 317.436 3.122 20 30 DGEDLP N#Cc1cccc(C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000348333611 268249026 /nfs/dbraw/zinc/24/90/26/268249026.db2.gz ZYHDZQWLRZCSAS-OYRHEFFESA-N 2 2 317.436 3.122 20 30 DGEDLP N#Cc1cccc(C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000348333611 268249029 /nfs/dbraw/zinc/24/90/29/268249029.db2.gz ZYHDZQWLRZCSAS-OYRHEFFESA-N 2 2 317.436 3.122 20 30 DGEDLP N#Cc1cccc(C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000348333611 268249030 /nfs/dbraw/zinc/24/90/30/268249030.db2.gz ZYHDZQWLRZCSAS-OYRHEFFESA-N 2 2 317.436 3.122 20 30 DGEDLP CC(C)(C)c1cn2c([nH+]1)CC[C@H]([NH2+][C@H]1CCC[C@@H](C#N)C1)C2 ZINC000332584746 277270943 /nfs/dbraw/zinc/27/09/43/277270943.db2.gz CAYSEIYCZIMGII-ILXRZTDVSA-N 2 2 300.450 3.167 20 30 DGEDLP N#Cc1ccc(C[NH2+]C[C@H]2CCC[N@@H+]2Cc2ccccc2)cc1 ZINC000114772275 431413645 /nfs/dbraw/zinc/41/36/45/431413645.db2.gz AOFJIQORRLPWOJ-HXUWFJFHSA-N 2 2 305.425 3.312 20 30 DGEDLP N#Cc1ccc(C[NH2+]C[C@H]2CCC[N@H+]2Cc2ccccc2)cc1 ZINC000114772275 431413654 /nfs/dbraw/zinc/41/36/54/431413654.db2.gz AOFJIQORRLPWOJ-HXUWFJFHSA-N 2 2 305.425 3.312 20 30 DGEDLP C[C@@H]1CC[N@H+](Cc2cn3ccccc3c2C#N)C[C@@H]1n1cc[nH+]c1 ZINC000122853823 431847349 /nfs/dbraw/zinc/84/73/49/431847349.db2.gz DHBJDSMGZSOPHF-BEFAXECRSA-N 2 2 319.412 3.091 20 30 DGEDLP C[C@@H]1CC[N@@H+](Cc2cn3ccccc3c2C#N)C[C@@H]1n1cc[nH+]c1 ZINC000122853823 431847350 /nfs/dbraw/zinc/84/73/50/431847350.db2.gz DHBJDSMGZSOPHF-BEFAXECRSA-N 2 2 319.412 3.091 20 30 DGEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2nc3c(s2)C[C@@H](C)CC3)CC1 ZINC000152579931 432340722 /nfs/dbraw/zinc/34/07/22/432340722.db2.gz UFARISVVGZAOJD-AWEZNQCLSA-N 2 2 319.518 3.398 20 30 DGEDLP CC(C)(C[NH2+][C@H]1CCC[C@@H](C#N)C1)[N@@H+]1CCc2ccccc2C1 ZINC000185800942 432533816 /nfs/dbraw/zinc/53/38/16/432533816.db2.gz DBYAEKUMYUNDEZ-APWZRJJASA-N 2 2 311.473 3.495 20 30 DGEDLP CC(C)(C[NH2+][C@H]1CCC[C@@H](C#N)C1)[N@H+]1CCc2ccccc2C1 ZINC000185800942 432533821 /nfs/dbraw/zinc/53/38/21/432533821.db2.gz DBYAEKUMYUNDEZ-APWZRJJASA-N 2 2 311.473 3.495 20 30 DGEDLP N#Cc1ccc(C[NH2+]CCC[N@@H+]2CCc3ccccc3C2)s1 ZINC000176944722 432568308 /nfs/dbraw/zinc/56/83/08/432568308.db2.gz WWTDNNWORAOXIB-UHFFFAOYSA-N 2 2 311.454 3.158 20 30 DGEDLP N#Cc1ccc(C[NH2+]CCC[N@H+]2CCc3ccccc3C2)s1 ZINC000176944722 432568313 /nfs/dbraw/zinc/56/83/13/432568313.db2.gz WWTDNNWORAOXIB-UHFFFAOYSA-N 2 2 311.454 3.158 20 30 DGEDLP C[C@H]([NH2+]C1CC[NH+](Cc2ccncc2)CC1)c1cccc(C#N)c1 ZINC000178176458 432702701 /nfs/dbraw/zinc/70/27/01/432702701.db2.gz JWDRTCQVSDVWTE-INIZCTEOSA-N 2 2 320.440 3.268 20 30 DGEDLP C[NH+](C)[C@H]1CCC[N@H+](CC#Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000277186570 432830179 /nfs/dbraw/zinc/83/01/79/432830179.db2.gz LRINDFYSFUQMRW-KRWDZBQOSA-N 2 2 324.390 3.473 20 30 DGEDLP C[NH+](C)[C@H]1CCC[N@@H+](CC#Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000277186570 432830181 /nfs/dbraw/zinc/83/01/81/432830181.db2.gz LRINDFYSFUQMRW-KRWDZBQOSA-N 2 2 324.390 3.473 20 30 DGEDLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@H](C)CCC#N ZINC000276307263 432794589 /nfs/dbraw/zinc/79/45/89/432794589.db2.gz LILOVXQHVDFMGK-MRXNPFEDSA-N 2 2 300.450 3.312 20 30 DGEDLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@H](C)CCC#N ZINC000276307263 432794593 /nfs/dbraw/zinc/79/45/93/432794593.db2.gz LILOVXQHVDFMGK-MRXNPFEDSA-N 2 2 300.450 3.312 20 30 DGEDLP C[C@@H](C#N)Oc1ccc(C[N@@H+]2CCC[C@H](c3[nH+]ccn3C)C2)cc1 ZINC000373230965 433137567 /nfs/dbraw/zinc/13/75/67/433137567.db2.gz OIVPAAGSKSUYNN-RDJZCZTQSA-N 2 2 324.428 3.091 20 30 DGEDLP C[C@@H](C#N)Oc1ccc(C[N@H+]2CCC[C@H](c3[nH+]ccn3C)C2)cc1 ZINC000373230965 433137575 /nfs/dbraw/zinc/13/75/75/433137575.db2.gz OIVPAAGSKSUYNN-RDJZCZTQSA-N 2 2 324.428 3.091 20 30 DGEDLP C[C@H](C#N)Oc1ccc(C[N@@H+]2CCC[C@H](c3[nH+]ccn3C)C2)cc1 ZINC000373230966 433139133 /nfs/dbraw/zinc/13/91/33/433139133.db2.gz OIVPAAGSKSUYNN-WBVHZDCISA-N 2 2 324.428 3.091 20 30 DGEDLP C[C@H](C#N)Oc1ccc(C[N@H+]2CCC[C@H](c3[nH+]ccn3C)C2)cc1 ZINC000373230966 433139137 /nfs/dbraw/zinc/13/91/37/433139137.db2.gz OIVPAAGSKSUYNN-WBVHZDCISA-N 2 2 324.428 3.091 20 30 DGEDLP C[C@H](c1cccc(C#N)c1)[N@H+](C)Cc1ncc(C[NH+](C)C)s1 ZINC000425364999 433200349 /nfs/dbraw/zinc/20/03/49/433200349.db2.gz IEOAWZWJNWVALX-CYBMUJFWSA-N 2 2 314.458 3.269 20 30 DGEDLP C[C@H](c1cccc(C#N)c1)[N@@H+](C)Cc1ncc(C[NH+](C)C)s1 ZINC000425364999 433200358 /nfs/dbraw/zinc/20/03/58/433200358.db2.gz IEOAWZWJNWVALX-CYBMUJFWSA-N 2 2 314.458 3.269 20 30 DGEDLP C=C(C)C[NH+]1CCC([NH2+][C@H](c2cncc(F)c2)C2CC2)CC1 ZINC000281340065 433290934 /nfs/dbraw/zinc/29/09/34/433290934.db2.gz UNABMZCKOAMQKQ-SFHVURJKSA-N 2 2 303.425 3.302 20 30 DGEDLP Cc1cccc(NC[C@@H]2CCC[N@@H+]2Cc2ccc(C#N)s2)[nH+]1 ZINC000362086595 433516899 /nfs/dbraw/zinc/51/68/99/433516899.db2.gz MDHIXYOTXWNYCZ-AWEZNQCLSA-N 2 2 312.442 3.400 20 30 DGEDLP Cc1cccc(NC[C@@H]2CCC[N@H+]2Cc2ccc(C#N)s2)[nH+]1 ZINC000362086595 433516908 /nfs/dbraw/zinc/51/69/08/433516908.db2.gz MDHIXYOTXWNYCZ-AWEZNQCLSA-N 2 2 312.442 3.400 20 30 DGEDLP Cc1cc(C[NH2+][C@@H](C)C[N@H+](C)Cc2ccccc2)ccc1C#N ZINC000342419305 433676796 /nfs/dbraw/zinc/67/67/96/433676796.db2.gz JMHOLYXXAIZBLU-KRWDZBQOSA-N 2 2 307.441 3.477 20 30 DGEDLP Cc1cc(C[NH2+][C@@H](C)C[N@@H+](C)Cc2ccccc2)ccc1C#N ZINC000342419305 433676805 /nfs/dbraw/zinc/67/68/05/433676805.db2.gz JMHOLYXXAIZBLU-KRWDZBQOSA-N 2 2 307.441 3.477 20 30 DGEDLP C=C(C)CC[NH+](C)C[C@H]1CCC[N@@H+](CC)[C@@H]1c1cnn(C)c1 ZINC000352414100 434044459 /nfs/dbraw/zinc/04/44/59/434044459.db2.gz RYEDJWPNAFWRCA-AEFFLSMTSA-N 2 2 304.482 3.091 20 30 DGEDLP C=C(C)CC[NH+](C)C[C@H]1CCC[N@H+](CC)[C@@H]1c1cnn(C)c1 ZINC000352414100 434044465 /nfs/dbraw/zinc/04/44/65/434044465.db2.gz RYEDJWPNAFWRCA-AEFFLSMTSA-N 2 2 304.482 3.091 20 30 DGEDLP C=C(C)CC[N@@H+](C)C[C@H]1CCC[NH+](CC)[C@@H]1c1cnn(C)c1 ZINC000352414100 434044468 /nfs/dbraw/zinc/04/44/68/434044468.db2.gz RYEDJWPNAFWRCA-AEFFLSMTSA-N 2 2 304.482 3.091 20 30 DGEDLP C=C(C)CC[N@H+](C)C[C@H]1CCC[NH+](CC)[C@@H]1c1cnn(C)c1 ZINC000352414100 434044474 /nfs/dbraw/zinc/04/44/74/434044474.db2.gz RYEDJWPNAFWRCA-AEFFLSMTSA-N 2 2 304.482 3.091 20 30 DGEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)c2ccc(OC)c(OC)c2C)CC1 ZINC000286023569 434141248 /nfs/dbraw/zinc/14/12/48/434141248.db2.gz JXPSRRUWUJNFJW-HNNXBMFYSA-N 2 2 318.461 3.313 20 30 DGEDLP C#CCCOc1ccc(C[N@H+]2CCC[C@H](c3[nH+]ccn3C)C2)cc1 ZINC000365836576 434312678 /nfs/dbraw/zinc/31/26/78/434312678.db2.gz VLMVZDCRGQTNID-SFHVURJKSA-N 2 2 323.440 3.202 20 30 DGEDLP C#CCCOc1ccc(C[N@@H+]2CCC[C@H](c3[nH+]ccn3C)C2)cc1 ZINC000365836576 434312687 /nfs/dbraw/zinc/31/26/87/434312687.db2.gz VLMVZDCRGQTNID-SFHVURJKSA-N 2 2 323.440 3.202 20 30 DGEDLP COc1cc(C[NH2+]Cc2ccccc2-n2cc[nH+]c2)ccc1C#N ZINC000368522835 434576831 /nfs/dbraw/zinc/57/68/31/434576831.db2.gz RQJAIBBCQSNNPK-UHFFFAOYSA-N 2 2 318.380 3.042 20 30 DGEDLP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2ccc(C#N)cc2Cl)C1 ZINC000439451159 434605254 /nfs/dbraw/zinc/60/52/54/434605254.db2.gz LUQIFTXNISZYPX-OAHLLOKOSA-N 2 2 305.853 3.375 20 30 DGEDLP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2Cl)C1 ZINC000439451159 434605256 /nfs/dbraw/zinc/60/52/56/434605256.db2.gz LUQIFTXNISZYPX-OAHLLOKOSA-N 2 2 305.853 3.375 20 30 DGEDLP N#CCC[C@H](C#N)C[NH2+]Cc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000577999575 435061731 /nfs/dbraw/zinc/06/17/31/435061731.db2.gz WFCBTXVZTREZLM-CYBMUJFWSA-N 2 2 313.792 3.059 20 30 DGEDLP Cc1cc(NC[C@@H](c2ccc(Cl)cc2)[NH+](C)C)c(C#N)c[nH+]1 ZINC000515056034 435458104 /nfs/dbraw/zinc/45/81/04/435458104.db2.gz YZPKBBGMHFXXQT-KRWDZBQOSA-N 2 2 314.820 3.052 20 30 DGEDLP C=CC[C@@H]1CC[C@@H]([NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000651681938 435789364 /nfs/dbraw/zinc/78/93/64/435789364.db2.gz GEEXCWCTKVDONC-YLJYHZDGSA-N 2 2 314.473 3.353 20 30 DGEDLP C=CC[NH+]1CCC([NH2+][C@@H]2C[C@H](Oc3ccccc3)C2(C)C)CC1 ZINC000572189824 435792045 /nfs/dbraw/zinc/79/20/45/435792045.db2.gz JRODIWSHUGXKRY-MOPGFXCFSA-N 2 2 314.473 3.473 20 30 DGEDLP C[N@@H+]1CC[C@]2(C1)CCC[NH+](CC#Cc1cccc(Cl)c1)C2 ZINC000660658968 435843676 /nfs/dbraw/zinc/84/36/76/435843676.db2.gz IGHAFHPQIZHMJH-SFHVURJKSA-N 2 2 302.849 3.109 20 30 DGEDLP C[N@H+]1CC[C@]2(C1)CCC[NH+](CC#Cc1cccc(Cl)c1)C2 ZINC000660658968 435843679 /nfs/dbraw/zinc/84/36/79/435843679.db2.gz IGHAFHPQIZHMJH-SFHVURJKSA-N 2 2 302.849 3.109 20 30 DGEDLP C[NH+]1CC[C@]2(C1)CCC[N@H+](CC#Cc1cccc(Cl)c1)C2 ZINC000660658968 435843685 /nfs/dbraw/zinc/84/36/85/435843685.db2.gz IGHAFHPQIZHMJH-SFHVURJKSA-N 2 2 302.849 3.109 20 30 DGEDLP C[NH+]1CC[C@]2(C1)CCC[N@@H+](CC#Cc1cccc(Cl)c1)C2 ZINC000660658968 435843689 /nfs/dbraw/zinc/84/36/89/435843689.db2.gz IGHAFHPQIZHMJH-SFHVURJKSA-N 2 2 302.849 3.109 20 30 DGEDLP C=CCc1cc(C[NH2+]C[C@H]2CC[N@@H+]2C(C)(C)C)cc(OC)c1O ZINC000657525830 436235459 /nfs/dbraw/zinc/23/54/59/436235459.db2.gz XDULACKTXFWCBV-MRXNPFEDSA-N 2 2 318.461 3.092 20 30 DGEDLP C=CCc1cc(C[NH2+]C[C@H]2CC[N@H+]2C(C)(C)C)cc(OC)c1O ZINC000657525830 436235464 /nfs/dbraw/zinc/23/54/64/436235464.db2.gz XDULACKTXFWCBV-MRXNPFEDSA-N 2 2 318.461 3.092 20 30 DGEDLP C[C@@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1ccc(C#N)cc1Cl ZINC000555788498 314736118 /nfs/dbraw/zinc/73/61/18/314736118.db2.gz KUONZZYJKUDLAF-YPMHNXCESA-N 2 2 300.793 3.074 20 30 DGEDLP C[C@@H]([NH2+]Cc1ccc(F)cc1C#N)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185724417 323394589 /nfs/dbraw/zinc/39/45/89/323394589.db2.gz RQRSHHIURIPENF-GDBMZVCRSA-N 2 2 315.436 3.440 20 30 DGEDLP C[C@@H]([NH2+]Cc1ccc(F)cc1C#N)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185724417 323394593 /nfs/dbraw/zinc/39/45/93/323394593.db2.gz RQRSHHIURIPENF-GDBMZVCRSA-N 2 2 315.436 3.440 20 30 DGEDLP Cc1cc(C[NH2+][C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)ccc1C#N ZINC000443994230 533724577 /nfs/dbraw/zinc/72/45/77/533724577.db2.gz CWAVVZOVXYWWJW-DYESRHJHSA-N 2 2 319.452 3.477 20 30 DGEDLP Cc1cc(C[NH2+][C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)ccc1C#N ZINC000443994230 533724588 /nfs/dbraw/zinc/72/45/88/533724588.db2.gz CWAVVZOVXYWWJW-DYESRHJHSA-N 2 2 319.452 3.477 20 30 DGEDLP Cc1cc(C[NH2+][C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)ccc1C#N ZINC000443994233 533736715 /nfs/dbraw/zinc/73/67/15/533736715.db2.gz CWAVVZOVXYWWJW-UTKZUKDTSA-N 2 2 319.452 3.477 20 30 DGEDLP Cc1cc(C[NH2+][C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)ccc1C#N ZINC000443994233 533736722 /nfs/dbraw/zinc/73/67/22/533736722.db2.gz CWAVVZOVXYWWJW-UTKZUKDTSA-N 2 2 319.452 3.477 20 30 DGEDLP N#CC1(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)CC1 ZINC000347425580 534550086 /nfs/dbraw/zinc/55/00/86/534550086.db2.gz LCBYVVQUBMGYFX-RTBURBONSA-N 2 2 309.457 3.277 20 30 DGEDLP N#CC1(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)CC1 ZINC000347425580 534550091 /nfs/dbraw/zinc/55/00/91/534550091.db2.gz LCBYVVQUBMGYFX-RTBURBONSA-N 2 2 309.457 3.277 20 30 DGEDLP N#CC1(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)CC1 ZINC000347425580 534550096 /nfs/dbraw/zinc/55/00/96/534550096.db2.gz LCBYVVQUBMGYFX-RTBURBONSA-N 2 2 309.457 3.277 20 30 DGEDLP N#CC1(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)CC1 ZINC000347425580 534550100 /nfs/dbraw/zinc/55/01/00/534550100.db2.gz LCBYVVQUBMGYFX-RTBURBONSA-N 2 2 309.457 3.277 20 30 DGEDLP Clc1ccc(C#CC[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)cc1 ZINC000177309931 534638089 /nfs/dbraw/zinc/63/80/89/534638089.db2.gz UMNIOTRLFUETIP-GOSISDBHSA-N 2 2 316.876 3.499 20 30 DGEDLP Clc1ccc(C#CC[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)cc1 ZINC000177309931 534638095 /nfs/dbraw/zinc/63/80/95/534638095.db2.gz UMNIOTRLFUETIP-GOSISDBHSA-N 2 2 316.876 3.499 20 30 DGEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)CC1 ZINC000340231047 526453932 /nfs/dbraw/zinc/45/39/32/526453932.db2.gz MPAXTFAEMYQOTC-WOJBJXKFSA-N 3 2 313.489 3.062 20 30 DGEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)CC1 ZINC000340231047 526453938 /nfs/dbraw/zinc/45/39/38/526453938.db2.gz MPAXTFAEMYQOTC-WOJBJXKFSA-N 3 2 313.489 3.062 20 30 DGEDLP C=C(C)C[N@H+](CCC[NH+]1CCCCC1)Cc1ccc(CO)o1 ZINC000352815737 526551469 /nfs/dbraw/zinc/55/14/69/526551469.db2.gz NAAVAYYSLIUZTI-UHFFFAOYSA-N 2 2 306.450 3.026 20 30 DGEDLP C=C(C)C[N@@H+](CCC[NH+]1CCCCC1)Cc1ccc(CO)o1 ZINC000352815737 526551475 /nfs/dbraw/zinc/55/14/75/526551475.db2.gz NAAVAYYSLIUZTI-UHFFFAOYSA-N 2 2 306.450 3.026 20 30 DGEDLP C=C(C)C[N@H+](CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000352479065 526552403 /nfs/dbraw/zinc/55/24/03/526552403.db2.gz AGJJTPXRLOGVTQ-UHFFFAOYSA-N 2 2 324.222 3.317 20 30 DGEDLP C=C(C)C[N@@H+](CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000352479065 526552406 /nfs/dbraw/zinc/55/24/06/526552406.db2.gz AGJJTPXRLOGVTQ-UHFFFAOYSA-N 2 2 324.222 3.317 20 30 DGEDLP CC[NH+](CC)[C@H](C[NH2+][C@H]1CC[C@@H](C#N)C1)c1cccc(OC)c1 ZINC000442632882 528282059 /nfs/dbraw/zinc/28/20/59/528282059.db2.gz AUFIJQIMQWABFY-HHXXYDBFSA-N 2 2 315.461 3.360 20 30 DGEDLP C=CC[NH+](CC=C)[C@@H](C[NH2+][C@@H](C)C1CC[NH+](C)CC1)C(C)C ZINC000152073749 545999521 /nfs/dbraw/zinc/99/95/21/545999521.db2.gz RKAOSSXTWYAIAN-HKUYNNGSSA-N 3 2 307.526 3.005 20 30 DGEDLP C=CC[C@@]1(C(=O)Nc2cccc(-c3[nH]c(C)c(C)[nH+]3)c2)CCC[NH2+]1 ZINC000852863016 620653016 /nfs/dbraw/zinc/65/30/16/620653016.db2.gz PBUYVHDOQAEAOY-IBGZPJMESA-N 2 2 324.428 3.330 20 30 DGEDLP Oc1cccc(/C=[NH+]\CC2CC[NH+](Cc3ccccc3)CC2)c1O ZINC000920387258 620798685 /nfs/dbraw/zinc/79/86/85/620798685.db2.gz NMQMBHWBPSSJKW-STZFKDTASA-N 2 2 324.424 3.429 20 30 DGEDLP C=CCOc1ccccc1C[NH+]1CCC(C)([NH+]2CCC2)CC1 ZINC000895672028 618816186 /nfs/dbraw/zinc/81/61/86/618816186.db2.gz UEZLAKDISOXJQG-UHFFFAOYSA-N 2 2 300.446 3.312 20 30 DGEDLP C=C(CC[NH+](C)C)C(=O)Nc1cccc(-c2[nH]c(C)c(C)[nH+]2)c1 ZINC000900347716 619424250 /nfs/dbraw/zinc/42/42/50/619424250.db2.gz ZYXHWIQKCATINI-UHFFFAOYSA-N 2 2 312.417 3.140 20 30 DGEDLP C[C@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)c1cc(C#N)ccn1 ZINC000902721311 619665762 /nfs/dbraw/zinc/66/57/62/619665762.db2.gz VHFMHTWBJNDYLM-INIZCTEOSA-N 2 2 320.440 3.268 20 30 DGEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CCC[C@H](C3CCOCC3)C2)CC1 ZINC000902795125 619677657 /nfs/dbraw/zinc/67/76/57/619677657.db2.gz ALMHZGPCGPBRHS-PKOBYXMFSA-N 2 2 306.494 3.212 20 30 DGEDLP CC[NH+](CC)CCC[C@H](C)[NH2+][C@H](C)c1cccc(C#N)c1O ZINC000866212755 622067247 /nfs/dbraw/zinc/06/72/47/622067247.db2.gz UXACFQYWGSBUHM-LSDHHAIUSA-N 2 2 303.450 3.425 20 30 DGEDLP C[C@@H]([NH2+]CC1(C[NH+](C)C)CCCC1)c1cccc(C#N)c1O ZINC000866339099 622097440 /nfs/dbraw/zinc/09/74/40/622097440.db2.gz DNYKWNPJXUGHGW-CQSZACIVSA-N 2 2 301.434 3.036 20 30 DGEDLP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1)c1cccc(C#N)c1O ZINC000866392740 622109938 /nfs/dbraw/zinc/10/99/38/622109938.db2.gz GHTMHCOMFQEWDF-HOCLYGCPSA-N 2 2 313.445 3.036 20 30 DGEDLP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1)c1cccc(C#N)c1O ZINC000866392740 622109939 /nfs/dbraw/zinc/10/99/39/622109939.db2.gz GHTMHCOMFQEWDF-HOCLYGCPSA-N 2 2 313.445 3.036 20 30 DGEDLP CC(C)[NH+]1CCC(CC[NH2+][C@H](C)c2cccc(C#N)c2O)CC1 ZINC000866469619 622123347 /nfs/dbraw/zinc/12/33/47/622123347.db2.gz NWFJBSGDKWKDIQ-OAHLLOKOSA-N 2 2 315.461 3.425 20 30 DGEDLP C[NH+](C)c1ccc(N2CCC([NH2+]CCCCC#N)CC2)cc1 ZINC000765731484 622284245 /nfs/dbraw/zinc/28/42/45/622284245.db2.gz RSSZINBZRUVMFX-UHFFFAOYSA-N 2 2 300.450 3.005 20 30 DGEDLP C[NH+](C)CC[C@H]([NH2+]Cc1cc(C#N)cnc1Cl)C(C)(C)C ZINC000877037421 623773080 /nfs/dbraw/zinc/77/30/80/623773080.db2.gz QOOMYXBMOJAABL-AWEZNQCLSA-N 2 2 308.857 3.063 20 30 DGEDLP N#Cc1ccc(C[NH+]2CCN(c3cc[nH+]c4ccccc43)CC2)o1 ZINC000878599079 624318340 /nfs/dbraw/zinc/31/83/40/624318340.db2.gz HDKDEDNSJJXDOU-UHFFFAOYSA-N 2 2 318.380 3.022 20 30 DGEDLP C=CCC[C@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)[C@H]1Cc2ccccc2O1 ZINC000883218009 626612620 /nfs/dbraw/zinc/61/26/20/626612620.db2.gz SFCKDCFABFRHBO-ZIFCJYIRSA-N 2 2 323.440 3.126 20 30 DGEDLP N#C[C@@H]1CCC[C@@H]([NH2+]c2ccc(N3CC[N@@H+]4CCC[C@H]4C3)cc2)C1 ZINC000883347657 626655909 /nfs/dbraw/zinc/65/59/09/626655909.db2.gz WPRUTORXBYJTCQ-POAQFYNOSA-N 2 2 324.472 3.465 20 30 DGEDLP N#C[C@@H]1CCC[C@@H]([NH2+]c2ccc(N3CC[N@H+]4CCC[C@H]4C3)cc2)C1 ZINC000883347657 626655910 /nfs/dbraw/zinc/65/59/10/626655910.db2.gz WPRUTORXBYJTCQ-POAQFYNOSA-N 2 2 324.472 3.465 20 30 DGEDLP C[C@@H](CC(C)(C)C#N)[NH2+][C@H]1CCc2[nH+]c(C(C)(C)C)cn2C1 ZINC000924891374 627691023 /nfs/dbraw/zinc/69/10/23/627691023.db2.gz ZPWMRMBUGADBNG-KBPBESRZSA-N 2 2 302.466 3.413 20 30 DGEDLP N#Cc1ccc(C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)cc1Cl ZINC000926369615 627885875 /nfs/dbraw/zinc/88/58/75/627885875.db2.gz HFZGKIDNEUSGNP-IAGOWNOFSA-N 2 2 303.837 3.318 20 30 DGEDLP N#Cc1ccc(C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)cc1Cl ZINC000926369615 627885878 /nfs/dbraw/zinc/88/58/78/627885878.db2.gz HFZGKIDNEUSGNP-IAGOWNOFSA-N 2 2 303.837 3.318 20 30 DGEDLP CC[C@H]([NH2+]CC[C@H]1CCC[N@H+](C)C1)c1cccc(C#N)c1O ZINC000926573257 627916510 /nfs/dbraw/zinc/91/65/10/627916510.db2.gz KNWXIVMQOIUNOZ-PBHICJAKSA-N 2 2 301.434 3.036 20 30 DGEDLP CC[C@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1cccc(C#N)c1O ZINC000926573257 627916512 /nfs/dbraw/zinc/91/65/12/627916512.db2.gz KNWXIVMQOIUNOZ-PBHICJAKSA-N 2 2 301.434 3.036 20 30 DGEDLP CC[C@@H]([NH2+]C1CCC([NH+](C)C)CC1)c1cccc(C#N)c1O ZINC000926604604 627921226 /nfs/dbraw/zinc/92/12/26/627921226.db2.gz QPBUAGSZIBPUNL-VMBOVVBDSA-N 2 2 301.434 3.177 20 30 DGEDLP N#Cc1cccc(C[NH+]2CCC([NH2+]Cc3ccccc3O)CC2)c1 ZINC000846105874 631209829 /nfs/dbraw/zinc/20/98/29/631209829.db2.gz BOCLDEZNYTZDNC-UHFFFAOYSA-N 2 2 321.424 3.018 20 30 DGEDLP CC(C)c1cccc(NC(=[NH2+])NCCCNc2cccc[nH+]2)c1 ZINC000170905287 656020756 /nfs/dbraw/zinc/02/07/56/656020756.db2.gz QQWSQFWGLGGEAE-UHFFFAOYSA-N 2 2 311.433 3.434 20 30 DGEDLP C=C(C)C[NH2+][C@H]1CCC[C@@H](NC(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC000981235945 656655667 /nfs/dbraw/zinc/65/56/67/656655667.db2.gz TYOQGZRTRJFPBS-DLBZAZTESA-N 2 2 315.461 3.214 20 30 DGEDLP CCNC(NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1)=[NH+]CC ZINC000303362378 657530864 /nfs/dbraw/zinc/53/08/64/657530864.db2.gz DCCKDOGJJQKRAJ-MRXNPFEDSA-N 2 2 322.884 3.052 20 30 DGEDLP CCc1ccc(NC(=[NH2+])NC[C@H](c2ccccc2)[NH+](C)C)cc1 ZINC000303712112 657557038 /nfs/dbraw/zinc/55/70/38/657557038.db2.gz PTZZGCDBAJBOKJ-GOSISDBHSA-N 2 2 310.445 3.279 20 30 DGEDLP CC[NH+](CC)[C@H](CNC(=[NH2+])NCCC(C)C)c1ccsc1 ZINC000303895815 657575389 /nfs/dbraw/zinc/57/53/89/657575389.db2.gz PQGWUCKTKHJLAC-OAHLLOKOSA-N 2 2 310.511 3.081 20 30 DGEDLP C[NH+](C)[C@@H](CNC(=[NH2+])NC1CCCCCC1)c1ccc(F)cc1 ZINC000305747983 657734610 /nfs/dbraw/zinc/73/46/10/657734610.db2.gz UAYQZSVHGJTAJS-KRWDZBQOSA-N 2 2 320.456 3.056 20 30 DGEDLP N#CC1(CCCC[N@@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)CCC1 ZINC000930319186 661388707 /nfs/dbraw/zinc/38/87/07/661388707.db2.gz GXYABOIKKUBPLW-SFHVURJKSA-N 2 2 319.493 3.037 20 30 DGEDLP N#CC1(CCCC[N@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)CCC1 ZINC000930319186 661388711 /nfs/dbraw/zinc/38/87/11/661388711.db2.gz GXYABOIKKUBPLW-SFHVURJKSA-N 2 2 319.493 3.037 20 30 DGEDLP C[C@H]1CCCC[C@]1(C[NH3+])[NH2+]Cc1ccc(C#N)cc1OC(F)F ZINC001576690567 1191863904 /nfs/dbraw/zinc/86/39/04/1191863904.db2.gz KUJCVSPIROAQEE-YVEFUNNKSA-N 2 2 323.387 3.157 20 30 DGEDLP C[C@@H]1CCCC[C@@]1(C[NH3+])[NH2+]Cc1ccc(C#N)cc1OC(F)F ZINC001576690562 1191864079 /nfs/dbraw/zinc/86/40/79/1191864079.db2.gz KUJCVSPIROAQEE-PXAZEXFGSA-N 2 2 323.387 3.157 20 30 DGEDLP CCCCCCCC[C@@H]([NH3+])C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC001341584316 1179033628 /nfs/dbraw/zinc/03/36/28/1179033628.db2.gz DSRYVMCODNMSPZ-MRXNPFEDSA-N 2 2 320.481 3.194 20 30 DGEDLP CCCCCCCC[C@H]([NH3+])C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC001343409797 1179268981 /nfs/dbraw/zinc/26/89/81/1179268981.db2.gz SGOOBNBLRLEVQU-KRWDZBQOSA-N 2 2 320.481 3.125 20 30 DGEDLP C=CC[NH2+]CC[C@H]1CCCN(C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001495371270 1185040401 /nfs/dbraw/zinc/04/04/01/1185040401.db2.gz IZDFGXOBSQAJGZ-QGZVFWFLSA-N 2 2 315.461 3.025 20 30 DGEDLP C=CC[NH2+]CCC1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)CC1 ZINC001495421747 1185050438 /nfs/dbraw/zinc/05/04/38/1185050438.db2.gz HISJWAZGOIEXQB-UHFFFAOYSA-N 2 2 315.461 3.025 20 30 DGEDLP C=CCCC[NH2+][C@H](C)[C@@H](C)NC(=O)c1c(C)cc(C)[nH+]c1C ZINC001505659084 1186120378 /nfs/dbraw/zinc/12/03/78/1186120378.db2.gz BWTHVCHDGJAXSW-HUUCEWRRSA-N 2 2 303.450 3.069 20 30 DGEDLP N#Cc1ccc(C[NH2+][C@H](Cn2cc[nH+]c2)c2ccccc2)cc1F ZINC001560098408 1189278379 /nfs/dbraw/zinc/27/83/79/1189278379.db2.gz HMXWWCRUIBJELG-LJQANCHMSA-N 2 2 320.371 3.425 20 30 DGEDLP C=CCCC[NH2+]CC1CC(NC(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001674563255 1197796358 /nfs/dbraw/zinc/79/63/58/1197796358.db2.gz XYEUFLLEHOZDQL-UHFFFAOYSA-N 2 2 315.461 3.071 20 30 DGEDLP C=CCCC[NH2+]CCN(CC)C(=O)c1c(C)cc(C)[nH+]c1C ZINC001754057617 1200088911 /nfs/dbraw/zinc/08/89/11/1200088911.db2.gz AMWFESBQZMHFOD-UHFFFAOYSA-N 2 2 303.450 3.025 20 30 DGEDLP C=CCCC[NH2+]C[C@H]1C[C@H](NC(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001700637060 1202326708 /nfs/dbraw/zinc/32/67/08/1202326708.db2.gz XYEUFLLEHOZDQL-QAQDUYKDSA-N 2 2 315.461 3.071 20 30 DGEDLP C=CC[NH2+][C@@H](C)C1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)CC1 ZINC001714810046 1203133526 /nfs/dbraw/zinc/13/35/26/1203133526.db2.gz BELHHOXAJLVQOB-HNNXBMFYSA-N 2 2 315.461 3.023 20 30 DGEDLP C=C(C)CC[N@H+](CCC)CCNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001731866327 1204610004 /nfs/dbraw/zinc/61/00/04/1204610004.db2.gz LZPLPZWFGUKWEX-UHFFFAOYSA-N 2 2 317.477 3.415 20 30 DGEDLP C=C(C)CC[N@@H+](CCC)CCNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001731866327 1204610007 /nfs/dbraw/zinc/61/00/07/1204610007.db2.gz LZPLPZWFGUKWEX-UHFFFAOYSA-N 2 2 317.477 3.415 20 30 DGEDLP Cc1[nH+]cc2n1CC[N@H+](C1CCC(C#N)(c3ccccc3)CC1)C2 ZINC001170384467 1082357762 /nfs/dbraw/zinc/35/77/62/1082357762.db2.gz YIDHRNXWAFEVRW-UHFFFAOYSA-N 2 2 320.440 3.411 20 30 DGEDLP Cc1[nH+]cc2n1CC[N@@H+](C1CCC(C#N)(c3ccccc3)CC1)C2 ZINC001170384467 1082357768 /nfs/dbraw/zinc/35/77/68/1082357768.db2.gz YIDHRNXWAFEVRW-UHFFFAOYSA-N 2 2 320.440 3.411 20 30 DGEDLP C=CCC[C@H](C)[NH2+][C@@H](C)CNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001266956319 1082373740 /nfs/dbraw/zinc/37/37/40/1082373740.db2.gz OYGVOMBFUDCLPK-ZFWWWQNUSA-N 2 2 303.450 3.069 20 30 DGEDLP CCCCCCC[NH2+][C@@H](C)C[C@H](C)NC(=O)CCc1c[nH]c[nH+]1 ZINC001134548078 1083302732 /nfs/dbraw/zinc/30/27/32/1083302732.db2.gz CWGHKVBKZKONQM-HOTGVXAUSA-N 2 2 322.497 3.186 20 30 DGEDLP CCCCCCC[NH2+][C@@H](C)C[C@H](C)NC(=O)CCc1c[nH+]c[nH]1 ZINC001134548078 1083302735 /nfs/dbraw/zinc/30/27/35/1083302735.db2.gz CWGHKVBKZKONQM-HOTGVXAUSA-N 2 2 322.497 3.186 20 30 DGEDLP C=CCCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001134739929 1083326713 /nfs/dbraw/zinc/32/67/13/1083326713.db2.gz LYWZKDWLQOXSED-UONOGXRCSA-N 2 2 314.433 3.016 20 30 DGEDLP CCOc1cc(Nc2cc(C#N)cc(C3C[NH2+]C3)c2)cc(C)[nH+]1 ZINC001159253648 1088255445 /nfs/dbraw/zinc/25/54/45/1088255445.db2.gz CKUTZZAMUQERNU-UHFFFAOYSA-N 2 2 308.385 3.091 20 30 DGEDLP C=CCOC(=O)[C@@H]([NH3+])CCCCNc1ccc(C(C)(C)C)c[nH+]1 ZINC001159924212 1088555863 /nfs/dbraw/zinc/55/58/63/1088555863.db2.gz HHXRUJPISVXOPO-HNNXBMFYSA-N 2 2 319.449 3.018 20 30 DGEDLP Nc1[nH]c2cc(NC(=[NH2+])c3ccc(C(F)(F)F)cc3)ccc2[nH+]1 ZINC001163684458 1090232696 /nfs/dbraw/zinc/23/26/96/1090232696.db2.gz YCTPCIAOVFPFGX-UHFFFAOYSA-N 2 2 319.290 3.201 20 30 DGEDLP C=CC[NH+]1CCC([NH2+]Cc2ccc(Oc3cnccn3)cc2)CC1 ZINC001649107075 1090598591 /nfs/dbraw/zinc/59/85/91/1090598591.db2.gz PPICRUOWVUKPOR-UHFFFAOYSA-N 2 2 324.428 3.009 20 30 DGEDLP N#Cc1ccc(C[NH+]2C[C@H]3C[NH+](Cc4cccs4)C[C@@H]3C2)cc1 ZINC001203903284 1090834227 /nfs/dbraw/zinc/83/42/27/1090834227.db2.gz TVUMUMRXPKHWPC-ROUUACIJSA-N 2 2 323.465 3.184 20 30 DGEDLP N#CCC[N@H+](Cc1ccccc1)Cc1ccc2c(c1)CC[NH2+]C2 ZINC001204597910 1091004649 /nfs/dbraw/zinc/00/46/49/1091004649.db2.gz BXUDSFNVPPIINN-UHFFFAOYSA-N 2 2 305.425 3.248 20 30 DGEDLP N#CCC[N@@H+](Cc1ccccc1)Cc1ccc2c(c1)CC[NH2+]C2 ZINC001204597910 1091004654 /nfs/dbraw/zinc/00/46/54/1091004654.db2.gz BXUDSFNVPPIINN-UHFFFAOYSA-N 2 2 305.425 3.248 20 30 DGEDLP C=C(C)COc1ccccc1C[N@@H+]1CCCC[C@](F)(C[NH3+])C1 ZINC001206343789 1091587181 /nfs/dbraw/zinc/58/71/81/1091587181.db2.gz IJBJNZAUESDNKO-SFHVURJKSA-N 2 2 306.425 3.294 20 30 DGEDLP C=C(C)COc1ccccc1C[N@H+]1CCCC[C@](F)(C[NH3+])C1 ZINC001206343789 1091587192 /nfs/dbraw/zinc/58/71/92/1091587192.db2.gz IJBJNZAUESDNKO-SFHVURJKSA-N 2 2 306.425 3.294 20 30 DGEDLP C=CCn1cc(C[N@@H+](C)C2CC[NH+](Cc3ccccc3)CC2)cn1 ZINC001139767898 1091667536 /nfs/dbraw/zinc/66/75/36/1091667536.db2.gz DAPDMHDVLFPRDV-UHFFFAOYSA-N 2 2 324.472 3.166 20 30 DGEDLP C=CCn1cc(C[N@H+](C)C2CC[NH+](Cc3ccccc3)CC2)cn1 ZINC001139767898 1091667545 /nfs/dbraw/zinc/66/75/45/1091667545.db2.gz DAPDMHDVLFPRDV-UHFFFAOYSA-N 2 2 324.472 3.166 20 30 DGEDLP Cc1[nH+]ccn1-c1ccccc1C[N@H+]1[C@@H]2CC[C@H]1C[C@H](C#N)C2 ZINC001140027019 1091743964 /nfs/dbraw/zinc/74/39/64/1091743964.db2.gz UTYYKXHVGNZHMS-XGWQRUHWSA-N 2 2 306.413 3.447 20 30 DGEDLP Cc1[nH+]ccn1-c1ccccc1C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](C#N)C2 ZINC001140027019 1091743973 /nfs/dbraw/zinc/74/39/73/1091743973.db2.gz UTYYKXHVGNZHMS-XGWQRUHWSA-N 2 2 306.413 3.447 20 30 DGEDLP Cc1c[nH+]ccc1O[C@H]1CC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC001140139660 1091781359 /nfs/dbraw/zinc/78/13/59/1091781359.db2.gz HLRAYNBLZLBZEQ-INIZCTEOSA-N 2 2 311.360 3.054 20 30 DGEDLP Cc1c[nH+]ccc1O[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC001140139660 1091781364 /nfs/dbraw/zinc/78/13/64/1091781364.db2.gz HLRAYNBLZLBZEQ-INIZCTEOSA-N 2 2 311.360 3.054 20 30 DGEDLP C=CCCCC[N@@H+]1CC[C@H]2[C@@H](CC[NH+]2Cc2nccs2)C1 ZINC001209204150 1092695755 /nfs/dbraw/zinc/69/57/55/1092695755.db2.gz ZXWHBQHLAGVKLA-HOTGVXAUSA-N 2 2 305.491 3.396 20 30 DGEDLP C=CCCCC[N@H+]1CC[C@H]2[C@@H](CC[NH+]2Cc2nccs2)C1 ZINC001209204150 1092695758 /nfs/dbraw/zinc/69/57/58/1092695758.db2.gz ZXWHBQHLAGVKLA-HOTGVXAUSA-N 2 2 305.491 3.396 20 30 DGEDLP C=CCCCC[NH+]1CC[C@H]2[C@@H](CC[N@@H+]2Cc2nccs2)C1 ZINC001209204150 1092695760 /nfs/dbraw/zinc/69/57/60/1092695760.db2.gz ZXWHBQHLAGVKLA-HOTGVXAUSA-N 2 2 305.491 3.396 20 30 DGEDLP C=CCCCC[NH+]1CC[C@H]2[C@@H](CC[N@H+]2Cc2nccs2)C1 ZINC001209204150 1092695763 /nfs/dbraw/zinc/69/57/63/1092695763.db2.gz ZXWHBQHLAGVKLA-HOTGVXAUSA-N 2 2 305.491 3.396 20 30 DGEDLP C=CCCC[NH2+][C@H](C)C[C@H](C)NC(=O)c1c(C)cc(C)[nH+]c1C ZINC001135044243 1094377572 /nfs/dbraw/zinc/37/75/72/1094377572.db2.gz RAGWPMRMYAVPDE-ZBFHGGJFSA-N 2 2 317.477 3.460 20 30 DGEDLP C=C(C)C[NH2+]CCCC[C@H](C)NC(=O)c1c(C)cc(C)[nH+]c1C ZINC001171859263 1096993067 /nfs/dbraw/zinc/99/30/67/1096993067.db2.gz AJZHRAIMXZMXDZ-HNNXBMFYSA-N 2 2 317.477 3.461 20 30 DGEDLP C=CCC[NH2+]CCCC[C@@H](C)NC(=O)c1c(C)cc(C)[nH+]c1C ZINC001171860850 1096993164 /nfs/dbraw/zinc/99/31/64/1096993164.db2.gz VJHASYNRNDSLPO-OAHLLOKOSA-N 2 2 317.477 3.461 20 30 DGEDLP N#CCC1C[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001172080856 1097040297 /nfs/dbraw/zinc/04/02/97/1097040297.db2.gz YIWCAPZWJPSXRP-ACDBMABISA-N 2 2 309.457 3.418 20 30 DGEDLP N#CCC1C[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001172080856 1097040303 /nfs/dbraw/zinc/04/03/03/1097040303.db2.gz YIWCAPZWJPSXRP-ACDBMABISA-N 2 2 309.457 3.418 20 30 DGEDLP Cc1c[nH+]c2n1CCC21CC[NH+](Cc2ccc(C#N)s2)CC1 ZINC001232842531 1098150690 /nfs/dbraw/zinc/15/06/90/1098150690.db2.gz IJKQOTNAHZMRBJ-UHFFFAOYSA-N 2 2 312.442 3.062 20 30 DGEDLP COc1cc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)ccc1-n1cc[nH+]c1 ZINC001234075108 1098490358 /nfs/dbraw/zinc/49/03/58/1098490358.db2.gz GSIRUYLEJGDVAH-OSYLJGHBSA-N 2 2 322.412 3.147 20 30 DGEDLP C=CCOc1ccccc1C[N@@H+]1CCC[C@@]2(CCC[NH2+]2)CC1 ZINC001235042442 1098770126 /nfs/dbraw/zinc/77/01/26/1098770126.db2.gz BXLZCCCBWVCWPG-IBGZPJMESA-N 2 2 300.446 3.360 20 30 DGEDLP C=CCOc1ccccc1C[N@H+]1CCC[C@@]2(CCC[NH2+]2)CC1 ZINC001235042442 1098770138 /nfs/dbraw/zinc/77/01/38/1098770138.db2.gz BXLZCCCBWVCWPG-IBGZPJMESA-N 2 2 300.446 3.360 20 30 DGEDLP N#CCCCC[N@@H+]1CCC[C@]2(CCC[NH+](Cc3ccc[nH]3)C2)C1 ZINC001277949272 1099066191 /nfs/dbraw/zinc/06/61/91/1099066191.db2.gz VFHZONWDEZQVPO-IBGZPJMESA-N 2 2 314.477 3.387 20 30 DGEDLP N#CCCCC[N@H+]1CCC[C@]2(CCC[NH+](Cc3ccc[nH]3)C2)C1 ZINC001277949272 1099066204 /nfs/dbraw/zinc/06/62/04/1099066204.db2.gz VFHZONWDEZQVPO-IBGZPJMESA-N 2 2 314.477 3.387 20 30 DGEDLP N#CCCCC[NH+]1CCC[C@]2(CCC[N@H+](Cc3ccc[nH]3)C2)C1 ZINC001277949272 1099066216 /nfs/dbraw/zinc/06/62/16/1099066216.db2.gz VFHZONWDEZQVPO-IBGZPJMESA-N 2 2 314.477 3.387 20 30 DGEDLP N#CCCCC[NH+]1CCC[C@]2(CCC[N@@H+](Cc3ccc[nH]3)C2)C1 ZINC001277949272 1099066229 /nfs/dbraw/zinc/06/62/29/1099066229.db2.gz VFHZONWDEZQVPO-IBGZPJMESA-N 2 2 314.477 3.387 20 30 DGEDLP N#Cc1ccc(Oc2ccc(C[N@H+]3CCC[C@@H]3C[NH3+])cc2)cc1 ZINC001236246489 1099500522 /nfs/dbraw/zinc/50/05/22/1099500522.db2.gz DCIOHANITGDLCW-QGZVFWFLSA-N 2 2 307.397 3.274 20 30 DGEDLP N#Cc1ccc(Oc2ccc(C[N@@H+]3CCC[C@@H]3C[NH3+])cc2)cc1 ZINC001236246489 1099500533 /nfs/dbraw/zinc/50/05/33/1099500533.db2.gz DCIOHANITGDLCW-QGZVFWFLSA-N 2 2 307.397 3.274 20 30 DGEDLP CC(C)C[N@H+](Cc1cc(Cl)cc(C#N)c1)[C@@H]1CCC[NH2+]C1 ZINC001236479523 1099636731 /nfs/dbraw/zinc/63/67/31/1099636731.db2.gz WWZPOCWXLWQZLW-QGZVFWFLSA-N 2 2 305.853 3.422 20 30 DGEDLP CC(C)C[N@@H+](Cc1cc(Cl)cc(C#N)c1)[C@@H]1CCC[NH2+]C1 ZINC001236479523 1099636735 /nfs/dbraw/zinc/63/67/35/1099636735.db2.gz WWZPOCWXLWQZLW-QGZVFWFLSA-N 2 2 305.853 3.422 20 30 DGEDLP CCCCCCC[NH+]1C[C@H]2C[NH+](Cc3ccccn3)C[C@@H]2C1 ZINC001201762796 1102721594 /nfs/dbraw/zinc/72/15/94/1102721594.db2.gz VOUXTIVUEKRJQQ-ROUUACIJSA-N 2 2 301.478 3.416 20 30 DGEDLP CCCCCCC[N@H+]1C[C@@H]2C[NH+](Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001201762883 1102722808 /nfs/dbraw/zinc/72/28/08/1102722808.db2.gz YJMYEXHJZWMORI-RTBURBONSA-N 2 2 318.509 3.144 20 30 DGEDLP CCCCCCC[N@@H+]1C[C@@H]2C[NH+](Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001201762883 1102722813 /nfs/dbraw/zinc/72/28/13/1102722813.db2.gz YJMYEXHJZWMORI-RTBURBONSA-N 2 2 318.509 3.144 20 30 DGEDLP CCCCCCC[NH+]1C[C@@H]2C[N@@H+](Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001201762883 1102722821 /nfs/dbraw/zinc/72/28/21/1102722821.db2.gz YJMYEXHJZWMORI-RTBURBONSA-N 2 2 318.509 3.144 20 30 DGEDLP CCCCCCC[NH+]1C[C@@H]2C[N@H+](Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001201762883 1102722833 /nfs/dbraw/zinc/72/28/33/1102722833.db2.gz YJMYEXHJZWMORI-RTBURBONSA-N 2 2 318.509 3.144 20 30 DGEDLP CCCCCCC[N@@H+]1C[C@H]2CC[NH+](Cc3cnn(C)c3)C[C@@H]2C1 ZINC001201777499 1102734983 /nfs/dbraw/zinc/73/49/83/1102734983.db2.gz YJMYEXHJZWMORI-MOPGFXCFSA-N 2 2 318.509 3.144 20 30 DGEDLP CCCCCCC[N@H+]1C[C@H]2CC[NH+](Cc3cnn(C)c3)C[C@@H]2C1 ZINC001201777499 1102734994 /nfs/dbraw/zinc/73/49/94/1102734994.db2.gz YJMYEXHJZWMORI-MOPGFXCFSA-N 2 2 318.509 3.144 20 30 DGEDLP CCCCCCC[NH+]1C[C@H]2CC[N@H+](Cc3cnn(C)c3)C[C@@H]2C1 ZINC001201777499 1102735005 /nfs/dbraw/zinc/73/50/05/1102735005.db2.gz YJMYEXHJZWMORI-MOPGFXCFSA-N 2 2 318.509 3.144 20 30 DGEDLP CCCCCCC[NH+]1C[C@H]2CC[N@@H+](Cc3cnn(C)c3)C[C@@H]2C1 ZINC001201777499 1102735015 /nfs/dbraw/zinc/73/50/15/1102735015.db2.gz YJMYEXHJZWMORI-MOPGFXCFSA-N 2 2 318.509 3.144 20 30 DGEDLP N#CC1(c2cccc(-c3ccc(C[N@H+]4CC[C@@H]([NH3+])C4)cc3)c2)CC1 ZINC001244075960 1103191785 /nfs/dbraw/zinc/19/17/85/1103191785.db2.gz HIFLEGWBUHEMAT-HXUWFJFHSA-N 2 2 317.436 3.442 20 30 DGEDLP N#CC1(c2cccc(-c3ccc(C[N@@H+]4CC[C@@H]([NH3+])C4)cc3)c2)CC1 ZINC001244075960 1103191795 /nfs/dbraw/zinc/19/17/95/1103191795.db2.gz HIFLEGWBUHEMAT-HXUWFJFHSA-N 2 2 317.436 3.442 20 30 DGEDLP N#CC1(c2cccc(-c3cccc(C[N@H+]4CC[C@H]([NH3+])C4)c3)c2)CC1 ZINC001244076650 1103192113 /nfs/dbraw/zinc/19/21/13/1103192113.db2.gz LIBSAZNWQRMTHD-FQEVSTJZSA-N 2 2 317.436 3.442 20 30 DGEDLP N#CC1(c2cccc(-c3cccc(C[N@@H+]4CC[C@H]([NH3+])C4)c3)c2)CC1 ZINC001244076650 1103192122 /nfs/dbraw/zinc/19/21/22/1103192122.db2.gz LIBSAZNWQRMTHD-FQEVSTJZSA-N 2 2 317.436 3.442 20 30 DGEDLP Cc1ccc(C[N@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)cc1C#N ZINC001328835508 1104086462 /nfs/dbraw/zinc/08/64/62/1104086462.db2.gz WEQCIMQTLMEPPG-INIZCTEOSA-N 2 2 308.429 3.055 20 30 DGEDLP Cc1ccc(C[N@@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)cc1C#N ZINC001328835508 1104086474 /nfs/dbraw/zinc/08/64/74/1104086474.db2.gz WEQCIMQTLMEPPG-INIZCTEOSA-N 2 2 308.429 3.055 20 30 DGEDLP C=CCCC[N@@H+]1CCC[C@]2(CC[NH+](Cc3cccc(=O)[nH]3)C2)C1 ZINC001274962664 1104556424 /nfs/dbraw/zinc/55/64/24/1104556424.db2.gz QUIZZKKWUOMDIV-IBGZPJMESA-N 2 2 315.461 3.041 20 30 DGEDLP C=CCCC[N@H+]1CCC[C@]2(CC[NH+](Cc3cccc(=O)[nH]3)C2)C1 ZINC001274962664 1104556434 /nfs/dbraw/zinc/55/64/34/1104556434.db2.gz QUIZZKKWUOMDIV-IBGZPJMESA-N 2 2 315.461 3.041 20 30 DGEDLP C=CCCC[NH+]1CCC[C@]2(CC[N@H+](Cc3cccc(=O)[nH]3)C2)C1 ZINC001274962664 1104556442 /nfs/dbraw/zinc/55/64/42/1104556442.db2.gz QUIZZKKWUOMDIV-IBGZPJMESA-N 2 2 315.461 3.041 20 30 DGEDLP C=CCCC[NH+]1CCC[C@]2(CC[N@@H+](Cc3cccc(=O)[nH]3)C2)C1 ZINC001274962664 1104556449 /nfs/dbraw/zinc/55/64/49/1104556449.db2.gz QUIZZKKWUOMDIV-IBGZPJMESA-N 2 2 315.461 3.041 20 30 DGEDLP C=CCCCCCC[C@@H](O)C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC001253240634 1105908226 /nfs/dbraw/zinc/90/82/26/1105908226.db2.gz NXDSKCYUNISEAF-IAGOWNOFSA-N 2 2 305.466 3.477 20 30 DGEDLP C=CCCCCCC[C@@H](O)C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC001253240634 1105908231 /nfs/dbraw/zinc/90/82/31/1105908231.db2.gz NXDSKCYUNISEAF-IAGOWNOFSA-N 2 2 305.466 3.477 20 30 DGEDLP C=CCC[C@H](C)[NH+]1CCC2(CCC[N@@H+]2Cc2ccn(C)n2)CC1 ZINC001258730981 1106937836 /nfs/dbraw/zinc/93/78/36/1106937836.db2.gz STVMMTQYBWISRT-KRWDZBQOSA-N 2 2 316.493 3.205 20 30 DGEDLP C=CCC[C@H](C)[NH+]1CCC2(CCC[N@H+]2Cc2ccn(C)n2)CC1 ZINC001258730981 1106937841 /nfs/dbraw/zinc/93/78/41/1106937841.db2.gz STVMMTQYBWISRT-KRWDZBQOSA-N 2 2 316.493 3.205 20 30 DGEDLP C[C@H]1[C@@H]([NH2+]Cc2ccc(C#N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000309718348 231101287 /nfs/dbraw/zinc/10/12/87/231101287.db2.gz LMFJYQPHNGLCCK-JXFKEZNVSA-N 2 2 305.425 3.311 20 30 DGEDLP C[C@H]1[C@@H]([NH2+]Cc2ccc(C#N)cc2)CC[N@H+]1Cc1ccccc1 ZINC000309718348 231101289 /nfs/dbraw/zinc/10/12/89/231101289.db2.gz LMFJYQPHNGLCCK-JXFKEZNVSA-N 2 2 305.425 3.311 20 30 DGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]Cc3cccs3)CC2)cc1 ZINC000181407641 199292277 /nfs/dbraw/zinc/29/22/77/199292277.db2.gz NJKNIRLDVHHCEH-UHFFFAOYSA-N 2 2 311.454 3.374 20 30 DGEDLP C[NH+](CCC[N@@H+](C)Cc1ccco1)Cc1ccc(CC#N)cc1 ZINC000353548733 529885552 /nfs/dbraw/zinc/88/55/52/529885552.db2.gz HGXYYTJUAKQKQK-UHFFFAOYSA-N 2 2 311.429 3.300 20 30 DGEDLP C[NH+](CCC[N@H+](C)Cc1ccco1)Cc1ccc(CC#N)cc1 ZINC000353548733 529885553 /nfs/dbraw/zinc/88/55/53/529885553.db2.gz HGXYYTJUAKQKQK-UHFFFAOYSA-N 2 2 311.429 3.300 20 30 DGEDLP C[NH+](CCC[N@H+](C)Cc1ccc(CC#N)cc1)Cc1ccco1 ZINC000353548733 529885554 /nfs/dbraw/zinc/88/55/54/529885554.db2.gz HGXYYTJUAKQKQK-UHFFFAOYSA-N 2 2 311.429 3.300 20 30 DGEDLP C[NH+](CCC[N@@H+](C)Cc1ccc(CC#N)cc1)Cc1ccco1 ZINC000353548733 529885555 /nfs/dbraw/zinc/88/55/55/529885555.db2.gz HGXYYTJUAKQKQK-UHFFFAOYSA-N 2 2 311.429 3.300 20 30 DGEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2cn(-c3ccccc3)nc2C)CC1 ZINC000106245846 432020669 /nfs/dbraw/zinc/02/06/69/432020669.db2.gz MTBHSXZTQRKRJM-UHFFFAOYSA-N 2 2 324.472 3.311 20 30 DGEDLP C[C@@H]1C[C@H]([NH2+]Cc2ccc(C#N)o2)CC[N@@H+]1Cc1ccccc1 ZINC000080338456 192150420 /nfs/dbraw/zinc/15/04/20/192150420.db2.gz OUAPDWXUOBGQLG-NVXWUHKLSA-N 2 2 309.413 3.294 20 30 DGEDLP C[C@@H]1C[C@H]([NH2+]Cc2ccc(C#N)o2)CC[N@H+]1Cc1ccccc1 ZINC000080338456 192150423 /nfs/dbraw/zinc/15/04/23/192150423.db2.gz OUAPDWXUOBGQLG-NVXWUHKLSA-N 2 2 309.413 3.294 20 30 DGEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)[C@@H](C)c2ccc(OC)cc2)CC1 ZINC000177910124 186202852 /nfs/dbraw/zinc/20/28/52/186202852.db2.gz BHIQTLVMIJHNNS-CVEARBPZSA-N 2 2 302.462 3.427 20 30 DGEDLP N#Cc1c(C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)cn2ccccc12 ZINC000173870959 198263049 /nfs/dbraw/zinc/26/30/49/198263049.db2.gz BEGRZEPBZFOJKG-QGZVFWFLSA-N 2 2 322.456 3.119 20 30 DGEDLP N#Cc1c(C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)cn2ccccc12 ZINC000173870959 198263051 /nfs/dbraw/zinc/26/30/51/198263051.db2.gz BEGRZEPBZFOJKG-QGZVFWFLSA-N 2 2 322.456 3.119 20 30 DGEDLP C=C(C)COCC[NH2+][C@H]1C[C@H](C)C[N@@H+](Cc2ccccc2)C1 ZINC000468509617 244048575 /nfs/dbraw/zinc/04/85/75/244048575.db2.gz HEJWTEKXLVRIEM-HKUYNNGSSA-N 2 2 302.462 3.079 20 30 DGEDLP C=C(C)COCC[NH2+][C@H]1C[C@H](C)C[N@H+](Cc2ccccc2)C1 ZINC000468509617 244048583 /nfs/dbraw/zinc/04/85/83/244048583.db2.gz HEJWTEKXLVRIEM-HKUYNNGSSA-N 2 2 302.462 3.079 20 30 DGEDLP CC[N@@H+](Cc1ccc(C#N)o1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000093818761 193312819 /nfs/dbraw/zinc/31/28/19/193312819.db2.gz VVMOWMMARVBNRG-GOSISDBHSA-N 2 2 323.440 3.495 20 30 DGEDLP CC[N@H+](Cc1ccc(C#N)o1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000093818761 193312821 /nfs/dbraw/zinc/31/28/21/193312821.db2.gz VVMOWMMARVBNRG-GOSISDBHSA-N 2 2 323.440 3.495 20 30 DGEDLP CC[NH+](Cc1ccc(C#N)o1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000093818761 193312823 /nfs/dbraw/zinc/31/28/23/193312823.db2.gz VVMOWMMARVBNRG-GOSISDBHSA-N 2 2 323.440 3.495 20 30 DGEDLP CC[NH+](Cc1ccc(C#N)o1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000093818761 193312825 /nfs/dbraw/zinc/31/28/25/193312825.db2.gz VVMOWMMARVBNRG-GOSISDBHSA-N 2 2 323.440 3.495 20 30 DGEDLP CC[NH+]1CCC([NH2+]CC#Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000271664951 209107320 /nfs/dbraw/zinc/10/73/20/209107320.db2.gz FESWBLOVZBQXRT-UHFFFAOYSA-N 2 2 310.363 3.131 20 30 DGEDLP N#Cc1csc(C[NH2+]Cc2ccccc2Cn2cc[nH+]c2)c1 ZINC000343160547 254108617 /nfs/dbraw/zinc/10/86/17/254108617.db2.gz XMLUIZKLTFKADI-UHFFFAOYSA-N 2 2 308.410 3.154 20 30 DGEDLP COc1ccc([C@H](C[NH2+][C@H]2CC[C@@H](C#N)C2)[NH+]2CCCC2)cc1 ZINC000442633407 533183079 /nfs/dbraw/zinc/18/30/79/533183079.db2.gz IWDPRJNQXJFKEJ-AYBZRNKSSA-N 2 2 313.445 3.114 20 30 DGEDLP C=CCCSCC[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000595060591 400095511 /nfs/dbraw/zinc/09/55/11/400095511.db2.gz WAQSFXIJAVHSAN-WMZOPIPTSA-N 2 2 319.518 3.191 20 30 DGEDLP C=CCCSCC[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000595060591 400095514 /nfs/dbraw/zinc/09/55/14/400095514.db2.gz WAQSFXIJAVHSAN-WMZOPIPTSA-N 2 2 319.518 3.191 20 30 DGEDLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1ccc(C#N)o1 ZINC000601137330 400245198 /nfs/dbraw/zinc/24/51/98/400245198.db2.gz BFSRCFYTRPJDJZ-NVXWUHKLSA-N 2 2 309.413 3.009 20 30 DGEDLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1ccc(C#N)o1 ZINC000601137330 400245200 /nfs/dbraw/zinc/24/52/00/400245200.db2.gz BFSRCFYTRPJDJZ-NVXWUHKLSA-N 2 2 309.413 3.009 20 30 DGEDLP N#Cc1ccc(C[N@@H+]2CCC[C@@H]3C[NH2+]CC[C@H]32)c(C(F)(F)F)c1 ZINC000601333881 400291807 /nfs/dbraw/zinc/29/18/07/400291807.db2.gz HMACXXCNBOGRPH-CZUORRHYSA-N 2 2 323.362 3.151 20 30 DGEDLP N#Cc1ccc(C[N@H+]2CCC[C@@H]3C[NH2+]CC[C@H]32)c(C(F)(F)F)c1 ZINC000601333881 400291812 /nfs/dbraw/zinc/29/18/12/400291812.db2.gz HMACXXCNBOGRPH-CZUORRHYSA-N 2 2 323.362 3.151 20 30 DGEDLP N#Cc1cccc(C[N@@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)n1 ZINC000602457353 400467852 /nfs/dbraw/zinc/46/78/52/400467852.db2.gz AHZWEMGVXSGMSB-KRWDZBQOSA-N 2 2 312.461 3.041 20 30 DGEDLP N#Cc1cccc(C[N@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)n1 ZINC000602457353 400467857 /nfs/dbraw/zinc/46/78/57/400467857.db2.gz AHZWEMGVXSGMSB-KRWDZBQOSA-N 2 2 312.461 3.041 20 30 DGEDLP N#C[C@H]1CCC[C@@H]([NH2+][C@H]2C[NH2+]CC[C@H]2c2ccc(F)c(F)c2)C1 ZINC000596648849 400472170 /nfs/dbraw/zinc/47/21/70/400472170.db2.gz GKQCLPGTIDUPDQ-OGIUKLMXSA-N 2 2 319.399 3.082 20 30 DGEDLP COCC[N@H+](CCC#N)Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000591015687 400476350 /nfs/dbraw/zinc/47/63/50/400476350.db2.gz AOBQWMFKMJOEKP-UHFFFAOYSA-N 2 2 315.461 3.035 20 30 DGEDLP COCC[N@@H+](CCC#N)Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000591015687 400476355 /nfs/dbraw/zinc/47/63/55/400476355.db2.gz AOBQWMFKMJOEKP-UHFFFAOYSA-N 2 2 315.461 3.035 20 30 DGEDLP Cc1ccccc1C[NH+]1CCC([NH2+]Cc2cccc(C#N)n2)CC1 ZINC000602516639 400485929 /nfs/dbraw/zinc/48/59/29/400485929.db2.gz PAQNOKFGZRCYQL-UHFFFAOYSA-N 2 2 320.440 3.016 20 30 DGEDLP C=CC[C@@H]1CCCC[C@H]1[NH2+]C1CC[NH+](CCCC(=O)OC)CC1 ZINC000597174010 400576550 /nfs/dbraw/zinc/57/65/50/400576550.db2.gz TYBPWUBKDMTVKX-SJLPKXTDSA-N 2 2 322.493 3.129 20 30 DGEDLP N#CC1(c2ccc(C[N@@H+]3CCC[C@H](c4[nH]cc[nH+]4)C3)cc2)CC1 ZINC000596988213 400535050 /nfs/dbraw/zinc/53/50/50/400535050.db2.gz FYCZHISZRDQITD-INIZCTEOSA-N 2 2 306.413 3.344 20 30 DGEDLP N#CC1(c2ccc(C[N@H+]3CCC[C@H](c4[nH]cc[nH+]4)C3)cc2)CC1 ZINC000596988213 400535052 /nfs/dbraw/zinc/53/50/52/400535052.db2.gz FYCZHISZRDQITD-INIZCTEOSA-N 2 2 306.413 3.344 20 30 DGEDLP C[C@@H](CC1(C#N)CCOCC1)[NH2+][C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000602707719 400546651 /nfs/dbraw/zinc/54/66/51/400546651.db2.gz ABXXWIMYIADILJ-DLBZAZTESA-N 2 2 319.493 3.082 20 30 DGEDLP C[C@@H](CC1(C#N)CCOCC1)[NH2+][C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000602707719 400546654 /nfs/dbraw/zinc/54/66/54/400546654.db2.gz ABXXWIMYIADILJ-DLBZAZTESA-N 2 2 319.493 3.082 20 30 DGEDLP Cc1ccc2[nH+]cc(C[NH2+][C@@H]3CCc4cc(C#N)ccc43)n2c1 ZINC000618743162 400680483 /nfs/dbraw/zinc/68/04/83/400680483.db2.gz YMKYVBZXOQKADW-GOSISDBHSA-N 2 2 302.381 3.292 20 30 DGEDLP CC(C)(CCC#N)C[NH2+]CCc1[nH+]ccn1Cc1ccccc1 ZINC000174261979 400855548 /nfs/dbraw/zinc/85/55/48/400855548.db2.gz OTDKDMXSWFEABO-UHFFFAOYSA-N 2 2 310.445 3.393 20 30 DGEDLP C[C@H]([NH2+]C(C)(C)C[NH2+]C[C@@H](O)CC(C)(C)C#N)c1ccccc1 ZINC000598719425 400865159 /nfs/dbraw/zinc/86/51/59/400865159.db2.gz IAXYMKRTCJBBQP-RDJZCZTQSA-N 2 2 317.477 3.006 20 30 DGEDLP Cc1[nH+]cc(C[NH2+]Cc2ccc(C#N)cc2F)n1-c1ccccc1 ZINC000084022454 401126112 /nfs/dbraw/zinc/12/61/12/401126112.db2.gz PCNZJAAHMVKPFQ-UHFFFAOYSA-N 2 2 320.371 3.481 20 30 DGEDLP C[C@H]([NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12)c1ccc(C#N)c(F)c1 ZINC000594520899 401099060 /nfs/dbraw/zinc/09/90/60/401099060.db2.gz RFXZUJBMXNETDQ-DOPJRALCSA-N 2 2 301.409 3.365 20 30 DGEDLP C[C@H]([NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12)c1ccc(C#N)c(F)c1 ZINC000594520899 401099062 /nfs/dbraw/zinc/09/90/62/401099062.db2.gz RFXZUJBMXNETDQ-DOPJRALCSA-N 2 2 301.409 3.365 20 30 DGEDLP Cc1cc(C)c(NC(=O)NCC[NH+]2CCC(C)CC2)c(C)[nH+]1 ZINC000331229202 229022865 /nfs/dbraw/zinc/02/28/65/229022865.db2.gz GBCUUIFJIPQMSV-UHFFFAOYSA-N 2 2 304.438 3.065 20 30 DGEDLP Cc1cc(C)c(NC(=O)NC[C@@H](C)[NH+]2CCC(C)CC2)c(C)[nH+]1 ZINC000331288468 229027995 /nfs/dbraw/zinc/02/79/95/229027995.db2.gz APLOOWAYIRDVHB-OAHLLOKOSA-N 2 2 318.465 3.453 20 30 DGEDLP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]Cc1nc(C#N)cs1 ZINC000352798702 266115358 /nfs/dbraw/zinc/11/53/58/266115358.db2.gz NXIAXSVBJVWVPP-ZFWWWQNUSA-N 2 2 306.479 3.005 20 30 DGEDLP N#Cc1csc(C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000355321463 268320772 /nfs/dbraw/zinc/32/07/72/268320772.db2.gz UARWTIGLPFIZAO-HDICACEKSA-N 2 2 323.465 3.184 20 30 DGEDLP N#Cc1csc(C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000355321463 268320773 /nfs/dbraw/zinc/32/07/73/268320773.db2.gz UARWTIGLPFIZAO-HDICACEKSA-N 2 2 323.465 3.184 20 30 DGEDLP N#Cc1csc(C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000355321463 268320775 /nfs/dbraw/zinc/32/07/75/268320775.db2.gz UARWTIGLPFIZAO-HDICACEKSA-N 2 2 323.465 3.184 20 30 DGEDLP N#Cc1csc(C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000355321463 268320776 /nfs/dbraw/zinc/32/07/76/268320776.db2.gz UARWTIGLPFIZAO-HDICACEKSA-N 2 2 323.465 3.184 20 30 DGEDLP C(#CC[N@@H+]1CCCc2occc2C1)C[NH+]1CCCc2occc2C1 ZINC000344237218 275388690 /nfs/dbraw/zinc/38/86/90/275388690.db2.gz AXNGXJSZTUOJJO-UHFFFAOYSA-N 2 2 324.424 3.073 20 30 DGEDLP C(#CC[N@H+]1CCCc2occc2C1)C[NH+]1CCCc2occc2C1 ZINC000344237218 275388691 /nfs/dbraw/zinc/38/86/91/275388691.db2.gz AXNGXJSZTUOJJO-UHFFFAOYSA-N 2 2 324.424 3.073 20 30 DGEDLP C=C(C)C[NH+]1CCC(Nc2nc(C3CC3)[nH+]c(C)c2OC)CC1 ZINC000521370463 429548353 /nfs/dbraw/zinc/54/83/53/429548353.db2.gz URPJGGNEYZIXFT-UHFFFAOYSA-N 2 2 316.449 3.123 20 30 DGEDLP CC[N@@H+]1CC[C@H]([NH+](C)CC#Cc2cccc(Cl)c2)C[C@@H]1C ZINC000437565358 276224437 /nfs/dbraw/zinc/22/44/37/276224437.db2.gz CLTDYOSLJMFANC-YJBOKZPZSA-N 2 2 304.865 3.496 20 30 DGEDLP CC[N@H+]1CC[C@H]([NH+](C)CC#Cc2cccc(Cl)c2)C[C@@H]1C ZINC000437565358 276224438 /nfs/dbraw/zinc/22/44/38/276224438.db2.gz CLTDYOSLJMFANC-YJBOKZPZSA-N 2 2 304.865 3.496 20 30 DGEDLP CC[NH+]1CC[C@H]([N@H+](C)CC#Cc2cccc(Cl)c2)C[C@@H]1C ZINC000437565358 276224439 /nfs/dbraw/zinc/22/44/39/276224439.db2.gz CLTDYOSLJMFANC-YJBOKZPZSA-N 2 2 304.865 3.496 20 30 DGEDLP CC[NH+]1CC[C@H]([N@@H+](C)CC#Cc2cccc(Cl)c2)C[C@@H]1C ZINC000437565358 276224440 /nfs/dbraw/zinc/22/44/40/276224440.db2.gz CLTDYOSLJMFANC-YJBOKZPZSA-N 2 2 304.865 3.496 20 30 DGEDLP C[N@@H+]1CCC[C@]2(CC[NH+](CC#Cc3cccc(Cl)c3)C2)C1 ZINC000293099503 277086408 /nfs/dbraw/zinc/08/64/08/277086408.db2.gz XQWTUEABOVNRQO-SFHVURJKSA-N 2 2 302.849 3.109 20 30 DGEDLP C[N@H+]1CCC[C@]2(CC[NH+](CC#Cc3cccc(Cl)c3)C2)C1 ZINC000293099503 277086409 /nfs/dbraw/zinc/08/64/09/277086409.db2.gz XQWTUEABOVNRQO-SFHVURJKSA-N 2 2 302.849 3.109 20 30 DGEDLP C[NH+]1CCC[C@]2(CC[N@H+](CC#Cc3cccc(Cl)c3)C2)C1 ZINC000293099503 277086410 /nfs/dbraw/zinc/08/64/10/277086410.db2.gz XQWTUEABOVNRQO-SFHVURJKSA-N 2 2 302.849 3.109 20 30 DGEDLP C[NH+]1CCC[C@]2(CC[N@@H+](CC#Cc3cccc(Cl)c3)C2)C1 ZINC000293099503 277086412 /nfs/dbraw/zinc/08/64/12/277086412.db2.gz XQWTUEABOVNRQO-SFHVURJKSA-N 2 2 302.849 3.109 20 30 DGEDLP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)c2ccc(F)c(F)c2O)CC1 ZINC000187705715 277775988 /nfs/dbraw/zinc/77/59/88/277775988.db2.gz IYZLNUKIGKJHIJ-LBPRGKRZSA-N 2 2 310.388 3.362 20 30 DGEDLP C=CCOc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)C)C2)cc1Cl ZINC000125457135 431925094 /nfs/dbraw/zinc/92/50/94/431925094.db2.gz ROUIVTPGDZVLEW-HNNXBMFYSA-N 2 2 308.853 3.288 20 30 DGEDLP C=CCOc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)C)C2)cc1Cl ZINC000125457135 431925097 /nfs/dbraw/zinc/92/50/97/431925097.db2.gz ROUIVTPGDZVLEW-HNNXBMFYSA-N 2 2 308.853 3.288 20 30 DGEDLP N#Cc1ccc(C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)cc1F ZINC000192034808 432327020 /nfs/dbraw/zinc/32/70/20/432327020.db2.gz ZKGLZBYIQDHHSH-QGZVFWFLSA-N 2 2 301.409 3.148 20 30 DGEDLP N#Cc1ccc(C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)cc1F ZINC000192034808 432327024 /nfs/dbraw/zinc/32/70/24/432327024.db2.gz ZKGLZBYIQDHHSH-QGZVFWFLSA-N 2 2 301.409 3.148 20 30 DGEDLP Cc1[nH+]ccn1-c1ccc(C[NH2+]Cc2ccc(C#N)o2)cc1F ZINC000174305058 432333953 /nfs/dbraw/zinc/33/39/53/432333953.db2.gz QXNRWHHAVCHSHL-UHFFFAOYSA-N 2 2 310.332 3.074 20 30 DGEDLP Cc1cc(C)cc(NC(=[NH2+])NC[C@H](c2cccs2)[NH+](C)C)c1 ZINC000262337865 432482773 /nfs/dbraw/zinc/48/27/73/432482773.db2.gz SHVZNJQNLSTFLN-OAHLLOKOSA-N 2 2 316.474 3.394 20 30 DGEDLP Cc1[nH+]c2ccccc2n1CCC[NH2+]Cc1ccc(C#N)s1 ZINC000176941832 432567912 /nfs/dbraw/zinc/56/79/12/432567912.db2.gz QJTQOSMYAAOJFB-UHFFFAOYSA-N 2 2 310.426 3.458 20 30 DGEDLP C=CCC[C@H](C)Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1 ZINC000273453932 432601109 /nfs/dbraw/zinc/60/11/09/432601109.db2.gz GQKOGYQPIWPKKH-HNNXBMFYSA-N 2 2 302.466 3.379 20 30 DGEDLP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000280753429 433161360 /nfs/dbraw/zinc/16/13/60/433161360.db2.gz YCHSFMKWSMYOEC-RNQOJCNYSA-N 2 2 314.473 3.220 20 30 DGEDLP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000280753429 433161371 /nfs/dbraw/zinc/16/13/71/433161371.db2.gz YCHSFMKWSMYOEC-RNQOJCNYSA-N 2 2 314.473 3.220 20 30 DGEDLP N#CC1(c2ccccc2)CCC([NH2+]CCCn2cc[nH+]c2)CC1 ZINC000299386315 433362934 /nfs/dbraw/zinc/36/29/34/433362934.db2.gz ZCORKFUIGKILRC-UHFFFAOYSA-N 2 2 308.429 3.267 20 30 DGEDLP C[C@@H](C#N)Oc1ccc(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000362353641 433658782 /nfs/dbraw/zinc/65/87/82/433658782.db2.gz QRGVKPKXUNOZAO-GOEBONIOSA-N 2 2 310.401 3.080 20 30 DGEDLP C[C@@H](C#N)Oc1ccc(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000362353641 433658789 /nfs/dbraw/zinc/65/87/89/433658789.db2.gz QRGVKPKXUNOZAO-GOEBONIOSA-N 2 2 310.401 3.080 20 30 DGEDLP C=C[C@@H]1OCCC[C@H]1[NH2+][C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000449545928 433750852 /nfs/dbraw/zinc/75/08/52/433750852.db2.gz AHHSOHINJPCRAE-KANFNMMFSA-N 2 2 300.446 3.145 20 30 DGEDLP C=C[C@@H]1OCCC[C@H]1[NH2+][C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000449545928 433750858 /nfs/dbraw/zinc/75/08/58/433750858.db2.gz AHHSOHINJPCRAE-KANFNMMFSA-N 2 2 300.446 3.145 20 30 DGEDLP C=CCOc1cccc(C[NH2+]C[C@@H]2CCCn3cc(C)[nH+]c32)c1 ZINC000377830557 434011009 /nfs/dbraw/zinc/01/10/09/434011009.db2.gz FNBHSIBXDHQKKW-KRWDZBQOSA-N 2 2 311.429 3.424 20 30 DGEDLP C[N@H+](CC[NH2+][C@H]1CCc2ccc(C#N)cc21)Cc1ccccc1 ZINC000353425388 434122326 /nfs/dbraw/zinc/12/23/26/434122326.db2.gz JJCLJAZMYWITLD-FQEVSTJZSA-N 2 2 305.425 3.267 20 30 DGEDLP C[N@@H+](CC[NH2+][C@H]1CCc2ccc(C#N)cc21)Cc1ccccc1 ZINC000353425388 434122333 /nfs/dbraw/zinc/12/23/33/434122333.db2.gz JJCLJAZMYWITLD-FQEVSTJZSA-N 2 2 305.425 3.267 20 30 DGEDLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@@H](C)c1ccc(C#N)c(F)c1)CCC2 ZINC000346126855 434132402 /nfs/dbraw/zinc/13/24/02/434132402.db2.gz BSTUJRVYIRXVBD-XJKSGUPXSA-N 2 2 312.392 3.431 20 30 DGEDLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@H](C)c1ccc(C#N)c(F)c1)CCC2 ZINC000346126851 434133899 /nfs/dbraw/zinc/13/38/99/434133899.db2.gz BSTUJRVYIRXVBD-CZUORRHYSA-N 2 2 312.392 3.431 20 30 DGEDLP C[C@@H]([NH2+]CCc1cn2ccccc2[nH+]1)c1ccc(C#N)c(F)c1 ZINC000346223064 434215276 /nfs/dbraw/zinc/21/52/76/434215276.db2.gz WAVJDMKKFUXBQS-CYBMUJFWSA-N 2 2 308.360 3.238 20 30 DGEDLP CC[C@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1ccc(C#N)cc1 ZINC000365198111 434291840 /nfs/dbraw/zinc/29/18/40/434291840.db2.gz QEKMWJDJNCZVBT-SFHVURJKSA-N 2 2 308.429 3.374 20 30 DGEDLP O=C(CCc1[nH]cc[nH+]1)NCC[NH+]1CCC2(CCCCC2)CC1 ZINC000329268006 434381944 /nfs/dbraw/zinc/38/19/44/434381944.db2.gz DMRLYTQINIGHQE-UHFFFAOYSA-N 2 2 318.465 3.345 20 30 DGEDLP N#Cc1cccc(C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c1F ZINC000340886123 434412524 /nfs/dbraw/zinc/41/25/24/434412524.db2.gz DQZOKYGNVSKEOQ-OAHLLOKOSA-N 2 2 301.409 3.005 20 30 DGEDLP N#Cc1cccc(C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c1F ZINC000340886123 434412532 /nfs/dbraw/zinc/41/25/32/434412532.db2.gz DQZOKYGNVSKEOQ-OAHLLOKOSA-N 2 2 301.409 3.005 20 30 DGEDLP CC(F)(F)CC[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000296161595 434527435 /nfs/dbraw/zinc/52/74/35/434527435.db2.gz WMUYKNRZQGHJJF-UHFFFAOYSA-N 2 2 307.388 3.158 20 30 DGEDLP N#CC1(C[N@@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)CCC1 ZINC000451050327 434546065 /nfs/dbraw/zinc/54/60/65/434546065.db2.gz QLMZLOJNUTYPQB-MOPGFXCFSA-N 2 2 309.457 3.134 20 30 DGEDLP N#CC1(C[N@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)CCC1 ZINC000451050327 434546069 /nfs/dbraw/zinc/54/60/69/434546069.db2.gz QLMZLOJNUTYPQB-MOPGFXCFSA-N 2 2 309.457 3.134 20 30 DGEDLP N#CC1(C[NH+]2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)CCC1 ZINC000451050327 434546077 /nfs/dbraw/zinc/54/60/77/434546077.db2.gz QLMZLOJNUTYPQB-MOPGFXCFSA-N 2 2 309.457 3.134 20 30 DGEDLP N#CC1(C[NH+]2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)CCC1 ZINC000451050327 434546084 /nfs/dbraw/zinc/54/60/84/434546084.db2.gz QLMZLOJNUTYPQB-MOPGFXCFSA-N 2 2 309.457 3.134 20 30 DGEDLP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000368533323 434577413 /nfs/dbraw/zinc/57/74/13/434577413.db2.gz BRBIBQYONUGJCV-AFYVEPGGSA-N 2 2 314.473 3.393 20 30 DGEDLP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000368533323 434577415 /nfs/dbraw/zinc/57/74/15/434577415.db2.gz BRBIBQYONUGJCV-AFYVEPGGSA-N 2 2 314.473 3.393 20 30 DGEDLP C[C@@H](C#N)Oc1ccc(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000369462069 434595519 /nfs/dbraw/zinc/59/55/19/434595519.db2.gz HZEPPHDOELXQBH-HNAYVOBHSA-N 2 2 323.396 3.026 20 30 DGEDLP C[C@@H](C#N)Oc1ccc(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000369462069 434595526 /nfs/dbraw/zinc/59/55/26/434595526.db2.gz HZEPPHDOELXQBH-HNAYVOBHSA-N 2 2 323.396 3.026 20 30 DGEDLP COc1ccc(C[NH+]2CCC(Nc3cccc[nH+]3)CC2)cc1C#N ZINC000536372836 435378577 /nfs/dbraw/zinc/37/85/77/435378577.db2.gz USISACRMNJOLJS-UHFFFAOYSA-N 2 2 322.412 3.038 20 30 DGEDLP N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]Cc1cccc2[nH+]ccn21 ZINC000515460757 435486445 /nfs/dbraw/zinc/48/64/45/435486445.db2.gz FOOXVBFTLBOZGS-SFHVURJKSA-N 2 2 302.381 3.373 20 30 DGEDLP C=CCOCCC[NH2+][C@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000657657755 436271333 /nfs/dbraw/zinc/27/13/33/436271333.db2.gz BEKAOKUVRNLKCO-GOSISDBHSA-N 2 2 302.462 3.222 20 30 DGEDLP C=CCOCCC[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000657657755 436271334 /nfs/dbraw/zinc/27/13/34/436271334.db2.gz BEKAOKUVRNLKCO-GOSISDBHSA-N 2 2 302.462 3.222 20 30 DGEDLP C=CC[C@@]1(C(=O)Nc2ccc3[nH]c(C4CCC4)[nH+]c3c2)CCC[NH2+]1 ZINC000662706410 436379503 /nfs/dbraw/zinc/37/95/03/436379503.db2.gz CLTNYKKJXAFUPR-IBGZPJMESA-N 2 2 324.428 3.467 20 30 DGEDLP C=CC[C@@]1(C(=O)Nc2ccc3c(c2)[nH+]c(C2CC2)n3C)CCC[NH2+]1 ZINC000662797139 436388522 /nfs/dbraw/zinc/38/85/22/436388522.db2.gz WFHDVKKNZVDYAE-IBGZPJMESA-N 2 2 324.428 3.088 20 30 DGEDLP C=CC[NH+]1CCC([NH2+]C2CC(c3cc(F)cc(F)c3)C2)CC1 ZINC000368014701 331915706 /nfs/dbraw/zinc/91/57/06/331915706.db2.gz GTBPHJAQSRLIKJ-UHFFFAOYSA-N 2 2 306.400 3.451 20 30 DGEDLP C=CCOc1cccc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000582904582 337213619 /nfs/dbraw/zinc/21/36/19/337213619.db2.gz AOHWFRYBVMZFNQ-RBUKOAKNSA-N 2 2 300.446 3.358 20 30 DGEDLP C=CCOc1cccc(C[N@H+]2CCCC[C@@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000582904582 337213620 /nfs/dbraw/zinc/21/36/20/337213620.db2.gz AOHWFRYBVMZFNQ-RBUKOAKNSA-N 2 2 300.446 3.358 20 30 DGEDLP C=CC[NH+]1CCC([NH2+][C@H]2C[C@@H](Oc3ccccc3)C2(C)C)CC1 ZINC000572189826 337595871 /nfs/dbraw/zinc/59/58/71/337595871.db2.gz JRODIWSHUGXKRY-RBUKOAKNSA-N 2 2 314.473 3.473 20 30 DGEDLP C=CCC[C@H](CO)[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000449700970 338647056 /nfs/dbraw/zinc/64/70/56/338647056.db2.gz VDXOHIHIMUYMJO-GOSISDBHSA-N 2 2 322.880 3.221 20 30 DGEDLP C[C@H]1CCC[N@H+](Cc2ccccc2C[NH2+]C[C@@H](C#N)CCC#N)C1 ZINC000548788282 341275583 /nfs/dbraw/zinc/27/55/83/341275583.db2.gz CMZYKSHJGOGCOI-ZWKOTPCHSA-N 2 2 324.472 3.452 20 30 DGEDLP C[C@H]1CCC[N@@H+](Cc2ccccc2C[NH2+]C[C@@H](C#N)CCC#N)C1 ZINC000548788282 341275584 /nfs/dbraw/zinc/27/55/84/341275584.db2.gz CMZYKSHJGOGCOI-ZWKOTPCHSA-N 2 2 324.472 3.452 20 30 DGEDLP COc1ccc([C@@H](CCC#N)[NH2+]CCCCn2cc[nH+]c2)cc1 ZINC000575081949 341775782 /nfs/dbraw/zinc/77/57/82/341775782.db2.gz YNLQAQYVTYOKPD-GOSISDBHSA-N 2 2 312.417 3.307 20 30 DGEDLP Cc1[nH+]c2ccc(C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)cc2n1C ZINC000331049652 534648116 /nfs/dbraw/zinc/64/81/16/534648116.db2.gz HOZDKDKXFJWBTD-LBPRGKRZSA-N 2 2 316.449 3.163 20 30 DGEDLP C=CC[NH+]1CCC([NH2+]Cc2nc3ccc(OC)cc3s2)CC1 ZINC000353760259 526451182 /nfs/dbraw/zinc/45/11/82/526451182.db2.gz QEWUGUZVWAEQCJ-UHFFFAOYSA-N 2 2 317.458 3.045 20 30 DGEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)CC1 ZINC000177908731 526452594 /nfs/dbraw/zinc/45/25/94/526452594.db2.gz IZPLGNWUCLWEKB-AWEZNQCLSA-N 2 2 303.406 3.204 20 30 DGEDLP C=CC[NH+]1CCC([NH2+][C@H](CC)c2ccc(N(C)C)cc2)CC1 ZINC000177908869 526454056 /nfs/dbraw/zinc/45/40/56/526454056.db2.gz UTOKZFBOCKRLGI-LJQANCHMSA-N 2 2 301.478 3.444 20 30 DGEDLP C#CCOc1ccc([C@H](C)[NH2+]CCc2cn3c([nH+]2)CCCC3)cc1 ZINC000152762295 527115460 /nfs/dbraw/zinc/11/54/60/527115460.db2.gz ACHIQPHWSINLFJ-INIZCTEOSA-N 2 2 323.440 3.125 20 30 DGEDLP CC(C)[C@H](C[NH2+][C@H]1CC[C@H](C#N)C1)[N@@H+]1CCc2ccccc2C1 ZINC000442795026 529017363 /nfs/dbraw/zinc/01/73/63/529017363.db2.gz UHGHKNTVBSGPIB-VDGAXYAQSA-N 2 2 311.473 3.351 20 30 DGEDLP CC(C)[C@H](C[NH2+][C@H]1CC[C@H](C#N)C1)[N@H+]1CCc2ccccc2C1 ZINC000442795026 529017370 /nfs/dbraw/zinc/01/73/70/529017370.db2.gz UHGHKNTVBSGPIB-VDGAXYAQSA-N 2 2 311.473 3.351 20 30 DGEDLP C=C(C)COCC[NH2+][C@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000677750216 548550996 /nfs/dbraw/zinc/55/09/96/548550996.db2.gz UXYLMNQOSLSHME-GOSISDBHSA-N 2 2 302.462 3.222 20 30 DGEDLP C=C(C)COCC[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000677750216 548551002 /nfs/dbraw/zinc/55/10/02/548551002.db2.gz UXYLMNQOSLSHME-GOSISDBHSA-N 2 2 302.462 3.222 20 30 DGEDLP C=CC[C@H](C)[C@H](C)[NH2+][C@]1(CO)CCC[N@H+](Cc2ccccc2)C1 ZINC000679044844 548822570 /nfs/dbraw/zinc/82/25/70/548822570.db2.gz REYNMIKYWGOUKX-CMKODMSKSA-N 2 2 316.489 3.204 20 30 DGEDLP C=CC[C@H](C)[C@H](C)[NH2+][C@]1(CO)CCC[N@@H+](Cc2ccccc2)C1 ZINC000679044844 548822572 /nfs/dbraw/zinc/82/25/72/548822572.db2.gz REYNMIKYWGOUKX-CMKODMSKSA-N 2 2 316.489 3.204 20 30 DGEDLP CCOc1ccc(/C=[NH+]/C2CCC(C[NH+](C)C)CC2)c(O)c1 ZINC000749582951 575666405 /nfs/dbraw/zinc/66/64/05/575666405.db2.gz UCYRLTJQWVHZRT-XDHOZWIPSA-N 2 2 304.434 3.330 20 30 DGEDLP N#Cc1cc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)cs1 ZINC000892235072 617991282 /nfs/dbraw/zinc/99/12/82/617991282.db2.gz KLZMITPAXLHBAW-RHSMWYFYSA-N 2 2 301.459 3.068 20 30 DGEDLP N#Cc1cc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)cs1 ZINC000892235072 617991285 /nfs/dbraw/zinc/99/12/85/617991285.db2.gz KLZMITPAXLHBAW-RHSMWYFYSA-N 2 2 301.459 3.068 20 30 DGEDLP N#Cc1cc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cs1 ZINC000892235072 617991288 /nfs/dbraw/zinc/99/12/88/617991288.db2.gz KLZMITPAXLHBAW-RHSMWYFYSA-N 2 2 301.459 3.068 20 30 DGEDLP N#Cc1cc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)cs1 ZINC000892235072 617991290 /nfs/dbraw/zinc/99/12/90/617991290.db2.gz KLZMITPAXLHBAW-RHSMWYFYSA-N 2 2 301.459 3.068 20 30 DGEDLP N#Cc1cc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)cs1 ZINC000892235078 617991710 /nfs/dbraw/zinc/99/17/10/617991710.db2.gz KLZMITPAXLHBAW-YOEHRIQHSA-N 2 2 301.459 3.068 20 30 DGEDLP N#Cc1cc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)cs1 ZINC000892235078 617991712 /nfs/dbraw/zinc/99/17/12/617991712.db2.gz KLZMITPAXLHBAW-YOEHRIQHSA-N 2 2 301.459 3.068 20 30 DGEDLP N#Cc1cc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cs1 ZINC000892235078 617991715 /nfs/dbraw/zinc/99/17/15/617991715.db2.gz KLZMITPAXLHBAW-YOEHRIQHSA-N 2 2 301.459 3.068 20 30 DGEDLP N#Cc1cc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cs1 ZINC000892235078 617991721 /nfs/dbraw/zinc/99/17/21/617991721.db2.gz KLZMITPAXLHBAW-YOEHRIQHSA-N 2 2 301.459 3.068 20 30 DGEDLP C#CCOc1ccc(C[NH+]2CCC(Nc3cccc[nH+]3)CC2)cc1 ZINC000896198703 618884226 /nfs/dbraw/zinc/88/42/26/618884226.db2.gz SHZCTTPUYAFDBJ-UHFFFAOYSA-N 2 2 321.424 3.170 20 30 DGEDLP N#CC1(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CCC1 ZINC000903031801 619704839 /nfs/dbraw/zinc/70/48/39/619704839.db2.gz FQUWZYYXVKWNQU-REPLKXPHSA-N 2 2 309.457 3.465 20 30 DGEDLP N#CC1(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCC1 ZINC000903031801 619704841 /nfs/dbraw/zinc/70/48/41/619704841.db2.gz FQUWZYYXVKWNQU-REPLKXPHSA-N 2 2 309.457 3.465 20 30 DGEDLP CC(C)(C)c1cn2c([nH+]1)CC[C@@H]([NH2+]Cc1csc(C#N)c1)C2 ZINC000921646573 620926933 /nfs/dbraw/zinc/92/69/33/620926933.db2.gz XNVKLLUMJIISGY-CYBMUJFWSA-N 2 2 314.458 3.218 20 30 DGEDLP C[C@H](C#N)Oc1ccc(C[NH2+]C[C@@H]2CC[N@@H+]2C2CCCC2)cc1 ZINC000858285389 621171863 /nfs/dbraw/zinc/17/18/63/621171863.db2.gz LAMKTKBVFJYHHF-QAPCUYQASA-N 2 2 313.445 3.084 20 30 DGEDLP C[C@H](C#N)Oc1ccc(C[NH2+]C[C@@H]2CC[N@H+]2C2CCCC2)cc1 ZINC000858285389 621171865 /nfs/dbraw/zinc/17/18/65/621171865.db2.gz LAMKTKBVFJYHHF-QAPCUYQASA-N 2 2 313.445 3.084 20 30 DGEDLP C#CCOc1ccccc1C[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000760841781 621968532 /nfs/dbraw/zinc/96/85/32/621968532.db2.gz ZFGQCRMCUWDSMA-GOSISDBHSA-N 2 2 300.446 3.005 20 30 DGEDLP C#CCOc1ccccc1C[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000760841781 621968535 /nfs/dbraw/zinc/96/85/35/621968535.db2.gz ZFGQCRMCUWDSMA-GOSISDBHSA-N 2 2 300.446 3.005 20 30 DGEDLP C#CCOc1ccccc1C[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000760841781 621968539 /nfs/dbraw/zinc/96/85/39/621968539.db2.gz ZFGQCRMCUWDSMA-GOSISDBHSA-N 2 2 300.446 3.005 20 30 DGEDLP C#CCOc1ccccc1C[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000760841781 621968540 /nfs/dbraw/zinc/96/85/40/621968540.db2.gz ZFGQCRMCUWDSMA-GOSISDBHSA-N 2 2 300.446 3.005 20 30 DGEDLP C[C@@H]([NH2+]Cc1cccc(C[NH+](C)C)c1)c1cccc(C#N)c1O ZINC000866222498 622069189 /nfs/dbraw/zinc/06/91/89/622069189.db2.gz HGGLBCGJIFFFST-CQSZACIVSA-N 2 2 309.413 3.176 20 30 DGEDLP C[C@H]([NH2+]Cc1cccc(C[NH+](C)C)c1)c1cccc(C#N)c1O ZINC000866222497 622069487 /nfs/dbraw/zinc/06/94/87/622069487.db2.gz HGGLBCGJIFFFST-AWEZNQCLSA-N 2 2 309.413 3.176 20 30 DGEDLP C[C@@H](C#N)Oc1ccc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)cc1 ZINC000769188027 622506484 /nfs/dbraw/zinc/50/64/84/622506484.db2.gz DVUBXHSAEDVNTP-AWEZNQCLSA-N 2 2 310.401 3.080 20 30 DGEDLP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CCc3ccc(Cl)nc32)CC1 ZINC000771179595 622723560 /nfs/dbraw/zinc/72/35/60/622723560.db2.gz SZMNYBKVMYCRMK-OAHLLOKOSA-N 2 2 305.853 3.352 20 30 DGEDLP C[C@H]([NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1ccc[nH]1 ZINC000776172711 623389282 /nfs/dbraw/zinc/38/92/82/623389282.db2.gz XYDJITOEUNXJLH-HNNXBMFYSA-N 2 2 308.429 3.202 20 30 DGEDLP C[NH+](C)Cc1ccc(C(N)=[NH+]OC[C@@H]2C[C@H]2c2ccccc2)cc1 ZINC000812304637 627369368 /nfs/dbraw/zinc/36/93/68/627369368.db2.gz QZGKRIJOYMOOBE-OALUTQOASA-N 2 2 323.440 3.189 20 30 DGEDLP CC[C@H]([NH2+]CCCCn1cc[nH+]c1C)c1cccc(C#N)c1O ZINC000925132156 627711799 /nfs/dbraw/zinc/71/17/99/627711799.db2.gz GGUDNLLYPJGOFZ-KRWDZBQOSA-N 2 2 312.417 3.290 20 30 DGEDLP N#Cc1ccc(C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1Cl ZINC000926369617 627885857 /nfs/dbraw/zinc/88/58/57/627885857.db2.gz HFZGKIDNEUSGNP-IRXDYDNUSA-N 2 2 303.837 3.318 20 30 DGEDLP N#Cc1ccc(C[NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)cc1Cl ZINC000926369617 627885862 /nfs/dbraw/zinc/88/58/62/627885862.db2.gz HFZGKIDNEUSGNP-IRXDYDNUSA-N 2 2 303.837 3.318 20 30 DGEDLP CC[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1cccc(C#N)c1O ZINC000926753175 627947021 /nfs/dbraw/zinc/94/70/21/627947021.db2.gz FRTSDRIGDMTTGF-WMLDXEAASA-N 2 2 301.434 3.036 20 30 DGEDLP CCc1ccc(NC(=[NH2+])NC[C@@H](c2ccccc2)[NH+](C)C)cc1 ZINC000303712113 657557093 /nfs/dbraw/zinc/55/70/93/657557093.db2.gz PTZZGCDBAJBOKJ-SFHVURJKSA-N 2 2 310.445 3.279 20 30 DGEDLP C[NH+](C)[C@H](CNC(=[NH2+])Nc1ccc2c(c1)CCC2)c1ccccc1 ZINC000303720891 657557653 /nfs/dbraw/zinc/55/76/53/657557653.db2.gz WXXFEDUQAQDAEL-LJQANCHMSA-N 2 2 322.456 3.205 20 30 DGEDLP CC[NH+](CC)[C@@H](CNC(=[NH2+])N1CCC[C@H](C)C1)c1ccsc1 ZINC000303904044 657577329 /nfs/dbraw/zinc/57/73/29/657577329.db2.gz UQNJGZWFYNTVDV-HOCLYGCPSA-N 2 2 322.522 3.178 20 30 DGEDLP C[NH+](C)[C@@H](CNC(=[NH2+])NC1CCCCCC1)c1cccc(F)c1 ZINC000305747452 657735637 /nfs/dbraw/zinc/73/56/37/657735637.db2.gz SJFUEULVFUJGRQ-KRWDZBQOSA-N 2 2 320.456 3.056 20 30 DGEDLP C[NH+](C)[C@H](CNC(=[NH2+])NC1CCCCCC1)c1cccc(F)c1 ZINC000305747453 657999527 /nfs/dbraw/zinc/99/95/27/657999527.db2.gz SJFUEULVFUJGRQ-QGZVFWFLSA-N 2 2 320.456 3.056 20 30 DGEDLP C=CC[NH2+][C@@H]1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)C[C@@H]1CC ZINC001037892421 658500777 /nfs/dbraw/zinc/50/07/77/658500777.db2.gz NHIRARWIHFGPBJ-DLBZAZTESA-N 2 2 315.461 3.023 20 30 DGEDLP C=CCC[NH2+][C@H](CCNC(=O)c1c(C)cc(C)[nH+]c1C)C(C)C ZINC001331212390 1178156147 /nfs/dbraw/zinc/15/61/47/1178156147.db2.gz TWAHTEUHTAZRCA-QGZVFWFLSA-N 2 2 317.477 3.317 20 30 DGEDLP C=CCC[NH2+]C[C@@H]1CC[C@@H](NC(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001332289817 1178411756 /nfs/dbraw/zinc/41/17/56/1178411756.db2.gz BHXNPRVPLULEKR-IAGOWNOFSA-N 2 2 315.461 3.071 20 30 DGEDLP C#CC[N@H+](C)CCC[NH2+]Cc1ccc(-c2cccc(F)c2F)o1 ZINC001474163936 1183876421 /nfs/dbraw/zinc/87/64/21/1183876421.db2.gz GMINLBJLBVSVGC-UHFFFAOYSA-N 2 2 318.367 3.270 20 30 DGEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1ccc(-c2cccc(F)c2F)o1 ZINC001474163936 1183876423 /nfs/dbraw/zinc/87/64/23/1183876423.db2.gz GMINLBJLBVSVGC-UHFFFAOYSA-N 2 2 318.367 3.270 20 30 DGEDLP C=CCC[NH2+]C[C@@H]1CCCN(C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001480292297 1184482141 /nfs/dbraw/zinc/48/21/41/1184482141.db2.gz ZMIBCLFDZZHAIG-KRWDZBQOSA-N 2 2 315.461 3.025 20 30 DGEDLP C=CCC[C@H](C)[NH2+]CC[C@H](C)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001568647312 1190573702 /nfs/dbraw/zinc/57/37/02/1190573702.db2.gz XXFLWUHUTCKBSA-KBPBESRZSA-N 2 2 314.433 3.016 20 30 DGEDLP C=CCC[C@H](O)C[N@H+]1CCC[C@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001620680662 1193790573 /nfs/dbraw/zinc/79/05/73/1193790573.db2.gz MDTATCIWTJXAMS-HOTGVXAUSA-N 2 2 305.466 3.145 20 30 DGEDLP C=CCC[C@H](O)C[N@@H+]1CCC[C@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001620680662 1193790576 /nfs/dbraw/zinc/79/05/76/1193790576.db2.gz MDTATCIWTJXAMS-HOTGVXAUSA-N 2 2 305.466 3.145 20 30 DGEDLP C=C(C)C[NH2+]CC[C@H]1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001672830090 1197624839 /nfs/dbraw/zinc/62/48/39/1197624839.db2.gz CXHLOVDAGUTDQD-KRWDZBQOSA-N 2 2 315.461 3.025 20 30 DGEDLP C=CCC[C@@H](C)[N@H+](C)[C@H](C)CNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001674964980 1197937379 /nfs/dbraw/zinc/93/73/79/1197937379.db2.gz HHIUEMXAYLSCOK-HZPDHXFCSA-N 2 2 317.477 3.412 20 30 DGEDLP C=CCC[C@@H](C)[N@@H+](C)[C@H](C)CNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001674964980 1197937386 /nfs/dbraw/zinc/93/73/86/1197937386.db2.gz HHIUEMXAYLSCOK-HZPDHXFCSA-N 2 2 317.477 3.412 20 30 DGEDLP Cc1ccc(NC(=[NH2+])NC[C@H](c2ccc(F)cc2)[NH+](C)C)cc1 ZINC000303881045 1199601303 /nfs/dbraw/zinc/60/13/03/1199601303.db2.gz HHNYLAKENZNOOK-QGZVFWFLSA-N 2 2 314.408 3.164 20 30 DGEDLP C=CCCC[N@@H+](C)[C@@H](C)CNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001755308105 1200788209 /nfs/dbraw/zinc/78/82/09/1200788209.db2.gz CNSPNUIJQDTGCO-HNNXBMFYSA-N 2 2 303.450 3.023 20 30 DGEDLP C=CCCC[N@H+](C)[C@@H](C)CNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001755308105 1200788215 /nfs/dbraw/zinc/78/82/15/1200788215.db2.gz CNSPNUIJQDTGCO-HNNXBMFYSA-N 2 2 303.450 3.023 20 30 DGEDLP C=CCCC[NH2+]C1CC(N(C)C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001755860561 1201109355 /nfs/dbraw/zinc/10/93/55/1201109355.db2.gz KLRNOWZPMQTAQC-UHFFFAOYSA-N 2 2 315.461 3.166 20 30 DGEDLP C=CCC[NH2+]C[C@@H]1CCCCN1C(=O)c1c(C)cc(C)[nH+]c1C ZINC001752828737 1201954542 /nfs/dbraw/zinc/95/45/42/1201954542.db2.gz VKXILKPAYMLMTA-KRWDZBQOSA-N 2 2 315.461 3.167 20 30 DGEDLP C=C(C)CC[NH2+]C[C@H](NC(=O)c1c(C)cc(C)[nH+]c1C)C1CC1 ZINC001723316093 1203963067 /nfs/dbraw/zinc/96/30/67/1203963067.db2.gz QLAOTJHMWTUGRN-KRWDZBQOSA-N 2 2 315.461 3.071 20 30 DGEDLP C=C(C)CC[NH2+][C@H](C)C[C@@H](C)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001134736326 1083325902 /nfs/dbraw/zinc/32/59/02/1083325902.db2.gz CKCZRYUZIKKALL-ZIAGYGMSSA-N 2 2 314.433 3.016 20 30 DGEDLP C=CCOCCC[NH2+][C@@H]1C[C@@H](C)C[N@@H+](Cc2ccccc2)C1 ZINC001182919281 1083829132 /nfs/dbraw/zinc/82/91/32/1083829132.db2.gz YTHCMIKGMINMRN-IEBWSBKVSA-N 2 2 302.462 3.079 20 30 DGEDLP C=CCOCCC[NH2+][C@@H]1C[C@@H](C)C[N@H+](Cc2ccccc2)C1 ZINC001182919281 1083829136 /nfs/dbraw/zinc/82/91/36/1083829136.db2.gz YTHCMIKGMINMRN-IEBWSBKVSA-N 2 2 302.462 3.079 20 30 DGEDLP C=CCC[C@H](C)[NH2+][C@@H]1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001184454350 1084188702 /nfs/dbraw/zinc/18/87/02/1084188702.db2.gz VTAKRADMNYZAAM-WMLDXEAASA-N 2 2 315.461 3.166 20 30 DGEDLP N#Cc1ccc2cc[nH+]c(N3CCCC[C@H]3C3CC[NH2+]CC3)c2c1 ZINC001165318335 1090501836 /nfs/dbraw/zinc/50/18/36/1090501836.db2.gz BCYUJRUVEBLHSN-IBGZPJMESA-N 2 2 320.440 3.465 20 30 DGEDLP CO/[NH+]=C/c1cc(N[C@H]2CCCC[C@@H]2[NH+](C)C)cc(F)c1F ZINC001168602265 1090599344 /nfs/dbraw/zinc/59/93/44/1090599344.db2.gz IATLCCXAQDESCO-KVQWEKGRSA-N 2 2 311.376 3.230 20 30 DGEDLP C=CCc1cccc(C[N@H+]2CC[C@H](Oc3cc[nH+]cc3C)C2)c1O ZINC001138631457 1091262933 /nfs/dbraw/zinc/26/29/33/1091262933.db2.gz SOGAEFFJXPITOJ-SFHVURJKSA-N 2 2 324.424 3.477 20 30 DGEDLP C=CCc1cccc(C[N@@H+]2CC[C@H](Oc3cc[nH+]cc3C)C2)c1O ZINC001138631457 1091262946 /nfs/dbraw/zinc/26/29/46/1091262946.db2.gz SOGAEFFJXPITOJ-SFHVURJKSA-N 2 2 324.424 3.477 20 30 DGEDLP C=CCC[NH2+]CC1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)CC1 ZINC001205727249 1091324240 /nfs/dbraw/zinc/32/42/40/1091324240.db2.gz AEGMIXFEILKSNE-UHFFFAOYSA-N 2 2 315.461 3.025 20 30 DGEDLP C[C@@H]1C[N@H+](Cc2ccc(N(C)c3ccc(C#N)cc3)cc2)C[C@H]1[NH3+] ZINC001206058859 1091474152 /nfs/dbraw/zinc/47/41/52/1091474152.db2.gz SYDPHWLAZXNTNN-FOIQADDNSA-N 2 2 320.440 3.105 20 30 DGEDLP C[C@@H]1C[N@@H+](Cc2ccc(N(C)c3ccc(C#N)cc3)cc2)C[C@H]1[NH3+] ZINC001206058859 1091474156 /nfs/dbraw/zinc/47/41/56/1091474156.db2.gz SYDPHWLAZXNTNN-FOIQADDNSA-N 2 2 320.440 3.105 20 30 DGEDLP Cc1c[nH+]ccc1O[C@@H]1CC[N@H+](Cc2cc(F)cc(C#N)c2)C1 ZINC001139879306 1091700343 /nfs/dbraw/zinc/70/03/43/1091700343.db2.gz JLPDFGWUPIVPJN-QGZVFWFLSA-N 2 2 311.360 3.054 20 30 DGEDLP Cc1c[nH+]ccc1O[C@@H]1CC[N@@H+](Cc2cc(F)cc(C#N)c2)C1 ZINC001139879306 1091700346 /nfs/dbraw/zinc/70/03/46/1091700346.db2.gz JLPDFGWUPIVPJN-QGZVFWFLSA-N 2 2 311.360 3.054 20 30 DGEDLP N#Cc1ccc2[nH]cc(C[NH+]3CCC(n4cc[nH+]c4)CC3)c2c1 ZINC001140116061 1091773194 /nfs/dbraw/zinc/77/31/94/1091773194.db2.gz PXFRLUSTZBSWDO-UHFFFAOYSA-N 2 2 305.385 3.073 20 30 DGEDLP CC1([NH+]2CCCC2)CC[NH+](Cc2c[nH]c3ccc(C#N)cc23)CC1 ZINC001140117468 1091774569 /nfs/dbraw/zinc/77/45/69/1091774569.db2.gz RTRHMNFXLQTRTD-UHFFFAOYSA-N 2 2 322.456 3.490 20 30 DGEDLP Cc1c[nH+]ccc1O[C@@H]1CC[N@H+](CCCc2cccc(C#N)c2)C1 ZINC001208853980 1092544587 /nfs/dbraw/zinc/54/45/87/1092544587.db2.gz FAIOMZFAPXTTGM-LJQANCHMSA-N 2 2 321.424 3.348 20 30 DGEDLP Cc1c[nH+]ccc1O[C@@H]1CC[N@@H+](CCCc2cccc(C#N)c2)C1 ZINC001208853980 1092544596 /nfs/dbraw/zinc/54/45/96/1092544596.db2.gz FAIOMZFAPXTTGM-LJQANCHMSA-N 2 2 321.424 3.348 20 30 DGEDLP N#Cc1ccc2c(C[NH+]3CCC([NH+]4CCCC4)CC3)c[nH]c2c1 ZINC001142911631 1092584227 /nfs/dbraw/zinc/58/42/27/1092584227.db2.gz CBZOBZBGNNEFCN-UHFFFAOYSA-N 2 2 308.429 3.100 20 30 DGEDLP CCCCCCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CCn1cc[nH+]c1 ZINC001135138101 1094414902 /nfs/dbraw/zinc/41/49/02/1094414902.db2.gz WOIGPYXWALWMKS-DLBZAZTESA-N 2 2 322.497 3.117 20 30 DGEDLP CCCCCCC[NH2+][C@H](C)C[C@@H](C)NC(=O)Cc1[nH]c[nH+]c1C ZINC001136036366 1094808907 /nfs/dbraw/zinc/80/89/07/1094808907.db2.gz VZRSTELDLYBLJW-HUUCEWRRSA-N 2 2 322.497 3.104 20 30 DGEDLP Nc1[nH]c2cc(NC(=[NH2+])c3ccc4cc(O)ccc4c3)ccc2[nH+]1 ZINC001171182422 1095661901 /nfs/dbraw/zinc/66/19/01/1095661901.db2.gz NNHCLWRBZJUGBB-UHFFFAOYSA-N 2 2 317.352 3.041 20 30 DGEDLP C=CCC[NH2+]CCCC[C@H](C)NC(=O)c1c(C)cc(C)[nH+]c1C ZINC001171860848 1096992577 /nfs/dbraw/zinc/99/25/77/1096992577.db2.gz VJHASYNRNDSLPO-HNNXBMFYSA-N 2 2 317.477 3.461 20 30 DGEDLP C=CCOC1CCC([N@@H+]2CC[C@@H](Oc3cc[nH+]cc3C)C2)CC1 ZINC001173325604 1097418238 /nfs/dbraw/zinc/41/82/38/1097418238.db2.gz NLMJWZUUXZFDMC-DAWZGUTISA-N 2 2 316.445 3.357 20 30 DGEDLP C=CCOC1CCC([N@H+]2CC[C@@H](Oc3cc[nH+]cc3C)C2)CC1 ZINC001173325604 1097418241 /nfs/dbraw/zinc/41/82/41/1097418241.db2.gz NLMJWZUUXZFDMC-DAWZGUTISA-N 2 2 316.445 3.357 20 30 DGEDLP N#CCC1CCC(N(c2cc[nH+]cc2F)C2CC[NH2+]CC2)CC1 ZINC001173341510 1097422680 /nfs/dbraw/zinc/42/26/80/1097422680.db2.gz YDIDBTHHPRSMBV-UHFFFAOYSA-N 2 2 316.424 3.252 20 30 DGEDLP CCCCCCC[NH2+]CCCC[C@@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001175462724 1098052765 /nfs/dbraw/zinc/05/27/65/1098052765.db2.gz VTJZOPCJJZDJGX-MRXNPFEDSA-N 2 2 322.497 3.187 20 30 DGEDLP Cc1ccc(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3C)C2)c(C#N)c1 ZINC001232968222 1098186870 /nfs/dbraw/zinc/18/68/70/1098186870.db2.gz FXVUTDAHTAOYDY-GOSISDBHSA-N 2 2 307.397 3.223 20 30 DGEDLP Cc1c[nH+]ccc1O[C@H]1CC[N@H+](Cc2ccccc2CC#N)C1 ZINC001235529369 1099078621 /nfs/dbraw/zinc/07/86/21/1099078621.db2.gz ZHHHYTPJJTYNDE-SFHVURJKSA-N 2 2 307.397 3.109 20 30 DGEDLP Cc1c[nH+]ccc1O[C@H]1CC[N@@H+](Cc2ccccc2CC#N)C1 ZINC001235529369 1099078635 /nfs/dbraw/zinc/07/86/35/1099078635.db2.gz ZHHHYTPJJTYNDE-SFHVURJKSA-N 2 2 307.397 3.109 20 30 DGEDLP CC(C)[N@H+](Cc1cn(C)c2ccc(C#N)cc12)[C@@H]1CCC[NH2+]C1 ZINC001236470738 1099629819 /nfs/dbraw/zinc/62/98/19/1099629819.db2.gz NXEUYZCLCKXRGX-QGZVFWFLSA-N 2 2 310.445 3.012 20 30 DGEDLP CC(C)[N@@H+](Cc1cn(C)c2ccc(C#N)cc12)[C@@H]1CCC[NH2+]C1 ZINC001236470738 1099629822 /nfs/dbraw/zinc/62/98/22/1099629822.db2.gz NXEUYZCLCKXRGX-QGZVFWFLSA-N 2 2 310.445 3.012 20 30 DGEDLP N#CC1(c2ccccc2)CC[NH+](Cc2cccc3c[nH+]cn32)CC1 ZINC001238102318 1100361328 /nfs/dbraw/zinc/36/13/28/1100361328.db2.gz BABWYUPXDYODJI-UHFFFAOYSA-N 2 2 316.408 3.392 20 30 DGEDLP C=CCCC[NH2+][C@H]1CN(C(=O)c2c(C)cc(C)[nH+]c2C)C[C@@H]1C ZINC001274230193 1104332218 /nfs/dbraw/zinc/33/22/18/1104332218.db2.gz XWEZRAHWGXSQFZ-YOEHRIQHSA-N 2 2 315.461 3.023 20 30 DGEDLP CCCCCCCC[C@@H](O)C[NH2+]C[C@@]1(F)CCCC[NH2+]C1 ZINC001245993725 1104348790 /nfs/dbraw/zinc/34/87/90/1104348790.db2.gz OXEJNLGEKGZQKQ-IAGOWNOFSA-N 2 2 302.478 3.169 20 30 DGEDLP CCCCCCCC[C@H](O)C[NH2+][C@@H](C[NH3+])c1cccc(OC)c1 ZINC001246017837 1104352114 /nfs/dbraw/zinc/35/21/14/1104352114.db2.gz CWGBWXAYVQXPKB-HKUYNNGSSA-N 2 2 322.493 3.396 20 30 DGEDLP C=CCCCCCC[C@@H](O)C[NH2+][C@@H](C[NH3+])c1cccc(OC)c1 ZINC001246022918 1104354080 /nfs/dbraw/zinc/35/40/80/1104354080.db2.gz YKJXSGMVQWXPAV-MJGOQNOKSA-N 2 2 320.477 3.172 20 30 DGEDLP CCCCCCC[C@H](CC)[N@@H+]1CC[C@@]2(C(=O)OC)CC[NH2+][C@H]2C1 ZINC001246986248 1104763643 /nfs/dbraw/zinc/76/36/43/1104763643.db2.gz JTNLHPDNGDNBLF-LNLFQRSKSA-N 2 2 324.509 3.353 20 30 DGEDLP CCCCCCC[C@H](CC)[N@H+]1CC[C@@]2(C(=O)OC)CC[NH2+][C@H]2C1 ZINC001246986248 1104763651 /nfs/dbraw/zinc/76/36/51/1104763651.db2.gz JTNLHPDNGDNBLF-LNLFQRSKSA-N 2 2 324.509 3.353 20 30 DGEDLP N#C[C@@H]1CC[C@H]([NH+]2CCC([NH3+])(c3cccc(Cl)c3)CC2)C1 ZINC001254646709 1106121802 /nfs/dbraw/zinc/12/18/02/1106121802.db2.gz CHHATYKYDVTWDT-CJNGLKHVSA-N 2 2 303.837 3.282 20 30 DGEDLP N#C[C@H]1CC[C@H]([NH+]2CCC([NH3+])(c3cccc(Cl)c3)CC2)C1 ZINC001254646708 1106121989 /nfs/dbraw/zinc/12/19/89/1106121989.db2.gz CHHATYKYDVTWDT-BBRMVZONSA-N 2 2 303.837 3.282 20 30 DGEDLP C=C1C[C@@H]2CC([N@H+]3CCO[C@@H](C[NH+](CC)CC)C3)C[C@H](C1)C2 ZINC001257894138 1106642171 /nfs/dbraw/zinc/64/21/71/1106642171.db2.gz KUFXJBZYWWTQDC-SWDXFRIISA-N 2 2 306.494 3.164 20 30 DGEDLP C=C1C[C@@H]2CC([N@@H+]3CCO[C@@H](C[NH+](CC)CC)C3)C[C@H](C1)C2 ZINC001257894138 1106642173 /nfs/dbraw/zinc/64/21/73/1106642173.db2.gz KUFXJBZYWWTQDC-SWDXFRIISA-N 2 2 306.494 3.164 20 30 DGEDLP C=CCC[C@@H](C)[NH2+]CC[C@@H](C)NC(=O)c1c(C)cc(C)[nH+]c1C ZINC001320502812 1107031810 /nfs/dbraw/zinc/03/18/10/1107031810.db2.gz RWNZULILTBUGOZ-HUUCEWRRSA-N 2 2 317.477 3.460 20 30 DGEDLP C=CCC[C@H](C)[NH2+]CC[C@H](C)NC(=O)c1c(C)cc(C)[nH+]c1C ZINC001320502811 1107032240 /nfs/dbraw/zinc/03/22/40/1107032240.db2.gz RWNZULILTBUGOZ-GJZGRUSLSA-N 2 2 317.477 3.460 20 30 DGEDLP C=CCC[C@@H](C)[NH2+]CCN(CC)C(=O)c1c(C)cc(C)[nH+]c1C ZINC001320802733 1107144950 /nfs/dbraw/zinc/14/49/50/1107144950.db2.gz XTRRUZZTVBHWHY-OAHLLOKOSA-N 2 2 317.477 3.413 20 30 DGEDLP Cc1cccc(NC[C@H]2CCC[N@@H+]2Cc2ccc(C#N)cc2)[nH+]1 ZINC001325000779 1108554182 /nfs/dbraw/zinc/55/41/82/1108554182.db2.gz IKAMBWFXHOSSCM-GOSISDBHSA-N 2 2 306.413 3.338 20 30 DGEDLP Cc1cccc(NC[C@H]2CCC[N@H+]2Cc2ccc(C#N)cc2)[nH+]1 ZINC001325000779 1108554194 /nfs/dbraw/zinc/55/41/94/1108554194.db2.gz IKAMBWFXHOSSCM-GOSISDBHSA-N 2 2 306.413 3.338 20 30 DGEDLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)c1ccc(C)c(C#N)c1 ZINC001325157879 1108586310 /nfs/dbraw/zinc/58/63/10/1108586310.db2.gz LWDZGHAIYUKOCY-UHFFFAOYSA-N 2 2 317.352 3.008 20 30 DGEDLP C=C(C)C[N@H+](CC)CCCNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001266066269 1109077416 /nfs/dbraw/zinc/07/74/16/1109077416.db2.gz YPDIPGPNHZUZDC-UHFFFAOYSA-N 2 2 303.450 3.025 20 30 DGEDLP C=C(C)C[N@@H+](CC)CCCNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001266066269 1109077420 /nfs/dbraw/zinc/07/74/20/1109077420.db2.gz YPDIPGPNHZUZDC-UHFFFAOYSA-N 2 2 303.450 3.025 20 30 DGEDLP C=CCCC[NH2+][C@@H](C)CCNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001281734136 1109401157 /nfs/dbraw/zinc/40/11/57/1109401157.db2.gz MRMDXVQEMRYTHZ-AWEZNQCLSA-N 2 2 303.450 3.071 20 30 DGEDLP C=CCCC[N@H+](C)CCCNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001316840435 1111180024 /nfs/dbraw/zinc/18/00/24/1111180024.db2.gz PMQDXJFFCBETCH-UHFFFAOYSA-N 2 2 303.450 3.025 20 30 DGEDLP C=CCCC[N@@H+](C)CCCNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001316840435 1111180027 /nfs/dbraw/zinc/18/00/27/1111180027.db2.gz PMQDXJFFCBETCH-UHFFFAOYSA-N 2 2 303.450 3.025 20 30 DGEDLP C[C@@H]1[C@H]([NH2+]Cc2ccc(C#N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000309718350 231102779 /nfs/dbraw/zinc/10/27/79/231102779.db2.gz LMFJYQPHNGLCCK-OXQOHEQNSA-N 2 2 305.425 3.311 20 30 DGEDLP C[C@@H]1[C@H]([NH2+]Cc2ccc(C#N)cc2)CC[N@H+]1Cc1ccccc1 ZINC000309718350 231102781 /nfs/dbraw/zinc/10/27/81/231102781.db2.gz LMFJYQPHNGLCCK-OXQOHEQNSA-N 2 2 305.425 3.311 20 30 DGEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000106245798 432020174 /nfs/dbraw/zinc/02/01/74/432020174.db2.gz JPJQSMUTBWKROP-UHFFFAOYSA-N 2 2 303.406 3.033 20 30 DGEDLP C=CC[NH+](CC=C)[C@H](C[NH2+][C@H]1CCOC2(CCC2)C1)C(C)C ZINC000449074626 240005438 /nfs/dbraw/zinc/00/54/38/240005438.db2.gz LAIIDAZAQANRPR-ZWKOTPCHSA-N 2 2 306.494 3.376 20 30 DGEDLP N#C[C@@H]1CC[C@H]([NH2+]Cc2c(Cl)cccc2-n2cc[nH+]c2)C1 ZINC000449352683 240152305 /nfs/dbraw/zinc/15/23/05/240152305.db2.gz XSVLSWMCOGIATB-OLZOCXBDSA-N 2 2 300.793 3.308 20 30 DGEDLP C[C@H]([NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1ccccn1 ZINC000181394154 432126592 /nfs/dbraw/zinc/12/65/92/432126592.db2.gz ULZJOPFRJLVEAO-INIZCTEOSA-N 2 2 320.440 3.268 20 30 DGEDLP N#Cc1cccc(C[NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)c1 ZINC000042228132 183244717 /nfs/dbraw/zinc/24/47/17/183244717.db2.gz ZTWZEGPBGLVTNJ-UHFFFAOYSA-N 2 2 302.381 3.093 20 30 DGEDLP N#Cc1ccc(C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c(F)c1 ZINC000157115122 197163084 /nfs/dbraw/zinc/16/30/84/197163084.db2.gz GZYIRJBANZUPSU-KRWDZBQOSA-N 2 2 301.409 3.148 20 30 DGEDLP N#Cc1ccc(C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c(F)c1 ZINC000157115122 197163086 /nfs/dbraw/zinc/16/30/86/197163086.db2.gz GZYIRJBANZUPSU-KRWDZBQOSA-N 2 2 301.409 3.148 20 30 DGEDLP Cc1[nH+]c2ccccc2n1CC[NH2+]Cc1ccc(C#N)cc1F ZINC000343035389 254089131 /nfs/dbraw/zinc/08/91/31/254089131.db2.gz RNTAFGBXUKJCGP-UHFFFAOYSA-N 2 2 308.360 3.145 20 30 DGEDLP N#CCCCOc1cccc(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c1 ZINC000092072135 400151733 /nfs/dbraw/zinc/15/17/33/400151733.db2.gz IVZRDHGCFVJHLN-KRWDZBQOSA-N 2 2 324.428 3.472 20 30 DGEDLP N#CCCCOc1cccc(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c1 ZINC000092072135 400151736 /nfs/dbraw/zinc/15/17/36/400151736.db2.gz IVZRDHGCFVJHLN-KRWDZBQOSA-N 2 2 324.428 3.472 20 30 DGEDLP C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1[NH2+]Cc1ccc(C#N)cc1C(F)(F)F ZINC000595894589 400288898 /nfs/dbraw/zinc/28/88/98/400288898.db2.gz XBPNIMYFGWDRER-JRPNMDOOSA-N 2 2 311.351 3.053 20 30 DGEDLP N#Cc1ccc(C[N@H+]2CCCC[C@H]2CC[NH3+])c(C(F)(F)F)c1 ZINC000595895947 400290836 /nfs/dbraw/zinc/29/08/36/400290836.db2.gz XAJOZIOIQFPVME-AWEZNQCLSA-N 2 2 311.351 3.280 20 30 DGEDLP N#Cc1ccc(C[N@@H+]2CCCC[C@H]2CC[NH3+])c(C(F)(F)F)c1 ZINC000595895947 400290840 /nfs/dbraw/zinc/29/08/40/400290840.db2.gz XAJOZIOIQFPVME-AWEZNQCLSA-N 2 2 311.351 3.280 20 30 DGEDLP N#Cc1ccc(C[NH2+]Cc2ccccc2Cn2cc[nH+]c2)cc1 ZINC000069675986 400338608 /nfs/dbraw/zinc/33/86/08/400338608.db2.gz DNZPEZSSUHIDGH-UHFFFAOYSA-N 2 2 302.381 3.093 20 30 DGEDLP COc1cccc([C@@H](C[NH2+]C[C@H](C)CCC#N)[NH+]2CCCC2)c1 ZINC000602501404 400481603 /nfs/dbraw/zinc/48/16/03/400481603.db2.gz GZIGKQPZKQZGMV-VQIMIIECSA-N 2 2 315.461 3.362 20 30 DGEDLP Cc1cccc2[nH+]c(CC[NH2+][C@H](C)c3cccc(C#N)c3)cn21 ZINC000592402501 400646848 /nfs/dbraw/zinc/64/68/48/400646848.db2.gz IMJSQQJEYCZWID-OAHLLOKOSA-N 2 2 304.397 3.408 20 30 DGEDLP N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+][C@@H]1CC[N@H+](CC2CC2)C1 ZINC000619508249 400858160 /nfs/dbraw/zinc/85/81/60/400858160.db2.gz CUGPNHFOHZHINX-QUCCMNQESA-N 2 2 309.457 3.400 20 30 DGEDLP N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+][C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000619508249 400858164 /nfs/dbraw/zinc/85/81/64/400858164.db2.gz CUGPNHFOHZHINX-QUCCMNQESA-N 2 2 309.457 3.400 20 30 DGEDLP C[C@@H]([NH2+]C(C)(C)C[NH2+]C[C@H](O)CC(C)(C)C#N)c1ccccc1 ZINC000598719423 400864890 /nfs/dbraw/zinc/86/48/90/400864890.db2.gz IAXYMKRTCJBBQP-NVXWUHKLSA-N 2 2 317.477 3.006 20 30 DGEDLP N#Cc1cccc(C[NH+]2CCC([NH2+]Cc3cccs3)CC2)c1 ZINC000593687177 400891341 /nfs/dbraw/zinc/89/13/41/400891341.db2.gz CYWHEDJMCCZFSY-UHFFFAOYSA-N 2 2 311.454 3.374 20 30 DGEDLP Cc1occc1C[NH2+]C1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593691896 400892259 /nfs/dbraw/zinc/89/22/59/400892259.db2.gz TXGUSCCAWOCAPC-UHFFFAOYSA-N 2 2 309.413 3.214 20 30 DGEDLP C[C@H]([NH2+]C1CC[NH+](Cc2cccc(C#N)c2)CC1)c1ccoc1 ZINC000593721157 400899440 /nfs/dbraw/zinc/89/94/40/400899440.db2.gz KGSRWGXADZTZRH-HNNXBMFYSA-N 2 2 309.413 3.466 20 30 DGEDLP C=CC[NH+]1CCC([NH2+][C@H]2CCCc3c(OC)cccc32)CC1 ZINC000194886268 400922842 /nfs/dbraw/zinc/92/28/42/400922842.db2.gz TWXNTDWVNUCUDB-SFHVURJKSA-N 2 2 300.446 3.313 20 30 DGEDLP C[C@H]1C[C@H]([NH2+]CCc2ccc(C#N)cc2)C[N@@H+]1Cc1ccccc1 ZINC000594956280 401207114 /nfs/dbraw/zinc/20/71/14/401207114.db2.gz WMHSROSOPNPPAY-UWJYYQICSA-N 2 2 319.452 3.353 20 30 DGEDLP C[C@H]1C[C@H]([NH2+]CCc2ccc(C#N)cc2)C[N@H+]1Cc1ccccc1 ZINC000594956280 401207121 /nfs/dbraw/zinc/20/71/21/401207121.db2.gz WMHSROSOPNPPAY-UWJYYQICSA-N 2 2 319.452 3.353 20 30 DGEDLP Cn1cc(C[NH2+]C[C@@]2(C)CCC[N@@H+]2Cc2ccccc2)cc1C#N ZINC000191617868 165260381 /nfs/dbraw/zinc/26/03/81/165260381.db2.gz CKSMYOGRLONFOC-HXUWFJFHSA-N 2 2 322.456 3.041 20 30 DGEDLP Cn1cc(C[NH2+]C[C@@]2(C)CCC[N@H+]2Cc2ccccc2)cc1C#N ZINC000191617868 165260386 /nfs/dbraw/zinc/26/03/86/165260386.db2.gz CKSMYOGRLONFOC-HXUWFJFHSA-N 2 2 322.456 3.041 20 30 DGEDLP Cc1ccc(NC2CC[NH+](Cc3ccc(C#N)cc3)CC2)[nH+]c1 ZINC000182740675 432224517 /nfs/dbraw/zinc/22/45/17/432224517.db2.gz SYNLVMPKOJZGEA-UHFFFAOYSA-N 2 2 306.413 3.338 20 30 DGEDLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC(C)(C)CCC#N ZINC000174403806 228290423 /nfs/dbraw/zinc/29/04/23/228290423.db2.gz CXSVWUJSCDIVNV-AEFFLSMTSA-N 2 2 314.477 3.212 20 30 DGEDLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC(C)(C)CCC#N ZINC000174403806 228290424 /nfs/dbraw/zinc/29/04/24/228290424.db2.gz CXSVWUJSCDIVNV-AEFFLSMTSA-N 2 2 314.477 3.212 20 30 DGEDLP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](Cc2ccc(C#N)cn2)C1 ZINC000516702098 269889985 /nfs/dbraw/zinc/88/99/85/269889985.db2.gz KUUXISYJOHSTHO-FUHWJXTLSA-N 2 2 312.461 3.040 20 30 DGEDLP C[C@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](Cc2ccc(C#N)cn2)C1 ZINC000516702098 269889986 /nfs/dbraw/zinc/88/99/86/269889986.db2.gz KUUXISYJOHSTHO-FUHWJXTLSA-N 2 2 312.461 3.040 20 30 DGEDLP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](Cc2ccc(C#N)cn2)C1 ZINC000516702098 269889987 /nfs/dbraw/zinc/88/99/87/269889987.db2.gz KUUXISYJOHSTHO-FUHWJXTLSA-N 2 2 312.461 3.040 20 30 DGEDLP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](Cc2ccc(C#N)cn2)C1 ZINC000516702098 269889988 /nfs/dbraw/zinc/88/99/88/269889988.db2.gz KUUXISYJOHSTHO-FUHWJXTLSA-N 2 2 312.461 3.040 20 30 DGEDLP N#Cc1ccccc1C[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000348329931 264391829 /nfs/dbraw/zinc/39/18/29/264391829.db2.gz WWZIMZUWRXLAIN-OYRHEFFESA-N 2 2 317.436 3.122 20 30 DGEDLP N#Cc1ccccc1C[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000348329931 264391830 /nfs/dbraw/zinc/39/18/30/264391830.db2.gz WWZIMZUWRXLAIN-OYRHEFFESA-N 2 2 317.436 3.122 20 30 DGEDLP N#Cc1ccccc1C[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000348329931 264391831 /nfs/dbraw/zinc/39/18/31/264391831.db2.gz WWZIMZUWRXLAIN-OYRHEFFESA-N 2 2 317.436 3.122 20 30 DGEDLP N#Cc1ccccc1C[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000348329931 264391832 /nfs/dbraw/zinc/39/18/32/264391832.db2.gz WWZIMZUWRXLAIN-OYRHEFFESA-N 2 2 317.436 3.122 20 30 DGEDLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cn3ccccc3c2C#N)C[C@H]1C ZINC000354221310 266155840 /nfs/dbraw/zinc/15/58/40/266155840.db2.gz JBIFQEULIJZGLQ-WBVHZDCISA-N 2 2 310.445 3.116 20 30 DGEDLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cn3ccccc3c2C#N)C[C@H]1C ZINC000354221310 266155843 /nfs/dbraw/zinc/15/58/43/266155843.db2.gz JBIFQEULIJZGLQ-WBVHZDCISA-N 2 2 310.445 3.116 20 30 DGEDLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cn3ccccc3c2C#N)C[C@H]1C ZINC000354221310 266155846 /nfs/dbraw/zinc/15/58/46/266155846.db2.gz JBIFQEULIJZGLQ-WBVHZDCISA-N 2 2 310.445 3.116 20 30 DGEDLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cn3ccccc3c2C#N)C[C@H]1C ZINC000354221310 266155848 /nfs/dbraw/zinc/15/58/48/266155848.db2.gz JBIFQEULIJZGLQ-WBVHZDCISA-N 2 2 310.445 3.116 20 30 DGEDLP N#Cc1ccc2c(c1)[C@H]([NH2+]CCCCNc1cccc[nH+]1)CC2 ZINC000353406848 268223191 /nfs/dbraw/zinc/22/31/91/268223191.db2.gz AUCFYGSXZHEEQV-GOSISDBHSA-N 2 2 306.413 3.422 20 30 DGEDLP N#Cc1csc(C[NH+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC000355321464 268320346 /nfs/dbraw/zinc/32/03/46/268320346.db2.gz UARWTIGLPFIZAO-QZTJIDSGSA-N 2 2 323.465 3.184 20 30 DGEDLP N#Cc1ccc(C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c(F)c1 ZINC000075834486 431501708 /nfs/dbraw/zinc/50/17/08/431501708.db2.gz IHGVMIHKBBRGOM-MRXNPFEDSA-N 2 2 301.409 3.005 20 30 DGEDLP N#Cc1ccc(C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c(F)c1 ZINC000075834486 431501712 /nfs/dbraw/zinc/50/17/12/431501712.db2.gz IHGVMIHKBBRGOM-MRXNPFEDSA-N 2 2 301.409 3.005 20 30 DGEDLP N#Cc1ccc(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)c(F)c1 ZINC000078529873 431679474 /nfs/dbraw/zinc/67/94/74/431679474.db2.gz ISXLRPUXDGRYRZ-UHFFFAOYSA-N 2 2 323.415 3.452 20 30 DGEDLP N#Cc1cc(C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)ccc1F ZINC000121534906 431800652 /nfs/dbraw/zinc/80/06/52/431800652.db2.gz WUDLMIQEMUVTOG-INIZCTEOSA-N 2 2 301.409 3.005 20 30 DGEDLP N#Cc1cc(C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)ccc1F ZINC000121534906 431800656 /nfs/dbraw/zinc/80/06/56/431800656.db2.gz WUDLMIQEMUVTOG-INIZCTEOSA-N 2 2 301.409 3.005 20 30 DGEDLP N#Cc1ccc(C[NH2+]CC2([NH+]3CCSCC3)CCCC2)cc1 ZINC000048711938 431931580 /nfs/dbraw/zinc/93/15/80/431931580.db2.gz SEXZSDQYIREHKY-UHFFFAOYSA-N 2 2 315.486 3.009 20 30 DGEDLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+][C@@H]2CCC[C@@H](C#N)C2)CC1 ZINC000248914309 432329237 /nfs/dbraw/zinc/32/92/37/432329237.db2.gz VVSCGOFPAFFVTG-GPMSIDNRSA-N 2 2 312.461 3.279 20 30 DGEDLP C[C@@H]([NH2+]Cc1ccc(C#N)o1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272134323 432450673 /nfs/dbraw/zinc/45/06/73/432450673.db2.gz AAFSBFNILMDMLX-WBVHZDCISA-N 2 2 309.413 3.151 20 30 DGEDLP C[C@@H]([NH2+]Cc1ccc(C#N)o1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272134323 432450677 /nfs/dbraw/zinc/45/06/77/432450677.db2.gz AAFSBFNILMDMLX-WBVHZDCISA-N 2 2 309.413 3.151 20 30 DGEDLP N#C[C@@H]1CCC[C@@H]([NH2+]CC2([NH+]3CCSCC3)CCCCC2)C1 ZINC000185825989 432536359 /nfs/dbraw/zinc/53/63/59/432536359.db2.gz GUICCCZDOBSHTK-IAGOWNOFSA-N 2 2 321.534 3.410 20 30 DGEDLP C[N@@H+]1CCC[C@@H]2C[NH+](CC#Cc3cccc(Cl)c3)CC[C@@H]21 ZINC000157170803 432615319 /nfs/dbraw/zinc/61/53/19/432615319.db2.gz BHERZXDNKYHVEK-AEFFLSMTSA-N 2 2 302.849 3.108 20 30 DGEDLP C[N@H+]1CCC[C@@H]2C[NH+](CC#Cc3cccc(Cl)c3)CC[C@@H]21 ZINC000157170803 432615324 /nfs/dbraw/zinc/61/53/24/432615324.db2.gz BHERZXDNKYHVEK-AEFFLSMTSA-N 2 2 302.849 3.108 20 30 DGEDLP C[NH+]1CCC[C@@H]2C[N@H+](CC#Cc3cccc(Cl)c3)CC[C@@H]21 ZINC000157170803 432615329 /nfs/dbraw/zinc/61/53/29/432615329.db2.gz BHERZXDNKYHVEK-AEFFLSMTSA-N 2 2 302.849 3.108 20 30 DGEDLP C[NH+]1CCC[C@@H]2C[N@@H+](CC#Cc3cccc(Cl)c3)CC[C@@H]21 ZINC000157170803 432615331 /nfs/dbraw/zinc/61/53/31/432615331.db2.gz BHERZXDNKYHVEK-AEFFLSMTSA-N 2 2 302.849 3.108 20 30 DGEDLP CC(C)[NH+]1CCC([N@H+](C)Cc2cn3ccccc3c2C#N)CC1 ZINC000263721909 432569540 /nfs/dbraw/zinc/56/95/40/432569540.db2.gz RBUICYKIKPYVPA-UHFFFAOYSA-N 2 2 310.445 3.116 20 30 DGEDLP CC(C)[NH+]1CCC([N@@H+](C)Cc2cn3ccccc3c2C#N)CC1 ZINC000263721909 432569545 /nfs/dbraw/zinc/56/95/45/432569545.db2.gz RBUICYKIKPYVPA-UHFFFAOYSA-N 2 2 310.445 3.116 20 30 DGEDLP C=CC[NH+]1CCC([NH2+]Cc2ccc3c(c2)COC(C)(C)O3)CC1 ZINC000186377955 432587597 /nfs/dbraw/zinc/58/75/97/432587597.db2.gz VYSBAYWVYWIWSS-UHFFFAOYSA-N 2 2 316.445 3.072 20 30 DGEDLP N#Cc1csc(C[NH2+]CCc2[nH+]ccn2Cc2ccccc2)c1 ZINC000177684204 432649907 /nfs/dbraw/zinc/64/99/07/432649907.db2.gz RQBNWUKLIVFWOO-UHFFFAOYSA-N 2 2 322.437 3.197 20 30 DGEDLP C[C@@H]([NH2+]C1CC[NH+](Cc2ccncc2)CC1)c1cccc(C#N)c1 ZINC000178176468 432702793 /nfs/dbraw/zinc/70/27/93/432702793.db2.gz JWDRTCQVSDVWTE-MRXNPFEDSA-N 2 2 320.440 3.268 20 30 DGEDLP C[C@H](C#N)Oc1ccc(C[N@@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000245724411 432859413 /nfs/dbraw/zinc/85/94/13/432859413.db2.gz DQDJKTXGDNSWMZ-FCEWJHQRSA-N 2 2 324.428 3.257 20 30 DGEDLP CC[NH+](CC)[C@@H](CNc1cc(C)[nH+]cc1C#N)c1ccsc1 ZINC000425207043 433121468 /nfs/dbraw/zinc/12/14/68/433121468.db2.gz MCGVKXOMDGBUMJ-KRWDZBQOSA-N 2 2 314.458 3.240 20 30 DGEDLP C[C@H]1C[C@@H]([NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)CS1 ZINC000414235383 433474872 /nfs/dbraw/zinc/47/48/72/433474872.db2.gz UJYSHDVFSYXNAG-KBXCAEBGSA-N 2 2 315.486 3.006 20 30 DGEDLP C=CCOc1ccccc1C[NH2+][C@H](Cc1ccccc1)[C@H](C)[NH3+] ZINC000422901391 434095040 /nfs/dbraw/zinc/09/50/40/434095040.db2.gz BXVMNIHEBPNADX-QFBILLFUSA-N 2 2 310.441 3.300 20 30 DGEDLP C[C@H]([NH2+]CC[N@H+](C)Cc1ccccc1)c1ccc(C#N)c(F)c1 ZINC000346205801 434197496 /nfs/dbraw/zinc/19/74/96/434197496.db2.gz VQJAIZNIJIZJST-HNNXBMFYSA-N 2 2 311.404 3.480 20 30 DGEDLP C[C@H]([NH2+]CC[N@@H+](C)Cc1ccccc1)c1ccc(C#N)c(F)c1 ZINC000346205801 434197510 /nfs/dbraw/zinc/19/75/10/434197510.db2.gz VQJAIZNIJIZJST-HNNXBMFYSA-N 2 2 311.404 3.480 20 30 DGEDLP C=CC[NH+](CC=C)[C@@H](CNc1cc(C)[nH+]c(C2CC2)n1)C(C)C ZINC000346670937 434258516 /nfs/dbraw/zinc/25/85/16/434258516.db2.gz LKXVBCXFPLGXIM-KRWDZBQOSA-N 2 2 314.477 3.773 20 30 DGEDLP C[N@H+](CCC[NH2+]Cc1ccc(C#N)cc1F)C1CCCCC1 ZINC000386972230 434316863 /nfs/dbraw/zinc/31/68/63/434316863.db2.gz YPJXBSIHEIVBFO-UHFFFAOYSA-N 2 2 303.425 3.442 20 30 DGEDLP C[N@@H+](CCC[NH2+]Cc1ccc(C#N)cc1F)C1CCCCC1 ZINC000386972230 434316867 /nfs/dbraw/zinc/31/68/67/434316867.db2.gz YPJXBSIHEIVBFO-UHFFFAOYSA-N 2 2 303.425 3.442 20 30 DGEDLP N#C[C@@H]1CCC[C@H]([NH2+][C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)c(F)c2)C1 ZINC000423361021 434382170 /nfs/dbraw/zinc/38/21/70/434382170.db2.gz GKQCLPGTIDUPDQ-MJXUCMMTSA-N 2 2 319.399 3.082 20 30 DGEDLP C=CC[C@@H](C)[C@@H](C)[NH2+]CC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000423545482 434483952 /nfs/dbraw/zinc/48/39/52/434483952.db2.gz CRCYLHXVHWHVPQ-QZTJIDSGSA-N 3 2 315.505 3.170 20 30 DGEDLP C=CCC[C@@H](CC)[NH2+]CC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000423578699 434495092 /nfs/dbraw/zinc/49/50/92/434495092.db2.gz UUKWIHXWJAKHHU-LJQANCHMSA-N 3 2 315.505 3.314 20 30 DGEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2cc(OC)c(O)cc2Cl)CC1 ZINC000638524819 435046881 /nfs/dbraw/zinc/04/68/81/435046881.db2.gz SKTYDBLFNYIODB-UHFFFAOYSA-N 2 2 324.852 3.184 20 30 DGEDLP N#CC1(C[NH2+]C2CC[NH+](Cc3ccc(Cl)cc3)CC2)CC1 ZINC000562384615 435258591 /nfs/dbraw/zinc/25/85/91/435258591.db2.gz XGPOTEIHKQDIRS-UHFFFAOYSA-N 2 2 303.837 3.198 20 30 DGEDLP C[C@@H]1C[C@@H]([NH2+]C[C@@H](C#N)CCC#N)CC[N@@H+]1Cc1ccccc1 ZINC000516840473 435554490 /nfs/dbraw/zinc/55/44/90/435554490.db2.gz YJDFIJRFABURLI-QRQLOZEOSA-N 2 2 310.445 3.073 20 30 DGEDLP C[C@@H]1C[C@@H]([NH2+]C[C@@H](C#N)CCC#N)CC[N@H+]1Cc1ccccc1 ZINC000516840473 435554493 /nfs/dbraw/zinc/55/44/93/435554493.db2.gz YJDFIJRFABURLI-QRQLOZEOSA-N 2 2 310.445 3.073 20 30 DGEDLP C#C[C@H]([NH2+]Cc1cn(-c2cc[nH+]cc2)nc1C)c1ccc(F)cc1 ZINC000491666804 435789281 /nfs/dbraw/zinc/78/92/81/435789281.db2.gz JZLRPDZHDJLPJV-IBGZPJMESA-N 2 2 320.371 3.179 20 30 DGEDLP C=CCCCCC[NH2+]C[C@@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000656152986 435903084 /nfs/dbraw/zinc/90/30/84/435903084.db2.gz FJYPYMDEMIDAMD-QGZVFWFLSA-N 2 2 315.461 3.350 20 30 DGEDLP C=CCC[C@H](O)C[NH+]1CCC(Cc2[nH]c3ccccc3[nH+]2)CC1 ZINC000660854754 435909786 /nfs/dbraw/zinc/90/97/86/435909786.db2.gz CFHSJZGOCURQNZ-INIZCTEOSA-N 2 2 313.445 3.145 20 30 DGEDLP C=CCOc1ccc(C[NH2+]C[C@@H]2CC[N@@H+]2C(C)(C)C)cc1OC ZINC000657522816 436232580 /nfs/dbraw/zinc/23/25/80/436232580.db2.gz DYRDCYVUXGSNJX-INIZCTEOSA-N 2 2 318.461 3.222 20 30 DGEDLP C=CCOc1ccc(C[NH2+]C[C@@H]2CC[N@H+]2C(C)(C)C)cc1OC ZINC000657522816 436232582 /nfs/dbraw/zinc/23/25/82/436232582.db2.gz DYRDCYVUXGSNJX-INIZCTEOSA-N 2 2 318.461 3.222 20 30 DGEDLP Cc1cc(C[NH2+]C[C@H](C)[N@H+](C)Cc2ccccc2)ccc1C#N ZINC000443964977 533701305 /nfs/dbraw/zinc/70/13/05/533701305.db2.gz VZTAZTANPYHDHT-KRWDZBQOSA-N 2 2 307.441 3.477 20 30 DGEDLP Cc1cc(C[NH2+]C[C@H](C)[N@@H+](C)Cc2ccccc2)ccc1C#N ZINC000443964977 533701313 /nfs/dbraw/zinc/70/13/13/533701313.db2.gz VZTAZTANPYHDHT-KRWDZBQOSA-N 2 2 307.441 3.477 20 30 DGEDLP C[NH+](C)Cc1ccc(C(N)=[NH+]OCCCCC(F)(F)F)cc1 ZINC000269851992 334004536 /nfs/dbraw/zinc/00/45/36/334004536.db2.gz PQRXOUPIFWVELM-UHFFFAOYSA-N 2 2 317.355 3.118 20 30 DGEDLP C=CC[NH+]1CCC([NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000532231676 335922223 /nfs/dbraw/zinc/92/22/23/335922223.db2.gz VTUJKLJBUMJREB-CQSZACIVSA-N 2 2 303.406 3.204 20 30 DGEDLP C=CC[NH+]1CCC([NH2+][C@@H](Cc2cccc(OC)c2)C2CC2)CC1 ZINC000179023613 337166762 /nfs/dbraw/zinc/16/67/62/337166762.db2.gz XNNPXGKHZMWNBO-FQEVSTJZSA-N 2 2 314.473 3.256 20 30 DGEDLP C=C(C)COCC[NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000090451404 341415799 /nfs/dbraw/zinc/41/57/99/341415799.db2.gz NWMBHRHDVIVLMZ-UHFFFAOYSA-N 2 2 322.880 3.487 20 30 DGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]CC[C@@H]3CC3(F)F)CC2)cc1 ZINC000598646336 501031830 /nfs/dbraw/zinc/03/18/30/501031830.db2.gz FLCACQLQDSGEQM-MRXNPFEDSA-N 2 2 319.399 3.158 20 30 DGEDLP COc1cccc([C@H](C[NH2+][C@H]2CC[C@@H](C#N)C2)[NH+]2CCCC2)c1 ZINC000442647139 533780987 /nfs/dbraw/zinc/78/09/87/533780987.db2.gz LERPXVGAKKQVJW-AYBZRNKSSA-N 2 2 313.445 3.114 20 30 DGEDLP Cc1c[nH+]ccc1OC1CC[NH+](Cc2ccc(CC#N)cc2)CC1 ZINC000352355050 534711840 /nfs/dbraw/zinc/71/18/40/534711840.db2.gz ASTBKGUTDIUZGX-UHFFFAOYSA-N 2 2 321.424 3.500 20 30 DGEDLP N#Cc1csc(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000177680029 534830076 /nfs/dbraw/zinc/83/00/76/534830076.db2.gz XFKACZPWLSVYHT-UHFFFAOYSA-N 2 2 311.454 3.374 20 30 DGEDLP C=CC[NH+]1CCC([NH2+][C@H](Cc2ccccn2)c2cccnc2)CC1 ZINC000338168864 526455089 /nfs/dbraw/zinc/45/50/89/526455089.db2.gz ILPWVUXULKZGKN-HXUWFJFHSA-N 2 2 322.456 3.000 20 30 DGEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2cc(Cl)cc(OC)c2O)CC1 ZINC000184707414 526601499 /nfs/dbraw/zinc/60/14/99/526601499.db2.gz CPGYJNJZCPZBFZ-UHFFFAOYSA-N 2 2 324.852 3.184 20 30 DGEDLP C=CCOc1cccc(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)c1 ZINC000354025936 526900490 /nfs/dbraw/zinc/90/04/90/526900490.db2.gz LBZVRKUKATUZAZ-LJQANCHMSA-N 2 2 310.397 3.300 20 30 DGEDLP C=CCOc1cccc(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)c1 ZINC000354025936 526900495 /nfs/dbraw/zinc/90/04/95/526900495.db2.gz LBZVRKUKATUZAZ-LJQANCHMSA-N 2 2 310.397 3.300 20 30 DGEDLP C=CC[C@H](CO)C[NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000341870517 527185942 /nfs/dbraw/zinc/18/59/42/527185942.db2.gz CGADQQBESHYBNK-HNNXBMFYSA-N 2 2 322.880 3.079 20 30 DGEDLP C=C[C@@H]1CCCC[N@@H+]1C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000342121353 527456915 /nfs/dbraw/zinc/45/69/15/527456915.db2.gz DRCKVWZPQVTRIX-UXHICEINSA-N 2 2 314.473 3.318 20 30 DGEDLP C=C[C@@H]1CCCC[N@H+]1C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000342121353 527456920 /nfs/dbraw/zinc/45/69/20/527456920.db2.gz DRCKVWZPQVTRIX-UXHICEINSA-N 2 2 314.473 3.318 20 30 DGEDLP C=C[C@@H]1CCCC[NH+]1C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000342121353 527456928 /nfs/dbraw/zinc/45/69/28/527456928.db2.gz DRCKVWZPQVTRIX-UXHICEINSA-N 2 2 314.473 3.318 20 30 DGEDLP C=C[C@@H]1CCCC[NH+]1C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000342121353 527456931 /nfs/dbraw/zinc/45/69/31/527456931.db2.gz DRCKVWZPQVTRIX-UXHICEINSA-N 2 2 314.473 3.318 20 30 DGEDLP C[C@H]1C[C@@H]([NH2+]CC#Cc2ccc(C(F)(F)F)cc2)CC[N@@H+]1C ZINC000181214500 546155564 /nfs/dbraw/zinc/15/55/64/546155564.db2.gz FZRLTANXCOAQLP-BBRMVZONSA-N 2 2 310.363 3.129 20 30 DGEDLP C[C@H]1C[C@@H]([NH2+]CC#Cc2ccc(C(F)(F)F)cc2)CC[N@H+]1C ZINC000181214500 546155569 /nfs/dbraw/zinc/15/55/69/546155569.db2.gz FZRLTANXCOAQLP-BBRMVZONSA-N 2 2 310.363 3.129 20 30 DGEDLP C[C@@H]1C[C@H]([NH2+]CC#Cc2ccc(C(F)(F)F)cc2)CC[N@@H+]1C ZINC000181214450 546155839 /nfs/dbraw/zinc/15/58/39/546155839.db2.gz FZRLTANXCOAQLP-CZUORRHYSA-N 2 2 310.363 3.129 20 30 DGEDLP C[C@@H]1C[C@H]([NH2+]CC#Cc2ccc(C(F)(F)F)cc2)CC[N@H+]1C ZINC000181214450 546155847 /nfs/dbraw/zinc/15/58/47/546155847.db2.gz FZRLTANXCOAQLP-CZUORRHYSA-N 2 2 310.363 3.129 20 30 DGEDLP C=CC[NH+]1CCC([NH2+]Cc2cscc2Br)CC1 ZINC000286348551 546403135 /nfs/dbraw/zinc/40/31/35/546403135.db2.gz FLXTWWXKLQJZRS-UHFFFAOYSA-N 2 2 315.280 3.251 20 30 DGEDLP C=CCC[C@@H](CC)[NH2+][C@]1(CO)CCC[N@H+](Cc2ccccc2)C1 ZINC000679045140 548822549 /nfs/dbraw/zinc/82/25/49/548822549.db2.gz SQTILFBNXWIJPU-WOJBJXKFSA-N 2 2 316.489 3.348 20 30 DGEDLP C=CCC[C@@H](CC)[NH2+][C@]1(CO)CCC[N@@H+](Cc2ccccc2)C1 ZINC000679045140 548822551 /nfs/dbraw/zinc/82/25/51/548822551.db2.gz SQTILFBNXWIJPU-WOJBJXKFSA-N 2 2 316.489 3.348 20 30 DGEDLP Cc1cc(C)cc(CO[NH+]=C(N)c2ccc(C[NH+](C)C)cc2)c1 ZINC000747838885 575545406 /nfs/dbraw/zinc/54/54/06/575545406.db2.gz QBLJYMHDVMSKHF-UHFFFAOYSA-N 2 2 311.429 3.202 20 30 DGEDLP C=C(Cl)COc1ccc([C@@H](C)[NH2+]CC23CC(C2)C[NH2+]3)cc1 ZINC000854228219 620786253 /nfs/dbraw/zinc/78/62/53/620786253.db2.gz SILXLRDVXYKCTB-TUBUQKNSSA-N 2 2 306.837 3.221 20 30 DGEDLP C=C(C)C[NH+]1CCC([NH2+][C@H](C)c2ccnn2C2CCC2)CC1 ZINC000924983581 618756842 /nfs/dbraw/zinc/75/68/42/618756842.db2.gz CRLBBZZVCCHQMM-OAHLLOKOSA-N 2 2 302.466 3.299 20 30 DGEDLP C=C(C)C[NH+]1CCC([NH2+][C@H](C)c2cccc3c2OCO3)CC1 ZINC000924989417 618757982 /nfs/dbraw/zinc/75/79/82/618757982.db2.gz VATHJUKAPWGFHN-CQSZACIVSA-N 2 2 302.418 3.106 20 30 DGEDLP C#CCCOc1ccc(C[NH+]2CCC(C)([NH+]3CCC3)CC2)cc1 ZINC000895671505 618816521 /nfs/dbraw/zinc/81/65/21/618816521.db2.gz PYQKJEPULMUFPV-UHFFFAOYSA-N 2 2 312.457 3.149 20 30 DGEDLP C=CC[NH+]1CCC([NH2+][C@H](C)c2ccc(C(=O)OC)cc2C)CC1 ZINC000902796078 619678119 /nfs/dbraw/zinc/67/81/19/619678119.db2.gz MMUMXPSAFSKAFC-OAHLLOKOSA-N 2 2 316.445 3.083 20 30 DGEDLP C=CCC[C@H]([NH2+][C@H](CC[NH+](C)C)c1cccnc1)[C@@H]1CCCO1 ZINC000903377360 619767884 /nfs/dbraw/zinc/76/78/84/619767884.db2.gz LFPLEAWJETXPPB-QYZOEREBSA-N 2 2 317.477 3.178 20 30 DGEDLP N#Cc1cc(Cl)cc(C[N@@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)c1 ZINC000903453959 619779345 /nfs/dbraw/zinc/77/93/45/619779345.db2.gz QDRCUBFDGPJRHP-RDJZCZTQSA-N 2 2 303.837 3.176 20 30 DGEDLP N#Cc1cc(Cl)cc(C[N@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)c1 ZINC000903453959 619779346 /nfs/dbraw/zinc/77/93/46/619779346.db2.gz QDRCUBFDGPJRHP-RDJZCZTQSA-N 2 2 303.837 3.176 20 30 DGEDLP C[C@H](C[NH2+][C@@H](C)c1cccc(C#N)c1O)C[NH+]1CCCCC1 ZINC000866237466 622072809 /nfs/dbraw/zinc/07/28/09/622072809.db2.gz DGSRAPALDUCJAA-CABCVRRESA-N 2 2 301.434 3.036 20 30 DGEDLP CC(C)(C)[C@H](Cn1cc[nH+]c1)[NH2+]Cc1cccc(F)c1C#N ZINC000873021570 623019423 /nfs/dbraw/zinc/01/94/23/623019423.db2.gz LHWPDFIXIFSZHE-INIZCTEOSA-N 2 2 300.381 3.098 20 30 DGEDLP N#Cc1cccc(C[NH2+]C2CC[NH+](CC3CCCCC3)CC2)n1 ZINC000876993679 623762284 /nfs/dbraw/zinc/76/22/84/623762284.db2.gz NAMGIOUPCVEGMX-UHFFFAOYSA-N 2 2 312.461 3.088 20 30 DGEDLP C=CCC[C@@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)[C@@H]1CCCO1 ZINC000883177359 625954978 /nfs/dbraw/zinc/95/49/78/625954978.db2.gz YSIMSQYCARSKTI-MJGOQNOKSA-N 2 2 311.429 3.476 20 30 DGEDLP C#C[C@@H]([NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1)C(C)(C)C ZINC000809782297 626952589 /nfs/dbraw/zinc/95/25/89/626952589.db2.gz NTLHODWUHIQEJX-LJQANCHMSA-N 2 2 313.489 3.359 20 30 DGEDLP C[C@@H]1C[C@@H]1[C@H]1C[C@@H]1C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000886281054 627130381 /nfs/dbraw/zinc/13/03/81/627130381.db2.gz RCMIUKQFGWZCHX-NXXWWENFSA-N 2 2 323.484 3.404 20 30 DGEDLP Cc1[nH]c(C2CC[NH+](Cc3ccc(F)c(C#N)c3)CC2)[nH+]c1C ZINC000886664649 627183618 /nfs/dbraw/zinc/18/36/18/627183618.db2.gz TZMAOIUEORSRDC-UHFFFAOYSA-N 2 2 312.392 3.417 20 30 DGEDLP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)c2ccnn2C2CCC2)CC1 ZINC000924983465 627699503 /nfs/dbraw/zinc/69/95/03/627699503.db2.gz CRLBBZZVCCHQMM-HNNXBMFYSA-N 2 2 302.466 3.299 20 30 DGEDLP CC(C)CC[NH+]1CCC([NH2+]Cc2ccc(C#N)cc2F)CC1 ZINC000924981349 627699612 /nfs/dbraw/zinc/69/96/12/627699612.db2.gz VLXGTMWYPYZMBU-UHFFFAOYSA-N 2 2 303.425 3.297 20 30 DGEDLP CC[C@@H](C#N)Oc1cccc(C[NH2+][C@H]2CC[NH2+]C23CCCC3)c1 ZINC000925619899 627763627 /nfs/dbraw/zinc/76/36/27/627763627.db2.gz RULABDGOLUWKEV-WMZOPIPTSA-N 2 2 313.445 3.132 20 30 DGEDLP CSc1ccc(C[NH2+][C@@H]2CC[NH2+]C23CCCC3)cc1C#N ZINC000925773422 627792828 /nfs/dbraw/zinc/79/28/28/627792828.db2.gz NKDBKZQRASRQSY-MRXNPFEDSA-N 2 2 301.459 3.044 20 30 DGEDLP C#Cc1cccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)c1 ZINC000834903758 629803730 /nfs/dbraw/zinc/80/37/30/629803730.db2.gz RCRPJGOEAIBTTL-LAUBAEHRSA-N 2 2 319.452 3.063 20 30 DGEDLP C#Cc1cccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)c1 ZINC000834903758 629803731 /nfs/dbraw/zinc/80/37/31/629803731.db2.gz RCRPJGOEAIBTTL-LAUBAEHRSA-N 2 2 319.452 3.063 20 30 DGEDLP N#Cc1ccc(F)c(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000073478458 660356007 /nfs/dbraw/zinc/35/60/07/660356007.db2.gz CTXNOXWGSDGURT-UHFFFAOYSA-N 2 2 323.415 3.452 20 30 DGEDLP C#CC[N@@H+](C)CCC[NH2+][C@H](c1ccccc1)c1ccc(OC)cc1 ZINC000328268633 656057319 /nfs/dbraw/zinc/05/73/19/656057319.db2.gz NCHZUCYDWKKKJG-OAQYLSRUSA-N 2 2 322.452 3.329 20 30 DGEDLP C#CC[N@H+](C)CCC[NH2+][C@H](c1ccccc1)c1ccc(OC)cc1 ZINC000328268633 656057321 /nfs/dbraw/zinc/05/73/21/656057321.db2.gz NCHZUCYDWKKKJG-OAQYLSRUSA-N 2 2 322.452 3.329 20 30 DGEDLP C=C(C)C[NH2+]C1CCC(NC(=O)c2c(C)cc(C)[nH+]c2C)CC1 ZINC001026531335 656166386 /nfs/dbraw/zinc/16/63/86/656166386.db2.gz BXZSZECZOOPTSF-UHFFFAOYSA-N 2 2 315.461 3.214 20 30 DGEDLP C#CCOc1ccccc1C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000066876571 656290525 /nfs/dbraw/zinc/29/05/25/656290525.db2.gz RNFFUVOSIWMEDK-UHFFFAOYSA-N 2 2 317.392 3.174 20 30 DGEDLP c1cn2c([nH+]1)C[C@H]([NH+]=C(Nc1ccccc1)N1CCCCC1)CC2 ZINC000262450924 657582092 /nfs/dbraw/zinc/58/20/92/657582092.db2.gz FIGWDZJTLFGNKW-QGZVFWFLSA-N 2 2 323.444 3.152 20 30 DGEDLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3cc(Cl)cc(C#N)c3)CC[C@H]21 ZINC000929848016 661344415 /nfs/dbraw/zinc/34/44/15/661344415.db2.gz OFGBKTRGBJLUBL-DOTOQJQBSA-N 2 2 303.837 3.128 20 30 DGEDLP C[N@H+]1CCC[C@H]2C[NH+](Cc3cc(Cl)cc(C#N)c3)CC[C@H]21 ZINC000929848016 661344418 /nfs/dbraw/zinc/34/44/18/661344418.db2.gz OFGBKTRGBJLUBL-DOTOQJQBSA-N 2 2 303.837 3.128 20 30 DGEDLP C[NH+]1CCC[C@H]2C[N@H+](Cc3cc(Cl)cc(C#N)c3)CC[C@H]21 ZINC000929848016 661344420 /nfs/dbraw/zinc/34/44/20/661344420.db2.gz OFGBKTRGBJLUBL-DOTOQJQBSA-N 2 2 303.837 3.128 20 30 DGEDLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3cc(Cl)cc(C#N)c3)CC[C@H]21 ZINC000929848016 661344422 /nfs/dbraw/zinc/34/44/22/661344422.db2.gz OFGBKTRGBJLUBL-DOTOQJQBSA-N 2 2 303.837 3.128 20 30 DGEDLP C#CCOc1ccccc1C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000092066774 662327091 /nfs/dbraw/zinc/32/70/91/662327091.db2.gz WQSXFSJKKCYLHN-YLJYHZDGSA-N 2 2 324.468 3.147 20 30 DGEDLP C#CCOc1ccccc1C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000092066774 662327096 /nfs/dbraw/zinc/32/70/96/662327096.db2.gz WQSXFSJKKCYLHN-YLJYHZDGSA-N 2 2 324.468 3.147 20 30 DGEDLP C#CCOc1ccccc1C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000092066774 662327099 /nfs/dbraw/zinc/32/70/99/662327099.db2.gz WQSXFSJKKCYLHN-YLJYHZDGSA-N 2 2 324.468 3.147 20 30 DGEDLP C#CCOc1ccccc1C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000092066774 662327101 /nfs/dbraw/zinc/32/71/01/662327101.db2.gz WQSXFSJKKCYLHN-YLJYHZDGSA-N 2 2 324.468 3.147 20 30 DGEDLP C[C@@H]1CCCC[C@]1(C[NH3+])[NH2+]Cc1ccc(C#N)cc1OC(F)F ZINC001576690564 1191863716 /nfs/dbraw/zinc/86/37/16/1191863716.db2.gz KUJCVSPIROAQEE-SJKOYZFVSA-N 2 2 323.387 3.157 20 30 DGEDLP C=CCCC[N@@H+](CC)Cc1cccc(C[NH+]2CCOCC2)c1 ZINC001620646679 1192057264 /nfs/dbraw/zinc/05/72/64/1192057264.db2.gz LKXJDWNZUMOPSV-UHFFFAOYSA-N 2 2 302.462 3.307 20 30 DGEDLP C=CCCC[N@H+](CC)Cc1cccc(C[NH+]2CCOCC2)c1 ZINC001620646679 1192057265 /nfs/dbraw/zinc/05/72/65/1192057265.db2.gz LKXJDWNZUMOPSV-UHFFFAOYSA-N 2 2 302.462 3.307 20 30 DGEDLP C=CCC[NH2+]C[C@H]1CC[C@@H](NC(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001332289816 1178412148 /nfs/dbraw/zinc/41/21/48/1178412148.db2.gz BHXNPRVPLULEKR-DLBZAZTESA-N 2 2 315.461 3.071 20 30 DGEDLP N#Cc1cc(C[NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)cs1 ZINC001461091655 1182766352 /nfs/dbraw/zinc/76/63/52/1182766352.db2.gz CKANQHYMJAXYJZ-UHFFFAOYSA-N 2 2 312.373 3.234 20 30 DGEDLP C[C@@H](C[NH+](C)C)[C@@H]1CCCC[N@@H+]1Cc1ccc(C#N)c(F)c1 ZINC001462461637 1182956177 /nfs/dbraw/zinc/95/61/77/1182956177.db2.gz PPRLMCXVEHLFKV-KSSFIOAISA-N 2 2 303.425 3.250 20 30 DGEDLP C[C@@H](C[NH+](C)C)[C@@H]1CCCC[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC001462461637 1182956181 /nfs/dbraw/zinc/95/61/81/1182956181.db2.gz PPRLMCXVEHLFKV-KSSFIOAISA-N 2 2 303.425 3.250 20 30 DGEDLP C[C@H](C[NH+](C)C)[C@H]1CCCC[N@@H+]1Cc1ccc(C#N)c(F)c1 ZINC001462461640 1182956196 /nfs/dbraw/zinc/95/61/96/1182956196.db2.gz PPRLMCXVEHLFKV-RDTXWAMCSA-N 2 2 303.425 3.250 20 30 DGEDLP C[C@H](C[NH+](C)C)[C@H]1CCCC[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC001462461640 1182956203 /nfs/dbraw/zinc/95/62/03/1182956203.db2.gz PPRLMCXVEHLFKV-RDTXWAMCSA-N 2 2 303.425 3.250 20 30 DGEDLP C=CCCC[NH2+][C@H](CC)CNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001495027268 1184981753 /nfs/dbraw/zinc/98/17/53/1184981753.db2.gz URZONANMCQSZJT-MRXNPFEDSA-N 2 2 303.450 3.071 20 30 DGEDLP C=CCC[NH2+][C@@H](C)[C@H]1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001501058990 1185863591 /nfs/dbraw/zinc/86/35/91/1185863591.db2.gz UQHBUHJGPNBUOV-RDJZCZTQSA-N 2 2 315.461 3.023 20 30 DGEDLP C=C(Cl)C[NH+](C)Cc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001559953343 1189261132 /nfs/dbraw/zinc/26/11/32/1189261132.db2.gz OLRIDQJKBVXBMY-IYBDPMFKSA-N 2 2 322.880 3.480 20 30 DGEDLP C=C(Cl)C[NH+](C)Cc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001559953343 1189261135 /nfs/dbraw/zinc/26/11/35/1189261135.db2.gz OLRIDQJKBVXBMY-IYBDPMFKSA-N 2 2 322.880 3.480 20 30 DGEDLP C=C(Cl)C[N@@H+](C)Cc1ccc(C[NH+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001559953343 1189261140 /nfs/dbraw/zinc/26/11/40/1189261140.db2.gz OLRIDQJKBVXBMY-IYBDPMFKSA-N 2 2 322.880 3.480 20 30 DGEDLP C=C(Cl)C[N@H+](C)Cc1ccc(C[NH+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001559953343 1189261143 /nfs/dbraw/zinc/26/11/43/1189261143.db2.gz OLRIDQJKBVXBMY-IYBDPMFKSA-N 2 2 322.880 3.480 20 30 DGEDLP C=C(C)CC[NH2+][C@H]1CN(C(=O)c2c(C)cc(C)[nH+]c2C)C[C@H]1C ZINC001570349379 1190842240 /nfs/dbraw/zinc/84/22/40/1190842240.db2.gz PCUFBMSJUQDOEO-PBHICJAKSA-N 2 2 315.461 3.023 20 30 DGEDLP C#CCOc1cccc(Cl)c1C[NH2+]C[C@@H](C)C[NH+]1CCCC1 ZINC001656820125 1196073833 /nfs/dbraw/zinc/07/38/33/1196073833.db2.gz NNBAWVKLFRGRFQ-OAHLLOKOSA-N 2 2 320.864 3.174 20 30 DGEDLP C=CCOCCC[NH2+][C@@H]1CC[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001659674860 1196405472 /nfs/dbraw/zinc/40/54/72/1196405472.db2.gz XOVJNWMOFYCKAE-IEBWSBKVSA-N 2 2 302.462 3.222 20 30 DGEDLP C=CCOCCC[NH2+][C@@H]1CC[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC001659674860 1196405474 /nfs/dbraw/zinc/40/54/74/1196405474.db2.gz XOVJNWMOFYCKAE-IEBWSBKVSA-N 2 2 302.462 3.222 20 30 DGEDLP C=CCC[C@H](C)[NH2+]C[C@H](C)CNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001714415878 1202919669 /nfs/dbraw/zinc/91/96/69/1202919669.db2.gz MLIYRQSVMALVML-ZFWWWQNUSA-N 2 2 317.477 3.317 20 30 DGEDLP Cc1[nH+]cn(C2CCC(C#N)(c3ccccc3)CC2)c1CC[NH3+] ZINC001170359434 1082351752 /nfs/dbraw/zinc/35/17/52/1082351752.db2.gz XGHHCFZKNKESHA-UHFFFAOYSA-N 2 2 308.429 3.269 20 30 DGEDLP C[N@@H+]1CCC[C@@H]2C[NH+](C3CCC(C#N)(c4ccccc4)CC3)C[C@@H]21 ZINC001170398448 1082361033 /nfs/dbraw/zinc/36/10/33/1082361033.db2.gz PYKDZFCRAJATOY-PPXMBRMGSA-N 2 2 323.484 3.417 20 30 DGEDLP C[N@H+]1CCC[C@@H]2C[NH+](C3CCC(C#N)(c4ccccc4)CC3)C[C@@H]21 ZINC001170398448 1082361036 /nfs/dbraw/zinc/36/10/36/1082361036.db2.gz PYKDZFCRAJATOY-PPXMBRMGSA-N 2 2 323.484 3.417 20 30 DGEDLP C[NH+]1CCC[C@@H]2C[N@@H+](C3CCC(C#N)(c4ccccc4)CC3)C[C@@H]21 ZINC001170398448 1082361042 /nfs/dbraw/zinc/36/10/42/1082361042.db2.gz PYKDZFCRAJATOY-PPXMBRMGSA-N 2 2 323.484 3.417 20 30 DGEDLP C[NH+]1CCC[C@@H]2C[N@H+](C3CCC(C#N)(c4ccccc4)CC3)C[C@@H]21 ZINC001170398448 1082361049 /nfs/dbraw/zinc/36/10/49/1082361049.db2.gz PYKDZFCRAJATOY-PPXMBRMGSA-N 2 2 323.484 3.417 20 30 DGEDLP C=CCC[N@H+](CCC)CCNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001267315379 1082783100 /nfs/dbraw/zinc/78/31/00/1082783100.db2.gz WIRVACIJEHGOOF-UHFFFAOYSA-N 2 2 303.450 3.025 20 30 DGEDLP C=CCC[N@@H+](CCC)CCNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001267315379 1082783108 /nfs/dbraw/zinc/78/31/08/1082783108.db2.gz WIRVACIJEHGOOF-UHFFFAOYSA-N 2 2 303.450 3.025 20 30 DGEDLP C=C(C)CC[N@@H+](CC)[C@H](C)CNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001154404009 1088598397 /nfs/dbraw/zinc/59/83/97/1088598397.db2.gz RSJHQNRSRNDVNY-MRXNPFEDSA-N 2 2 317.477 3.413 20 30 DGEDLP C=C(C)CC[N@H+](CC)[C@H](C)CNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001154404009 1088598418 /nfs/dbraw/zinc/59/84/18/1088598418.db2.gz RSJHQNRSRNDVNY-MRXNPFEDSA-N 2 2 317.477 3.413 20 30 DGEDLP C[N@H+](Cc1ccc(Br)c(C#N)c1)[C@H]1CCCC[C@@H]1[NH3+] ZINC001236213039 1088710368 /nfs/dbraw/zinc/71/03/68/1088710368.db2.gz AUTWBWYKYPNUQD-GJZGRUSLSA-N 2 2 322.250 3.022 20 30 DGEDLP C[N@@H+](Cc1ccc(Br)c(C#N)c1)[C@H]1CCCC[C@@H]1[NH3+] ZINC001236213039 1088710383 /nfs/dbraw/zinc/71/03/83/1088710383.db2.gz AUTWBWYKYPNUQD-GJZGRUSLSA-N 2 2 322.250 3.022 20 30 DGEDLP Cc1ccc(Nc2ccc(N3CC[NH+](C)CC3)c(C#N)c2)c(C)[nH+]1 ZINC001203374730 1090727965 /nfs/dbraw/zinc/72/79/65/1090727965.db2.gz MWQNXYYVKQTDRD-UHFFFAOYSA-N 2 2 321.428 3.066 20 30 DGEDLP N#Cc1ccc2c(C[NH+]3CCC(n4cc[nH+]c4)CC3)c[nH]c2c1 ZINC001142922565 1092586688 /nfs/dbraw/zinc/58/66/88/1092586688.db2.gz MLICAZOMCFWRRC-UHFFFAOYSA-N 2 2 305.385 3.073 20 30 DGEDLP N#CC1(c2ccccc2)CC[NH+](CCC[NH+]2CCCCC2)CC1 ZINC001209448460 1092779031 /nfs/dbraw/zinc/77/90/31/1092779031.db2.gz UAJOSHGTWFYHOD-UHFFFAOYSA-N 2 2 311.473 3.420 20 30 DGEDLP CCCCCCC[NH2+][C@H](C)C[C@@H](C)NC(=O)CCn1cc[nH+]c1 ZINC001135138102 1094415238 /nfs/dbraw/zinc/41/52/38/1094415238.db2.gz WOIGPYXWALWMKS-IAGOWNOFSA-N 2 2 322.497 3.117 20 30 DGEDLP C=C(C)C[NH2+][C@@H]1CC[C@H](CNC(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001086763412 1094664242 /nfs/dbraw/zinc/66/42/42/1094664242.db2.gz KFIFWFLYCJFZIF-DLBZAZTESA-N 2 2 315.461 3.071 20 30 DGEDLP CCCCCCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)Cc1[nH]c[nH+]c1C ZINC001136036367 1094807781 /nfs/dbraw/zinc/80/77/81/1094807781.db2.gz VZRSTELDLYBLJW-LSDHHAIUSA-N 2 2 322.497 3.104 20 30 DGEDLP Cc1c[nH+]ccc1O[C@H]1CC[N@@H+]([C@H](C)Cc2cccc(C#N)c2)C1 ZINC001171231404 1095865029 /nfs/dbraw/zinc/86/50/29/1095865029.db2.gz JDZIJDNYGQSBCI-APWZRJJASA-N 2 2 321.424 3.346 20 30 DGEDLP Cc1c[nH+]ccc1O[C@H]1CC[N@H+]([C@H](C)Cc2cccc(C#N)c2)C1 ZINC001171231404 1095865045 /nfs/dbraw/zinc/86/50/45/1095865045.db2.gz JDZIJDNYGQSBCI-APWZRJJASA-N 2 2 321.424 3.346 20 30 DGEDLP C[C@@H](Cc1ccc(C#N)cc1)N(c1cccc[nH+]1)C1CC[NH2+]CC1 ZINC001172313460 1097097825 /nfs/dbraw/zinc/09/78/25/1097097825.db2.gz XEJAFEDZMXVAOZ-INIZCTEOSA-N 2 2 320.440 3.143 20 30 DGEDLP C[C@@H](Cc1ccc(C#N)cc1)[NH2+]CC1C[NH+](Cc2ccccc2)C1 ZINC001172294330 1097108137 /nfs/dbraw/zinc/10/81/37/1097108137.db2.gz IDXBAQLNMQFHAT-KRWDZBQOSA-N 2 2 319.452 3.211 20 30 DGEDLP C[C@H](Cc1ccc(C#N)cc1)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001172296112 1097108635 /nfs/dbraw/zinc/10/86/35/1097108635.db2.gz WRCROUDYKUVCNI-MRXNPFEDSA-N 2 2 316.408 3.465 20 30 DGEDLP CC(C)[N@H+](C)Cc1cnc2n1CC[NH+]([C@H](C)CCCC#N)[C@@H]2C ZINC001172495694 1097170221 /nfs/dbraw/zinc/17/02/21/1097170221.db2.gz TTYXMAYEFMCVEH-HZPDHXFCSA-N 2 2 317.481 3.182 20 30 DGEDLP CC(C)[N@@H+](C)Cc1cnc2n1CC[NH+]([C@H](C)CCCC#N)[C@@H]2C ZINC001172495694 1097170223 /nfs/dbraw/zinc/17/02/23/1097170223.db2.gz TTYXMAYEFMCVEH-HZPDHXFCSA-N 2 2 317.481 3.182 20 30 DGEDLP CC(C)[NH+](C)Cc1cnc2n1CC[N@H+]([C@H](C)CCCC#N)[C@@H]2C ZINC001172495694 1097170227 /nfs/dbraw/zinc/17/02/27/1097170227.db2.gz TTYXMAYEFMCVEH-HZPDHXFCSA-N 2 2 317.481 3.182 20 30 DGEDLP CC(C)[NH+](C)Cc1cnc2n1CC[N@@H+]([C@H](C)CCCC#N)[C@@H]2C ZINC001172495694 1097170230 /nfs/dbraw/zinc/17/02/30/1097170230.db2.gz TTYXMAYEFMCVEH-HZPDHXFCSA-N 2 2 317.481 3.182 20 30 DGEDLP CC1(C#N)CCC([NH2+]CC2CCN(c3cccc[nH+]3)CC2)CC1 ZINC001173588154 1097465617 /nfs/dbraw/zinc/46/56/17/1097465617.db2.gz ASFYXVFYGCJVFV-UHFFFAOYSA-N 2 2 312.461 3.360 20 30 DGEDLP C=CCCC[NH2+]CCCC[C@H](C)NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001175503663 1098073810 /nfs/dbraw/zinc/07/38/10/1098073810.db2.gz SHRFSQSRKYRESU-DLBZAZTESA-N 2 2 320.481 3.065 20 30 DGEDLP C=C[C@H](C)[NH2+]Cc1ccc(OCCn2cc[nH+]c2)c(Cl)c1 ZINC001178166128 1098728904 /nfs/dbraw/zinc/72/89/04/1098728904.db2.gz XSZVQDZVKXKRFS-ZDUSSCGKSA-N 2 2 305.809 3.280 20 30 DGEDLP N#CCC[NH2+][C@@]12CC[C@@]([NH2+]CCCC(F)(F)F)(C1)CCC2 ZINC001277936973 1098955470 /nfs/dbraw/zinc/95/54/70/1098955470.db2.gz XGOFRSAXUOXTGG-KGLIPLIRSA-N 2 2 303.372 3.267 20 30 DGEDLP C[NH2+]C1CC[NH+](Cc2ccccc2C#Cc2ccccc2)CC1 ZINC001235789284 1099180504 /nfs/dbraw/zinc/18/05/04/1099180504.db2.gz ONJQKJTWOYJYGJ-UHFFFAOYSA-N 2 2 304.437 3.270 20 30 DGEDLP [NH3+][C@@]12CC[C@H]1C[N@H+](Cc1ccc(C#Cc3ccccc3)cc1)C2 ZINC001235982255 1099308783 /nfs/dbraw/zinc/30/87/83/1099308783.db2.gz UQJWHFDYRCRSOG-LEWJYISDSA-N 2 2 302.421 3.010 20 30 DGEDLP [NH3+][C@@]12CC[C@H]1C[N@@H+](Cc1ccc(C#Cc3ccccc3)cc1)C2 ZINC001235982255 1099308797 /nfs/dbraw/zinc/30/87/97/1099308797.db2.gz UQJWHFDYRCRSOG-LEWJYISDSA-N 2 2 302.421 3.010 20 30 DGEDLP CN(C)/C=[NH+]/c1ccc(-c2cccc3c2CC[NH2+]C3)cc1C#N ZINC001236352666 1099549620 /nfs/dbraw/zinc/54/96/20/1099549620.db2.gz HHAUYHPYGBQUNI-LPYMAVHISA-N 2 2 304.397 3.092 20 30 DGEDLP N#Cc1cccc(C[NH+]2CCC3(CC2)[NH2+]CCc2ccccc23)c1 ZINC001237275819 1100057571 /nfs/dbraw/zinc/05/75/71/1100057571.db2.gz QQRZNIKCEHKMOB-UHFFFAOYSA-N 2 2 317.436 3.195 20 30 DGEDLP N#Cc1ccc(-c2ccc(C[N@H+]3CC[C@@H]([NH3+])C3)cc2)c(Cl)c1 ZINC001244329784 1103365660 /nfs/dbraw/zinc/36/56/60/1103365660.db2.gz YXOQQRMEMZKOGN-MRXNPFEDSA-N 2 2 311.816 3.412 20 30 DGEDLP N#Cc1ccc(-c2ccc(C[N@@H+]3CC[C@@H]([NH3+])C3)cc2)c(Cl)c1 ZINC001244329784 1103365673 /nfs/dbraw/zinc/36/56/73/1103365673.db2.gz YXOQQRMEMZKOGN-MRXNPFEDSA-N 2 2 311.816 3.412 20 30 DGEDLP C=CCCC[N@@H+]1CCC[C@@]2(CCC[NH+](Cc3cn[nH]c3)C2)C1 ZINC001274961781 1104556946 /nfs/dbraw/zinc/55/69/46/1104556946.db2.gz ANWDEKGGRQWMGT-GOSISDBHSA-N 2 2 302.466 3.054 20 30 DGEDLP C=CCCC[N@H+]1CCC[C@@]2(CCC[NH+](Cc3cn[nH]c3)C2)C1 ZINC001274961781 1104556957 /nfs/dbraw/zinc/55/69/57/1104556957.db2.gz ANWDEKGGRQWMGT-GOSISDBHSA-N 2 2 302.466 3.054 20 30 DGEDLP C=CCCC[NH+]1CCC[C@@]2(CCC[N@H+](Cc3cn[nH]c3)C2)C1 ZINC001274961781 1104556964 /nfs/dbraw/zinc/55/69/64/1104556964.db2.gz ANWDEKGGRQWMGT-GOSISDBHSA-N 2 2 302.466 3.054 20 30 DGEDLP C=CCCC[NH+]1CCC[C@@]2(CCC[N@@H+](Cc3cn[nH]c3)C2)C1 ZINC001274961781 1104556972 /nfs/dbraw/zinc/55/69/72/1104556972.db2.gz ANWDEKGGRQWMGT-GOSISDBHSA-N 2 2 302.466 3.054 20 30 DGEDLP C=CCC[C@@H](O)C[NH2+]C1CC[NH+](Cc2cc(C)cc(F)c2)CC1 ZINC001252620687 1105807055 /nfs/dbraw/zinc/80/70/55/1105807055.db2.gz YFKMBWDKOGJEHQ-LJQANCHMSA-N 2 2 320.452 3.015 20 30 DGEDLP C[N@H+](Cc1cccc(F)c1)C1CC[NH+]([C@H]2CC[C@H](C#N)C2)CC1 ZINC001254673964 1106131130 /nfs/dbraw/zinc/13/11/30/1106131130.db2.gz RTOVANSREVLDPP-KXBFYZLASA-N 2 2 315.436 3.414 20 30 DGEDLP C[N@@H+](Cc1cccc(F)c1)C1CC[NH+]([C@H]2CC[C@H](C#N)C2)CC1 ZINC001254673964 1106131131 /nfs/dbraw/zinc/13/11/31/1106131131.db2.gz RTOVANSREVLDPP-KXBFYZLASA-N 2 2 315.436 3.414 20 30 DGEDLP C[NH+]1CCC([N@H+](Cc2ccc(F)cc2)[C@@H]2CC[C@H](C#N)C2)CC1 ZINC001254677183 1106131810 /nfs/dbraw/zinc/13/18/10/1106131810.db2.gz QRLCLAAMWZPHKZ-QFBILLFUSA-N 2 2 315.436 3.414 20 30 DGEDLP C[NH+]1CCC([N@@H+](Cc2ccc(F)cc2)[C@@H]2CC[C@H](C#N)C2)CC1 ZINC001254677183 1106131812 /nfs/dbraw/zinc/13/18/12/1106131812.db2.gz QRLCLAAMWZPHKZ-QFBILLFUSA-N 2 2 315.436 3.414 20 30 DGEDLP C[C@H]1C[C@H]([NH2+]Cc2ccc(C#N)nc2)CC[N@@H+]1Cc1ccccc1 ZINC001256537484 1106438507 /nfs/dbraw/zinc/43/85/07/1106438507.db2.gz OQUFALDRTPFRQS-QFBILLFUSA-N 2 2 320.440 3.096 20 30 DGEDLP C[C@H]1C[C@H]([NH2+]Cc2ccc(C#N)nc2)CC[N@H+]1Cc1ccccc1 ZINC001256537484 1106438510 /nfs/dbraw/zinc/43/85/10/1106438510.db2.gz OQUFALDRTPFRQS-QFBILLFUSA-N 2 2 320.440 3.096 20 30 DGEDLP C=CCC[C@@H](C)[NH+]1CCC2(CC1)CN(c1cccc[nH+]1)CCO2 ZINC001258727318 1106931144 /nfs/dbraw/zinc/93/11/44/1106931144.db2.gz DJZUNIAPPOBZKU-QGZVFWFLSA-N 2 2 315.461 3.108 20 30 DGEDLP C=CCC[C@H](C)[N@H+]1CCc2c(C[NH+](C)C)nn(C(C)C)c2C1 ZINC001258728548 1106934363 /nfs/dbraw/zinc/93/43/63/1106934363.db2.gz OPWNKTOBUPFQDC-HNNXBMFYSA-N 2 2 304.482 3.238 20 30 DGEDLP C=CCC[C@H](C)[N@@H+]1CCc2c(C[NH+](C)C)nn(C(C)C)c2C1 ZINC001258728548 1106934372 /nfs/dbraw/zinc/93/43/72/1106934372.db2.gz OPWNKTOBUPFQDC-HNNXBMFYSA-N 2 2 304.482 3.238 20 30 DGEDLP C=C(C)C[N@H+](CCCNC(=O)c1c(C)cc(C)[nH+]c1C)C1CC1 ZINC001265168662 1108757378 /nfs/dbraw/zinc/75/73/78/1108757378.db2.gz HGBHWFZCNQYQQE-UHFFFAOYSA-N 2 2 315.461 3.167 20 30 DGEDLP C=C(C)C[N@@H+](CCCNC(=O)c1c(C)cc(C)[nH+]c1C)C1CC1 ZINC001265168662 1108757391 /nfs/dbraw/zinc/75/73/91/1108757391.db2.gz HGBHWFZCNQYQQE-UHFFFAOYSA-N 2 2 315.461 3.167 20 30 DGEDLP CC(C)(C)n1c[nH+]cc1[C@@H]1CCC[N@H+](Cc2cc(C#N)ccn2)C1 ZINC001308164580 1111388147 /nfs/dbraw/zinc/38/81/47/1111388147.db2.gz FQZPEOINSGGJCL-MRXNPFEDSA-N 2 2 323.444 3.284 20 30 DGEDLP CC(C)(C)n1c[nH+]cc1[C@@H]1CCC[N@@H+](Cc2cc(C#N)ccn2)C1 ZINC001308164580 1111388149 /nfs/dbraw/zinc/38/81/49/1111388149.db2.gz FQZPEOINSGGJCL-MRXNPFEDSA-N 2 2 323.444 3.284 20 30 DGEDLP CC[C@@H]([NH2+]CCc1cn2ccccc2[nH+]1)c1ccc(C#N)cc1 ZINC000278301214 214076587 /nfs/dbraw/zinc/07/65/87/214076587.db2.gz RZFDUAHCSQTZSI-GOSISDBHSA-N 2 2 304.397 3.489 20 30 DGEDLP C[C@@]1(C[NH2+]Cc2ccc(C#N)o2)CC[N@H+](Cc2ccccc2)C1 ZINC000309691273 231102267 /nfs/dbraw/zinc/10/22/67/231102267.db2.gz CWQGWVPJRLKDAF-IBGZPJMESA-N 2 2 309.413 3.153 20 30 DGEDLP C[C@@]1(C[NH2+]Cc2ccc(C#N)o2)CC[N@@H+](Cc2ccccc2)C1 ZINC000309691273 231102270 /nfs/dbraw/zinc/10/22/70/231102270.db2.gz CWQGWVPJRLKDAF-IBGZPJMESA-N 2 2 309.413 3.153 20 30 DGEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2cnn(-c3ccccc3)c2)CC1 ZINC000106245709 432020567 /nfs/dbraw/zinc/02/05/67/432020567.db2.gz ZXAYFSRIZYEMLQ-UHFFFAOYSA-N 2 2 310.445 3.002 20 30 DGEDLP C[C@H]1C[C@H]([NH2+]Cc2ccc(C#N)o2)CC[N@@H+]1Cc1ccccc1 ZINC000080338459 192150983 /nfs/dbraw/zinc/15/09/83/192150983.db2.gz OUAPDWXUOBGQLG-DOTOQJQBSA-N 2 2 309.413 3.294 20 30 DGEDLP C[C@H]1C[C@H]([NH2+]Cc2ccc(C#N)o2)CC[N@H+]1Cc1ccccc1 ZINC000080338459 192150986 /nfs/dbraw/zinc/15/09/86/192150986.db2.gz OUAPDWXUOBGQLG-DOTOQJQBSA-N 2 2 309.413 3.294 20 30 DGEDLP C=CC[NH+]1CCC([NH2+][C@H](C)c2ccc(OCCOC)cc2)CC1 ZINC000177907368 186201966 /nfs/dbraw/zinc/20/19/66/186201966.db2.gz PVKBZAYIARQNIV-MRXNPFEDSA-N 2 2 318.461 3.013 20 30 DGEDLP Fc1ccc(C#CC[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)cc1 ZINC000131272861 432034310 /nfs/dbraw/zinc/03/43/10/432034310.db2.gz CSNKPNTTZFLDSI-IBGZPJMESA-N 2 2 300.421 3.128 20 30 DGEDLP Fc1ccc(C#CC[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)cc1 ZINC000131272861 432034312 /nfs/dbraw/zinc/03/43/12/432034312.db2.gz CSNKPNTTZFLDSI-IBGZPJMESA-N 2 2 300.421 3.128 20 30 DGEDLP Cc1cc[nH+]c(N2CC[NH+]([C@@H](C)c3ccc(C#N)cc3)CC2)c1 ZINC000166136725 432059140 /nfs/dbraw/zinc/05/91/40/432059140.db2.gz MSHNBKKXADXCCF-INIZCTEOSA-N 2 2 306.413 3.145 20 30 DGEDLP CC[N@@H+]1CC[C@@H]([NH2+]CC#Cc2ccc(C(F)(F)F)cc2)[C@@H](C)C1 ZINC000246329640 432120436 /nfs/dbraw/zinc/12/04/36/432120436.db2.gz FYCCOCZILLHFTM-WMLDXEAASA-N 2 2 324.390 3.377 20 30 DGEDLP CC[N@H+]1CC[C@@H]([NH2+]CC#Cc2ccc(C(F)(F)F)cc2)[C@@H](C)C1 ZINC000246329640 432120439 /nfs/dbraw/zinc/12/04/39/432120439.db2.gz FYCCOCZILLHFTM-WMLDXEAASA-N 2 2 324.390 3.377 20 30 DGEDLP N#Cc1ccc(C[NH2+]Cc2ccccc2Cn2cc[nH+]c2)c(F)c1 ZINC000343155497 254107885 /nfs/dbraw/zinc/10/78/85/254107885.db2.gz URFLIDUTFSBKLN-UHFFFAOYSA-N 2 2 320.371 3.232 20 30 DGEDLP C#CC[C@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)c1ccccc1 ZINC000271571797 209023957 /nfs/dbraw/zinc/02/39/57/209023957.db2.gz VWEVAYBHYBINKU-IBGZPJMESA-N 2 2 305.425 3.405 20 30 DGEDLP C[C@@H]1C[C@@H]([NH2+]Cc2cccc(C#N)c2)C[N@@H+]1Cc1ccccc1 ZINC000151320666 533652005 /nfs/dbraw/zinc/65/20/05/533652005.db2.gz WSONVNCTUQMXRP-OXQOHEQNSA-N 2 2 305.425 3.311 20 30 DGEDLP C[C@@H]1C[C@@H]([NH2+]Cc2cccc(C#N)c2)C[N@H+]1Cc1ccccc1 ZINC000151320666 533652011 /nfs/dbraw/zinc/65/20/11/533652011.db2.gz WSONVNCTUQMXRP-OXQOHEQNSA-N 2 2 305.425 3.311 20 30 DGEDLP C[C@H](C#N)Oc1ccc(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000092072166 400152582 /nfs/dbraw/zinc/15/25/82/400152582.db2.gz QRGVKPKXUNOZAO-ZBFHGGJFSA-N 2 2 310.401 3.080 20 30 DGEDLP C[C@H](C#N)Oc1ccc(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000092072166 400152586 /nfs/dbraw/zinc/15/25/86/400152586.db2.gz QRGVKPKXUNOZAO-ZBFHGGJFSA-N 2 2 310.401 3.080 20 30 DGEDLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C[NH2+]Cc1ccc(C#N)o1 ZINC000601137334 400245366 /nfs/dbraw/zinc/24/53/66/400245366.db2.gz BFSRCFYTRPJDJZ-WBVHZDCISA-N 2 2 309.413 3.009 20 30 DGEDLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C[NH2+]Cc1ccc(C#N)o1 ZINC000601137334 400245371 /nfs/dbraw/zinc/24/53/71/400245371.db2.gz BFSRCFYTRPJDJZ-WBVHZDCISA-N 2 2 309.413 3.009 20 30 DGEDLP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C[NH2+]Cc1ccc(C#N)o1 ZINC000601137333 400245866 /nfs/dbraw/zinc/24/58/66/400245866.db2.gz BFSRCFYTRPJDJZ-RDJZCZTQSA-N 2 2 309.413 3.009 20 30 DGEDLP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C[NH2+]Cc1ccc(C#N)o1 ZINC000601137333 400245873 /nfs/dbraw/zinc/24/58/73/400245873.db2.gz BFSRCFYTRPJDJZ-RDJZCZTQSA-N 2 2 309.413 3.009 20 30 DGEDLP N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]CCc1cn2c([nH+]1)CCCC2 ZINC000611390570 400391460 /nfs/dbraw/zinc/39/14/60/400391460.db2.gz IPRRNKCORGWEQA-LJQANCHMSA-N 2 2 320.440 3.301 20 30 DGEDLP N#Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccccc1)CC2 ZINC000596648748 400472079 /nfs/dbraw/zinc/47/20/79/400472079.db2.gz FLAJZVWGWLCBOW-HMXCVIKNSA-N 2 2 317.436 3.281 20 30 DGEDLP N#CC1(c2ccc(C[N@@H+]3CCC[C@@H](n4cc[nH+]c4)C3)cc2)CC1 ZINC000596997224 400537590 /nfs/dbraw/zinc/53/75/90/400537590.db2.gz BBDGDGDTXAHDDQ-GOSISDBHSA-N 2 2 306.413 3.275 20 30 DGEDLP N#CC1(c2ccc(C[N@H+]3CCC[C@@H](n4cc[nH+]c4)C3)cc2)CC1 ZINC000596997224 400537596 /nfs/dbraw/zinc/53/75/96/400537596.db2.gz BBDGDGDTXAHDDQ-GOSISDBHSA-N 2 2 306.413 3.275 20 30 DGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]C3(C4CCC4)CC3)CC2)cc1 ZINC000593682829 400891233 /nfs/dbraw/zinc/89/12/33/400891233.db2.gz ZTUXOCGUZGNPCV-UHFFFAOYSA-N 2 2 309.457 3.445 20 30 DGEDLP N#Cc1cccc(C[NH+]2CCC([NH2+]Cc3ccsc3)CC2)c1 ZINC000593687163 400891440 /nfs/dbraw/zinc/89/14/40/400891440.db2.gz CWUIZRCTRBKJSL-UHFFFAOYSA-N 2 2 311.454 3.374 20 30 DGEDLP Cc1ccc(C[NH2+]C2CC[NH+](Cc3cccc(C#N)c3)CC2)o1 ZINC000593688924 400891840 /nfs/dbraw/zinc/89/18/40/400891840.db2.gz YFKWKKQBUHQKDS-UHFFFAOYSA-N 2 2 309.413 3.214 20 30 DGEDLP C=CCCC[C@@H](C)Nc1[nH+]cnc2c1cnn2-c1cc[nH+]cc1 ZINC000183445001 400901338 /nfs/dbraw/zinc/90/13/38/400901338.db2.gz XIVUZIGJXOYRPW-CYBMUJFWSA-N 2 2 308.389 3.367 20 30 DGEDLP C=C(C)COc1cc(C[NH2+][C@@H](C)Cn2cc[nH+]c2)ccc1OC ZINC000057962664 401040265 /nfs/dbraw/zinc/04/02/65/401040265.db2.gz HLAVEFACZKXCOO-HNNXBMFYSA-N 2 2 315.417 3.025 20 30 DGEDLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+]CCc1ccc(C#N)cc1 ZINC000594955322 401205536 /nfs/dbraw/zinc/20/55/36/401205536.db2.gz NAODXHVMMACDIY-UTKZUKDTSA-N 2 2 319.452 3.211 20 30 DGEDLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+]CCc1ccc(C#N)cc1 ZINC000594955322 401205539 /nfs/dbraw/zinc/20/55/39/401205539.db2.gz NAODXHVMMACDIY-UTKZUKDTSA-N 2 2 319.452 3.211 20 30 DGEDLP CC[C@@H](CSC)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000182110877 432160866 /nfs/dbraw/zinc/16/08/66/432160866.db2.gz JFFSAXSLHRLYHL-KRWDZBQOSA-N 2 2 317.502 3.254 20 30 DGEDLP N#Cc1ccc(F)cc1C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246836971 432169717 /nfs/dbraw/zinc/16/97/17/432169717.db2.gz OMOPXDNLSQNXLH-HNAYVOBHSA-N 2 2 313.420 3.146 20 30 DGEDLP N#Cc1ccc(F)cc1C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246836971 432169721 /nfs/dbraw/zinc/16/97/21/432169721.db2.gz OMOPXDNLSQNXLH-HNAYVOBHSA-N 2 2 313.420 3.146 20 30 DGEDLP N#Cc1ccc(F)cc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246836971 432169723 /nfs/dbraw/zinc/16/97/23/432169723.db2.gz OMOPXDNLSQNXLH-HNAYVOBHSA-N 2 2 313.420 3.146 20 30 DGEDLP N#Cc1ccc(F)cc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246836971 432169727 /nfs/dbraw/zinc/16/97/27/432169727.db2.gz OMOPXDNLSQNXLH-HNAYVOBHSA-N 2 2 313.420 3.146 20 30 DGEDLP Cc1ccc2[nH+]cc(C[NH2+]C3(c4cccc(C#N)c4)CC3)n2c1 ZINC000269636628 432191646 /nfs/dbraw/zinc/19/16/46/432191646.db2.gz WIGBMWBPFWWRIM-UHFFFAOYSA-N 2 2 302.381 3.293 20 30 DGEDLP C[C@H]1C[C@@H]([NH2+]Cc2ccc(C#N)cc2)C[N@@H+]1Cc1ccccc1 ZINC000176624928 228316659 /nfs/dbraw/zinc/31/66/59/228316659.db2.gz NIKXYGDOVDXYMN-OXJNMPFZSA-N 2 2 305.425 3.311 20 30 DGEDLP C[C@H]1C[C@@H]([NH2+]Cc2ccc(C#N)cc2)C[N@H+]1Cc1ccccc1 ZINC000176624928 228316661 /nfs/dbraw/zinc/31/66/61/228316661.db2.gz NIKXYGDOVDXYMN-OXJNMPFZSA-N 2 2 305.425 3.311 20 30 DGEDLP C[C@H]1[C@@H]([NH2+]C2CCC(C#N)(c3ccccc3)CC2)CCC[N@@H+]1C ZINC000346337560 229169526 /nfs/dbraw/zinc/16/95/26/229169526.db2.gz TUCGZEMUOWUACA-VHBXLISGSA-N 2 2 311.473 3.463 20 30 DGEDLP C[C@H]1[C@@H]([NH2+]C2CCC(C#N)(c3ccccc3)CC2)CCC[N@H+]1C ZINC000346337560 229169530 /nfs/dbraw/zinc/16/95/30/229169530.db2.gz TUCGZEMUOWUACA-VHBXLISGSA-N 2 2 311.473 3.463 20 30 DGEDLP N#Cc1ccccc1C[NH+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000348329935 264391495 /nfs/dbraw/zinc/39/14/95/264391495.db2.gz WWZIMZUWRXLAIN-SFTDATJTSA-N 2 2 317.436 3.122 20 30 DGEDLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cn3ccccc3c2C#N)C[C@@H]1C ZINC000354221302 266152858 /nfs/dbraw/zinc/15/28/58/266152858.db2.gz JBIFQEULIJZGLQ-DOTOQJQBSA-N 2 2 310.445 3.116 20 30 DGEDLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cn3ccccc3c2C#N)C[C@@H]1C ZINC000354221302 266152859 /nfs/dbraw/zinc/15/28/59/266152859.db2.gz JBIFQEULIJZGLQ-DOTOQJQBSA-N 2 2 310.445 3.116 20 30 DGEDLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cn3ccccc3c2C#N)C[C@@H]1C ZINC000354221302 266152861 /nfs/dbraw/zinc/15/28/61/266152861.db2.gz JBIFQEULIJZGLQ-DOTOQJQBSA-N 2 2 310.445 3.116 20 30 DGEDLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cn3ccccc3c2C#N)C[C@@H]1C ZINC000354221302 266152862 /nfs/dbraw/zinc/15/28/62/266152862.db2.gz JBIFQEULIJZGLQ-DOTOQJQBSA-N 2 2 310.445 3.116 20 30 DGEDLP N#Cc1ccc(C[NH2+]C[C@@H]2CCC[N@H+]2Cc2ccccc2)cc1F ZINC000404089644 268073796 /nfs/dbraw/zinc/07/37/96/268073796.db2.gz SWDSOBYOHWLJHB-IBGZPJMESA-N 2 2 323.415 3.452 20 30 DGEDLP C[N@H+](Cc1ccccc1)CC(C)(C)[NH2+]CCCSCC#N ZINC000118972374 431629241 /nfs/dbraw/zinc/62/92/41/431629241.db2.gz UMDAQAFQYZLRPT-UHFFFAOYSA-N 2 2 305.491 3.133 20 30 DGEDLP C[N@@H+](Cc1ccccc1)CC(C)(C)[NH2+]CCCSCC#N ZINC000118972374 431629247 /nfs/dbraw/zinc/62/92/47/431629247.db2.gz UMDAQAFQYZLRPT-UHFFFAOYSA-N 2 2 305.491 3.133 20 30 DGEDLP CC[N@@H+]1CC[C@@H]([NH2+]CC#Cc2ccc(C(F)(F)F)cc2)[C@H](C)C1 ZINC000090180585 431890125 /nfs/dbraw/zinc/89/01/25/431890125.db2.gz FYCCOCZILLHFTM-RHSMWYFYSA-N 2 2 324.390 3.377 20 30 DGEDLP CC[N@H+]1CC[C@@H]([NH2+]CC#Cc2ccc(C(F)(F)F)cc2)[C@H](C)C1 ZINC000090180585 431890128 /nfs/dbraw/zinc/89/01/28/431890128.db2.gz FYCCOCZILLHFTM-RHSMWYFYSA-N 2 2 324.390 3.377 20 30 DGEDLP Cc1[nH+]cccc1NC1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000183158808 432263860 /nfs/dbraw/zinc/26/38/60/432263860.db2.gz HZGPXMCTBZAQIS-UHFFFAOYSA-N 2 2 306.413 3.338 20 30 DGEDLP N#C[C@@H]1CCC[C@H]([NH2+]CCc2[nH+]ccn2Cc2ccccc2)C1 ZINC000192647463 432396929 /nfs/dbraw/zinc/39/69/29/432396929.db2.gz MWOYISIPLUUPRW-MSOLQXFVSA-N 2 2 308.429 3.146 20 30 DGEDLP C[C@@H]([NH2+]Cc1ccc(C#N)o1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272134321 432450426 /nfs/dbraw/zinc/45/04/26/432450426.db2.gz AAFSBFNILMDMLX-NVXWUHKLSA-N 2 2 309.413 3.151 20 30 DGEDLP C[C@@H]([NH2+]Cc1ccc(C#N)o1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272134321 432450432 /nfs/dbraw/zinc/45/04/32/432450432.db2.gz AAFSBFNILMDMLX-NVXWUHKLSA-N 2 2 309.413 3.151 20 30 DGEDLP Clc1ccc(C#CC[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000177267042 432605776 /nfs/dbraw/zinc/60/57/76/432605776.db2.gz RWFKHKPBQXOCCT-KRWDZBQOSA-N 2 2 302.849 3.109 20 30 DGEDLP Clc1ccc(C#CC[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000177267042 432605778 /nfs/dbraw/zinc/60/57/78/432605778.db2.gz RWFKHKPBQXOCCT-KRWDZBQOSA-N 2 2 302.849 3.109 20 30 DGEDLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@@H](C)CCC#N ZINC000276307261 432794911 /nfs/dbraw/zinc/79/49/11/432794911.db2.gz LILOVXQHVDFMGK-INIZCTEOSA-N 2 2 300.450 3.312 20 30 DGEDLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@@H](C)CCC#N ZINC000276307261 432794914 /nfs/dbraw/zinc/79/49/14/432794914.db2.gz LILOVXQHVDFMGK-INIZCTEOSA-N 2 2 300.450 3.312 20 30 DGEDLP C=CCOc1ccc(C[N@@H+]2CCC[C@H]([NH+](C)C)CC2)cc1OC ZINC000277606013 432863929 /nfs/dbraw/zinc/86/39/29/432863929.db2.gz WAQAOTWKYPUIDP-KRWDZBQOSA-N 2 2 318.461 3.176 20 30 DGEDLP C=CCOc1ccc(C[N@H+]2CCC[C@H]([NH+](C)C)CC2)cc1OC ZINC000277606013 432863930 /nfs/dbraw/zinc/86/39/30/432863930.db2.gz WAQAOTWKYPUIDP-KRWDZBQOSA-N 2 2 318.461 3.176 20 30 DGEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)c2ccc(Br)nc2)CC1 ZINC000289883091 432979631 /nfs/dbraw/zinc/97/96/31/432979631.db2.gz SSANLEJJVJFCML-LBPRGKRZSA-N 2 2 324.266 3.145 20 30 DGEDLP C=CCC[C@@H](O)C[NH+]1CCC(n2c(C)[nH+]c3ccccc32)CC1 ZINC000280309829 433031458 /nfs/dbraw/zinc/03/14/58/433031458.db2.gz WSQITMCAEMDHTP-QGZVFWFLSA-N 2 2 313.445 3.309 20 30 DGEDLP C#Cc1ccc(C[NH2+]CCCc2[nH+]c3ccccc3n2C)cc1 ZINC000290558355 433098455 /nfs/dbraw/zinc/09/84/55/433098455.db2.gz ZOAVQSIGJKLWRI-UHFFFAOYSA-N 2 2 303.409 3.277 20 30 DGEDLP C[C@@H](C#N)Oc1ccc(C[N@@H+]2CCC[C@@H](c3[nH+]ccn3C)C2)cc1 ZINC000373230959 433139174 /nfs/dbraw/zinc/13/91/74/433139174.db2.gz OIVPAAGSKSUYNN-DOTOQJQBSA-N 2 2 324.428 3.091 20 30 DGEDLP C[C@@H](C#N)Oc1ccc(C[N@H+]2CCC[C@@H](c3[nH+]ccn3C)C2)cc1 ZINC000373230959 433139185 /nfs/dbraw/zinc/13/91/85/433139185.db2.gz OIVPAAGSKSUYNN-DOTOQJQBSA-N 2 2 324.428 3.091 20 30 DGEDLP C#CCC[N@@H+](CCCn1cc[nH+]c1)Cc1ccc(OCC)cc1 ZINC000299220014 433349517 /nfs/dbraw/zinc/34/95/17/433349517.db2.gz JQCLHYGHXNKLJG-UHFFFAOYSA-N 2 2 311.429 3.197 20 30 DGEDLP C#CCC[N@H+](CCCn1cc[nH+]c1)Cc1ccc(OCC)cc1 ZINC000299220014 433349523 /nfs/dbraw/zinc/34/95/23/433349523.db2.gz JQCLHYGHXNKLJG-UHFFFAOYSA-N 2 2 311.429 3.197 20 30 DGEDLP CC[NH+]1CCC([N@H+](C)CC#Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000426369124 433477480 /nfs/dbraw/zinc/47/74/80/433477480.db2.gz DGGNKWBASUYPHM-UHFFFAOYSA-N 2 2 324.390 3.473 20 30 DGEDLP CC[NH+]1CCC([N@@H+](C)CC#Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000426369124 433477490 /nfs/dbraw/zinc/47/74/90/433477490.db2.gz DGGNKWBASUYPHM-UHFFFAOYSA-N 2 2 324.390 3.473 20 30 DGEDLP C[N@@H+]1CCC[C@@]2(CC[NH+](CC#Cc3cccc(Cl)c3)C2)C1 ZINC000293099499 433611985 /nfs/dbraw/zinc/61/19/85/433611985.db2.gz XQWTUEABOVNRQO-GOSISDBHSA-N 2 2 302.849 3.109 20 30 DGEDLP C[N@H+]1CCC[C@@]2(CC[NH+](CC#Cc3cccc(Cl)c3)C2)C1 ZINC000293099499 433611993 /nfs/dbraw/zinc/61/19/93/433611993.db2.gz XQWTUEABOVNRQO-GOSISDBHSA-N 2 2 302.849 3.109 20 30 DGEDLP C[NH+]1CCC[C@@]2(CC[N@H+](CC#Cc3cccc(Cl)c3)C2)C1 ZINC000293099499 433612001 /nfs/dbraw/zinc/61/20/01/433612001.db2.gz XQWTUEABOVNRQO-GOSISDBHSA-N 2 2 302.849 3.109 20 30 DGEDLP C[NH+]1CCC[C@@]2(CC[N@@H+](CC#Cc3cccc(Cl)c3)C2)C1 ZINC000293099499 433612009 /nfs/dbraw/zinc/61/20/09/433612009.db2.gz XQWTUEABOVNRQO-GOSISDBHSA-N 2 2 302.849 3.109 20 30 DGEDLP C[C@H](C#N)Oc1ccc(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000362353639 433659760 /nfs/dbraw/zinc/65/97/60/433659760.db2.gz QRGVKPKXUNOZAO-GDBMZVCRSA-N 2 2 310.401 3.080 20 30 DGEDLP C[C@H](C#N)Oc1ccc(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000362353639 433659766 /nfs/dbraw/zinc/65/97/66/433659766.db2.gz QRGVKPKXUNOZAO-GDBMZVCRSA-N 2 2 310.401 3.080 20 30 DGEDLP COc1cc(C[NH2+]C[C@H]([NH3+])c2ccc(C(C)C)cc2)ccc1C#N ZINC000414826294 433864657 /nfs/dbraw/zinc/86/46/57/433864657.db2.gz FJQNHSCIWBEKCD-IBGZPJMESA-N 2 2 323.440 3.480 20 30 DGEDLP C=C(C)C[N@@H+](CC[C@H]1CCC[NH+]1C)Cc1cnn(C(C)C)c1 ZINC000352905023 434059996 /nfs/dbraw/zinc/05/99/96/434059996.db2.gz XKWZXUOGIIJKNT-GOSISDBHSA-N 2 2 304.482 3.326 20 30 DGEDLP C=C(C)C[N@H+](CC[C@H]1CCC[NH+]1C)Cc1cnn(C(C)C)c1 ZINC000352905023 434060002 /nfs/dbraw/zinc/06/00/02/434060002.db2.gz XKWZXUOGIIJKNT-GOSISDBHSA-N 2 2 304.482 3.326 20 30 DGEDLP C=C(C)C[NH+](CC[C@H]1CCC[N@@H+]1C)Cc1cnn(C(C)C)c1 ZINC000352905023 434060010 /nfs/dbraw/zinc/06/00/10/434060010.db2.gz XKWZXUOGIIJKNT-GOSISDBHSA-N 2 2 304.482 3.326 20 30 DGEDLP C=C(C)C[NH+](CC[C@H]1CCC[N@H+]1C)Cc1cnn(C(C)C)c1 ZINC000352905023 434060018 /nfs/dbraw/zinc/06/00/18/434060018.db2.gz XKWZXUOGIIJKNT-GOSISDBHSA-N 2 2 304.482 3.326 20 30 DGEDLP C=CCC[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@H]2O)CC1)c1ccco1 ZINC000286119551 434169826 /nfs/dbraw/zinc/16/98/26/434169826.db2.gz NONMDYYDOUBSBE-OKZBNKHCSA-N 2 2 318.461 3.254 20 30 DGEDLP Cc1cc[nH+]c(N2CC[NH+]([C@H](C)c3cccc(C#N)c3)CC2)c1 ZINC000347861478 434276065 /nfs/dbraw/zinc/27/60/65/434276065.db2.gz ANRVKAMGXKGNAT-MRXNPFEDSA-N 2 2 306.413 3.145 20 30 DGEDLP C#CCCOc1ccc(C[N@H+]2CCC[C@@H](c3[nH+]ccn3C)C2)cc1 ZINC000365836575 434314162 /nfs/dbraw/zinc/31/41/62/434314162.db2.gz VLMVZDCRGQTNID-GOSISDBHSA-N 2 2 323.440 3.202 20 30 DGEDLP C#CCCOc1ccc(C[N@@H+]2CCC[C@@H](c3[nH+]ccn3C)C2)cc1 ZINC000365836575 434314173 /nfs/dbraw/zinc/31/41/73/434314173.db2.gz VLMVZDCRGQTNID-GOSISDBHSA-N 2 2 323.440 3.202 20 30 DGEDLP COc1cc(C[NH2+]C[C@H](C)[N@H+](C)Cc2ccccc2)ccc1C#N ZINC000390633899 434367009 /nfs/dbraw/zinc/36/70/09/434367009.db2.gz CTEIKXQLHLLMPW-INIZCTEOSA-N 2 2 323.440 3.177 20 30 DGEDLP COc1cc(C[NH2+]C[C@H](C)[N@@H+](C)Cc2ccccc2)ccc1C#N ZINC000390633899 434367016 /nfs/dbraw/zinc/36/70/16/434367016.db2.gz CTEIKXQLHLLMPW-INIZCTEOSA-N 2 2 323.440 3.177 20 30 DGEDLP C[C@@H]([NH2+][C@@H]1C[NH2+]C[C@H]1c1ccccc1)c1ccc(C#N)c(F)c1 ZINC000423498929 434458753 /nfs/dbraw/zinc/45/87/53/434458753.db2.gz BMWDCFXOIWYCHB-XVGQJIODSA-N 2 2 309.388 3.104 20 30 DGEDLP C[C@H]1C[C@H]([NH2+]Cc2ccc(C#N)c(F)c2)C[N@@H+]1Cc1ccccc1 ZINC000403971931 434508645 /nfs/dbraw/zinc/50/86/45/434508645.db2.gz BWJPUROYPMEHRZ-KXBFYZLASA-N 2 2 323.415 3.450 20 30 DGEDLP C[C@H]1C[C@H]([NH2+]Cc2ccc(C#N)c(F)c2)C[N@H+]1Cc1ccccc1 ZINC000403971931 434508649 /nfs/dbraw/zinc/50/86/49/434508649.db2.gz BWJPUROYPMEHRZ-KXBFYZLASA-N 2 2 323.415 3.450 20 30 DGEDLP C[C@H]1CC[N@H+](Cc2ccc(C#N)cc2Cl)C[C@@H]1n1cc[nH+]c1 ZINC000439455754 434607219 /nfs/dbraw/zinc/60/72/19/434607219.db2.gz WCRRCZNTYZCHTC-GUYCJALGSA-N 2 2 314.820 3.491 20 30 DGEDLP C[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2Cl)C[C@@H]1n1cc[nH+]c1 ZINC000439455754 434607224 /nfs/dbraw/zinc/60/72/24/434607224.db2.gz WCRRCZNTYZCHTC-GUYCJALGSA-N 2 2 314.820 3.491 20 30 DGEDLP CC(C)(CC#N)C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000459737046 434688919 /nfs/dbraw/zinc/68/89/19/434688919.db2.gz VOUMWEFFFSTEIW-UHFFFAOYSA-N 2 2 310.445 3.052 20 30 DGEDLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]C[C@@H](C#N)CCC#N ZINC000577503246 435061112 /nfs/dbraw/zinc/06/11/12/435061112.db2.gz OCAUHFKWPXTJCX-BWPNAZKDSA-N 2 2 324.472 3.176 20 30 DGEDLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]C[C@@H](C#N)CCC#N ZINC000577503246 435061116 /nfs/dbraw/zinc/06/11/16/435061116.db2.gz OCAUHFKWPXTJCX-BWPNAZKDSA-N 2 2 324.472 3.176 20 30 DGEDLP C=CC[NH+]1CCC([NH2+]C[C@@H](OC(C)C)c2ccccc2)CC1 ZINC000638524895 435046548 /nfs/dbraw/zinc/04/65/48/435046548.db2.gz UPJODGLIZDXXQE-LJQANCHMSA-N 2 2 302.462 3.393 20 30 DGEDLP CCC1([NH+](C)C)CC[NH+](CC#Cc2ccc(Cl)cc2)CC1 ZINC000640016177 435491405 /nfs/dbraw/zinc/49/14/05/435491405.db2.gz VDZALNZTVZOMSL-UHFFFAOYSA-N 2 2 304.865 3.498 20 30 DGEDLP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](CC#Cc1cccc(Cl)c1)C2 ZINC000660658966 435844129 /nfs/dbraw/zinc/84/41/29/435844129.db2.gz IGHAFHPQIZHMJH-GOSISDBHSA-N 2 2 302.849 3.109 20 30 DGEDLP C[N@H+]1CC[C@@]2(C1)CCC[NH+](CC#Cc1cccc(Cl)c1)C2 ZINC000660658966 435844135 /nfs/dbraw/zinc/84/41/35/435844135.db2.gz IGHAFHPQIZHMJH-GOSISDBHSA-N 2 2 302.849 3.109 20 30 DGEDLP C[NH+]1CC[C@@]2(C1)CCC[N@H+](CC#Cc1cccc(Cl)c1)C2 ZINC000660658966 435844140 /nfs/dbraw/zinc/84/41/40/435844140.db2.gz IGHAFHPQIZHMJH-GOSISDBHSA-N 2 2 302.849 3.109 20 30 DGEDLP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](CC#Cc1cccc(Cl)c1)C2 ZINC000660658966 435844145 /nfs/dbraw/zinc/84/41/45/435844145.db2.gz IGHAFHPQIZHMJH-GOSISDBHSA-N 2 2 302.849 3.109 20 30 DGEDLP C=CC[N@@H+](C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21)C(C)(C)C ZINC000661755343 436179196 /nfs/dbraw/zinc/17/91/96/436179196.db2.gz OXTDDDMBXNTSHL-MRXNPFEDSA-N 2 2 315.461 3.301 20 30 DGEDLP C=CC[N@H+](C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21)C(C)(C)C ZINC000661755343 436179200 /nfs/dbraw/zinc/17/92/00/436179200.db2.gz OXTDDDMBXNTSHL-MRXNPFEDSA-N 2 2 315.461 3.301 20 30 DGEDLP C=CCC1([NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)CCCC1 ZINC000661851476 436210778 /nfs/dbraw/zinc/21/07/78/436210778.db2.gz VOOGLXDRYWFHNH-UHFFFAOYSA-N 2 2 314.473 3.497 20 30 DGEDLP COc1ccc[nH+]c1NC1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000542840397 314102347 /nfs/dbraw/zinc/10/23/47/314102347.db2.gz BFMFEHRDXLMJCZ-UHFFFAOYSA-N 2 2 322.412 3.038 20 30 DGEDLP C=CC[NH+]1CCC([NH2+][C@@H](C[C@@H]2CCOC2)c2ccccc2)CC1 ZINC000339066138 526453445 /nfs/dbraw/zinc/45/34/45/526453445.db2.gz CIJDGKPYNIMIQO-PXNSSMCTSA-N 2 2 314.473 3.394 20 30 DGEDLP C=CC[NH+]1CCC([NH2+][C@@H](Cc2ccccn2)c2cccnc2)CC1 ZINC000338168863 526453700 /nfs/dbraw/zinc/45/37/00/526453700.db2.gz ILPWVUXULKZGKN-FQEVSTJZSA-N 2 2 322.456 3.000 20 30 DGEDLP C=C(C)C[NH+]1CCC(NC(=O)Nc2c(C)cc(C)[nH+]c2C)CC1 ZINC000331231731 526577504 /nfs/dbraw/zinc/57/75/04/526577504.db2.gz IRUQUDUKPIBZMO-UHFFFAOYSA-N 2 2 316.449 3.373 20 30 DGEDLP C=C[C@H]1CCCC[N@@H+]1C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000342121352 527605510 /nfs/dbraw/zinc/60/55/10/527605510.db2.gz DRCKVWZPQVTRIX-PMACEKPBSA-N 2 2 314.473 3.318 20 30 DGEDLP C=C[C@H]1CCCC[N@H+]1C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000342121352 527605514 /nfs/dbraw/zinc/60/55/14/527605514.db2.gz DRCKVWZPQVTRIX-PMACEKPBSA-N 2 2 314.473 3.318 20 30 DGEDLP C=C[C@H]1CCCC[NH+]1C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000342121352 527605518 /nfs/dbraw/zinc/60/55/18/527605518.db2.gz DRCKVWZPQVTRIX-PMACEKPBSA-N 2 2 314.473 3.318 20 30 DGEDLP C=C[C@H]1CCCC[NH+]1C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000342121352 527605520 /nfs/dbraw/zinc/60/55/20/527605520.db2.gz DRCKVWZPQVTRIX-PMACEKPBSA-N 2 2 314.473 3.318 20 30 DGEDLP C=CCC1([NH2+][C@H]2CCC[N@H+](Cc3ccccc3)C2)CCOCC1 ZINC000668552013 547477863 /nfs/dbraw/zinc/47/78/63/547477863.db2.gz BTCLCOWQGZZHRF-IBGZPJMESA-N 2 2 314.473 3.366 20 30 DGEDLP C=CCC1([NH2+][C@H]2CCC[N@@H+](Cc3ccccc3)C2)CCOCC1 ZINC000668552013 547477866 /nfs/dbraw/zinc/47/78/66/547477866.db2.gz BTCLCOWQGZZHRF-IBGZPJMESA-N 2 2 314.473 3.366 20 30 DGEDLP CC[NH+](CC#CC[N@@H+](CC)Cc1ccoc1)Cc1ccoc1 ZINC000671240697 547779442 /nfs/dbraw/zinc/77/94/42/547779442.db2.gz LOKHEIWBUDDSDU-UHFFFAOYSA-N 2 2 300.402 3.220 20 30 DGEDLP CC[NH+](CC#CC[N@H+](CC)Cc1ccoc1)Cc1ccoc1 ZINC000671240697 547779447 /nfs/dbraw/zinc/77/94/47/547779447.db2.gz LOKHEIWBUDDSDU-UHFFFAOYSA-N 2 2 300.402 3.220 20 30 DGEDLP C=C(C)COCC[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000677750217 548550567 /nfs/dbraw/zinc/55/05/67/548550567.db2.gz UXYLMNQOSLSHME-SFHVURJKSA-N 2 2 302.462 3.222 20 30 DGEDLP C=C(C)COCC[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000677750217 548550568 /nfs/dbraw/zinc/55/05/68/548550568.db2.gz UXYLMNQOSLSHME-SFHVURJKSA-N 2 2 302.462 3.222 20 30 DGEDLP CSc1ccc(C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)cc1C#N ZINC000926869627 618359068 /nfs/dbraw/zinc/35/90/68/618359068.db2.gz VUGODZIYYFNHQJ-IAGOWNOFSA-N 2 2 315.486 3.387 20 30 DGEDLP CSc1ccc(C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)cc1C#N ZINC000926869627 618359071 /nfs/dbraw/zinc/35/90/71/618359071.db2.gz VUGODZIYYFNHQJ-IAGOWNOFSA-N 2 2 315.486 3.387 20 30 DGEDLP C=C(CC[NH+](C)C)C(=O)Nc1ccc(-c2[nH]c(C)c(C)[nH+]2)cc1 ZINC000921651955 620927426 /nfs/dbraw/zinc/92/74/26/620927426.db2.gz GERFYEATCWDCAD-UHFFFAOYSA-N 2 2 312.417 3.140 20 30 DGEDLP Cc1[nH+]ccn1-c1ccc(C[NH2+]Cc2ccc(C#N)c(C)c2)cn1 ZINC000767683244 622415097 /nfs/dbraw/zinc/41/50/97/622415097.db2.gz UCQCKHMVEFLXGH-UHFFFAOYSA-N 2 2 317.396 3.046 20 30 DGEDLP C=C(Cl)C[C@@H]([NH3+])C(=O)Nc1cccc(-c2[nH]c(C)c(C)[nH+]2)c1 ZINC000876737159 623692417 /nfs/dbraw/zinc/69/24/17/623692417.db2.gz OYBFJOVINZUHMY-CQSZACIVSA-N 2 2 318.808 3.102 20 30 DGEDLP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)c1nc(-c2ccccc2)cs1 ZINC000815651876 627694490 /nfs/dbraw/zinc/69/44/90/627694490.db2.gz HFHDBYBZYJFOFI-HNNXBMFYSA-N 2 2 313.470 3.416 20 30 DGEDLP C#CC[N@H+](C)CCC[NH2+][C@@H](C)c1nc(-c2ccccc2)cs1 ZINC000815651876 627694493 /nfs/dbraw/zinc/69/44/93/627694493.db2.gz HFHDBYBZYJFOFI-HNNXBMFYSA-N 2 2 313.470 3.416 20 30 DGEDLP CC[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](C(C)C)C1)c1cccc(C#N)c1O ZINC000924960664 627698138 /nfs/dbraw/zinc/69/81/38/627698138.db2.gz QPXBUYJFMWDKSU-MAUKXSAKSA-N 2 2 315.461 3.425 20 30 DGEDLP CC[C@@H]([NH2+]C[C@@H]1CCC[N@H+](C(C)C)C1)c1cccc(C#N)c1O ZINC000924960664 627698139 /nfs/dbraw/zinc/69/81/39/627698139.db2.gz QPXBUYJFMWDKSU-MAUKXSAKSA-N 2 2 315.461 3.425 20 30 DGEDLP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CCc3c2nccc3Cl)CC1 ZINC000924989281 627699484 /nfs/dbraw/zinc/69/94/84/627699484.db2.gz UEBKOKGJRJQWRW-MRXNPFEDSA-N 2 2 305.853 3.352 20 30 DGEDLP C=C(C)C[NH+]1CCC([NH2+]C2CC[NH+](CCC(C)C)CC2)CC1 ZINC000924990224 627699678 /nfs/dbraw/zinc/69/96/78/627699678.db2.gz YHCMMJOTWNMYOM-UHFFFAOYSA-N 3 2 307.526 3.127 20 30 DGEDLP CC[C@@H](C#N)Oc1cccc(C[NH2+][C@@H]2CC[NH2+]C23CCCC3)c1 ZINC000925619896 627763273 /nfs/dbraw/zinc/76/32/73/627763273.db2.gz RULABDGOLUWKEV-FUHWJXTLSA-N 2 2 313.445 3.132 20 30 DGEDLP C=CCc1cc(C[NH2+][C@@H](CC)[C@@H]2CCC[NH2+]2)cc(OC)c1OC ZINC000817908947 627958549 /nfs/dbraw/zinc/95/85/49/627958549.db2.gz KQNLYKNWFPYKJJ-IRXDYDNUSA-N 2 2 318.461 3.053 20 30 DGEDLP C[NH+]1CCN(c2ccc([NH2+]CC(C)(C)CCC#N)cc2)CC1 ZINC000158120288 655773476 /nfs/dbraw/zinc/77/34/76/655773476.db2.gz POMBZDUWWNJVSH-UHFFFAOYSA-N 2 2 300.450 3.180 20 30 DGEDLP Cc1ccc(NC(=[NH2+])NC[C@H](c2ccccc2)[NH+](C)C)cc1C ZINC000303716296 657557907 /nfs/dbraw/zinc/55/79/07/657557907.db2.gz SOUDBFMFBCBRNX-GOSISDBHSA-N 2 2 310.445 3.333 20 30 DGEDLP C#CCCOc1ccc(C[NH+]2CCC([NH2+]C(C)C)CC2)cc1 ZINC000179835380 659942977 /nfs/dbraw/zinc/94/29/77/659942977.db2.gz JHCIPPVMRHTKKZ-UHFFFAOYSA-N 2 2 300.446 3.051 20 30 DGEDLP C=CCC[C@@H](C)[NH2+]C1(CNC(=O)c2c(C)cc(C)[nH+]c2C)CC1 ZINC001670824788 1177207624 /nfs/dbraw/zinc/20/76/24/1177207624.db2.gz OXEAMBNUWFUILU-CQSZACIVSA-N 2 2 315.461 3.214 20 30 DGEDLP CC[C@H]([NH2+]C[C@H]1CCC[N@H+](CC)C1)c1cccc(C#N)c1O ZINC001354203683 1180743170 /nfs/dbraw/zinc/74/31/70/1180743170.db2.gz DOPJGLNCXFKJEH-PBHICJAKSA-N 2 2 301.434 3.036 20 30 DGEDLP CC[C@H]([NH2+]C[C@H]1CCC[N@@H+](CC)C1)c1cccc(C#N)c1O ZINC001354203683 1180743174 /nfs/dbraw/zinc/74/31/74/1180743174.db2.gz DOPJGLNCXFKJEH-PBHICJAKSA-N 2 2 301.434 3.036 20 30 DGEDLP C[N@@H+]1CCCC(C)(C)[C@H]1C[NH2+]C1CC(C#N)(c2ccccc2)C1 ZINC001462199780 1182921762 /nfs/dbraw/zinc/92/17/62/1182921762.db2.gz MGRXTUWYLITHAQ-QPIRBTGLSA-N 2 2 311.473 3.320 20 30 DGEDLP C[N@H+]1CCCC(C)(C)[C@H]1C[NH2+]C1CC(C#N)(c2ccccc2)C1 ZINC001462199780 1182921765 /nfs/dbraw/zinc/92/17/65/1182921765.db2.gz MGRXTUWYLITHAQ-QPIRBTGLSA-N 2 2 311.473 3.320 20 30 DGEDLP CC(C)(C)n1c[nH+]cc1[C@@H]1CCC[N@H+](Cc2cccc(C#N)n2)C1 ZINC001462666399 1182983752 /nfs/dbraw/zinc/98/37/52/1182983752.db2.gz KAJOPQZKPKUUJQ-OAHLLOKOSA-N 2 2 323.444 3.284 20 30 DGEDLP CC(C)(C)n1c[nH+]cc1[C@@H]1CCC[N@@H+](Cc2cccc(C#N)n2)C1 ZINC001462666399 1182983755 /nfs/dbraw/zinc/98/37/55/1182983755.db2.gz KAJOPQZKPKUUJQ-OAHLLOKOSA-N 2 2 323.444 3.284 20 30 DGEDLP C=CCCC[NH2+]C[C@H](C)N(C)C(=O)c1c(C)cc(C)[nH+]c1C ZINC001666957064 1197301194 /nfs/dbraw/zinc/30/11/94/1197301194.db2.gz NIHSCCGBYLQBEZ-HNNXBMFYSA-N 2 2 303.450 3.023 20 30 DGEDLP Cc1ccc(NC(=[NH2+])NC[C@@H](c2cccc(F)c2)[NH+](C)C)cc1 ZINC000104155322 1199517109 /nfs/dbraw/zinc/51/71/09/1199517109.db2.gz HHFFWBSNBSQJOL-KRWDZBQOSA-N 2 2 314.408 3.164 20 30 DGEDLP C=C(C)CC[NH2+][C@@H](CC)CNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001698610192 1201279560 /nfs/dbraw/zinc/27/95/60/1201279560.db2.gz YLFXIEDKJOFQFR-INIZCTEOSA-N 2 2 303.450 3.071 20 30 DGEDLP C=C(C)CC[NH2+][C@@H](CNC(=O)c1c(C)cc(C)[nH+]c1C)C1CC1 ZINC001731402882 1204398670 /nfs/dbraw/zinc/39/86/70/1204398670.db2.gz WDOLJEIKWVKRSQ-KRWDZBQOSA-N 2 2 315.461 3.071 20 30 DGEDLP CC(C)[Si](C#C[NH2+][C@H](C)[C@H]1C[NH2+]CCO1)(C(C)C)C(C)C ZINC001170568422 1082685626 /nfs/dbraw/zinc/68/56/26/1082685626.db2.gz ONCFGSCXBBWTMN-IAGOWNOFSA-N 2 2 310.558 3.132 20 30 DGEDLP CCCCCCC[NH2+][C@H](C)C[C@@H](C)NC(=O)CCc1[nH]cc[nH+]1 ZINC001134227391 1083258232 /nfs/dbraw/zinc/25/82/32/1083258232.db2.gz GKJCVYHONQMVKH-HZPDHXFCSA-N 2 2 322.497 3.186 20 30 DGEDLP C=C(C)CC[NH2+][C@@H](C)C[C@H](C)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001134736323 1083325698 /nfs/dbraw/zinc/32/56/98/1083325698.db2.gz CKCZRYUZIKKALL-KBPBESRZSA-N 2 2 314.433 3.016 20 30 DGEDLP C[C@H](C[NH+](C)C)[C@@H]1CCCC[N@@H+]1Cc1ccc(C#N)cc1F ZINC001183065165 1083870857 /nfs/dbraw/zinc/87/08/57/1083870857.db2.gz HPJHRAHNJIPXOZ-KDOFPFPSSA-N 2 2 303.425 3.250 20 30 DGEDLP C[C@H](C[NH+](C)C)[C@@H]1CCCC[N@H+]1Cc1ccc(C#N)cc1F ZINC001183065165 1083870866 /nfs/dbraw/zinc/87/08/66/1083870866.db2.gz HPJHRAHNJIPXOZ-KDOFPFPSSA-N 2 2 303.425 3.250 20 30 DGEDLP Cc1c[nH+]c2n1CCC21CC[NH+](Cc2ccccc2C#N)CC1 ZINC001204368221 1083880651 /nfs/dbraw/zinc/88/06/51/1083880651.db2.gz VXJLSCUVFSFFOP-UHFFFAOYSA-N 2 2 306.413 3.001 20 30 DGEDLP C[C@@]1([NH3+])CCC[N@H+](Cc2ccc(C#N)cc2Br)CC1 ZINC001205263705 1083912610 /nfs/dbraw/zinc/91/26/10/1083912610.db2.gz BQVZXMKJYQZNOP-OAHLLOKOSA-N 2 2 322.250 3.024 20 30 DGEDLP C[C@@]1([NH3+])CCC[N@@H+](Cc2ccc(C#N)cc2Br)CC1 ZINC001205263705 1083912616 /nfs/dbraw/zinc/91/26/16/1083912616.db2.gz BQVZXMKJYQZNOP-OAHLLOKOSA-N 2 2 322.250 3.024 20 30 DGEDLP C=CCC[C@@H](C)[NH2+][C@@H]1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001184454349 1084188760 /nfs/dbraw/zinc/18/87/60/1084188760.db2.gz VTAKRADMNYZAAM-RHSMWYFYSA-N 2 2 315.461 3.166 20 30 DGEDLP N#CC1(c2cccnc2NC=[NH2+])CC[NH+](Cc2ccccc2)CC1 ZINC001167863984 1084269817 /nfs/dbraw/zinc/26/98/17/1084269817.db2.gz KAHSQRJTBOUQBD-UHFFFAOYSA-N 2 2 319.412 3.158 20 30 DGEDLP C[NH+]1CCC2(CCN(c3[nH+]ccc4ccc(C#N)cc43)CC2)CC1 ZINC001156576551 1089593938 /nfs/dbraw/zinc/59/39/38/1089593938.db2.gz OWKGCDAZJOBERR-UHFFFAOYSA-N 2 2 320.440 3.419 20 30 DGEDLP C=CCN(Cc1ccccc1)c1cccc(N2CC[NH+](C)CC2)[nH+]1 ZINC001165159348 1090473369 /nfs/dbraw/zinc/47/33/69/1090473369.db2.gz KQQVIKWNRKAXCG-UHFFFAOYSA-N 2 2 322.456 3.026 20 30 DGEDLP C[N@H+]1C[C@@H]2C[NH+](Cc3ccc(C#Cc4ccccc4)s3)C[C@@H]2C1 ZINC001141977961 1092374693 /nfs/dbraw/zinc/37/46/93/1092374693.db2.gz UWWFPWGBFSTQTC-HDICACEKSA-N 2 2 322.477 3.141 20 30 DGEDLP C[N@@H+]1C[C@@H]2C[NH+](Cc3ccc(C#Cc4ccccc4)s3)C[C@@H]2C1 ZINC001141977961 1092374698 /nfs/dbraw/zinc/37/46/98/1092374698.db2.gz UWWFPWGBFSTQTC-HDICACEKSA-N 2 2 322.477 3.141 20 30 DGEDLP C[NH+]1C[C@@H]2C[N@@H+](Cc3ccc(C#Cc4ccccc4)s3)C[C@@H]2C1 ZINC001141977961 1092374712 /nfs/dbraw/zinc/37/47/12/1092374712.db2.gz UWWFPWGBFSTQTC-HDICACEKSA-N 2 2 322.477 3.141 20 30 DGEDLP C[NH+]1C[C@@H]2C[N@H+](Cc3ccc(C#Cc4ccccc4)s3)C[C@@H]2C1 ZINC001141977961 1092374717 /nfs/dbraw/zinc/37/47/17/1092374717.db2.gz UWWFPWGBFSTQTC-HDICACEKSA-N 2 2 322.477 3.141 20 30 DGEDLP CC(C)[N@H+](Cc1c[nH]c2cc(C#N)ccc12)C1CC[NH+](C)CC1 ZINC001142930779 1092589857 /nfs/dbraw/zinc/58/98/57/1092589857.db2.gz MPKODVUMUGRCNO-UHFFFAOYSA-N 2 2 310.445 3.344 20 30 DGEDLP CC(C)[N@@H+](Cc1c[nH]c2cc(C#N)ccc12)C1CC[NH+](C)CC1 ZINC001142930779 1092589867 /nfs/dbraw/zinc/58/98/67/1092589867.db2.gz MPKODVUMUGRCNO-UHFFFAOYSA-N 2 2 310.445 3.344 20 30 DGEDLP C[N@H+](CCc1ccc(C#N)cc1)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001208929180 1092589989 /nfs/dbraw/zinc/58/99/89/1092589989.db2.gz NIOHPCXDOOUKBZ-UHFFFAOYSA-N 2 2 316.408 3.418 20 30 DGEDLP C[N@@H+](CCc1ccc(C#N)cc1)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001208929180 1092589998 /nfs/dbraw/zinc/58/99/98/1092589998.db2.gz NIOHPCXDOOUKBZ-UHFFFAOYSA-N 2 2 316.408 3.418 20 30 DGEDLP Cc1cc(C)c(Nc2ccc(N3CC[NH+](C)CC3)c(C#N)c2)c[nH+]1 ZINC001213515736 1093602234 /nfs/dbraw/zinc/60/22/34/1093602234.db2.gz HVCJOYMEOXSLPI-UHFFFAOYSA-N 2 2 321.428 3.066 20 30 DGEDLP N#Cc1ccc(F)c(C[N@@H+]2CCCC[C@@]3(CCCC[NH2+]C3)C2)c1 ZINC001222161951 1095469611 /nfs/dbraw/zinc/46/96/11/1095469611.db2.gz UHAANGAZALXNKI-LJQANCHMSA-N 2 2 315.436 3.443 20 30 DGEDLP N#Cc1ccc(F)c(C[N@H+]2CCCC[C@@]3(CCCC[NH2+]C3)C2)c1 ZINC001222161951 1095469614 /nfs/dbraw/zinc/46/96/14/1095469614.db2.gz UHAANGAZALXNKI-LJQANCHMSA-N 2 2 315.436 3.443 20 30 DGEDLP C=CCOC1CCC([NH2+]CC2C[NH+](Cc3ccccc3)C2)CC1 ZINC001173312279 1097409041 /nfs/dbraw/zinc/40/90/41/1097409041.db2.gz DHFNDBRPCKUDDL-UHFFFAOYSA-N 2 2 314.473 3.222 20 30 DGEDLP C[N@H+](CCc1cccc(C#N)c1)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001175532553 1098085110 /nfs/dbraw/zinc/08/51/10/1098085110.db2.gz QTCCZAFYXGATNZ-UHFFFAOYSA-N 2 2 316.408 3.418 20 30 DGEDLP C[N@@H+](CCc1cccc(C#N)c1)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001175532553 1098085114 /nfs/dbraw/zinc/08/51/14/1098085114.db2.gz QTCCZAFYXGATNZ-UHFFFAOYSA-N 2 2 316.408 3.418 20 30 DGEDLP C=C[C@@H](C)[NH2+]Cc1ccc(OCCn2cc[nH+]c2)c(Cl)c1 ZINC001178166127 1098728961 /nfs/dbraw/zinc/72/89/61/1098728961.db2.gz XSZVQDZVKXKRFS-CYBMUJFWSA-N 2 2 305.809 3.280 20 30 DGEDLP CC(C)C[N@H+](Cc1ccc(Cl)c(C#N)c1)[C@@H]1CCC[NH2+]C1 ZINC001236479554 1099636895 /nfs/dbraw/zinc/63/68/95/1099636895.db2.gz YGFXJAFAFQYRJI-MRXNPFEDSA-N 2 2 305.853 3.422 20 30 DGEDLP CC(C)C[N@@H+](Cc1ccc(Cl)c(C#N)c1)[C@@H]1CCC[NH2+]C1 ZINC001236479554 1099636896 /nfs/dbraw/zinc/63/68/96/1099636896.db2.gz YGFXJAFAFQYRJI-MRXNPFEDSA-N 2 2 305.853 3.422 20 30 DGEDLP C=CCCC[N@@H+](C)[C@@H]1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001191448696 1100460207 /nfs/dbraw/zinc/46/02/07/1100460207.db2.gz ARKZTCRJWRNZTB-QGZVFWFLSA-N 2 2 315.461 3.119 20 30 DGEDLP C=CCCC[N@H+](C)[C@@H]1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001191448696 1100460210 /nfs/dbraw/zinc/46/02/10/1100460210.db2.gz ARKZTCRJWRNZTB-QGZVFWFLSA-N 2 2 315.461 3.119 20 30 DGEDLP CCOC(=[NH2+])c1ccc(-c2cc(C#N)cc(C3C[NH2+]C3)c2)cc1 ZINC001240356856 1100956663 /nfs/dbraw/zinc/95/66/63/1100956663.db2.gz XTGCZIZZOPPVPS-UHFFFAOYSA-N 2 2 305.381 3.274 20 30 DGEDLP N#CC1(c2ccc(-c3ccccc3C[N@H+]3CC[C@H]([NH3+])C3)cc2)CC1 ZINC001243424816 1102715555 /nfs/dbraw/zinc/71/55/55/1102715555.db2.gz UCACRQLYZAOSPE-IBGZPJMESA-N 2 2 317.436 3.442 20 30 DGEDLP N#CC1(c2ccc(-c3ccccc3C[N@@H+]3CC[C@H]([NH3+])C3)cc2)CC1 ZINC001243424816 1102715568 /nfs/dbraw/zinc/71/55/68/1102715568.db2.gz UCACRQLYZAOSPE-IBGZPJMESA-N 2 2 317.436 3.442 20 30 DGEDLP CCCCCCC[N@@H+]1CCCn2c(C[NH+](C)C(C)C)nnc2C1 ZINC001201776305 1102733294 /nfs/dbraw/zinc/73/32/94/1102733294.db2.gz ATTHLIMNIMRMMI-UHFFFAOYSA-N 2 2 321.513 3.294 20 30 DGEDLP CCCCCCC[N@H+]1CCCn2c(C[NH+](C)C(C)C)nnc2C1 ZINC001201776305 1102733307 /nfs/dbraw/zinc/73/33/07/1102733307.db2.gz ATTHLIMNIMRMMI-UHFFFAOYSA-N 2 2 321.513 3.294 20 30 DGEDLP CCCCCCC[NH+]1CCCn2c(C[N@H+](C)C(C)C)nnc2C1 ZINC001201776305 1102733317 /nfs/dbraw/zinc/73/33/17/1102733317.db2.gz ATTHLIMNIMRMMI-UHFFFAOYSA-N 2 2 321.513 3.294 20 30 DGEDLP CCCCCCC[NH+]1CCCn2c(C[N@@H+](C)C(C)C)nnc2C1 ZINC001201776305 1102733328 /nfs/dbraw/zinc/73/33/28/1102733328.db2.gz ATTHLIMNIMRMMI-UHFFFAOYSA-N 2 2 321.513 3.294 20 30 DGEDLP CCc1cc(-c2ccc(C[N@@H+]3CC[C@H]([NH3+])C3)cc2)ccc1C#N ZINC001244954785 1103779474 /nfs/dbraw/zinc/77/94/74/1103779474.db2.gz DLSUAJWYJOLKQX-FQEVSTJZSA-N 2 2 305.425 3.321 20 30 DGEDLP CCc1cc(-c2ccc(C[N@H+]3CC[C@H]([NH3+])C3)cc2)ccc1C#N ZINC001244954785 1103779480 /nfs/dbraw/zinc/77/94/80/1103779480.db2.gz DLSUAJWYJOLKQX-FQEVSTJZSA-N 2 2 305.425 3.321 20 30 DGEDLP C=CCCCCCC[C@@H](O)C[N@@H+]1CCC[C@@]2(CCCC[NH2+]2)C1 ZINC001246020521 1104354325 /nfs/dbraw/zinc/35/43/25/1104354325.db2.gz CKLPLTXALLXMMU-MOPGFXCFSA-N 2 2 308.510 3.482 20 30 DGEDLP C=CCCCCCC[C@@H](O)C[N@H+]1CCC[C@@]2(CCCC[NH2+]2)C1 ZINC001246020521 1104354336 /nfs/dbraw/zinc/35/43/36/1104354336.db2.gz CKLPLTXALLXMMU-MOPGFXCFSA-N 2 2 308.510 3.482 20 30 DGEDLP C=CCC[C@@H](O)C[N@H+](Cc1ccccc1Cl)C1CC[NH2+]CC1 ZINC001246069221 1104364640 /nfs/dbraw/zinc/36/46/40/1104364640.db2.gz MEYMLERBPAPUEP-QGZVFWFLSA-N 2 2 322.880 3.221 20 30 DGEDLP C=CCC[C@@H](O)C[N@@H+](Cc1ccccc1Cl)C1CC[NH2+]CC1 ZINC001246069221 1104364652 /nfs/dbraw/zinc/36/46/52/1104364652.db2.gz MEYMLERBPAPUEP-QGZVFWFLSA-N 2 2 322.880 3.221 20 30 DGEDLP CCCCCCCC[NH+]1CC2(CCN2CCn2cc[nH+]c2)C1 ZINC001275130623 1104640790 /nfs/dbraw/zinc/64/07/90/1104640790.db2.gz CPHVPXZUIIIXDB-UHFFFAOYSA-N 2 2 304.482 3.004 20 30 DGEDLP CC[NH+](CC)CC[NH2+]C1CCC(C#N)(c2ccc(F)cc2)CC1 ZINC001254340780 1106056429 /nfs/dbraw/zinc/05/64/29/1106056429.db2.gz AINVXJUAVIDDSP-UHFFFAOYSA-N 2 2 317.452 3.461 20 30 DGEDLP C[N@H+](Cc1ccc(F)cc1)C1CC[NH+]([C@@H]2CC[C@@H](C#N)C2)CC1 ZINC001254670249 1106129610 /nfs/dbraw/zinc/12/96/10/1106129610.db2.gz ABASVVGXVMJOKG-VQIMIIECSA-N 2 2 315.436 3.414 20 30 DGEDLP C[N@@H+](Cc1ccc(F)cc1)C1CC[NH+]([C@@H]2CC[C@@H](C#N)C2)CC1 ZINC001254670249 1106129614 /nfs/dbraw/zinc/12/96/14/1106129614.db2.gz ABASVVGXVMJOKG-VQIMIIECSA-N 2 2 315.436 3.414 20 30 DGEDLP C[N@H+](Cc1ccc(F)cc1)C1CC[NH+]([C@H]2CC[C@H](C#N)C2)CC1 ZINC001254670242 1106129720 /nfs/dbraw/zinc/12/97/20/1106129720.db2.gz ABASVVGXVMJOKG-LPHOPBHVSA-N 2 2 315.436 3.414 20 30 DGEDLP C[N@@H+](Cc1ccc(F)cc1)C1CC[NH+]([C@H]2CC[C@H](C#N)C2)CC1 ZINC001254670242 1106129725 /nfs/dbraw/zinc/12/97/25/1106129725.db2.gz ABASVVGXVMJOKG-LPHOPBHVSA-N 2 2 315.436 3.414 20 30 DGEDLP N#CC1(c2ccccc2)CC[NH+](C2CC[NH+](C3CC3)CC2)CC1 ZINC001256072915 1106365480 /nfs/dbraw/zinc/36/54/80/1106365480.db2.gz IHYXURIRJAYTJS-UHFFFAOYSA-N 2 2 309.457 3.171 20 30 DGEDLP C=C1C[C@@H]2CC([N@H+](CCOC)C3CC[NH+](C)CC3)C[C@H](C1)C2 ZINC001257893049 1106642436 /nfs/dbraw/zinc/64/24/36/1106642436.db2.gz LIHPJXVCJPIVQO-JJTKIYQPSA-N 2 2 306.494 3.164 20 30 DGEDLP C=C1C[C@@H]2CC([N@@H+](CCOC)C3CC[NH+](C)CC3)C[C@H](C1)C2 ZINC001257893049 1106642438 /nfs/dbraw/zinc/64/24/38/1106642438.db2.gz LIHPJXVCJPIVQO-JJTKIYQPSA-N 2 2 306.494 3.164 20 30 DGEDLP C=CCC[C@@H](C)N(c1cccc[nH+]1)[C@@H]1COC2(C1)CC[NH2+]CC2 ZINC001258727053 1106930903 /nfs/dbraw/zinc/93/09/03/1106930903.db2.gz AZXCZWQBFRCEFV-SJORKVTESA-N 2 2 315.461 3.154 20 30 DGEDLP C=CCC[C@H](C)[NH2+]CCN(CC)C(=O)c1c(C)cc(C)[nH+]c1C ZINC001320802732 1107144408 /nfs/dbraw/zinc/14/44/08/1107144408.db2.gz XTRRUZZTVBHWHY-HNNXBMFYSA-N 2 2 317.477 3.413 20 30 DGEDLP C=C(C)CC[NH2+][C@@H](CNC(=O)c1c(C)cc(C)[nH+]c1C)C(C)C ZINC001319927446 1108697951 /nfs/dbraw/zinc/69/79/51/1108697951.db2.gz FWHIGKOBYLRPFA-KRWDZBQOSA-N 2 2 317.477 3.317 20 30 DGEDLP CCc1cccc(NC(=[NH2+])NCCCCNc2cccc[nH+]2)c1 ZINC000104192058 432015694 /nfs/dbraw/zinc/01/56/94/432015694.db2.gz MWBCHOQOIJBQBY-UHFFFAOYSA-N 2 2 311.433 3.263 20 30 DGEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2c(Cl)nc3ccccn32)CC1 ZINC000106245481 432020341 /nfs/dbraw/zinc/02/03/41/432020341.db2.gz YJSPZPIFQMXEFX-UHFFFAOYSA-N 2 2 318.852 3.118 20 30 DGEDLP C=CC[NH+]1CCC([NH2+][C@H](CC)c2ccc3c(c2)CCO3)CC1 ZINC000177907331 186202360 /nfs/dbraw/zinc/20/23/60/186202360.db2.gz LUPXVXLFHBNODV-GOSISDBHSA-N 2 2 300.446 3.313 20 30 DGEDLP C=CC[NH+]1CCC([NH2+][C@H](C)[C@H](C)c2ccc(OC)cc2)CC1 ZINC000177910112 186202942 /nfs/dbraw/zinc/20/29/42/186202942.db2.gz BHIQTLVMIJHNNS-JKSUJKDBSA-N 2 2 302.462 3.427 20 30 DGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]CC3(C4CC4)CC3)CC2)cc1 ZINC000182064184 199380759 /nfs/dbraw/zinc/38/07/59/199380759.db2.gz SJHXHHILGULBSX-UHFFFAOYSA-N 2 2 309.457 3.302 20 30 DGEDLP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+]Cc2cccc(C#N)c2)C1 ZINC000237513752 202267113 /nfs/dbraw/zinc/26/71/13/202267113.db2.gz VXKRFWRFSLWPBB-OXJNMPFZSA-N 2 2 305.425 3.483 20 30 DGEDLP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+]Cc2cccc(C#N)c2)C1 ZINC000237513752 202267115 /nfs/dbraw/zinc/26/71/15/202267115.db2.gz VXKRFWRFSLWPBB-OXJNMPFZSA-N 2 2 305.425 3.483 20 30 DGEDLP N#Cc1csc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c1 ZINC000092066954 193152871 /nfs/dbraw/zinc/15/28/71/193152871.db2.gz ZDHNVVUTPMWOBQ-PBHICJAKSA-N 2 2 301.459 3.068 20 30 DGEDLP N#Cc1csc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c1 ZINC000092066954 193152873 /nfs/dbraw/zinc/15/28/73/193152873.db2.gz ZDHNVVUTPMWOBQ-PBHICJAKSA-N 2 2 301.459 3.068 20 30 DGEDLP N#Cc1csc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000092066954 193152875 /nfs/dbraw/zinc/15/28/75/193152875.db2.gz ZDHNVVUTPMWOBQ-PBHICJAKSA-N 2 2 301.459 3.068 20 30 DGEDLP N#Cc1csc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000092066954 193152877 /nfs/dbraw/zinc/15/28/77/193152877.db2.gz ZDHNVVUTPMWOBQ-PBHICJAKSA-N 2 2 301.459 3.068 20 30 DGEDLP C=CC[NH+](CC=C)[C@H](C[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCC2)C(C)C ZINC000488090593 245144641 /nfs/dbraw/zinc/14/46/41/245144641.db2.gz SOXYGIBRMWDBDS-NCXUSEDFSA-N 2 2 318.505 3.232 20 30 DGEDLP C=CC[NH+]1CCC([NH2+][C@H](CC)c2ccc(OC)c(OC)c2)CC1 ZINC000268892370 207063596 /nfs/dbraw/zinc/06/35/96/207063596.db2.gz PHDSDIFPKSNFIK-QGZVFWFLSA-N 2 2 318.461 3.395 20 30 DGEDLP COc1cc(C#N)ccc1C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000121020338 195281515 /nfs/dbraw/zinc/28/15/15/195281515.db2.gz RURWLOFSGUAYCF-SFHVURJKSA-N 2 2 313.445 3.017 20 30 DGEDLP COc1cc(C#N)ccc1C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000121020338 195281516 /nfs/dbraw/zinc/28/15/16/195281516.db2.gz RURWLOFSGUAYCF-SFHVURJKSA-N 2 2 313.445 3.017 20 30 DGEDLP N#Cc1ccc(CC[NH+]2CCC(Nc3cccc[nH+]3)CC2)cc1 ZINC000595404417 400141629 /nfs/dbraw/zinc/14/16/29/400141629.db2.gz YFPOWEVAFHDACE-UHFFFAOYSA-N 2 2 306.413 3.072 20 30 DGEDLP N#CCCCOc1cccc(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1 ZINC000092072138 400152618 /nfs/dbraw/zinc/15/26/18/400152618.db2.gz IVZRDHGCFVJHLN-QGZVFWFLSA-N 2 2 324.428 3.472 20 30 DGEDLP N#CCCCOc1cccc(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1 ZINC000092072138 400152620 /nfs/dbraw/zinc/15/26/20/400152620.db2.gz IVZRDHGCFVJHLN-QGZVFWFLSA-N 2 2 324.428 3.472 20 30 DGEDLP C#CCCOc1ccc(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000092072890 400154310 /nfs/dbraw/zinc/15/43/10/400154310.db2.gz NMHVYDQFOZLDFP-KRWDZBQOSA-N 2 2 309.413 3.191 20 30 DGEDLP C#CCCOc1ccc(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000092072890 400154314 /nfs/dbraw/zinc/15/43/14/400154314.db2.gz NMHVYDQFOZLDFP-KRWDZBQOSA-N 2 2 309.413 3.191 20 30 DGEDLP C=C(C)COc1cc(C[N@H+](C)CCC[NH+](C)C)ccc1OC ZINC000578099641 400325513 /nfs/dbraw/zinc/32/55/13/400325513.db2.gz DBHJFOUJBNGHAM-UHFFFAOYSA-N 2 2 306.450 3.034 20 30 DGEDLP C=C(C)COc1cc(C[N@@H+](C)CCC[NH+](C)C)ccc1OC ZINC000578099641 400325518 /nfs/dbraw/zinc/32/55/18/400325518.db2.gz DBHJFOUJBNGHAM-UHFFFAOYSA-N 2 2 306.450 3.034 20 30 DGEDLP N#CCC[C@H](C#N)C[NH2+]C[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000581044174 400350341 /nfs/dbraw/zinc/35/03/41/400350341.db2.gz UQELNDWFSMTYLQ-UXHICEINSA-N 2 2 324.472 3.322 20 30 DGEDLP N#CCC[C@H](C#N)C[NH2+]C[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000581044174 400350343 /nfs/dbraw/zinc/35/03/43/400350343.db2.gz UQELNDWFSMTYLQ-UXHICEINSA-N 2 2 324.472 3.322 20 30 DGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@H]3CCC(F)(F)C3)CC2)cc1 ZINC000611475941 400407769 /nfs/dbraw/zinc/40/77/69/400407769.db2.gz WUWXIXNYDBDQPR-KRWDZBQOSA-N 2 2 319.399 3.300 20 30 DGEDLP CC[C@H](C[NH2+]Cc1ccc(C#N)cc1)[N@@H+]1CCc2ccccc2C1 ZINC000048709832 400660178 /nfs/dbraw/zinc/66/01/78/400660178.db2.gz QUMHHYAYXBOKFW-OAQYLSRUSA-N 2 2 319.452 3.485 20 30 DGEDLP CC[C@H](C[NH2+]Cc1ccc(C#N)cc1)[N@H+]1CCc2ccccc2C1 ZINC000048709832 400660180 /nfs/dbraw/zinc/66/01/80/400660180.db2.gz QUMHHYAYXBOKFW-OAQYLSRUSA-N 2 2 319.452 3.485 20 30 DGEDLP N#Cc1cccc(C[NH+]2CCC([NH2+]Cc3ccccc3F)CC2)c1 ZINC000593687554 400891769 /nfs/dbraw/zinc/89/17/69/400891769.db2.gz IKXMZXLDEPPMPC-UHFFFAOYSA-N 2 2 323.415 3.452 20 30 DGEDLP N#CC1(c2ccc(C[NH2+]C[C@H]3CC[N@@H+]3C3CCCC3)cc2)CC1 ZINC000598997404 400924346 /nfs/dbraw/zinc/92/43/46/400924346.db2.gz AANPLABEATXDHF-LJQANCHMSA-N 2 2 309.457 3.348 20 30 DGEDLP N#CC1(c2ccc(C[NH2+]C[C@H]3CC[N@H+]3C3CCCC3)cc2)CC1 ZINC000598997404 400924350 /nfs/dbraw/zinc/92/43/50/400924350.db2.gz AANPLABEATXDHF-LJQANCHMSA-N 2 2 309.457 3.348 20 30 DGEDLP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)Cc1ccncc1C#N ZINC000599661267 401106768 /nfs/dbraw/zinc/10/67/68/401106768.db2.gz RPQWPCHVMAAIFM-UHFFFAOYSA-N 2 2 308.429 3.037 20 30 DGEDLP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)Cc1ccncc1C#N ZINC000599661267 401106770 /nfs/dbraw/zinc/10/67/70/401106770.db2.gz RPQWPCHVMAAIFM-UHFFFAOYSA-N 2 2 308.429 3.037 20 30 DGEDLP Cn1cc(C[NH2+]C[C@H]2CCCC[N@@H+]2Cc2ccccc2)cc1C#N ZINC000190903881 432199985 /nfs/dbraw/zinc/19/99/85/432199985.db2.gz XDJWLDGLLLAYSL-LJQANCHMSA-N 2 2 322.456 3.041 20 30 DGEDLP Cn1cc(C[NH2+]C[C@H]2CCCC[N@H+]2Cc2ccccc2)cc1C#N ZINC000190903881 432199989 /nfs/dbraw/zinc/19/99/89/432199989.db2.gz XDJWLDGLLLAYSL-LJQANCHMSA-N 2 2 322.456 3.041 20 30 DGEDLP C[C@H]([NH2+]C(C)(C)C[NH2+]Cc1cc(C#N)n(C)c1)c1ccccc1 ZINC000191046410 432213939 /nfs/dbraw/zinc/21/39/39/432213939.db2.gz LUYSAUWRMKCDSP-HNNXBMFYSA-N 2 2 310.445 3.116 20 30 DGEDLP C[C@H]1C[C@@H]([NH2+]Cc2cccc(C#N)c2)C[N@@H+]1Cc1ccccc1 ZINC000151320724 227060142 /nfs/dbraw/zinc/06/01/42/227060142.db2.gz WSONVNCTUQMXRP-OXJNMPFZSA-N 2 2 305.425 3.311 20 30 DGEDLP C[C@H]1C[C@@H]([NH2+]Cc2cccc(C#N)c2)C[N@H+]1Cc1ccccc1 ZINC000151320724 227060145 /nfs/dbraw/zinc/06/01/45/227060145.db2.gz WSONVNCTUQMXRP-OXJNMPFZSA-N 2 2 305.425 3.311 20 30 DGEDLP Cc1cc[nH+]c(N2CC[NH+](CCCCC(C)(C)C#N)CC2)c1 ZINC000336866510 229041743 /nfs/dbraw/zinc/04/17/43/229041743.db2.gz XRNOUKIJKMCLLM-UHFFFAOYSA-N 2 2 300.450 3.232 20 30 DGEDLP C[C@H]1[C@@H]([NH2+]Cc2ccc(C#N)c(F)c2)CC[N@@H+]1Cc1ccccc1 ZINC000404042971 267251019 /nfs/dbraw/zinc/25/10/19/267251019.db2.gz ICOUZMRAMFBPRN-YWZLYKJASA-N 2 2 323.415 3.450 20 30 DGEDLP C[C@H]1[C@@H]([NH2+]Cc2ccc(C#N)c(F)c2)CC[N@H+]1Cc1ccccc1 ZINC000404042971 267251022 /nfs/dbraw/zinc/25/10/22/267251022.db2.gz ICOUZMRAMFBPRN-YWZLYKJASA-N 2 2 323.415 3.450 20 30 DGEDLP N#Cc1cc(C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)ccc1F ZINC000121374172 431778747 /nfs/dbraw/zinc/77/87/47/431778747.db2.gz DVDLMFLEPUNJOZ-QGZVFWFLSA-N 2 2 301.409 3.148 20 30 DGEDLP N#Cc1cc(C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)ccc1F ZINC000121374172 431778752 /nfs/dbraw/zinc/77/87/52/431778752.db2.gz DVDLMFLEPUNJOZ-QGZVFWFLSA-N 2 2 301.409 3.148 20 30 DGEDLP N#Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)cc1F ZINC000192042730 432327856 /nfs/dbraw/zinc/32/78/56/432327856.db2.gz HJFCYWFAOIUTHP-INIZCTEOSA-N 2 2 301.409 3.005 20 30 DGEDLP N#Cc1ccc(C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)cc1F ZINC000192042730 432327858 /nfs/dbraw/zinc/32/78/58/432327858.db2.gz HJFCYWFAOIUTHP-INIZCTEOSA-N 2 2 301.409 3.005 20 30 DGEDLP CN(CCC#N)c1ccc(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000271137321 432333916 /nfs/dbraw/zinc/33/39/16/432333916.db2.gz UOPSWPKUBFYNBH-QGZVFWFLSA-N 2 2 323.444 3.139 20 30 DGEDLP CN(CCC#N)c1ccc(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000271137321 432333918 /nfs/dbraw/zinc/33/39/18/432333918.db2.gz UOPSWPKUBFYNBH-QGZVFWFLSA-N 2 2 323.444 3.139 20 30 DGEDLP N#Cc1ccc(F)c(C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c1 ZINC000266585127 432768001 /nfs/dbraw/zinc/76/80/01/432768001.db2.gz KAYXICFHELNBEM-MRXNPFEDSA-N 2 2 301.409 3.005 20 30 DGEDLP N#Cc1ccc(F)c(C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c1 ZINC000266585127 432768007 /nfs/dbraw/zinc/76/80/07/432768007.db2.gz KAYXICFHELNBEM-MRXNPFEDSA-N 2 2 301.409 3.005 20 30 DGEDLP C[C@@H]1CC[N@H+](CCCOc2cccc(C#N)c2)C[C@H]1n1cc[nH+]c1 ZINC000245573604 432846446 /nfs/dbraw/zinc/84/64/46/432846446.db2.gz HFLMGRFKGLNZEO-VQIMIIECSA-N 2 2 324.428 3.107 20 30 DGEDLP C[C@@H]1CC[N@@H+](CCCOc2cccc(C#N)c2)C[C@H]1n1cc[nH+]c1 ZINC000245573604 432846449 /nfs/dbraw/zinc/84/64/49/432846449.db2.gz HFLMGRFKGLNZEO-VQIMIIECSA-N 2 2 324.428 3.107 20 30 DGEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CCc3c2ccc(OC)c3F)CC1 ZINC000289196164 432931787 /nfs/dbraw/zinc/93/17/87/432931787.db2.gz JGVDIMSKYDZKQG-MRXNPFEDSA-N 2 2 304.409 3.062 20 30 DGEDLP C[NH+]1CCC([N@H+](Cc2ccco2)Cc2ccc(C#N)cc2)CC1 ZINC000290302631 433028788 /nfs/dbraw/zinc/02/87/88/433028788.db2.gz BLCSRABXFNZNAD-UHFFFAOYSA-N 2 2 309.413 3.248 20 30 DGEDLP C[NH+]1CCC([N@@H+](Cc2ccco2)Cc2ccc(C#N)cc2)CC1 ZINC000290302631 433028790 /nfs/dbraw/zinc/02/87/90/433028790.db2.gz BLCSRABXFNZNAD-UHFFFAOYSA-N 2 2 309.413 3.248 20 30 DGEDLP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000280753423 433161898 /nfs/dbraw/zinc/16/18/98/433161898.db2.gz YCHSFMKWSMYOEC-LMCOJAPRSA-N 2 2 314.473 3.220 20 30 DGEDLP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000280753423 433161911 /nfs/dbraw/zinc/16/19/11/433161911.db2.gz YCHSFMKWSMYOEC-LMCOJAPRSA-N 2 2 314.473 3.220 20 30 DGEDLP C#CCOc1ccc([C@@H](C)[NH2+]Cc2c[nH+]c3n2CCCC3)cc1 ZINC000375315978 433427558 /nfs/dbraw/zinc/42/75/58/433427558.db2.gz CNKXYXYDGBQZBA-OAHLLOKOSA-N 2 2 309.413 3.082 20 30 DGEDLP C[C@@H]1C[C@H]([NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)CS1 ZINC000414235386 433474519 /nfs/dbraw/zinc/47/45/19/433474519.db2.gz UJYSHDVFSYXNAG-KDOFPFPSSA-N 2 2 315.486 3.006 20 30 DGEDLP C[N@@H+](CC#Cc1ccc(Cl)cc1)CC[C@H]1CCCC[NH+]1C ZINC000426431295 433497256 /nfs/dbraw/zinc/49/72/56/433497256.db2.gz CYXOPVVLEAOINA-GOSISDBHSA-N 2 2 304.865 3.498 20 30 DGEDLP C[N@H+](CC#Cc1ccc(Cl)cc1)CC[C@H]1CCCC[NH+]1C ZINC000426431295 433497263 /nfs/dbraw/zinc/49/72/63/433497263.db2.gz CYXOPVVLEAOINA-GOSISDBHSA-N 2 2 304.865 3.498 20 30 DGEDLP C[NH+](CC#Cc1ccc(Cl)cc1)CC[C@H]1CCCC[N@@H+]1C ZINC000426431295 433497271 /nfs/dbraw/zinc/49/72/71/433497271.db2.gz CYXOPVVLEAOINA-GOSISDBHSA-N 2 2 304.865 3.498 20 30 DGEDLP C[NH+](CC#Cc1ccc(Cl)cc1)CC[C@H]1CCCC[N@H+]1C ZINC000426431295 433497278 /nfs/dbraw/zinc/49/72/78/433497278.db2.gz CYXOPVVLEAOINA-GOSISDBHSA-N 2 2 304.865 3.498 20 30 DGEDLP C=CCOc1ccc(C[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)cc1Cl ZINC000427130624 433657400 /nfs/dbraw/zinc/65/74/00/433657400.db2.gz KIUFXBDANXENAO-GDBMZVCRSA-N 2 2 306.837 3.089 20 30 DGEDLP C=CCOc1ccc(C[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)cc1Cl ZINC000427130624 433657408 /nfs/dbraw/zinc/65/74/08/433657408.db2.gz KIUFXBDANXENAO-GDBMZVCRSA-N 2 2 306.837 3.089 20 30 DGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@@H]3CCC[C@@H]3F)CC2)cc1 ZINC000339583270 433667041 /nfs/dbraw/zinc/66/70/41/433667041.db2.gz HVWZLKUQJRPAPX-ZWKOTPCHSA-N 2 2 301.409 3.003 20 30 DGEDLP C[N@H+](Cc1ccc(Cl)cc1C#N)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285558961 433992759 /nfs/dbraw/zinc/99/27/59/433992759.db2.gz RLVROINNMQDCEW-SJPCQFCGSA-N 2 2 303.837 3.269 20 30 DGEDLP C[N@@H+](Cc1ccc(Cl)cc1C#N)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285558961 433992767 /nfs/dbraw/zinc/99/27/67/433992767.db2.gz RLVROINNMQDCEW-SJPCQFCGSA-N 2 2 303.837 3.269 20 30 DGEDLP C[NH+](Cc1ccc(Cl)cc1C#N)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000285558961 433992774 /nfs/dbraw/zinc/99/27/74/433992774.db2.gz RLVROINNMQDCEW-SJPCQFCGSA-N 2 2 303.837 3.269 20 30 DGEDLP C[NH+](Cc1ccc(Cl)cc1C#N)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000285558961 433992778 /nfs/dbraw/zinc/99/27/78/433992778.db2.gz RLVROINNMQDCEW-SJPCQFCGSA-N 2 2 303.837 3.269 20 30 DGEDLP CCCCCCCCC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000364206583 434261821 /nfs/dbraw/zinc/26/18/21/434261821.db2.gz KREWAKJDFIXSQP-KRWDZBQOSA-N 2 2 323.525 3.022 20 30 DGEDLP CCCCCCCCC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000364206583 434261827 /nfs/dbraw/zinc/26/18/27/434261827.db2.gz KREWAKJDFIXSQP-KRWDZBQOSA-N 2 2 323.525 3.022 20 30 DGEDLP N#Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c(Cl)c1 ZINC000439435186 434602614 /nfs/dbraw/zinc/60/26/14/434602614.db2.gz DIPCGRQGYCVBIZ-HNNXBMFYSA-N 2 2 303.837 3.129 20 30 DGEDLP N#Cc1ccc(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c(Cl)c1 ZINC000439435186 434602619 /nfs/dbraw/zinc/60/26/19/434602619.db2.gz DIPCGRQGYCVBIZ-HNNXBMFYSA-N 2 2 303.837 3.129 20 30 DGEDLP N#Cc1ccc(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c(Cl)c1 ZINC000439431064 434604051 /nfs/dbraw/zinc/60/40/51/434604051.db2.gz LEIGSFHQXVHKEO-CQSZACIVSA-N 2 2 300.793 3.314 20 30 DGEDLP N#Cc1ccc(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c(Cl)c1 ZINC000439431064 434604055 /nfs/dbraw/zinc/60/40/55/434604055.db2.gz LEIGSFHQXVHKEO-CQSZACIVSA-N 2 2 300.793 3.314 20 30 DGEDLP C[C@@H]1C[C@H]([NH2+]CCc2cccc(C#N)c2)C[N@@H+]1Cc1ccccc1 ZINC000466420442 435076400 /nfs/dbraw/zinc/07/64/00/435076400.db2.gz AZZXIYWEMQCILY-UTKZUKDTSA-N 2 2 319.452 3.353 20 30 DGEDLP C[C@@H]1C[C@H]([NH2+]CCc2cccc(C#N)c2)C[N@H+]1Cc1ccccc1 ZINC000466420442 435076406 /nfs/dbraw/zinc/07/64/06/435076406.db2.gz AZZXIYWEMQCILY-UTKZUKDTSA-N 2 2 319.452 3.353 20 30 DGEDLP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+]CCc1cccc(C#N)c1 ZINC000466425304 435076654 /nfs/dbraw/zinc/07/66/54/435076654.db2.gz MIRBKYXYXYOKTF-UWJYYQICSA-N 2 2 319.452 3.211 20 30 DGEDLP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+]CCc1cccc(C#N)c1 ZINC000466425304 435076657 /nfs/dbraw/zinc/07/66/57/435076657.db2.gz MIRBKYXYXYOKTF-UWJYYQICSA-N 2 2 319.452 3.211 20 30 DGEDLP CC1CC[NH+](Cc2ccccc2C[NH2+]C[C@@H](C#N)CCC#N)CC1 ZINC000558506821 435093783 /nfs/dbraw/zinc/09/37/83/435093783.db2.gz OKZMSFOCRMBARI-GOSISDBHSA-N 2 2 324.472 3.452 20 30 DGEDLP CC[C@H](CC#N)[NH2+]Cc1ccc(F)c(C[NH2+][C@@H](CC)CC#N)c1 ZINC000567121354 435291489 /nfs/dbraw/zinc/29/14/89/435291489.db2.gz CGLLFYPUEKTQMM-SJORKVTESA-N 2 2 316.424 3.389 20 30 DGEDLP N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]Cc1cccc2[nH+]ccn21 ZINC000515460756 435486929 /nfs/dbraw/zinc/48/69/29/435486929.db2.gz FOOXVBFTLBOZGS-GOSISDBHSA-N 2 2 302.381 3.373 20 30 DGEDLP C=CCC[C@@H](Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1)C1CC1 ZINC000540759429 435615460 /nfs/dbraw/zinc/61/54/60/435615460.db2.gz VUYZOFVIIHFEJI-QZTJIDSGSA-N 2 2 314.477 3.379 20 30 DGEDLP C=CCOc1ccc(C[N@@H+]2CC[C@H]([NH3+])[C@H](CC)C2)cc1Cl ZINC000647499128 436068474 /nfs/dbraw/zinc/06/84/74/436068474.db2.gz ZZPDFWPKABDWCS-ZBFHGGJFSA-N 2 2 308.853 3.464 20 30 DGEDLP C=CCOc1ccc(C[N@H+]2CC[C@H]([NH3+])[C@H](CC)C2)cc1Cl ZINC000647499128 436068475 /nfs/dbraw/zinc/06/84/75/436068475.db2.gz ZZPDFWPKABDWCS-ZBFHGGJFSA-N 2 2 308.853 3.464 20 30 DGEDLP C=CCC1([NH2+]Cc2cc(-n3cc[nH+]c3)cs2)CCOCC1 ZINC000657633582 436265572 /nfs/dbraw/zinc/26/55/72/436265572.db2.gz QUSGBVRNXXDFCF-UHFFFAOYSA-N 2 2 303.431 3.149 20 30 DGEDLP C=CCC[C@@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1ccco1 ZINC000658293776 436420606 /nfs/dbraw/zinc/42/06/06/436420606.db2.gz CCVODFURHKIZJQ-IAGOWNOFSA-N 2 2 304.434 3.130 20 30 DGEDLP C=CCCC[C@@H](C)[NH2+]C[C@@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000562990766 333020664 /nfs/dbraw/zinc/02/06/64/333020664.db2.gz FRAKIQBOMBQLKB-IAGOWNOFSA-N 2 2 315.461 3.348 20 30 DGEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)c2cncc(Br)c2)CC1 ZINC000583823693 337337166 /nfs/dbraw/zinc/33/71/66/337337166.db2.gz FBBKYCPRLIDEIC-LBPRGKRZSA-N 2 2 324.266 3.145 20 30 DGEDLP C=CCOc1ccc(C[NH2+]Cc2c[nH+]c3c(C)cccn23)cc1 ZINC000512562028 340366981 /nfs/dbraw/zinc/36/69/81/340366981.db2.gz ONSOSHMLKILTNS-UHFFFAOYSA-N 2 2 307.397 3.497 20 30 DGEDLP C=CC[N@@H+](CCc1ccco1)Cc1ncc(C[NH+](C)C)s1 ZINC000348129335 526326918 /nfs/dbraw/zinc/32/69/18/526326918.db2.gz FEKAOPLEBFQZTI-UHFFFAOYSA-N 2 2 305.447 3.028 20 30 DGEDLP C=CC[N@H+](CCc1ccco1)Cc1ncc(C[NH+](C)C)s1 ZINC000348129335 526326922 /nfs/dbraw/zinc/32/69/22/526326922.db2.gz FEKAOPLEBFQZTI-UHFFFAOYSA-N 2 2 305.447 3.028 20 30 DGEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000183737944 526603539 /nfs/dbraw/zinc/60/35/39/526603539.db2.gz OBJJSEWSFZDMGQ-UHFFFAOYSA-N 2 2 323.824 3.378 20 30 DGEDLP C=CCOCCC[N@H+]1CCC[C@H]1Cn1c(C)[nH+]c2ccccc21 ZINC000348037360 526754414 /nfs/dbraw/zinc/75/44/14/526754414.db2.gz QTJOKFXCWGPDTP-KRWDZBQOSA-N 2 2 313.445 3.402 20 30 DGEDLP C=CCOCCC[N@@H+]1CCC[C@H]1Cn1c(C)[nH+]c2ccccc21 ZINC000348037360 526754416 /nfs/dbraw/zinc/75/44/16/526754416.db2.gz QTJOKFXCWGPDTP-KRWDZBQOSA-N 2 2 313.445 3.402 20 30 DGEDLP C=CCOc1ccc(C[NH2+]C[C@@H]2CCCn3cc(C)[nH+]c32)cc1 ZINC000344513365 526885231 /nfs/dbraw/zinc/88/52/31/526885231.db2.gz LNCPTCWJECZILZ-KRWDZBQOSA-N 2 2 311.429 3.424 20 30 DGEDLP C=CCC[C@@H]([NH2+]C[C@@H]1C[N@H+](CC(C)C)CCO1)c1ccco1 ZINC000353445022 527449355 /nfs/dbraw/zinc/44/93/55/527449355.db2.gz WBISJSPOVPXDDC-IAGOWNOFSA-N 2 2 306.450 3.233 20 30 DGEDLP C=CCC[C@@H]([NH2+]C[C@@H]1C[N@@H+](CC(C)C)CCO1)c1ccco1 ZINC000353445022 527449362 /nfs/dbraw/zinc/44/93/62/527449362.db2.gz WBISJSPOVPXDDC-IAGOWNOFSA-N 2 2 306.450 3.233 20 30 DGEDLP CC(C)[C@H](C[NH2+][C@H]1CC[C@@H](C#N)C1)[N@@H+]1CCc2ccccc2C1 ZINC000442795025 529017810 /nfs/dbraw/zinc/01/78/10/529017810.db2.gz UHGHKNTVBSGPIB-UXPWSPDFSA-N 2 2 311.473 3.351 20 30 DGEDLP CC(C)[C@H](C[NH2+][C@H]1CC[C@@H](C#N)C1)[N@H+]1CCc2ccccc2C1 ZINC000442795025 529017812 /nfs/dbraw/zinc/01/78/12/529017812.db2.gz UHGHKNTVBSGPIB-UXPWSPDFSA-N 2 2 311.473 3.351 20 30 DGEDLP C=CCC1([NH2+][C@@H]2CCC[N@H+](Cc3ccccc3)C2)CCOCC1 ZINC000668552014 547477454 /nfs/dbraw/zinc/47/74/54/547477454.db2.gz BTCLCOWQGZZHRF-LJQANCHMSA-N 2 2 314.473 3.366 20 30 DGEDLP C=CCC1([NH2+][C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CCOCC1 ZINC000668552014 547477456 /nfs/dbraw/zinc/47/74/56/547477456.db2.gz BTCLCOWQGZZHRF-LJQANCHMSA-N 2 2 314.473 3.366 20 30 DGEDLP C#CCOc1ccc(C[NH2+][C@H](Cn2cc[nH+]c2)C(C)(C)C)cc1 ZINC000733324923 574615924 /nfs/dbraw/zinc/61/59/24/574615924.db2.gz LHKDUXMNCSWOPO-GOSISDBHSA-N 2 2 311.429 3.100 20 30 DGEDLP C[NH+](C)Cc1ccc(C(N)=[NH+]OCc2cccc(Cl)c2)cc1 ZINC000747838859 575545740 /nfs/dbraw/zinc/54/57/40/575545740.db2.gz OXPCNHJMQNLXJB-UHFFFAOYSA-N 2 2 317.820 3.239 20 30 DGEDLP C[C@H](C#N)Oc1ccc(C[NH+]2CCC(C)([NH+]3CCC3)CC2)cc1 ZINC000895672005 618816370 /nfs/dbraw/zinc/81/63/70/618816370.db2.gz SSKKUSFGXWEZGL-MRXNPFEDSA-N 2 2 313.445 3.038 20 30 DGEDLP C[C@H]([NH2+]CCC[N@H+](C)C1CCCCC1)c1cc(C#N)ccn1 ZINC000902731316 619667052 /nfs/dbraw/zinc/66/70/52/619667052.db2.gz KGPGQXSTBYOGSO-HNNXBMFYSA-N 2 2 300.450 3.258 20 30 DGEDLP C[C@H]([NH2+]CCC[N@@H+](C)C1CCCCC1)c1cc(C#N)ccn1 ZINC000902731316 619667054 /nfs/dbraw/zinc/66/70/54/619667054.db2.gz KGPGQXSTBYOGSO-HNNXBMFYSA-N 2 2 300.450 3.258 20 30 DGEDLP C[C@H]([NH2+]C1CC[NH+](C2CCCCC2)CC1)c1cc(C#N)ccn1 ZINC000902831956 619681903 /nfs/dbraw/zinc/68/19/03/619681903.db2.gz PWJLLJJSGOIGHS-HNNXBMFYSA-N 2 2 312.461 3.401 20 30 DGEDLP C[C@H]([NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1)c1cc(C#N)ccn1 ZINC000902975936 619698570 /nfs/dbraw/zinc/69/85/70/619698570.db2.gz LDCCTLUUSCKBAB-QFBILLFUSA-N 2 2 320.440 3.126 20 30 DGEDLP C[C@H]([NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1cc(C#N)ccn1 ZINC000902975936 619698571 /nfs/dbraw/zinc/69/85/71/619698571.db2.gz LDCCTLUUSCKBAB-QFBILLFUSA-N 2 2 320.440 3.126 20 30 DGEDLP C[C@@H]1C[C@H]1[C@@H]1C[C@H]1[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000903252167 619745061 /nfs/dbraw/zinc/74/50/61/619745061.db2.gz BJSXFCPAUFJOAO-PPRPKMEESA-N 2 2 309.457 3.157 20 30 DGEDLP C=CCC[C@H]([NH2+][C@H](CC[NH+](C)C)c1cccnc1)[C@H]1CCCO1 ZINC000903377357 619767846 /nfs/dbraw/zinc/76/78/46/619767846.db2.gz LFPLEAWJETXPPB-CEXWTWQISA-N 2 2 317.477 3.178 20 30 DGEDLP N#Cc1cc(Cl)cc(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)c1 ZINC000903444985 619777595 /nfs/dbraw/zinc/77/75/95/619777595.db2.gz HGLGZYJXPGTHIU-RDJZCZTQSA-N 2 2 303.837 3.176 20 30 DGEDLP N#Cc1cc(Cl)cc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)c1 ZINC000903444985 619777597 /nfs/dbraw/zinc/77/75/97/619777597.db2.gz HGLGZYJXPGTHIU-RDJZCZTQSA-N 2 2 303.837 3.176 20 30 DGEDLP N#Cc1cc(Cl)cc(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)c1 ZINC000903444984 619777611 /nfs/dbraw/zinc/77/76/11/619777611.db2.gz HGLGZYJXPGTHIU-NVXWUHKLSA-N 2 2 303.837 3.176 20 30 DGEDLP N#Cc1cc(Cl)cc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)c1 ZINC000903444984 619777613 /nfs/dbraw/zinc/77/76/13/619777613.db2.gz HGLGZYJXPGTHIU-NVXWUHKLSA-N 2 2 303.837 3.176 20 30 DGEDLP C#CCOc1ccc(C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000113329294 620904479 /nfs/dbraw/zinc/90/44/79/620904479.db2.gz BWKSKICGZJURSI-UHFFFAOYSA-N 2 2 317.392 3.174 20 30 DGEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)c2cnn(-c3ccccc3)c2)CC1 ZINC000765832997 622290501 /nfs/dbraw/zinc/29/05/01/622290501.db2.gz KEWOKWIFFJFJES-INIZCTEOSA-N 2 2 310.445 3.173 20 30 DGEDLP C[NH+](C)c1ccc(N2CCC([NH2+][C@H]3CC[C@@H](C#N)C3)CC2)cc1 ZINC000770005045 622589899 /nfs/dbraw/zinc/58/98/99/622589899.db2.gz RNTZKXASZYTZDQ-WBVHZDCISA-N 2 2 312.461 3.003 20 30 DGEDLP C[C@@H]([NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1ccc[nH]1 ZINC000776172712 623389539 /nfs/dbraw/zinc/38/95/39/623389539.db2.gz XYDJITOEUNXJLH-OAHLLOKOSA-N 2 2 308.429 3.202 20 30 DGEDLP C[C@H](CCC#N)C[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000877066573 623781798 /nfs/dbraw/zinc/78/17/98/623781798.db2.gz OGBXVJSNRJLUFC-MRXNPFEDSA-N 2 2 314.477 3.251 20 30 DGEDLP C=CC[NH+]1CCC([NH2+]Cc2ccccc2OCC(F)F)CC1 ZINC000885972768 627074144 /nfs/dbraw/zinc/07/41/44/627074144.db2.gz JYGBSQWIBVMEOG-UHFFFAOYSA-N 2 2 310.388 3.071 20 30 DGEDLP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H](CC)c2cccc(C#N)c2O)C1 ZINC000924754022 627676648 /nfs/dbraw/zinc/67/66/48/627676648.db2.gz RVAVUIRYZZUGSN-PBHICJAKSA-N 2 2 301.434 3.036 20 30 DGEDLP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](CC)c2cccc(C#N)c2O)C1 ZINC000924754022 627676651 /nfs/dbraw/zinc/67/66/51/627676651.db2.gz RVAVUIRYZZUGSN-PBHICJAKSA-N 2 2 301.434 3.036 20 30 DGEDLP C#CC[N@H+](C)CCC[NH2+][C@@H]1CCCOc2c(Cl)cccc21 ZINC000815652338 627694814 /nfs/dbraw/zinc/69/48/14/627694814.db2.gz YTBYWDIRSFYOFI-MRXNPFEDSA-N 2 2 306.837 3.098 20 30 DGEDLP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CCCOc2c(Cl)cccc21 ZINC000815652338 627694818 /nfs/dbraw/zinc/69/48/18/627694818.db2.gz YTBYWDIRSFYOFI-MRXNPFEDSA-N 2 2 306.837 3.098 20 30 DGEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)c2ccc(C(C)(C)O)cc2)CC1 ZINC000924983122 627699589 /nfs/dbraw/zinc/69/95/89/627699589.db2.gz BNUDSWLPLWRLBI-HNNXBMFYSA-N 2 2 302.462 3.215 20 30 DGEDLP N#Cc1ccc(F)c(C[NH2+][C@H]2CC[NH2+][C@@H](c3ccccc3)C2)c1 ZINC000925814700 627798988 /nfs/dbraw/zinc/79/89/88/627798988.db2.gz ONRNEHWWDQXZFB-PKOBYXMFSA-N 2 2 309.388 3.280 20 30 DGEDLP C#Cc1cccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)c1 ZINC000834903759 629803779 /nfs/dbraw/zinc/80/37/79/629803779.db2.gz RCRPJGOEAIBTTL-UTKZUKDTSA-N 2 2 319.452 3.063 20 30 DGEDLP C#Cc1cccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)c1 ZINC000834903759 629803782 /nfs/dbraw/zinc/80/37/82/629803782.db2.gz RCRPJGOEAIBTTL-UTKZUKDTSA-N 2 2 319.452 3.063 20 30 DGEDLP C#CCCOc1ccc(C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)cc1 ZINC000848575430 631701422 /nfs/dbraw/zinc/70/14/22/631701422.db2.gz QOLBLKXVACLCDO-WOJBJXKFSA-N 2 2 312.457 3.195 20 30 DGEDLP C#CCCOc1ccc(C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)cc1 ZINC000848575430 631701427 /nfs/dbraw/zinc/70/14/27/631701427.db2.gz QOLBLKXVACLCDO-WOJBJXKFSA-N 2 2 312.457 3.195 20 30 DGEDLP CCNC(NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)=[NH+]CC ZINC000848998326 631802443 /nfs/dbraw/zinc/80/24/43/631802443.db2.gz VGELUNPIBQWILQ-INIZCTEOSA-N 2 2 322.884 3.052 20 30 DGEDLP C=CC[NH+]1CCC([C@H](C)NC(=O)c2c(C)cc(C)[nH+]c2C)CC1 ZINC000997691027 660339000 /nfs/dbraw/zinc/33/90/00/660339000.db2.gz FMEUTXYPEBUIQE-HNNXBMFYSA-N 2 2 315.461 3.023 20 30 DGEDLP CC[NH+](CC)[C@@H](CNC(=[NH2+])N1CCC[C@@H](C)C1)c1ccsc1 ZINC000303904048 657577483 /nfs/dbraw/zinc/57/74/83/657577483.db2.gz UQNJGZWFYNTVDV-ZBFHGGJFSA-N 2 2 322.522 3.178 20 30 DGEDLP N#CCOc1ccc(C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000171769793 659297638 /nfs/dbraw/zinc/29/76/38/659297638.db2.gz FDDRNMDRPCYSFS-UHFFFAOYSA-N 2 2 318.380 3.064 20 30 DGEDLP C[C@H]1CCCC[C@]1(C[NH3+])[NH2+]Cc1cc(Cl)ccc1OCC#N ZINC001576690041 1191862532 /nfs/dbraw/zinc/86/25/32/1191862532.db2.gz HYXMKESZNRXAQF-SUMWQHHRSA-N 2 2 321.852 3.240 20 30 DGEDLP C[C@@H]1CCCC[C@@]1(C[NH3+])[NH2+]Cc1cc(Cl)ccc1OCC#N ZINC001576690039 1191863254 /nfs/dbraw/zinc/86/32/54/1191863254.db2.gz HYXMKESZNRXAQF-DYVFJYSZSA-N 2 2 321.852 3.240 20 30 DGEDLP N#CC1(c2ccccc2)CC([NH2+]C[C@H]2CC[N@@H+]2C2CCCC2)C1 ZINC001331534154 1178237731 /nfs/dbraw/zinc/23/77/31/1178237731.db2.gz SYTLDEPQWHVLEE-SKINQDTJSA-N 2 2 309.457 3.217 20 30 DGEDLP N#CC1(c2ccccc2)CC([NH2+]C[C@H]2CC[N@H+]2C2CCCC2)C1 ZINC001331534154 1178237735 /nfs/dbraw/zinc/23/77/35/1178237735.db2.gz SYTLDEPQWHVLEE-SKINQDTJSA-N 2 2 309.457 3.217 20 30 DGEDLP C=CCCC[C@H]([NH3+])C(=O)Nc1ccc(-c2[nH]c(C)c(C)[nH+]2)cc1 ZINC001358052397 1181450201 /nfs/dbraw/zinc/45/02/01/1181450201.db2.gz ORWIEPRNGJGUIG-INIZCTEOSA-N 2 2 312.417 3.316 20 30 DGEDLP C=CC[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)c1c(C)cc(C)[nH+]c1C ZINC001569162124 1190647294 /nfs/dbraw/zinc/64/72/94/1190647294.db2.gz AAUYDECGRHRIJJ-IRXDYDNUSA-N 2 2 315.461 3.071 20 30 DGEDLP C=CC[C@H]1CCC[N@H+](Cc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC001647404507 1195248529 /nfs/dbraw/zinc/24/85/29/1195248529.db2.gz NGPJVRYVZSJBBI-SFHVURJKSA-N 2 2 314.473 3.307 20 30 DGEDLP C=CC[C@H]1CCC[N@@H+](Cc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC001647404507 1195248538 /nfs/dbraw/zinc/24/85/38/1195248538.db2.gz NGPJVRYVZSJBBI-SFHVURJKSA-N 2 2 314.473 3.307 20 30 DGEDLP C=CC[NH+]1CCC([NH2+]Cc2ccc(OCC(F)F)cc2)CC1 ZINC001656342231 1196031463 /nfs/dbraw/zinc/03/14/63/1196031463.db2.gz ALBDHMQDPOGJJI-UHFFFAOYSA-N 2 2 310.388 3.071 20 30 DGEDLP C=CC[NH+]1CCC([NH2+]Cc2c(Cl)cccc2N(C)C)CC1 ZINC001657105079 1196106424 /nfs/dbraw/zinc/10/64/24/1196106424.db2.gz VXKRJILQJBQNKX-UHFFFAOYSA-N 2 2 307.869 3.146 20 30 DGEDLP C#CCOc1ccc(C[NH2+]C[C@H]2CC[N@@H+]2C2CCCCC2)cc1 ZINC001662888647 1196768198 /nfs/dbraw/zinc/76/81/98/1196768198.db2.gz IWGQGPRRDOWDEH-LJQANCHMSA-N 2 2 312.457 3.195 20 30 DGEDLP C#CCOc1ccc(C[NH2+]C[C@H]2CC[N@H+]2C2CCCCC2)cc1 ZINC001662888647 1196768201 /nfs/dbraw/zinc/76/82/01/1196768201.db2.gz IWGQGPRRDOWDEH-LJQANCHMSA-N 2 2 312.457 3.195 20 30 DGEDLP C=CCCC[NH2+]C[C@H](NC(=O)c1c(C)cc(C)[nH+]c1C)C1CC1 ZINC001716616515 1203506790 /nfs/dbraw/zinc/50/67/90/1203506790.db2.gz PDWGNYUWMKKFDA-KRWDZBQOSA-N 2 2 315.461 3.071 20 30 DGEDLP Cc1ccc(CC#N)c(N2CCCC[C@@H]2CC[NH+]2CCCC2)[nH+]1 ZINC001165049533 721976242 /nfs/dbraw/zinc/97/62/42/721976242.db2.gz PZEIFBWYUGVMBA-GOSISDBHSA-N 2 2 312.461 3.301 20 30 DGEDLP C=CCCC[NH2+][C@H](C)C[C@H](C)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001134739928 1083326680 /nfs/dbraw/zinc/32/66/80/1083326680.db2.gz LYWZKDWLQOXSED-KGLIPLIRSA-N 2 2 314.433 3.016 20 30 DGEDLP C[C@H](C[NH+](C)C)[C@H]1CCCC[N@@H+]1Cc1ccc(C#N)cc1F ZINC001183065167 1083869923 /nfs/dbraw/zinc/86/99/23/1083869923.db2.gz HPJHRAHNJIPXOZ-RDTXWAMCSA-N 2 2 303.425 3.250 20 30 DGEDLP C[C@H](C[NH+](C)C)[C@H]1CCCC[N@H+]1Cc1ccc(C#N)cc1F ZINC001183065167 1083869937 /nfs/dbraw/zinc/86/99/37/1083869937.db2.gz HPJHRAHNJIPXOZ-RDTXWAMCSA-N 2 2 303.425 3.250 20 30 DGEDLP C[C@@]1([NH3+])CCC[N@H+](Cc2cc(C#N)ccc2Br)CC1 ZINC001205273748 1091161314 /nfs/dbraw/zinc/16/13/14/1091161314.db2.gz PNXYRNPSWLAKPC-OAHLLOKOSA-N 2 2 322.250 3.024 20 30 DGEDLP C[C@@]1([NH3+])CCC[N@@H+](Cc2cc(C#N)ccc2Br)CC1 ZINC001205273748 1091161316 /nfs/dbraw/zinc/16/13/16/1091161316.db2.gz PNXYRNPSWLAKPC-OAHLLOKOSA-N 2 2 322.250 3.024 20 30 DGEDLP C=C(C)C[NH2+]CC1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)CC1 ZINC001205729253 1091324327 /nfs/dbraw/zinc/32/43/27/1091324327.db2.gz ZJZIYTWFWBLGAA-UHFFFAOYSA-N 2 2 315.461 3.025 20 30 DGEDLP CC[NH+](CC)C1CC[NH+](Cc2c[nH]c3c2cccc3C#N)CC1 ZINC001139703701 1091647249 /nfs/dbraw/zinc/64/72/49/1091647249.db2.gz SJLYLQROQATULP-UHFFFAOYSA-N 2 2 310.445 3.346 20 30 DGEDLP C=C(C)[C@@H]1CC=C(C[N@@H+](CCOC)C2CC[NH+](C)CC2)CC1 ZINC001208176910 1092241702 /nfs/dbraw/zinc/24/17/02/1092241702.db2.gz KFCLGCGUSMBQNB-GOSISDBHSA-N 2 2 306.494 3.332 20 30 DGEDLP C=C(C)[C@@H]1CC=C(C[N@H+](CCOC)C2CC[NH+](C)CC2)CC1 ZINC001208176910 1092241712 /nfs/dbraw/zinc/24/17/12/1092241712.db2.gz KFCLGCGUSMBQNB-GOSISDBHSA-N 2 2 306.494 3.332 20 30 DGEDLP C=CCC[N@@H+](C)[C@@H]1CCCN(C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001491938295 1092309337 /nfs/dbraw/zinc/30/93/37/1092309337.db2.gz LJXIRQIIOXBMLF-QGZVFWFLSA-N 2 2 315.461 3.119 20 30 DGEDLP C=CCC[N@H+](C)[C@@H]1CCCN(C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001491938295 1092309347 /nfs/dbraw/zinc/30/93/47/1092309347.db2.gz LJXIRQIIOXBMLF-QGZVFWFLSA-N 2 2 315.461 3.119 20 30 DGEDLP C[N@@H+]1CCc2c(C#N)c(Nc3ccc4[nH]c[nH+]c4c3)sc2C1 ZINC001209842145 1092942330 /nfs/dbraw/zinc/94/23/30/1092942330.db2.gz DXAPUHHKSABMSX-UHFFFAOYSA-N 2 2 309.398 3.228 20 30 DGEDLP C[N@H+]1CCc2c(C#N)c(Nc3ccc4[nH]c[nH+]c4c3)sc2C1 ZINC001209842145 1092942338 /nfs/dbraw/zinc/94/23/38/1092942338.db2.gz DXAPUHHKSABMSX-UHFFFAOYSA-N 2 2 309.398 3.228 20 30 DGEDLP C=CCOC(=O)[C@@H]([NH3+])CCCCNc1cc(C(C)(C)C)cc[nH+]1 ZINC001171072867 1095265982 /nfs/dbraw/zinc/26/59/82/1095265982.db2.gz ZOMHTYYDAOXNRP-HNNXBMFYSA-N 2 2 319.449 3.018 20 30 DGEDLP C[C@H](Cc1ccc(C#N)cc1)[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC001172298675 1097108924 /nfs/dbraw/zinc/10/89/24/1097108924.db2.gz CQQICLLFGAKZQA-MRXNPFEDSA-N 2 2 320.440 3.143 20 30 DGEDLP C[C@H](CCCC#N)[N@@H+]1CC[C@H]2[C@@H](CC[NH+]2Cc2nccs2)C1 ZINC001172500120 1097172337 /nfs/dbraw/zinc/17/23/37/1097172337.db2.gz WYAQEBMZIGBHON-PMPSAXMXSA-N 2 2 318.490 3.122 20 30 DGEDLP C[C@H](CCCC#N)[N@H+]1CC[C@H]2[C@@H](CC[NH+]2Cc2nccs2)C1 ZINC001172500120 1097172341 /nfs/dbraw/zinc/17/23/41/1097172341.db2.gz WYAQEBMZIGBHON-PMPSAXMXSA-N 2 2 318.490 3.122 20 30 DGEDLP C[C@H](CCCC#N)[NH+]1CC[C@H]2[C@@H](CC[N@@H+]2Cc2nccs2)C1 ZINC001172500120 1097172343 /nfs/dbraw/zinc/17/23/43/1097172343.db2.gz WYAQEBMZIGBHON-PMPSAXMXSA-N 2 2 318.490 3.122 20 30 DGEDLP C[C@H](CCCC#N)[NH+]1CC[C@H]2[C@@H](CC[N@H+]2Cc2nccs2)C1 ZINC001172500120 1097172347 /nfs/dbraw/zinc/17/23/47/1097172347.db2.gz WYAQEBMZIGBHON-PMPSAXMXSA-N 2 2 318.490 3.122 20 30 DGEDLP C=CCOC1CCC([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC001173312422 1097408731 /nfs/dbraw/zinc/40/87/31/1097408731.db2.gz ZSWGLDRGXBKNQZ-UHFFFAOYSA-N 2 2 311.429 3.476 20 30 DGEDLP N#Cc1ccc(C[N@@H+]2CCCC[C@H]2CC[NH+]2CCCC2)c(O)c1 ZINC001233386034 1098310658 /nfs/dbraw/zinc/31/06/58/1098310658.db2.gz CRNPDBAUMYOPEB-SFHVURJKSA-N 2 2 313.445 3.104 20 30 DGEDLP N#Cc1ccc(C[N@H+]2CCCC[C@H]2CC[NH+]2CCCC2)c(O)c1 ZINC001233386034 1098310662 /nfs/dbraw/zinc/31/06/62/1098310662.db2.gz CRNPDBAUMYOPEB-SFHVURJKSA-N 2 2 313.445 3.104 20 30 DGEDLP C(#Cc1ccccc1)c1ccc(C[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)s1 ZINC001235267727 1098938326 /nfs/dbraw/zinc/93/83/26/1098938326.db2.gz IGSWFZHRAKLTQZ-YLJYHZDGSA-N 2 2 322.477 3.332 20 30 DGEDLP C(#Cc1ccccc1)c1ccc(C[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)s1 ZINC001235267727 1098938328 /nfs/dbraw/zinc/93/83/28/1098938328.db2.gz IGSWFZHRAKLTQZ-YLJYHZDGSA-N 2 2 322.477 3.332 20 30 DGEDLP Cc1ncsc1C[N@@H+]1CC[C@@]2(C1)CCC[NH+](CCCC#N)C2 ZINC001277943571 1099010173 /nfs/dbraw/zinc/01/01/73/1099010173.db2.gz ZDTINJKNSYPJKO-KRWDZBQOSA-N 2 2 318.490 3.043 20 30 DGEDLP Cc1ncsc1C[N@H+]1CC[C@@]2(C1)CCC[NH+](CCCC#N)C2 ZINC001277943571 1099010187 /nfs/dbraw/zinc/01/01/87/1099010187.db2.gz ZDTINJKNSYPJKO-KRWDZBQOSA-N 2 2 318.490 3.043 20 30 DGEDLP Cc1ncsc1C[NH+]1CC[C@@]2(C1)CCC[N@H+](CCCC#N)C2 ZINC001277943571 1099010200 /nfs/dbraw/zinc/01/02/00/1099010200.db2.gz ZDTINJKNSYPJKO-KRWDZBQOSA-N 2 2 318.490 3.043 20 30 DGEDLP Cc1ncsc1C[NH+]1CC[C@@]2(C1)CCC[N@@H+](CCCC#N)C2 ZINC001277943571 1099010213 /nfs/dbraw/zinc/01/02/13/1099010213.db2.gz ZDTINJKNSYPJKO-KRWDZBQOSA-N 2 2 318.490 3.043 20 30 DGEDLP C=C(C)CC[NH2+]CCCCCCNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001179705545 1099179498 /nfs/dbraw/zinc/17/94/98/1099179498.db2.gz IOLIDAWSOHPSKF-QGZVFWFLSA-N 2 2 320.481 3.067 20 30 DGEDLP C=CCOc1ccccc1C[N@@H+](CC(C)C)[C@@H]1CCC[NH2+]C1 ZINC001236477498 1099634908 /nfs/dbraw/zinc/63/49/08/1099634908.db2.gz FOHZSOGPUOUSHI-GOSISDBHSA-N 2 2 302.462 3.461 20 30 DGEDLP C=CCOc1ccccc1C[N@H+](CC(C)C)[C@@H]1CCC[NH2+]C1 ZINC001236477498 1099634911 /nfs/dbraw/zinc/63/49/11/1099634911.db2.gz FOHZSOGPUOUSHI-GOSISDBHSA-N 2 2 302.462 3.461 20 30 DGEDLP N#Cc1ccc(/C=C/c2ccn3c[nH+]c(C4C[NH2+]C4)c3c2)cc1 ZINC001239291795 1100623398 /nfs/dbraw/zinc/62/33/98/1100623398.db2.gz PXJJJULSGTVYFG-DAFODLJHSA-N 2 2 300.365 3.063 20 30 DGEDLP C=CCCC[NH2+]C1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)CC1 ZINC001201711183 1102698072 /nfs/dbraw/zinc/69/80/72/1102698072.db2.gz CMYNNPLCZDMMMR-UHFFFAOYSA-N 2 2 315.461 3.167 20 30 DGEDLP CCCCCCC[N@@H+]1CCc2onc(Cn3cc[nH+]c3)c2C1 ZINC001201762348 1102722439 /nfs/dbraw/zinc/72/24/39/1102722439.db2.gz GZDFSUXEBFDCRW-UHFFFAOYSA-N 2 2 302.422 3.248 20 30 DGEDLP CCCCCCC[N@H+]1CCc2onc(Cn3cc[nH+]c3)c2C1 ZINC001201762348 1102722449 /nfs/dbraw/zinc/72/24/49/1102722449.db2.gz GZDFSUXEBFDCRW-UHFFFAOYSA-N 2 2 302.422 3.248 20 30 DGEDLP C=CCCCCCC[C@@H](O)C[N@@H+](CC[NH3+])Cc1ccccc1 ZINC001246054766 1104359789 /nfs/dbraw/zinc/35/97/89/1104359789.db2.gz JIOAYSOTMHVISY-LJQANCHMSA-N 2 2 304.478 3.335 20 30 DGEDLP C=CCCCCCC[C@@H](O)C[N@H+](CC[NH3+])Cc1ccccc1 ZINC001246054766 1104359800 /nfs/dbraw/zinc/35/98/00/1104359800.db2.gz JIOAYSOTMHVISY-LJQANCHMSA-N 2 2 304.478 3.335 20 30 DGEDLP C=CCCCC[N@@H+]1CCC[C@]2(CC[NH+](Cc3cn[nH]c3)C2)C1 ZINC001274973993 1104564879 /nfs/dbraw/zinc/56/48/79/1104564879.db2.gz APRHREHVVHDWCT-SFHVURJKSA-N 2 2 302.466 3.054 20 30 DGEDLP C=CCCCC[N@H+]1CCC[C@]2(CC[NH+](Cc3cn[nH]c3)C2)C1 ZINC001274973993 1104564889 /nfs/dbraw/zinc/56/48/89/1104564889.db2.gz APRHREHVVHDWCT-SFHVURJKSA-N 2 2 302.466 3.054 20 30 DGEDLP C=CCCCC[NH+]1CCC[C@]2(CC[N@H+](Cc3cn[nH]c3)C2)C1 ZINC001274973993 1104564900 /nfs/dbraw/zinc/56/49/00/1104564900.db2.gz APRHREHVVHDWCT-SFHVURJKSA-N 2 2 302.466 3.054 20 30 DGEDLP C=CCCCC[NH+]1CCC[C@]2(CC[N@@H+](Cc3cn[nH]c3)C2)C1 ZINC001274973993 1104564904 /nfs/dbraw/zinc/56/49/04/1104564904.db2.gz APRHREHVVHDWCT-SFHVURJKSA-N 2 2 302.466 3.054 20 30 DGEDLP CCCCCCCC[N@@H+]1CC[C@H]2[C@@H]1CCN2CCn1cc[nH+]c1 ZINC001275131035 1104640827 /nfs/dbraw/zinc/64/08/27/1104640827.db2.gz MXDZOVKKQFMAKX-OALUTQOASA-N 2 2 318.509 3.392 20 30 DGEDLP CCCCCCCC[N@H+]1CC[C@H]2[C@@H]1CCN2CCn1cc[nH+]c1 ZINC001275131035 1104640831 /nfs/dbraw/zinc/64/08/31/1104640831.db2.gz MXDZOVKKQFMAKX-OALUTQOASA-N 2 2 318.509 3.392 20 30 DGEDLP C[N@@H+]1CCCC2(CC[NH+](Cc3c(F)ccc(C#N)c3F)CC2)C1 ZINC001275810707 1104917554 /nfs/dbraw/zinc/91/75/54/1104917554.db2.gz IFJURGQBEBJRBH-UHFFFAOYSA-N 2 2 319.399 3.144 20 30 DGEDLP C[N@H+]1CCCC2(CC[NH+](Cc3c(F)ccc(C#N)c3F)CC2)C1 ZINC001275810707 1104917558 /nfs/dbraw/zinc/91/75/58/1104917558.db2.gz IFJURGQBEBJRBH-UHFFFAOYSA-N 2 2 319.399 3.144 20 30 DGEDLP C=CCC[C@@H](O)C[NH+]1CCC([N@H+](C)Cc2cccc(F)c2)CC1 ZINC001252601944 1105801046 /nfs/dbraw/zinc/80/10/46/1105801046.db2.gz GYPKPOCXTDIFIK-LJQANCHMSA-N 2 2 320.452 3.049 20 30 DGEDLP C=CCC[C@@H](O)C[NH+]1CCC([N@@H+](C)Cc2cccc(F)c2)CC1 ZINC001252601944 1105801055 /nfs/dbraw/zinc/80/10/55/1105801055.db2.gz GYPKPOCXTDIFIK-LJQANCHMSA-N 2 2 320.452 3.049 20 30 DGEDLP C[N@H+](Cc1ccc(F)cc1)C1CC[NH+]([C@H]2CC[C@@H](C#N)C2)CC1 ZINC001254670239 1106129294 /nfs/dbraw/zinc/12/92/94/1106129294.db2.gz ABASVVGXVMJOKG-APWZRJJASA-N 2 2 315.436 3.414 20 30 DGEDLP C[N@@H+](Cc1ccc(F)cc1)C1CC[NH+]([C@H]2CC[C@@H](C#N)C2)CC1 ZINC001254670239 1106129297 /nfs/dbraw/zinc/12/92/97/1106129297.db2.gz ABASVVGXVMJOKG-APWZRJJASA-N 2 2 315.436 3.414 20 30 DGEDLP CC[C@H](CC#N)[NH+]1CCN(c2cc(C)[nH+]c3ccccc32)CC1 ZINC001255166796 1106197250 /nfs/dbraw/zinc/19/72/50/1106197250.db2.gz QKMRUWVUDSHWIY-MRXNPFEDSA-N 2 2 308.429 3.358 20 30 DGEDLP C=CCC[C@H](C)[N@@H+]1CC[C@@H]2[C@@H](CC[NH+]2Cc2nccs2)C1 ZINC001258727542 1106931949 /nfs/dbraw/zinc/93/19/49/1106931949.db2.gz GHWYXPYFGLUDNA-HRCADAONSA-N 2 2 305.491 3.394 20 30 DGEDLP C=CCC[C@H](C)[N@H+]1CC[C@@H]2[C@@H](CC[NH+]2Cc2nccs2)C1 ZINC001258727542 1106931959 /nfs/dbraw/zinc/93/19/59/1106931959.db2.gz GHWYXPYFGLUDNA-HRCADAONSA-N 2 2 305.491 3.394 20 30 DGEDLP C=CCC[C@H](C)[NH+]1CC[C@@H]2[C@@H](CC[N@@H+]2Cc2nccs2)C1 ZINC001258727542 1106931973 /nfs/dbraw/zinc/93/19/73/1106931973.db2.gz GHWYXPYFGLUDNA-HRCADAONSA-N 2 2 305.491 3.394 20 30 DGEDLP C=CCC[C@H](C)[NH+]1CC[C@@H]2[C@@H](CC[N@H+]2Cc2nccs2)C1 ZINC001258727542 1106931981 /nfs/dbraw/zinc/93/19/81/1106931981.db2.gz GHWYXPYFGLUDNA-HRCADAONSA-N 2 2 305.491 3.394 20 30 DGEDLP N#Cc1cc(C[NH2+][C@@H](Cn2cc[nH+]c2)c2ccccc2)ccc1F ZINC001308036010 1111369301 /nfs/dbraw/zinc/36/93/01/1111369301.db2.gz ZJUBCOWKUUNKCP-IBGZPJMESA-N 2 2 320.371 3.425 20 30 DGEDLP N#Cc1cccc(C[NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)c1 ZINC000063548780 432005432 /nfs/dbraw/zinc/00/54/32/432005432.db2.gz SMJCYRHFCQBRAF-UHFFFAOYSA-N 2 2 306.344 3.173 20 30 DGEDLP C[C@@H]([NH2+]C1CC[NH+](Cc2ccccn2)CC1)c1ccc(C#N)cc1 ZINC000173950480 198272244 /nfs/dbraw/zinc/27/22/44/198272244.db2.gz JJMXKDRYXONNBZ-MRXNPFEDSA-N 2 2 320.440 3.268 20 30 DGEDLP N#Cc1ccc(C[N@H+](Cc2ccccn2)[C@H]2CCC[NH2+]CC2)cc1 ZINC000435615397 238329245 /nfs/dbraw/zinc/32/92/45/238329245.db2.gz HSACJURWSWQRQA-FQEVSTJZSA-N 2 2 320.440 3.098 20 30 DGEDLP N#Cc1ccc(C[N@@H+](Cc2ccccn2)[C@H]2CCC[NH2+]CC2)cc1 ZINC000435615397 238329250 /nfs/dbraw/zinc/32/92/50/238329250.db2.gz HSACJURWSWQRQA-FQEVSTJZSA-N 2 2 320.440 3.098 20 30 DGEDLP Clc1ccccc1C#CC[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000135167250 432103412 /nfs/dbraw/zinc/10/34/12/432103412.db2.gz ISHUJOCARNVVCY-QGZVFWFLSA-N 2 2 312.800 3.240 20 30 DGEDLP Clc1ccccc1C#CC[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000135167250 432103415 /nfs/dbraw/zinc/10/34/15/432103415.db2.gz ISHUJOCARNVVCY-QGZVFWFLSA-N 2 2 312.800 3.240 20 30 DGEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2ccnn2C2CCCC2)CC1 ZINC000449125094 240029614 /nfs/dbraw/zinc/02/96/14/240029614.db2.gz RTOQHDNIQCJMJD-UHFFFAOYSA-N 2 2 302.466 3.128 20 30 DGEDLP C=CC[NH+]1CCC([NH2+][C@H](C)c2ccc(-n3cccn3)cc2)CC1 ZINC000268855537 207021795 /nfs/dbraw/zinc/02/17/95/207021795.db2.gz GSCUNCADQADJHV-MRXNPFEDSA-N 2 2 310.445 3.173 20 30 DGEDLP C=C(Br)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000268918869 207084899 /nfs/dbraw/zinc/08/48/99/207084899.db2.gz PVKISXRNINKZLE-CZUORRHYSA-N 2 2 323.278 3.395 20 30 DGEDLP C=C(Br)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000268918869 207084904 /nfs/dbraw/zinc/08/49/04/207084904.db2.gz PVKISXRNINKZLE-CZUORRHYSA-N 2 2 323.278 3.395 20 30 DGEDLP N#Cc1ccc(C[NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)c(F)c1 ZINC000343268729 254122362 /nfs/dbraw/zinc/12/23/62/254122362.db2.gz WSDUZDXAEWFZNK-UHFFFAOYSA-N 2 2 320.371 3.232 20 30 DGEDLP N#Cc1ccc(C[NH2+]CCC[N@@H+]2CCc3ccccc3C2)c(F)c1 ZINC000343191800 254112243 /nfs/dbraw/zinc/11/22/43/254112243.db2.gz IMIVJIQAVUOXTC-UHFFFAOYSA-N 2 2 323.415 3.235 20 30 DGEDLP N#Cc1ccc(C[NH2+]CCC[N@H+]2CCc3ccccc3C2)c(F)c1 ZINC000343191800 254112245 /nfs/dbraw/zinc/11/22/45/254112245.db2.gz IMIVJIQAVUOXTC-UHFFFAOYSA-N 2 2 323.415 3.235 20 30 DGEDLP N#Cc1cccc(CC[NH2+][C@@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000343514689 254154230 /nfs/dbraw/zinc/15/42/30/254154230.db2.gz PJBBCAFTMQFQJT-OAQYLSRUSA-N 2 2 319.452 3.355 20 30 DGEDLP N#Cc1cccc(CC[NH2+][C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000343514689 254154231 /nfs/dbraw/zinc/15/42/31/254154231.db2.gz PJBBCAFTMQFQJT-OAQYLSRUSA-N 2 2 319.452 3.355 20 30 DGEDLP C[C@@H]([NH2+]CC[N@H+](C)Cc1ccccc1)c1ccc(OCC#N)cc1 ZINC000181557010 533392587 /nfs/dbraw/zinc/39/25/87/533392587.db2.gz FYHVYUUPKZOSCH-QGZVFWFLSA-N 2 2 323.440 3.372 20 30 DGEDLP C[C@@H]([NH2+]CC[N@@H+](C)Cc1ccccc1)c1ccc(OCC#N)cc1 ZINC000181557010 533392590 /nfs/dbraw/zinc/39/25/90/533392590.db2.gz FYHVYUUPKZOSCH-QGZVFWFLSA-N 2 2 323.440 3.372 20 30 DGEDLP N#Cc1ccc(C[N@@H+]2CCC[C@H]3C[NH2+]CC[C@H]32)c(C(F)(F)F)c1 ZINC000601333882 400292538 /nfs/dbraw/zinc/29/25/38/400292538.db2.gz HMACXXCNBOGRPH-XJKSGUPXSA-N 2 2 323.362 3.151 20 30 DGEDLP N#Cc1ccc(C[N@H+]2CCC[C@H]3C[NH2+]CC[C@H]32)c(C(F)(F)F)c1 ZINC000601333882 400292541 /nfs/dbraw/zinc/29/25/41/400292541.db2.gz HMACXXCNBOGRPH-XJKSGUPXSA-N 2 2 323.362 3.151 20 30 DGEDLP C[C@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1)c1ccc(C#N)cc1 ZINC000596648744 400472156 /nfs/dbraw/zinc/47/21/56/400472156.db2.gz FKRIOLMVHVSODB-VHKYSDTDSA-N 2 2 323.415 3.494 20 30 DGEDLP C[C@H]1C[C@@H]([NH2+]Cc2cccc(C#N)n2)CC[N@@H+]1Cc1ccccc1 ZINC000602563870 400497088 /nfs/dbraw/zinc/49/70/88/400497088.db2.gz HNRKVYPQIWRMJF-WMZOPIPTSA-N 2 2 320.440 3.096 20 30 DGEDLP C[C@H]1C[C@@H]([NH2+]Cc2cccc(C#N)n2)CC[N@H+]1Cc1ccccc1 ZINC000602563870 400497093 /nfs/dbraw/zinc/49/70/93/400497093.db2.gz HNRKVYPQIWRMJF-WMZOPIPTSA-N 2 2 320.440 3.096 20 30 DGEDLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)CC1(CC#N)CC1 ZINC000602782100 400572003 /nfs/dbraw/zinc/57/20/03/400572003.db2.gz JCJNDBDHOPTCHF-UHFFFAOYSA-N 2 2 312.461 3.314 20 30 DGEDLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)CC1(CC#N)CC1 ZINC000602782100 400572004 /nfs/dbraw/zinc/57/20/04/400572004.db2.gz JCJNDBDHOPTCHF-UHFFFAOYSA-N 2 2 312.461 3.314 20 30 DGEDLP N#CC1(c2ccc(C[N@@H+]3CCC[C@@H](c4[nH]cc[nH+]4)C3)cc2)CC1 ZINC000596988215 400535124 /nfs/dbraw/zinc/53/51/24/400535124.db2.gz FYCZHISZRDQITD-MRXNPFEDSA-N 2 2 306.413 3.344 20 30 DGEDLP N#CC1(c2ccc(C[N@H+]3CCC[C@@H](c4[nH]cc[nH+]4)C3)cc2)CC1 ZINC000596988215 400535127 /nfs/dbraw/zinc/53/51/27/400535127.db2.gz FYCZHISZRDQITD-MRXNPFEDSA-N 2 2 306.413 3.344 20 30 DGEDLP C[C@@H]1C[C@@H]([NH2+]C2CC[NH+](Cc3cccc(C#N)c3)CC2)CS1 ZINC000602708952 400546777 /nfs/dbraw/zinc/54/67/77/400546777.db2.gz ZQRDLLDDXFLWOM-RDTXWAMCSA-N 2 2 315.486 3.006 20 30 DGEDLP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@H](C#N)CCC#N ZINC000591766124 400554834 /nfs/dbraw/zinc/55/48/34/400554834.db2.gz CWZGXBQGFHKBLR-RBUKOAKNSA-N 2 2 324.472 3.320 20 30 DGEDLP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@H](C#N)CCC#N ZINC000591766124 400554838 /nfs/dbraw/zinc/55/48/38/400554838.db2.gz CWZGXBQGFHKBLR-RBUKOAKNSA-N 2 2 324.472 3.320 20 30 DGEDLP N#Cc1ccc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1F ZINC000192121974 165283046 /nfs/dbraw/zinc/28/30/46/165283046.db2.gz YCMLQHGKHAXYCD-APWZRJJASA-N 2 2 313.420 3.146 20 30 DGEDLP N#Cc1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1F ZINC000192121974 165283052 /nfs/dbraw/zinc/28/30/52/165283052.db2.gz YCMLQHGKHAXYCD-APWZRJJASA-N 2 2 313.420 3.146 20 30 DGEDLP N#Cc1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1F ZINC000192121974 165283059 /nfs/dbraw/zinc/28/30/59/165283059.db2.gz YCMLQHGKHAXYCD-APWZRJJASA-N 2 2 313.420 3.146 20 30 DGEDLP C[C@H]1CC[N@H+](CCCOc2ccc(C#N)cc2)C[C@H]1n1cc[nH+]c1 ZINC000246995469 432188826 /nfs/dbraw/zinc/18/88/26/432188826.db2.gz CXZGNWAIXYKDML-QFBILLFUSA-N 2 2 324.428 3.107 20 30 DGEDLP C[C@H]1CC[N@@H+](CCCOc2ccc(C#N)cc2)C[C@H]1n1cc[nH+]c1 ZINC000246995469 432188828 /nfs/dbraw/zinc/18/88/28/432188828.db2.gz CXZGNWAIXYKDML-QFBILLFUSA-N 2 2 324.428 3.107 20 30 DGEDLP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(C#N)cc2)C1 ZINC000356923099 267002595 /nfs/dbraw/zinc/00/25/95/267002595.db2.gz QYWBGGAYGBMDEZ-OXJNMPFZSA-N 2 2 305.425 3.483 20 30 DGEDLP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+]Cc2ccc(C#N)cc2)C1 ZINC000356923099 267002598 /nfs/dbraw/zinc/00/25/98/267002598.db2.gz QYWBGGAYGBMDEZ-OXJNMPFZSA-N 2 2 305.425 3.483 20 30 DGEDLP N#Cc1ccc(C[NH2+]C[C@H]2CCC[N@H+](Cc3ccccc3)C2)o1 ZINC000369674531 268073985 /nfs/dbraw/zinc/07/39/85/268073985.db2.gz VNQATZZDFFRBAW-QGZVFWFLSA-N 2 2 309.413 3.153 20 30 DGEDLP N#Cc1ccc(C[NH2+]C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)o1 ZINC000369674531 268073989 /nfs/dbraw/zinc/07/39/89/268073989.db2.gz VNQATZZDFFRBAW-QGZVFWFLSA-N 2 2 309.413 3.153 20 30 DGEDLP Cc1ncccc1C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000527793496 268089255 /nfs/dbraw/zinc/08/92/55/268089255.db2.gz JPCZJKHDRPFRFO-UHFFFAOYSA-N 2 2 320.440 3.016 20 30 DGEDLP N#Cc1ccc(C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)o1 ZINC000367968079 271104465 /nfs/dbraw/zinc/10/44/65/271104465.db2.gz WNVBYMOTVFKMBI-QZTJIDSGSA-N 2 2 321.424 3.105 20 30 DGEDLP N#Cc1ccc(C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)o1 ZINC000367968079 271104469 /nfs/dbraw/zinc/10/44/69/271104469.db2.gz WNVBYMOTVFKMBI-QZTJIDSGSA-N 2 2 321.424 3.105 20 30 DGEDLP N#Cc1ccc(C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)o1 ZINC000367968079 271104475 /nfs/dbraw/zinc/10/44/75/271104475.db2.gz WNVBYMOTVFKMBI-QZTJIDSGSA-N 2 2 321.424 3.105 20 30 DGEDLP N#Cc1ccc(C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)o1 ZINC000367968079 271104479 /nfs/dbraw/zinc/10/44/79/271104479.db2.gz WNVBYMOTVFKMBI-QZTJIDSGSA-N 2 2 321.424 3.105 20 30 DGEDLP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+]Cc1cccc(C#N)c1 ZINC000151492176 432250830 /nfs/dbraw/zinc/25/08/30/432250830.db2.gz VGGPPILMPCKLKS-JXFKEZNVSA-N 2 2 305.425 3.168 20 30 DGEDLP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+]Cc1cccc(C#N)c1 ZINC000151492176 432250835 /nfs/dbraw/zinc/25/08/35/432250835.db2.gz VGGPPILMPCKLKS-JXFKEZNVSA-N 2 2 305.425 3.168 20 30 DGEDLP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]CC#Cc1ccc(C(F)(F)F)cc1 ZINC000090180660 274339463 /nfs/dbraw/zinc/33/94/63/274339463.db2.gz LPJLVHQGLYYDMX-JKIFEVAISA-N 2 2 324.390 3.375 20 30 DGEDLP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CC#Cc1ccc(C(F)(F)F)cc1 ZINC000090180660 274339467 /nfs/dbraw/zinc/33/94/67/274339467.db2.gz LPJLVHQGLYYDMX-JKIFEVAISA-N 2 2 324.390 3.375 20 30 DGEDLP C=CC[NH+](CC=C)[C@H](CNC(=O)Nc1cc[nH+]cc1C)C(C)C ZINC000120316098 431725369 /nfs/dbraw/zinc/72/53/69/431725369.db2.gz DNBKIGRQJFJFBK-QGZVFWFLSA-N 2 2 316.449 3.210 20 30 DGEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CCSc3ccc(OC)cc32)CC1 ZINC000191511796 432273504 /nfs/dbraw/zinc/27/35/04/432273504.db2.gz WMQZFJRWAUNOOK-QGZVFWFLSA-N 2 2 318.486 3.472 20 30 DGEDLP CC(C)(C[NH2+][C@@H]1CCC[C@@H](C#N)C1)[N@@H+]1CCc2ccccc2C1 ZINC000185800923 432534084 /nfs/dbraw/zinc/53/40/84/432534084.db2.gz DBYAEKUMYUNDEZ-VQIMIIECSA-N 2 2 311.473 3.495 20 30 DGEDLP CC(C)(C[NH2+][C@@H]1CCC[C@@H](C#N)C1)[N@H+]1CCc2ccccc2C1 ZINC000185800923 432534088 /nfs/dbraw/zinc/53/40/88/432534088.db2.gz DBYAEKUMYUNDEZ-VQIMIIECSA-N 2 2 311.473 3.495 20 30 DGEDLP N#Cc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+]2Cc2ccccc2)s1 ZINC000176970261 432570778 /nfs/dbraw/zinc/57/07/78/432570778.db2.gz JSZYFESJONIDQK-INIZCTEOSA-N 2 2 311.454 3.374 20 30 DGEDLP N#Cc1ccc(C[NH2+]C[C@@H]2CCC[N@H+]2Cc2ccccc2)s1 ZINC000176970261 432570782 /nfs/dbraw/zinc/57/07/82/432570782.db2.gz JSZYFESJONIDQK-INIZCTEOSA-N 2 2 311.454 3.374 20 30 DGEDLP C[N@H+](CC#Cc1ccc(C(F)(F)F)cc1)C[C@@H]1CCC[NH+](C)C1 ZINC000177184715 432595300 /nfs/dbraw/zinc/59/53/00/432595300.db2.gz HXPWPYZDPCKHOQ-INIZCTEOSA-N 2 2 324.390 3.331 20 30 DGEDLP C[N@@H+](CC#Cc1ccc(C(F)(F)F)cc1)C[C@@H]1CCC[NH+](C)C1 ZINC000177184715 432595304 /nfs/dbraw/zinc/59/53/04/432595304.db2.gz HXPWPYZDPCKHOQ-INIZCTEOSA-N 2 2 324.390 3.331 20 30 DGEDLP C[NH+](CC#Cc1ccc(C(F)(F)F)cc1)C[C@@H]1CCC[N@H+](C)C1 ZINC000177184715 432595307 /nfs/dbraw/zinc/59/53/07/432595307.db2.gz HXPWPYZDPCKHOQ-INIZCTEOSA-N 2 2 324.390 3.331 20 30 DGEDLP C[NH+](CC#Cc1ccc(C(F)(F)F)cc1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000177184715 432595309 /nfs/dbraw/zinc/59/53/09/432595309.db2.gz HXPWPYZDPCKHOQ-INIZCTEOSA-N 2 2 324.390 3.331 20 30 DGEDLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3ccc(C#N)cc3Cl)CC[C@@H]21 ZINC000162924914 432837295 /nfs/dbraw/zinc/83/72/95/432837295.db2.gz YGFPSPYVBJCEEI-WBVHZDCISA-N 2 2 303.837 3.128 20 30 DGEDLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3ccc(C#N)cc3Cl)CC[C@@H]21 ZINC000162924914 432837296 /nfs/dbraw/zinc/83/72/96/432837296.db2.gz YGFPSPYVBJCEEI-WBVHZDCISA-N 2 2 303.837 3.128 20 30 DGEDLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3ccc(C#N)cc3Cl)CC[C@@H]21 ZINC000162924914 432837299 /nfs/dbraw/zinc/83/72/99/432837299.db2.gz YGFPSPYVBJCEEI-WBVHZDCISA-N 2 2 303.837 3.128 20 30 DGEDLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3ccc(C#N)cc3Cl)CC[C@@H]21 ZINC000162924914 432837300 /nfs/dbraw/zinc/83/73/00/432837300.db2.gz YGFPSPYVBJCEEI-WBVHZDCISA-N 2 2 303.837 3.128 20 30 DGEDLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC(C)(C)CCC#N ZINC000246056614 432875155 /nfs/dbraw/zinc/87/51/55/432875155.db2.gz CXSVWUJSCDIVNV-FUHWJXTLSA-N 2 2 314.477 3.212 20 30 DGEDLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC(C)(C)CCC#N ZINC000246056614 432875157 /nfs/dbraw/zinc/87/51/57/432875157.db2.gz CXSVWUJSCDIVNV-FUHWJXTLSA-N 2 2 314.477 3.212 20 30 DGEDLP C=CC[NH+]1CCC([NH2+]Cc2cc(O)cc(C(F)(F)F)c2)CC1 ZINC000289499825 432967916 /nfs/dbraw/zinc/96/79/16/432967916.db2.gz LWFLDEKCFVNSNP-UHFFFAOYSA-N 2 2 314.351 3.151 20 30 DGEDLP C[NH+]1CCC([N@@H+](Cc2ccco2)Cc2cccc(C#N)c2)CC1 ZINC000290486711 433066971 /nfs/dbraw/zinc/06/69/71/433066971.db2.gz OHYQOYFDWYPZFD-UHFFFAOYSA-N 2 2 309.413 3.248 20 30 DGEDLP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)c2cnc(OC)c(Cl)c2)CC1 ZINC000284070999 433828991 /nfs/dbraw/zinc/82/89/91/433828991.db2.gz ASBJKAJTAKZARU-ZDUSSCGKSA-N 2 2 323.868 3.435 20 30 DGEDLP C=CCOc1ccccc1C[NH2+][C@H](Cc1ccccc1)[C@@H](C)[NH3+] ZINC000422901392 434098415 /nfs/dbraw/zinc/09/84/15/434098415.db2.gz BXVMNIHEBPNADX-VQIMIIECSA-N 2 2 310.441 3.300 20 30 DGEDLP COCC[N@H+](CCCc1ccc(C)[nH+]c1)Cc1ccc(C#N)cc1 ZINC000353463853 434152144 /nfs/dbraw/zinc/15/21/44/434152144.db2.gz YJIMAPALHFPWHR-UHFFFAOYSA-N 2 2 323.440 3.343 20 30 DGEDLP COCC[N@@H+](CCCc1ccc(C)[nH+]c1)Cc1ccc(C#N)cc1 ZINC000353463853 434152151 /nfs/dbraw/zinc/15/21/51/434152151.db2.gz YJIMAPALHFPWHR-UHFFFAOYSA-N 2 2 323.440 3.343 20 30 DGEDLP Cc1cc(C[NH+](C)CCC[N@@H+](C)Cc2ccco2)ccc1C#N ZINC000353549624 434221203 /nfs/dbraw/zinc/22/12/03/434221203.db2.gz KWCHKIREJIXVMU-UHFFFAOYSA-N 2 2 311.429 3.414 20 30 DGEDLP Cc1cc(C[NH+](C)CCC[N@H+](C)Cc2ccco2)ccc1C#N ZINC000353549624 434221209 /nfs/dbraw/zinc/22/12/09/434221209.db2.gz KWCHKIREJIXVMU-UHFFFAOYSA-N 2 2 311.429 3.414 20 30 DGEDLP Cc1cc(C[N@@H+](C)CCC[NH+](C)Cc2ccco2)ccc1C#N ZINC000353549624 434221218 /nfs/dbraw/zinc/22/12/18/434221218.db2.gz KWCHKIREJIXVMU-UHFFFAOYSA-N 2 2 311.429 3.414 20 30 DGEDLP Cc1cc(C[N@H+](C)CCC[NH+](C)Cc2ccco2)ccc1C#N ZINC000353549624 434221225 /nfs/dbraw/zinc/22/12/25/434221225.db2.gz KWCHKIREJIXVMU-UHFFFAOYSA-N 2 2 311.429 3.414 20 30 DGEDLP CC[N@@H+]1CC[C@H]([NH+](C)CC#Cc2cccc(Cl)c2)C[C@H]1C ZINC000437565356 434286654 /nfs/dbraw/zinc/28/66/54/434286654.db2.gz CLTDYOSLJMFANC-QAPCUYQASA-N 2 2 304.865 3.496 20 30 DGEDLP CC[N@H+]1CC[C@H]([NH+](C)CC#Cc2cccc(Cl)c2)C[C@H]1C ZINC000437565356 434286662 /nfs/dbraw/zinc/28/66/62/434286662.db2.gz CLTDYOSLJMFANC-QAPCUYQASA-N 2 2 304.865 3.496 20 30 DGEDLP CC[NH+]1CC[C@H]([N@H+](C)CC#Cc2cccc(Cl)c2)C[C@H]1C ZINC000437565356 434286667 /nfs/dbraw/zinc/28/66/67/434286667.db2.gz CLTDYOSLJMFANC-QAPCUYQASA-N 2 2 304.865 3.496 20 30 DGEDLP CC[NH+]1CC[C@H]([N@@H+](C)CC#Cc2cccc(Cl)c2)C[C@H]1C ZINC000437565356 434286670 /nfs/dbraw/zinc/28/66/70/434286670.db2.gz CLTDYOSLJMFANC-QAPCUYQASA-N 2 2 304.865 3.496 20 30 DGEDLP CC[C@@H]([NH2+]C[C@@H]1[NH2+]CCc2ccccc21)c1ccc(C#N)cc1 ZINC000423431360 434420647 /nfs/dbraw/zinc/42/06/47/434420647.db2.gz QLUGGBXFLDCUTO-UXHICEINSA-N 2 2 305.425 3.486 20 30 DGEDLP CCCCCCCC[N@@H+]1CC[C@@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000367022441 434535458 /nfs/dbraw/zinc/53/54/58/434535458.db2.gz SXWWSYDZVCMMLN-RBUKOAKNSA-N 2 2 309.542 3.305 20 30 DGEDLP CCCCCCCC[N@H+]1CC[C@@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000367022441 434535465 /nfs/dbraw/zinc/53/54/65/434535465.db2.gz SXWWSYDZVCMMLN-RBUKOAKNSA-N 2 2 309.542 3.305 20 30 DGEDLP CCn1c[nH+]cc1C[NH2+]CC#Cc1ccc(C(F)(F)F)cc1 ZINC000417966342 434557183 /nfs/dbraw/zinc/55/71/83/434557183.db2.gz JEUZHCTYXQGUFD-UHFFFAOYSA-N 2 2 307.319 3.063 20 30 DGEDLP C#Cc1ccc(C[NH2+]C2CC[NH+]([C@@H](C)c3ccncc3)CC2)cc1 ZINC000368029181 434563091 /nfs/dbraw/zinc/56/30/91/434563091.db2.gz IHJKPZAFFPEAFI-KRWDZBQOSA-N 2 2 319.452 3.378 20 30 DGEDLP COc1cc(C[NH2+]C[C@H](c2ccc(C)cc2)[NH+](C)C)ccc1C#N ZINC000440805910 434744505 /nfs/dbraw/zinc/74/45/05/434744505.db2.gz QFROSNNAQDZJMN-LJQANCHMSA-N 2 2 323.440 3.268 20 30 DGEDLP C#CC[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)nc1)c1ccccc1 ZINC000372301598 434820352 /nfs/dbraw/zinc/82/03/52/434820352.db2.gz KLFFBHLDAPOHEK-SFHVURJKSA-N 2 2 302.381 3.122 20 30 DGEDLP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+]CCc1cccc(C#N)c1 ZINC000466425300 435075790 /nfs/dbraw/zinc/07/57/90/435075790.db2.gz MIRBKYXYXYOKTF-LAUBAEHRSA-N 2 2 319.452 3.211 20 30 DGEDLP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+]CCc1cccc(C#N)c1 ZINC000466425300 435075794 /nfs/dbraw/zinc/07/57/94/435075794.db2.gz MIRBKYXYXYOKTF-LAUBAEHRSA-N 2 2 319.452 3.211 20 30 DGEDLP C=CC[NH+]1CCC([NH2+]Cc2cc(Cl)cc(Cl)c2N)CC1 ZINC000638524635 435047282 /nfs/dbraw/zinc/04/72/82/435047282.db2.gz QDOFYQVHTTWFII-UHFFFAOYSA-N 2 2 314.260 3.316 20 30 DGEDLP Cn1cc[nH+]c1[C@H]1CC[N@H+](Cc2ccccc2C(C)(C)C#N)C1 ZINC000536996299 435421202 /nfs/dbraw/zinc/42/12/02/435421202.db2.gz SLWBTXAAXSIBOU-INIZCTEOSA-N 2 2 308.429 3.211 20 30 DGEDLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](Cc2ccccc2C(C)(C)C#N)C1 ZINC000536996299 435421205 /nfs/dbraw/zinc/42/12/05/435421205.db2.gz SLWBTXAAXSIBOU-INIZCTEOSA-N 2 2 308.429 3.211 20 30 DGEDLP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](Cc2ccc(C#N)cn2)C1 ZINC000516702099 435547239 /nfs/dbraw/zinc/54/72/39/435547239.db2.gz KUUXISYJOHSTHO-SJLPKXTDSA-N 2 2 312.461 3.040 20 30 DGEDLP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](Cc2ccc(C#N)cn2)C1 ZINC000516702099 435547243 /nfs/dbraw/zinc/54/72/43/435547243.db2.gz KUUXISYJOHSTHO-SJLPKXTDSA-N 2 2 312.461 3.040 20 30 DGEDLP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](Cc2ccc(C#N)cn2)C1 ZINC000516702099 435547244 /nfs/dbraw/zinc/54/72/44/435547244.db2.gz KUUXISYJOHSTHO-SJLPKXTDSA-N 2 2 312.461 3.040 20 30 DGEDLP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](Cc2ccc(C#N)cn2)C1 ZINC000516702099 435547247 /nfs/dbraw/zinc/54/72/47/435547247.db2.gz KUUXISYJOHSTHO-SJLPKXTDSA-N 2 2 312.461 3.040 20 30 DGEDLP C=CC[C@H]1CC[C@@H]([NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000651681935 435791045 /nfs/dbraw/zinc/79/10/45/435791045.db2.gz GEEXCWCTKVDONC-FXAWDEMLSA-N 2 2 314.473 3.353 20 30 DGEDLP C=CC[NH+]1CCC([NH2+]Cc2cn(CC)nc2-c2ccccc2)CC1 ZINC000641719244 435799613 /nfs/dbraw/zinc/79/96/13/435799613.db2.gz NIQQZIIREDOMAA-UHFFFAOYSA-N 2 2 324.472 3.310 20 30 DGEDLP C#C[C@H]([NH2+]C1CC[NH+](CC2CC2)CC1)c1ccc(Cl)cc1 ZINC000491514902 435764072 /nfs/dbraw/zinc/76/40/72/435764072.db2.gz KPRLROLPFVKSNQ-SFHVURJKSA-N 2 2 302.849 3.478 20 30 DGEDLP C=CCOCC[NH+]1CCC(n2c3ccccc3[nH+]c2CC)CC1 ZINC000293792132 335117555 /nfs/dbraw/zinc/11/75/55/335117555.db2.gz MPYWNDQTDHAAFS-UHFFFAOYSA-N 2 2 313.445 3.438 20 30 DGEDLP C=CCC(C)(C)C[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000340427798 527019205 /nfs/dbraw/zinc/01/92/05/527019205.db2.gz SUIFRBZUYBVZJD-AEFFLSMTSA-N 2 2 301.478 3.484 20 30 DGEDLP C=CCC(C)(C)C[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000340427798 527019209 /nfs/dbraw/zinc/01/92/09/527019209.db2.gz SUIFRBZUYBVZJD-AEFFLSMTSA-N 2 2 301.478 3.484 20 30 DGEDLP CC[NH+](CC)[C@H](C[NH2+][C@H]1CC[C@H](C#N)C1)c1cccc(OC)c1 ZINC000442632885 528282605 /nfs/dbraw/zinc/28/26/05/528282605.db2.gz AUFIJQIMQWABFY-VDZJLULYSA-N 2 2 315.461 3.360 20 30 DGEDLP C=C(C)[C@@H]([NH2+]Cc1c[nH+]c(N(C)C)n1C)c1ccc(F)c(F)c1 ZINC000419687466 546804109 /nfs/dbraw/zinc/80/41/09/546804109.db2.gz PTOFNYIMMUHDBT-MRXNPFEDSA-N 2 2 320.387 3.171 20 30 DGEDLP N#Cc1cc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)cs1 ZINC000892235075 617991407 /nfs/dbraw/zinc/99/14/07/617991407.db2.gz KLZMITPAXLHBAW-WMLDXEAASA-N 2 2 301.459 3.068 20 30 DGEDLP N#Cc1cc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)cs1 ZINC000892235075 617991408 /nfs/dbraw/zinc/99/14/08/617991408.db2.gz KLZMITPAXLHBAW-WMLDXEAASA-N 2 2 301.459 3.068 20 30 DGEDLP N#Cc1cc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cs1 ZINC000892235075 617991410 /nfs/dbraw/zinc/99/14/10/617991410.db2.gz KLZMITPAXLHBAW-WMLDXEAASA-N 2 2 301.459 3.068 20 30 DGEDLP N#Cc1cc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cs1 ZINC000892235075 617991412 /nfs/dbraw/zinc/99/14/12/617991412.db2.gz KLZMITPAXLHBAW-WMLDXEAASA-N 2 2 301.459 3.068 20 30 DGEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2ccc(CC(C)C)nc2)CC1 ZINC000892881209 618338704 /nfs/dbraw/zinc/33/87/04/618338704.db2.gz RGTJJZFWUJXCEO-UHFFFAOYSA-N 2 2 301.478 3.410 20 30 DGEDLP N#CC1CCC([NH2+]c2ccc(N3CC[N@@H+]4CCC[C@@H]4C3)cc2)CC1 ZINC000895648079 618810034 /nfs/dbraw/zinc/81/00/34/618810034.db2.gz RLDWRMLQOUEECY-LBXVMSDZSA-N 2 2 324.472 3.465 20 30 DGEDLP N#CC1CCC([NH2+]c2ccc(N3CC[N@H+]4CCC[C@@H]4C3)cc2)CC1 ZINC000895648079 618810036 /nfs/dbraw/zinc/81/00/36/618810036.db2.gz RLDWRMLQOUEECY-LBXVMSDZSA-N 2 2 324.472 3.465 20 30 DGEDLP C=CC[NH+](CC=C)[C@@H](C[NH2+][C@@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21)C(C)C ZINC000902742852 619669135 /nfs/dbraw/zinc/66/91/35/619669135.db2.gz ZILLCYJEROCVCR-AXGBLAMUSA-N 2 2 318.505 3.088 20 30 DGEDLP C=CC[NH+]1CCC([NH2+][C@H]2CCC[C@@H](C3CCOCC3)C2)CC1 ZINC000902795124 619677725 /nfs/dbraw/zinc/67/77/25/619677725.db2.gz ALMHZGPCGPBRHS-MJGOQNOKSA-N 2 2 306.494 3.212 20 30 DGEDLP C[C@H]([NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1cc(C#N)ccn1 ZINC000902975935 619698291 /nfs/dbraw/zinc/69/82/91/619698291.db2.gz LDCCTLUUSCKBAB-LPHOPBHVSA-N 2 2 320.440 3.126 20 30 DGEDLP C[C@H]([NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1cc(C#N)ccn1 ZINC000902975935 619698293 /nfs/dbraw/zinc/69/82/93/619698293.db2.gz LDCCTLUUSCKBAB-LPHOPBHVSA-N 2 2 320.440 3.126 20 30 DGEDLP C(=[NH+]NCC[NH+]1CCCCC1)c1ccc(N2CCCCC2)s1 ZINC000915974616 620610414 /nfs/dbraw/zinc/61/04/14/620610414.db2.gz JJSRYCCVNIWMPG-UHFFFAOYSA-N 2 2 320.506 3.148 20 30 DGEDLP CC[C@@H](C#N)Oc1cccc(C[NH2+]Cc2c[nH+]ccc2N(C)C)c1 ZINC000759153811 621830279 /nfs/dbraw/zinc/83/02/79/621830279.db2.gz MNYAGEOCRJBLFH-KRWDZBQOSA-N 2 2 324.428 3.118 20 30 DGEDLP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@H](C)c2cccc(C#N)c2O)C1 ZINC000866259545 622078003 /nfs/dbraw/zinc/07/80/03/622078003.db2.gz CIURZOLSWIOAIW-HUUCEWRRSA-N 2 2 301.434 3.035 20 30 DGEDLP C[C@H]([NH2+]CC1(C[NH+](C)C)CCCC1)c1cccc(C#N)c1O ZINC000866339098 622097482 /nfs/dbraw/zinc/09/74/82/622097482.db2.gz DNYKWNPJXUGHGW-AWEZNQCLSA-N 2 2 301.434 3.036 20 30 DGEDLP CCOc1ccc(O)c(/C=[NH+]/CC2CC[NH+](C3CC3)CC2)c1 ZINC000772152713 622856875 /nfs/dbraw/zinc/85/68/75/622856875.db2.gz DXGAUWMVLZDQJK-CPNJWEJPSA-N 2 2 302.418 3.084 20 30 DGEDLP CC[NH+]1CCN(c2ccc([NH2+][C@H]3CCC[C@H](C#N)C3)cc2)CC1 ZINC000774270327 623126140 /nfs/dbraw/zinc/12/61/40/623126140.db2.gz DIVOYHCJWZBRFP-WMZOPIPTSA-N 2 2 312.461 3.323 20 30 DGEDLP CSCC[C@@H](C)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000776164453 623386612 /nfs/dbraw/zinc/38/66/12/623386612.db2.gz UDNSLGGUTNEQJZ-OAHLLOKOSA-N 2 2 317.502 3.254 20 30 DGEDLP C[C@H]1CCC[C@@H]([NH+]2CCC([NH2+]Cc3ccc(C#N)cn3)CC2)C1 ZINC000783299438 624336109 /nfs/dbraw/zinc/33/61/09/624336109.db2.gz CDAWFMVPQUICOP-HNAYVOBHSA-N 2 2 312.461 3.086 20 30 DGEDLP C=CCC[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)[C@@H]1CCCO1 ZINC000883178796 625956364 /nfs/dbraw/zinc/95/63/64/625956364.db2.gz FIDOXOFJHPWIJC-OALUTQOASA-N 2 2 311.429 3.476 20 30 DGEDLP C#Cc1ccc(C[NH+]2CCC(Oc3cc[nH+]cc3C)CC2)cc1 ZINC000809655851 626933925 /nfs/dbraw/zinc/93/39/25/626933925.db2.gz RLQXZHDNGOVJSX-UHFFFAOYSA-N 2 2 306.409 3.415 20 30 DGEDLP Cc1[nH]c(C2CC[NH+](Cc3ccc(F)cc3C#N)CC2)[nH+]c1C ZINC000886665889 627184234 /nfs/dbraw/zinc/18/42/34/627184234.db2.gz JAPPSBPVHJZNBH-UHFFFAOYSA-N 2 2 312.392 3.417 20 30 DGEDLP C#CC[N@H+](C)CCC[NH2+][C@@H]1CCCOc2ccc(Cl)cc21 ZINC000815651923 627694845 /nfs/dbraw/zinc/69/48/45/627694845.db2.gz IVQRXKGODNQZAY-MRXNPFEDSA-N 2 2 306.837 3.098 20 30 DGEDLP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CCCOc2ccc(Cl)cc21 ZINC000815651923 627694848 /nfs/dbraw/zinc/69/48/48/627694848.db2.gz IVQRXKGODNQZAY-MRXNPFEDSA-N 2 2 306.837 3.098 20 30 DGEDLP c1cn(CCCN=NC2CCCC[C@H]2[NH+]2CCCCCC2)c[nH+]1 ZINC000848418964 631658237 /nfs/dbraw/zinc/65/82/37/631658237.db2.gz WKEGZDZSYOQNBY-GOSISDBHSA-N 2 2 317.481 3.037 20 30 DGEDLP [NH2+]=C(NCCCNc1cccc[nH+]1)Nc1cccc2c1CCCC2 ZINC000178421866 656300520 /nfs/dbraw/zinc/30/05/20/656300520.db2.gz FMKPPOXGFCEHOP-UHFFFAOYSA-N 2 2 323.444 3.189 20 30 DGEDLP CCNC(NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1)=[NH+]CC ZINC000303362376 657530513 /nfs/dbraw/zinc/53/05/13/657530513.db2.gz DCCKDOGJJQKRAJ-INIZCTEOSA-N 2 2 322.884 3.052 20 30 DGEDLP Cc1cc(C)cc(NC(=[NH2+])NCC[N@@H+](C)Cc2ccccc2)c1 ZINC000303900347 657576955 /nfs/dbraw/zinc/57/69/55/657576955.db2.gz WTUQSPVLMBIQBJ-UHFFFAOYSA-N 2 2 310.445 3.162 20 30 DGEDLP Cc1cc(C)cc(NC(=[NH2+])NCC[N@H+](C)Cc2ccccc2)c1 ZINC000303900347 657576960 /nfs/dbraw/zinc/57/69/60/657576960.db2.gz WTUQSPVLMBIQBJ-UHFFFAOYSA-N 2 2 310.445 3.162 20 30 DGEDLP C[NH+](C)[C@H](CNC(=[NH2+])NC1CCCCCC1)c1ccc(F)cc1 ZINC000305747984 657735561 /nfs/dbraw/zinc/73/55/61/657735561.db2.gz UAYQZSVHGJTAJS-QGZVFWFLSA-N 2 2 320.456 3.056 20 30 DGEDLP C=C(Br)C[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000037681020 662215147 /nfs/dbraw/zinc/21/51/47/662215147.db2.gz FKHQNRJEIUMDGL-UHFFFAOYSA-N 2 2 309.251 3.149 20 30 DGEDLP Cc1cc([NH2+]C[C@@H](C)CCC#N)ccc1N1CC[NH+](C)CC1 ZINC001331042715 1178121990 /nfs/dbraw/zinc/12/19/90/1178121990.db2.gz QRMSAXJBYSMHNO-HNNXBMFYSA-N 2 2 300.450 3.099 20 30 DGEDLP C#CCOc1ccc(C[NH2+][C@@H](CC(C)C)C[NH+]2CCCC2)cc1 ZINC001474155323 1181582936 /nfs/dbraw/zinc/58/29/36/1181582936.db2.gz HMHLCSMVKPTJJE-IBGZPJMESA-N 2 2 314.473 3.299 20 30 DGEDLP C=CCC[NH2+]C[C@@]1(C)CCN(C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001500364597 1185780169 /nfs/dbraw/zinc/78/01/69/1185780169.db2.gz WBQREBHXWNQOPT-LJQANCHMSA-N 2 2 315.461 3.025 20 30 DGEDLP C=C(C)CC[NH2+]C[C@@H]1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001567132444 1190036820 /nfs/dbraw/zinc/03/68/20/1190036820.db2.gz FBPLSUOBAKLQRL-KRWDZBQOSA-N 2 2 315.461 3.025 20 30 DGEDLP C=CC[NH+]1CCC(C)(CNC(=O)c2c(C)cc(C)[nH+]c2C)CC1 ZINC001569703423 1190743161 /nfs/dbraw/zinc/74/31/61/1190743161.db2.gz QVYBJKJJDMXEPK-UHFFFAOYSA-N 2 2 315.461 3.025 20 30 DGEDLP C(#Cc1ccccc1)C[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC001653014713 1195679833 /nfs/dbraw/zinc/67/98/33/1195679833.db2.gz OISWDMRDZCWQQF-HXUWFJFHSA-N 2 2 301.393 3.266 20 30 DGEDLP C=CCOCCC[NH2+][C@@H]1CC[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001659674862 1196405389 /nfs/dbraw/zinc/40/53/89/1196405389.db2.gz XOVJNWMOFYCKAE-PKOBYXMFSA-N 2 2 302.462 3.222 20 30 DGEDLP C=CCOCCC[NH2+][C@@H]1CC[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC001659674862 1196405391 /nfs/dbraw/zinc/40/53/91/1196405391.db2.gz XOVJNWMOFYCKAE-PKOBYXMFSA-N 2 2 302.462 3.222 20 30 DGEDLP C=CCCC[NH2+][C@H](C)CN(C)C(=O)c1c(C)cc(C)[nH+]c1C ZINC001700761993 1202349991 /nfs/dbraw/zinc/34/99/91/1202349991.db2.gz YRZXEOALWMSQPC-OAHLLOKOSA-N 2 2 303.450 3.023 20 30 DGEDLP C=CCC[C@@H](C)[NH2+]CCN(C)C(=O)c1c(C)cc(C)[nH+]c1C ZINC001714735117 1203113773 /nfs/dbraw/zinc/11/37/73/1203113773.db2.gz IGHLJKSIIAINCB-CQSZACIVSA-N 2 2 303.450 3.023 20 30 DGEDLP C=CCC[NH2+][C@H]1CC[C@H](NC(=O)c2c(C)cc(C)[nH+]c2C)CC1 ZINC001715185823 1203291820 /nfs/dbraw/zinc/29/18/20/1203291820.db2.gz QFTXDIYGBALFRQ-QAQDUYKDSA-N 2 2 315.461 3.214 20 30 DGEDLP CCCCCCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CCc1[nH]cc[nH+]1 ZINC001134227392 1083258443 /nfs/dbraw/zinc/25/84/43/1083258443.db2.gz GKJCVYHONQMVKH-JKSUJKDBSA-N 2 2 322.497 3.186 20 30 DGEDLP C=CCCC[NH2+][C@@H](CNC(=O)c1c(C)cc(C)[nH+]c1C)C(C)C ZINC001268219067 1084345967 /nfs/dbraw/zinc/34/59/67/1084345967.db2.gz HGNCNBMOLGCKKO-KRWDZBQOSA-N 2 2 317.477 3.317 20 30 DGEDLP N#Cc1ccc2cc[nH+]c(N[C@@H]3CC[NH2+]C[C@H]3C(F)(F)F)c2c1 ZINC001160739756 1088939157 /nfs/dbraw/zinc/93/91/57/1088939157.db2.gz YGWKVXTWOGJPHO-ZIAGYGMSSA-N 2 2 320.318 3.059 20 30 DGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@@H]3CCCC[C@@H]3F)CC2)cc1 ZINC001203314589 1090719343 /nfs/dbraw/zinc/71/93/43/1090719343.db2.gz SCFYZJHOYCKRRN-RBUKOAKNSA-N 2 2 315.436 3.393 20 30 DGEDLP Cc1c[nH+]ccc1O[C@H]1CC[N@H+](CCCc2ccc(C#N)cc2)C1 ZINC001208864303 1092551669 /nfs/dbraw/zinc/55/16/69/1092551669.db2.gz OTSAWZAJXRFPOH-IBGZPJMESA-N 2 2 321.424 3.348 20 30 DGEDLP Cc1c[nH+]ccc1O[C@H]1CC[N@@H+](CCCc2ccc(C#N)cc2)C1 ZINC001208864303 1092551681 /nfs/dbraw/zinc/55/16/81/1092551681.db2.gz OTSAWZAJXRFPOH-IBGZPJMESA-N 2 2 321.424 3.348 20 30 DGEDLP C[NH+]1CCC([N@H+](CCc2ccc(C#N)cc2)C2CCCC2)CC1 ZINC001208929082 1092589894 /nfs/dbraw/zinc/58/98/94/1092589894.db2.gz NGWHNMMRWFLFIH-UHFFFAOYSA-N 2 2 311.473 3.440 20 30 DGEDLP C[NH+]1CCC([N@@H+](CCc2ccc(C#N)cc2)C2CCCC2)CC1 ZINC001208929082 1092589907 /nfs/dbraw/zinc/58/99/07/1092589907.db2.gz NGWHNMMRWFLFIH-UHFFFAOYSA-N 2 2 311.473 3.440 20 30 DGEDLP C=CCC[NH2+][C@H](C)C[C@@H](C)NC(=O)c1c(C)cc(C)[nH+]c1C ZINC001135044182 1094377590 /nfs/dbraw/zinc/37/75/90/1094377590.db2.gz PZSCUNWLQCQJSS-UKRRQHHQSA-N 2 2 303.450 3.069 20 30 DGEDLP C=CC[NH2+]C1(CNC(=O)c2c(C)cc(C)[nH+]c2C)CCCCC1 ZINC001115640916 1095315240 /nfs/dbraw/zinc/31/52/40/1095315240.db2.gz UZJKCPIBGWEVGX-UHFFFAOYSA-N 2 2 315.461 3.215 20 30 DGEDLP C[N@H+](Cc1cncc(C#N)c1)C1CC[NH+](C2CCCCC2)CC1 ZINC001144085658 1095498795 /nfs/dbraw/zinc/49/87/95/1095498795.db2.gz AFSMQLFWNGRTQD-UHFFFAOYSA-N 2 2 312.461 3.182 20 30 DGEDLP C[N@@H+](Cc1cncc(C#N)c1)C1CC[NH+](C2CCCCC2)CC1 ZINC001144085658 1095498800 /nfs/dbraw/zinc/49/88/00/1095498800.db2.gz AFSMQLFWNGRTQD-UHFFFAOYSA-N 2 2 312.461 3.182 20 30 DGEDLP C[C@@H](Cc1cccc(C#N)c1)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001171178597 1095651727 /nfs/dbraw/zinc/65/17/27/1095651727.db2.gz HUNKPTSHTLZJFK-INIZCTEOSA-N 2 2 316.408 3.465 20 30 DGEDLP C[C@@H](Cc1cccc(C#N)c1)N(c1cccc[nH+]1)C1CC[NH2+]CC1 ZINC001171232135 1095867864 /nfs/dbraw/zinc/86/78/64/1095867864.db2.gz PRMOJCIIVIELSL-INIZCTEOSA-N 2 2 320.440 3.143 20 30 DGEDLP CC1(C#N)CCC(N(c2cc[nH+]cc2F)C2CC[NH2+]CC2)CC1 ZINC001173597383 1097468203 /nfs/dbraw/zinc/46/82/03/1097468203.db2.gz RBZDLOSHLHONJX-UHFFFAOYSA-N 2 2 316.424 3.252 20 30 DGEDLP N#Cc1ccc2c(C[N@@H+]3CCCC[C@]34CCC[NH2+]C4)c[nH]c2c1 ZINC001235168750 1098850324 /nfs/dbraw/zinc/85/03/24/1098850324.db2.gz UAUGLGVBGHIWQT-LJQANCHMSA-N 2 2 308.429 3.148 20 30 DGEDLP N#Cc1ccc2c(C[N@H+]3CCCC[C@]34CCC[NH2+]C4)c[nH]c2c1 ZINC001235168750 1098850334 /nfs/dbraw/zinc/85/03/34/1098850334.db2.gz UAUGLGVBGHIWQT-LJQANCHMSA-N 2 2 308.429 3.148 20 30 DGEDLP N#Cc1ccc(C[N@@H+]2CCC[C@]23C[NH2+]C[C@@H]3c2ccccc2)cc1 ZINC001235249016 1098922503 /nfs/dbraw/zinc/92/25/03/1098922503.db2.gz HUEVHHFLMOQSDY-NHCUHLMSSA-N 2 2 317.436 3.280 20 30 DGEDLP N#Cc1ccc(C[N@H+]2CCC[C@]23C[NH2+]C[C@@H]3c2ccccc2)cc1 ZINC001235249016 1098922508 /nfs/dbraw/zinc/92/25/08/1098922508.db2.gz HUEVHHFLMOQSDY-NHCUHLMSSA-N 2 2 317.436 3.280 20 30 DGEDLP C(#Cc1ccccc1)c1ccc(C[N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)s1 ZINC001235267722 1098937064 /nfs/dbraw/zinc/93/70/64/1098937064.db2.gz IGSWFZHRAKLTQZ-FXAWDEMLSA-N 2 2 322.477 3.332 20 30 DGEDLP C(#Cc1ccccc1)c1ccc(C[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)s1 ZINC001235267722 1098937072 /nfs/dbraw/zinc/93/70/72/1098937072.db2.gz IGSWFZHRAKLTQZ-FXAWDEMLSA-N 2 2 322.477 3.332 20 30 DGEDLP N#Cc1ccc(C[N@H+](C[C@H]2CCC[NH2+]C2)C2CCCC2)c(O)c1 ZINC001236374600 1099559850 /nfs/dbraw/zinc/55/98/50/1099559850.db2.gz DXBDPBFJOMHTIO-INIZCTEOSA-N 2 2 313.445 3.008 20 30 DGEDLP N#Cc1ccc(C[N@@H+](C[C@H]2CCC[NH2+]C2)C2CCCC2)c(O)c1 ZINC001236374600 1099559860 /nfs/dbraw/zinc/55/98/60/1099559860.db2.gz DXBDPBFJOMHTIO-INIZCTEOSA-N 2 2 313.445 3.008 20 30 DGEDLP N#Cc1c(Cl)cccc1-c1ccn2c[nH+]c(C3C[NH2+]C3)c2c1 ZINC001244724357 1103655568 /nfs/dbraw/zinc/65/55/68/1103655568.db2.gz MTVFZTXMJLMIQO-UHFFFAOYSA-N 2 2 308.772 3.213 20 30 DGEDLP N#Cc1c(Cl)cccc1-c1cccc(C[N@H+]2CC[C@@H]([NH3+])C2)c1 ZINC001244733924 1103657475 /nfs/dbraw/zinc/65/74/75/1103657475.db2.gz ASUSXBFGJDOSIO-OAHLLOKOSA-N 2 2 311.816 3.412 20 30 DGEDLP N#Cc1c(Cl)cccc1-c1cccc(C[N@@H+]2CC[C@@H]([NH3+])C2)c1 ZINC001244733924 1103657486 /nfs/dbraw/zinc/65/74/86/1103657486.db2.gz ASUSXBFGJDOSIO-OAHLLOKOSA-N 2 2 311.816 3.412 20 30 DGEDLP N#Cc1c(Cl)cccc1-c1ccc(C[N@H+]2CC[C@H]([NH3+])C2)cc1 ZINC001244734075 1103657675 /nfs/dbraw/zinc/65/76/75/1103657675.db2.gz DBBCDAPDISMXGV-HNNXBMFYSA-N 2 2 311.816 3.412 20 30 DGEDLP N#Cc1c(Cl)cccc1-c1ccc(C[N@@H+]2CC[C@H]([NH3+])C2)cc1 ZINC001244734075 1103657680 /nfs/dbraw/zinc/65/76/80/1103657680.db2.gz DBBCDAPDISMXGV-HNNXBMFYSA-N 2 2 311.816 3.412 20 30 DGEDLP C=CCCCCCC[C@@H](O)C[NH2+][C@H](C[NH3+])c1cccc(OC)c1 ZINC001246022916 1104354888 /nfs/dbraw/zinc/35/48/88/1104354888.db2.gz YKJXSGMVQWXPAV-IEBWSBKVSA-N 2 2 320.477 3.172 20 30 DGEDLP C=CCC[C@H](O)C[N@H+](Cc1ccccc1Cl)C1CC[NH2+]CC1 ZINC001246069218 1104363411 /nfs/dbraw/zinc/36/34/11/1104363411.db2.gz MEYMLERBPAPUEP-KRWDZBQOSA-N 2 2 322.880 3.221 20 30 DGEDLP C=CCC[C@H](O)C[N@@H+](Cc1ccccc1Cl)C1CC[NH2+]CC1 ZINC001246069218 1104363424 /nfs/dbraw/zinc/36/34/24/1104363424.db2.gz MEYMLERBPAPUEP-KRWDZBQOSA-N 2 2 322.880 3.221 20 30 DGEDLP CCCCCCC[N@@H+]1CC[C@H]2[C@@H]1CCN2CCn1cc[nH+]c1 ZINC001275131421 1104644787 /nfs/dbraw/zinc/64/47/87/1104644787.db2.gz RKKQKISREPMSGS-ROUUACIJSA-N 2 2 304.482 3.002 20 30 DGEDLP CCCCCCC[N@H+]1CC[C@H]2[C@@H]1CCN2CCn1cc[nH+]c1 ZINC001275131421 1104644789 /nfs/dbraw/zinc/64/47/89/1104644789.db2.gz RKKQKISREPMSGS-ROUUACIJSA-N 2 2 304.482 3.002 20 30 DGEDLP CCCCCCC[C@H](CC)[N@@H+]1CC[C@@]2(C(=O)OC)CC[NH2+][C@@H]2C1 ZINC001246986253 1104763829 /nfs/dbraw/zinc/76/38/29/1104763829.db2.gz JTNLHPDNGDNBLF-SCTDSRPQSA-N 2 2 324.509 3.353 20 30 DGEDLP CCCCCCC[C@H](CC)[N@H+]1CC[C@@]2(C(=O)OC)CC[NH2+][C@@H]2C1 ZINC001246986253 1104763836 /nfs/dbraw/zinc/76/38/36/1104763836.db2.gz JTNLHPDNGDNBLF-SCTDSRPQSA-N 2 2 324.509 3.353 20 30 DGEDLP N#C[C@@H]1CC[C@H]([NH+]2CCC([NH3+])(c3ccc(Cl)cc3)CC2)C1 ZINC001254646557 1106120732 /nfs/dbraw/zinc/12/07/32/1106120732.db2.gz BHVVCCSNDUVCQY-CJNGLKHVSA-N 2 2 303.837 3.282 20 30 DGEDLP C[N@H+](Cc1cccc(F)c1)C1CC[NH+]([C@@H]2CC[C@H](C#N)C2)CC1 ZINC001254673963 1106130389 /nfs/dbraw/zinc/13/03/89/1106130389.db2.gz RTOVANSREVLDPP-HNAYVOBHSA-N 2 2 315.436 3.414 20 30 DGEDLP C[N@@H+](Cc1cccc(F)c1)C1CC[NH+]([C@@H]2CC[C@H](C#N)C2)CC1 ZINC001254673963 1106130391 /nfs/dbraw/zinc/13/03/91/1106130391.db2.gz RTOVANSREVLDPP-HNAYVOBHSA-N 2 2 315.436 3.414 20 30 DGEDLP N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH+](Cc2ccccc2)CC1 ZINC001256609590 1106453705 /nfs/dbraw/zinc/45/37/05/1106453705.db2.gz OVEVOQDWRORBFB-VJDPLVQDSA-N 2 2 309.457 3.418 20 30 DGEDLP N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH+](Cc2ccccc2)CC1 ZINC001256609590 1106453710 /nfs/dbraw/zinc/45/37/10/1106453710.db2.gz OVEVOQDWRORBFB-VJDPLVQDSA-N 2 2 309.457 3.418 20 30 DGEDLP C=C1C[C@@H]2CC([N@H+]3CCO[C@H](C[NH+](CC)CC)C3)C[C@H](C1)C2 ZINC001257894139 1106642085 /nfs/dbraw/zinc/64/20/85/1106642085.db2.gz KUFXJBZYWWTQDC-ZZJWQFMZSA-N 2 2 306.494 3.164 20 30 DGEDLP C=C1C[C@@H]2CC([N@@H+]3CCO[C@H](C[NH+](CC)CC)C3)C[C@H](C1)C2 ZINC001257894139 1106642087 /nfs/dbraw/zinc/64/20/87/1106642087.db2.gz KUFXJBZYWWTQDC-ZZJWQFMZSA-N 2 2 306.494 3.164 20 30 DGEDLP C=CCC[C@H](C)N(c1cccc[nH+]1)[C@@H]1COC2(C1)CC[NH2+]CC2 ZINC001258727051 1106930291 /nfs/dbraw/zinc/93/02/91/1106930291.db2.gz AZXCZWQBFRCEFV-IRXDYDNUSA-N 2 2 315.461 3.154 20 30 DGEDLP C=CCC[C@H](C)[N@@H+]1CC[C@H]2[C@H](CC[NH+]2Cc2nccs2)C1 ZINC001258727544 1106932656 /nfs/dbraw/zinc/93/26/56/1106932656.db2.gz GHWYXPYFGLUDNA-XHSDSOJGSA-N 2 2 305.491 3.394 20 30 DGEDLP C=CCC[C@H](C)[N@H+]1CC[C@H]2[C@H](CC[NH+]2Cc2nccs2)C1 ZINC001258727544 1106932667 /nfs/dbraw/zinc/93/26/67/1106932667.db2.gz GHWYXPYFGLUDNA-XHSDSOJGSA-N 2 2 305.491 3.394 20 30 DGEDLP C=CCC[C@H](C)[NH+]1CC[C@H]2[C@H](CC[N@@H+]2Cc2nccs2)C1 ZINC001258727544 1106932680 /nfs/dbraw/zinc/93/26/80/1106932680.db2.gz GHWYXPYFGLUDNA-XHSDSOJGSA-N 2 2 305.491 3.394 20 30 DGEDLP C=CCC[C@H](C)[NH+]1CC[C@H]2[C@H](CC[N@H+]2Cc2nccs2)C1 ZINC001258727544 1106932699 /nfs/dbraw/zinc/93/26/99/1106932699.db2.gz GHWYXPYFGLUDNA-XHSDSOJGSA-N 2 2 305.491 3.394 20 30 DGEDLP C=CCC[C@H](C)[NH2+]CC[C@@H](C)NC(=O)c1c(C)cc(C)[nH+]c1C ZINC001320502813 1107031846 /nfs/dbraw/zinc/03/18/46/1107031846.db2.gz RWNZULILTBUGOZ-LSDHHAIUSA-N 2 2 317.477 3.460 20 30 DGEDLP C=CCCC[NH2+][C@H]1C[C@@H](CNC(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001264398429 1108507216 /nfs/dbraw/zinc/50/72/16/1108507216.db2.gz LWWIQJGGSSKCEL-CALCHBBNSA-N 2 2 315.461 3.071 20 30 DGEDLP Cc1ccc(C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)cc1C#N ZINC001308517833 1111436712 /nfs/dbraw/zinc/43/67/12/1111436712.db2.gz RGVRQVHWYNGIDF-UHFFFAOYSA-N 2 2 302.381 3.342 20 30 DGEDLP CC[NH+](CC)CCC[N@H+](CC)Cc1cc(C#N)ccc1N(C)C ZINC001308744450 1111469337 /nfs/dbraw/zinc/46/93/37/1111469337.db2.gz GIFICGVGPXYIIU-UHFFFAOYSA-N 2 2 316.493 3.178 20 30 DGEDLP CC[NH+](CC)CCC[N@@H+](CC)Cc1cc(C#N)ccc1N(C)C ZINC001308744450 1111469339 /nfs/dbraw/zinc/46/93/39/1111469339.db2.gz GIFICGVGPXYIIU-UHFFFAOYSA-N 2 2 316.493 3.178 20 30 DGEDLP C=C(Cl)COc1ccc([C@@H](C)[NH2+]CCn2cc[nH+]c2)cc1 ZINC000155754115 186109693 /nfs/dbraw/zinc/10/96/93/186109693.db2.gz AZRRLKUCUWPIHK-CQSZACIVSA-N 2 2 305.809 3.365 20 30 DGEDLP C[C@@H]([NH2+]C1CC[NH+](Cc2ccncc2)CC1)c1ccc(C#N)cc1 ZINC000173964044 198273978 /nfs/dbraw/zinc/27/39/78/198273978.db2.gz YJPLFBBTYNGJMQ-MRXNPFEDSA-N 2 2 320.440 3.268 20 30 DGEDLP COc1ccc([C@@H]([NH2+]CC(C)(C)CC#N)[C@@H]2CCC[NH2+]2)cc1 ZINC000423172427 237829658 /nfs/dbraw/zinc/82/96/58/237829658.db2.gz SXGBZXPWMGVPKU-DLBZAZTESA-N 2 2 301.434 3.018 20 30 DGEDLP C=CC[NH+](CC=C)[C@@H](C[NH2+][C@H]1CCOC2(CCC2)C1)C(C)C ZINC000449074625 240005319 /nfs/dbraw/zinc/00/53/19/240005319.db2.gz LAIIDAZAQANRPR-ROUUACIJSA-N 2 2 306.494 3.376 20 30 DGEDLP Cc1cc(C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)ccn1 ZINC000449405137 240178957 /nfs/dbraw/zinc/17/89/57/240178957.db2.gz XMENIDZXIDQVSB-UHFFFAOYSA-N 2 2 320.440 3.016 20 30 DGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@@H]3C[C@H]3C(F)(F)F)CC2)cc1 ZINC000601158748 400252359 /nfs/dbraw/zinc/25/23/59/400252359.db2.gz CXOBRDVUJVTQDS-HZPDHXFCSA-N 2 2 323.362 3.063 20 30 DGEDLP Cc1ccc(CCC[N@@H+](C)CCOCc2ccc(C#N)cc2)c[nH+]1 ZINC000589210474 400279101 /nfs/dbraw/zinc/27/91/01/400279101.db2.gz BGAXTLZJIYNWHO-UHFFFAOYSA-N 2 2 323.440 3.343 20 30 DGEDLP Cc1ccc(CCC[N@H+](C)CCOCc2ccc(C#N)cc2)c[nH+]1 ZINC000589210474 400279103 /nfs/dbraw/zinc/27/91/03/400279103.db2.gz BGAXTLZJIYNWHO-UHFFFAOYSA-N 2 2 323.440 3.343 20 30 DGEDLP C[C@@]1(C#N)CC[N@H+](Cc2ccccc2C[NH+]2CC[C@](C)(C#N)C2)C1 ZINC000595845287 400280655 /nfs/dbraw/zinc/28/06/55/400280655.db2.gz ZNFAFGQBQRMEPV-BGYRXZFFSA-N 2 2 322.456 3.158 20 30 DGEDLP C[C@@]1(C#N)CC[N@@H+](Cc2ccccc2C[NH+]2CC[C@](C)(C#N)C2)C1 ZINC000595845287 400280663 /nfs/dbraw/zinc/28/06/63/400280663.db2.gz ZNFAFGQBQRMEPV-BGYRXZFFSA-N 2 2 322.456 3.158 20 30 DGEDLP C[C@@]1(C#N)CC[NH+](Cc2ccccc2C[N@@H+]2CC[C@](C)(C#N)C2)C1 ZINC000595845287 400280666 /nfs/dbraw/zinc/28/06/66/400280666.db2.gz ZNFAFGQBQRMEPV-BGYRXZFFSA-N 2 2 322.456 3.158 20 30 DGEDLP C[C@@]1(C#N)CC[NH+](Cc2ccccc2C[N@H+]2CC[C@](C)(C#N)C2)C1 ZINC000595845287 400280672 /nfs/dbraw/zinc/28/06/72/400280672.db2.gz ZNFAFGQBQRMEPV-BGYRXZFFSA-N 2 2 322.456 3.158 20 30 DGEDLP Cc1cc(N2CCC([NH2+]Cc3ccccc3)CC2)c(C#N)c[nH+]1 ZINC000596249854 400360069 /nfs/dbraw/zinc/36/00/69/400360069.db2.gz BGSQSJGTDQCRJT-UHFFFAOYSA-N 2 2 306.413 3.020 20 30 DGEDLP Cc1cc(N2CC[NH+](C)CC2)ccc1[NH2+]C[C@H](C)CCC#N ZINC000602494526 400479249 /nfs/dbraw/zinc/47/92/49/400479249.db2.gz POIPSEKYEHIJDK-OAHLLOKOSA-N 2 2 300.450 3.099 20 30 DGEDLP COc1cccc([C@@H](C[NH2+]C[C@@H](C)CCC#N)[NH+]2CCCC2)c1 ZINC000602501402 400481388 /nfs/dbraw/zinc/48/13/88/400481388.db2.gz GZIGKQPZKQZGMV-QFBILLFUSA-N 2 2 315.461 3.362 20 30 DGEDLP Cc1cccn2c(C[NH2+][C@H]3CCc4cc(C#N)ccc43)c[nH+]c12 ZINC000618742234 400680473 /nfs/dbraw/zinc/68/04/73/400680473.db2.gz UKOVLNPXVUAKCB-SFHVURJKSA-N 2 2 302.381 3.292 20 30 DGEDLP C[C@H]([NH2+]C1CC[NH+](Cc2cccc(C#N)c2)CC1)c1ccncc1 ZINC000593183537 400784464 /nfs/dbraw/zinc/78/44/64/400784464.db2.gz AUFDWZYVHUFRET-INIZCTEOSA-N 2 2 320.440 3.268 20 30 DGEDLP N#Cc1cccc(C[NH+]2CCC([NH2+][C@H]3CCCSC3)CC2)c1 ZINC000593693372 400892834 /nfs/dbraw/zinc/89/28/34/400892834.db2.gz WMOXLRUDJZMHPD-SFHVURJKSA-N 2 2 315.486 3.008 20 30 DGEDLP N#Cc1cccc(C[NH+]2CCC([NH2+]C3CC4(CCC4)C3)CC2)c1 ZINC000593695281 400893558 /nfs/dbraw/zinc/89/35/58/400893558.db2.gz JHNVKWHXEBUGEP-UHFFFAOYSA-N 2 2 309.457 3.445 20 30 DGEDLP C[C@@H]([NH2+]C1CC[NH+](Cc2cccc(C#N)c2)CC1)c1ccco1 ZINC000593721055 400899346 /nfs/dbraw/zinc/89/93/46/400899346.db2.gz JPRHJVGBRYHXGN-OAHLLOKOSA-N 2 2 309.413 3.466 20 30 DGEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CCCOc3c(OC)cccc32)CC1 ZINC000631580593 401504912 /nfs/dbraw/zinc/50/49/12/401504912.db2.gz MMJWBGFQARUXJF-QGZVFWFLSA-N 2 2 316.445 3.149 20 30 DGEDLP COc1ccc(C#N)cc1C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000131314316 196160199 /nfs/dbraw/zinc/16/01/99/196160199.db2.gz RVOIIQYJHZMMTR-SFHVURJKSA-N 2 2 313.445 3.017 20 30 DGEDLP COc1ccc(C#N)cc1C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000131314316 196160201 /nfs/dbraw/zinc/16/02/01/196160201.db2.gz RVOIIQYJHZMMTR-SFHVURJKSA-N 2 2 313.445 3.017 20 30 DGEDLP Cc1cc(C)c(NC(=O)NC[C@H](C)[NH+]2CCC(C)CC2)c(C)[nH+]1 ZINC000331288467 229028153 /nfs/dbraw/zinc/02/81/53/229028153.db2.gz APLOOWAYIRDVHB-HNNXBMFYSA-N 2 2 318.465 3.453 20 30 DGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]CC3(C(F)F)CC3)CC2)cc1 ZINC000361425479 270004645 /nfs/dbraw/zinc/00/46/45/270004645.db2.gz GXSDQHZEOVCQMC-UHFFFAOYSA-N 2 2 319.399 3.158 20 30 DGEDLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cn3ccccc3c2C#N)C[C@H]1C ZINC000354221307 266152756 /nfs/dbraw/zinc/15/27/56/266152756.db2.gz JBIFQEULIJZGLQ-NVXWUHKLSA-N 2 2 310.445 3.116 20 30 DGEDLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cn3ccccc3c2C#N)C[C@H]1C ZINC000354221307 266152758 /nfs/dbraw/zinc/15/27/58/266152758.db2.gz JBIFQEULIJZGLQ-NVXWUHKLSA-N 2 2 310.445 3.116 20 30 DGEDLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cn3ccccc3c2C#N)C[C@H]1C ZINC000354221307 266152761 /nfs/dbraw/zinc/15/27/61/266152761.db2.gz JBIFQEULIJZGLQ-NVXWUHKLSA-N 2 2 310.445 3.116 20 30 DGEDLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cn3ccccc3c2C#N)C[C@H]1C ZINC000354221307 266152763 /nfs/dbraw/zinc/15/27/63/266152763.db2.gz JBIFQEULIJZGLQ-NVXWUHKLSA-N 2 2 310.445 3.116 20 30 DGEDLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cn3ccccc3c2C#N)C[C@@H]1C ZINC000354221309 266154696 /nfs/dbraw/zinc/15/46/96/266154696.db2.gz JBIFQEULIJZGLQ-RDJZCZTQSA-N 2 2 310.445 3.116 20 30 DGEDLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cn3ccccc3c2C#N)C[C@@H]1C ZINC000354221309 266154698 /nfs/dbraw/zinc/15/46/98/266154698.db2.gz JBIFQEULIJZGLQ-RDJZCZTQSA-N 2 2 310.445 3.116 20 30 DGEDLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cn3ccccc3c2C#N)C[C@@H]1C ZINC000354221309 266154701 /nfs/dbraw/zinc/15/47/01/266154701.db2.gz JBIFQEULIJZGLQ-RDJZCZTQSA-N 2 2 310.445 3.116 20 30 DGEDLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cn3ccccc3c2C#N)C[C@@H]1C ZINC000354221309 266154704 /nfs/dbraw/zinc/15/47/04/266154704.db2.gz JBIFQEULIJZGLQ-RDJZCZTQSA-N 2 2 310.445 3.116 20 30 DGEDLP Cc1cc(C[NH2+]C2CC[NH+](Cc3ccccn3)CC2)ccc1C#N ZINC000443975050 533687266 /nfs/dbraw/zinc/68/72/66/533687266.db2.gz YBCGVUPNYRXRLE-UHFFFAOYSA-N 2 2 320.440 3.016 20 30 DGEDLP C[C@@H]1C[C@H]([NH2+]Cc2ccc(C#N)c(F)c2)C[N@@H+]1Cc1ccccc1 ZINC000403971893 267091221 /nfs/dbraw/zinc/09/12/21/267091221.db2.gz BWJPUROYPMEHRZ-BEFAXECRSA-N 2 2 323.415 3.450 20 30 DGEDLP C[C@@H]1C[C@H]([NH2+]Cc2ccc(C#N)c(F)c2)C[N@H+]1Cc1ccccc1 ZINC000403971893 267091224 /nfs/dbraw/zinc/09/12/24/267091224.db2.gz BWJPUROYPMEHRZ-BEFAXECRSA-N 2 2 323.415 3.450 20 30 DGEDLP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000404064078 267233981 /nfs/dbraw/zinc/23/39/81/267233981.db2.gz NDLXGKGPWIJLCS-MGPUTAFESA-N 2 2 323.415 3.307 20 30 DGEDLP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000404064078 267233984 /nfs/dbraw/zinc/23/39/84/267233984.db2.gz NDLXGKGPWIJLCS-MGPUTAFESA-N 2 2 323.415 3.307 20 30 DGEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)c2cnn(C(C)(C)C)c2C)CC1 ZINC000191273256 432244625 /nfs/dbraw/zinc/24/46/25/432244625.db2.gz FFKCGSUNPOKQBE-AWEZNQCLSA-N 2 2 304.482 3.248 20 30 DGEDLP N#Cc1ccc(C[N@@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)o1 ZINC000367968082 271104596 /nfs/dbraw/zinc/10/45/96/271104596.db2.gz WNVBYMOTVFKMBI-ZWKOTPCHSA-N 2 2 321.424 3.105 20 30 DGEDLP N#Cc1ccc(C[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)o1 ZINC000367968082 271104601 /nfs/dbraw/zinc/10/46/01/271104601.db2.gz WNVBYMOTVFKMBI-ZWKOTPCHSA-N 2 2 321.424 3.105 20 30 DGEDLP N#Cc1ccc(C[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)o1 ZINC000367968082 271104603 /nfs/dbraw/zinc/10/46/03/271104603.db2.gz WNVBYMOTVFKMBI-ZWKOTPCHSA-N 2 2 321.424 3.105 20 30 DGEDLP N#Cc1ccc(C[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)o1 ZINC000367968082 271104605 /nfs/dbraw/zinc/10/46/05/271104605.db2.gz WNVBYMOTVFKMBI-ZWKOTPCHSA-N 2 2 321.424 3.105 20 30 DGEDLP Cc1cc(C[NH2+]CCCc2[nH]c3ccccc3[nH+]2)ccc1C#N ZINC000443959954 533690126 /nfs/dbraw/zinc/69/01/26/533690126.db2.gz FRQGOSRGKYIWSU-UHFFFAOYSA-N 2 2 304.397 3.465 20 30 DGEDLP CC[C@H]([NH2+]CCC[NH+]1C[C@H](C)O[C@@H](C)C1)c1ccc(C#N)cc1 ZINC000278317389 288040367 /nfs/dbraw/zinc/04/03/67/288040367.db2.gz UQZGQNSJZFNBEQ-BXWFABGCSA-N 2 2 315.461 3.098 20 30 DGEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2nc3c(s2)C[C@H](C)CC3)CC1 ZINC000152579872 432341593 /nfs/dbraw/zinc/34/15/93/432341593.db2.gz UFARISVVGZAOJD-CQSZACIVSA-N 2 2 319.518 3.398 20 30 DGEDLP CC(C)(C[NH2+][C@@H]1CCC[C@H](C#N)C1)[N@@H+]1CCc2ccccc2C1 ZINC000185800884 432533442 /nfs/dbraw/zinc/53/34/42/432533442.db2.gz DBYAEKUMYUNDEZ-QFBILLFUSA-N 2 2 311.473 3.495 20 30 DGEDLP CC(C)(C[NH2+][C@@H]1CCC[C@H](C#N)C1)[N@H+]1CCc2ccccc2C1 ZINC000185800884 432533446 /nfs/dbraw/zinc/53/34/46/432533446.db2.gz DBYAEKUMYUNDEZ-QFBILLFUSA-N 2 2 311.473 3.495 20 30 DGEDLP N#C[C@H]1CCC[C@H]([NH2+]CC2([NH+]3CCSCC3)CCCCC2)C1 ZINC000185825968 432537168 /nfs/dbraw/zinc/53/71/68/432537168.db2.gz GUICCCZDOBSHTK-IRXDYDNUSA-N 2 2 321.534 3.410 20 30 DGEDLP CCC[N@H+](C)C[C@H]1CC[NH+](CC#Cc2ccc(Cl)cc2)C1 ZINC000177354541 432616054 /nfs/dbraw/zinc/61/60/54/432616054.db2.gz XUEKNKHUURUKTA-QGZVFWFLSA-N 2 2 304.865 3.355 20 30 DGEDLP CCC[N@@H+](C)C[C@H]1CC[NH+](CC#Cc2ccc(Cl)cc2)C1 ZINC000177354541 432616058 /nfs/dbraw/zinc/61/60/58/432616058.db2.gz XUEKNKHUURUKTA-QGZVFWFLSA-N 2 2 304.865 3.355 20 30 DGEDLP CCC[NH+](C)C[C@H]1CC[N@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC000177354541 432616063 /nfs/dbraw/zinc/61/60/63/432616063.db2.gz XUEKNKHUURUKTA-QGZVFWFLSA-N 2 2 304.865 3.355 20 30 DGEDLP CCC[NH+](C)C[C@H]1CC[N@@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC000177354541 432616066 /nfs/dbraw/zinc/61/60/66/432616066.db2.gz XUEKNKHUURUKTA-QGZVFWFLSA-N 2 2 304.865 3.355 20 30 DGEDLP O=C(C[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1)NC1CCCCCC1 ZINC000330274326 432902508 /nfs/dbraw/zinc/90/25/08/432902508.db2.gz JXFRQJJSXZMXKS-QGZVFWFLSA-N 2 2 317.433 3.214 20 30 DGEDLP O=C(C[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1)NC1CCCCCC1 ZINC000330274326 432902511 /nfs/dbraw/zinc/90/25/11/432902511.db2.gz JXFRQJJSXZMXKS-QGZVFWFLSA-N 2 2 317.433 3.214 20 30 DGEDLP COc1cc(C[NH2+]CCn2c(C)[nH+]c3ccccc32)ccc1C#N ZINC000281747767 433365773 /nfs/dbraw/zinc/36/57/73/433365773.db2.gz QTXWHZDWRAJTKN-UHFFFAOYSA-N 2 2 320.396 3.015 20 30 DGEDLP C[N@@H+](CC#Cc1ccc(Cl)cc1)CC[C@@H]1CCCC[NH+]1C ZINC000426431296 433494692 /nfs/dbraw/zinc/49/46/92/433494692.db2.gz CYXOPVVLEAOINA-SFHVURJKSA-N 2 2 304.865 3.498 20 30 DGEDLP C[N@H+](CC#Cc1ccc(Cl)cc1)CC[C@@H]1CCCC[NH+]1C ZINC000426431296 433494715 /nfs/dbraw/zinc/49/47/15/433494715.db2.gz CYXOPVVLEAOINA-SFHVURJKSA-N 2 2 304.865 3.498 20 30 DGEDLP C[NH+](CC#Cc1ccc(Cl)cc1)CC[C@@H]1CCCC[N@@H+]1C ZINC000426431296 433494728 /nfs/dbraw/zinc/49/47/28/433494728.db2.gz CYXOPVVLEAOINA-SFHVURJKSA-N 2 2 304.865 3.498 20 30 DGEDLP C[NH+](CC#Cc1ccc(Cl)cc1)CC[C@@H]1CCCC[N@H+]1C ZINC000426431296 433494739 /nfs/dbraw/zinc/49/47/39/433494739.db2.gz CYXOPVVLEAOINA-SFHVURJKSA-N 2 2 304.865 3.498 20 30 DGEDLP C[N@@H+]1CCC[C@@]2(CC[NH+](Cc3ccc(C#N)cc3Cl)C2)C1 ZINC000339431823 433582300 /nfs/dbraw/zinc/58/23/00/433582300.db2.gz DCCDBVMVJBIXLL-QGZVFWFLSA-N 2 2 303.837 3.129 20 30 DGEDLP C[N@H+]1CCC[C@@]2(CC[NH+](Cc3ccc(C#N)cc3Cl)C2)C1 ZINC000339431823 433582308 /nfs/dbraw/zinc/58/23/08/433582308.db2.gz DCCDBVMVJBIXLL-QGZVFWFLSA-N 2 2 303.837 3.129 20 30 DGEDLP C[NH+]1CCC[C@@]2(CC[N@H+](Cc3ccc(C#N)cc3Cl)C2)C1 ZINC000339431823 433582317 /nfs/dbraw/zinc/58/23/17/433582317.db2.gz DCCDBVMVJBIXLL-QGZVFWFLSA-N 2 2 303.837 3.129 20 30 DGEDLP C[NH+]1CCC[C@@]2(CC[N@@H+](Cc3ccc(C#N)cc3Cl)C2)C1 ZINC000339431823 433582331 /nfs/dbraw/zinc/58/23/31/433582331.db2.gz DCCDBVMVJBIXLL-QGZVFWFLSA-N 2 2 303.837 3.129 20 30 DGEDLP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+]CC1CCC(C#N)CC1 ZINC000282525826 433612204 /nfs/dbraw/zinc/61/22/04/433612204.db2.gz YPQFCKYUPSPSKZ-NNZWXOEDSA-N 2 2 311.473 3.426 20 30 DGEDLP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+]CC1CCC(C#N)CC1 ZINC000282525826 433612214 /nfs/dbraw/zinc/61/22/14/433612214.db2.gz YPQFCKYUPSPSKZ-NNZWXOEDSA-N 2 2 311.473 3.426 20 30 DGEDLP C[C@H]([NH2+]CCc1cn2ccccc2[nH+]1)c1ccc(C#N)c(F)c1 ZINC000346223067 434214345 /nfs/dbraw/zinc/21/43/45/434214345.db2.gz WAVJDMKKFUXBQS-ZDUSSCGKSA-N 2 2 308.360 3.238 20 30 DGEDLP CC[N@@H+]1CC[C@@H]([NH+](C)CC#Cc2cccc(Cl)c2)C[C@@H]1C ZINC000437565354 434285629 /nfs/dbraw/zinc/28/56/29/434285629.db2.gz CLTDYOSLJMFANC-MAUKXSAKSA-N 2 2 304.865 3.496 20 30 DGEDLP CC[N@H+]1CC[C@@H]([NH+](C)CC#Cc2cccc(Cl)c2)C[C@@H]1C ZINC000437565354 434285640 /nfs/dbraw/zinc/28/56/40/434285640.db2.gz CLTDYOSLJMFANC-MAUKXSAKSA-N 2 2 304.865 3.496 20 30 DGEDLP CC[NH+]1CC[C@@H]([N@H+](C)CC#Cc2cccc(Cl)c2)C[C@@H]1C ZINC000437565354 434285646 /nfs/dbraw/zinc/28/56/46/434285646.db2.gz CLTDYOSLJMFANC-MAUKXSAKSA-N 2 2 304.865 3.496 20 30 DGEDLP CC[NH+]1CC[C@@H]([N@@H+](C)CC#Cc2cccc(Cl)c2)C[C@@H]1C ZINC000437565354 434285657 /nfs/dbraw/zinc/28/56/57/434285657.db2.gz CLTDYOSLJMFANC-MAUKXSAKSA-N 2 2 304.865 3.496 20 30 DGEDLP CC[C@@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1ccc(C#N)cc1 ZINC000365198108 434290365 /nfs/dbraw/zinc/29/03/65/434290365.db2.gz QEKMWJDJNCZVBT-GOSISDBHSA-N 2 2 308.429 3.374 20 30 DGEDLP C[N@@H+]1CCC[C@H]1C(=O)Nc1ccc2c(c1)[nH+]c1n2CCCCC1 ZINC000329301696 434391493 /nfs/dbraw/zinc/39/14/93/434391493.db2.gz WITRDESRAGFHOB-INIZCTEOSA-N 2 2 312.417 3.445 20 30 DGEDLP C[N@H+]1CCC[C@H]1C(=O)Nc1ccc2c(c1)[nH+]c1n2CCCCC1 ZINC000329301696 434391502 /nfs/dbraw/zinc/39/15/02/434391502.db2.gz WITRDESRAGFHOB-INIZCTEOSA-N 2 2 312.417 3.445 20 30 DGEDLP C=CCC[C@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)c1ccco1 ZINC000287355635 434338278 /nfs/dbraw/zinc/33/82/78/434338278.db2.gz HATRNMJLCAXPRN-IRXDYDNUSA-N 2 2 306.450 3.377 20 30 DGEDLP C=CCC[C@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)c1ccco1 ZINC000287355635 434338284 /nfs/dbraw/zinc/33/82/84/434338284.db2.gz HATRNMJLCAXPRN-IRXDYDNUSA-N 2 2 306.450 3.377 20 30 DGEDLP C=CCC[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)c1ccco1 ZINC000287355633 434340918 /nfs/dbraw/zinc/34/09/18/434340918.db2.gz HATRNMJLCAXPRN-IAGOWNOFSA-N 2 2 306.450 3.377 20 30 DGEDLP C=CCC[C@@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)c1ccco1 ZINC000287355633 434340931 /nfs/dbraw/zinc/34/09/31/434340931.db2.gz HATRNMJLCAXPRN-IAGOWNOFSA-N 2 2 306.450 3.377 20 30 DGEDLP N#Cc1cccc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c1F ZINC000340871482 434406729 /nfs/dbraw/zinc/40/67/29/434406729.db2.gz AGKWVHCUPBPWNJ-CRAIPNDOSA-N 2 2 313.420 3.146 20 30 DGEDLP N#Cc1cccc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c1F ZINC000340871482 434406741 /nfs/dbraw/zinc/40/67/41/434406741.db2.gz AGKWVHCUPBPWNJ-CRAIPNDOSA-N 2 2 313.420 3.146 20 30 DGEDLP N#Cc1cccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1F ZINC000340871482 434406753 /nfs/dbraw/zinc/40/67/53/434406753.db2.gz AGKWVHCUPBPWNJ-CRAIPNDOSA-N 2 2 313.420 3.146 20 30 DGEDLP N#Cc1cccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1F ZINC000340871482 434406762 /nfs/dbraw/zinc/40/67/62/434406762.db2.gz AGKWVHCUPBPWNJ-CRAIPNDOSA-N 2 2 313.420 3.146 20 30 DGEDLP N#Cc1ccc(C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)c(Cl)c1 ZINC000439435189 434603579 /nfs/dbraw/zinc/60/35/79/434603579.db2.gz DIPCGRQGYCVBIZ-OAHLLOKOSA-N 2 2 303.837 3.129 20 30 DGEDLP N#Cc1ccc(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)c(Cl)c1 ZINC000439435189 434603582 /nfs/dbraw/zinc/60/35/82/434603582.db2.gz DIPCGRQGYCVBIZ-OAHLLOKOSA-N 2 2 303.837 3.129 20 30 DGEDLP COc1cc(C[NH2+][C@H](C)[C@@H](c2ccccc2)[NH+](C)C)ccc1C#N ZINC000440645325 434729130 /nfs/dbraw/zinc/72/91/30/434729130.db2.gz LNGDIMSJYCEBHJ-QRWLVFNGSA-N 2 2 323.440 3.348 20 30 DGEDLP C=CC[NH+]1CCC([NH2+][C@H](C)c2ccc(Br)cn2)CC1 ZINC000583599532 435242718 /nfs/dbraw/zinc/24/27/18/435242718.db2.gz JORCIUPEFBDFJQ-GFCCVEGCSA-N 2 2 324.266 3.145 20 30 DGEDLP C=CC[NH+](CC=C)[C@H](C[NH2+][C@@H]1[C@@H]2CCCO[C@H]2C1(C)C)C(C)C ZINC000537297186 435437573 /nfs/dbraw/zinc/43/75/73/435437573.db2.gz OYVKIEPZDGBXNG-WJFTUGDTSA-N 2 2 320.521 3.478 20 30 DGEDLP C#C[C@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)c1ccc(F)cc1 ZINC000491734612 435801163 /nfs/dbraw/zinc/80/11/63/435801163.db2.gz SGDVNATWSGGDEA-SFHVURJKSA-N 2 2 309.388 3.154 20 30 DGEDLP C=CCOc1cccc(C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)c1 ZINC000655857567 435849009 /nfs/dbraw/zinc/84/90/09/435849009.db2.gz WCKVWTVUXPAMRD-MOPGFXCFSA-N 2 2 300.446 3.358 20 30 DGEDLP C=CCOc1cccc(C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)c1 ZINC000655857567 435849017 /nfs/dbraw/zinc/84/90/17/435849017.db2.gz WCKVWTVUXPAMRD-MOPGFXCFSA-N 2 2 300.446 3.358 20 30 DGEDLP C=CCOCCC[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000657657756 436269997 /nfs/dbraw/zinc/26/99/97/436269997.db2.gz BEKAOKUVRNLKCO-SFHVURJKSA-N 2 2 302.462 3.222 20 30 DGEDLP C=CCOCCC[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000657657756 436269998 /nfs/dbraw/zinc/26/99/98/436269998.db2.gz BEKAOKUVRNLKCO-SFHVURJKSA-N 2 2 302.462 3.222 20 30 DGEDLP N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000564219933 315163807 /nfs/dbraw/zinc/16/38/07/315163807.db2.gz FGAZVTMKYWWULW-WMZOPIPTSA-N 2 2 306.413 3.127 20 30 DGEDLP C=CCOc1cccc(C[N@@H+]2CCCC[C@H]2[C@H]2CCC[NH2+]2)c1 ZINC000582904580 337213687 /nfs/dbraw/zinc/21/36/87/337213687.db2.gz AOHWFRYBVMZFNQ-MOPGFXCFSA-N 2 2 300.446 3.358 20 30 DGEDLP C=CCOc1cccc(C[N@H+]2CCCC[C@H]2[C@H]2CCC[NH2+]2)c1 ZINC000582904580 337213688 /nfs/dbraw/zinc/21/36/88/337213688.db2.gz AOHWFRYBVMZFNQ-MOPGFXCFSA-N 2 2 300.446 3.358 20 30 DGEDLP C=CC1CC[NH+](CCC[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000509670289 340276444 /nfs/dbraw/zinc/27/64/44/340276444.db2.gz ITHQYBGLAAHRGI-UHFFFAOYSA-N 2 2 313.489 3.097 20 30 DGEDLP C[C@@H]1C[C@H]([NH2+]Cc2cccc(C#N)c2)C[N@@H+]1Cc1ccccc1 ZINC000151320542 533957251 /nfs/dbraw/zinc/95/72/51/533957251.db2.gz WSONVNCTUQMXRP-UZLBHIALSA-N 2 2 305.425 3.311 20 30 DGEDLP C[C@@H]1C[C@H]([NH2+]Cc2cccc(C#N)c2)C[N@H+]1Cc1ccccc1 ZINC000151320542 533957255 /nfs/dbraw/zinc/95/72/55/533957255.db2.gz WSONVNCTUQMXRP-UZLBHIALSA-N 2 2 305.425 3.311 20 30 DGEDLP C=CC[NH+]1CCC([NH2+]Cc2csc(Br)c2)CC1 ZINC001560313731 1189309972 /nfs/dbraw/zinc/30/99/72/1189309972.db2.gz PRSMWDTURAGLNT-UHFFFAOYSA-N 2 2 315.280 3.251 20 30 DGEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)CC1 ZINC000340231045 526455042 /nfs/dbraw/zinc/45/50/42/526455042.db2.gz MPAXTFAEMYQOTC-UXHICEINSA-N 3 2 313.489 3.062 20 30 DGEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)CC1 ZINC000340231045 526455045 /nfs/dbraw/zinc/45/50/45/526455045.db2.gz MPAXTFAEMYQOTC-UXHICEINSA-N 3 2 313.489 3.062 20 30 DGEDLP C=C(C)C[N@H+](CC)C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000429724454 526547709 /nfs/dbraw/zinc/54/77/09/526547709.db2.gz MLIJWJYVGTUHMR-LJQANCHMSA-N 2 2 302.462 3.176 20 30 DGEDLP C=C(C)C[N@@H+](CC)C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000429724454 526547712 /nfs/dbraw/zinc/54/77/12/526547712.db2.gz MLIJWJYVGTUHMR-LJQANCHMSA-N 2 2 302.462 3.176 20 30 DGEDLP C=C(C)C[NH+](CC)C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000429724454 526547714 /nfs/dbraw/zinc/54/77/14/526547714.db2.gz MLIJWJYVGTUHMR-LJQANCHMSA-N 2 2 302.462 3.176 20 30 DGEDLP C=C(C)C[NH+](CC)C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000429724454 526547715 /nfs/dbraw/zinc/54/77/15/526547715.db2.gz MLIJWJYVGTUHMR-LJQANCHMSA-N 2 2 302.462 3.176 20 30 DGEDLP C=C(C[NH2+]C1CC[NH+](Cc2ccncc2)CC1)c1ccccc1 ZINC000346782968 526881937 /nfs/dbraw/zinc/88/19/37/526881937.db2.gz USMXPRMNBRTSPR-UHFFFAOYSA-N 2 2 307.441 3.349 20 30 DGEDLP C=CCC[C@H]([NH2+]CCC[NH+]1C[C@@H](C)O[C@H](C)C1)c1ccco1 ZINC000353456737 527483936 /nfs/dbraw/zinc/48/39/36/527483936.db2.gz WTJUXVNAKYOFSN-ZACQAIPSSA-N 2 2 306.450 3.376 20 30 DGEDLP CCC[NH+]1CCC([N@H+](C)CC#Cc2ccc(Cl)cc2)CC1 ZINC000177156644 528193287 /nfs/dbraw/zinc/19/32/87/528193287.db2.gz IUFHHSGFRDCOJE-UHFFFAOYSA-N 2 2 304.865 3.498 20 30 DGEDLP CCC[NH+]1CCC([N@@H+](C)CC#Cc2ccc(Cl)cc2)CC1 ZINC000177156644 528193292 /nfs/dbraw/zinc/19/32/92/528193292.db2.gz IUFHHSGFRDCOJE-UHFFFAOYSA-N 2 2 304.865 3.498 20 30 DGEDLP CC[C@H](CC#N)[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000184082848 529300627 /nfs/dbraw/zinc/30/06/27/529300627.db2.gz GSQWCSPTCSBEAZ-QGZVFWFLSA-N 2 2 303.425 3.114 20 30 DGEDLP C#CCOc1ccc(C[NH2+]C[C@@H](C)[N@H+](C)Cc2ccccc2)cc1 ZINC000733327999 574616260 /nfs/dbraw/zinc/61/62/60/574616260.db2.gz IMINSLKNQRIKNH-GOSISDBHSA-N 2 2 322.452 3.309 20 30 DGEDLP C#CCOc1ccc(C[NH2+]C[C@@H](C)[N@@H+](C)Cc2ccccc2)cc1 ZINC000733327999 574616262 /nfs/dbraw/zinc/61/62/62/574616262.db2.gz IMINSLKNQRIKNH-GOSISDBHSA-N 2 2 322.452 3.309 20 30 DGEDLP Cc1[nH+]c(C=NNc2cc[nH+]c3ccccc23)c2ccccn12 ZINC000730148037 575276511 /nfs/dbraw/zinc/27/65/11/575276511.db2.gz MMVLPSLWNRXJPS-UHFFFAOYSA-N 2 2 301.353 3.059 20 30 DGEDLP C[NH+](C)Cc1ccc(C(N)=[NH+]OC/C=C/c2ccccc2)cc1 ZINC000747838749 575545691 /nfs/dbraw/zinc/54/56/91/575545691.db2.gz JBRZNFSDULYVAF-RMKNXTFCSA-N 2 2 309.413 3.099 20 30 DGEDLP CCOc1ccc(/C=[NH+]\C2CCC(C[NH+](C)C)CC2)c(O)c1 ZINC000749582949 575666311 /nfs/dbraw/zinc/66/63/11/575666311.db2.gz UCYRLTJQWVHZRT-UNOMPAQXSA-N 2 2 304.434 3.330 20 30 DGEDLP C#CC[N@H+](C)CCC[NH2+][C@@H](c1ccc(C)cc1)c1cccnc1 ZINC000926489317 618032174 /nfs/dbraw/zinc/03/21/74/618032174.db2.gz GSORAZHWKJVROJ-FQEVSTJZSA-N 2 2 307.441 3.024 20 30 DGEDLP C#CC[N@@H+](C)CCC[NH2+][C@@H](c1ccc(C)cc1)c1cccnc1 ZINC000926489317 618032178 /nfs/dbraw/zinc/03/21/78/618032178.db2.gz GSORAZHWKJVROJ-FQEVSTJZSA-N 2 2 307.441 3.024 20 30 DGEDLP N#Cc1ccc(CN(c2cccc[nH+]2)[C@H]2CC[C@H]([NH3+])CC2)c(F)c1 ZINC000895110350 618539636 /nfs/dbraw/zinc/53/96/36/618539636.db2.gz JFCNWYUMAQBPDY-QAQDUYKDSA-N 2 2 324.403 3.369 20 30 DGEDLP CC(C)(CCC#N)CN(c1cccc[nH+]1)[C@H]1CC[C@H]([NH3+])CC1 ZINC000895111023 618539947 /nfs/dbraw/zinc/53/99/47/618539947.db2.gz IJZVETFKCWOUNU-WKILWMFISA-N 2 2 300.450 3.488 20 30 DGEDLP C[C@@H](CC(C)(C)C#N)N(c1cccc[nH+]1)[C@H]1CC[C@H]([NH3+])CC1 ZINC000895132699 618546544 /nfs/dbraw/zinc/54/65/44/618546544.db2.gz YQABZQUOQDSPOP-JYJNAYRXSA-N 2 2 300.450 3.486 20 30 DGEDLP CC[C@@H]([NH2+]C1CC[NH+](CC(C)C)CC1)c1cccc(C#N)c1O ZINC000924628509 619248574 /nfs/dbraw/zinc/24/85/74/619248574.db2.gz JFYGIBBAWRQXCB-GOSISDBHSA-N 2 2 315.461 3.425 20 30 DGEDLP CC[C@H]([NH2+]C1CC[NH+](CC(C)C)CC1)c1cccc(C#N)c1O ZINC000924628512 619248595 /nfs/dbraw/zinc/24/85/95/619248595.db2.gz JFYGIBBAWRQXCB-SFHVURJKSA-N 2 2 315.461 3.425 20 30 DGEDLP C=CCC[C@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)[C@]1(C)CCCCO1 ZINC000902993720 619700574 /nfs/dbraw/zinc/70/05/74/619700574.db2.gz WTWSCKXMEFIDMR-JLSDUUJJSA-N 2 2 303.450 3.151 20 30 DGEDLP N#Cc1cc(C[NH2+]C2CC[NH+](CC3CCCC3)CC2)cs1 ZINC000921621058 620915988 /nfs/dbraw/zinc/91/59/88/620915988.db2.gz ADYFJBZQLWAELF-UHFFFAOYSA-N 2 2 303.475 3.364 20 30 DGEDLP C[C@H]([NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1)c1ccc(OCC#N)cc1 ZINC000858531281 621202232 /nfs/dbraw/zinc/20/22/32/621202232.db2.gz CIJAAJMQTWRHAV-YJBOKZPZSA-N 2 2 313.445 3.256 20 30 DGEDLP C[C@H]([NH2+]C[C@@H]1CC[N@H+]1C1CCCC1)c1ccc(OCC#N)cc1 ZINC000858531281 621202235 /nfs/dbraw/zinc/20/22/35/621202235.db2.gz CIJAAJMQTWRHAV-YJBOKZPZSA-N 2 2 313.445 3.256 20 30 DGEDLP CN(C)c1ccc(C#N)cc1C[NH2+]CCCCNc1cccc[nH+]1 ZINC000865446270 621923310 /nfs/dbraw/zinc/92/33/10/621923310.db2.gz QKSWXHQISYOKDG-UHFFFAOYSA-N 2 2 323.444 3.001 20 30 DGEDLP C[C@H]([NH2+]CCC[N@@H+]1CCCC[C@@H]1C)c1cccc(C#N)c1O ZINC000866218332 622068432 /nfs/dbraw/zinc/06/84/32/622068432.db2.gz NEQHABAFCXLSBG-GJZGRUSLSA-N 2 2 301.434 3.179 20 30 DGEDLP C[C@H]([NH2+]CCC[N@H+]1CCCC[C@@H]1C)c1cccc(C#N)c1O ZINC000866218332 622068433 /nfs/dbraw/zinc/06/84/33/622068433.db2.gz NEQHABAFCXLSBG-GJZGRUSLSA-N 2 2 301.434 3.179 20 30 DGEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000873047675 623025752 /nfs/dbraw/zinc/02/57/52/623025752.db2.gz YYOJMBNQZFTXFJ-UHFFFAOYSA-N 2 2 303.406 3.033 20 30 DGEDLP CC1([NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)CC(F)(F)C1 ZINC000873198037 623071880 /nfs/dbraw/zinc/07/18/80/623071880.db2.gz ZCPBDVAUYVNMFH-UHFFFAOYSA-N 2 2 319.399 3.300 20 30 DGEDLP CC[NH+]1CCN(c2ccc([NH2+][C@H]3CCC[C@@H](C#N)C3)cc2)CC1 ZINC000774270315 623126465 /nfs/dbraw/zinc/12/64/65/623126465.db2.gz DIVOYHCJWZBRFP-AEFFLSMTSA-N 2 2 312.461 3.323 20 30 DGEDLP CC(C)(C)[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1cc(C#N)cnc1Cl ZINC000876957151 623753995 /nfs/dbraw/zinc/75/39/95/623753995.db2.gz VKMMVJAUBZWWGE-CQSZACIVSA-N 2 2 317.824 3.008 20 30 DGEDLP COc1ccc(N[NH+]=Cc2c[nH+]ccc2N(C)C)cc1Cl ZINC000782232638 624224682 /nfs/dbraw/zinc/22/46/82/624224682.db2.gz SCPGOFMYNPRAGP-UHFFFAOYSA-N 2 2 304.781 3.256 20 30 DGEDLP CC[C@@H](CC#N)[NH2+]Cc1cc(C#N)cc(C[NH2+][C@@H](CC)CC#N)c1 ZINC000878698137 624342452 /nfs/dbraw/zinc/34/24/52/624342452.db2.gz BILNUSOOMIKEMT-OALUTQOASA-N 2 2 323.444 3.122 20 30 DGEDLP C[NH+](C)c1ccc(N2CCC([NH2+]CC3(CC#N)CC3)CC2)cc1 ZINC000797586635 626154838 /nfs/dbraw/zinc/15/48/38/626154838.db2.gz JKUKRUJNQQNCBB-UHFFFAOYSA-N 2 2 312.461 3.005 20 30 DGEDLP C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000886281052 627130347 /nfs/dbraw/zinc/13/03/47/627130347.db2.gz RCMIUKQFGWZCHX-DPDLHNOKSA-N 2 2 323.484 3.404 20 30 DGEDLP C#CC[N@@H+](C)CCC[NH2+][C@@H](CC)c1cc(Cl)ccc1OC ZINC000815651886 627695062 /nfs/dbraw/zinc/69/50/62/627695062.db2.gz HNWGDKUBCKTVRG-INIZCTEOSA-N 2 2 308.853 3.344 20 30 DGEDLP C#CC[N@H+](C)CCC[NH2+][C@@H](CC)c1cc(Cl)ccc1OC ZINC000815651886 627695065 /nfs/dbraw/zinc/69/50/65/627695065.db2.gz HNWGDKUBCKTVRG-INIZCTEOSA-N 2 2 308.853 3.344 20 30 DGEDLP CC[C@H](C#N)Oc1cccc(C[NH2+][C@@H]2CC[NH2+]C23CCCC3)c1 ZINC000925619897 627763732 /nfs/dbraw/zinc/76/37/32/627763732.db2.gz RULABDGOLUWKEV-SJLPKXTDSA-N 2 2 313.445 3.132 20 30 DGEDLP CSc1ccc(C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)cc1C#N ZINC000926869626 627966426 /nfs/dbraw/zinc/96/64/26/627966426.db2.gz VUGODZIYYFNHQJ-DLBZAZTESA-N 2 2 315.486 3.387 20 30 DGEDLP CSc1ccc(C[NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)cc1C#N ZINC000926869626 627966429 /nfs/dbraw/zinc/96/64/29/627966429.db2.gz VUGODZIYYFNHQJ-DLBZAZTESA-N 2 2 315.486 3.387 20 30 DGEDLP C#Cc1cccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)c1 ZINC000834903760 629803646 /nfs/dbraw/zinc/80/36/46/629803646.db2.gz RCRPJGOEAIBTTL-UWJYYQICSA-N 2 2 319.452 3.063 20 30 DGEDLP C#Cc1cccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)c1 ZINC000834903760 629803651 /nfs/dbraw/zinc/80/36/51/629803651.db2.gz RCRPJGOEAIBTTL-UWJYYQICSA-N 2 2 319.452 3.063 20 30 DGEDLP C=C(C)CNC(=[NH2+])NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000849054134 631819623 /nfs/dbraw/zinc/81/96/23/631819623.db2.gz IRJWOJSPTWDHBS-INIZCTEOSA-N 2 2 320.868 3.167 20 30 DGEDLP C#CCOc1ccccc1C[N@@H+](C)C1CC[NH+](CCC)CC1 ZINC000092165708 655963290 /nfs/dbraw/zinc/96/32/90/655963290.db2.gz LSMAEMHIDQPSKN-UHFFFAOYSA-N 2 2 300.446 3.005 20 30 DGEDLP C#CCOc1ccccc1C[N@H+](C)C1CC[NH+](CCC)CC1 ZINC000092165708 655963291 /nfs/dbraw/zinc/96/32/91/655963291.db2.gz LSMAEMHIDQPSKN-UHFFFAOYSA-N 2 2 300.446 3.005 20 30 DGEDLP CC[NH+]=C(NCCC(C)(C)C)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000261661401 656951516 /nfs/dbraw/zinc/95/15/16/656951516.db2.gz AVAYXSDTSTUVAE-HOTGVXAUSA-N 2 2 319.497 3.168 20 30 DGEDLP CC(C)(C)n1c[nH+]cc1[C@@H]1CCC[N@H+](CCCSCC#N)C1 ZINC001460971229 1182748467 /nfs/dbraw/zinc/74/84/67/1182748467.db2.gz HKGZXEVHFDHLNA-OAHLLOKOSA-N 2 2 320.506 3.464 20 30 DGEDLP CC(C)(C)n1c[nH+]cc1[C@@H]1CCC[N@@H+](CCCSCC#N)C1 ZINC001460971229 1182748469 /nfs/dbraw/zinc/74/84/69/1182748469.db2.gz HKGZXEVHFDHLNA-OAHLLOKOSA-N 2 2 320.506 3.464 20 30 DGEDLP N#CCc1ccc(C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC001560515386 1189334652 /nfs/dbraw/zinc/33/46/52/1189334652.db2.gz VWRSYVYIAPQCHB-UHFFFAOYSA-N 2 2 302.381 3.228 20 30 DGEDLP C#CC[N@@H+](C)C[C@@H](C[NH+](C)Cc1ccccc1)c1ccccc1 ZINC001645493255 1195189422 /nfs/dbraw/zinc/18/94/22/1195189422.db2.gz KLRNLGRKUSAMSV-NRFANRHFSA-N 2 2 306.453 3.467 20 30 DGEDLP C#CC[N@H+](C)C[C@@H](C[NH+](C)Cc1ccccc1)c1ccccc1 ZINC001645493255 1195189424 /nfs/dbraw/zinc/18/94/24/1195189424.db2.gz KLRNLGRKUSAMSV-NRFANRHFSA-N 2 2 306.453 3.467 20 30 DGEDLP C#CC[NH+](C)C[C@@H](C[N@H+](C)Cc1ccccc1)c1ccccc1 ZINC001645493255 1195189428 /nfs/dbraw/zinc/18/94/28/1195189428.db2.gz KLRNLGRKUSAMSV-NRFANRHFSA-N 2 2 306.453 3.467 20 30 DGEDLP C#CC[NH+](C)C[C@@H](C[N@@H+](C)Cc1ccccc1)c1ccccc1 ZINC001645493255 1195189430 /nfs/dbraw/zinc/18/94/30/1195189430.db2.gz KLRNLGRKUSAMSV-NRFANRHFSA-N 2 2 306.453 3.467 20 30 DGEDLP N#Cc1cccc(C[NH2+][C@H](Cn2cc[nH+]c2)c2ccccc2)c1 ZINC001655430733 1195916068 /nfs/dbraw/zinc/91/60/68/1195916068.db2.gz FQWHGWBXFJCMOP-LJQANCHMSA-N 2 2 302.381 3.286 20 30 DGEDLP C#CCOc1ccc(C[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)cc1 ZINC001657986100 1196198869 /nfs/dbraw/zinc/19/88/69/1196198869.db2.gz WOVNTYHTONKSTC-UHFFFAOYSA-N 2 2 323.421 3.236 20 30 DGEDLP C=CCC[C@H](C)[N@H+](C)CCCNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001660235261 1196459762 /nfs/dbraw/zinc/45/97/62/1196459762.db2.gz RVAVBHHHPYKHGW-INIZCTEOSA-N 2 2 317.477 3.413 20 30 DGEDLP C=CCC[C@H](C)[N@@H+](C)CCCNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001660235261 1196459764 /nfs/dbraw/zinc/45/97/64/1196459764.db2.gz RVAVBHHHPYKHGW-INIZCTEOSA-N 2 2 317.477 3.413 20 30 DGEDLP C=CCC[NH2+]C[C@@H](C1CC1)N(C)C(=O)c1c(C)cc(C)[nH+]c1C ZINC001676239504 1198258365 /nfs/dbraw/zinc/25/83/65/1198258365.db2.gz VWCAYAXRQMMSMZ-KRWDZBQOSA-N 2 2 315.461 3.023 20 30 DGEDLP C=C(C)CC[NH2+][C@@H](C)CN(C)C(=O)c1c(C)cc(C)[nH+]c1C ZINC001755596463 1200977110 /nfs/dbraw/zinc/97/71/10/1200977110.db2.gz ILYMBKBYXOFEJF-HNNXBMFYSA-N 2 2 303.450 3.023 20 30 DGEDLP C=CCC[NH2+][C@H]1CN(C(=O)c2c(C)cc(C)[nH+]c2C)CC1(C)C ZINC001755760977 1201064981 /nfs/dbraw/zinc/06/49/81/1201064981.db2.gz YHZAEGIYNCYMLT-INIZCTEOSA-N 2 2 315.461 3.023 20 30 DGEDLP C=CCC[NH2+][C@H]1CCC[C@H](NC(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001714402031 1202913093 /nfs/dbraw/zinc/91/30/93/1202913093.db2.gz AUGNXBXMCNHUNS-IRXDYDNUSA-N 2 2 315.461 3.214 20 30 DGEDLP C=C(C)C[NH2+]C[C@H]1CCC[C@H]1NC(=O)c1c(C)cc(C)[nH+]c1C ZINC001716065345 1203438107 /nfs/dbraw/zinc/43/81/07/1203438107.db2.gz MHGSKDKHRDIRAI-IAGOWNOFSA-N 2 2 315.461 3.071 20 30 DGEDLP CC(C)[N@@H+]1CC[C@@H]([NH2+]C2CCC(C#N)(c3ccccc3)CC2)C1 ZINC001170359363 1082351893 /nfs/dbraw/zinc/35/18/93/1082351893.db2.gz SQMAQZMATIYONA-IOJLRTSASA-N 2 2 311.473 3.463 20 30 DGEDLP CC(C)[N@H+]1CC[C@@H]([NH2+]C2CCC(C#N)(c3ccccc3)CC2)C1 ZINC001170359363 1082351900 /nfs/dbraw/zinc/35/19/00/1082351900.db2.gz SQMAQZMATIYONA-IOJLRTSASA-N 2 2 311.473 3.463 20 30 DGEDLP CC(C)[N@@H+]1CC[C@H]([NH2+]C2CCC(C#N)(c3ccccc3)CC2)C1 ZINC001170359362 1082352005 /nfs/dbraw/zinc/35/20/05/1082352005.db2.gz SQMAQZMATIYONA-GPJFCIFZSA-N 2 2 311.473 3.463 20 30 DGEDLP CC(C)[N@H+]1CC[C@H]([NH2+]C2CCC(C#N)(c3ccccc3)CC2)C1 ZINC001170359362 1082352010 /nfs/dbraw/zinc/35/20/10/1082352010.db2.gz SQMAQZMATIYONA-GPJFCIFZSA-N 2 2 311.473 3.463 20 30 DGEDLP C=CCC[C@H](C)[NH2+][C@H](C)CNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001266956313 1082373846 /nfs/dbraw/zinc/37/38/46/1082373846.db2.gz OYGVOMBFUDCLPK-DZGCQCFKSA-N 2 2 303.450 3.069 20 30 DGEDLP CC(C)[Si](C#C[NH2+][C@H](C)[C@@H]1C[NH2+]CCO1)(C(C)C)C(C)C ZINC001170568424 1082685765 /nfs/dbraw/zinc/68/57/65/1082685765.db2.gz ONCFGSCXBBWTMN-SJORKVTESA-N 2 2 310.558 3.132 20 30 DGEDLP C=CCC[C@H](C)[NH2+]C[C@H](C)NC(=O)c1c(C)cc(C)[nH+]c1C ZINC001268696618 1084951404 /nfs/dbraw/zinc/95/14/04/1084951404.db2.gz RUJGINJXNFWERH-ZFWWWQNUSA-N 2 2 303.450 3.069 20 30 DGEDLP N#Cc1ccc2cc[nH+]c(NCc3ccc4c(c3)CC[NH2+]C4)c2c1 ZINC001155267454 1089033138 /nfs/dbraw/zinc/03/31/38/1089033138.db2.gz FDORWSFGOGNXAS-UHFFFAOYSA-N 2 2 314.392 3.364 20 30 DGEDLP N#CCc1cc[nH+]c(N[C@@H](c2cccc(F)c2)C2CC[NH2+]CC2)c1 ZINC001161821775 1089424517 /nfs/dbraw/zinc/42/45/17/1089424517.db2.gz FBVANKIIICAVJT-LJQANCHMSA-N 2 2 324.403 3.440 20 30 DGEDLP N#Cc1ccc(C[NH+]2C[C@@H]3C[NH+](Cc4cccs4)C[C@H]3C2)cc1 ZINC001203903279 1090834122 /nfs/dbraw/zinc/83/41/22/1090834122.db2.gz TVUMUMRXPKHWPC-QZTJIDSGSA-N 2 2 323.465 3.184 20 30 DGEDLP C#CCOc1ccc(C[N@@H+](C(C)C)C2CC[NH+](C)CC2)cc1 ZINC001138560573 1091230363 /nfs/dbraw/zinc/23/03/63/1091230363.db2.gz ANFSAJADYSCRSC-UHFFFAOYSA-N 2 2 300.446 3.003 20 30 DGEDLP C#CCOc1ccc(C[N@H+](C(C)C)C2CC[NH+](C)CC2)cc1 ZINC001138560573 1091230372 /nfs/dbraw/zinc/23/03/72/1091230372.db2.gz ANFSAJADYSCRSC-UHFFFAOYSA-N 2 2 300.446 3.003 20 30 DGEDLP N#Cc1cccc2c(C[NH+]3CCC([NH+]4CCCC4)CC3)c[nH]c21 ZINC001139701829 1091646977 /nfs/dbraw/zinc/64/69/77/1091646977.db2.gz PTPFONVUAFBKEW-UHFFFAOYSA-N 2 2 308.429 3.100 20 30 DGEDLP Cc1ccc(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3C)C2)cc1C#N ZINC001139727447 1091655794 /nfs/dbraw/zinc/65/57/94/1091655794.db2.gz REUSDYCHISJBIP-GOSISDBHSA-N 2 2 307.397 3.223 20 30 DGEDLP CC1(C[NH3+])C[NH+](Cc2ccc(Oc3ccc(C#N)cc3)cc2)C1 ZINC001206723935 1091714050 /nfs/dbraw/zinc/71/40/50/1091714050.db2.gz XPFVZVBJNKRTGB-UHFFFAOYSA-N 2 2 307.397 3.131 20 30 DGEDLP CC(C)[N@H+](Cc1c[nH]c2ccc(C#N)cc12)C1CC[NH+](C)CC1 ZINC001140116590 1091773316 /nfs/dbraw/zinc/77/33/16/1091773316.db2.gz BRZQEFJZCDTMDG-UHFFFAOYSA-N 2 2 310.445 3.344 20 30 DGEDLP CC(C)[N@@H+](Cc1c[nH]c2ccc(C#N)cc12)C1CC[NH+](C)CC1 ZINC001140116590 1091773325 /nfs/dbraw/zinc/77/33/25/1091773325.db2.gz BRZQEFJZCDTMDG-UHFFFAOYSA-N 2 2 310.445 3.344 20 30 DGEDLP C=CCC[N@@H+](C)[C@H]1CCCN(C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001491938294 1092310045 /nfs/dbraw/zinc/31/00/45/1092310045.db2.gz LJXIRQIIOXBMLF-KRWDZBQOSA-N 2 2 315.461 3.119 20 30 DGEDLP C=CCC[N@H+](C)[C@H]1CCCN(C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001491938294 1092310058 /nfs/dbraw/zinc/31/00/58/1092310058.db2.gz LJXIRQIIOXBMLF-KRWDZBQOSA-N 2 2 315.461 3.119 20 30 DGEDLP C=C(C)CC[NH2+][C@@H]1CCCN(C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001208648333 1092441170 /nfs/dbraw/zinc/44/11/70/1092441170.db2.gz IMTMLSQMAIFNGH-QGZVFWFLSA-N 2 2 315.461 3.167 20 30 DGEDLP C=CC[NH+]1CCC([NH2+][C@@H]2C[C@H](C)c3c2c(O)ccc3C)CC1 ZINC001116584180 1095607030 /nfs/dbraw/zinc/60/70/30/1095607030.db2.gz BELGQOMMMRGBOT-GOEBONIOSA-N 2 2 300.446 3.489 20 30 DGEDLP C[C@H](Cc1cccc(C#N)c1)[NH+]1CCC(Oc2cc[nH+]cc2)CC1 ZINC001171209980 1095770556 /nfs/dbraw/zinc/77/05/56/1095770556.db2.gz OFMRRABPLRXPKH-MRXNPFEDSA-N 2 2 321.424 3.428 20 30 DGEDLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](CC2CCC(C#N)CC2)C1 ZINC001340694705 1096008117 /nfs/dbraw/zinc/00/81/17/1096008117.db2.gz RXIQLMTWTNEHMX-JCYILVPMSA-N 2 2 300.450 3.005 20 30 DGEDLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](CC2CCC(C#N)CC2)C1 ZINC001340694705 1096008131 /nfs/dbraw/zinc/00/81/31/1096008131.db2.gz RXIQLMTWTNEHMX-JCYILVPMSA-N 2 2 300.450 3.005 20 30 DGEDLP CC[NH+]1CC(OCC[S+](c2ccccc2)c2ccccc2)C1 ZINC001224637647 1096251277 /nfs/dbraw/zinc/25/12/77/1096251277.db2.gz UVFMHLWBRMMWFN-UHFFFAOYSA-N 2 2 314.474 3.444 20 30 DGEDLP N#CCC1C[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001172080857 1097039218 /nfs/dbraw/zinc/03/92/18/1097039218.db2.gz YIWCAPZWJPSXRP-PMOLBWCYSA-N 2 2 309.457 3.418 20 30 DGEDLP N#CCC1C[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001172080857 1097039225 /nfs/dbraw/zinc/03/92/25/1097039225.db2.gz YIWCAPZWJPSXRP-PMOLBWCYSA-N 2 2 309.457 3.418 20 30 DGEDLP COc1cccc(C[NH+]2CCC([NH2+][C@H](C)CCCC#N)CC2)c1 ZINC001172489790 1097167255 /nfs/dbraw/zinc/16/72/55/1097167255.db2.gz ZVSALJKZHSYBQT-MRXNPFEDSA-N 2 2 315.461 3.332 20 30 DGEDLP C[C@H](CCCC#N)[N@@H+]1CC[C@H]2[C@H](CC[NH+]2Cc2nccs2)C1 ZINC001172500118 1097172436 /nfs/dbraw/zinc/17/24/36/1097172436.db2.gz WYAQEBMZIGBHON-OAGGEKHMSA-N 2 2 318.490 3.122 20 30 DGEDLP C[C@H](CCCC#N)[N@H+]1CC[C@H]2[C@H](CC[NH+]2Cc2nccs2)C1 ZINC001172500118 1097172439 /nfs/dbraw/zinc/17/24/39/1097172439.db2.gz WYAQEBMZIGBHON-OAGGEKHMSA-N 2 2 318.490 3.122 20 30 DGEDLP C[C@H](CCCC#N)[NH+]1CC[C@H]2[C@H](CC[N@@H+]2Cc2nccs2)C1 ZINC001172500118 1097172441 /nfs/dbraw/zinc/17/24/41/1097172441.db2.gz WYAQEBMZIGBHON-OAGGEKHMSA-N 2 2 318.490 3.122 20 30 DGEDLP C[C@H](CCCC#N)[NH+]1CC[C@H]2[C@H](CC[N@H+]2Cc2nccs2)C1 ZINC001172500118 1097172444 /nfs/dbraw/zinc/17/24/44/1097172444.db2.gz WYAQEBMZIGBHON-OAGGEKHMSA-N 2 2 318.490 3.122 20 30 DGEDLP C=C(C)CC[NH2+]CCCC[C@H](C)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001175502448 1098074335 /nfs/dbraw/zinc/07/43/35/1098074335.db2.gz JDSYZLCCCUNIHG-IRXDYDNUSA-N 2 2 320.481 3.065 20 30 DGEDLP CCCCCCCCCC[N@@H+]1CC[NH2+]C[C@@]2(CCCC(=O)N2)C1 ZINC001235172831 1098855073 /nfs/dbraw/zinc/85/50/73/1098855073.db2.gz BZKMHOZDJYTAPK-IBGZPJMESA-N 2 2 323.525 3.071 20 30 DGEDLP CCCCCCCCCC[N@H+]1CC[NH2+]C[C@@]2(CCCC(=O)N2)C1 ZINC001235172831 1098855088 /nfs/dbraw/zinc/85/50/88/1098855088.db2.gz BZKMHOZDJYTAPK-IBGZPJMESA-N 2 2 323.525 3.071 20 30 DGEDLP C#Cc1cccc(C[N@@H+]2CCC[C@]23C[NH2+]C[C@@H]3c2ccccc2)c1 ZINC001235251774 1098924457 /nfs/dbraw/zinc/92/44/57/1098924457.db2.gz WLJTXKUIZLAXAZ-FGZHOGPDSA-N 2 2 316.448 3.390 20 30 DGEDLP C#Cc1cccc(C[N@H+]2CCC[C@]23C[NH2+]C[C@@H]3c2ccccc2)c1 ZINC001235251774 1098924468 /nfs/dbraw/zinc/92/44/68/1098924468.db2.gz WLJTXKUIZLAXAZ-FGZHOGPDSA-N 2 2 316.448 3.390 20 30 DGEDLP N#Cc1ccc2c(c1)C[C@@H]([NH2+]Cc1ccc(-n3cc[nH+]c3)cc1)C2 ZINC001179419865 1099099355 /nfs/dbraw/zinc/09/93/55/1099099355.db2.gz VHYSYLYSWSJSKU-IBGZPJMESA-N 2 2 314.392 3.001 20 30 DGEDLP CN(c1ccc(C#N)cc1)c1ccc(C[N@@H+]2CCC[C@H]2C[NH3+])cc1 ZINC001235725058 1099146916 /nfs/dbraw/zinc/14/69/16/1099146916.db2.gz OCIXPMUDOSMTDO-FQEVSTJZSA-N 2 2 320.440 3.249 20 30 DGEDLP CN(c1ccc(C#N)cc1)c1ccc(C[N@H+]2CCC[C@H]2C[NH3+])cc1 ZINC001235725058 1099146922 /nfs/dbraw/zinc/14/69/22/1099146922.db2.gz OCIXPMUDOSMTDO-FQEVSTJZSA-N 2 2 320.440 3.249 20 30 DGEDLP N#Cc1ccc(Oc2ccc(C[N@H+]3CCC[C@H]3C[NH3+])cc2)cc1 ZINC001235724130 1099147880 /nfs/dbraw/zinc/14/78/80/1099147880.db2.gz DCIOHANITGDLCW-KRWDZBQOSA-N 2 2 307.397 3.274 20 30 DGEDLP N#Cc1ccc(Oc2ccc(C[N@@H+]3CCC[C@H]3C[NH3+])cc2)cc1 ZINC001235724130 1099147882 /nfs/dbraw/zinc/14/78/82/1099147882.db2.gz DCIOHANITGDLCW-KRWDZBQOSA-N 2 2 307.397 3.274 20 30 DGEDLP CC(C)(C)C[N@H+](Cc1cc(C#N)c(F)cc1F)C1CC[NH2+]CC1 ZINC001236459557 1099622644 /nfs/dbraw/zinc/62/26/44/1099622644.db2.gz UYIKDADEFJXXEM-UHFFFAOYSA-N 2 2 321.415 3.437 20 30 DGEDLP CC(C)(C)C[N@@H+](Cc1cc(C#N)c(F)cc1F)C1CC[NH2+]CC1 ZINC001236459557 1099622650 /nfs/dbraw/zinc/62/26/50/1099622650.db2.gz UYIKDADEFJXXEM-UHFFFAOYSA-N 2 2 321.415 3.437 20 30 DGEDLP C=CCOc1ccc(C[N@H+](C2CCC2)[C@@H]2CCC[NH2+]C2)cc1 ZINC001237142778 1099993095 /nfs/dbraw/zinc/99/30/95/1099993095.db2.gz BTHFXSAFAGYUTA-GOSISDBHSA-N 2 2 300.446 3.358 20 30 DGEDLP C=CCOc1ccc(C[N@@H+](C2CCC2)[C@@H]2CCC[NH2+]C2)cc1 ZINC001237142778 1099993108 /nfs/dbraw/zinc/99/31/08/1099993108.db2.gz BTHFXSAFAGYUTA-GOSISDBHSA-N 2 2 300.446 3.358 20 30 DGEDLP C=CCCC[N@@H+](C)[C@H]1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001191448695 1100459782 /nfs/dbraw/zinc/45/97/82/1100459782.db2.gz ARKZTCRJWRNZTB-KRWDZBQOSA-N 2 2 315.461 3.119 20 30 DGEDLP C=CCCC[N@H+](C)[C@H]1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001191448695 1100459784 /nfs/dbraw/zinc/45/97/84/1100459784.db2.gz ARKZTCRJWRNZTB-KRWDZBQOSA-N 2 2 315.461 3.119 20 30 DGEDLP CCc1cc(C[N@@H+]2CC[C@H](Oc3cc[nH+]cc3C)C2)ccc1C#N ZINC001238773433 1100525762 /nfs/dbraw/zinc/52/57/62/1100525762.db2.gz YYZXQEVLWGPLOR-IBGZPJMESA-N 2 2 321.424 3.477 20 30 DGEDLP CCc1cc(C[N@H+]2CC[C@H](Oc3cc[nH+]cc3C)C2)ccc1C#N ZINC001238773433 1100525766 /nfs/dbraw/zinc/52/57/66/1100525766.db2.gz YYZXQEVLWGPLOR-IBGZPJMESA-N 2 2 321.424 3.477 20 30 DGEDLP C=CCOC1CCC([N@H+]([C@@H]2CC[NH2+]C2)C2CCCCC2)CC1 ZINC001246974457 1104758867 /nfs/dbraw/zinc/75/88/67/1104758867.db2.gz ARFSAYANAATAPT-JLAWEPINSA-N 2 2 306.494 3.497 20 30 DGEDLP C=CCOC1CCC([N@@H+]([C@@H]2CC[NH2+]C2)C2CCCCC2)CC1 ZINC001246974457 1104758871 /nfs/dbraw/zinc/75/88/71/1104758871.db2.gz ARFSAYANAATAPT-JLAWEPINSA-N 2 2 306.494 3.497 20 30 DGEDLP C=CCCCCCCC[NH+]1CC2(CN(CCn3cc[nH+]c3)C2)C1 ZINC001276042903 1105003971 /nfs/dbraw/zinc/00/39/71/1105003971.db2.gz KWHXLSZOSMYUFA-UHFFFAOYSA-N 2 2 316.493 3.027 20 30 DGEDLP N#CC1(c2ccc(F)cc2)CCC([NH2+]CC[NH+]2CCCC2)CC1 ZINC001254340952 1106056113 /nfs/dbraw/zinc/05/61/13/1106056113.db2.gz CGDYQDTWUTYSCT-UHFFFAOYSA-N 2 2 315.436 3.215 20 30 DGEDLP C=CCC[C@H](C)[N@@H+]1CC[C@@H]2[C@H](CC[NH+]2Cc2nccs2)C1 ZINC001258727541 1106931598 /nfs/dbraw/zinc/93/15/98/1106931598.db2.gz GHWYXPYFGLUDNA-ARFHVFGLSA-N 2 2 305.491 3.394 20 30 DGEDLP C=CCC[C@H](C)[N@H+]1CC[C@@H]2[C@H](CC[NH+]2Cc2nccs2)C1 ZINC001258727541 1106931608 /nfs/dbraw/zinc/93/16/08/1106931608.db2.gz GHWYXPYFGLUDNA-ARFHVFGLSA-N 2 2 305.491 3.394 20 30 DGEDLP C=CCC[C@H](C)[NH+]1CC[C@@H]2[C@H](CC[N@@H+]2Cc2nccs2)C1 ZINC001258727541 1106931621 /nfs/dbraw/zinc/93/16/21/1106931621.db2.gz GHWYXPYFGLUDNA-ARFHVFGLSA-N 2 2 305.491 3.394 20 30 DGEDLP C=CCC[C@H](C)[NH+]1CC[C@@H]2[C@H](CC[N@H+]2Cc2nccs2)C1 ZINC001258727541 1106931628 /nfs/dbraw/zinc/93/16/28/1106931628.db2.gz GHWYXPYFGLUDNA-ARFHVFGLSA-N 2 2 305.491 3.394 20 30 DGEDLP CCC[NH+]1CCC([NH+]2CCC(C#N)(c3ccccc3)CC2)CC1 ZINC001258771810 1106967236 /nfs/dbraw/zinc/96/72/36/1106967236.db2.gz VZDVQWFFBNWZLF-UHFFFAOYSA-N 2 2 311.473 3.418 20 30 DGEDLP Cc1cc([NH2+]C2CCC(C#N)CC2)ccc1N1CC[NH+](C)CC1 ZINC001262008425 1107570747 /nfs/dbraw/zinc/57/07/47/1107570747.db2.gz LTNDBHDQOITHRP-UHFFFAOYSA-N 2 2 312.461 3.241 20 30 DGEDLP Cc1c[nH+]ccc1OC1CC[NH+](Cc2ccc(C#N)s2)CC1 ZINC000278714285 214348789 /nfs/dbraw/zinc/34/87/89/214348789.db2.gz OUGASVVAJJUSSH-UHFFFAOYSA-N 2 2 313.426 3.367 20 30 DGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]C[C@H]3CC=CCC3)CC2)cc1 ZINC000181589887 199322778 /nfs/dbraw/zinc/32/27/78/199322778.db2.gz ZWYAXQIYLVOCPD-SFHVURJKSA-N 2 2 309.457 3.469 20 30 DGEDLP C[N@H+](CCCn1cc[nH+]c1)Cc1cccc(OCCCC#N)c1 ZINC000349410435 529898773 /nfs/dbraw/zinc/89/87/73/529898773.db2.gz UCKICBYHOCRERM-UHFFFAOYSA-N 2 2 312.417 3.088 20 30 DGEDLP C[N@@H+](CCCn1cc[nH+]c1)Cc1cccc(OCCCC#N)c1 ZINC000349410435 529898774 /nfs/dbraw/zinc/89/87/74/529898774.db2.gz UCKICBYHOCRERM-UHFFFAOYSA-N 2 2 312.417 3.088 20 30 DGEDLP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CCC(F)(C#N)CC1 ZINC000348718200 529999142 /nfs/dbraw/zinc/99/91/42/529999142.db2.gz WGLQARBLQVMHQL-UHFFFAOYSA-N 2 2 317.452 3.472 20 30 DGEDLP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CCC(F)(C#N)CC1 ZINC000348718200 529999145 /nfs/dbraw/zinc/99/91/45/529999145.db2.gz WGLQARBLQVMHQL-UHFFFAOYSA-N 2 2 317.452 3.472 20 30 DGEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)c2cc(OC)c(OC)cc2C)CC1 ZINC000177905762 186201952 /nfs/dbraw/zinc/20/19/52/186201952.db2.gz YLKWJHXWOJIXOL-HNNXBMFYSA-N 2 2 318.461 3.313 20 30 DGEDLP C=CC[NH+]1CCC([NH2+][C@H](CC)c2ccc3c(c2)OCCO3)CC1 ZINC000177907427 186203001 /nfs/dbraw/zinc/20/30/01/186203001.db2.gz IJIDULIKQYHCKT-QGZVFWFLSA-N 2 2 316.445 3.149 20 30 DGEDLP N#Cc1ccc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)s1 ZINC000180785017 199208725 /nfs/dbraw/zinc/20/87/25/199208725.db2.gz MPICXJGJQVEVJX-DYVFJYSZSA-N 2 2 301.459 3.068 20 30 DGEDLP N#Cc1ccc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)s1 ZINC000180785017 199208727 /nfs/dbraw/zinc/20/87/27/199208727.db2.gz MPICXJGJQVEVJX-DYVFJYSZSA-N 2 2 301.459 3.068 20 30 DGEDLP N#Cc1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)s1 ZINC000180785017 199208728 /nfs/dbraw/zinc/20/87/28/199208728.db2.gz MPICXJGJQVEVJX-DYVFJYSZSA-N 2 2 301.459 3.068 20 30 DGEDLP N#Cc1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)s1 ZINC000180785017 199208730 /nfs/dbraw/zinc/20/87/30/199208730.db2.gz MPICXJGJQVEVJX-DYVFJYSZSA-N 2 2 301.459 3.068 20 30 DGEDLP COc1ccc([C@@H]([NH2+]CC(C)(C)CC#N)[C@H]2CCC[NH2+]2)cc1 ZINC000423172428 237829329 /nfs/dbraw/zinc/82/93/29/237829329.db2.gz SXGBZXPWMGVPKU-IAGOWNOFSA-N 2 2 301.434 3.018 20 30 DGEDLP COc1ccc(C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)cc1C#N ZINC000135092430 432097726 /nfs/dbraw/zinc/09/77/26/432097726.db2.gz JFIBMPHKHOBJTR-GOSISDBHSA-N 2 2 313.445 3.017 20 30 DGEDLP COc1ccc(C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)cc1C#N ZINC000135092430 432097731 /nfs/dbraw/zinc/09/77/31/432097731.db2.gz JFIBMPHKHOBJTR-GOSISDBHSA-N 2 2 313.445 3.017 20 30 DGEDLP C=CCCCC[C@H](C)[NH2+]C1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000449104769 240020309 /nfs/dbraw/zinc/02/03/09/240020309.db2.gz BFOUZLPNZPVFFA-KRWDZBQOSA-N 3 2 307.526 3.270 20 30 DGEDLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H](C)c2ccc(C#N)cc2)cn1 ZINC000181540540 432134638 /nfs/dbraw/zinc/13/46/38/432134638.db2.gz YKGFUCMKOSJTMI-CQSZACIVSA-N 2 2 317.396 3.298 20 30 DGEDLP CCC[NH+]1CCC([N@H+](C)Cc2cn3ccccc3c2C#N)CC1 ZINC000109788408 194284524 /nfs/dbraw/zinc/28/45/24/194284524.db2.gz DFXRSBQHHORILL-UHFFFAOYSA-N 2 2 310.445 3.117 20 30 DGEDLP CCC[NH+]1CCC([N@@H+](C)Cc2cn3ccccc3c2C#N)CC1 ZINC000109788408 194284526 /nfs/dbraw/zinc/28/45/26/194284526.db2.gz DFXRSBQHHORILL-UHFFFAOYSA-N 2 2 310.445 3.117 20 30 DGEDLP C[NH+](C)Cc1ccc(C[NH2+]Cc2ccc(C#N)cc2F)cc1F ZINC000342826601 254060420 /nfs/dbraw/zinc/06/04/20/254060420.db2.gz RZFGNXMDKQGCON-UHFFFAOYSA-N 2 2 315.367 3.188 20 30 DGEDLP N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000585765691 400139366 /nfs/dbraw/zinc/13/93/66/400139366.db2.gz SROYIKPHJFQFHR-GOSISDBHSA-N 2 2 306.413 3.258 20 30 DGEDLP Cc1c[nH+]ccc1CC[NH2+]C1(c2cccc(C#N)c2)CCOCC1 ZINC000595769852 400254349 /nfs/dbraw/zinc/25/43/49/400254349.db2.gz ULPLLZTWAINHHH-UHFFFAOYSA-N 2 2 321.424 3.100 20 30 DGEDLP CC[C@H]1C[N@H+](Cc2ccc(C#N)cc2C(F)(F)F)CC[C@@H]1[NH3+] ZINC000595895502 400289376 /nfs/dbraw/zinc/28/93/76/400289376.db2.gz OGNSZKLNKUHLAB-WFASDCNBSA-N 2 2 311.351 3.136 20 30 DGEDLP CC[C@H]1C[N@@H+](Cc2ccc(C#N)cc2C(F)(F)F)CC[C@@H]1[NH3+] ZINC000595895502 400289382 /nfs/dbraw/zinc/28/93/82/400289382.db2.gz OGNSZKLNKUHLAB-WFASDCNBSA-N 2 2 311.351 3.136 20 30 DGEDLP C[C@@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccccc1)c1ccc(C#N)c(F)c1 ZINC000596648046 400470834 /nfs/dbraw/zinc/47/08/34/400470834.db2.gz GRZBQWHTPZXCAE-LXGCGDOSSA-N 2 2 323.415 3.494 20 30 DGEDLP C=CCCSCC[NH2+][C@H](c1ccc(OC)cc1)[C@@H]1CCC[NH2+]1 ZINC000596650217 400472036 /nfs/dbraw/zinc/47/20/36/400472036.db2.gz JMXUUGKHRLVDHG-ZWKOTPCHSA-N 2 2 320.502 3.387 20 30 DGEDLP N#C[C@H]1CCC[C@H]([NH2+][C@H]2C[NH2+]CC[C@H]2c2ccc(F)c(F)c2)C1 ZINC000596648857 400472305 /nfs/dbraw/zinc/47/23/05/400472305.db2.gz GKQCLPGTIDUPDQ-OWCBBSPXSA-N 2 2 319.399 3.082 20 30 DGEDLP C=CCCSCC[NH2+][C@@H](c1ccc(OC)cc1)[C@H]1CCC[NH2+]1 ZINC000596650214 400472369 /nfs/dbraw/zinc/47/23/69/400472369.db2.gz JMXUUGKHRLVDHG-MSOLQXFVSA-N 2 2 320.502 3.387 20 30 DGEDLP COc1ccc([C@H](C[NH2+]C[C@@H](C)CCC#N)[NH+]2CCCC2)cc1 ZINC000602505858 400482259 /nfs/dbraw/zinc/48/22/59/400482259.db2.gz AYKNSXFLGRDPES-LPHOPBHVSA-N 2 2 315.461 3.362 20 30 DGEDLP CC(C)(C#N)C[NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000612585471 400570450 /nfs/dbraw/zinc/57/04/50/400570450.db2.gz GELKJAANLCKYGM-UHFFFAOYSA-N 2 2 305.853 3.444 20 30 DGEDLP Cc1cccc2[nH+]c(CC[NH2+][C@@H](C)c3cccc(C#N)c3)cn21 ZINC000592402499 400647521 /nfs/dbraw/zinc/64/75/21/400647521.db2.gz IMJSQQJEYCZWID-HNNXBMFYSA-N 2 2 304.397 3.408 20 30 DGEDLP N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+][C@@H]1CC[N@H+](CC2CC2)C1 ZINC000619508250 400858172 /nfs/dbraw/zinc/85/81/72/400858172.db2.gz CUGPNHFOHZHINX-UYAOXDASSA-N 2 2 309.457 3.400 20 30 DGEDLP N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+][C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000619508250 400858177 /nfs/dbraw/zinc/85/81/77/400858177.db2.gz CUGPNHFOHZHINX-UYAOXDASSA-N 2 2 309.457 3.400 20 30 DGEDLP N#Cc1cccc(C[NH+]2CCC([NH2+][C@H]3CCC[C@H](C#N)C3)CC2)c1 ZINC000593701978 400896115 /nfs/dbraw/zinc/89/61/15/400896115.db2.gz JHAMEMWGTJDCJI-PXNSSMCTSA-N 2 2 322.456 3.195 20 30 DGEDLP C[C@H]1C[C@@H]([NH2+]CCc2ccc(C#N)cc2)C[N@@H+]1Cc1ccccc1 ZINC000594956278 401206620 /nfs/dbraw/zinc/20/66/20/401206620.db2.gz WMHSROSOPNPPAY-LAUBAEHRSA-N 2 2 319.452 3.353 20 30 DGEDLP C[C@H]1C[C@@H]([NH2+]CCc2ccc(C#N)cc2)C[N@H+]1Cc1ccccc1 ZINC000594956278 401206626 /nfs/dbraw/zinc/20/66/26/401206626.db2.gz WMHSROSOPNPPAY-LAUBAEHRSA-N 2 2 319.452 3.353 20 30 DGEDLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+]Cc2cccc(C#N)c2)CC1 ZINC000130991881 196129229 /nfs/dbraw/zinc/12/92/29/196129229.db2.gz PJHFTURRJUWJSL-MRXNPFEDSA-N 2 2 320.440 3.268 20 30 DGEDLP Cc1c[nH+]ccc1CC[NH2+]Cc1ccc(N(C)CCC#N)cc1 ZINC000270015480 432226400 /nfs/dbraw/zinc/22/64/00/432226400.db2.gz VKCVSOQSRFLSLM-UHFFFAOYSA-N 2 2 308.429 3.072 20 30 DGEDLP C[C@H]1C[C@@H]([NH2+]Cc2cccc(OCCCC#N)c2)C[N@@H+]1C1CC1 ZINC000151105999 432220499 /nfs/dbraw/zinc/22/04/99/432220499.db2.gz JIYODVYZZJTZIH-DOTOQJQBSA-N 2 2 313.445 3.084 20 30 DGEDLP C[C@H]1C[C@@H]([NH2+]Cc2cccc(OCCCC#N)c2)C[N@H+]1C1CC1 ZINC000151105999 432220503 /nfs/dbraw/zinc/22/05/03/432220503.db2.gz JIYODVYZZJTZIH-DOTOQJQBSA-N 2 2 313.445 3.084 20 30 DGEDLP N#CCCCOc1cccc(C[NH2+][C@@H]2CC[N@@H+]3CCCC[C@H]23)c1 ZINC000338956380 229072634 /nfs/dbraw/zinc/07/26/34/229072634.db2.gz YBBDRDAQPVRTKI-RTBURBONSA-N 2 2 313.445 3.086 20 30 DGEDLP N#CCCCOc1cccc(C[NH2+][C@@H]2CC[N@H+]3CCCC[C@H]23)c1 ZINC000338956380 229072637 /nfs/dbraw/zinc/07/26/37/229072637.db2.gz YBBDRDAQPVRTKI-RTBURBONSA-N 2 2 313.445 3.086 20 30 DGEDLP C[NH+](C)Cc1cnc(C[NH2+][C@H](CCC#N)c2ccccc2)s1 ZINC000352759785 229261571 /nfs/dbraw/zinc/26/15/71/229261571.db2.gz LKHMLSHWXXNYPJ-MRXNPFEDSA-N 2 2 314.458 3.339 20 30 DGEDLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000404064083 267055264 /nfs/dbraw/zinc/05/52/64/267055264.db2.gz NDLXGKGPWIJLCS-QRWLVFNGSA-N 2 2 323.415 3.307 20 30 DGEDLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000404064083 267055265 /nfs/dbraw/zinc/05/52/65/267055265.db2.gz NDLXGKGPWIJLCS-QRWLVFNGSA-N 2 2 323.415 3.307 20 30 DGEDLP C=CC[NH+]1CCC([NH2+][C@H]2CCCc3nc(Cl)ccc32)CC1 ZINC000297953234 275427456 /nfs/dbraw/zinc/42/74/56/275427456.db2.gz YTJOOMZYLAZWET-HNNXBMFYSA-N 2 2 305.853 3.352 20 30 DGEDLP C=CC[NH+]1CCC([NH2+][C@H]2CSCCc3ccccc32)CC1 ZINC000177911806 275427555 /nfs/dbraw/zinc/42/75/55/275427555.db2.gz QPLSQNPQQPIREK-SFHVURJKSA-N 2 2 302.487 3.257 20 30 DGEDLP C[N@@H+]1CCCC12CC[NH+](CC#Cc1cccc(Cl)c1)CC2 ZINC000371688015 277042028 /nfs/dbraw/zinc/04/20/28/277042028.db2.gz CEXKAURLGJQYGG-UHFFFAOYSA-N 2 2 302.849 3.252 20 30 DGEDLP C[N@H+]1CCCC12CC[NH+](CC#Cc1cccc(Cl)c1)CC2 ZINC000371688015 277042030 /nfs/dbraw/zinc/04/20/30/277042030.db2.gz CEXKAURLGJQYGG-UHFFFAOYSA-N 2 2 302.849 3.252 20 30 DGEDLP C[C@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)c1cccc(C#N)c1 ZINC000124349396 431891012 /nfs/dbraw/zinc/89/10/12/431891012.db2.gz ZATCEJMTFWWIDB-HNNXBMFYSA-N 2 2 306.413 3.273 20 30 DGEDLP N#Cc1ccc(C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)cc1F ZINC000192042723 432327221 /nfs/dbraw/zinc/32/72/21/432327221.db2.gz HJFCYWFAOIUTHP-MRXNPFEDSA-N 2 2 301.409 3.005 20 30 DGEDLP N#Cc1ccc(C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)cc1F ZINC000192042723 432327227 /nfs/dbraw/zinc/32/72/27/432327227.db2.gz HJFCYWFAOIUTHP-MRXNPFEDSA-N 2 2 301.409 3.005 20 30 DGEDLP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccc(C#N)o2)[C@@H]1c1cccs1 ZINC000174460251 432349463 /nfs/dbraw/zinc/34/94/63/432349463.db2.gz DIBBJPIRORKHML-SUMWQHHRSA-N 2 2 315.442 3.385 20 30 DGEDLP C[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc(C#N)o2)[C@@H]1c1cccs1 ZINC000174460251 432349466 /nfs/dbraw/zinc/34/94/66/432349466.db2.gz DIBBJPIRORKHML-SUMWQHHRSA-N 2 2 315.442 3.385 20 30 DGEDLP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+]Cc2cccc(C#N)c2)C1 ZINC000262015887 432466911 /nfs/dbraw/zinc/46/69/11/432466911.db2.gz VXKRFWRFSLWPBB-JXFKEZNVSA-N 2 2 305.425 3.483 20 30 DGEDLP C[C@@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+]Cc2cccc(C#N)c2)C1 ZINC000262015887 432466918 /nfs/dbraw/zinc/46/69/18/432466918.db2.gz VXKRFWRFSLWPBB-JXFKEZNVSA-N 2 2 305.425 3.483 20 30 DGEDLP N#Cc1ccc(C[NH2+]C[C@H]2CCC[N@@H+]2Cc2ccccc2)s1 ZINC000176970246 432570468 /nfs/dbraw/zinc/57/04/68/432570468.db2.gz JSZYFESJONIDQK-MRXNPFEDSA-N 2 2 311.454 3.374 20 30 DGEDLP N#Cc1ccc(C[NH2+]C[C@H]2CCC[N@H+]2Cc2ccccc2)s1 ZINC000176970246 432570473 /nfs/dbraw/zinc/57/04/73/432570473.db2.gz JSZYFESJONIDQK-MRXNPFEDSA-N 2 2 311.454 3.374 20 30 DGEDLP C=CC[NH+]1CCC([NH2+][C@H]2CCCc3cc(OC)ccc32)CC1 ZINC000177912257 432672762 /nfs/dbraw/zinc/67/27/62/432672762.db2.gz YIAHUEFCAGYHSO-IBGZPJMESA-N 2 2 300.446 3.313 20 30 DGEDLP C=CC[NH+]1CCC([NH2+][C@H](COC)c2cccc(Cl)c2)CC1 ZINC000289634155 432971177 /nfs/dbraw/zinc/97/11/77/432971177.db2.gz HLRSGDADAXRHHN-QGZVFWFLSA-N 2 2 308.853 3.268 20 30 DGEDLP C#Cc1ccc(C[N@@H+](Cc2ccco2)C2CC[NH+](C)CC2)cc1 ZINC000290290639 433026915 /nfs/dbraw/zinc/02/69/15/433026915.db2.gz AJWDMFRURQVUGN-UHFFFAOYSA-N 2 2 308.425 3.357 20 30 DGEDLP C#Cc1ccc(C[N@H+](Cc2ccco2)C2CC[NH+](C)CC2)cc1 ZINC000290290639 433026918 /nfs/dbraw/zinc/02/69/18/433026918.db2.gz AJWDMFRURQVUGN-UHFFFAOYSA-N 2 2 308.425 3.357 20 30 DGEDLP Cc1cc(NC2CCC([NH+]3CCC(C)CC3)CC2)c(C#N)c[nH+]1 ZINC000333502012 433060915 /nfs/dbraw/zinc/06/09/15/433060915.db2.gz SGLSRZCOUABSFV-UHFFFAOYSA-N 2 2 312.461 3.139 20 30 DGEDLP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000280609874 433106474 /nfs/dbraw/zinc/10/64/74/433106474.db2.gz KBZFXBWVPUYINX-RNQOJCNYSA-N 2 2 314.473 3.078 20 30 DGEDLP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000280609874 433106477 /nfs/dbraw/zinc/10/64/77/433106477.db2.gz KBZFXBWVPUYINX-RNQOJCNYSA-N 2 2 314.473 3.078 20 30 DGEDLP Cc1cc(NC[C@@H](c2ccccc2Cl)[NH+](C)C)c(C#N)c[nH+]1 ZINC000425204075 433120261 /nfs/dbraw/zinc/12/02/61/433120261.db2.gz SUJQFOVJEDZCIO-KRWDZBQOSA-N 2 2 314.820 3.052 20 30 DGEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2ccnn2-c2ccccc2C)CC1 ZINC000280916625 433221781 /nfs/dbraw/zinc/22/17/81/433221781.db2.gz PKYDFQDSGFMVAI-UHFFFAOYSA-N 2 2 324.472 3.311 20 30 DGEDLP C=CCC(C)(C)CNc1[nH+]cnc2c1cnn2-c1cc[nH+]cc1 ZINC000414212339 433462606 /nfs/dbraw/zinc/46/26/06/433462606.db2.gz PPNWBCXCSNWZIF-UHFFFAOYSA-N 2 2 308.389 3.225 20 30 DGEDLP C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000436294193 433927605 /nfs/dbraw/zinc/92/76/05/433927605.db2.gz FTMUCFSTSOLKPE-UFYCRDLUSA-N 2 2 314.473 3.222 20 30 DGEDLP C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000436294193 433927616 /nfs/dbraw/zinc/92/76/16/433927616.db2.gz FTMUCFSTSOLKPE-UFYCRDLUSA-N 2 2 314.473 3.222 20 30 DGEDLP Cc1[nH+]c2ccccc2n1CC[NH2+][C@@H]1CCc2ccc(C#N)cc21 ZINC000353255708 434071929 /nfs/dbraw/zinc/07/19/29/434071929.db2.gz NYGUTDZDLHALQR-GOSISDBHSA-N 2 2 316.408 3.494 20 30 DGEDLP COc1ccc([C@H]([NH2+]CC(C)(C)CC#N)[C@@H]2CCC[NH2+]2)cc1 ZINC000423172429 434260711 /nfs/dbraw/zinc/26/07/11/434260711.db2.gz SXGBZXPWMGVPKU-IRXDYDNUSA-N 2 2 301.434 3.018 20 30 DGEDLP CCCCCCCCC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000364206584 434262927 /nfs/dbraw/zinc/26/29/27/434262927.db2.gz KREWAKJDFIXSQP-QGZVFWFLSA-N 2 2 323.525 3.022 20 30 DGEDLP CCCCCCCCC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000364206584 434262932 /nfs/dbraw/zinc/26/29/32/434262932.db2.gz KREWAKJDFIXSQP-QGZVFWFLSA-N 2 2 323.525 3.022 20 30 DGEDLP Cc1[nH+]ccn1CC[NH+]1CCC(NC(=O)C2CCCCC2)CC1 ZINC000328873867 434321718 /nfs/dbraw/zinc/32/17/18/434321718.db2.gz FIHDKVCGOHEGCV-UHFFFAOYSA-N 2 2 318.465 3.193 20 30 DGEDLP C[C@H]1C[C@@H]([NH2+]Cc2ccc(C#N)c(F)c2)C[N@@H+]1Cc1ccccc1 ZINC000403971924 434506940 /nfs/dbraw/zinc/50/69/40/434506940.db2.gz BWJPUROYPMEHRZ-HNAYVOBHSA-N 2 2 323.415 3.450 20 30 DGEDLP C[C@H]1C[C@@H]([NH2+]Cc2ccc(C#N)c(F)c2)C[N@H+]1Cc1ccccc1 ZINC000403971924 434506946 /nfs/dbraw/zinc/50/69/46/434506946.db2.gz BWJPUROYPMEHRZ-HNAYVOBHSA-N 2 2 323.415 3.450 20 30 DGEDLP CCCCCCCC[N@@H+]1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000367022442 434534585 /nfs/dbraw/zinc/53/45/85/434534585.db2.gz SXWWSYDZVCMMLN-RTBURBONSA-N 2 2 309.542 3.305 20 30 DGEDLP CCCCCCCC[N@H+]1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000367022442 434534590 /nfs/dbraw/zinc/53/45/90/434534590.db2.gz SXWWSYDZVCMMLN-RTBURBONSA-N 2 2 309.542 3.305 20 30 DGEDLP C#CC[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)nc1)c1ccccc1 ZINC000372301597 434821048 /nfs/dbraw/zinc/82/10/48/434821048.db2.gz KLFFBHLDAPOHEK-GOSISDBHSA-N 2 2 302.381 3.122 20 30 DGEDLP C[C@H]1C[C@H]([NH2+]CCc2cccc(C#N)c2)C[N@@H+]1Cc1ccccc1 ZINC000466420443 435077049 /nfs/dbraw/zinc/07/70/49/435077049.db2.gz AZZXIYWEMQCILY-UWJYYQICSA-N 2 2 319.452 3.353 20 30 DGEDLP C[C@H]1C[C@H]([NH2+]CCc2cccc(C#N)c2)C[N@H+]1Cc1ccccc1 ZINC000466420443 435077054 /nfs/dbraw/zinc/07/70/54/435077054.db2.gz AZZXIYWEMQCILY-UWJYYQICSA-N 2 2 319.452 3.353 20 30 DGEDLP Cc1ccoc1C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000491429568 435750285 /nfs/dbraw/zinc/75/02/85/435750285.db2.gz HLZNQEFYALLMAV-UHFFFAOYSA-N 2 2 309.413 3.214 20 30 DGEDLP C=CC[C@@H]1CC[C@H]([NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000651681937 435791136 /nfs/dbraw/zinc/79/11/36/435791136.db2.gz GEEXCWCTKVDONC-XLIONFOSSA-N 2 2 314.473 3.353 20 30 DGEDLP C[N@@H+]1CC[C@]2(C1)CCC[NH+](CC#Cc1ccc(Cl)cc1)C2 ZINC000660659114 435843265 /nfs/dbraw/zinc/84/32/65/435843265.db2.gz NHLUCJAZGRTKRB-SFHVURJKSA-N 2 2 302.849 3.109 20 30 DGEDLP C[N@H+]1CC[C@]2(C1)CCC[NH+](CC#Cc1ccc(Cl)cc1)C2 ZINC000660659114 435843273 /nfs/dbraw/zinc/84/32/73/435843273.db2.gz NHLUCJAZGRTKRB-SFHVURJKSA-N 2 2 302.849 3.109 20 30 DGEDLP C[NH+]1CC[C@]2(C1)CCC[N@H+](CC#Cc1ccc(Cl)cc1)C2 ZINC000660659114 435843277 /nfs/dbraw/zinc/84/32/77/435843277.db2.gz NHLUCJAZGRTKRB-SFHVURJKSA-N 2 2 302.849 3.109 20 30 DGEDLP C[NH+]1CC[C@]2(C1)CCC[N@@H+](CC#Cc1ccc(Cl)cc1)C2 ZINC000660659114 435843282 /nfs/dbraw/zinc/84/32/82/435843282.db2.gz NHLUCJAZGRTKRB-SFHVURJKSA-N 2 2 302.849 3.109 20 30 DGEDLP C=CC[N@@H+](C[C@@H](O)Cn1c[nH+]c2cc(C)c(C)cc21)C(C)(C)C ZINC000661755342 436179745 /nfs/dbraw/zinc/17/97/45/436179745.db2.gz OXTDDDMBXNTSHL-INIZCTEOSA-N 2 2 315.461 3.301 20 30 DGEDLP C=CC[N@H+](C[C@@H](O)Cn1c[nH+]c2cc(C)c(C)cc21)C(C)(C)C ZINC000661755342 436179753 /nfs/dbraw/zinc/17/97/53/436179753.db2.gz OXTDDDMBXNTSHL-INIZCTEOSA-N 2 2 315.461 3.301 20 30 DGEDLP Cc1cc[nH+]cc1CCC[N@@H+](C)CCOCc1ccc(C#N)cc1 ZINC000564324775 315168929 /nfs/dbraw/zinc/16/89/29/315168929.db2.gz ZMSSNZZZXLAQBT-UHFFFAOYSA-N 2 2 323.440 3.343 20 30 DGEDLP Cc1cc[nH+]cc1CCC[N@H+](C)CCOCc1ccc(C#N)cc1 ZINC000564324775 315168930 /nfs/dbraw/zinc/16/89/30/315168930.db2.gz ZMSSNZZZXLAQBT-UHFFFAOYSA-N 2 2 323.440 3.343 20 30 DGEDLP C=CC[NH+](CC=C)[C@H](C[NH2+][C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C)C(C)C ZINC000537297183 337929216 /nfs/dbraw/zinc/92/92/16/337929216.db2.gz OYVKIEPZDGBXNG-MANSERQUSA-N 2 2 320.521 3.478 20 30 DGEDLP C=C(C)C[N@H+](CC)CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000509327613 340266318 /nfs/dbraw/zinc/26/63/18/340266318.db2.gz LSGZBNBBQMCDPZ-UHFFFAOYSA-N 2 2 301.478 3.097 20 30 DGEDLP C=C(C)C[N@@H+](CC)CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000509327613 340266319 /nfs/dbraw/zinc/26/63/19/340266319.db2.gz LSGZBNBBQMCDPZ-UHFFFAOYSA-N 2 2 301.478 3.097 20 30 DGEDLP C=CC[NH+]1CCC([NH2+]C2CC[NH+](C3CCCCC3)CC2)CC1 ZINC000358678639 526450815 /nfs/dbraw/zinc/45/08/15/526450815.db2.gz MEJRXEFGJNWVMJ-UHFFFAOYSA-N 3 2 305.510 3.024 20 30 DGEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CCC[C@H](CCCC(=O)OC)C2)CC1 ZINC000339242696 526454173 /nfs/dbraw/zinc/45/41/73/526454173.db2.gz PRHAXTYQOOEKFV-SJLPKXTDSA-N 2 2 322.493 3.129 20 30 DGEDLP C=CC[NH+]1CCC([NH2+][C@H](C)c2ccc(N(C)CC)cc2)CC1 ZINC000177906167 526454944 /nfs/dbraw/zinc/45/49/44/526454944.db2.gz DTRQXFIDIXRUOR-MRXNPFEDSA-N 2 2 301.478 3.444 20 30 DGEDLP C=CCOCCC[N@@H+](CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000348036029 526748490 /nfs/dbraw/zinc/74/84/90/526748490.db2.gz PPCZVFSWMRBSRY-UHFFFAOYSA-N 2 2 317.477 3.213 20 30 DGEDLP C=CCOCCC[N@H+](CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000348036029 526748494 /nfs/dbraw/zinc/74/84/94/526748494.db2.gz PPCZVFSWMRBSRY-UHFFFAOYSA-N 2 2 317.477 3.213 20 30 DGEDLP C=CCOc1ccc(C[NH2+][C@@H]2C[NH2+]C[C@H]2c2ccccc2)cc1 ZINC000415034649 526888990 /nfs/dbraw/zinc/88/89/90/526888990.db2.gz CVJQGGABPSKPGD-VQTJNVASSA-N 2 2 308.425 3.097 20 30 DGEDLP C=CCOc1cccc(C[N@@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)c1 ZINC000354025935 526901761 /nfs/dbraw/zinc/90/17/61/526901761.db2.gz LBZVRKUKATUZAZ-IBGZPJMESA-N 2 2 310.397 3.300 20 30 DGEDLP C=CCOc1cccc(C[N@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)c1 ZINC000354025935 526901768 /nfs/dbraw/zinc/90/17/68/526901768.db2.gz LBZVRKUKATUZAZ-IBGZPJMESA-N 2 2 310.397 3.300 20 30 DGEDLP C#CCOc1ccc([C@H](C)[NH2+]CCc2cn3ccccc3[nH+]2)cc1 ZINC000130593512 527115174 /nfs/dbraw/zinc/11/51/74/527115174.db2.gz IQYFFTPYBOTOIW-INIZCTEOSA-N 2 2 319.408 3.240 20 30 DGEDLP C[C@@H]1C[C@@H]([NH2+]CC#Cc2ccc(C(F)(F)F)cc2)CC[N@@H+]1C ZINC000181214483 546155228 /nfs/dbraw/zinc/15/52/28/546155228.db2.gz FZRLTANXCOAQLP-CJNGLKHVSA-N 2 2 310.363 3.129 20 30 DGEDLP C[C@@H]1C[C@@H]([NH2+]CC#Cc2ccc(C(F)(F)F)cc2)CC[N@H+]1C ZINC000181214483 546155233 /nfs/dbraw/zinc/15/52/33/546155233.db2.gz FZRLTANXCOAQLP-CJNGLKHVSA-N 2 2 310.363 3.129 20 30 DGEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2cc(Cl)ccc2OC)CC1 ZINC000730019570 575269947 /nfs/dbraw/zinc/26/99/47/575269947.db2.gz LPYGMNUSYCEWSM-UHFFFAOYSA-N 2 2 308.853 3.479 20 30 DGEDLP C#CCCCOc1ccc[nH+]c1N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000853411634 620693829 /nfs/dbraw/zinc/69/38/29/620693829.db2.gz PMIXZCADLDQRCY-JKSUJKDBSA-N 2 2 301.434 3.159 20 30 DGEDLP CC1([NH+]2CCC2)CC[NH+](Cc2ccc(C3(C#N)CC3)cc2)CC1 ZINC000895670838 618816183 /nfs/dbraw/zinc/81/61/83/618816183.db2.gz GYPHAKHWOADAOB-UHFFFAOYSA-N 2 2 309.457 3.302 20 30 DGEDLP C#CCOc1ccccc1C[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000896198130 618884099 /nfs/dbraw/zinc/88/40/99/618884099.db2.gz JXOSTIJDZBPFIT-UHFFFAOYSA-N 2 2 321.424 3.170 20 30 DGEDLP CC[C@@H]([NH2+]CCC1CC[NH+](CC)CC1)c1cccc(C#N)c1O ZINC000925151053 619052686 /nfs/dbraw/zinc/05/26/86/619052686.db2.gz JEUSUMCIJJTAIH-GOSISDBHSA-N 2 2 315.461 3.427 20 30 DGEDLP C[C@H](CC(C)(C)C#N)[NH2+]CC1([NH+]2CCSCC2)CCCC1 ZINC000924656914 619254355 /nfs/dbraw/zinc/25/43/55/619254355.db2.gz SQVAOCSXJQOXOA-OAHLLOKOSA-N 2 2 309.523 3.266 20 30 DGEDLP CC[C@H]([NH2+]C[C@]1([NH+](C)C)CCSC1)c1cccc(C#N)c1 ZINC000902831837 619681869 /nfs/dbraw/zinc/68/18/69/619681869.db2.gz OEFMXQUFHZSWGM-DLBZAZTESA-N 2 2 303.475 3.036 20 30 DGEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)c2cccc(COC(C)=O)c2)CC1 ZINC000903091739 619718760 /nfs/dbraw/zinc/71/87/60/619718760.db2.gz ZPIAIQAASLWNEG-HNNXBMFYSA-N 2 2 316.445 3.051 20 30 DGEDLP CC(C)(C)c1cn2c([nH+]1)CC[C@H]([NH2+]Cc1csc(C#N)c1)C2 ZINC000921646583 620926891 /nfs/dbraw/zinc/92/68/91/620926891.db2.gz XNVKLLUMJIISGY-ZDUSSCGKSA-N 2 2 314.458 3.218 20 30 DGEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2cn(C)nc2C2CCCC2)CC1 ZINC000921702814 620937124 /nfs/dbraw/zinc/93/71/24/620937124.db2.gz NVLYUYFTSDTBDI-UHFFFAOYSA-N 2 2 316.493 3.208 20 30 DGEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2cc(F)c(N(C)C)cc2F)CC1 ZINC000858128149 621155595 /nfs/dbraw/zinc/15/55/95/621155595.db2.gz CFZUIPUQDDTVNC-UHFFFAOYSA-N 2 2 323.431 3.161 20 30 DGEDLP CCCC[NH+]1CCC([NH2+][C@H](C)c2cccc(C#N)c2O)CC1 ZINC000866248199 622075425 /nfs/dbraw/zinc/07/54/25/622075425.db2.gz ASISJLVUVLAZCW-CQSZACIVSA-N 2 2 301.434 3.179 20 30 DGEDLP C=CC[NH+]1CCC([NH2+][C@H](C)c2cnn(-c3ccccc3)c2C)CC1 ZINC000765833180 622290306 /nfs/dbraw/zinc/29/03/06/622290306.db2.gz KZMYKSVZWXANLU-MRXNPFEDSA-N 2 2 324.472 3.482 20 30 DGEDLP C=C(Br)C[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000125050723 623292902 /nfs/dbraw/zinc/29/29/02/623292902.db2.gz WSLXSXWIDIWRKV-UHFFFAOYSA-N 2 2 323.278 3.192 20 30 DGEDLP CC(C)C[N@@H+]1CCC[C@H](C[NH2+]Cc2cc(C#N)cnc2Cl)C1 ZINC000877114813 623794067 /nfs/dbraw/zinc/79/40/67/623794067.db2.gz CQWONMVTJDCEDR-CQSZACIVSA-N 2 2 320.868 3.064 20 30 DGEDLP CC(C)C[N@H+]1CCC[C@H](C[NH2+]Cc2cc(C#N)cnc2Cl)C1 ZINC000877114813 623794068 /nfs/dbraw/zinc/79/40/68/623794068.db2.gz CQWONMVTJDCEDR-CQSZACIVSA-N 2 2 320.868 3.064 20 30 DGEDLP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+]Cc2cc(C#N)cnc2Cl)C1 ZINC000877114812 623794216 /nfs/dbraw/zinc/79/42/16/623794216.db2.gz CQWONMVTJDCEDR-AWEZNQCLSA-N 2 2 320.868 3.064 20 30 DGEDLP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]Cc2cc(C#N)cnc2Cl)C1 ZINC000877114812 623794220 /nfs/dbraw/zinc/79/42/20/623794220.db2.gz CQWONMVTJDCEDR-AWEZNQCLSA-N 2 2 320.868 3.064 20 30 DGEDLP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]Cc2ccc(C#N)cn2)CC1 ZINC000783300111 624335969 /nfs/dbraw/zinc/33/59/69/624335969.db2.gz IGOOLLMFKCMSGS-DNVCBOLYSA-N 2 2 312.461 3.086 20 30 DGEDLP C=CCC[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)[C@H]1CCCO1 ZINC000883178798 625956235 /nfs/dbraw/zinc/95/62/35/625956235.db2.gz FIDOXOFJHPWIJC-RTBURBONSA-N 2 2 311.429 3.476 20 30 DGEDLP C=CC[C@@H]([NH2+]Cc1ncc(C[NH+](C)C)s1)c1ccncc1 ZINC000796310017 626037446 /nfs/dbraw/zinc/03/74/46/626037446.db2.gz ZUNXPLUQQHAJLG-OAHLLOKOSA-N 2 2 302.447 3.007 20 30 DGEDLP C=CCC[C@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)[C@@H]1Cc2ccccc2O1 ZINC000883223288 626613829 /nfs/dbraw/zinc/61/38/29/626613829.db2.gz MASYZGBTCXYAHO-SYNHAJSKSA-N 2 2 323.440 3.195 20 30 DGEDLP C=CCC[C@H](COc1ccccc1)[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000883223310 626614702 /nfs/dbraw/zinc/61/47/02/626614702.db2.gz MPKAVIWFFLVRQL-JKSUJKDBSA-N 2 2 311.429 3.270 20 30 DGEDLP C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000886281055 627130477 /nfs/dbraw/zinc/13/04/77/627130477.db2.gz RCMIUKQFGWZCHX-WUHBCXKYSA-N 2 2 323.484 3.404 20 30 DGEDLP CC[C@H]([NH2+][C@H]1CCC[C@@H]([NH+](C)C)C1)c1cccc(C#N)c1O ZINC000925219093 627720039 /nfs/dbraw/zinc/72/00/39/627720039.db2.gz BOQONAMURTWDGF-UXLLHSPISA-N 2 2 301.434 3.177 20 30 DGEDLP CC[C@@H]([NH2+]C[C@H]([NH3+])c1ccc(N(C)C)cc1)c1ccc(C#N)cc1 ZINC000817944190 627969931 /nfs/dbraw/zinc/96/99/31/627969931.db2.gz YAFFZHJCNLAGRT-VQTJNVASSA-N 2 2 322.456 3.365 20 30 DGEDLP Oc1ccccc1/C=[NH+]\CC1CC[NH+](Cc2ccncc2)CC1 ZINC000849169662 631852341 /nfs/dbraw/zinc/85/23/41/631852341.db2.gz FWAADNQIIZTJHE-STZFKDTASA-N 2 2 309.413 3.118 20 30 DGEDLP C=C(C)C[NH2+][C@H]1CN(C(=O)c2c(C)cc(C)[nH+]c2C)CC1(C)C ZINC000996063068 660274984 /nfs/dbraw/zinc/27/49/84/660274984.db2.gz GQWYGKBJPYIPLB-INIZCTEOSA-N 2 2 315.461 3.023 20 30 DGEDLP C#CCOc1ccccc1C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000247237364 655598918 /nfs/dbraw/zinc/59/89/18/655598918.db2.gz WQSXFSJKKCYLHN-FXAWDEMLSA-N 2 2 324.468 3.147 20 30 DGEDLP C#CCOc1ccccc1C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000247237364 655598919 /nfs/dbraw/zinc/59/89/19/655598919.db2.gz WQSXFSJKKCYLHN-FXAWDEMLSA-N 2 2 324.468 3.147 20 30 DGEDLP C#CCOc1ccccc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000247237364 655598920 /nfs/dbraw/zinc/59/89/20/655598920.db2.gz WQSXFSJKKCYLHN-FXAWDEMLSA-N 2 2 324.468 3.147 20 30 DGEDLP C#CCOc1ccccc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000247237364 655598922 /nfs/dbraw/zinc/59/89/22/655598922.db2.gz WQSXFSJKKCYLHN-FXAWDEMLSA-N 2 2 324.468 3.147 20 30 DGEDLP C=C(C)C[NH2+][C@H]1CCC[C@H](NC(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC000981235947 656655589 /nfs/dbraw/zinc/65/55/89/656655589.db2.gz TYOQGZRTRJFPBS-IRXDYDNUSA-N 2 2 315.461 3.214 20 30 DGEDLP CC(C)CNC(=[NH2+])NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000303893485 657572680 /nfs/dbraw/zinc/57/26/80/657572680.db2.gz OFOBYPKHAGZXQO-MRXNPFEDSA-N 2 2 322.884 3.037 20 30 DGEDLP C[C@@H]1CCCC[C@]1(C[NH3+])[NH2+]Cc1cc(Cl)ccc1OCC#N ZINC001576690038 1191862948 /nfs/dbraw/zinc/86/29/48/1191862948.db2.gz HYXMKESZNRXAQF-CXAGYDPISA-N 2 2 321.852 3.240 20 30 DGEDLP C=CC[C@@]1(C(=O)Nc2ccc(-c3[nH]c(C)c(C)[nH+]3)cc2)CCC[NH2+]1 ZINC001332077195 1178352317 /nfs/dbraw/zinc/35/23/17/1178352317.db2.gz PALPOFHVSJOIEI-IBGZPJMESA-N 2 2 324.428 3.330 20 30 DGEDLP C=CC[N@@H+](CCCNC(=O)c1c(C)cc(C)[nH+]c1C)C(C)C ZINC001493864710 1184752297 /nfs/dbraw/zinc/75/22/97/1184752297.db2.gz BXEDFSKVODGUGE-UHFFFAOYSA-N 2 2 303.450 3.023 20 30 DGEDLP C=CC[N@H+](CCCNC(=O)c1c(C)cc(C)[nH+]c1C)C(C)C ZINC001493864710 1184752301 /nfs/dbraw/zinc/75/23/01/1184752301.db2.gz BXEDFSKVODGUGE-UHFFFAOYSA-N 2 2 303.450 3.023 20 30 DGEDLP C=CCC[NH2+][C@H]1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)C[C@H]1C ZINC001496350398 1185172021 /nfs/dbraw/zinc/17/20/21/1185172021.db2.gz IWUXZDWTNTYWQN-PBHICJAKSA-N 2 2 315.461 3.023 20 30 DGEDLP C=C(C)C[NH2+]Cc1ccc(OCCn2cc[nH+]c2)c(Cl)c1 ZINC001560469432 1189331389 /nfs/dbraw/zinc/33/13/89/1189331389.db2.gz FDRFBYIFGPQMKN-UHFFFAOYSA-N 2 2 305.809 3.281 20 30 DGEDLP C=CCC[C@H](C)[NH2+]CC[C@@H](C)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001568647315 1190573686 /nfs/dbraw/zinc/57/36/86/1190573686.db2.gz XXFLWUHUTCKBSA-UONOGXRCSA-N 2 2 314.433 3.016 20 30 DGEDLP C=CC[NH2+]C[C@H]1CCCC[C@H]1NC(=O)c1c(C)cc(C)[nH+]c1C ZINC001569162123 1190647346 /nfs/dbraw/zinc/64/73/46/1190647346.db2.gz AAUYDECGRHRIJJ-IAGOWNOFSA-N 2 2 315.461 3.071 20 30 DGEDLP C=CC[NH+]1CCC([NH2+]Cc2cc(Cl)ccc2OCC)CC1 ZINC001620772353 1191484649 /nfs/dbraw/zinc/48/46/49/1191484649.db2.gz AVGGCVIRMXCTKZ-UHFFFAOYSA-N 2 2 308.853 3.479 20 30 DGEDLP N#Cc1ccc(C[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)s1 ZINC001651233808 1195430221 /nfs/dbraw/zinc/43/02/21/1195430221.db2.gz FQUYEFSNLPVZHR-UHFFFAOYSA-N 2 2 300.412 3.157 20 30 DGEDLP C=CC[NH+](CC=C)[C@H](C[NH2+][C@H]1CCO[C@H](C(C)C)C1)C(C)C ZINC001655261486 1195896978 /nfs/dbraw/zinc/89/69/78/1195896978.db2.gz JRCMXTZJQUNWPN-OTWHNJEPSA-N 2 2 308.510 3.478 20 30 DGEDLP C=C(C)CC[N@H+](CC)CCNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001663403806 1196858443 /nfs/dbraw/zinc/85/84/43/1196858443.db2.gz OUYRVBMBTOMFLX-UHFFFAOYSA-N 2 2 303.450 3.025 20 30 DGEDLP C=C(C)CC[N@@H+](CC)CCNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001663403806 1196858455 /nfs/dbraw/zinc/85/84/55/1196858455.db2.gz OUYRVBMBTOMFLX-UHFFFAOYSA-N 2 2 303.450 3.025 20 30 DGEDLP C=CCC[C@H](C)[NH2+][C@H](CC)CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001665810128 1197200451 /nfs/dbraw/zinc/20/04/51/1197200451.db2.gz OYKDVIFESWMIHJ-DZGCQCFKSA-N 2 2 314.433 3.016 20 30 DGEDLP C=CCCC[NH2+]CC[C@H](C)NC(=O)c1c(C)cc(C)[nH+]c1C ZINC001668148112 1197401895 /nfs/dbraw/zinc/40/18/95/1197401895.db2.gz QLBJVUZBUMRTBQ-AWEZNQCLSA-N 2 2 303.450 3.071 20 30 DGEDLP C=CCC[C@H](C)[NH2+][C@@H](C)CCNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001674217478 1197748206 /nfs/dbraw/zinc/74/82/06/1197748206.db2.gz ZRGQDYFIPQDVGG-GJZGRUSLSA-N 2 2 317.477 3.460 20 30 DGEDLP Cc1ccc(NC(=[NH2+])NC[C@H](c2ccc(C)cc2)[NH+](C)C)cc1 ZINC000303898412 1199601413 /nfs/dbraw/zinc/60/14/13/1199601413.db2.gz VNBSLCXBOOESLD-GOSISDBHSA-N 2 2 310.445 3.333 20 30 DGEDLP C=CC[N@H+]1CCC[C@@H]1CCCNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001714522378 1202976980 /nfs/dbraw/zinc/97/69/80/1202976980.db2.gz QJGXAJUKHMDDEE-KRWDZBQOSA-N 2 2 315.461 3.167 20 30 DGEDLP C=CC[N@@H+]1CCC[C@@H]1CCCNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001714522378 1202976984 /nfs/dbraw/zinc/97/69/84/1202976984.db2.gz QJGXAJUKHMDDEE-KRWDZBQOSA-N 2 2 315.461 3.167 20 30 DGEDLP C=C(C)C[NH2+]C[C@@H]1CCC[C@H]1NC(=O)c1c(C)cc(C)[nH+]c1C ZINC001716065344 1203437960 /nfs/dbraw/zinc/43/79/60/1203437960.db2.gz MHGSKDKHRDIRAI-DLBZAZTESA-N 2 2 315.461 3.071 20 30 DGEDLP CCCCCCC[NH2+][C@H](C)C[C@H](C)NC(=O)CCc1c[nH]c[nH+]1 ZINC001134548077 1083302674 /nfs/dbraw/zinc/30/26/74/1083302674.db2.gz CWGHKVBKZKONQM-CVEARBPZSA-N 2 2 322.497 3.186 20 30 DGEDLP CCCCCCC[NH2+][C@H](C)C[C@H](C)NC(=O)CCc1c[nH+]c[nH]1 ZINC001134548077 1083302678 /nfs/dbraw/zinc/30/26/78/1083302678.db2.gz CWGHKVBKZKONQM-CVEARBPZSA-N 2 2 322.497 3.186 20 30 DGEDLP CCCCCCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CCc1c[nH]c[nH+]1 ZINC001134548080 1083302772 /nfs/dbraw/zinc/30/27/72/1083302772.db2.gz CWGHKVBKZKONQM-JKSUJKDBSA-N 2 2 322.497 3.186 20 30 DGEDLP CCCCCCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CCc1c[nH+]c[nH]1 ZINC001134548080 1083302774 /nfs/dbraw/zinc/30/27/74/1083302774.db2.gz CWGHKVBKZKONQM-JKSUJKDBSA-N 2 2 322.497 3.186 20 30 DGEDLP C=CCCC[NH2+]CCCN(C)C(=O)c1c(C)cc(C)[nH+]c1C ZINC001268807935 1085059201 /nfs/dbraw/zinc/05/92/01/1085059201.db2.gz YTSOLBVXVUZHLD-UHFFFAOYSA-N 2 2 303.450 3.025 20 30 DGEDLP C=CCCCCC[NH2+]CCCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001160992922 1089063842 /nfs/dbraw/zinc/06/38/42/1089063842.db2.gz USDUJWWDXRZBCK-UHFFFAOYSA-N 2 2 314.433 3.019 20 30 DGEDLP CCC(CC)[NH+]1CCC(Nc2[nH+]ccc3[nH]cc(C#N)c32)CC1 ZINC001161100832 1089115171 /nfs/dbraw/zinc/11/51/71/1089115171.db2.gz UVNLXHUHHSUYNS-UHFFFAOYSA-N 2 2 311.433 3.499 20 30 DGEDLP C=C(C)C[NH2+]CC1(CCNC(=O)c2c(C)cc(C)[nH+]c2C)CC1 ZINC001166293859 1090594940 /nfs/dbraw/zinc/59/49/40/1090594940.db2.gz FFARNISMAPEPPY-UHFFFAOYSA-N 2 2 315.461 3.073 20 30 DGEDLP C=C(C)CC[NH2+]CC[C@H](C)NC(=O)c1c(C)cc(C)[nH+]c1C ZINC001272920300 1090684370 /nfs/dbraw/zinc/68/43/70/1090684370.db2.gz JPRXOSQQCZSGFT-AWEZNQCLSA-N 2 2 303.450 3.071 20 30 DGEDLP C=C(C)COc1ccccc1C[N@H+]1C[C@H]2C[C@@]2(C[NH+](C)C)C1 ZINC001138666095 1091281431 /nfs/dbraw/zinc/28/14/31/1091281431.db2.gz IMEXLVFREIOBQN-IEBWSBKVSA-N 2 2 300.446 3.025 20 30 DGEDLP C=C(C)COc1ccccc1C[N@@H+]1C[C@H]2C[C@@]2(C[NH+](C)C)C1 ZINC001138666095 1091281439 /nfs/dbraw/zinc/28/14/39/1091281439.db2.gz IMEXLVFREIOBQN-IEBWSBKVSA-N 2 2 300.446 3.025 20 30 DGEDLP C=C(C)COc1ccccc1C[N@@H+]1CCC(F)(F)[C@H](C[NH3+])C1 ZINC001205771728 1091341176 /nfs/dbraw/zinc/34/11/76/1091341176.db2.gz VMMLTLZRQORUPN-OAHLLOKOSA-N 2 2 310.388 3.057 20 30 DGEDLP C=C(C)COc1ccccc1C[N@H+]1CCC(F)(F)[C@H](C[NH3+])C1 ZINC001205771728 1091341186 /nfs/dbraw/zinc/34/11/86/1091341186.db2.gz VMMLTLZRQORUPN-OAHLLOKOSA-N 2 2 310.388 3.057 20 30 DGEDLP N#Cc1ccc2c(c1)C[N@@H+](Cc1ccc(-n3cc[nH+]c3)cc1)CC2 ZINC001139355846 1091531439 /nfs/dbraw/zinc/53/14/39/1091531439.db2.gz CEHVFRPSDONWRJ-UHFFFAOYSA-N 2 2 314.392 3.302 20 30 DGEDLP N#Cc1ccc2c(c1)C[N@H+](Cc1ccc(-n3cc[nH+]c3)cc1)CC2 ZINC001139355846 1091531446 /nfs/dbraw/zinc/53/14/46/1091531446.db2.gz CEHVFRPSDONWRJ-UHFFFAOYSA-N 2 2 314.392 3.302 20 30 DGEDLP C[N@H+](C1CC1)C1CC[NH+](Cc2c[nH]c3c2cccc3C#N)CC1 ZINC001139707252 1091647778 /nfs/dbraw/zinc/64/77/78/1091647778.db2.gz UQGURVKCVZRINM-UHFFFAOYSA-N 2 2 308.429 3.098 20 30 DGEDLP C[N@@H+](C1CC1)C1CC[NH+](Cc2c[nH]c3c2cccc3C#N)CC1 ZINC001139707252 1091647784 /nfs/dbraw/zinc/64/77/84/1091647784.db2.gz UQGURVKCVZRINM-UHFFFAOYSA-N 2 2 308.429 3.098 20 30 DGEDLP CCCC[NH+]1CCC([N@H+](C)Cc2cc(F)cc(C#N)c2)CC1 ZINC001139879297 1091700525 /nfs/dbraw/zinc/70/05/25/1091700525.db2.gz JIDCEMARARXVPV-UHFFFAOYSA-N 2 2 303.425 3.394 20 30 DGEDLP CCCC[NH+]1CCC([N@@H+](C)Cc2cc(F)cc(C#N)c2)CC1 ZINC001139879297 1091700533 /nfs/dbraw/zinc/70/05/33/1091700533.db2.gz JIDCEMARARXVPV-UHFFFAOYSA-N 2 2 303.425 3.394 20 30 DGEDLP C=CCCCC[NH+]1CCC2(CC1)CN(c1cccc[nH+]1)CCO2 ZINC001209204097 1092695613 /nfs/dbraw/zinc/69/56/13/1092695613.db2.gz ZFVQZTZTTPLHSH-UHFFFAOYSA-N 2 2 315.461 3.109 20 30 DGEDLP Cc1c[nH+]cc(Nc2ccc(N3CC[NH+](C)CC3)c(C#N)c2)c1C ZINC001213530827 1093605075 /nfs/dbraw/zinc/60/50/75/1093605075.db2.gz NKXHIVRTMMTBPP-UHFFFAOYSA-N 2 2 321.428 3.066 20 30 DGEDLP C=CCCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1c(C)cc(C)[nH+]c1C ZINC001135044241 1094377533 /nfs/dbraw/zinc/37/75/33/1094377533.db2.gz RAGWPMRMYAVPDE-GOEBONIOSA-N 2 2 317.477 3.460 20 30 DGEDLP N#Cc1ccc(C[N@@H+]2CCCC[C@@]3(CCCC[NH2+]C3)C2)c(F)c1 ZINC001222167247 1095474276 /nfs/dbraw/zinc/47/42/76/1095474276.db2.gz IWOCXOBKUIWIQV-LJQANCHMSA-N 2 2 315.436 3.443 20 30 DGEDLP N#Cc1ccc(C[N@H+]2CCCC[C@@]3(CCCC[NH2+]C3)C2)c(F)c1 ZINC001222167247 1095474284 /nfs/dbraw/zinc/47/42/84/1095474284.db2.gz IWOCXOBKUIWIQV-LJQANCHMSA-N 2 2 315.436 3.443 20 30 DGEDLP C[C@@H](Cc1ccc(C#N)cc1)[NH+]1CCC(Oc2cc[nH+]cc2)CC1 ZINC001172308900 1097096716 /nfs/dbraw/zinc/09/67/16/1097096716.db2.gz AQMUMVHXOKXTEF-INIZCTEOSA-N 2 2 321.424 3.428 20 30 DGEDLP C=CCCCC[NH2+]C12CC(C(=O)Nc3cccc4[nH+]ccn43)(C1)C2 ZINC001277788401 1098364504 /nfs/dbraw/zinc/36/45/04/1098364504.db2.gz JQMDIRQWCKCDQJ-UHFFFAOYSA-N 2 2 324.428 3.141 20 30 DGEDLP COc1cc(C[NH+]2CCC(C)(C#N)CC2)ccc1-n1cc[nH+]c1 ZINC001234076486 1098490895 /nfs/dbraw/zinc/49/08/95/1098490895.db2.gz XXCKCZNNDUQHIQ-UHFFFAOYSA-N 2 2 310.401 3.007 20 30 DGEDLP C#CCOc1cccc(Cl)c1C[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC001179160493 1099031538 /nfs/dbraw/zinc/03/15/38/1099031538.db2.gz XJWUWRUPRHGODO-HNNXBMFYSA-N 2 2 320.864 3.174 20 30 DGEDLP C#CCOc1cccc(Cl)c1C[NH2+]C[C@@H]1CCCC[N@H+](C)C1 ZINC001179160493 1099031550 /nfs/dbraw/zinc/03/15/50/1099031550.db2.gz XJWUWRUPRHGODO-HNNXBMFYSA-N 2 2 320.864 3.174 20 30 DGEDLP N#CCc1ccccc1C[NH+]1CCC(Oc2cc[nH+]cc2)CC1 ZINC001235513860 1099070354 /nfs/dbraw/zinc/07/03/54/1099070354.db2.gz GYXWIFOXOIBSBE-UHFFFAOYSA-N 2 2 307.397 3.191 20 30 DGEDLP [NH3+][C@@]12CC[C@@H]1C[N@H+](Cc1ccc(C#Cc3ccccc3)cc1)C2 ZINC001235982256 1099309383 /nfs/dbraw/zinc/30/93/83/1099309383.db2.gz UQJWHFDYRCRSOG-NHCUHLMSSA-N 2 2 302.421 3.010 20 30 DGEDLP [NH3+][C@@]12CC[C@@H]1C[N@@H+](Cc1ccc(C#Cc3ccccc3)cc1)C2 ZINC001235982256 1099309392 /nfs/dbraw/zinc/30/93/92/1099309392.db2.gz UQJWHFDYRCRSOG-NHCUHLMSSA-N 2 2 302.421 3.010 20 30 DGEDLP COc1ccc(C[N@H+](CC(C)(C)C)C2CC[NH2+]CC2)c(C#N)c1 ZINC001236456482 1099619436 /nfs/dbraw/zinc/61/94/36/1099619436.db2.gz FDYXPWSPEORCAK-UHFFFAOYSA-N 2 2 315.461 3.167 20 30 DGEDLP COc1ccc(C[N@@H+](CC(C)(C)C)C2CC[NH2+]CC2)c(C#N)c1 ZINC001236456482 1099619449 /nfs/dbraw/zinc/61/94/49/1099619449.db2.gz FDYXPWSPEORCAK-UHFFFAOYSA-N 2 2 315.461 3.167 20 30 DGEDLP C[C@@H]1C[C@H]([NH3+])C[N@@H+]1Cc1ccc(N(C)c2ccc(C#N)cc2)cc1 ZINC001237204194 1100032140 /nfs/dbraw/zinc/03/21/40/1100032140.db2.gz QKFFVCYRNJTQIW-QAPCUYQASA-N 2 2 320.440 3.248 20 30 DGEDLP C[C@@H]1C[C@H]([NH3+])C[N@H+]1Cc1ccc(N(C)c2ccc(C#N)cc2)cc1 ZINC001237204194 1100032144 /nfs/dbraw/zinc/03/21/44/1100032144.db2.gz QKFFVCYRNJTQIW-QAPCUYQASA-N 2 2 320.440 3.248 20 30 DGEDLP CCc1cc(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3C)C2)ccc1C#N ZINC001238773434 1100525991 /nfs/dbraw/zinc/52/59/91/1100525991.db2.gz YYZXQEVLWGPLOR-LJQANCHMSA-N 2 2 321.424 3.477 20 30 DGEDLP CCc1cc(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3C)C2)ccc1C#N ZINC001238773434 1100525999 /nfs/dbraw/zinc/52/59/99/1100525999.db2.gz YYZXQEVLWGPLOR-LJQANCHMSA-N 2 2 321.424 3.477 20 30 DGEDLP N#Cc1cc(-c2ccccc2C[N@H+]2CC[C@@H]([NH3+])C2)ccc1Cl ZINC001240403177 1100979971 /nfs/dbraw/zinc/97/99/71/1100979971.db2.gz FZVBPQQOXQHSDX-MRXNPFEDSA-N 2 2 311.816 3.412 20 30 DGEDLP N#Cc1cc(-c2ccccc2C[N@@H+]2CC[C@@H]([NH3+])C2)ccc1Cl ZINC001240403177 1100979979 /nfs/dbraw/zinc/97/99/79/1100979979.db2.gz FZVBPQQOXQHSDX-MRXNPFEDSA-N 2 2 311.816 3.412 20 30 DGEDLP N#Cc1cc(Cl)cc(-c2cccc(C[N@H+]3CC[C@H]([NH3+])C3)c2)c1 ZINC001242570389 1102217832 /nfs/dbraw/zinc/21/78/32/1102217832.db2.gz KEKBXQZHZVIIJJ-SFHVURJKSA-N 2 2 311.816 3.412 20 30 DGEDLP N#Cc1cc(Cl)cc(-c2cccc(C[N@@H+]3CC[C@H]([NH3+])C3)c2)c1 ZINC001242570389 1102217841 /nfs/dbraw/zinc/21/78/41/1102217841.db2.gz KEKBXQZHZVIIJJ-SFHVURJKSA-N 2 2 311.816 3.412 20 30 DGEDLP C=CCCCCCC[C@H](O)C[N@@H+]1CCC[C@]2(CCCC[NH2+]2)C1 ZINC001246020524 1104353336 /nfs/dbraw/zinc/35/33/36/1104353336.db2.gz CKLPLTXALLXMMU-RBUKOAKNSA-N 2 2 308.510 3.482 20 30 DGEDLP C=CCCCCCC[C@H](O)C[N@H+]1CCC[C@]2(CCCC[NH2+]2)C1 ZINC001246020524 1104353346 /nfs/dbraw/zinc/35/33/46/1104353346.db2.gz CKLPLTXALLXMMU-RBUKOAKNSA-N 2 2 308.510 3.482 20 30 DGEDLP C=CCCCC[N@@H+]1CCC[C@]2(CCC[NH+](Cc3cn[nH]c3)C2)C1 ZINC001274975003 1104564534 /nfs/dbraw/zinc/56/45/34/1104564534.db2.gz TXXQBPPFPMTEDQ-IBGZPJMESA-N 2 2 316.493 3.444 20 30 DGEDLP C=CCCCC[N@H+]1CCC[C@]2(CCC[NH+](Cc3cn[nH]c3)C2)C1 ZINC001274975003 1104564539 /nfs/dbraw/zinc/56/45/39/1104564539.db2.gz TXXQBPPFPMTEDQ-IBGZPJMESA-N 2 2 316.493 3.444 20 30 DGEDLP C=CCCCC[NH+]1CCC[C@]2(CCC[N@H+](Cc3cn[nH]c3)C2)C1 ZINC001274975003 1104564545 /nfs/dbraw/zinc/56/45/45/1104564545.db2.gz TXXQBPPFPMTEDQ-IBGZPJMESA-N 2 2 316.493 3.444 20 30 DGEDLP C=CCCCC[NH+]1CCC[C@]2(CCC[N@@H+](Cc3cn[nH]c3)C2)C1 ZINC001274975003 1104564553 /nfs/dbraw/zinc/56/45/53/1104564553.db2.gz TXXQBPPFPMTEDQ-IBGZPJMESA-N 2 2 316.493 3.444 20 30 DGEDLP C=CCC[C@H](O)C[NH+]1CCC([N@H+](C)Cc2ccc(F)cc2)CC1 ZINC001252602563 1105800710 /nfs/dbraw/zinc/80/07/10/1105800710.db2.gz UIANMYWPBSATQC-IBGZPJMESA-N 2 2 320.452 3.049 20 30 DGEDLP C=CCC[C@H](O)C[NH+]1CCC([N@@H+](C)Cc2ccc(F)cc2)CC1 ZINC001252602563 1105800718 /nfs/dbraw/zinc/80/07/18/1105800718.db2.gz UIANMYWPBSATQC-IBGZPJMESA-N 2 2 320.452 3.049 20 30 DGEDLP Cc1cc(F)ccc1C[NH+]1CCC([NH2+][C@H]2CC[C@H](C#N)C2)CC1 ZINC001254650662 1106122631 /nfs/dbraw/zinc/12/26/31/1106122631.db2.gz XBFNURONDXAGBC-KXBFYZLASA-N 2 2 315.436 3.380 20 30 DGEDLP C[NH+](C)C[C@H]([NH2+][C@@H]1CC[C@@H](C#N)C1)C12CC3CC(CC(C3)C1)C2 ZINC001254656107 1106124723 /nfs/dbraw/zinc/12/47/23/1106124723.db2.gz HSXLLXYALUCADT-QCCNOGHNSA-N 2 2 315.505 3.415 20 30 DGEDLP C[N@H+](Cc1ccccc1F)C1CC[NH+]([C@@H]2CC[C@@H](C#N)C2)CC1 ZINC001254673749 1106131053 /nfs/dbraw/zinc/13/10/53/1106131053.db2.gz OGPCRHYQWITYTN-CRAIPNDOSA-N 2 2 315.436 3.414 20 30 DGEDLP C[N@@H+](Cc1ccccc1F)C1CC[NH+]([C@@H]2CC[C@@H](C#N)C2)CC1 ZINC001254673749 1106131056 /nfs/dbraw/zinc/13/10/56/1106131056.db2.gz OGPCRHYQWITYTN-CRAIPNDOSA-N 2 2 315.436 3.414 20 30 DGEDLP C[NH+]1CCC([N@H+](Cc2ccc(F)cc2)[C@H]2CC[C@H](C#N)C2)CC1 ZINC001254677182 1106131893 /nfs/dbraw/zinc/13/18/93/1106131893.db2.gz QRLCLAAMWZPHKZ-LPHOPBHVSA-N 2 2 315.436 3.414 20 30 DGEDLP C[NH+]1CCC([N@@H+](Cc2ccc(F)cc2)[C@H]2CC[C@H](C#N)C2)CC1 ZINC001254677182 1106131895 /nfs/dbraw/zinc/13/18/95/1106131895.db2.gz QRLCLAAMWZPHKZ-LPHOPBHVSA-N 2 2 315.436 3.414 20 30 DGEDLP C[NH+]1CCC([N@H+](Cc2ccc(F)cc2)[C@@H]2CC[C@@H](C#N)C2)CC1 ZINC001254677184 1106132025 /nfs/dbraw/zinc/13/20/25/1106132025.db2.gz QRLCLAAMWZPHKZ-VQIMIIECSA-N 2 2 315.436 3.414 20 30 DGEDLP C[NH+]1CCC([N@@H+](Cc2ccc(F)cc2)[C@@H]2CC[C@@H](C#N)C2)CC1 ZINC001254677184 1106132027 /nfs/dbraw/zinc/13/20/27/1106132027.db2.gz QRLCLAAMWZPHKZ-VQIMIIECSA-N 2 2 315.436 3.414 20 30 DGEDLP C=CCC[C@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1OC ZINC001258726444 1106931424 /nfs/dbraw/zinc/93/14/24/1106931424.db2.gz UMVIXSZGUVYPBL-WDSOQIARSA-N 2 2 302.462 3.220 20 30 DGEDLP C=CCC[C@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1OC ZINC001258726444 1106931433 /nfs/dbraw/zinc/93/14/33/1106931433.db2.gz UMVIXSZGUVYPBL-WDSOQIARSA-N 2 2 302.462 3.220 20 30 DGEDLP C=CCC[C@@H](C)[N@H+](C)CCNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001317455950 1107404514 /nfs/dbraw/zinc/40/45/14/1107404514.db2.gz VXXOQAAMMFCQMN-OAHLLOKOSA-N 2 2 303.450 3.023 20 30 DGEDLP C=CCC[C@@H](C)[N@@H+](C)CCNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001317455950 1107404518 /nfs/dbraw/zinc/40/45/18/1107404518.db2.gz VXXOQAAMMFCQMN-OAHLLOKOSA-N 2 2 303.450 3.023 20 30 DGEDLP C=C(C)C[NH2+]C1(CNC(=O)c2c(C)cc(C)[nH+]c2C)CCCC1 ZINC001319364215 1108431479 /nfs/dbraw/zinc/43/14/79/1108431479.db2.gz WBAZPLXOFMRJAN-UHFFFAOYSA-N 2 2 315.461 3.215 20 30 DGEDLP CC[C@@H]([NH2+]CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc(C#N)cc1 ZINC000278317393 214085890 /nfs/dbraw/zinc/08/58/90/214085890.db2.gz UQZGQNSJZFNBEQ-JTDSTZFVSA-N 2 2 315.461 3.098 20 30 DGEDLP CC[C@@H]([NH2+]CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc(C#N)cc1 ZINC000278317393 214085892 /nfs/dbraw/zinc/08/58/92/214085892.db2.gz UQZGQNSJZFNBEQ-JTDSTZFVSA-N 2 2 315.461 3.098 20 30 DGEDLP Cn1c2ccccc2[nH+]c1CCC[NH2+]Cc1ccc(C#N)cc1 ZINC000076900964 185052800 /nfs/dbraw/zinc/05/28/00/185052800.db2.gz LMNOXQKQVVYRHG-UHFFFAOYSA-N 2 2 304.397 3.167 20 30 DGEDLP Fc1ccc(C#CC[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)cc1 ZINC000131273149 432034620 /nfs/dbraw/zinc/03/46/20/432034620.db2.gz CSNKPNTTZFLDSI-LJQANCHMSA-N 2 2 300.421 3.128 20 30 DGEDLP Fc1ccc(C#CC[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)cc1 ZINC000131273149 432034623 /nfs/dbraw/zinc/03/46/23/432034623.db2.gz CSNKPNTTZFLDSI-LJQANCHMSA-N 2 2 300.421 3.128 20 30 DGEDLP N#C[C@H]1CC[C@@H]([NH2+]C2CC[NH+](Cc3ccc(F)cc3)CC2)C1 ZINC000442713389 239115463 /nfs/dbraw/zinc/11/54/63/239115463.db2.gz WNDJJCZFWRUSGL-MAUKXSAKSA-N 2 2 301.409 3.072 20 30 DGEDLP C=C(C)COCC[NH2+][C@H]1C[C@@H](C)C[N@@H+](Cc2ccccc2)C1 ZINC000468509619 244047462 /nfs/dbraw/zinc/04/74/62/244047462.db2.gz HEJWTEKXLVRIEM-MJGOQNOKSA-N 2 2 302.462 3.079 20 30 DGEDLP C=C(C)COCC[NH2+][C@H]1C[C@@H](C)C[N@H+](Cc2ccccc2)C1 ZINC000468509619 244047469 /nfs/dbraw/zinc/04/74/69/244047469.db2.gz HEJWTEKXLVRIEM-MJGOQNOKSA-N 2 2 302.462 3.079 20 30 DGEDLP C=CC[NH+]1CCC([NH2+][C@@H](CC)c2ccc(OC)c(OC)c2)CC1 ZINC000268892366 207063614 /nfs/dbraw/zinc/06/36/14/207063614.db2.gz PHDSDIFPKSNFIK-KRWDZBQOSA-N 2 2 318.461 3.395 20 30 DGEDLP C[C@@H]([NH2+]CCCNc1cccc[nH+]1)c1ccc(OCC#N)cc1 ZINC000181866969 533385311 /nfs/dbraw/zinc/38/53/11/533385311.db2.gz VIHHFPXETBRRLK-OAHLLOKOSA-N 2 2 310.401 3.137 20 30 DGEDLP C=CCCSCC[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000595060588 400095021 /nfs/dbraw/zinc/09/50/21/400095021.db2.gz WAQSFXIJAVHSAN-AEFFLSMTSA-N 2 2 319.518 3.191 20 30 DGEDLP C=CCCSCC[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000595060588 400095025 /nfs/dbraw/zinc/09/50/25/400095025.db2.gz WAQSFXIJAVHSAN-AEFFLSMTSA-N 2 2 319.518 3.191 20 30 DGEDLP N#CC1(CC[N@@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)CCCCC1 ZINC000595471900 400161475 /nfs/dbraw/zinc/16/14/75/400161475.db2.gz GKRNXOGRLRWDCT-SFHVURJKSA-N 2 2 319.493 3.037 20 30 DGEDLP N#CC1(CC[N@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)CCCCC1 ZINC000595471900 400161478 /nfs/dbraw/zinc/16/14/78/400161478.db2.gz GKRNXOGRLRWDCT-SFHVURJKSA-N 2 2 319.493 3.037 20 30 DGEDLP C[N@@H+]1CC[C@@H]([NH2+]CCc2ccc(C#N)cc2)[C@H]1c1ccccc1 ZINC000595474835 400162500 /nfs/dbraw/zinc/16/25/00/400162500.db2.gz FRQAIMSLUZGQTF-WOJBJXKFSA-N 2 2 305.425 3.136 20 30 DGEDLP C[N@H+]1CC[C@@H]([NH2+]CCc2ccc(C#N)cc2)[C@H]1c1ccccc1 ZINC000595474835 400162502 /nfs/dbraw/zinc/16/25/02/400162502.db2.gz FRQAIMSLUZGQTF-WOJBJXKFSA-N 2 2 305.425 3.136 20 30 DGEDLP Cc1cccn2cc(CC[NH2+][C@@H](C)c3ccc(C#N)cc3)[nH+]c12 ZINC000611438742 400400539 /nfs/dbraw/zinc/40/05/39/400400539.db2.gz GHYZHXNSEVXWEL-HNNXBMFYSA-N 2 2 304.397 3.408 20 30 DGEDLP C[C@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccccc1)c1ccc(C#N)c(F)c1 ZINC000596648045 400471238 /nfs/dbraw/zinc/47/12/38/400471238.db2.gz GRZBQWHTPZXCAE-BOUXLOLZSA-N 2 2 323.415 3.494 20 30 DGEDLP N#Cc1ccc2c(c1)[C@@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccccc1)CC2 ZINC000596648745 400472020 /nfs/dbraw/zinc/47/20/20/400472020.db2.gz FLAJZVWGWLCBOW-HLAWJBBLSA-N 2 2 317.436 3.281 20 30 DGEDLP Cc1cccc2[nH+]c(CC[NH2+][C@@H]3CCc4ccc(C#N)cc43)cn21 ZINC000592404811 400646810 /nfs/dbraw/zinc/64/68/10/400646810.db2.gz XHFIXUYADDYHDP-LJQANCHMSA-N 2 2 316.408 3.334 20 30 DGEDLP Cc1cnccc1C[NH2+]C1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593691842 400892182 /nfs/dbraw/zinc/89/21/82/400892182.db2.gz OWOQHXFHTPIECF-UHFFFAOYSA-N 2 2 320.440 3.016 20 30 DGEDLP C[C@H]([NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12)c1ccc(C#N)c(F)c1 ZINC000594520903 401098914 /nfs/dbraw/zinc/09/89/14/401098914.db2.gz RFXZUJBMXNETDQ-VHSSKADRSA-N 2 2 301.409 3.365 20 30 DGEDLP C[C@H]([NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12)c1ccc(C#N)c(F)c1 ZINC000594520903 401098919 /nfs/dbraw/zinc/09/89/19/401098919.db2.gz RFXZUJBMXNETDQ-VHSSKADRSA-N 2 2 301.409 3.365 20 30 DGEDLP N#Cc1ccc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1F ZINC000192121966 165283627 /nfs/dbraw/zinc/28/36/27/165283627.db2.gz YCMLQHGKHAXYCD-VQIMIIECSA-N 2 2 313.420 3.146 20 30 DGEDLP N#Cc1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1F ZINC000192121966 165283636 /nfs/dbraw/zinc/28/36/36/165283636.db2.gz YCMLQHGKHAXYCD-VQIMIIECSA-N 2 2 313.420 3.146 20 30 DGEDLP N#Cc1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1F ZINC000192121966 165283638 /nfs/dbraw/zinc/28/36/38/165283638.db2.gz YCMLQHGKHAXYCD-VQIMIIECSA-N 2 2 313.420 3.146 20 30 DGEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2nccn2-c2ccccc2)CC1 ZINC000190977821 432207751 /nfs/dbraw/zinc/20/77/51/432207751.db2.gz MNUIOMUMVGXOIG-UHFFFAOYSA-N 2 2 310.445 3.002 20 30 DGEDLP N#C[C@@H]1CCC[C@@H]([NH2+]CC2([NH+]3CCSCC3)CCCC2)C1 ZINC000192663679 228552298 /nfs/dbraw/zinc/55/22/98/228552298.db2.gz FFNDHACLUCWDEE-HZPDHXFCSA-N 2 2 307.507 3.020 20 30 DGEDLP Cn1c(CCC[NH2+]Cc2ccc(C#N)cc2F)[nH+]c2ccccc21 ZINC000347771901 264281015 /nfs/dbraw/zinc/28/10/15/264281015.db2.gz CATXGEXYTLYPGC-UHFFFAOYSA-N 2 2 322.387 3.306 20 30 DGEDLP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]Cc1nc(C#N)cs1 ZINC000352798699 266118396 /nfs/dbraw/zinc/11/83/96/266118396.db2.gz NXIAXSVBJVWVPP-DZGCQCFKSA-N 2 2 306.479 3.005 20 30 DGEDLP C=C(C)C[NH+]1CCC([NH2+][C@@H](COC)c2ccc(F)c(F)c2)CC1 ZINC000182870191 432236632 /nfs/dbraw/zinc/23/66/32/432236632.db2.gz GLGJPWDMMZLZDU-SFHVURJKSA-N 2 2 324.415 3.282 20 30 DGEDLP C=C(C)C[NH+]1CCC([NH2+][C@H](C)c2cnn(C(C)C)c2C)CC1 ZINC000191273335 432243668 /nfs/dbraw/zinc/24/36/68/432243668.db2.gz CITGQWSCOLPWHK-OAHLLOKOSA-N 2 2 304.482 3.464 20 30 DGEDLP C[N@@H+]1CCC[C@@H]2C[NH+](CC#Cc3ccc(Cl)cc3)CC[C@@H]21 ZINC000158533775 277068248 /nfs/dbraw/zinc/06/82/48/277068248.db2.gz DOZCOVNERIDOFM-AEFFLSMTSA-N 2 2 302.849 3.108 20 30 DGEDLP C[N@H+]1CCC[C@@H]2C[NH+](CC#Cc3ccc(Cl)cc3)CC[C@@H]21 ZINC000158533775 277068250 /nfs/dbraw/zinc/06/82/50/277068250.db2.gz DOZCOVNERIDOFM-AEFFLSMTSA-N 2 2 302.849 3.108 20 30 DGEDLP C[NH+]1CCC[C@@H]2C[N@H+](CC#Cc3ccc(Cl)cc3)CC[C@@H]21 ZINC000158533775 277068251 /nfs/dbraw/zinc/06/82/51/277068251.db2.gz DOZCOVNERIDOFM-AEFFLSMTSA-N 2 2 302.849 3.108 20 30 DGEDLP C[NH+]1CCC[C@@H]2C[N@@H+](CC#Cc3ccc(Cl)cc3)CC[C@@H]21 ZINC000158533775 277068253 /nfs/dbraw/zinc/06/82/53/277068253.db2.gz DOZCOVNERIDOFM-AEFFLSMTSA-N 2 2 302.849 3.108 20 30 DGEDLP C#CCOc1ccc(C[NH2+]Cc2ccccc2-n2cc[nH+]c2)cc1 ZINC000113327470 431342453 /nfs/dbraw/zinc/34/24/53/431342453.db2.gz PMYWHKHLAGBDJR-UHFFFAOYSA-N 2 2 317.392 3.174 20 30 DGEDLP CC[N@H+](CCCCC#N)CC1CCN(c2cccc[nH+]2)CC1 ZINC000076108852 431528916 /nfs/dbraw/zinc/52/89/16/431528916.db2.gz OTOTZJVKYADLCT-UHFFFAOYSA-N 2 2 300.450 3.314 20 30 DGEDLP CC[N@@H+](CCCCC#N)CC1CCN(c2cccc[nH+]2)CC1 ZINC000076108852 431528921 /nfs/dbraw/zinc/52/89/21/431528921.db2.gz OTOTZJVKYADLCT-UHFFFAOYSA-N 2 2 300.450 3.314 20 30 DGEDLP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]CC#Cc1ccc(C(F)(F)F)cc1 ZINC000090180657 431890172 /nfs/dbraw/zinc/89/01/72/431890172.db2.gz LPJLVHQGLYYDMX-CPUCHLNUSA-N 2 2 324.390 3.375 20 30 DGEDLP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CC#Cc1ccc(C(F)(F)F)cc1 ZINC000090180657 431890174 /nfs/dbraw/zinc/89/01/74/431890174.db2.gz LPJLVHQGLYYDMX-CPUCHLNUSA-N 2 2 324.390 3.375 20 30 DGEDLP FC(F)(F)c1ccc(C#CC[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000090180576 431890286 /nfs/dbraw/zinc/89/02/86/431890286.db2.gz OXRMIFMVULSDLM-IAGOWNOFSA-N 2 2 322.374 3.273 20 30 DGEDLP FC(F)(F)c1ccc(C#CC[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000090180576 431890287 /nfs/dbraw/zinc/89/02/87/431890287.db2.gz OXRMIFMVULSDLM-IAGOWNOFSA-N 2 2 322.374 3.273 20 30 DGEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2ccn(-c3ccccc3)n2)CC1 ZINC000091060114 431901270 /nfs/dbraw/zinc/90/12/70/431901270.db2.gz HFYWLBCLSPKXRM-UHFFFAOYSA-N 2 2 310.445 3.002 20 30 DGEDLP N#CC1(c2ccccc2)CC([NH2+]CCCCNc2cccc[nH+]2)C1 ZINC000126668129 431955483 /nfs/dbraw/zinc/95/54/83/431955483.db2.gz FVDHMDGCVZBVDV-UHFFFAOYSA-N 2 2 320.440 3.487 20 30 DGEDLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+][C@H]2CCC[C@@H](C#N)C2)CC1 ZINC000248914311 432329481 /nfs/dbraw/zinc/32/94/81/432329481.db2.gz VVSCGOFPAFFVTG-MDZRGWNJSA-N 2 2 312.461 3.279 20 30 DGEDLP C#CC[C@H]([NH2+]C1CC[NH+](Cc2ccccn2)CC1)c1ccccc1 ZINC000271478271 432403737 /nfs/dbraw/zinc/40/37/37/432403737.db2.gz JHEIVESOYFADLB-NRFANRHFSA-N 2 2 319.452 3.400 20 30 DGEDLP CC(C)(C[NH2+][C@H]1CCC[C@H](C#N)C1)[N@@H+]1CCc2ccccc2C1 ZINC000185800906 432533322 /nfs/dbraw/zinc/53/33/22/432533322.db2.gz DBYAEKUMYUNDEZ-LPHOPBHVSA-N 2 2 311.473 3.495 20 30 DGEDLP CC(C)(C[NH2+][C@H]1CCC[C@H](C#N)C1)[N@H+]1CCc2ccccc2C1 ZINC000185800906 432533324 /nfs/dbraw/zinc/53/33/24/432533324.db2.gz DBYAEKUMYUNDEZ-LPHOPBHVSA-N 2 2 311.473 3.495 20 30 DGEDLP C[C@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000187718708 432680015 /nfs/dbraw/zinc/68/00/15/432680015.db2.gz HQFIRUMFZAIZDP-NVXWUHKLSA-N 2 2 308.429 3.307 20 30 DGEDLP C[C@H](c1cccc(C#N)c1)[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000187718708 432680019 /nfs/dbraw/zinc/68/00/19/432680019.db2.gz HQFIRUMFZAIZDP-NVXWUHKLSA-N 2 2 308.429 3.307 20 30 DGEDLP C[NH+]1CCC([N@H+](Cc2ccc(C#N)o2)Cc2ccccc2)CC1 ZINC000290400323 433045932 /nfs/dbraw/zinc/04/59/32/433045932.db2.gz JJCWHPZQEULPCV-UHFFFAOYSA-N 2 2 309.413 3.248 20 30 DGEDLP C[NH+]1CCC([N@@H+](Cc2ccc(C#N)o2)Cc2ccccc2)CC1 ZINC000290400323 433045936 /nfs/dbraw/zinc/04/59/36/433045936.db2.gz JJCWHPZQEULPCV-UHFFFAOYSA-N 2 2 309.413 3.248 20 30 DGEDLP N#Cc1cccc(CC[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000341480346 433082109 /nfs/dbraw/zinc/08/21/09/433082109.db2.gz HYVSRGYIELHQQD-UHFFFAOYSA-N 2 2 302.381 3.076 20 30 DGEDLP C=C(C)C[NH+]1CCC([NH2+][C@@H](c2cncc(F)c2)C2CC2)CC1 ZINC000281340063 433288677 /nfs/dbraw/zinc/28/86/77/433288677.db2.gz UNABMZCKOAMQKQ-GOSISDBHSA-N 2 2 303.425 3.302 20 30 DGEDLP CC[N@@H+]1CC[C@@H]([NH+](C)CC#Cc2ccc(Cl)cc2)C[C@@H]1C ZINC000426452682 433500502 /nfs/dbraw/zinc/50/05/02/433500502.db2.gz YFESCRNDSFDISP-MAUKXSAKSA-N 2 2 304.865 3.496 20 30 DGEDLP CC[N@H+]1CC[C@@H]([NH+](C)CC#Cc2ccc(Cl)cc2)C[C@@H]1C ZINC000426452682 433500510 /nfs/dbraw/zinc/50/05/10/433500510.db2.gz YFESCRNDSFDISP-MAUKXSAKSA-N 2 2 304.865 3.496 20 30 DGEDLP CC[NH+]1CC[C@@H]([N@H+](C)CC#Cc2ccc(Cl)cc2)C[C@@H]1C ZINC000426452682 433500518 /nfs/dbraw/zinc/50/05/18/433500518.db2.gz YFESCRNDSFDISP-MAUKXSAKSA-N 2 2 304.865 3.496 20 30 DGEDLP CC[NH+]1CC[C@@H]([N@@H+](C)CC#Cc2ccc(Cl)cc2)C[C@@H]1C ZINC000426452682 433500528 /nfs/dbraw/zinc/50/05/28/433500528.db2.gz YFESCRNDSFDISP-MAUKXSAKSA-N 2 2 304.865 3.496 20 30 DGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@@H]3CCC[C@H]3F)CC2)cc1 ZINC000339583268 433667183 /nfs/dbraw/zinc/66/71/83/433667183.db2.gz HVWZLKUQJRPAPX-QZTJIDSGSA-N 2 2 301.409 3.003 20 30 DGEDLP Cc1[nH+]c2ccccc2n1CC[NH2+][C@H]1CCc2ccc(C#N)cc21 ZINC000353255710 434071510 /nfs/dbraw/zinc/07/15/10/434071510.db2.gz NYGUTDZDLHALQR-SFHVURJKSA-N 2 2 316.408 3.494 20 30 DGEDLP N#Cc1ccc2c(c1)[C@@H]([NH2+]CCCCNc1cccc[nH+]1)CC2 ZINC000353406849 434112570 /nfs/dbraw/zinc/11/25/70/434112570.db2.gz AUCFYGSXZHEEQV-SFHVURJKSA-N 2 2 306.413 3.422 20 30 DGEDLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H](C)c1ccc(C#N)c(F)c1)CCC2 ZINC000346126840 434133672 /nfs/dbraw/zinc/13/36/72/434133672.db2.gz BSTUJRVYIRXVBD-BBRMVZONSA-N 2 2 312.392 3.431 20 30 DGEDLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H](C)c1ccc(C#N)c(F)c1)CCC2 ZINC000346126845 434134700 /nfs/dbraw/zinc/13/47/00/434134700.db2.gz BSTUJRVYIRXVBD-CJNGLKHVSA-N 2 2 312.392 3.431 20 30 DGEDLP C[C@@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1ccc(OCC#N)cc1 ZINC000378461750 434193233 /nfs/dbraw/zinc/19/32/33/434193233.db2.gz ZZYKFCZBNCAXEW-OAHLLOKOSA-N 2 2 324.428 3.015 20 30 DGEDLP C=CCC[C@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)c1ccco1 ZINC000287355637 434345689 /nfs/dbraw/zinc/34/56/89/434345689.db2.gz HATRNMJLCAXPRN-SJORKVTESA-N 2 2 306.450 3.377 20 30 DGEDLP C=CCC[C@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)c1ccco1 ZINC000287355637 434345698 /nfs/dbraw/zinc/34/56/98/434345698.db2.gz HATRNMJLCAXPRN-SJORKVTESA-N 2 2 306.450 3.377 20 30 DGEDLP N#CC1(C[N@@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)CCC1 ZINC000451050329 434546971 /nfs/dbraw/zinc/54/69/71/434546971.db2.gz QLMZLOJNUTYPQB-RBUKOAKNSA-N 2 2 309.457 3.134 20 30 DGEDLP N#CC1(C[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)CCC1 ZINC000451050329 434546977 /nfs/dbraw/zinc/54/69/77/434546977.db2.gz QLMZLOJNUTYPQB-RBUKOAKNSA-N 2 2 309.457 3.134 20 30 DGEDLP N#CC1(C[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)CCC1 ZINC000451050329 434546982 /nfs/dbraw/zinc/54/69/82/434546982.db2.gz QLMZLOJNUTYPQB-RBUKOAKNSA-N 2 2 309.457 3.134 20 30 DGEDLP N#CC1(C[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)CCC1 ZINC000451050329 434546987 /nfs/dbraw/zinc/54/69/87/434546987.db2.gz QLMZLOJNUTYPQB-RBUKOAKNSA-N 2 2 309.457 3.134 20 30 DGEDLP CC(C)(CCC#N)C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000367905060 434560964 /nfs/dbraw/zinc/56/09/64/434560964.db2.gz UONSIZGMSRZZBF-UHFFFAOYSA-N 2 2 324.472 3.442 20 30 DGEDLP C[C@H]1C[N@@H+](C2CC[NH+](CCC3(C#N)CCCCC3)CC2)CCO1 ZINC000411193124 434741447 /nfs/dbraw/zinc/74/14/47/434741447.db2.gz SBJRGKJPHNYSPZ-KRWDZBQOSA-N 2 2 319.493 3.036 20 30 DGEDLP C[C@H]1C[N@H+](C2CC[NH+](CCC3(C#N)CCCCC3)CC2)CCO1 ZINC000411193124 434741454 /nfs/dbraw/zinc/74/14/54/434741454.db2.gz SBJRGKJPHNYSPZ-KRWDZBQOSA-N 2 2 319.493 3.036 20 30 DGEDLP Cc1cc(C[NH2+]C[C@@H](C)[N@H+](C)Cc2ccccc2)ccc1C#N ZINC000443964979 434782532 /nfs/dbraw/zinc/78/25/32/434782532.db2.gz VZTAZTANPYHDHT-QGZVFWFLSA-N 2 2 307.441 3.477 20 30 DGEDLP Cc1cc(C[NH2+]C[C@@H](C)[N@@H+](C)Cc2ccccc2)ccc1C#N ZINC000443964979 434782537 /nfs/dbraw/zinc/78/25/37/434782537.db2.gz VZTAZTANPYHDHT-QGZVFWFLSA-N 2 2 307.441 3.477 20 30 DGEDLP C[C@@H]1C[C@@H]([NH2+]CCc2cccc(C#N)c2)C[N@@H+]1Cc1ccccc1 ZINC000466420440 435076480 /nfs/dbraw/zinc/07/64/80/435076480.db2.gz AZZXIYWEMQCILY-DYESRHJHSA-N 2 2 319.452 3.353 20 30 DGEDLP C[C@@H]1C[C@@H]([NH2+]CCc2cccc(C#N)c2)C[N@H+]1Cc1ccccc1 ZINC000466420440 435076485 /nfs/dbraw/zinc/07/64/85/435076485.db2.gz AZZXIYWEMQCILY-DYESRHJHSA-N 2 2 319.452 3.353 20 30 DGEDLP C[C@H]1COCC[N@@H+]1C1CC[NH+](CCC2(C#N)CCCCC2)CC1 ZINC000563362961 435266105 /nfs/dbraw/zinc/26/61/05/435266105.db2.gz GSEYJFQEJNBQKT-KRWDZBQOSA-N 2 2 319.493 3.036 20 30 DGEDLP C[C@H]1COCC[N@H+]1C1CC[NH+](CCC2(C#N)CCCCC2)CC1 ZINC000563362961 435266111 /nfs/dbraw/zinc/26/61/11/435266111.db2.gz GSEYJFQEJNBQKT-KRWDZBQOSA-N 2 2 319.493 3.036 20 30 DGEDLP C=CC[NH+]1CCC([NH2+][C@H]2C[C@H](Oc3ccccc3)C2(C)C)CC1 ZINC000572189825 435791715 /nfs/dbraw/zinc/79/17/15/435791715.db2.gz JRODIWSHUGXKRY-OALUTQOASA-N 2 2 314.473 3.473 20 30 DGEDLP C=CCOc1ccc(C[N@@H+]2CC[C@H]([NH3+])[C@@H](CC)C2)cc1Cl ZINC000647499127 436069554 /nfs/dbraw/zinc/06/95/54/436069554.db2.gz ZZPDFWPKABDWCS-HOCLYGCPSA-N 2 2 308.853 3.464 20 30 DGEDLP C=CCOc1ccc(C[N@H+]2CC[C@H]([NH3+])[C@@H](CC)C2)cc1Cl ZINC000647499127 436069559 /nfs/dbraw/zinc/06/95/59/436069559.db2.gz ZZPDFWPKABDWCS-HOCLYGCPSA-N 2 2 308.853 3.464 20 30 DGEDLP C=CCCC[C@H](C)[NH2+]C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000562990768 333020643 /nfs/dbraw/zinc/02/06/43/333020643.db2.gz FRAKIQBOMBQLKB-IRXDYDNUSA-N 2 2 315.461 3.348 20 30 DGEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000532231675 335922173 /nfs/dbraw/zinc/92/21/73/335922173.db2.gz VTUJKLJBUMJREB-AWEZNQCLSA-N 2 2 303.406 3.204 20 30 DGEDLP Clc1ccc(C#CC[N@@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000131687549 341108289 /nfs/dbraw/zinc/10/82/89/341108289.db2.gz ZKDGSCSMLZSZQB-SFHVURJKSA-N 2 2 312.800 3.240 20 30 DGEDLP Clc1ccc(C#CC[N@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000131687549 341108290 /nfs/dbraw/zinc/10/82/90/341108290.db2.gz ZKDGSCSMLZSZQB-SFHVURJKSA-N 2 2 312.800 3.240 20 30 DGEDLP N#CC1(c2ccccc2)CC([NH2+]CCCNc2cccc[nH+]2)C1 ZINC000127560666 534576193 /nfs/dbraw/zinc/57/61/93/534576193.db2.gz GSNJCEJTPOBBGA-UHFFFAOYSA-N 2 2 306.413 3.097 20 30 DGEDLP C=C(C)C[NH+]1CCC([NH2+]C2CC[NH+](C3CCCCC3)CC2)CC1 ZINC000152937398 526602519 /nfs/dbraw/zinc/60/25/19/526602519.db2.gz BNVGFMZIAAGCTG-UHFFFAOYSA-N 3 2 319.537 3.414 20 30 DGEDLP C=CCOc1ccc(C[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)cc1Cl ZINC000430115517 526871572 /nfs/dbraw/zinc/87/15/72/526871572.db2.gz GQJSUVZGLDHSHY-SFHVURJKSA-N 2 2 320.864 3.432 20 30 DGEDLP C=CCOc1ccc(C[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)cc1Cl ZINC000430115517 526871580 /nfs/dbraw/zinc/87/15/80/526871580.db2.gz GQJSUVZGLDHSHY-SFHVURJKSA-N 2 2 320.864 3.432 20 30 DGEDLP C=CCOc1ccc(C[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)cc1Cl ZINC000430115517 526871583 /nfs/dbraw/zinc/87/15/83/526871583.db2.gz GQJSUVZGLDHSHY-SFHVURJKSA-N 2 2 320.864 3.432 20 30 DGEDLP C=CCOc1ccc(C[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)cc1Cl ZINC000430115517 526871587 /nfs/dbraw/zinc/87/15/87/526871587.db2.gz GQJSUVZGLDHSHY-SFHVURJKSA-N 2 2 320.864 3.432 20 30 DGEDLP C=CCOc1cccc(C[NH+]2CCC([NH+]3CCCC3)CC2)c1 ZINC000127718530 526898651 /nfs/dbraw/zinc/89/86/51/526898651.db2.gz MALDBUVYKFYWHY-UHFFFAOYSA-N 2 2 300.446 3.312 20 30 DGEDLP C=CC[C@@H](CO)C[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000341887787 527078500 /nfs/dbraw/zinc/07/85/00/527078500.db2.gz ZQMMYLOUOHPROQ-MRXNPFEDSA-N 2 2 322.880 3.079 20 30 DGEDLP C=CCCC[C@H](C)[N@H+](C)C[C@@H]1CCC[NH+](C)[C@H]1c1cnn(C)c1 ZINC000434734778 527274226 /nfs/dbraw/zinc/27/42/26/527274226.db2.gz ABPPFZOSSREKDO-JENIJYKNSA-N 2 2 318.509 3.480 20 30 DGEDLP C=CCCC[C@H](C)[N@@H+](C)C[C@@H]1CCC[NH+](C)[C@H]1c1cnn(C)c1 ZINC000434734778 527274230 /nfs/dbraw/zinc/27/42/30/527274230.db2.gz ABPPFZOSSREKDO-JENIJYKNSA-N 2 2 318.509 3.480 20 30 DGEDLP C=CCCC[C@H](C)[NH+](C)C[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1 ZINC000434734778 527274237 /nfs/dbraw/zinc/27/42/37/527274237.db2.gz ABPPFZOSSREKDO-JENIJYKNSA-N 2 2 318.509 3.480 20 30 DGEDLP C=CCCC[C@H](C)[NH+](C)C[C@@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1 ZINC000434734778 527274239 /nfs/dbraw/zinc/27/42/39/527274239.db2.gz ABPPFZOSSREKDO-JENIJYKNSA-N 2 2 318.509 3.480 20 30 DGEDLP C#CCCCOc1ccc[nH+]c1N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000853411631 620693742 /nfs/dbraw/zinc/69/37/42/620693742.db2.gz PMIXZCADLDQRCY-CVEARBPZSA-N 2 2 301.434 3.159 20 30 DGEDLP C=C(Cl)COc1ccc([C@H](C)[NH2+]CC23CC(C2)C[NH2+]3)cc1 ZINC000854228216 620786319 /nfs/dbraw/zinc/78/63/19/620786319.db2.gz SILXLRDVXYKCTB-CBCUQQMYSA-N 2 2 306.837 3.221 20 30 DGEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2c(C)nn(C(C)C)c2C)CC1 ZINC000892880999 618339043 /nfs/dbraw/zinc/33/90/43/618339043.db2.gz NSTFHTYNKAIJSP-UHFFFAOYSA-N 2 2 304.482 3.211 20 30 DGEDLP C[C@@H](C#N)Oc1ccc(C[NH+]2CCC(C)([NH+]3CCC3)CC2)cc1 ZINC000895672003 618816162 /nfs/dbraw/zinc/81/61/62/618816162.db2.gz SSKKUSFGXWEZGL-INIZCTEOSA-N 2 2 313.445 3.038 20 30 DGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@@H]3C[C@H]4CCC[C@@H]43)CC2)cc1 ZINC000897955389 619198539 /nfs/dbraw/zinc/19/85/39/619198539.db2.gz UCUAHYRYTHKTHI-YZGWKJHDSA-N 2 2 309.457 3.301 20 30 DGEDLP C#CCCOc1ccc(C[NH+]2CCC([NH2+]C3CCC3)CC2)cc1 ZINC000897981399 619202896 /nfs/dbraw/zinc/20/28/96/619202896.db2.gz LNBSVIKCOPAUGE-UHFFFAOYSA-N 2 2 312.457 3.195 20 30 DGEDLP C[C@H]([NH2+]CCC[NH+]1CCC(C)CC1)c1cccc(C#N)c1O ZINC000866217784 622068301 /nfs/dbraw/zinc/06/83/01/622068301.db2.gz HJFRDJPSWUABRW-HNNXBMFYSA-N 2 2 301.434 3.036 20 30 DGEDLP C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@H](C)C1)c1cccc(C#N)c1O ZINC000866234414 622072061 /nfs/dbraw/zinc/07/20/61/622072061.db2.gz SHSQWRJVMRFZTE-HOTGVXAUSA-N 2 2 315.461 3.427 20 30 DGEDLP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@H](C)C1)c1cccc(C#N)c1O ZINC000866234414 622072066 /nfs/dbraw/zinc/07/20/66/622072066.db2.gz SHSQWRJVMRFZTE-HOTGVXAUSA-N 2 2 315.461 3.427 20 30 DGEDLP C[C@H]([NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1)c1cccc(C#N)c1O ZINC000866392739 622109966 /nfs/dbraw/zinc/10/99/66/622109966.db2.gz GHTMHCOMFQEWDF-GOEBONIOSA-N 2 2 313.445 3.036 20 30 DGEDLP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1)c1cccc(C#N)c1O ZINC000866392739 622109968 /nfs/dbraw/zinc/10/99/68/622109968.db2.gz GHTMHCOMFQEWDF-GOEBONIOSA-N 2 2 313.445 3.036 20 30 DGEDLP C[C@@H]([NH2+]C[C@H]1CCC(C)(C)C[NH2+]1)c1ccc(OCC#N)cc1 ZINC000873238086 623087114 /nfs/dbraw/zinc/08/71/14/623087114.db2.gz WZYVIAVCHRVASM-GDBMZVCRSA-N 2 2 301.434 3.018 20 30 DGEDLP C#CCOc1cccc(Cl)c1C[NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000778177167 623621456 /nfs/dbraw/zinc/62/14/56/623621456.db2.gz PQTVBVHWANGTGA-HUUCEWRRSA-N 2 2 320.864 3.314 20 30 DGEDLP C#CCOc1ccc(C[NH+]2CCC(CC)([NH+](C)C)CC2)cc1 ZINC000877690374 623993682 /nfs/dbraw/zinc/99/36/82/623993682.db2.gz RTWLOBAYNMTXID-UHFFFAOYSA-N 2 2 300.446 3.005 20 30 DGEDLP CC[C@H](CC#N)[NH2+]Cc1cc(C#N)cc(C[NH2+][C@H](CC)CC#N)c1 ZINC000878698138 624342474 /nfs/dbraw/zinc/34/24/74/624342474.db2.gz BILNUSOOMIKEMT-RTBURBONSA-N 2 2 323.444 3.122 20 30 DGEDLP C=CC[C@H]([NH2+]Cc1ncc(C[NH+](C)C)s1)c1ccncc1 ZINC000796310015 626037661 /nfs/dbraw/zinc/03/76/61/626037661.db2.gz ZUNXPLUQQHAJLG-HNNXBMFYSA-N 2 2 302.447 3.007 20 30 DGEDLP C=CCC[C@H](COc1ccccc1)[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000883217483 626612702 /nfs/dbraw/zinc/61/27/02/626612702.db2.gz JTFBDQAXOKKQAN-DLBZAZTESA-N 2 2 311.429 3.201 20 30 DGEDLP C#CC[N@H+](C)CCC[NH2+][C@H]1CCCOc2cc(Cl)ccc21 ZINC000815652094 627695132 /nfs/dbraw/zinc/69/51/32/627695132.db2.gz OMDTXLKWEWXUGY-INIZCTEOSA-N 2 2 306.837 3.098 20 30 DGEDLP C#CC[N@@H+](C)CCC[NH2+][C@H]1CCCOc2cc(Cl)ccc21 ZINC000815652094 627695133 /nfs/dbraw/zinc/69/51/33/627695133.db2.gz OMDTXLKWEWXUGY-INIZCTEOSA-N 2 2 306.837 3.098 20 30 DGEDLP CC[C@H]([NH2+]Cc1ccc(SC)c(C#N)c1)[C@@H]1CCCC[NH2+]1 ZINC000925773964 627792643 /nfs/dbraw/zinc/79/26/43/627792643.db2.gz QSBQGGIYVVHPLE-HOTGVXAUSA-N 2 2 303.475 3.290 20 30 DGEDLP CC(C)(C)[C@H](Cn1cc[nH+]c1)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000817407440 627894075 /nfs/dbraw/zinc/89/40/75/627894075.db2.gz OOSSOTWFZBFPKI-INIZCTEOSA-N 2 2 300.381 3.098 20 30 DGEDLP CC[C@@H](C#N)Oc1cccc(C[NH2+][C@H](C)c2c[nH+]ccc2N)c1 ZINC000817917943 627961236 /nfs/dbraw/zinc/96/12/36/627961236.db2.gz JKRRTZBRIXXYRN-HIFRSBDPSA-N 2 2 310.401 3.026 20 30 DGEDLP C#CC[N@H+](C)CCC[NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000834813930 629783330 /nfs/dbraw/zinc/78/33/30/629783330.db2.gz ASUGUDLXPKAEBY-UHFFFAOYSA-N 3 2 321.553 3.210 20 30 DGEDLP C#CC[N@@H+](C)CCC[NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000834813930 629783334 /nfs/dbraw/zinc/78/33/34/629783334.db2.gz ASUGUDLXPKAEBY-UHFFFAOYSA-N 3 2 321.553 3.210 20 30 DGEDLP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)c1ccc(-c2ccccc2)cn1 ZINC000846169267 631213258 /nfs/dbraw/zinc/21/32/58/631213258.db2.gz GIWMLFYGACBFSK-KRWDZBQOSA-N 2 2 307.441 3.354 20 30 DGEDLP C#CC[N@H+](C)CCC[NH2+][C@@H](C)c1ccc(-c2ccccc2)cn1 ZINC000846169267 631213259 /nfs/dbraw/zinc/21/32/59/631213259.db2.gz GIWMLFYGACBFSK-KRWDZBQOSA-N 2 2 307.441 3.354 20 30 DGEDLP C[C@H]([NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12)c1ccc(OCC#N)cc1 ZINC000848569177 631696921 /nfs/dbraw/zinc/69/69/21/631696921.db2.gz WLTRURXMDGSXDO-IPELMVKDSA-N 2 2 313.445 3.256 20 30 DGEDLP C[C@H]([NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12)c1ccc(OCC#N)cc1 ZINC000848569177 631696924 /nfs/dbraw/zinc/69/69/24/631696924.db2.gz WLTRURXMDGSXDO-IPELMVKDSA-N 2 2 313.445 3.256 20 30 DGEDLP C=C(C)C[NH2+][C@@H]1CN(C(=O)c2c(C)cc(C)[nH+]c2C)CC1(C)C ZINC000996063072 660275105 /nfs/dbraw/zinc/27/51/05/660275105.db2.gz GQWYGKBJPYIPLB-MRXNPFEDSA-N 2 2 315.461 3.023 20 30 DGEDLP CCc1cccc(NC(=[NH2+])NCC[N@H+](C)Cc2ccccc2)c1 ZINC000303869852 657568558 /nfs/dbraw/zinc/56/85/58/657568558.db2.gz FDPGEMHKCXVMAS-UHFFFAOYSA-N 2 2 310.445 3.108 20 30 DGEDLP CCc1cccc(NC(=[NH2+])NCC[N@@H+](C)Cc2ccccc2)c1 ZINC000303869852 657568564 /nfs/dbraw/zinc/56/85/64/657568564.db2.gz FDPGEMHKCXVMAS-UHFFFAOYSA-N 2 2 310.445 3.108 20 30 DGEDLP CCN(CC)C(=[NH2+])NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000303878981 657570352 /nfs/dbraw/zinc/57/03/52/657570352.db2.gz GHUFMGDZBJPSPL-MRXNPFEDSA-N 2 2 322.884 3.133 20 30 DGEDLP CCCCNC(=[NH2+])NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000303906021 657578793 /nfs/dbraw/zinc/57/87/93/657578793.db2.gz VTPWGHGZYBJDCX-MRXNPFEDSA-N 2 2 322.884 3.181 20 30 DGEDLP Cc1cc(C)cc(NC(=[NH2+])NC[C@@H](c2ccccc2)[NH+](C)C)c1 ZINC000303692627 657692477 /nfs/dbraw/zinc/69/24/77/657692477.db2.gz BMLOXVXFRKPUQV-SFHVURJKSA-N 2 2 310.445 3.333 20 30 DGEDLP CCC[N@H+](CC#CCOC)C1CC[NH+](Cc2ccccc2)CC1 ZINC001620664531 1192061349 /nfs/dbraw/zinc/06/13/49/1192061349.db2.gz IAHMCJCEXLRHFF-UHFFFAOYSA-N 2 2 314.473 3.013 20 30 DGEDLP CCC[N@@H+](CC#CCOC)C1CC[NH+](Cc2ccccc2)CC1 ZINC001620664531 1192061351 /nfs/dbraw/zinc/06/13/51/1192061351.db2.gz IAHMCJCEXLRHFF-UHFFFAOYSA-N 2 2 314.473 3.013 20 30 DGEDLP C=CCC[NH2+]C1CCC(NC(=O)c2c(C)cc(C)[nH+]c2C)CC1 ZINC001752851461 1177299313 /nfs/dbraw/zinc/29/93/13/1177299313.db2.gz QFTXDIYGBALFRQ-UHFFFAOYSA-N 2 2 315.461 3.214 20 30 DGEDLP Cn1cc[nH+]c1C[C@H]([NH2+]Cc1csc(C#N)c1)c1ccccc1 ZINC001621016648 1192834110 /nfs/dbraw/zinc/83/41/10/1192834110.db2.gz RGHLUEYWLLOWFM-KRWDZBQOSA-N 2 2 322.437 3.427 20 30 DGEDLP C=CCC[NH2+]C[C@]1(C)CCN(C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001500364596 1185779974 /nfs/dbraw/zinc/77/99/74/1185779974.db2.gz WBQREBHXWNQOPT-IBGZPJMESA-N 2 2 315.461 3.025 20 30 DGEDLP C=CCC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)c1c(C)cc(C)[nH+]c1C ZINC001568532734 1190560451 /nfs/dbraw/zinc/56/04/51/1190560451.db2.gz IMVRPUWZPOSWRS-IRXDYDNUSA-N 2 2 315.461 3.071 20 30 DGEDLP C=CC[NH+]1CCC([NH2+]Cc2ccccc2OC(F)(F)F)CC1 ZINC001620772694 1191485501 /nfs/dbraw/zinc/48/55/01/1191485501.db2.gz SKDRAAFMDVWAKH-UHFFFAOYSA-N 2 2 314.351 3.325 20 30 DGEDLP CCC#C[C@H](C)[N@@H+]1CCC[NH+](Cc2ccccc2)CCOCC1 ZINC001648437494 1195299981 /nfs/dbraw/zinc/29/99/81/1195299981.db2.gz NLADLMHMOATTJT-IBGZPJMESA-N 2 2 314.473 3.013 20 30 DGEDLP CCC#C[C@H](C)[N@H+]1CCC[NH+](Cc2ccccc2)CCOCC1 ZINC001648437494 1195299984 /nfs/dbraw/zinc/29/99/84/1195299984.db2.gz NLADLMHMOATTJT-IBGZPJMESA-N 2 2 314.473 3.013 20 30 DGEDLP CCC#C[C@H](C)[NH+]1CCC[N@H+](Cc2ccccc2)CCOCC1 ZINC001648437494 1195299987 /nfs/dbraw/zinc/29/99/87/1195299987.db2.gz NLADLMHMOATTJT-IBGZPJMESA-N 2 2 314.473 3.013 20 30 DGEDLP CCC#C[C@H](C)[NH+]1CCC[N@@H+](Cc2ccccc2)CCOCC1 ZINC001648437494 1195299991 /nfs/dbraw/zinc/29/99/91/1195299991.db2.gz NLADLMHMOATTJT-IBGZPJMESA-N 2 2 314.473 3.013 20 30 DGEDLP C=CCOCCC[NH2+][C@H]1CC[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001659674859 1196405162 /nfs/dbraw/zinc/40/51/62/1196405162.db2.gz XOVJNWMOFYCKAE-HKUYNNGSSA-N 2 2 302.462 3.222 20 30 DGEDLP C=CCOCCC[NH2+][C@H]1CC[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC001659674859 1196405164 /nfs/dbraw/zinc/40/51/64/1196405164.db2.gz XOVJNWMOFYCKAE-HKUYNNGSSA-N 2 2 302.462 3.222 20 30 DGEDLP C=CCC[C@H](C)[NH2+]CCN(C)C(=O)c1c(C)cc(C)[nH+]c1C ZINC001714735113 1203113667 /nfs/dbraw/zinc/11/36/67/1203113667.db2.gz IGHLJKSIIAINCB-AWEZNQCLSA-N 2 2 303.450 3.023 20 30 DGEDLP N#Cc1ccc2c(c1)CC[N@@H+](Cc1ccc(-n3cc[nH+]c3)cc1)C2 ZINC001139356501 1091533893 /nfs/dbraw/zinc/53/38/93/1091533893.db2.gz NAMYQRIENIIHCY-UHFFFAOYSA-N 2 2 314.392 3.302 20 30 DGEDLP N#Cc1ccc2c(c1)CC[N@H+](Cc1ccc(-n3cc[nH+]c3)cc1)C2 ZINC001139356501 1091533900 /nfs/dbraw/zinc/53/39/00/1091533900.db2.gz NAMYQRIENIIHCY-UHFFFAOYSA-N 2 2 314.392 3.302 20 30 DGEDLP C=CCCCC[N@@H+]1CC[C@@H]2[C@@H](CC[NH+]2Cc2nccs2)C1 ZINC001209204152 1092695644 /nfs/dbraw/zinc/69/56/44/1092695644.db2.gz ZXWHBQHLAGVKLA-JKSUJKDBSA-N 2 2 305.491 3.396 20 30 DGEDLP C=CCCCC[N@H+]1CC[C@@H]2[C@@H](CC[NH+]2Cc2nccs2)C1 ZINC001209204152 1092695648 /nfs/dbraw/zinc/69/56/48/1092695648.db2.gz ZXWHBQHLAGVKLA-JKSUJKDBSA-N 2 2 305.491 3.396 20 30 DGEDLP C=CCCCC[NH+]1CC[C@@H]2[C@@H](CC[N@@H+]2Cc2nccs2)C1 ZINC001209204152 1092695653 /nfs/dbraw/zinc/69/56/53/1092695653.db2.gz ZXWHBQHLAGVKLA-JKSUJKDBSA-N 2 2 305.491 3.396 20 30 DGEDLP C=CCCCC[NH+]1CC[C@@H]2[C@@H](CC[N@H+]2Cc2nccs2)C1 ZINC001209204152 1092695658 /nfs/dbraw/zinc/69/56/58/1092695658.db2.gz ZXWHBQHLAGVKLA-JKSUJKDBSA-N 2 2 305.491 3.396 20 30 DGEDLP C=CCCC[NH2+][C@@H]1CN(C(=O)c2c(C)cc(C)[nH+]c2C)C[C@H]1C ZINC001215190444 1093936224 /nfs/dbraw/zinc/93/62/24/1093936224.db2.gz XWEZRAHWGXSQFZ-RHSMWYFYSA-N 2 2 315.461 3.023 20 30 DGEDLP C=CCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1c(C)cc(C)[nH+]c1C ZINC001135044180 1094377601 /nfs/dbraw/zinc/37/76/01/1094377601.db2.gz PZSCUNWLQCQJSS-DZGCQCFKSA-N 2 2 303.450 3.069 20 30 DGEDLP C[C@@H](Cc1cccc(C#N)c1)[NH2+]CC1C[NH+](Cc2ccccc2)C1 ZINC001171180821 1095656829 /nfs/dbraw/zinc/65/68/29/1095656829.db2.gz CRZWWDYFLAABKM-KRWDZBQOSA-N 2 2 319.452 3.211 20 30 DGEDLP C#Cc1ccc(C[N@@H+]2C[C@H]3C[C@H](C[NH+](Cc4ccco4)C3)C2)cc1 ZINC001144572234 1095723644 /nfs/dbraw/zinc/72/36/44/1095723644.db2.gz VBDFJVYTRJSPDS-BGYRXZFFSA-N 2 2 320.436 3.215 20 30 DGEDLP C#Cc1ccc(C[N@H+]2C[C@H]3C[C@H](C[NH+](Cc4ccco4)C3)C2)cc1 ZINC001144572234 1095723653 /nfs/dbraw/zinc/72/36/53/1095723653.db2.gz VBDFJVYTRJSPDS-BGYRXZFFSA-N 2 2 320.436 3.215 20 30 DGEDLP C#Cc1ccc(C[NH+]2C[C@H]3C[C@@H](C2)C[N@H+](Cc2ccco2)C3)cc1 ZINC001144572234 1095723661 /nfs/dbraw/zinc/72/36/61/1095723661.db2.gz VBDFJVYTRJSPDS-BGYRXZFFSA-N 2 2 320.436 3.215 20 30 DGEDLP C#Cc1ccc(C[NH+]2C[C@H]3C[C@@H](C2)C[N@@H+](Cc2ccco2)C3)cc1 ZINC001144572234 1095723672 /nfs/dbraw/zinc/72/36/72/1095723672.db2.gz VBDFJVYTRJSPDS-BGYRXZFFSA-N 2 2 320.436 3.215 20 30 DGEDLP Cc1c[nH+]ccc1O[C@@H]1CC[N@@H+]([C@@H](C)Cc2cccc(C#N)c2)C1 ZINC001171231406 1095863479 /nfs/dbraw/zinc/86/34/79/1095863479.db2.gz JDZIJDNYGQSBCI-QFBILLFUSA-N 2 2 321.424 3.346 20 30 DGEDLP Cc1c[nH+]ccc1O[C@@H]1CC[N@H+]([C@@H](C)Cc2cccc(C#N)c2)C1 ZINC001171231406 1095863499 /nfs/dbraw/zinc/86/34/99/1095863499.db2.gz JDZIJDNYGQSBCI-QFBILLFUSA-N 2 2 321.424 3.346 20 30 DGEDLP C=C(C)C[NH2+]CCCC[C@@H](C)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001171526910 1096918476 /nfs/dbraw/zinc/91/84/76/1096918476.db2.gz LFJWCSQKHOWKLF-CQSZACIVSA-N 2 2 314.433 3.017 20 30 DGEDLP Cc1[nH+]cn([C@H](C)Cc2ccc(C#N)cc2)c1CSCC[NH3+] ZINC001172302084 1097094961 /nfs/dbraw/zinc/09/49/61/1097094961.db2.gz CQZQSRFSNGIPNC-CYBMUJFWSA-N 2 2 314.458 3.059 20 30 DGEDLP Cc1c[nH+]ccc1O[C@H]1CC[N@@H+]([C@@H](C)Cc2ccc(C#N)cc2)C1 ZINC001172311218 1097096653 /nfs/dbraw/zinc/09/66/53/1097096653.db2.gz AFUIIOKDJDWKHM-LPHOPBHVSA-N 2 2 321.424 3.346 20 30 DGEDLP Cc1c[nH+]ccc1O[C@H]1CC[N@H+]([C@@H](C)Cc2ccc(C#N)cc2)C1 ZINC001172311218 1097096658 /nfs/dbraw/zinc/09/66/58/1097096658.db2.gz AFUIIOKDJDWKHM-LPHOPBHVSA-N 2 2 321.424 3.346 20 30 DGEDLP C[C@@H]1C[C@@H]([NH2+]Cc2cncc(C#N)c2)CC[N@@H+]1Cc1ccccc1 ZINC000721557457 1097526662 /nfs/dbraw/zinc/52/66/62/1097526662.db2.gz BCBOKNGJCXDXNY-UZLBHIALSA-N 2 2 320.440 3.096 20 30 DGEDLP C[C@@H]1C[C@@H]([NH2+]Cc2cncc(C#N)c2)CC[N@H+]1Cc1ccccc1 ZINC000721557457 1097526667 /nfs/dbraw/zinc/52/66/67/1097526667.db2.gz BCBOKNGJCXDXNY-UZLBHIALSA-N 2 2 320.440 3.096 20 30 DGEDLP C=CC[NH+]1CCC([NH2+]Cc2ccc(C)c(Br)c2)CC1 ZINC001177683750 1098577474 /nfs/dbraw/zinc/57/74/74/1098577474.db2.gz SHOQAVRMKDQUBN-UHFFFAOYSA-N 2 2 323.278 3.498 20 30 DGEDLP [NH3+][C@]12CC[C@@H]1C[N@H+](Cc1ccc(C#Cc3ccccc3)cc1)C2 ZINC001235982258 1099308969 /nfs/dbraw/zinc/30/89/69/1099308969.db2.gz UQJWHFDYRCRSOG-RTWAWAEBSA-N 2 2 302.421 3.010 20 30 DGEDLP [NH3+][C@]12CC[C@@H]1C[N@@H+](Cc1ccc(C#Cc3ccccc3)cc1)C2 ZINC001235982258 1099308982 /nfs/dbraw/zinc/30/89/82/1099308982.db2.gz UQJWHFDYRCRSOG-RTWAWAEBSA-N 2 2 302.421 3.010 20 30 DGEDLP [NH3+][C@@]12CC[C@H]1C[N@H+](Cc1ccccc1C#Cc1ccccc1)C2 ZINC001235989727 1099313695 /nfs/dbraw/zinc/31/36/95/1099313695.db2.gz JRZIBPPMYDENIR-LEWJYISDSA-N 2 2 302.421 3.010 20 30 DGEDLP [NH3+][C@@]12CC[C@H]1C[N@@H+](Cc1ccccc1C#Cc1ccccc1)C2 ZINC001235989727 1099313709 /nfs/dbraw/zinc/31/37/09/1099313709.db2.gz JRZIBPPMYDENIR-LEWJYISDSA-N 2 2 302.421 3.010 20 30 DGEDLP C#Cc1cccc(C[NH+]2CCC3(CC2)[NH2+]Cc2ccccc23)c1 ZINC001237363200 1100094543 /nfs/dbraw/zinc/09/45/43/1100094543.db2.gz GHAUBPUDIWKVQO-UHFFFAOYSA-N 2 2 302.421 3.262 20 30 DGEDLP N#Cc1cc(-c2ccc(F)c(-n3cc[nH+]c3)c2)cc(C2C[NH2+]C2)c1 ZINC001240361193 1100959138 /nfs/dbraw/zinc/95/91/38/1100959138.db2.gz LCMLKNRQIGNLEH-UHFFFAOYSA-N 2 2 318.355 3.237 20 30 DGEDLP N#Cc1cc(Cl)cc(-c2cccc(C[N@H+]3CC[C@@H]([NH3+])C3)c2)c1 ZINC001242570388 1102216584 /nfs/dbraw/zinc/21/65/84/1102216584.db2.gz KEKBXQZHZVIIJJ-GOSISDBHSA-N 2 2 311.816 3.412 20 30 DGEDLP N#Cc1cc(Cl)cc(-c2cccc(C[N@@H+]3CC[C@@H]([NH3+])C3)c2)c1 ZINC001242570388 1102216595 /nfs/dbraw/zinc/21/65/95/1102216595.db2.gz KEKBXQZHZVIIJJ-GOSISDBHSA-N 2 2 311.816 3.412 20 30 DGEDLP N#Cc1cc(Cl)cc(-c2ccc(C[N@H+]3CC[C@@H]([NH3+])C3)cc2)c1 ZINC001242570146 1102217455 /nfs/dbraw/zinc/21/74/55/1102217455.db2.gz BWMCBDYVQBNHNN-GOSISDBHSA-N 2 2 311.816 3.412 20 30 DGEDLP N#Cc1cc(Cl)cc(-c2ccc(C[N@@H+]3CC[C@@H]([NH3+])C3)cc2)c1 ZINC001242570146 1102217460 /nfs/dbraw/zinc/21/74/60/1102217460.db2.gz BWMCBDYVQBNHNN-GOSISDBHSA-N 2 2 311.816 3.412 20 30 DGEDLP CCCCCCC[N@H+]1C[C@@H]2C[NH+](Cc3cccnc3)C[C@@H]2C1 ZINC001201762546 1102721318 /nfs/dbraw/zinc/72/13/18/1102721318.db2.gz PAAQIEBNADGHQY-KDURUIRLSA-N 2 2 301.478 3.416 20 30 DGEDLP CCCCCCC[N@@H+]1C[C@@H]2C[NH+](Cc3cccnc3)C[C@@H]2C1 ZINC001201762546 1102721330 /nfs/dbraw/zinc/72/13/30/1102721330.db2.gz PAAQIEBNADGHQY-KDURUIRLSA-N 2 2 301.478 3.416 20 30 DGEDLP CCCCCCC[NH+]1C[C@@H]2C[N@@H+](Cc3cccnc3)C[C@@H]2C1 ZINC001201762546 1102721340 /nfs/dbraw/zinc/72/13/40/1102721340.db2.gz PAAQIEBNADGHQY-KDURUIRLSA-N 2 2 301.478 3.416 20 30 DGEDLP CCCCCCC[NH+]1C[C@@H]2C[N@H+](Cc3cccnc3)C[C@@H]2C1 ZINC001201762546 1102721343 /nfs/dbraw/zinc/72/13/43/1102721343.db2.gz PAAQIEBNADGHQY-KDURUIRLSA-N 2 2 301.478 3.416 20 30 DGEDLP C=C[C@H](COC)[NH2+][C@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC001330620660 1104595527 /nfs/dbraw/zinc/59/55/27/1104595527.db2.gz GOFHCPWGHOHRCD-AOIWGVFYSA-N 2 2 300.446 3.145 20 30 DGEDLP C=C[C@H](COC)[NH2+][C@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC001330620660 1104595532 /nfs/dbraw/zinc/59/55/32/1104595532.db2.gz GOFHCPWGHOHRCD-AOIWGVFYSA-N 2 2 300.446 3.145 20 30 DGEDLP C=CCC[C@H](C)[N@@H+](C)C[C@H](C)NC(=O)c1c(C)cc(C)[nH+]c1C ZINC001275607383 1104830919 /nfs/dbraw/zinc/83/09/19/1104830919.db2.gz PISHFFLEQHGZBX-HOTGVXAUSA-N 2 2 317.477 3.412 20 30 DGEDLP C=CCC[C@H](C)[N@H+](C)C[C@H](C)NC(=O)c1c(C)cc(C)[nH+]c1C ZINC001275607383 1104830924 /nfs/dbraw/zinc/83/09/24/1104830924.db2.gz PISHFFLEQHGZBX-HOTGVXAUSA-N 2 2 317.477 3.412 20 30 DGEDLP CCCCCCCc1ccc(-c2noc(C[C@@H]([NH3+])C[NH3+])n2)cc1 ZINC001249128841 1105229631 /nfs/dbraw/zinc/22/96/31/1105229631.db2.gz HBFNOJQLOLBNOE-MRXNPFEDSA-N 2 2 316.449 3.078 20 30 DGEDLP N#C[C@@H]1CC[C@@H]([NH+]2CCC([NH3+])(c3ccc(Cl)cc3)CC2)C1 ZINC001254646559 1106120452 /nfs/dbraw/zinc/12/04/52/1106120452.db2.gz BHVVCCSNDUVCQY-CZUORRHYSA-N 2 2 303.837 3.282 20 30 DGEDLP C[C@@]1(C#N)CC[N@@H+]([C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001255151326 1106191166 /nfs/dbraw/zinc/19/11/66/1106191166.db2.gz WUAWHHICMUPHCW-YRPNKDGESA-N 2 2 309.457 3.418 20 30 DGEDLP C[C@@]1(C#N)CC[N@H+]([C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001255151326 1106191168 /nfs/dbraw/zinc/19/11/68/1106191168.db2.gz WUAWHHICMUPHCW-YRPNKDGESA-N 2 2 309.457 3.418 20 30 DGEDLP C[C@@]1(C#N)CC[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001255151326 1106191172 /nfs/dbraw/zinc/19/11/72/1106191172.db2.gz WUAWHHICMUPHCW-YRPNKDGESA-N 2 2 309.457 3.418 20 30 DGEDLP C[C@@]1(C#N)CC[NH+]([C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001255151326 1106191174 /nfs/dbraw/zinc/19/11/74/1106191174.db2.gz WUAWHHICMUPHCW-YRPNKDGESA-N 2 2 309.457 3.418 20 30 DGEDLP C=C(C)CC[NH2+]C1CC(N(C)C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001279264482 1109143798 /nfs/dbraw/zinc/14/37/98/1109143798.db2.gz KSXFGHMGLBBLAE-UHFFFAOYSA-N 2 2 315.461 3.166 20 30 DGEDLP C[C@H]1[C@H]([NH2+]Cc2ccc(C#N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000309718349 231100777 /nfs/dbraw/zinc/10/07/77/231100777.db2.gz LMFJYQPHNGLCCK-OXJNMPFZSA-N 2 2 305.425 3.311 20 30 DGEDLP C[C@H]1[C@H]([NH2+]Cc2ccc(C#N)cc2)CC[N@H+]1Cc1ccccc1 ZINC000309718349 231100781 /nfs/dbraw/zinc/10/07/81/231100781.db2.gz LMFJYQPHNGLCCK-OXJNMPFZSA-N 2 2 305.425 3.311 20 30 DGEDLP C=CC[NH+]1CCC([NH2+][C@@H](CC)c2cccc([N+](=O)[O-])c2)CC1 ZINC000177910681 186202769 /nfs/dbraw/zinc/20/27/69/186202769.db2.gz BQPLLGOYFDNLAC-KRWDZBQOSA-N 2 2 303.406 3.286 20 30 DGEDLP N#Cc1cc(F)ccc1C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134868252 432087676 /nfs/dbraw/zinc/08/76/76/432087676.db2.gz UMBDTMHMOZEOST-BEFAXECRSA-N 2 2 313.420 3.146 20 30 DGEDLP N#Cc1cc(F)ccc1C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134868252 432087679 /nfs/dbraw/zinc/08/76/79/432087679.db2.gz UMBDTMHMOZEOST-BEFAXECRSA-N 2 2 313.420 3.146 20 30 DGEDLP N#Cc1cc(F)ccc1C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134868252 432087681 /nfs/dbraw/zinc/08/76/81/432087681.db2.gz UMBDTMHMOZEOST-BEFAXECRSA-N 2 2 313.420 3.146 20 30 DGEDLP N#Cc1cc(F)ccc1C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134868252 432087683 /nfs/dbraw/zinc/08/76/83/432087683.db2.gz UMBDTMHMOZEOST-BEFAXECRSA-N 2 2 313.420 3.146 20 30 DGEDLP COc1cc(C[NH2+]CCCc2[nH]c3ccccc3[nH+]2)ccc1C#N ZINC000281449066 216307272 /nfs/dbraw/zinc/30/72/72/216307272.db2.gz ACOPHLKCDJMVGB-UHFFFAOYSA-N 2 2 320.396 3.166 20 30 DGEDLP CSC1(C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)CC1 ZINC000193829214 201131471 /nfs/dbraw/zinc/13/14/71/201131471.db2.gz NGRQGPRTIZQKAE-UHFFFAOYSA-N 2 2 315.486 3.008 20 30 DGEDLP N#C[C@H]1CC[C@H]([NH2+]C2CC[NH+](Cc3ccc(F)cc3)CC2)C1 ZINC000442713391 239116149 /nfs/dbraw/zinc/11/61/49/239116149.db2.gz WNDJJCZFWRUSGL-YJBOKZPZSA-N 2 2 301.409 3.072 20 30 DGEDLP C=CCC[C@H](CO)[NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000449694724 240374605 /nfs/dbraw/zinc/37/46/05/240374605.db2.gz CFCQOGXVLHVPCF-QGZVFWFLSA-N 2 2 322.880 3.221 20 30 DGEDLP C=C(C)COCC[NH2+][C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2)C1 ZINC000468509620 244048210 /nfs/dbraw/zinc/04/82/10/244048210.db2.gz HEJWTEKXLVRIEM-PKOBYXMFSA-N 2 2 302.462 3.079 20 30 DGEDLP C=C(C)COCC[NH2+][C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2)C1 ZINC000468509620 244048213 /nfs/dbraw/zinc/04/82/13/244048213.db2.gz HEJWTEKXLVRIEM-PKOBYXMFSA-N 2 2 302.462 3.079 20 30 DGEDLP C[C@@H]([NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1ccccn1 ZINC000181394251 432125949 /nfs/dbraw/zinc/12/59/49/432125949.db2.gz ULZJOPFRJLVEAO-MRXNPFEDSA-N 2 2 320.440 3.268 20 30 DGEDLP N#Cc1ccc(C[NH2+]Cc2ccccc2Cn2cc[nH+]c2)s1 ZINC000343158975 254108704 /nfs/dbraw/zinc/10/87/04/254108704.db2.gz MPXBUXYCECHMCG-UHFFFAOYSA-N 2 2 308.410 3.154 20 30 DGEDLP Cc1ccc(N2CCC([NH2+]Cc3ccc(C#N)cc3F)CC2)[nH+]c1 ZINC000344515082 254278693 /nfs/dbraw/zinc/27/86/93/254278693.db2.gz DJIVIPBEDMXUEF-UHFFFAOYSA-N 2 2 324.403 3.159 20 30 DGEDLP COc1ccc([C@H](C[NH2+][C@@H]2CC[C@@H](C#N)C2)[NH+]2CCCC2)cc1 ZINC000442633410 533184442 /nfs/dbraw/zinc/18/44/42/533184442.db2.gz IWDPRJNQXJFKEJ-SUMDDJOVSA-N 2 2 313.445 3.114 20 30 DGEDLP Cc1c[nH+]ccc1OC1CC[NH+](CCc2ccc(C#N)cc2)CC1 ZINC000595459884 400157473 /nfs/dbraw/zinc/15/74/73/400157473.db2.gz APOZBTQTCHIHPU-UHFFFAOYSA-N 2 2 321.424 3.348 20 30 DGEDLP C[C@@]1(C#N)CC[NH+](Cc2ccc(C[N@H+]3CC[C@@](C)(C#N)C3)cc2)C1 ZINC000595841926 400279516 /nfs/dbraw/zinc/27/95/16/400279516.db2.gz WUNZBDDDMVUYJD-PMACEKPBSA-N 2 2 322.456 3.158 20 30 DGEDLP C[C@@]1(C#N)CC[NH+](Cc2ccc(C[N@@H+]3CC[C@@](C)(C#N)C3)cc2)C1 ZINC000595841926 400279524 /nfs/dbraw/zinc/27/95/24/400279524.db2.gz WUNZBDDDMVUYJD-PMACEKPBSA-N 2 2 322.456 3.158 20 30 DGEDLP C[C@]1(C#N)CC[NH+](Cc2ccccc2C[N@H+]2CC[C@](C)(C#N)C2)C1 ZINC000595845293 400280979 /nfs/dbraw/zinc/28/09/79/400280979.db2.gz ZNFAFGQBQRMEPV-WOJBJXKFSA-N 2 2 322.456 3.158 20 30 DGEDLP C[C@]1(C#N)CC[NH+](Cc2ccccc2C[N@@H+]2CC[C@](C)(C#N)C2)C1 ZINC000595845293 400280984 /nfs/dbraw/zinc/28/09/84/400280984.db2.gz ZNFAFGQBQRMEPV-WOJBJXKFSA-N 2 2 322.456 3.158 20 30 DGEDLP C[NH2+]C[C@@H]1CCC[N@H+](Cc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000595890219 400288281 /nfs/dbraw/zinc/28/82/81/400288281.db2.gz CYBUTDYOLCSUOP-ZDUSSCGKSA-N 2 2 311.351 3.008 20 30 DGEDLP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000595890219 400288285 /nfs/dbraw/zinc/28/82/85/400288285.db2.gz CYBUTDYOLCSUOP-ZDUSSCGKSA-N 2 2 311.351 3.008 20 30 DGEDLP CCC[N@H+](Cc1ccc(C#N)cc1C(F)(F)F)[C@@H]1CC[NH2+]C1 ZINC000595893576 400289352 /nfs/dbraw/zinc/28/93/52/400289352.db2.gz RKFWTLMMBLMFGY-CQSZACIVSA-N 2 2 311.351 3.151 20 30 DGEDLP CCC[N@@H+](Cc1ccc(C#N)cc1C(F)(F)F)[C@@H]1CC[NH2+]C1 ZINC000595893576 400289357 /nfs/dbraw/zinc/28/93/57/400289357.db2.gz RKFWTLMMBLMFGY-CQSZACIVSA-N 2 2 311.351 3.151 20 30 DGEDLP Cc1occc1C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000611438221 400401128 /nfs/dbraw/zinc/40/11/28/400401128.db2.gz LHDLUFXKNYSBOY-UHFFFAOYSA-N 2 2 309.413 3.214 20 30 DGEDLP C[C@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](Cc2cccc(C#N)n2)C1 ZINC000602450970 400466825 /nfs/dbraw/zinc/46/68/25/400466825.db2.gz MQXJHANNWWJDLP-IRXDYDNUSA-N 2 2 312.461 3.040 20 30 DGEDLP C[C@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](Cc2cccc(C#N)n2)C1 ZINC000602450970 400466826 /nfs/dbraw/zinc/46/68/26/400466826.db2.gz MQXJHANNWWJDLP-IRXDYDNUSA-N 2 2 312.461 3.040 20 30 DGEDLP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](Cc2cccc(C#N)n2)C1 ZINC000602450970 400466827 /nfs/dbraw/zinc/46/68/27/400466827.db2.gz MQXJHANNWWJDLP-IRXDYDNUSA-N 2 2 312.461 3.040 20 30 DGEDLP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](Cc2cccc(C#N)n2)C1 ZINC000602450970 400466828 /nfs/dbraw/zinc/46/68/28/400466828.db2.gz MQXJHANNWWJDLP-IRXDYDNUSA-N 2 2 312.461 3.040 20 30 DGEDLP C[C@@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)c1ccc(C#N)cc1 ZINC000596650378 400472394 /nfs/dbraw/zinc/47/23/94/400472394.db2.gz PRFYNIYKOBUZOM-JSNMRZPZSA-N 2 2 323.415 3.494 20 30 DGEDLP C[C@H](c1ccccc1)[NH+]1CCC([NH2+]Cc2cccc(C#N)n2)CC1 ZINC000602551096 400494273 /nfs/dbraw/zinc/49/42/73/400494273.db2.gz LZFXYHPXWMMYCF-MRXNPFEDSA-N 2 2 320.440 3.268 20 30 DGEDLP CC(C)(C#N)C[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000612585185 400570576 /nfs/dbraw/zinc/57/05/76/400570576.db2.gz QWJBJYKQCKQCGB-UHFFFAOYSA-N 2 2 305.853 3.444 20 30 DGEDLP N#CC1(c2ccc(C[N@@H+]3CCC[C@H](n4cc[nH+]c4)C3)cc2)CC1 ZINC000596997227 400537558 /nfs/dbraw/zinc/53/75/58/400537558.db2.gz BBDGDGDTXAHDDQ-SFHVURJKSA-N 2 2 306.413 3.275 20 30 DGEDLP N#CC1(c2ccc(C[N@H+]3CCC[C@H](n4cc[nH+]c4)C3)cc2)CC1 ZINC000596997227 400537564 /nfs/dbraw/zinc/53/75/64/400537564.db2.gz BBDGDGDTXAHDDQ-SFHVURJKSA-N 2 2 306.413 3.275 20 30 DGEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2ccc(OC)cc2Cl)CC1 ZINC000592290790 400634467 /nfs/dbraw/zinc/63/44/67/400634467.db2.gz CPXIGBTUORLUJV-UHFFFAOYSA-N 2 2 308.853 3.479 20 30 DGEDLP C=CC[NH+]1CCC([NH2+][C@H]2C[C@H](OCC)C23CCCCC3)CC1 ZINC000181716777 400890123 /nfs/dbraw/zinc/89/01/23/400890123.db2.gz HQHDEUKQVJOLAE-ROUUACIJSA-N 2 2 306.494 3.354 20 30 DGEDLP Cc1ccc2[nH+]cc(C[NH2+]Cc3ccc(C#N)c(Cl)c3)n2c1 ZINC000619748746 400898415 /nfs/dbraw/zinc/89/84/15/400898415.db2.gz SDEUBEIESSXCSY-UHFFFAOYSA-N 2 2 310.788 3.458 20 30 DGEDLP N#CC1(c2ccc(C[NH2+]C[C@@H]3CC[N@@H+]3C3CCCC3)cc2)CC1 ZINC000598997403 400923934 /nfs/dbraw/zinc/92/39/34/400923934.db2.gz AANPLABEATXDHF-IBGZPJMESA-N 2 2 309.457 3.348 20 30 DGEDLP N#CC1(c2ccc(C[NH2+]C[C@@H]3CC[N@H+]3C3CCCC3)cc2)CC1 ZINC000598997403 400923938 /nfs/dbraw/zinc/92/39/38/400923938.db2.gz AANPLABEATXDHF-IBGZPJMESA-N 2 2 309.457 3.348 20 30 DGEDLP C=CC[NH+]1CCC([NH2+][C@H]2CCCOc3c(OC)cccc32)CC1 ZINC000631580587 401504925 /nfs/dbraw/zinc/50/49/25/401504925.db2.gz MMJWBGFQARUXJF-KRWDZBQOSA-N 2 2 316.445 3.149 20 30 DGEDLP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000163195755 228261322 /nfs/dbraw/zinc/26/13/22/228261322.db2.gz WYIPDVYZZYZQBU-OALUTQOASA-N 2 2 308.429 3.353 20 30 DGEDLP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000163195755 228261326 /nfs/dbraw/zinc/26/13/26/228261326.db2.gz WYIPDVYZZYZQBU-OALUTQOASA-N 2 2 308.429 3.353 20 30 DGEDLP N#CCCCOc1cccc(C[NH2+][C@H]2CC[N@@H+]3CCCC[C@H]23)c1 ZINC000338956379 229072257 /nfs/dbraw/zinc/07/22/57/229072257.db2.gz YBBDRDAQPVRTKI-RBUKOAKNSA-N 2 2 313.445 3.086 20 30 DGEDLP N#CCCCOc1cccc(C[NH2+][C@H]2CC[N@H+]3CCCC[C@H]23)c1 ZINC000338956379 229072260 /nfs/dbraw/zinc/07/22/60/229072260.db2.gz YBBDRDAQPVRTKI-RBUKOAKNSA-N 2 2 313.445 3.086 20 30 DGEDLP C[C@@H]1[C@H]([NH2+]C2CCC(C#N)(c3ccccc3)CC2)CCC[N@@H+]1C ZINC000346337557 229169227 /nfs/dbraw/zinc/16/92/27/229169227.db2.gz TUCGZEMUOWUACA-IHJVYAAUSA-N 2 2 311.473 3.463 20 30 DGEDLP C[C@@H]1[C@H]([NH2+]C2CCC(C#N)(c3ccccc3)CC2)CCC[N@H+]1C ZINC000346337557 229169231 /nfs/dbraw/zinc/16/92/31/229169231.db2.gz TUCGZEMUOWUACA-IHJVYAAUSA-N 2 2 311.473 3.463 20 30 DGEDLP C[C@@H](c1cccnc1)[NH+](C)CC#CC[N@@H+](C)[C@@H](C)c1cccnc1 ZINC000351180778 229233671 /nfs/dbraw/zinc/23/36/71/229233671.db2.gz HFZAFRKQAXRWHK-ROUUACIJSA-N 2 2 322.456 3.166 20 30 DGEDLP C[C@@H](c1cccnc1)[NH+](C)CC#CC[N@H+](C)[C@@H](C)c1cccnc1 ZINC000351180778 229233675 /nfs/dbraw/zinc/23/36/75/229233675.db2.gz HFZAFRKQAXRWHK-ROUUACIJSA-N 2 2 322.456 3.166 20 30 DGEDLP C[C@H]([NH2+]C1CC[NH+](Cc2cccnc2)CC1)c1ccc(C#N)cc1 ZINC000357997085 267179729 /nfs/dbraw/zinc/17/97/29/267179729.db2.gz URBRBQCOYNSUSO-INIZCTEOSA-N 2 2 320.440 3.268 20 30 DGEDLP Cc1cc(NCC2CC[NH+](Cc3ccccc3)CC2)c(C#N)c[nH+]1 ZINC000399446442 267300102 /nfs/dbraw/zinc/30/01/02/267300102.db2.gz QBHJJQIVZVKDSH-UHFFFAOYSA-N 2 2 320.440 3.008 20 30 DGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@H]3CC[C@H](F)C3)CC2)cc1 ZINC000348410325 268065974 /nfs/dbraw/zinc/06/59/74/268065974.db2.gz OHPGJODQFQITDV-WMZOPIPTSA-N 2 2 301.409 3.003 20 30 DGEDLP N#Cc1ccc(C[NH2+]C2CC[NH+](CC3CCCCC3)CC2)o1 ZINC000363167325 268072549 /nfs/dbraw/zinc/07/25/49/268072549.db2.gz HMSKWMWXKWYUAZ-UHFFFAOYSA-N 2 2 301.434 3.286 20 30 DGEDLP C[N@@H+]1CCC[C@H]2C[NH+](CC#Cc3ccc(Cl)cc3)CC[C@@H]21 ZINC000158533612 277083385 /nfs/dbraw/zinc/08/33/85/277083385.db2.gz DOZCOVNERIDOFM-WMZOPIPTSA-N 2 2 302.849 3.108 20 30 DGEDLP C[N@H+]1CCC[C@H]2C[NH+](CC#Cc3ccc(Cl)cc3)CC[C@@H]21 ZINC000158533612 277083386 /nfs/dbraw/zinc/08/33/86/277083386.db2.gz DOZCOVNERIDOFM-WMZOPIPTSA-N 2 2 302.849 3.108 20 30 DGEDLP C[NH+]1CCC[C@H]2C[N@H+](CC#Cc3ccc(Cl)cc3)CC[C@@H]21 ZINC000158533612 277083387 /nfs/dbraw/zinc/08/33/87/277083387.db2.gz DOZCOVNERIDOFM-WMZOPIPTSA-N 2 2 302.849 3.108 20 30 DGEDLP C[NH+]1CCC[C@H]2C[N@@H+](CC#Cc3ccc(Cl)cc3)CC[C@@H]21 ZINC000158533612 277083388 /nfs/dbraw/zinc/08/33/88/277083388.db2.gz DOZCOVNERIDOFM-WMZOPIPTSA-N 2 2 302.849 3.108 20 30 DGEDLP CC(C)(C)c1cn2c([nH+]1)CC[C@H]([NH2+][C@@H]1CCC[C@H](C#N)C1)C2 ZINC000332584749 277271073 /nfs/dbraw/zinc/27/10/73/277271073.db2.gz CAYSEIYCZIMGII-ZNMIVQPWSA-N 2 2 300.450 3.167 20 30 DGEDLP N#Cc1cccc(C[NH2+]C[C@@H]2CCC[N@@H+]2Cc2ccccc2)c1 ZINC000114772265 431412975 /nfs/dbraw/zinc/41/29/75/431412975.db2.gz ZMSCGXJZKXEFFM-FQEVSTJZSA-N 2 2 305.425 3.312 20 30 DGEDLP N#Cc1cccc(C[NH2+]C[C@@H]2CCC[N@H+]2Cc2ccccc2)c1 ZINC000114772265 431412981 /nfs/dbraw/zinc/41/29/81/431412981.db2.gz ZMSCGXJZKXEFFM-FQEVSTJZSA-N 2 2 305.425 3.312 20 30 DGEDLP CC1(C)C[N@@H+](C2(C[NH2+][C@@H]3CC[C@@H](C#N)C3)CCCCC2)CCO1 ZINC000442767756 281230523 /nfs/dbraw/zinc/23/05/23/281230523.db2.gz NHQUOKHICTXYGY-IAGOWNOFSA-N 2 2 319.493 3.082 20 30 DGEDLP CC1(C)C[N@H+](C2(C[NH2+][C@@H]3CC[C@@H](C#N)C3)CCCCC2)CCO1 ZINC000442767756 281230527 /nfs/dbraw/zinc/23/05/27/281230527.db2.gz NHQUOKHICTXYGY-IAGOWNOFSA-N 2 2 319.493 3.082 20 30 DGEDLP CC[NH+](CC)C[C@@H]1CC[N@H+](CC#Cc2cccc(Cl)c2)C1 ZINC000154134945 432474955 /nfs/dbraw/zinc/47/49/55/432474955.db2.gz CZZUFFWHPSWZCQ-KRWDZBQOSA-N 2 2 304.865 3.355 20 30 DGEDLP CC[NH+](CC)C[C@@H]1CC[N@@H+](CC#Cc2cccc(Cl)c2)C1 ZINC000154134945 432474959 /nfs/dbraw/zinc/47/49/59/432474959.db2.gz CZZUFFWHPSWZCQ-KRWDZBQOSA-N 2 2 304.865 3.355 20 30 DGEDLP N#Cc1ccc(C[NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)s1 ZINC000176955421 432569893 /nfs/dbraw/zinc/56/98/93/432569893.db2.gz GUABPVKIHCFUPN-UHFFFAOYSA-N 2 2 312.373 3.234 20 30 DGEDLP Cc1[nH+]c2ccccc2n1C1CC[NH+](C[C@H](C#N)CCC#N)CC1 ZINC000280176797 282077746 /nfs/dbraw/zinc/07/77/46/282077746.db2.gz GOIZWGBAJXSSIZ-INIZCTEOSA-N 2 2 321.428 3.425 20 30 DGEDLP C[C@@H]1C[C@@H]([NH2+]CCSCc2ccccc2C#N)C[N@@H+]1C1CC1 ZINC000177822938 432664934 /nfs/dbraw/zinc/66/49/34/432664934.db2.gz FIVDNHRTTCVNDI-RHSMWYFYSA-N 2 2 315.486 3.006 20 30 DGEDLP C[C@@H]1C[C@@H]([NH2+]CCSCc2ccccc2C#N)C[N@H+]1C1CC1 ZINC000177822938 432664938 /nfs/dbraw/zinc/66/49/38/432664938.db2.gz FIVDNHRTTCVNDI-RHSMWYFYSA-N 2 2 315.486 3.006 20 30 DGEDLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@@H]1CC[C@@H](C#N)C1 ZINC000278535414 432896998 /nfs/dbraw/zinc/89/69/98/432896998.db2.gz FOBABAQWKFEWED-QZTJIDSGSA-N 2 2 312.461 3.312 20 30 DGEDLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@@H]1CC[C@@H](C#N)C1 ZINC000278535414 432897001 /nfs/dbraw/zinc/89/70/01/432897001.db2.gz FOBABAQWKFEWED-QZTJIDSGSA-N 2 2 312.461 3.312 20 30 DGEDLP C#C[C@@H]([NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)C(C)(C)C ZINC000290180558 433006796 /nfs/dbraw/zinc/00/67/96/433006796.db2.gz NTFGBTLUWDSAEG-LJQANCHMSA-N 2 2 309.457 3.160 20 30 DGEDLP C=CC[NH+]1CCC([NH2+]Cc2cc(Cl)c(O)c(OCC)c2)CC1 ZINC000298431095 433137812 /nfs/dbraw/zinc/13/78/12/433137812.db2.gz MZEPKCUNRLJZCF-UHFFFAOYSA-N 2 2 324.852 3.184 20 30 DGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@@H]3CCCC[C@H]3F)CC2)cc1 ZINC000414290059 433515816 /nfs/dbraw/zinc/51/58/16/433515816.db2.gz SCFYZJHOYCKRRN-RTBURBONSA-N 2 2 315.436 3.393 20 30 DGEDLP C=C(C)C[NH+]1CCC([NH2+][C@H](C)c2cnc(OC)c(Cl)c2)CC1 ZINC000284068449 433829207 /nfs/dbraw/zinc/82/92/07/433829207.db2.gz ASBJKAJTAKZARU-CYBMUJFWSA-N 2 2 323.868 3.435 20 30 DGEDLP C=CCOc1ccccc1C[NH2+][C@@H](Cc1ccccc1)[C@@H](C)[NH3+] ZINC000422901389 434098005 /nfs/dbraw/zinc/09/80/05/434098005.db2.gz BXVMNIHEBPNADX-APWZRJJASA-N 2 2 310.441 3.300 20 30 DGEDLP C=CCC[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)c1ccco1 ZINC000286119540 434171157 /nfs/dbraw/zinc/17/11/57/434171157.db2.gz NONMDYYDOUBSBE-BZSNNMDCSA-N 2 2 318.461 3.254 20 30 DGEDLP CC1CC[NH+](C2CCC(NC(=O)CCc3[nH]cc[nH+]3)CC2)CC1 ZINC000329372673 434403130 /nfs/dbraw/zinc/40/31/30/434403130.db2.gz JNNGDBHMWUDJNW-UHFFFAOYSA-N 2 2 318.465 3.342 20 30 DGEDLP CC[C@H](C[NH2+][C@@H]1CCC[C@H](C#N)C1)[N@@H+]1CCc2ccccc2C1 ZINC000463287917 434952227 /nfs/dbraw/zinc/95/22/27/434952227.db2.gz NWEKUOARFUZWRH-PWIZWCRZSA-N 2 2 311.473 3.495 20 30 DGEDLP CC[C@H](C[NH2+][C@@H]1CCC[C@H](C#N)C1)[N@H+]1CCc2ccccc2C1 ZINC000463287917 434952228 /nfs/dbraw/zinc/95/22/28/434952228.db2.gz NWEKUOARFUZWRH-PWIZWCRZSA-N 2 2 311.473 3.495 20 30 DGEDLP C#C[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1ccc(F)cc1 ZINC000491228585 435718529 /nfs/dbraw/zinc/71/85/29/435718529.db2.gz AUSXKOXXLIEIJA-LJQANCHMSA-N 2 2 305.356 3.476 20 30 DGEDLP C=CCc1cc(C[NH2+]C[C@@H]2CC[N@@H+]2C(C)(C)C)cc(OC)c1O ZINC000657525829 436233528 /nfs/dbraw/zinc/23/35/28/436233528.db2.gz XDULACKTXFWCBV-INIZCTEOSA-N 2 2 318.461 3.092 20 30 DGEDLP C=CCc1cc(C[NH2+]C[C@@H]2CC[N@H+]2C(C)(C)C)cc(OC)c1O ZINC000657525829 436233531 /nfs/dbraw/zinc/23/35/31/436233531.db2.gz XDULACKTXFWCBV-INIZCTEOSA-N 2 2 318.461 3.092 20 30 DGEDLP N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000564219930 315163619 /nfs/dbraw/zinc/16/36/19/315163619.db2.gz FGAZVTMKYWWULW-FUHWJXTLSA-N 2 2 306.413 3.127 20 30 DGEDLP C=CC[NH+](CC=C)[C@H](C[NH2+][C@@H]1[C@H]2CCCO[C@@H]2C1(C)C)C(C)C ZINC000537297184 337929226 /nfs/dbraw/zinc/92/92/26/337929226.db2.gz OYVKIEPZDGBXNG-MKXGPGLRSA-N 2 2 320.521 3.478 20 30 DGEDLP C=C[C@H]1CCCC[N@@H+]1CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000510790082 340311028 /nfs/dbraw/zinc/31/10/28/340311028.db2.gz FARSUTFYQHHRJR-IBGZPJMESA-N 2 2 313.489 3.239 20 30 DGEDLP C=C[C@H]1CCCC[N@H+]1CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000510790082 340311029 /nfs/dbraw/zinc/31/10/29/340311029.db2.gz FARSUTFYQHHRJR-IBGZPJMESA-N 2 2 313.489 3.239 20 30 DGEDLP C=C(C)C[NH+]1CCC([NH2+][C@H](c2ccccc2)c2cncnc2)CC1 ZINC000543592900 341049878 /nfs/dbraw/zinc/04/98/78/341049878.db2.gz KCZFCFDZPKKWIT-HXUWFJFHSA-N 2 2 322.456 3.196 20 30 DGEDLP CC(C)(CCC#N)C[NH2+]CC1(C[NH+]2CCOCC2)CCCCC1 ZINC000083476697 341352605 /nfs/dbraw/zinc/35/26/05/341352605.db2.gz ZNJGSDHSGBKXGG-UHFFFAOYSA-N 2 2 321.509 3.189 20 30 DGEDLP COc1cc(C[NH2+]C[C@@H]([NH3+])c2ccc(C(C)C)cc2)ccc1C#N ZINC000414826297 533878242 /nfs/dbraw/zinc/87/82/42/533878242.db2.gz FJQNHSCIWBEKCD-LJQANCHMSA-N 2 2 323.440 3.480 20 30 DGEDLP Clc1cccc(C#CC[N@@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)c1 ZINC000157314305 534641287 /nfs/dbraw/zinc/64/12/87/534641287.db2.gz ZJDPCJLNLOGXNC-SFHVURJKSA-N 2 2 312.800 3.240 20 30 DGEDLP Clc1cccc(C#CC[N@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)c1 ZINC000157314305 534641292 /nfs/dbraw/zinc/64/12/92/534641292.db2.gz ZJDPCJLNLOGXNC-SFHVURJKSA-N 2 2 312.800 3.240 20 30 DGEDLP C=CCCCC[C@@H](C)[NH2+]C1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000449104770 534696677 /nfs/dbraw/zinc/69/66/77/534696677.db2.gz BFOUZLPNZPVFFA-QGZVFWFLSA-N 3 2 307.526 3.270 20 30 DGEDLP C=C(C)C[NH+]1CCC([NH2+][C@H](C)c2ccc(OC)c(O)c2)CC1 ZINC000353392420 526606969 /nfs/dbraw/zinc/60/69/69/526606969.db2.gz ZDHUYUSALPMJRG-CQSZACIVSA-N 2 2 304.434 3.092 20 30 DGEDLP C=CCOc1ccc(C[NH+]2CCC([NH2+]CC3CC3)CC2)cc1 ZINC000347113276 526866024 /nfs/dbraw/zinc/86/60/24/526866024.db2.gz RLUSHFGVDIMZTJ-UHFFFAOYSA-N 2 2 300.446 3.215 20 30 DGEDLP C=CC1CC[NH+](C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)CC1 ZINC000341897721 526980985 /nfs/dbraw/zinc/98/09/85/526980985.db2.gz RPXBQJICOJDIDE-FQEVSTJZSA-N 2 2 314.473 3.176 20 30 DGEDLP C=CC1CC[NH+](C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC1 ZINC000341897721 526980991 /nfs/dbraw/zinc/98/09/91/526980991.db2.gz RPXBQJICOJDIDE-FQEVSTJZSA-N 2 2 314.473 3.176 20 30 DGEDLP C#CCOc1ccc([C@@H](C)[NH2+]CCc2cn3ccccc3[nH+]2)cc1 ZINC000130593737 527114539 /nfs/dbraw/zinc/11/45/39/527114539.db2.gz IQYFFTPYBOTOIW-MRXNPFEDSA-N 2 2 319.408 3.240 20 30 DGEDLP CC[NH+]1CCN(c2ccc([NH2+][C@H]3CC[C@H](C#N)C3)c(C)c2)CC1 ZINC000442872845 527708180 /nfs/dbraw/zinc/70/81/80/527708180.db2.gz OAIPUIKUBWSEHY-IRXDYDNUSA-N 2 2 312.461 3.241 20 30 DGEDLP CC1(C#N)CCC([NH2+]CC2([NH+]3CCSCC3)CCCC2)CC1 ZINC000449079855 535272658 /nfs/dbraw/zinc/27/26/58/535272658.db2.gz QNTUJSLYTYKBCW-UHFFFAOYSA-N 2 2 321.534 3.410 20 30 DGEDLP C[NH+](CC#CC[N@@H+](C)Cc1ccsc1)Cc1ccsc1 ZINC000671239939 547779084 /nfs/dbraw/zinc/77/90/84/547779084.db2.gz OMDKVYUTHHMAHF-UHFFFAOYSA-N 2 2 304.484 3.377 20 30 DGEDLP C[NH+](CC#CC[N@H+](C)Cc1ccsc1)Cc1ccsc1 ZINC000671239939 547779087 /nfs/dbraw/zinc/77/90/87/547779087.db2.gz OMDKVYUTHHMAHF-UHFFFAOYSA-N 2 2 304.484 3.377 20 30 DGEDLP C=CCOc1cccc(C[NH+]2CCC(C)([NH+]3CCC3)CC2)c1 ZINC000895672077 618816199 /nfs/dbraw/zinc/81/61/99/618816199.db2.gz VYBXAEZINBIHLJ-UHFFFAOYSA-N 2 2 300.446 3.312 20 30 DGEDLP N#CC1(c2ccc(C[NH+]3CCC([NH2+]C4CCC4)CC3)cc2)CC1 ZINC000897982704 619203113 /nfs/dbraw/zinc/20/31/13/619203113.db2.gz PFQVPAQIYFKBNJ-UHFFFAOYSA-N 2 2 309.457 3.348 20 30 DGEDLP C[C@@H]([NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1)c1cc(C#N)ccn1 ZINC000902975937 619698440 /nfs/dbraw/zinc/69/84/40/619698440.db2.gz LDCCTLUUSCKBAB-VQIMIIECSA-N 2 2 320.440 3.126 20 30 DGEDLP C[C@@H]([NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1cc(C#N)ccn1 ZINC000902975937 619698442 /nfs/dbraw/zinc/69/84/42/619698442.db2.gz LDCCTLUUSCKBAB-VQIMIIECSA-N 2 2 320.440 3.126 20 30 DGEDLP N#Cc1cc(Cl)cc(C[N@@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)c1 ZINC000903453957 619779426 /nfs/dbraw/zinc/77/94/26/619779426.db2.gz QDRCUBFDGPJRHP-DOTOQJQBSA-N 2 2 303.837 3.176 20 30 DGEDLP N#Cc1cc(Cl)cc(C[N@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)c1 ZINC000903453957 619779427 /nfs/dbraw/zinc/77/94/27/619779427.db2.gz QDRCUBFDGPJRHP-DOTOQJQBSA-N 2 2 303.837 3.176 20 30 DGEDLP C[C@@H](C#N)Oc1ccc(C[NH2+]C[C@H]2CC[N@@H+]2C2CCCC2)cc1 ZINC000858285388 621172047 /nfs/dbraw/zinc/17/20/47/621172047.db2.gz LAMKTKBVFJYHHF-MAUKXSAKSA-N 2 2 313.445 3.084 20 30 DGEDLP C[C@@H](C#N)Oc1ccc(C[NH2+]C[C@H]2CC[N@H+]2C2CCCC2)cc1 ZINC000858285388 621172048 /nfs/dbraw/zinc/17/20/48/621172048.db2.gz LAMKTKBVFJYHHF-MAUKXSAKSA-N 2 2 313.445 3.084 20 30 DGEDLP C[NH+](C)Cc1ccc(C(N)=[NH+]OCCCc2ccccc2)cc1 ZINC000755946155 621605883 /nfs/dbraw/zinc/60/58/83/621605883.db2.gz ZKXBETRSBWUEGZ-UHFFFAOYSA-N 2 2 311.429 3.018 20 30 DGEDLP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)c1cc2c(ccnc2Cl)o1 ZINC000866364161 622103608 /nfs/dbraw/zinc/10/36/08/622103608.db2.gz PRWOWDDMMMZVQQ-LBPRGKRZSA-N 2 2 305.809 3.087 20 30 DGEDLP C#CC[N@H+](C)CCC[NH2+][C@@H](C)c1cc2c(ccnc2Cl)o1 ZINC000866364161 622103610 /nfs/dbraw/zinc/10/36/10/622103610.db2.gz PRWOWDDMMMZVQQ-LBPRGKRZSA-N 2 2 305.809 3.087 20 30 DGEDLP C[C@@H]([NH2+]CC1CC[NH+](CC2CC2)CC1)c1cccc(C#N)c1O ZINC000866394375 622110538 /nfs/dbraw/zinc/11/05/38/622110538.db2.gz WWQZCRLMNCGQRJ-CQSZACIVSA-N 2 2 313.445 3.036 20 30 DGEDLP C=CC[NH+]1CCC([NH2+][C@H](C)c2cnn(-c3ccccc3)c2)CC1 ZINC000765832998 622290545 /nfs/dbraw/zinc/29/05/45/622290545.db2.gz KEWOKWIFFJFJES-MRXNPFEDSA-N 2 2 310.445 3.173 20 30 DGEDLP C#CCOc1ccccc1C[NH+](C)[C@@H]1CC[N@@H+](CC)[C@@H](C)C1 ZINC000769469715 622530635 /nfs/dbraw/zinc/53/06/35/622530635.db2.gz DCIXAISPDZDBHF-FUHWJXTLSA-N 2 2 300.446 3.003 20 30 DGEDLP C#CCOc1ccccc1C[NH+](C)[C@@H]1CC[N@H+](CC)[C@@H](C)C1 ZINC000769469715 622530636 /nfs/dbraw/zinc/53/06/36/622530636.db2.gz DCIXAISPDZDBHF-FUHWJXTLSA-N 2 2 300.446 3.003 20 30 DGEDLP C#CCOc1ccccc1C[N@@H+](C)[C@@H]1CC[NH+](CC)[C@@H](C)C1 ZINC000769469715 622530638 /nfs/dbraw/zinc/53/06/38/622530638.db2.gz DCIXAISPDZDBHF-FUHWJXTLSA-N 2 2 300.446 3.003 20 30 DGEDLP C#CCOc1ccccc1C[N@H+](C)[C@@H]1CC[NH+](CC)[C@@H](C)C1 ZINC000769469715 622530639 /nfs/dbraw/zinc/53/06/39/622530639.db2.gz DCIXAISPDZDBHF-FUHWJXTLSA-N 2 2 300.446 3.003 20 30 DGEDLP CCOc1ccc(O)c(/C=[NH+]\CC2CC[NH+](C3CC3)CC2)c1 ZINC000772152716 622857123 /nfs/dbraw/zinc/85/71/23/622857123.db2.gz DXGAUWMVLZDQJK-UYRXBGFRSA-N 2 2 302.418 3.084 20 30 DGEDLP CC[NH+]1CCN(c2ccc([NH2+]C[C@H](C)CCC#N)cc2)CC1 ZINC000876820903 623717960 /nfs/dbraw/zinc/71/79/60/623717960.db2.gz VLIPUILOUYFHIM-MRXNPFEDSA-N 2 2 300.450 3.180 20 30 DGEDLP C=CCC[C@H]([NH2+]CCCn1cc[nH+]c1)[C@H]1Cc2ccccc2O1 ZINC000883164275 625948644 /nfs/dbraw/zinc/94/86/44/625948644.db2.gz ABYUKPYEUMBPQO-PKOBYXMFSA-N 2 2 311.429 3.201 20 30 DGEDLP C=CCC[C@@H]([NH2+]CCCn1cc[nH+]c1)[C@H]1Cc2ccccc2O1 ZINC000883164273 625948975 /nfs/dbraw/zinc/94/89/75/625948975.db2.gz ABYUKPYEUMBPQO-IEBWSBKVSA-N 2 2 311.429 3.201 20 30 DGEDLP C=CCC[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)[C@H]1CCCO1 ZINC000883178797 625955887 /nfs/dbraw/zinc/95/58/87/625955887.db2.gz FIDOXOFJHPWIJC-RBUKOAKNSA-N 2 2 311.429 3.476 20 30 DGEDLP C#Cc1ccc(C[NH2+]Cc2ccccc2Cn2cc[nH+]c2)cc1 ZINC000809604823 626925068 /nfs/dbraw/zinc/92/50/68/626925068.db2.gz QASFZZZDEGKPQQ-UHFFFAOYSA-N 2 2 301.393 3.203 20 30 DGEDLP CCC[N@@H+]1CC[C@@H](C[NH2+][C@H](CC)c2cccc(C#N)c2O)C1 ZINC000924754026 627676547 /nfs/dbraw/zinc/67/65/47/627676547.db2.gz RVAVUIRYZZUGSN-WMLDXEAASA-N 2 2 301.434 3.036 20 30 DGEDLP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](CC)c2cccc(C#N)c2O)C1 ZINC000924754026 627676552 /nfs/dbraw/zinc/67/65/52/627676552.db2.gz RVAVUIRYZZUGSN-WMLDXEAASA-N 2 2 301.434 3.036 20 30 DGEDLP C#CC[N@@H+](C)CCC[NH2+][C@H](C)c1cc2cccc(OCC)c2o1 ZINC000815652684 627695608 /nfs/dbraw/zinc/69/56/08/627695608.db2.gz NBHKMNSPYRWZIE-OAHLLOKOSA-N 2 2 314.429 3.437 20 30 DGEDLP C#CC[N@H+](C)CCC[NH2+][C@H](C)c1cc2cccc(OCC)c2o1 ZINC000815652684 627695611 /nfs/dbraw/zinc/69/56/11/627695611.db2.gz NBHKMNSPYRWZIE-OAHLLOKOSA-N 2 2 314.429 3.437 20 30 DGEDLP CCC[NH+]1CCC(C[NH2+][C@H](CC)c2cccc(C#N)c2O)CC1 ZINC000924953349 627697332 /nfs/dbraw/zinc/69/73/32/627697332.db2.gz BKCWACXJLVCHEW-GOSISDBHSA-N 2 2 315.461 3.427 20 30 DGEDLP CC[C@@H]([NH2+]CCCC[N@H+](C)C1CC1)c1cccc(C#N)c1O ZINC000926558394 627914346 /nfs/dbraw/zinc/91/43/46/627914346.db2.gz HOHWGSVSWXIVNF-QGZVFWFLSA-N 2 2 301.434 3.179 20 30 DGEDLP CC[C@@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1cccc(C#N)c1O ZINC000926558394 627914347 /nfs/dbraw/zinc/91/43/47/627914347.db2.gz HOHWGSVSWXIVNF-QGZVFWFLSA-N 2 2 301.434 3.179 20 30 DGEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2cc(Cl)c(C)cc2O)CC1 ZINC000825222748 628739136 /nfs/dbraw/zinc/73/91/36/628739136.db2.gz MWJPHEMSMYBOBX-UHFFFAOYSA-N 2 2 308.853 3.484 20 30 DGEDLP C=C(C)C[NH2+][C@@H]1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)C[C@H]1C ZINC001036114878 660875794 /nfs/dbraw/zinc/87/57/94/660875794.db2.gz IPETVQNKPYIZQB-RHSMWYFYSA-N 2 2 315.461 3.023 20 30 DGEDLP COc1ccc(C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)cc1C#N ZINC000174310555 659428903 /nfs/dbraw/zinc/42/89/03/659428903.db2.gz HNGHIGMQPXTOLR-UHFFFAOYSA-N 2 2 318.380 3.042 20 30 DGEDLP C#Cc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+]2Cc2ccccc2)cc1 ZINC001620802436 1192083449 /nfs/dbraw/zinc/08/34/49/1192083449.db2.gz LLMACYVKYXOJCJ-NRFANRHFSA-N 2 2 304.437 3.422 20 30 DGEDLP C#Cc1ccc(C[NH2+]C[C@@H]2CCC[N@H+]2Cc2ccccc2)cc1 ZINC001620802436 1192083451 /nfs/dbraw/zinc/08/34/51/1192083451.db2.gz LLMACYVKYXOJCJ-NRFANRHFSA-N 2 2 304.437 3.422 20 30 DGEDLP Cc1cc(C#N)cc(C)c1C[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC001333158935 1178566162 /nfs/dbraw/zinc/56/61/62/1178566162.db2.gz XTWKKONTAMXOAS-QGZVFWFLSA-N 2 2 322.456 3.363 20 30 DGEDLP Cc1cc(C#N)cc(C)c1C[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC001333158935 1178566167 /nfs/dbraw/zinc/56/61/67/1178566167.db2.gz XTWKKONTAMXOAS-QGZVFWFLSA-N 2 2 322.456 3.363 20 30 DGEDLP Cc1cccc(NC[C@@H]2CCC[N@@H+]2Cc2csc(C#N)c2)[nH+]1 ZINC001335423167 1178908122 /nfs/dbraw/zinc/90/81/22/1178908122.db2.gz YSEQAAOPWNQOBA-HNNXBMFYSA-N 2 2 312.442 3.400 20 30 DGEDLP Cc1cccc(NC[C@@H]2CCC[N@H+]2Cc2csc(C#N)c2)[nH+]1 ZINC001335423167 1178908126 /nfs/dbraw/zinc/90/81/26/1178908126.db2.gz YSEQAAOPWNQOBA-HNNXBMFYSA-N 2 2 312.442 3.400 20 30 DGEDLP CC[C@H]([NH2+]C[C@@H]1CCC[N@H+](CC)C1)c1cccc(C#N)c1O ZINC001354203694 1180743496 /nfs/dbraw/zinc/74/34/96/1180743496.db2.gz DOPJGLNCXFKJEH-YOEHRIQHSA-N 2 2 301.434 3.036 20 30 DGEDLP CC[C@H]([NH2+]C[C@@H]1CCC[N@@H+](CC)C1)c1cccc(C#N)c1O ZINC001354203694 1180743502 /nfs/dbraw/zinc/74/35/02/1180743502.db2.gz DOPJGLNCXFKJEH-YOEHRIQHSA-N 2 2 301.434 3.036 20 30 DGEDLP C=CCC[NH2+][C@H]1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)C[C@@H]1C ZINC001496350410 1185172238 /nfs/dbraw/zinc/17/22/38/1185172238.db2.gz IWUXZDWTNTYWQN-YOEHRIQHSA-N 2 2 315.461 3.023 20 30 DGEDLP C=CCC[C@@H](C)[N@H+](C)CCN(C)C(=O)c1c(C)cc(C)[nH+]c1C ZINC001496749726 1185242153 /nfs/dbraw/zinc/24/21/53/1185242153.db2.gz RTHUWGWQEFXTFF-MRXNPFEDSA-N 2 2 317.477 3.365 20 30 DGEDLP C=CCC[C@@H](C)[N@@H+](C)CCN(C)C(=O)c1c(C)cc(C)[nH+]c1C ZINC001496749726 1185242155 /nfs/dbraw/zinc/24/21/55/1185242155.db2.gz RTHUWGWQEFXTFF-MRXNPFEDSA-N 2 2 317.477 3.365 20 30 DGEDLP C=CCC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001501058988 1185863315 /nfs/dbraw/zinc/86/33/15/1185863315.db2.gz UQHBUHJGPNBUOV-DOTOQJQBSA-N 2 2 315.461 3.023 20 30 DGEDLP C=C(C)C[NH2+]C[C@@H](CCCC)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001506533101 1186240952 /nfs/dbraw/zinc/24/09/52/1186240952.db2.gz AQSOMUFXHXGMMB-OAHLLOKOSA-N 2 2 314.433 3.017 20 30 DGEDLP C=CCC[NH2+]CCC[C@@H](C)NC(=O)c1c(C)cc(C)[nH+]c1C ZINC001506930673 1186315651 /nfs/dbraw/zinc/31/56/51/1186315651.db2.gz LELUDXIURJEAKV-CQSZACIVSA-N 2 2 303.450 3.071 20 30 DGEDLP CC1(C)C[N@H+](Cc2ccc(-c3ccccc3C#N)cc2)C[C@@H]1[NH3+] ZINC001576458021 1191813802 /nfs/dbraw/zinc/81/38/02/1191813802.db2.gz UVZLOSVDFYQXLB-IBGZPJMESA-N 2 2 305.425 3.394 20 30 DGEDLP CC1(C)C[N@@H+](Cc2ccc(-c3ccccc3C#N)cc2)C[C@@H]1[NH3+] ZINC001576458021 1191813812 /nfs/dbraw/zinc/81/38/12/1191813812.db2.gz UVZLOSVDFYQXLB-IBGZPJMESA-N 2 2 305.425 3.394 20 30 DGEDLP C=C(C)C[NH2+]C[C@@]1(C)CCN(C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001671764265 1197567904 /nfs/dbraw/zinc/56/79/04/1197567904.db2.gz YRNSKTWJVFVEQZ-LJQANCHMSA-N 2 2 315.461 3.025 20 30 DGEDLP Cc1ccc(NC(=[NH2+])NC[C@@H](c2ccc(F)cc2)[NH+](C)C)cc1 ZINC000303881036 1199600923 /nfs/dbraw/zinc/60/09/23/1199600923.db2.gz HHNYLAKENZNOOK-KRWDZBQOSA-N 2 2 314.408 3.164 20 30 DGEDLP C=CCC[N@H+](CC)CCCNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001689945046 1200340215 /nfs/dbraw/zinc/34/02/15/1200340215.db2.gz BEVDLUYWDAMTOK-UHFFFAOYSA-N 2 2 303.450 3.025 20 30 DGEDLP C=CCC[N@@H+](CC)CCCNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001689945046 1200340227 /nfs/dbraw/zinc/34/02/27/1200340227.db2.gz BEVDLUYWDAMTOK-UHFFFAOYSA-N 2 2 303.450 3.025 20 30 DGEDLP Cc1ccccc1NC(=[NH2+])NCc1ccccc1-n1cc[nH+]c1 ZINC000170908845 1203839331 /nfs/dbraw/zinc/83/93/31/1203839331.db2.gz NGTHEJKSCDYABZ-UHFFFAOYSA-N 2 2 305.385 3.108 20 30 DGEDLP Cc1ccccc1NC(=[NH2+])NC[C@H](c1ccc(F)cc1)[NH+](C)C ZINC000170913284 1203839594 /nfs/dbraw/zinc/83/95/94/1203839594.db2.gz URSPILRYGKLCPY-QGZVFWFLSA-N 2 2 314.408 3.164 20 30 DGEDLP C=CCC[C@@H](C)[NH2+][C@H](CC)CNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001732213102 1204752058 /nfs/dbraw/zinc/75/20/58/1204752058.db2.gz YJHKOHPICJRZTR-RHSMWYFYSA-N 2 2 317.477 3.460 20 30 DGEDLP C=CCC[C@H](C)[NH2+][C@@H](CC)CNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001732213106 1204752494 /nfs/dbraw/zinc/75/24/94/1204752494.db2.gz YJHKOHPICJRZTR-YOEHRIQHSA-N 2 2 317.477 3.460 20 30 DGEDLP C=C(C)C[NH2+]C[C@H](CC(C)C)NC(=O)c1c(C)cc(C)[nH+]c1C ZINC001732466273 1204857326 /nfs/dbraw/zinc/85/73/26/1204857326.db2.gz KTPAAKZQVXKVCS-KRWDZBQOSA-N 2 2 317.477 3.317 20 30 DGEDLP C=CCC[C@@H](C)[NH2+][C@@H](C)CNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001266956316 1082373514 /nfs/dbraw/zinc/37/35/14/1082373514.db2.gz OYGVOMBFUDCLPK-HIFRSBDPSA-N 2 2 303.450 3.069 20 30 DGEDLP C=C(C)CC[NH2+]CCC[C@H](C)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001485726543 1090251430 /nfs/dbraw/zinc/25/14/30/1090251430.db2.gz DZXBPSNTSACAHZ-AWEZNQCLSA-N 2 2 314.433 3.017 20 30 DGEDLP CN(c1ccc(C#N)cc1)c1ccc(C[NH+]2CC(C)(C[NH3+])C2)cc1 ZINC001206718514 1090659880 /nfs/dbraw/zinc/65/98/80/1090659880.db2.gz UHBKPEGCUZJRDQ-UHFFFAOYSA-N 2 2 320.440 3.107 20 30 DGEDLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)c1cc(C#N)ccc1C ZINC001293569108 1091258679 /nfs/dbraw/zinc/25/86/79/1091258679.db2.gz WWZCEHFYQQXJTM-UHFFFAOYSA-N 2 2 317.352 3.008 20 30 DGEDLP N#Cc1cccc2c(C[NH+]3CCC([NH+]4CCCCC4)CC3)c[nH]c21 ZINC001139701836 1091646738 /nfs/dbraw/zinc/64/67/38/1091646738.db2.gz PYVQXSFCEJOKJM-UHFFFAOYSA-N 2 2 322.456 3.490 20 30 DGEDLP C=CCCCCC[NH+]1CCCn2c(C[N@@H+](C)C(C)C)nnc2C1 ZINC001209427089 1092771718 /nfs/dbraw/zinc/77/17/18/1092771718.db2.gz FSXGQDUVXMQDIS-UHFFFAOYSA-N 2 2 319.497 3.070 20 30 DGEDLP C=CCCCCC[NH+]1CCCn2c(C[N@H+](C)C(C)C)nnc2C1 ZINC001209427089 1092771724 /nfs/dbraw/zinc/77/17/24/1092771724.db2.gz FSXGQDUVXMQDIS-UHFFFAOYSA-N 2 2 319.497 3.070 20 30 DGEDLP C=CCCCCC[N@@H+]1CCCn2c(C[NH+](C)C(C)C)nnc2C1 ZINC001209427089 1092771731 /nfs/dbraw/zinc/77/17/31/1092771731.db2.gz FSXGQDUVXMQDIS-UHFFFAOYSA-N 2 2 319.497 3.070 20 30 DGEDLP C=CCCCCC[N@H+]1CCCn2c(C[NH+](C)C(C)C)nnc2C1 ZINC001209427089 1092771740 /nfs/dbraw/zinc/77/17/40/1092771740.db2.gz FSXGQDUVXMQDIS-UHFFFAOYSA-N 2 2 319.497 3.070 20 30 DGEDLP CCCCCCC[NH2+][C@H](C)C[C@H](C)NC(=O)Cc1[nH]c[nH+]c1C ZINC001136036364 1094808423 /nfs/dbraw/zinc/80/84/23/1094808423.db2.gz VZRSTELDLYBLJW-CABCVRRESA-N 2 2 322.497 3.104 20 30 DGEDLP N#Cc1ccc2c(C[N@@H+]3CCC[C@]4(CCCC[NH2+]4)C3)c[nH]c2c1 ZINC001222390620 1095587121 /nfs/dbraw/zinc/58/71/21/1095587121.db2.gz SGMHOFKGQUGPLN-LJQANCHMSA-N 2 2 308.429 3.148 20 30 DGEDLP N#Cc1ccc2c(C[N@H+]3CCC[C@]4(CCCC[NH2+]4)C3)c[nH]c2c1 ZINC001222390620 1095587130 /nfs/dbraw/zinc/58/71/30/1095587130.db2.gz SGMHOFKGQUGPLN-LJQANCHMSA-N 2 2 308.429 3.148 20 30 DGEDLP Cc1c[nH+]ccc1O[C@@H]1CC[N@@H+]([C@H](C)Cc2cccc(C#N)c2)C1 ZINC001171231407 1095865178 /nfs/dbraw/zinc/86/51/78/1095865178.db2.gz JDZIJDNYGQSBCI-VQIMIIECSA-N 2 2 321.424 3.346 20 30 DGEDLP Cc1c[nH+]ccc1O[C@@H]1CC[N@H+]([C@H](C)Cc2cccc(C#N)c2)C1 ZINC001171231407 1095865194 /nfs/dbraw/zinc/86/51/94/1095865194.db2.gz JDZIJDNYGQSBCI-VQIMIIECSA-N 2 2 321.424 3.346 20 30 DGEDLP C=C(C)CC[NH2+]CCCC[C@H](C)NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001175502446 1098073677 /nfs/dbraw/zinc/07/36/77/1098073677.db2.gz JDSYZLCCCUNIHG-DLBZAZTESA-N 2 2 320.481 3.065 20 30 DGEDLP C=CCC[C@H](C)[NH2+][C@H](C)CN(C)C(=O)c1c(C)cc(C)[nH+]c1C ZINC001277893699 1098667445 /nfs/dbraw/zinc/66/74/45/1098667445.db2.gz PQLIABNRXCDRIK-GOEBONIOSA-N 2 2 317.477 3.412 20 30 DGEDLP CC[N@H+](Cc1ccc(-c2cc(C#N)ccn2)cc1)[C@@H]1CCC[NH2+]C1 ZINC001236006374 1099326734 /nfs/dbraw/zinc/32/67/34/1099326734.db2.gz HMJUUANELYHCCB-LJQANCHMSA-N 2 2 320.440 3.194 20 30 DGEDLP CC[N@@H+](Cc1ccc(-c2cc(C#N)ccn2)cc1)[C@@H]1CCC[NH2+]C1 ZINC001236006374 1099326748 /nfs/dbraw/zinc/32/67/48/1099326748.db2.gz HMJUUANELYHCCB-LJQANCHMSA-N 2 2 320.440 3.194 20 30 DGEDLP C[N@H+](Cc1ccc(Br)c(C#N)c1)[C@H]1CCCC[C@H]1[NH3+] ZINC001236213037 1099467577 /nfs/dbraw/zinc/46/75/77/1099467577.db2.gz AUTWBWYKYPNUQD-CABCVRRESA-N 2 2 322.250 3.022 20 30 DGEDLP C[N@@H+](Cc1ccc(Br)c(C#N)c1)[C@H]1CCCC[C@H]1[NH3+] ZINC001236213037 1099467585 /nfs/dbraw/zinc/46/75/85/1099467585.db2.gz AUTWBWYKYPNUQD-CABCVRRESA-N 2 2 322.250 3.022 20 30 DGEDLP CCOC(=[NH2+])c1cccc(-c2cc(C#N)cc(C3C[NH2+]C3)c2)c1 ZINC001240354981 1100956265 /nfs/dbraw/zinc/95/62/65/1100956265.db2.gz AAKGRNFQEHSYDI-UHFFFAOYSA-N 2 2 305.381 3.274 20 30 DGEDLP N#Cc1cc(-c2ccc(C[N@H+]3CC[C@@H]([NH3+])C3)cc2)ccc1Cl ZINC001240403614 1100980879 /nfs/dbraw/zinc/98/08/79/1100980879.db2.gz QAUSTVPZHNZBPE-QGZVFWFLSA-N 2 2 311.816 3.412 20 30 DGEDLP N#Cc1cc(-c2ccc(C[N@@H+]3CC[C@@H]([NH3+])C3)cc2)ccc1Cl ZINC001240403614 1100980883 /nfs/dbraw/zinc/98/08/83/1100980883.db2.gz QAUSTVPZHNZBPE-QGZVFWFLSA-N 2 2 311.816 3.412 20 30 DGEDLP CCCCCCC[N@@H+]1CCn2cc(C[NH+]3CCCC3)nc2C1 ZINC001201762915 1102722331 /nfs/dbraw/zinc/72/23/31/1102722331.db2.gz ZIOPPCHJQJFIAE-UHFFFAOYSA-N 2 2 304.482 3.265 20 30 DGEDLP CCCCCCC[N@H+]1CCn2cc(C[NH+]3CCCC3)nc2C1 ZINC001201762915 1102722345 /nfs/dbraw/zinc/72/23/45/1102722345.db2.gz ZIOPPCHJQJFIAE-UHFFFAOYSA-N 2 2 304.482 3.265 20 30 DGEDLP N#Cc1c(Cl)cccc1-c1cccc(C[N@H+]2CC[C@H]([NH3+])C2)c1 ZINC001244733922 1103657647 /nfs/dbraw/zinc/65/76/47/1103657647.db2.gz ASUSXBFGJDOSIO-HNNXBMFYSA-N 2 2 311.816 3.412 20 30 DGEDLP N#Cc1c(Cl)cccc1-c1cccc(C[N@@H+]2CC[C@H]([NH3+])C2)c1 ZINC001244733922 1103657657 /nfs/dbraw/zinc/65/76/57/1103657657.db2.gz ASUSXBFGJDOSIO-HNNXBMFYSA-N 2 2 311.816 3.412 20 30 DGEDLP N#Cc1ccc(CCC[NH+]2CC3(C2)CC[N@@H+](C2CCCC2)C3)cc1 ZINC001274892735 1104535635 /nfs/dbraw/zinc/53/56/35/1104535635.db2.gz YSKUQEGQQJZRNW-UHFFFAOYSA-N 2 2 323.484 3.441 20 30 DGEDLP N#Cc1ccc(CCC[NH+]2CC3(C2)CC[N@H+](C2CCCC2)C3)cc1 ZINC001274892735 1104535641 /nfs/dbraw/zinc/53/56/41/1104535641.db2.gz YSKUQEGQQJZRNW-UHFFFAOYSA-N 2 2 323.484 3.441 20 30 DGEDLP CCCCCCCCC[NH+]1CC2(CN(CCn3cc[nH+]c3)C2)C1 ZINC001275131433 1104645472 /nfs/dbraw/zinc/64/54/72/1104645472.db2.gz DPRJULZGGWAPFO-UHFFFAOYSA-N 2 2 318.509 3.251 20 30 DGEDLP C=CCC[C@@H](C)[N@@H+](C)C[C@H](C)NC(=O)c1c(C)cc(C)[nH+]c1C ZINC001275607385 1104831102 /nfs/dbraw/zinc/83/11/02/1104831102.db2.gz PISHFFLEQHGZBX-JKSUJKDBSA-N 2 2 317.477 3.412 20 30 DGEDLP C=CCC[C@@H](C)[N@H+](C)C[C@H](C)NC(=O)c1c(C)cc(C)[nH+]c1C ZINC001275607385 1104831106 /nfs/dbraw/zinc/83/11/06/1104831106.db2.gz PISHFFLEQHGZBX-JKSUJKDBSA-N 2 2 317.477 3.412 20 30 DGEDLP C=CCC[C@@H](O)C[NH2+]C1CC[NH+](Cc2cc(F)ccc2C)CC1 ZINC001252618699 1105805483 /nfs/dbraw/zinc/80/54/83/1105805483.db2.gz DAYNDMWTKXYGSJ-LJQANCHMSA-N 2 2 320.452 3.015 20 30 DGEDLP C=CCC[C@H](O)C[NH2+]C1CC[NH+](Cc2ccc(F)cc2C)CC1 ZINC001252618855 1105805742 /nfs/dbraw/zinc/80/57/42/1105805742.db2.gz HIEBRTBLXQJVMZ-IBGZPJMESA-N 2 2 320.452 3.015 20 30 DGEDLP C=CCCCCCC[C@H](O)C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC001253240636 1105908131 /nfs/dbraw/zinc/90/81/31/1105908131.db2.gz NXDSKCYUNISEAF-SJORKVTESA-N 2 2 305.466 3.477 20 30 DGEDLP C=CCCCCCC[C@H](O)C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC001253240636 1105908136 /nfs/dbraw/zinc/90/81/36/1105908136.db2.gz NXDSKCYUNISEAF-SJORKVTESA-N 2 2 305.466 3.477 20 30 DGEDLP Cc1c(F)cccc1C[NH+]1CCC([NH2+][C@@H]2CC[C@@H](C#N)C2)CC1 ZINC001254649043 1106121688 /nfs/dbraw/zinc/12/16/88/1106121688.db2.gz LXRSXGVDDCZHFX-CRAIPNDOSA-N 2 2 315.436 3.380 20 30 DGEDLP Cc1cc([NH2+]CC(C)(C)CCC#N)ccc1N1CC[NH+](C)CC1 ZINC001319973787 1106749295 /nfs/dbraw/zinc/74/92/95/1106749295.db2.gz VRHWGWVKAGJCQQ-UHFFFAOYSA-N 2 2 314.477 3.489 20 30 DGEDLP C=CCC[C@@H](C)[NH+]1CCn2c(C[N@@H+](C)C(C)C)cnc2[C@H]1C ZINC001258728420 1106933717 /nfs/dbraw/zinc/93/37/17/1106933717.db2.gz OTFAKRFWFHWGJE-HZPDHXFCSA-N 2 2 304.482 3.455 20 30 DGEDLP C=CCC[C@@H](C)[NH+]1CCn2c(C[N@H+](C)C(C)C)cnc2[C@H]1C ZINC001258728420 1106933723 /nfs/dbraw/zinc/93/37/23/1106933723.db2.gz OTFAKRFWFHWGJE-HZPDHXFCSA-N 2 2 304.482 3.455 20 30 DGEDLP C=CCC[C@@H](C)[N@H+]1CCn2c(C[NH+](C)C(C)C)cnc2[C@H]1C ZINC001258728420 1106933729 /nfs/dbraw/zinc/93/37/29/1106933729.db2.gz OTFAKRFWFHWGJE-HZPDHXFCSA-N 2 2 304.482 3.455 20 30 DGEDLP C=CCC[C@@H](C)[N@@H+]1CCn2c(C[NH+](C)C(C)C)cnc2[C@H]1C ZINC001258728420 1106933738 /nfs/dbraw/zinc/93/37/38/1106933738.db2.gz OTFAKRFWFHWGJE-HZPDHXFCSA-N 2 2 304.482 3.455 20 30 DGEDLP Cc1cc([NH2+][C@H](C)CC(C)(C)C#N)ccc1N1CC[NH+](C)CC1 ZINC001262353906 1107684928 /nfs/dbraw/zinc/68/49/28/1107684928.db2.gz QKVZIZKZZDUFOT-MRXNPFEDSA-N 2 2 314.477 3.487 20 30 DGEDLP C=C(C)CC[NH2+][C@H]1C[C@@H](CNC(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001263838967 1108246114 /nfs/dbraw/zinc/24/61/14/1108246114.db2.gz JGNGTCPEABJJPB-CALCHBBNSA-N 2 2 315.461 3.071 20 30 DGEDLP C=C(C)C[NH2+]C[C@H]1CCCN(C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001265617848 1108934214 /nfs/dbraw/zinc/93/42/14/1108934214.db2.gz RHVVBOBALQHRAC-QGZVFWFLSA-N 2 2 315.461 3.025 20 30 DGEDLP C=C(C)CC[N@H+](C)CCCNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001316839060 1111178041 /nfs/dbraw/zinc/17/80/41/1111178041.db2.gz AQKQLHBIRWIGKZ-UHFFFAOYSA-N 2 2 303.450 3.025 20 30 DGEDLP C=C(C)CC[N@@H+](C)CCCNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001316839060 1111178045 /nfs/dbraw/zinc/17/80/45/1111178045.db2.gz AQKQLHBIRWIGKZ-UHFFFAOYSA-N 2 2 303.450 3.025 20 30 DGEDLP COc1cc(C[NH+]2CCC([NH+]3CCCCC3)CC2)ccc1C#N ZINC000323809952 231220036 /nfs/dbraw/zinc/22/00/36/231220036.db2.gz HXDCKUNEIOEOIM-UHFFFAOYSA-N 2 2 313.445 3.017 20 30 DGEDLP C[C@H]([NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1cccnc1 ZINC000181411252 199292524 /nfs/dbraw/zinc/29/25/24/199292524.db2.gz SIQUWVDWKWCUTP-INIZCTEOSA-N 2 2 320.440 3.268 20 30 DGEDLP C=CC[NH+]1CCC([NH2+][C@H](C)c2ccc(OC)c(COC)c2)CC1 ZINC000177910527 186202771 /nfs/dbraw/zinc/20/27/71/186202771.db2.gz GEENRHBINKFOIS-OAHLLOKOSA-N 2 2 318.461 3.143 20 30 DGEDLP N#Cc1ccc2c(c1)[C@@H]([NH2+]C[C@H]1[NH2+]CCc3ccccc31)CC2 ZINC000423416739 283196997 /nfs/dbraw/zinc/19/69/97/283196997.db2.gz FZJODGIDONCOCK-VQTJNVASSA-N 2 2 303.409 3.022 20 30 DGEDLP COc1ccc(C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)cc1C#N ZINC000135092410 432098680 /nfs/dbraw/zinc/09/86/80/432098680.db2.gz JFIBMPHKHOBJTR-SFHVURJKSA-N 2 2 313.445 3.017 20 30 DGEDLP COc1ccc(C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)cc1C#N ZINC000135092410 432098686 /nfs/dbraw/zinc/09/86/86/432098686.db2.gz JFIBMPHKHOBJTR-SFHVURJKSA-N 2 2 313.445 3.017 20 30 DGEDLP N#Cc1ccc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c(F)c1 ZINC000246552276 432143680 /nfs/dbraw/zinc/14/36/80/432143680.db2.gz KKVVMJKTTJOJOS-QFBILLFUSA-N 2 2 313.420 3.146 20 30 DGEDLP N#Cc1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c(F)c1 ZINC000246552276 432143681 /nfs/dbraw/zinc/14/36/81/432143681.db2.gz KKVVMJKTTJOJOS-QFBILLFUSA-N 2 2 313.420 3.146 20 30 DGEDLP N#Cc1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c(F)c1 ZINC000246552276 432143682 /nfs/dbraw/zinc/14/36/82/432143682.db2.gz KKVVMJKTTJOJOS-QFBILLFUSA-N 2 2 313.420 3.146 20 30 DGEDLP COc1ccc([C@H](C[NH2+][C@H]2CC[C@H](C#N)C2)[NH+]2CCCC2)cc1 ZINC000442633408 533184075 /nfs/dbraw/zinc/18/40/75/533184075.db2.gz IWDPRJNQXJFKEJ-IEZWGBDMSA-N 2 2 313.445 3.114 20 30 DGEDLP C[C@@]1([NH2+]Cc2cccc(C#N)c2)CC[N@H+](Cc2ccccc2)C1 ZINC000406068794 400300551 /nfs/dbraw/zinc/30/05/51/400300551.db2.gz MQLCMICPGITNMN-HXUWFJFHSA-N 2 2 305.425 3.312 20 30 DGEDLP C[C@@]1([NH2+]Cc2cccc(C#N)c2)CC[N@@H+](Cc2ccccc2)C1 ZINC000406068794 400300557 /nfs/dbraw/zinc/30/05/57/400300557.db2.gz MQLCMICPGITNMN-HXUWFJFHSA-N 2 2 305.425 3.312 20 30 DGEDLP N#CCC[C@@H](C#N)C[NH2+]C[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000581044173 400350101 /nfs/dbraw/zinc/35/01/01/400350101.db2.gz UQELNDWFSMTYLQ-PMACEKPBSA-N 2 2 324.472 3.322 20 30 DGEDLP N#CCC[C@@H](C#N)C[NH2+]C[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000581044173 400350104 /nfs/dbraw/zinc/35/01/04/400350104.db2.gz UQELNDWFSMTYLQ-PMACEKPBSA-N 2 2 324.472 3.322 20 30 DGEDLP C=CC[N@H+](CCC#N)Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000590050694 400351183 /nfs/dbraw/zinc/35/11/83/400351183.db2.gz GTLGQPKZFLBRSG-UHFFFAOYSA-N 2 2 313.445 3.063 20 30 DGEDLP C=CC[N@@H+](CCC#N)Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000590050694 400351187 /nfs/dbraw/zinc/35/11/87/400351187.db2.gz GTLGQPKZFLBRSG-UHFFFAOYSA-N 2 2 313.445 3.063 20 30 DGEDLP Cc1cc(N2CCC3(CCC([NH+](C)C)CC3)CC2)c(C#N)c[nH+]1 ZINC000596254302 400362345 /nfs/dbraw/zinc/36/23/45/400362345.db2.gz ALKHOTODZQWZOE-UHFFFAOYSA-N 2 2 312.461 3.353 20 30 DGEDLP C[C@H](CCC#N)C[NH2+]CC1([NH+]2CCSCC2)CCCCC1 ZINC000602546474 400493196 /nfs/dbraw/zinc/49/31/96/400493196.db2.gz TYWSEFMQJIBQMF-MRXNPFEDSA-N 2 2 309.523 3.268 20 30 DGEDLP N#Cc1cccc(C[NH+]2CCC([NH2+][C@@H]3CCC[C@@H]4C[C@@H]43)CC2)c1 ZINC000597159136 400574119 /nfs/dbraw/zinc/57/41/19/400574119.db2.gz YUOUGFJVIOOEGC-YZGWKJHDSA-N 2 2 309.457 3.301 20 30 DGEDLP C=CC[C@@H]1CCCC[C@@H]1[NH2+]C1CC[NH+](CCCC(=O)OC)CC1 ZINC000597174008 400576755 /nfs/dbraw/zinc/57/67/55/400576755.db2.gz TYBPWUBKDMTVKX-AEFFLSMTSA-N 2 2 322.493 3.129 20 30 DGEDLP C[C@@H](CCC#N)C[N@H+](C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000602684987 400538074 /nfs/dbraw/zinc/53/80/74/400538074.db2.gz CTBBHIKGBYSNAP-ZDUSSCGKSA-N 2 2 305.388 3.275 20 30 DGEDLP C[C@@H](CCC#N)C[N@@H+](C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000602684987 400538078 /nfs/dbraw/zinc/53/80/78/400538078.db2.gz CTBBHIKGBYSNAP-ZDUSSCGKSA-N 2 2 305.388 3.275 20 30 DGEDLP C[C@@H]([NH2+]C1CC[NH+](Cc2cccc(C#N)c2)CC1)c1cccnc1 ZINC000593183681 400784902 /nfs/dbraw/zinc/78/49/02/400784902.db2.gz GOOCQRRCAOAKSI-MRXNPFEDSA-N 2 2 320.440 3.268 20 30 DGEDLP N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+][C@H]1CC[N@H+](CC2CC2)C1 ZINC000619508248 400857911 /nfs/dbraw/zinc/85/79/11/400857911.db2.gz CUGPNHFOHZHINX-ICSRJNTNSA-N 2 2 309.457 3.400 20 30 DGEDLP N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+][C@H]1CC[N@@H+](CC2CC2)C1 ZINC000619508248 400857916 /nfs/dbraw/zinc/85/79/16/400857916.db2.gz CUGPNHFOHZHINX-ICSRJNTNSA-N 2 2 309.457 3.400 20 30 DGEDLP N#Cc1cccc(C[NH+]2CCC([NH2+][C@@H]3CCC[C@H](C#N)C3)CC2)c1 ZINC000593701977 400896587 /nfs/dbraw/zinc/89/65/87/400896587.db2.gz JHAMEMWGTJDCJI-FXAWDEMLSA-N 2 2 322.456 3.195 20 30 DGEDLP CC(C)(F)CC[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000594972812 401216301 /nfs/dbraw/zinc/21/63/01/401216301.db2.gz KZOZSZBPGQYETI-UHFFFAOYSA-N 2 2 303.425 3.250 20 30 DGEDLP C=CC[NH+]1CCC([NH2+]Cc2cc(OC)c(OC)cc2Cl)CC1 ZINC000631063551 401381941 /nfs/dbraw/zinc/38/19/41/401381941.db2.gz BIEMDAHATGBGCO-UHFFFAOYSA-N 2 2 324.852 3.097 20 30 DGEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2cnc([C@@H]3CCCO3)s2)CC1 ZINC000270227001 432230261 /nfs/dbraw/zinc/23/02/61/432230261.db2.gz OAHIXFVXBVFZLS-INIZCTEOSA-N 2 2 321.490 3.125 20 30 DGEDLP N#Cc1ccc(C[NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)c(F)c1 ZINC000357309951 268074439 /nfs/dbraw/zinc/07/44/39/268074439.db2.gz QQOIQCQBHBQIGJ-UHFFFAOYSA-N 2 2 324.334 3.312 20 30 DGEDLP Cc1ccc(NC2CC[NH+](Cc3ccc(C#N)cc3)CC2)c[nH+]1 ZINC000182911314 432241774 /nfs/dbraw/zinc/24/17/74/432241774.db2.gz SMWGSNJJVCKCER-UHFFFAOYSA-N 2 2 306.413 3.338 20 30 DGEDLP C=CC[NH+]1CCC([NH2+][C@H](C)c2cnn(C(C)(C)C)c2C)CC1 ZINC000191273243 432243889 /nfs/dbraw/zinc/24/38/89/432243889.db2.gz FFKCGSUNPOKQBE-CQSZACIVSA-N 2 2 304.482 3.248 20 30 DGEDLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+]Cc1cccc(C#N)c1 ZINC000151492118 432251097 /nfs/dbraw/zinc/25/10/97/432251097.db2.gz VGGPPILMPCKLKS-UZLBHIALSA-N 2 2 305.425 3.168 20 30 DGEDLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+]Cc1cccc(C#N)c1 ZINC000151492118 432251099 /nfs/dbraw/zinc/25/10/99/432251099.db2.gz VGGPPILMPCKLKS-UZLBHIALSA-N 2 2 305.425 3.168 20 30 DGEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)c2nc3c(s2)CCCC3)CC1 ZINC000093405875 431914724 /nfs/dbraw/zinc/91/47/24/431914724.db2.gz VNVRFMGERNBHRQ-ZDUSSCGKSA-N 2 2 305.491 3.323 20 30 DGEDLP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1ccc(C#N)cc1F ZINC000191512527 432272772 /nfs/dbraw/zinc/27/27/72/432272772.db2.gz CXNCMJLPOYSMDK-UHFFFAOYSA-N 2 2 314.408 3.368 20 30 DGEDLP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1ccc(C#N)cc1F ZINC000191512527 432272776 /nfs/dbraw/zinc/27/27/76/432272776.db2.gz CXNCMJLPOYSMDK-UHFFFAOYSA-N 2 2 314.408 3.368 20 30 DGEDLP CN(CCC#N)c1ccc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)cc1 ZINC000271210840 432355326 /nfs/dbraw/zinc/35/53/26/432355326.db2.gz VHRKVDJWUQSPGT-UHFFFAOYSA-N 2 2 323.444 3.139 20 30 DGEDLP C#CCOc1ccccc1C[N@@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000271025888 432315665 /nfs/dbraw/zinc/31/56/65/432315665.db2.gz DLBSVYZBSFXNGR-UHFFFAOYSA-N 2 2 300.446 3.003 20 30 DGEDLP C#CCOc1ccccc1C[N@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000271025888 432315669 /nfs/dbraw/zinc/31/56/69/432315669.db2.gz DLBSVYZBSFXNGR-UHFFFAOYSA-N 2 2 300.446 3.003 20 30 DGEDLP CCOc1ccc(C[N@@H+](CCC#N)CCCn2cc[nH+]c2)cc1 ZINC000272663712 432532641 /nfs/dbraw/zinc/53/26/41/432532641.db2.gz PCDLVXJPUCWCKB-UHFFFAOYSA-N 2 2 312.417 3.088 20 30 DGEDLP CCOc1ccc(C[N@H+](CCC#N)CCCn2cc[nH+]c2)cc1 ZINC000272663712 432532645 /nfs/dbraw/zinc/53/26/45/432532645.db2.gz PCDLVXJPUCWCKB-UHFFFAOYSA-N 2 2 312.417 3.088 20 30 DGEDLP CCC[N@H+](C)C[C@@H]1CC[NH+](CC#Cc2ccc(Cl)cc2)C1 ZINC000177354526 432614900 /nfs/dbraw/zinc/61/49/00/432614900.db2.gz XUEKNKHUURUKTA-KRWDZBQOSA-N 2 2 304.865 3.355 20 30 DGEDLP CCC[N@@H+](C)C[C@@H]1CC[NH+](CC#Cc2ccc(Cl)cc2)C1 ZINC000177354526 432614903 /nfs/dbraw/zinc/61/49/03/432614903.db2.gz XUEKNKHUURUKTA-KRWDZBQOSA-N 2 2 304.865 3.355 20 30 DGEDLP CCC[NH+](C)C[C@@H]1CC[N@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC000177354526 432614906 /nfs/dbraw/zinc/61/49/06/432614906.db2.gz XUEKNKHUURUKTA-KRWDZBQOSA-N 2 2 304.865 3.355 20 30 DGEDLP CCC[NH+](C)C[C@@H]1CC[N@@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC000177354526 432614908 /nfs/dbraw/zinc/61/49/08/432614908.db2.gz XUEKNKHUURUKTA-KRWDZBQOSA-N 2 2 304.865 3.355 20 30 DGEDLP N#Cc1ccc(C[NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)s1 ZINC000176946351 432568931 /nfs/dbraw/zinc/56/89/31/432568931.db2.gz DZTQGCGTAGDNBO-UHFFFAOYSA-N 2 2 308.410 3.154 20 30 DGEDLP Cc1ccc(NC(=[NH2+])NC[C@H](c2ccsc2)[NH+](C)C)cc1C ZINC000264131842 432618882 /nfs/dbraw/zinc/61/88/82/432618882.db2.gz YDFIFDXAKGMGQQ-MRXNPFEDSA-N 2 2 316.474 3.394 20 30 DGEDLP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)[NH2+]CCCSCC#N ZINC000274843017 432714966 /nfs/dbraw/zinc/71/49/66/432714966.db2.gz MZNPVOGHMPNKJQ-SFHVURJKSA-N 2 2 319.518 3.379 20 30 DGEDLP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)[NH2+]CCCSCC#N ZINC000274843017 432714968 /nfs/dbraw/zinc/71/49/68/432714968.db2.gz MZNPVOGHMPNKJQ-SFHVURJKSA-N 2 2 319.518 3.379 20 30 DGEDLP C=CC[NH+]1CCC([NH2+][C@H]2CCCOc3cc(C)ccc32)CC1 ZINC000177906290 432671105 /nfs/dbraw/zinc/67/11/05/432671105.db2.gz NLDHROFCGOZGPW-SFHVURJKSA-N 2 2 300.446 3.449 20 30 DGEDLP C=CC[NH+]1CCC([NH2+][C@H]2CCc3c2ccc(OC)c3F)CC1 ZINC000289196163 432931818 /nfs/dbraw/zinc/93/18/18/432931818.db2.gz JGVDIMSKYDZKQG-INIZCTEOSA-N 2 2 304.409 3.062 20 30 DGEDLP COCC[N@H+](CCCc1c[nH+]ccc1C)Cc1ccc(C#N)cc1 ZINC000289212433 432935142 /nfs/dbraw/zinc/93/51/42/432935142.db2.gz WRKGDTOZKNVDCU-UHFFFAOYSA-N 2 2 323.440 3.343 20 30 DGEDLP COCC[N@@H+](CCCc1c[nH+]ccc1C)Cc1ccc(C#N)cc1 ZINC000289212433 432935146 /nfs/dbraw/zinc/93/51/46/432935146.db2.gz WRKGDTOZKNVDCU-UHFFFAOYSA-N 2 2 323.440 3.343 20 30 DGEDLP Cc1c[nH+]ccc1OC1CC[NH+](Cc2cc(C#N)cs2)CC1 ZINC000447068384 433151139 /nfs/dbraw/zinc/15/11/39/433151139.db2.gz LBZMKECUONUMJB-UHFFFAOYSA-N 2 2 313.426 3.367 20 30 DGEDLP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000280609865 433105493 /nfs/dbraw/zinc/10/54/93/433105493.db2.gz KBZFXBWVPUYINX-AFYVEPGGSA-N 2 2 314.473 3.078 20 30 DGEDLP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000280609865 433105503 /nfs/dbraw/zinc/10/55/03/433105503.db2.gz KBZFXBWVPUYINX-AFYVEPGGSA-N 2 2 314.473 3.078 20 30 DGEDLP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]Cc1c[nH+]c(C)n1-c1ccccc1 ZINC000280642522 433119611 /nfs/dbraw/zinc/11/96/11/433119611.db2.gz NIGRPEQXZDDADV-APWZRJJASA-N 2 2 311.429 3.252 20 30 DGEDLP C[C@H]1[C@@H]([NH2+]Cc2cccc(C#N)c2)CC[N@@H+]1Cc1ccccc1 ZINC000336716883 433183551 /nfs/dbraw/zinc/18/35/51/433183551.db2.gz PYBUTMQETUIHOI-JXFKEZNVSA-N 2 2 305.425 3.311 20 30 DGEDLP C[C@H]1[C@@H]([NH2+]Cc2cccc(C#N)c2)CC[N@H+]1Cc1ccccc1 ZINC000336716883 433183562 /nfs/dbraw/zinc/18/35/62/433183562.db2.gz PYBUTMQETUIHOI-JXFKEZNVSA-N 2 2 305.425 3.311 20 30 DGEDLP C[C@H](c1ccc(C#N)cc1)[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000090003675 290219354 /nfs/dbraw/zinc/21/93/54/290219354.db2.gz XRPJSIXWZURCJM-NVXWUHKLSA-N 2 2 308.429 3.307 20 30 DGEDLP C[C@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000090003675 290219355 /nfs/dbraw/zinc/21/93/55/290219355.db2.gz XRPJSIXWZURCJM-NVXWUHKLSA-N 2 2 308.429 3.307 20 30 DGEDLP C[C@H]1C[C@H]([NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)CS1 ZINC000414235387 433475341 /nfs/dbraw/zinc/47/53/41/433475341.db2.gz UJYSHDVFSYXNAG-KSSFIOAISA-N 2 2 315.486 3.006 20 30 DGEDLP C=CCOc1ccc(C[N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)cc1Cl ZINC000427130625 433653968 /nfs/dbraw/zinc/65/39/68/433653968.db2.gz KIUFXBDANXENAO-GOEBONIOSA-N 2 2 306.837 3.089 20 30 DGEDLP C=CCOc1ccc(C[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)cc1Cl ZINC000427130625 433653979 /nfs/dbraw/zinc/65/39/79/433653979.db2.gz KIUFXBDANXENAO-GOEBONIOSA-N 2 2 306.837 3.089 20 30 DGEDLP Cn1cc[nH+]c1[C@H]1CC[N@H+](Cc2cccc(OCCCC#N)c2)C1 ZINC000377889985 434029176 /nfs/dbraw/zinc/02/91/76/434029176.db2.gz RMQUQVAROGTXKF-KRWDZBQOSA-N 2 2 324.428 3.092 20 30 DGEDLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](Cc2cccc(OCCCC#N)c2)C1 ZINC000377889985 434029185 /nfs/dbraw/zinc/02/91/85/434029185.db2.gz RMQUQVAROGTXKF-KRWDZBQOSA-N 2 2 324.428 3.092 20 30 DGEDLP C=CC[NH+]1CCC([NH2+][C@H](c2ncc[nH]2)C2CCCCC2)CC1 ZINC000286342011 434237875 /nfs/dbraw/zinc/23/78/75/434237875.db2.gz YIVPJDVRUSJRIJ-KRWDZBQOSA-N 2 2 302.466 3.271 20 30 DGEDLP C[N@H+](CC1CC1)C[C@H]1CC[NH+](CC#Cc2cccc(Cl)c2)C1 ZINC000437575952 434293200 /nfs/dbraw/zinc/29/32/00/434293200.db2.gz BQQCPRJNLRNKLB-GOSISDBHSA-N 2 2 316.876 3.355 20 30 DGEDLP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](CC#Cc2cccc(Cl)c2)C1 ZINC000437575952 434293207 /nfs/dbraw/zinc/29/32/07/434293207.db2.gz BQQCPRJNLRNKLB-GOSISDBHSA-N 2 2 316.876 3.355 20 30 DGEDLP C[NH+](CC1CC1)C[C@H]1CC[N@H+](CC#Cc2cccc(Cl)c2)C1 ZINC000437575952 434293211 /nfs/dbraw/zinc/29/32/11/434293211.db2.gz BQQCPRJNLRNKLB-GOSISDBHSA-N 2 2 316.876 3.355 20 30 DGEDLP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](CC#Cc2cccc(Cl)c2)C1 ZINC000437575952 434293215 /nfs/dbraw/zinc/29/32/15/434293215.db2.gz BQQCPRJNLRNKLB-GOSISDBHSA-N 2 2 316.876 3.355 20 30 DGEDLP Cn1cc[nH+]c1[C@@H]1CCC[N@H+](CC#Cc2cccc(Cl)c2)C1 ZINC000365625911 434302746 /nfs/dbraw/zinc/30/27/46/434302746.db2.gz IOGZEFWEDYDPTD-MRXNPFEDSA-N 2 2 313.832 3.305 20 30 DGEDLP Cn1cc[nH+]c1[C@@H]1CCC[N@@H+](CC#Cc2cccc(Cl)c2)C1 ZINC000365625911 434302756 /nfs/dbraw/zinc/30/27/56/434302756.db2.gz IOGZEFWEDYDPTD-MRXNPFEDSA-N 2 2 313.832 3.305 20 30 DGEDLP COc1cc(C[NH2+]C[C@@H](C)[N@H+](C)Cc2ccccc2)ccc1C#N ZINC000390633900 434367647 /nfs/dbraw/zinc/36/76/47/434367647.db2.gz CTEIKXQLHLLMPW-MRXNPFEDSA-N 2 2 323.440 3.177 20 30 DGEDLP COc1cc(C[NH2+]C[C@@H](C)[N@@H+](C)Cc2ccccc2)ccc1C#N ZINC000390633900 434367656 /nfs/dbraw/zinc/36/76/56/434367656.db2.gz CTEIKXQLHLLMPW-MRXNPFEDSA-N 2 2 323.440 3.177 20 30 DGEDLP C[N@@H+](CC#Cc1cccc(Cl)c1)CC[C@@H]1CCCC[NH+]1C ZINC000438166587 434426212 /nfs/dbraw/zinc/42/62/12/434426212.db2.gz MGDYYIDOAPUWAL-SFHVURJKSA-N 2 2 304.865 3.498 20 30 DGEDLP C[N@H+](CC#Cc1cccc(Cl)c1)CC[C@@H]1CCCC[NH+]1C ZINC000438166587 434426216 /nfs/dbraw/zinc/42/62/16/434426216.db2.gz MGDYYIDOAPUWAL-SFHVURJKSA-N 2 2 304.865 3.498 20 30 DGEDLP C[NH+](CC#Cc1cccc(Cl)c1)CC[C@@H]1CCCC[N@@H+]1C ZINC000438166587 434426219 /nfs/dbraw/zinc/42/62/19/434426219.db2.gz MGDYYIDOAPUWAL-SFHVURJKSA-N 2 2 304.865 3.498 20 30 DGEDLP C[NH+](CC#Cc1cccc(Cl)c1)CC[C@@H]1CCCC[N@H+]1C ZINC000438166587 434426222 /nfs/dbraw/zinc/42/62/22/434426222.db2.gz MGDYYIDOAPUWAL-SFHVURJKSA-N 2 2 304.865 3.498 20 30 DGEDLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](CCCCC(C)(C)C#N)C1 ZINC000369000923 434585841 /nfs/dbraw/zinc/58/58/41/434585841.db2.gz KCSMUYJYKBJEHD-INIZCTEOSA-N 2 2 302.466 3.395 20 30 DGEDLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](CCCCC(C)(C)C#N)C1 ZINC000369000923 434585845 /nfs/dbraw/zinc/58/58/45/434585845.db2.gz KCSMUYJYKBJEHD-INIZCTEOSA-N 2 2 302.466 3.395 20 30 DGEDLP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(C#N)cc2Cl)C1 ZINC000439440207 434602342 /nfs/dbraw/zinc/60/23/42/434602342.db2.gz NSOFDBOOXLNPTH-OAHLLOKOSA-N 2 2 305.853 3.375 20 30 DGEDLP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(C#N)cc2Cl)C1 ZINC000439440207 434602349 /nfs/dbraw/zinc/60/23/49/434602349.db2.gz NSOFDBOOXLNPTH-OAHLLOKOSA-N 2 2 305.853 3.375 20 30 DGEDLP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(C#N)cc2Cl)C1 ZINC000439440207 434602355 /nfs/dbraw/zinc/60/23/55/434602355.db2.gz NSOFDBOOXLNPTH-OAHLLOKOSA-N 2 2 305.853 3.375 20 30 DGEDLP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2Cl)C1 ZINC000439440207 434602357 /nfs/dbraw/zinc/60/23/57/434602357.db2.gz NSOFDBOOXLNPTH-OAHLLOKOSA-N 2 2 305.853 3.375 20 30 DGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@@H]3CCC[C@@H]4C[C@@H]43)CC2)cc1 ZINC000459764469 434707144 /nfs/dbraw/zinc/70/71/44/434707144.db2.gz ORESYRBUEFUWAD-YZGWKJHDSA-N 2 2 309.457 3.301 20 30 DGEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)c2cc(OC)c(OC)cc2F)CC1 ZINC000361215313 434831987 /nfs/dbraw/zinc/83/19/87/434831987.db2.gz IRSSUDOAYRQXRV-ZDUSSCGKSA-N 2 2 322.424 3.144 20 30 DGEDLP C=CCOCC[NH2+][C@@H](C[N@@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000645121640 435571380 /nfs/dbraw/zinc/57/13/80/435571380.db2.gz DUJWKLDASZQHAY-IBGZPJMESA-N 2 2 316.489 3.252 20 30 DGEDLP C=CCOCC[NH2+][C@@H](C[N@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000645121640 435571386 /nfs/dbraw/zinc/57/13/86/435571386.db2.gz DUJWKLDASZQHAY-IBGZPJMESA-N 2 2 316.489 3.252 20 30 DGEDLP C=CC[C@H](Cc1ccccc1)[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655776211 435790128 /nfs/dbraw/zinc/79/01/28/435790128.db2.gz JUIXZERPXHWCQX-UXHICEINSA-N 2 2 314.473 3.017 20 30 DGEDLP C=CCC[C@@H](O)C[NH+]1CCC(Cc2[nH]c3ccccc3[nH+]2)CC1 ZINC000660854755 435908435 /nfs/dbraw/zinc/90/84/35/435908435.db2.gz CFHSJZGOCURQNZ-MRXNPFEDSA-N 2 2 313.445 3.145 20 30 DGEDLP C=CCOc1ccc(C[N@@H+]2CC[C@@H]([NH3+])[C@@H](CC)C2)cc1Cl ZINC000647499126 436068768 /nfs/dbraw/zinc/06/87/68/436068768.db2.gz ZZPDFWPKABDWCS-GOEBONIOSA-N 2 2 308.853 3.464 20 30 DGEDLP C=CCOc1ccc(C[N@H+]2CC[C@@H]([NH3+])[C@@H](CC)C2)cc1Cl ZINC000647499126 436068771 /nfs/dbraw/zinc/06/87/71/436068771.db2.gz ZZPDFWPKABDWCS-GOEBONIOSA-N 2 2 308.853 3.464 20 30 DGEDLP C=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000662088506 436270034 /nfs/dbraw/zinc/27/00/34/436270034.db2.gz HFPKCWALVQMJAK-BGYRXZFFSA-N 2 2 312.457 3.202 20 30 DGEDLP C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000662088506 436270036 /nfs/dbraw/zinc/27/00/36/436270036.db2.gz HFPKCWALVQMJAK-BGYRXZFFSA-N 2 2 312.457 3.202 20 30 DGEDLP C=CCC[C@@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1ccco1 ZINC000658293775 436420299 /nfs/dbraw/zinc/42/02/99/436420299.db2.gz CCVODFURHKIZJQ-DLBZAZTESA-N 2 2 304.434 3.130 20 30 DGEDLP C=CCC[C@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1ccco1 ZINC000658293778 436420786 /nfs/dbraw/zinc/42/07/86/436420786.db2.gz CCVODFURHKIZJQ-SJORKVTESA-N 2 2 304.434 3.130 20 30 DGEDLP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]Cc2ccc(C#N)cn2)cc1 ZINC000558235038 314834550 /nfs/dbraw/zinc/83/45/50/314834550.db2.gz GUECGTQVLSVEAY-AWEZNQCLSA-N 2 2 317.396 3.298 20 30 DGEDLP C=CC[NH+]1CCC([NH2+][C@H](Cc2cccc(OC)c2)C2CC2)CC1 ZINC000179023624 337166790 /nfs/dbraw/zinc/16/67/90/337166790.db2.gz XNNPXGKHZMWNBO-HXUWFJFHSA-N 2 2 314.473 3.256 20 30 DGEDLP N#CC1(C[N@@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccccc2)C3)CC1 ZINC000343315721 534549787 /nfs/dbraw/zinc/54/97/87/534549787.db2.gz QTBXKVYCLYDUBR-HXUWFJFHSA-N 2 2 309.457 3.278 20 30 DGEDLP N#CC1(C[N@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccccc2)C3)CC1 ZINC000343315721 534549791 /nfs/dbraw/zinc/54/97/91/534549791.db2.gz QTBXKVYCLYDUBR-HXUWFJFHSA-N 2 2 309.457 3.278 20 30 DGEDLP N#CC1(C[NH+]2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)CC1 ZINC000343315721 534549796 /nfs/dbraw/zinc/54/97/96/534549796.db2.gz QTBXKVYCLYDUBR-HXUWFJFHSA-N 2 2 309.457 3.278 20 30 DGEDLP N#CC1(C[NH+]2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)CC1 ZINC000343315721 534549799 /nfs/dbraw/zinc/54/97/99/534549799.db2.gz QTBXKVYCLYDUBR-HXUWFJFHSA-N 2 2 309.457 3.278 20 30 DGEDLP Clc1ccc(C#CC[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)cc1 ZINC000177309951 534638798 /nfs/dbraw/zinc/63/87/98/534638798.db2.gz UMNIOTRLFUETIP-SFHVURJKSA-N 2 2 316.876 3.499 20 30 DGEDLP Clc1ccc(C#CC[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)cc1 ZINC000177309951 534638801 /nfs/dbraw/zinc/63/88/01/534638801.db2.gz UMNIOTRLFUETIP-SFHVURJKSA-N 2 2 316.876 3.499 20 30 DGEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)c2ccc(N(C)CC)cc2)CC1 ZINC000177906182 526453224 /nfs/dbraw/zinc/45/32/24/526453224.db2.gz DTRQXFIDIXRUOR-INIZCTEOSA-N 2 2 301.478 3.444 20 30 DGEDLP C=C(C)C[N@H+](CCCc1c[nH+]ccc1C)Cc1ccc(CO)o1 ZINC000348649837 526550410 /nfs/dbraw/zinc/55/04/10/526550410.db2.gz SQTGQRAXGMAEAI-UHFFFAOYSA-N 2 2 314.429 3.486 20 30 DGEDLP C=C(C)C[N@@H+](CCCc1c[nH+]ccc1C)Cc1ccc(CO)o1 ZINC000348649837 526550416 /nfs/dbraw/zinc/55/04/16/526550416.db2.gz SQTGQRAXGMAEAI-UHFFFAOYSA-N 2 2 314.429 3.486 20 30 DGEDLP C=CC[C@H](CO)C[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000341887785 527186263 /nfs/dbraw/zinc/18/62/63/527186263.db2.gz ZQMMYLOUOHPROQ-INIZCTEOSA-N 2 2 322.880 3.079 20 30 DGEDLP C=CC[NH+](CC=C)[C@@H](C[NH2+][C@@H]1CCC12CCOCC2)C(C)C ZINC000377117863 527646341 /nfs/dbraw/zinc/64/63/41/527646341.db2.gz AYQLFPBCDBHPCP-ZWKOTPCHSA-N 2 2 306.494 3.234 20 30 DGEDLP C[C@H]1C[C@H]([NH2+]CC#Cc2ccc(C(F)(F)F)cc2)CC[N@@H+]1C ZINC000181214466 546155139 /nfs/dbraw/zinc/15/51/39/546155139.db2.gz FZRLTANXCOAQLP-XJKSGUPXSA-N 2 2 310.363 3.129 20 30 DGEDLP C[C@H]1C[C@H]([NH2+]CC#Cc2ccc(C(F)(F)F)cc2)CC[N@H+]1C ZINC000181214466 546155142 /nfs/dbraw/zinc/15/51/42/546155142.db2.gz FZRLTANXCOAQLP-XJKSGUPXSA-N 2 2 310.363 3.129 20 30 DGEDLP C[NH+](C)C1(CNC(=O)[C@H]2CCn3c[nH+]cc3C2)CCCCCC1 ZINC000329377939 546485593 /nfs/dbraw/zinc/48/55/93/546485593.db2.gz OUXNDTARNCDCHB-HNNXBMFYSA-N 2 2 318.465 3.057 20 30 DGEDLP Cc1ccc(C)c(CO[NH+]=C(N)c2ccc(C[NH+](C)C)cc2)c1 ZINC000747838793 575545464 /nfs/dbraw/zinc/54/54/64/575545464.db2.gz LETSXQWHHMKWDE-UHFFFAOYSA-N 2 2 311.429 3.202 20 30 DGEDLP C#CCCCOc1ccc[nH+]c1N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000853411632 620693614 /nfs/dbraw/zinc/69/36/14/620693614.db2.gz PMIXZCADLDQRCY-HOTGVXAUSA-N 2 2 301.434 3.159 20 30 DGEDLP CSc1ccc(C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1C#N ZINC000926869629 618359011 /nfs/dbraw/zinc/35/90/11/618359011.db2.gz VUGODZIYYFNHQJ-SJORKVTESA-N 2 2 315.486 3.387 20 30 DGEDLP CSc1ccc(C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)cc1C#N ZINC000926869629 618359016 /nfs/dbraw/zinc/35/90/16/618359016.db2.gz VUGODZIYYFNHQJ-SJORKVTESA-N 2 2 315.486 3.387 20 30 DGEDLP N#Cc1ccc(CN(c2cccc[nH+]2)[C@H]2CC[C@H]([NH3+])CC2)s1 ZINC000895110429 618539366 /nfs/dbraw/zinc/53/93/66/618539366.db2.gz LIVMFOCJLGFZLL-HDJSIYSDSA-N 2 2 312.442 3.291 20 30 DGEDLP N#Cc1csc(CN(c2cccc[nH+]2)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC000895110711 618539620 /nfs/dbraw/zinc/53/96/20/618539620.db2.gz VAABDIUWNGIARC-SHTZXODSSA-N 2 2 312.442 3.291 20 30 DGEDLP C=CCOc1ccc(C[NH+]2CCC(C)([NH+]3CCC3)CC2)cc1 ZINC000895671008 618816503 /nfs/dbraw/zinc/81/65/03/618816503.db2.gz LHOGVHWADBANIF-UHFFFAOYSA-N 2 2 300.446 3.312 20 30 DGEDLP C[C@H]([NH2+]CCC[N@H+](C)Cc1ccccc1)c1cc(C#N)ccn1 ZINC000902729343 619666742 /nfs/dbraw/zinc/66/67/42/619666742.db2.gz HUOFKLQIALFADU-INIZCTEOSA-N 2 2 308.429 3.126 20 30 DGEDLP C[C@H]([NH2+]CCC[N@@H+](C)Cc1ccccc1)c1cc(C#N)ccn1 ZINC000902729343 619666743 /nfs/dbraw/zinc/66/67/43/619666743.db2.gz HUOFKLQIALFADU-INIZCTEOSA-N 2 2 308.429 3.126 20 30 DGEDLP N#CC1(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)CC1 ZINC000903105468 619717537 /nfs/dbraw/zinc/71/75/37/619717537.db2.gz CJUSCVOITPKCGM-QRVBRYPASA-N 2 2 309.457 3.323 20 30 DGEDLP N#CC1(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)CC1 ZINC000903105468 619717539 /nfs/dbraw/zinc/71/75/39/619717539.db2.gz CJUSCVOITPKCGM-QRVBRYPASA-N 2 2 309.457 3.323 20 30 DGEDLP CC[C@H](C#N)Oc1cccc(C[NH2+]Cc2c[nH+]ccc2N(C)C)c1 ZINC000759153812 621830289 /nfs/dbraw/zinc/83/02/89/621830289.db2.gz MNYAGEOCRJBLFH-QGZVFWFLSA-N 2 2 324.428 3.118 20 30 DGEDLP CC[NH+](CC)CCC[C@@H](C)[NH2+][C@H](C)c1cccc(C#N)c1O ZINC000866212754 622067172 /nfs/dbraw/zinc/06/71/72/622067172.db2.gz UXACFQYWGSBUHM-HUUCEWRRSA-N 2 2 303.450 3.425 20 30 DGEDLP C[C@@H]([NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1)c1cccc(C#N)c1O ZINC000866392738 622109766 /nfs/dbraw/zinc/10/97/66/622109766.db2.gz GHTMHCOMFQEWDF-GDBMZVCRSA-N 2 2 313.445 3.036 20 30 DGEDLP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1)c1cccc(C#N)c1O ZINC000866392738 622109769 /nfs/dbraw/zinc/10/97/69/622109769.db2.gz GHTMHCOMFQEWDF-GDBMZVCRSA-N 2 2 313.445 3.036 20 30 DGEDLP C[C@H]([NH2+]C1CCC(C)([NH+](C)C)CC1)c1cccc(C#N)c1O ZINC000866517997 622131343 /nfs/dbraw/zinc/13/13/43/622131343.db2.gz QJWAMHJYNFFIOD-UQHVZDHRSA-N 2 2 301.434 3.177 20 30 DGEDLP C=CC[NH+]1CCC([NH2+][C@H](C)CCc2ccc(OC)cc2)CC1 ZINC000765833000 622290433 /nfs/dbraw/zinc/29/04/33/622290433.db2.gz KFRHCHAMQRHODJ-MRXNPFEDSA-N 2 2 302.462 3.256 20 30 DGEDLP CC(C)(C)[C@H](Cn1cc[nH+]c1)[NH2+]Cc1ccc(C#N)cc1F ZINC000772918193 622954190 /nfs/dbraw/zinc/95/41/90/622954190.db2.gz HHGGETRJNWOHDJ-INIZCTEOSA-N 2 2 300.381 3.098 20 30 DGEDLP C#CCOc1cccc(Cl)c1C[NH2+]C[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000778161567 623617966 /nfs/dbraw/zinc/61/79/66/623617966.db2.gz LZHMUNXOHNAKSI-HNNXBMFYSA-N 2 2 320.864 3.172 20 30 DGEDLP C#CCOc1cccc(Cl)c1C[NH2+]C[C@@H]1CC[N@H+](C(C)C)C1 ZINC000778161567 623617967 /nfs/dbraw/zinc/61/79/67/623617967.db2.gz LZHMUNXOHNAKSI-HNNXBMFYSA-N 2 2 320.864 3.172 20 30 DGEDLP C=CCC[C@H]([NH2+]CCCn1cc[nH+]c1)[C@@H]1Cc2ccccc2O1 ZINC000883164272 625948794 /nfs/dbraw/zinc/94/87/94/625948794.db2.gz ABYUKPYEUMBPQO-HKUYNNGSSA-N 2 2 311.429 3.201 20 30 DGEDLP C[NH+](C)C1CCN(c2ccc([NH2+][C@H]3CC[C@H](C#N)C3)cc2)CC1 ZINC000799723089 626324605 /nfs/dbraw/zinc/32/46/05/626324605.db2.gz ZCAHZESCRKVPOZ-RDJZCZTQSA-N 2 2 312.461 3.321 20 30 DGEDLP CC(C)(C)[C@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CCc2ccc(C#N)cc21 ZINC000810211794 626988003 /nfs/dbraw/zinc/98/80/03/626988003.db2.gz WHDSMZAIBNCHBZ-MSOLQXFVSA-N 2 2 308.429 3.447 20 30 DGEDLP C#CC[N@@H+](C)CCC[NH2+][C@H](CC)c1cc(Cl)ccc1OC ZINC000815651887 627694992 /nfs/dbraw/zinc/69/49/92/627694992.db2.gz HNWGDKUBCKTVRG-MRXNPFEDSA-N 2 2 308.853 3.344 20 30 DGEDLP C#CC[N@H+](C)CCC[NH2+][C@H](CC)c1cc(Cl)ccc1OC ZINC000815651887 627694996 /nfs/dbraw/zinc/69/49/96/627694996.db2.gz HNWGDKUBCKTVRG-MRXNPFEDSA-N 2 2 308.853 3.344 20 30 DGEDLP CC[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C(C)C)C1)c1cccc(C#N)c1O ZINC000924960667 627698120 /nfs/dbraw/zinc/69/81/20/627698120.db2.gz QPXBUYJFMWDKSU-YJBOKZPZSA-N 2 2 315.461 3.425 20 30 DGEDLP CC[C@H]([NH2+]C[C@@H]1CCC[N@H+](C(C)C)C1)c1cccc(C#N)c1O ZINC000924960667 627698121 /nfs/dbraw/zinc/69/81/21/627698121.db2.gz QPXBUYJFMWDKSU-YJBOKZPZSA-N 2 2 315.461 3.425 20 30 DGEDLP C=CCc1cc(C[NH2+][C@H](C)[C@@H]2CCCC[NH2+]2)cc(OC)c1OC ZINC000817909355 627959829 /nfs/dbraw/zinc/95/98/29/627959829.db2.gz OKPHOAZGJGOPEH-PBHICJAKSA-N 2 2 318.461 3.053 20 30 DGEDLP CN1c2ccccc2C(C)(C)C1=CC=[NH+]NCCCn1cc[nH+]c1 ZINC000848420207 631659424 /nfs/dbraw/zinc/65/94/24/631659424.db2.gz SLMUYWDBAOJHNI-DETJWLCNSA-N 2 2 323.444 3.160 20 30 DGEDLP C=C(C)C[NH2+][C@H]1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)C[C@@H]1C ZINC001036114880 660875944 /nfs/dbraw/zinc/87/59/44/660875944.db2.gz IPETVQNKPYIZQB-YOEHRIQHSA-N 2 2 315.461 3.023 20 30 DGEDLP C=CC[N@H+](C[C@@H]1C[NH+](Cc2ccccc2)CCCO1)C(C)C ZINC000792863355 660989838 /nfs/dbraw/zinc/98/98/38/660989838.db2.gz VNFBBQMHLCWJGB-IBGZPJMESA-N 2 2 302.462 3.174 20 30 DGEDLP C=CC[N@@H+](C[C@@H]1C[NH+](Cc2ccccc2)CCCO1)C(C)C ZINC000792863355 660989843 /nfs/dbraw/zinc/98/98/43/660989843.db2.gz VNFBBQMHLCWJGB-IBGZPJMESA-N 2 2 302.462 3.174 20 30 DGEDLP C=CC[NH+](C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)C(C)C ZINC000792863355 660989846 /nfs/dbraw/zinc/98/98/46/660989846.db2.gz VNFBBQMHLCWJGB-IBGZPJMESA-N 2 2 302.462 3.174 20 30 DGEDLP C=CC[NH+](C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)C(C)C ZINC000792863355 660989849 /nfs/dbraw/zinc/98/98/49/660989849.db2.gz VNFBBQMHLCWJGB-IBGZPJMESA-N 2 2 302.462 3.174 20 30 DGEDLP C#CC[N@H+](C)CCC[NH2+][C@H](c1ccccc1)c1ccc(F)cc1 ZINC000328016920 656033067 /nfs/dbraw/zinc/03/30/67/656033067.db2.gz RLFDFNOQKXXGJZ-HXUWFJFHSA-N 2 2 310.416 3.460 20 30 DGEDLP C#CC[N@@H+](C)CCC[NH2+][C@H](c1ccccc1)c1ccc(F)cc1 ZINC000328016920 656033068 /nfs/dbraw/zinc/03/30/68/656033068.db2.gz RLFDFNOQKXXGJZ-HXUWFJFHSA-N 2 2 310.416 3.460 20 30 DGEDLP C#CC[N@@H+](C)CCC[NH2+][C@@H](c1ccccc1)c1ccc(OC)cc1 ZINC000328268632 656057614 /nfs/dbraw/zinc/05/76/14/656057614.db2.gz NCHZUCYDWKKKJG-NRFANRHFSA-N 2 2 322.452 3.329 20 30 DGEDLP C#CC[N@H+](C)CCC[NH2+][C@@H](c1ccccc1)c1ccc(OC)cc1 ZINC000328268632 656057616 /nfs/dbraw/zinc/05/76/16/656057616.db2.gz NCHZUCYDWKKKJG-NRFANRHFSA-N 2 2 322.452 3.329 20 30 DGEDLP C=C(C)C[N@@H+](C)C1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)CC1 ZINC000985545640 657745011 /nfs/dbraw/zinc/74/50/11/657745011.db2.gz VWPOUFGSQRIKOV-UHFFFAOYSA-N 2 2 315.461 3.119 20 30 DGEDLP C=C(C)C[N@H+](C)C1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)CC1 ZINC000985545640 657745019 /nfs/dbraw/zinc/74/50/19/657745019.db2.gz VWPOUFGSQRIKOV-UHFFFAOYSA-N 2 2 315.461 3.119 20 30 DGEDLP CC[NH+](CC)[C@H](CNC(=[NH2+])NC1CCCCCC1)c1ccco1 ZINC000305744228 657997410 /nfs/dbraw/zinc/99/74/10/657997410.db2.gz LFLDZCXHCFRMAO-MRXNPFEDSA-N 2 2 320.481 3.290 20 30 DGEDLP C=CC[NH2+][C@@H]1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)C[C@H]1CC ZINC001037892430 658500943 /nfs/dbraw/zinc/50/09/43/658500943.db2.gz NHIRARWIHFGPBJ-IAGOWNOFSA-N 2 2 315.461 3.023 20 30 DGEDLP C#Cc1ccc(C[NH2+]C[C@H]2CCC[N@@H+]2Cc2ccccc2)cc1 ZINC001620802437 1192083721 /nfs/dbraw/zinc/08/37/21/1192083721.db2.gz LLMACYVKYXOJCJ-OAQYLSRUSA-N 2 2 304.437 3.422 20 30 DGEDLP C#Cc1ccc(C[NH2+]C[C@H]2CCC[N@H+]2Cc2ccccc2)cc1 ZINC001620802437 1192083724 /nfs/dbraw/zinc/08/37/24/1192083724.db2.gz LLMACYVKYXOJCJ-OAQYLSRUSA-N 2 2 304.437 3.422 20 30 DGEDLP CCCCCCCC[C@H]([NH3+])C(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC001341613895 1179038528 /nfs/dbraw/zinc/03/85/28/1179038528.db2.gz LMPUJHMAJPGSEL-INIZCTEOSA-N 2 2 320.481 3.194 20 30 DGEDLP CCCCCCCC[C@H]([NH3+])C(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC001341613895 1179038537 /nfs/dbraw/zinc/03/85/37/1179038537.db2.gz LMPUJHMAJPGSEL-INIZCTEOSA-N 2 2 320.481 3.194 20 30 DGEDLP CCCCCCCC[C@@H]([NH3+])C(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC001341613897 1179039646 /nfs/dbraw/zinc/03/96/46/1179039646.db2.gz LMPUJHMAJPGSEL-MRXNPFEDSA-N 2 2 320.481 3.194 20 30 DGEDLP CCCCCCCC[C@@H]([NH3+])C(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC001341613897 1179039653 /nfs/dbraw/zinc/03/96/53/1179039653.db2.gz LMPUJHMAJPGSEL-MRXNPFEDSA-N 2 2 320.481 3.194 20 30 DGEDLP C[N@@H+]1CCCC(C)(C)[C@@H]1C[NH2+]C1CC(C#N)(c2ccccc2)C1 ZINC001462199771 1182922209 /nfs/dbraw/zinc/92/22/09/1182922209.db2.gz MGRXTUWYLITHAQ-FDYSRKEFSA-N 2 2 311.473 3.320 20 30 DGEDLP C[N@H+]1CCCC(C)(C)[C@@H]1C[NH2+]C1CC(C#N)(c2ccccc2)C1 ZINC001462199771 1182922214 /nfs/dbraw/zinc/92/22/14/1182922214.db2.gz MGRXTUWYLITHAQ-FDYSRKEFSA-N 2 2 311.473 3.320 20 30 DGEDLP C=CCC[NH2+][C@@H]1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)C[C@@H]1C ZINC001496350408 1185172577 /nfs/dbraw/zinc/17/25/77/1185172577.db2.gz IWUXZDWTNTYWQN-WMLDXEAASA-N 2 2 315.461 3.023 20 30 DGEDLP C=CCC[NH2+][C@H](C)[C@@H]1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001501058989 1185863635 /nfs/dbraw/zinc/86/36/35/1185863635.db2.gz UQHBUHJGPNBUOV-NVXWUHKLSA-N 2 2 315.461 3.023 20 30 DGEDLP C=CCC[NH2+]CC[C@@H]1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001501596273 1185910402 /nfs/dbraw/zinc/91/04/02/1185910402.db2.gz AGVDMXJZULSMRG-QGZVFWFLSA-N 2 2 315.461 3.025 20 30 DGEDLP C=CCCC[NH2+][C@@H](C)[C@H](C)NC(=O)c1c(C)cc(C)[nH+]c1C ZINC001505659083 1186120339 /nfs/dbraw/zinc/12/03/39/1186120339.db2.gz BWTHVCHDGJAXSW-GJZGRUSLSA-N 2 2 303.450 3.069 20 30 DGEDLP CC1CC[NH+](CC[C@@H]2CCC[N@@H+]2Cc2cc(C#N)ccn2)CC1 ZINC001654515566 1195812885 /nfs/dbraw/zinc/81/28/85/1195812885.db2.gz RJCXYMNFSGCHGV-IBGZPJMESA-N 2 2 312.461 3.040 20 30 DGEDLP CC1CC[NH+](CC[C@@H]2CCC[N@H+]2Cc2cc(C#N)ccn2)CC1 ZINC001654515566 1195812888 /nfs/dbraw/zinc/81/28/88/1195812888.db2.gz RJCXYMNFSGCHGV-IBGZPJMESA-N 2 2 312.461 3.040 20 30 DGEDLP C#CC[N@H+](C)CCC[NH2+]Cc1cc2cccc(C)c2nc1Cl ZINC001656336062 1196030928 /nfs/dbraw/zinc/03/09/28/1196030928.db2.gz IPKNIIKTIDPZCF-UHFFFAOYSA-N 2 2 315.848 3.241 20 30 DGEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1cc2cccc(C)c2nc1Cl ZINC001656336062 1196030932 /nfs/dbraw/zinc/03/09/32/1196030932.db2.gz IPKNIIKTIDPZCF-UHFFFAOYSA-N 2 2 315.848 3.241 20 30 DGEDLP C=CCC[C@@H](C)[N@H+](C)CCCNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001660235262 1196459843 /nfs/dbraw/zinc/45/98/43/1196459843.db2.gz RVAVBHHHPYKHGW-MRXNPFEDSA-N 2 2 317.477 3.413 20 30 DGEDLP C=CCC[C@@H](C)[N@@H+](C)CCCNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001660235262 1196459844 /nfs/dbraw/zinc/45/98/44/1196459844.db2.gz RVAVBHHHPYKHGW-MRXNPFEDSA-N 2 2 317.477 3.413 20 30 DGEDLP C#CCCC[NH2+]Cc1ccc(OCCn2cc[nH+]c2)c(Cl)c1 ZINC001662385780 1196715219 /nfs/dbraw/zinc/71/52/19/1196715219.db2.gz CYYNZCHTXJJCPK-UHFFFAOYSA-N 2 2 317.820 3.119 20 30 DGEDLP C=CCC[C@H](C)[N@H+](C)[C@H](C)CNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001674964981 1197936401 /nfs/dbraw/zinc/93/64/01/1197936401.db2.gz HHIUEMXAYLSCOK-JKSUJKDBSA-N 2 2 317.477 3.412 20 30 DGEDLP C=CCC[C@H](C)[N@@H+](C)[C@H](C)CNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001674964981 1197936406 /nfs/dbraw/zinc/93/64/06/1197936406.db2.gz HHIUEMXAYLSCOK-JKSUJKDBSA-N 2 2 317.477 3.412 20 30 DGEDLP N#Cc1ccccc1C[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000302830181 1199544218 /nfs/dbraw/zinc/54/42/18/1199544218.db2.gz NPZHFINLDMBLSF-UHFFFAOYSA-N 2 2 305.425 3.312 20 30 DGEDLP C=C(C)CC[NH2+]CC1CC(NC(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001700376782 1202254378 /nfs/dbraw/zinc/25/43/78/1202254378.db2.gz DNBNUIUNIQAZKK-UHFFFAOYSA-N 2 2 315.461 3.071 20 30 DGEDLP C=CCC[C@H](C)[NH2+][C@@H](C)CCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001713411057 1202646952 /nfs/dbraw/zinc/64/69/52/1202646952.db2.gz UHGLHDMVADEUPF-KBPBESRZSA-N 2 2 314.433 3.016 20 30 DGEDLP C=CCC[C@@H](C)[NH2+]C[C@@H](C)CNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001714415877 1202919868 /nfs/dbraw/zinc/91/98/68/1202919868.db2.gz MLIYRQSVMALVML-UKRRQHHQSA-N 2 2 317.477 3.317 20 30 DGEDLP C=C(C)CC[N@H+](CCNC(=O)c1c(C)cc(C)[nH+]c1C)C1CC1 ZINC001266602787 1082052659 /nfs/dbraw/zinc/05/26/59/1082052659.db2.gz UKCYRUZAUXWZNU-UHFFFAOYSA-N 2 2 315.461 3.167 20 30 DGEDLP C=C(C)CC[N@@H+](CCNC(=O)c1c(C)cc(C)[nH+]c1C)C1CC1 ZINC001266602787 1082052663 /nfs/dbraw/zinc/05/26/63/1082052663.db2.gz UKCYRUZAUXWZNU-UHFFFAOYSA-N 2 2 315.461 3.167 20 30 DGEDLP C[C@@H](C[NH+](C)C)[C@H]1CCCC[N@@H+]1Cc1ccc(C#N)cc1F ZINC001183065164 1083871699 /nfs/dbraw/zinc/87/16/99/1083871699.db2.gz HPJHRAHNJIPXOZ-KBXCAEBGSA-N 2 2 303.425 3.250 20 30 DGEDLP C[C@@H](C[NH+](C)C)[C@H]1CCCC[N@H+]1Cc1ccc(C#N)cc1F ZINC001183065164 1083871705 /nfs/dbraw/zinc/87/17/05/1083871705.db2.gz HPJHRAHNJIPXOZ-KBXCAEBGSA-N 2 2 303.425 3.250 20 30 DGEDLP C[C@]1([NH3+])CCC[N@H+](Cc2ccc(C#N)cc2Br)CC1 ZINC001205263704 1083912770 /nfs/dbraw/zinc/91/27/70/1083912770.db2.gz BQVZXMKJYQZNOP-HNNXBMFYSA-N 2 2 322.250 3.024 20 30 DGEDLP C[C@]1([NH3+])CCC[N@@H+](Cc2ccc(C#N)cc2Br)CC1 ZINC001205263704 1083912774 /nfs/dbraw/zinc/91/27/74/1083912774.db2.gz BQVZXMKJYQZNOP-HNNXBMFYSA-N 2 2 322.250 3.024 20 30 DGEDLP N#Cc1ccc2cc[nH+]c(N3CCC4(CCCC[NH2+]4)CC3)c2c1 ZINC001165247302 1090488073 /nfs/dbraw/zinc/48/80/73/1090488073.db2.gz SUXKSNGZSRTYKS-UHFFFAOYSA-N 2 2 306.413 3.219 20 30 DGEDLP N#Cc1ccc(C[N@@H+]2C[C@@H]3C[NH+](Cc4cccs4)C[C@@H]3C2)cc1 ZINC001203903276 1090834412 /nfs/dbraw/zinc/83/44/12/1090834412.db2.gz TVUMUMRXPKHWPC-HDICACEKSA-N 2 2 323.465 3.184 20 30 DGEDLP N#Cc1ccc(C[N@H+]2C[C@@H]3C[NH+](Cc4cccs4)C[C@@H]3C2)cc1 ZINC001203903276 1090834416 /nfs/dbraw/zinc/83/44/16/1090834416.db2.gz TVUMUMRXPKHWPC-HDICACEKSA-N 2 2 323.465 3.184 20 30 DGEDLP N#Cc1ccc(C[NH+]2C[C@@H]3C[N@H+](Cc4cccs4)C[C@@H]3C2)cc1 ZINC001203903276 1090834421 /nfs/dbraw/zinc/83/44/21/1090834421.db2.gz TVUMUMRXPKHWPC-HDICACEKSA-N 2 2 323.465 3.184 20 30 DGEDLP N#Cc1ccc(C[NH+]2C[C@@H]3C[N@@H+](Cc4cccs4)C[C@@H]3C2)cc1 ZINC001203903276 1090834423 /nfs/dbraw/zinc/83/44/23/1090834423.db2.gz TVUMUMRXPKHWPC-HDICACEKSA-N 2 2 323.465 3.184 20 30 DGEDLP CN(c1ccc(C#N)cc1)c1ccc(C[N@@H+]2CC[C@](C)([NH3+])C2)cc1 ZINC001204769981 1091033712 /nfs/dbraw/zinc/03/37/12/1091033712.db2.gz ABEASMUGJUWGBG-FQEVSTJZSA-N 2 2 320.440 3.249 20 30 DGEDLP CN(c1ccc(C#N)cc1)c1ccc(C[N@H+]2CC[C@](C)([NH3+])C2)cc1 ZINC001204769981 1091033720 /nfs/dbraw/zinc/03/37/20/1091033720.db2.gz ABEASMUGJUWGBG-FQEVSTJZSA-N 2 2 320.440 3.249 20 30 DGEDLP C=C(C)COc1ccccc1C[N@@H+]1CCC(F)(F)[C@@H](C[NH3+])C1 ZINC001205771727 1091342034 /nfs/dbraw/zinc/34/20/34/1091342034.db2.gz VMMLTLZRQORUPN-HNNXBMFYSA-N 2 2 310.388 3.057 20 30 DGEDLP C=C(C)COc1ccccc1C[N@H+]1CCC(F)(F)[C@@H](C[NH3+])C1 ZINC001205771727 1091342042 /nfs/dbraw/zinc/34/20/42/1091342042.db2.gz VMMLTLZRQORUPN-HNNXBMFYSA-N 2 2 310.388 3.057 20 30 DGEDLP Cc1c[nH+]c2n1CCC21CC[NH+](Cc2ccc(C#N)c(F)c2)CC1 ZINC001139527437 1091586639 /nfs/dbraw/zinc/58/66/39/1091586639.db2.gz BZFIERZTNZMVSH-UHFFFAOYSA-N 2 2 324.403 3.140 20 30 DGEDLP C[N@@H+]1CCC[C@H](C[NH+]2CCC(C#N)(c3ccccc3F)CC2)C1 ZINC001208612843 1092428067 /nfs/dbraw/zinc/42/80/67/1092428067.db2.gz FHMCQQVOWRIGRP-INIZCTEOSA-N 2 2 315.436 3.025 20 30 DGEDLP C[N@H+]1CCC[C@H](C[NH+]2CCC(C#N)(c3ccccc3F)CC2)C1 ZINC001208612843 1092428074 /nfs/dbraw/zinc/42/80/74/1092428074.db2.gz FHMCQQVOWRIGRP-INIZCTEOSA-N 2 2 315.436 3.025 20 30 DGEDLP N#Cc1ccc(CCC[NH+]2CCC(Oc3cc[nH+]cc3)CC2)cc1 ZINC001208855750 1092547288 /nfs/dbraw/zinc/54/72/88/1092547288.db2.gz GYZYVSDOFKLKRU-UHFFFAOYSA-N 2 2 321.424 3.429 20 30 DGEDLP C=CCCC[C@@H]([NH3+])C(=O)Nc1cccc(-c2[nH]c(C)c(C)[nH+]2)c1 ZINC001121989989 1094860686 /nfs/dbraw/zinc/86/06/86/1094860686.db2.gz XKCMRUQNQCZVGF-MRXNPFEDSA-N 2 2 312.417 3.316 20 30 DGEDLP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)c1ccc(C#N)cc1C ZINC001340913388 1096067288 /nfs/dbraw/zinc/06/72/88/1096067288.db2.gz YVFSJQXEPDVPOZ-UHFFFAOYSA-N 2 2 317.352 3.008 20 30 DGEDLP CC(C)[N@H+](C)Cc1cnc2n1CC[NH+]([C@H](C)CCCC#N)[C@H]2C ZINC001172495692 1097169943 /nfs/dbraw/zinc/16/99/43/1097169943.db2.gz TTYXMAYEFMCVEH-CVEARBPZSA-N 2 2 317.481 3.182 20 30 DGEDLP CC(C)[N@@H+](C)Cc1cnc2n1CC[NH+]([C@H](C)CCCC#N)[C@H]2C ZINC001172495692 1097169946 /nfs/dbraw/zinc/16/99/46/1097169946.db2.gz TTYXMAYEFMCVEH-CVEARBPZSA-N 2 2 317.481 3.182 20 30 DGEDLP CC(C)[NH+](C)Cc1cnc2n1CC[N@H+]([C@H](C)CCCC#N)[C@H]2C ZINC001172495692 1097169950 /nfs/dbraw/zinc/16/99/50/1097169950.db2.gz TTYXMAYEFMCVEH-CVEARBPZSA-N 2 2 317.481 3.182 20 30 DGEDLP CC(C)[NH+](C)Cc1cnc2n1CC[N@@H+]([C@H](C)CCCC#N)[C@H]2C ZINC001172495692 1097169951 /nfs/dbraw/zinc/16/99/51/1097169951.db2.gz TTYXMAYEFMCVEH-CVEARBPZSA-N 2 2 317.481 3.182 20 30 DGEDLP Cc1ccc(N(C2CC[NH2+]CC2)C2CCC(CC#N)CC2)[nH+]c1 ZINC001173339274 1097421674 /nfs/dbraw/zinc/42/16/74/1097421674.db2.gz FFKZKVGKWSNSSJ-UHFFFAOYSA-N 2 2 312.461 3.421 20 30 DGEDLP N#Cc1ccc(C[N@@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)c(O)c1 ZINC001233386033 1098309927 /nfs/dbraw/zinc/30/99/27/1098309927.db2.gz CRNPDBAUMYOPEB-GOSISDBHSA-N 2 2 313.445 3.104 20 30 DGEDLP N#Cc1ccc(C[N@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)c(O)c1 ZINC001233386033 1098309934 /nfs/dbraw/zinc/30/99/34/1098309934.db2.gz CRNPDBAUMYOPEB-GOSISDBHSA-N 2 2 313.445 3.104 20 30 DGEDLP CCCCCCC[NH2+]CCCC[C@@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001176829589 1098441959 /nfs/dbraw/zinc/44/19/59/1098441959.db2.gz OHLYZWSFTAZFRS-QGZVFWFLSA-N 2 2 322.497 3.118 20 30 DGEDLP C=C(C)C[NH2+]CCCCCCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001178823166 1098943877 /nfs/dbraw/zinc/94/38/77/1098943877.db2.gz LAFBLUXKTSHXCG-UHFFFAOYSA-N 2 2 314.433 3.019 20 30 DGEDLP N#CCC[NH2+][C@@]12CC[C@@]([NH2+]Cc3nc4ccccc4[nH]3)(C1)CCC2 ZINC001277939440 1098977574 /nfs/dbraw/zinc/97/75/74/1098977574.db2.gz SDGQIOQVQWSLAX-RBUKOAKNSA-N 2 2 323.444 3.001 20 30 DGEDLP Cn1cc(C[NH+]2CCC([N@H+](C)C3CC3)CC2)c2cc(C#N)ccc21 ZINC001237473315 1100136026 /nfs/dbraw/zinc/13/60/26/1100136026.db2.gz WPAMOIZRFJIYSO-UHFFFAOYSA-N 2 2 322.456 3.109 20 30 DGEDLP Cn1cc(C[NH+]2CCC([N@@H+](C)C3CC3)CC2)c2cc(C#N)ccc21 ZINC001237473315 1100136029 /nfs/dbraw/zinc/13/60/29/1100136029.db2.gz WPAMOIZRFJIYSO-UHFFFAOYSA-N 2 2 322.456 3.109 20 30 DGEDLP N#Cc1c(F)cc(-c2ccc(C[N@H+]3CC[C@H]([NH3+])C3)cc2)cc1F ZINC001239931620 1100802220 /nfs/dbraw/zinc/80/22/20/1100802220.db2.gz XINYIJGIYMKCLA-HNNXBMFYSA-N 2 2 313.351 3.036 20 30 DGEDLP N#Cc1c(F)cc(-c2ccc(C[N@@H+]3CC[C@H]([NH3+])C3)cc2)cc1F ZINC001239931620 1100802222 /nfs/dbraw/zinc/80/22/22/1100802222.db2.gz XINYIJGIYMKCLA-HNNXBMFYSA-N 2 2 313.351 3.036 20 30 DGEDLP N#Cc1cc(-c2ccn3cc[nH+]c3c2)ccc1OC1CC[NH2+]CC1 ZINC001240512157 1101029513 /nfs/dbraw/zinc/02/95/13/1101029513.db2.gz QGUKMSDVKQPCTQ-UHFFFAOYSA-N 2 2 318.380 3.004 20 30 DGEDLP N#Cc1ccc(-c2ccn3c[nH+]c(C4C[NH2+]C4)c3c2)c(Cl)c1 ZINC001244328161 1103365097 /nfs/dbraw/zinc/36/50/97/1103365097.db2.gz VUAHFVVOXQXFLJ-UHFFFAOYSA-N 2 2 308.772 3.213 20 30 DGEDLP C=CCCC[NH2+][C@H]1CN(C(=O)c2c(C)cc(C)[nH+]c2C)C[C@H]1C ZINC001274230191 1104332749 /nfs/dbraw/zinc/33/27/49/1104332749.db2.gz XWEZRAHWGXSQFZ-PBHICJAKSA-N 2 2 315.461 3.023 20 30 DGEDLP C[NH2+][C@@]12CC[C@@]([NH2+]Cc3cccc(Cl)c3C#N)(C1)CCC2 ZINC001275362400 1104737459 /nfs/dbraw/zinc/73/74/59/1104737459.db2.gz BCNBLMZKAXRYFH-DLBZAZTESA-N 2 2 303.837 3.366 20 30 DGEDLP CC(C)[N@H+](Cc1cc2ccc(C#N)cc2[nH]1)C1CC[NH+](C)CC1 ZINC001249430943 1105286518 /nfs/dbraw/zinc/28/65/18/1105286518.db2.gz NILXCBJCLLANSY-UHFFFAOYSA-N 2 2 310.445 3.344 20 30 DGEDLP CC(C)[N@@H+](Cc1cc2ccc(C#N)cc2[nH]1)C1CC[NH+](C)CC1 ZINC001249430943 1105286522 /nfs/dbraw/zinc/28/65/22/1105286522.db2.gz NILXCBJCLLANSY-UHFFFAOYSA-N 2 2 310.445 3.344 20 30 DGEDLP C=CCC[C@H](O)C[N@H+](Cc1ccc(F)cc1)C1CC[NH+](C)CC1 ZINC001252604773 1105801498 /nfs/dbraw/zinc/80/14/98/1105801498.db2.gz ZAEOUDFBPHTCME-IBGZPJMESA-N 2 2 320.452 3.049 20 30 DGEDLP C=CCC[C@H](O)C[N@@H+](Cc1ccc(F)cc1)C1CC[NH+](C)CC1 ZINC001252604773 1105801502 /nfs/dbraw/zinc/80/15/02/1105801502.db2.gz ZAEOUDFBPHTCME-IBGZPJMESA-N 2 2 320.452 3.049 20 30 DGEDLP C=CCC[C@H](O)C[NH2+]C1CC[NH+](Cc2cc(F)ccc2C)CC1 ZINC001252618698 1105805767 /nfs/dbraw/zinc/80/57/67/1105805767.db2.gz DAYNDMWTKXYGSJ-IBGZPJMESA-N 2 2 320.452 3.015 20 30 DGEDLP Cc1ccc(F)cc1C[NH+]1CCC([NH2+][C@@H]2CC[C@H](C#N)C2)CC1 ZINC001254649412 1106122749 /nfs/dbraw/zinc/12/27/49/1106122749.db2.gz PAUBVNALBLBOOU-HNAYVOBHSA-N 2 2 315.436 3.380 20 30 DGEDLP N#C[C@H]1CC[C@@H]([NH+]2CCC([N@@H+]3CCc4ccccc4C3)CC2)C1 ZINC001254670981 1106129992 /nfs/dbraw/zinc/12/99/92/1106129992.db2.gz NJOPAYYSUWAWCI-OXJNMPFZSA-N 2 2 309.457 3.201 20 30 DGEDLP N#C[C@H]1CC[C@@H]([NH+]2CCC([N@H+]3CCc4ccccc4C3)CC2)C1 ZINC001254670981 1106129994 /nfs/dbraw/zinc/12/99/94/1106129994.db2.gz NJOPAYYSUWAWCI-OXJNMPFZSA-N 2 2 309.457 3.201 20 30 DGEDLP N#CC1(c2ccccc2)CC([NH2+]C[C@H]2CCCC[N@@H+]2C2CC2)C1 ZINC001256042367 1106360953 /nfs/dbraw/zinc/36/09/53/1106360953.db2.gz LATLOGGDRIOJAA-SKINQDTJSA-N 2 2 309.457 3.217 20 30 DGEDLP N#CC1(c2ccccc2)CC([NH2+]C[C@H]2CCCC[N@H+]2C2CC2)C1 ZINC001256042367 1106360957 /nfs/dbraw/zinc/36/09/57/1106360957.db2.gz LATLOGGDRIOJAA-SKINQDTJSA-N 2 2 309.457 3.217 20 30 DGEDLP C[C@@H]1C[C@H]([NH2+]Cc2ccc(C#N)nc2)CC[N@@H+]1Cc1ccccc1 ZINC001256537485 1106437710 /nfs/dbraw/zinc/43/77/10/1106437710.db2.gz OQUFALDRTPFRQS-VQIMIIECSA-N 2 2 320.440 3.096 20 30 DGEDLP C[C@@H]1C[C@H]([NH2+]Cc2ccc(C#N)nc2)CC[N@H+]1Cc1ccccc1 ZINC001256537485 1106437714 /nfs/dbraw/zinc/43/77/14/1106437714.db2.gz OQUFALDRTPFRQS-VQIMIIECSA-N 2 2 320.440 3.096 20 30 DGEDLP C=CCC[C@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1OC ZINC001258726445 1106931116 /nfs/dbraw/zinc/93/11/16/1106931116.db2.gz UMVIXSZGUVYPBL-YTQUADARSA-N 2 2 302.462 3.220 20 30 DGEDLP C=CCC[C@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1OC ZINC001258726445 1106931127 /nfs/dbraw/zinc/93/11/27/1106931127.db2.gz UMVIXSZGUVYPBL-YTQUADARSA-N 2 2 302.462 3.220 20 30 DGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]Cc3cccc(O)c3)CC2)cc1 ZINC000181649541 199333175 /nfs/dbraw/zinc/33/31/75/199333175.db2.gz KNOVJHMRSJRNBK-UHFFFAOYSA-N 2 2 321.424 3.018 20 30 DGEDLP C[C@H]1C[C@@H]([NH2+]Cc2ccc(C#N)o2)CC[N@@H+]1Cc1ccccc1 ZINC000080338465 192149877 /nfs/dbraw/zinc/14/98/77/192149877.db2.gz OUAPDWXUOBGQLG-RDJZCZTQSA-N 2 2 309.413 3.294 20 30 DGEDLP C[C@H]1C[C@@H]([NH2+]Cc2ccc(C#N)o2)CC[N@H+]1Cc1ccccc1 ZINC000080338465 192149879 /nfs/dbraw/zinc/14/98/79/192149879.db2.gz OUAPDWXUOBGQLG-RDJZCZTQSA-N 2 2 309.413 3.294 20 30 DGEDLP N#Cc1ccc(F)cc1C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134868911 283152183 /nfs/dbraw/zinc/15/21/83/283152183.db2.gz OMOPXDNLSQNXLH-DNVCBOLYSA-N 2 2 313.420 3.146 20 30 DGEDLP N#Cc1ccc(F)cc1C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134868911 283152185 /nfs/dbraw/zinc/15/21/85/283152185.db2.gz OMOPXDNLSQNXLH-DNVCBOLYSA-N 2 2 313.420 3.146 20 30 DGEDLP N#Cc1ccc(F)cc1C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134868911 283152186 /nfs/dbraw/zinc/15/21/86/283152186.db2.gz OMOPXDNLSQNXLH-DNVCBOLYSA-N 2 2 313.420 3.146 20 30 DGEDLP N#Cc1ccc(F)cc1C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134868911 283152187 /nfs/dbraw/zinc/15/21/87/283152187.db2.gz OMOPXDNLSQNXLH-DNVCBOLYSA-N 2 2 313.420 3.146 20 30 DGEDLP Fc1ccc(C#CC[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000134871093 432088535 /nfs/dbraw/zinc/08/85/35/432088535.db2.gz VBDXVRCSYVBSCH-YLJYHZDGSA-N 2 2 312.432 3.126 20 30 DGEDLP Fc1ccc(C#CC[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000134871093 432088537 /nfs/dbraw/zinc/08/85/37/432088537.db2.gz VBDXVRCSYVBSCH-YLJYHZDGSA-N 2 2 312.432 3.126 20 30 DGEDLP Fc1ccc(C#CC[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000134871093 432088539 /nfs/dbraw/zinc/08/85/39/432088539.db2.gz VBDXVRCSYVBSCH-YLJYHZDGSA-N 2 2 312.432 3.126 20 30 DGEDLP Fc1ccc(C#CC[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000134871093 432088541 /nfs/dbraw/zinc/08/85/41/432088541.db2.gz VBDXVRCSYVBSCH-YLJYHZDGSA-N 2 2 312.432 3.126 20 30 DGEDLP Cc1cc(C[NH2+]Cc2cccc(-n3cc[nH+]c3)c2)ccc1C#N ZINC000443986779 239245962 /nfs/dbraw/zinc/24/59/62/239245962.db2.gz WMWDBCAKRWSGIR-UHFFFAOYSA-N 2 2 302.381 3.342 20 30 DGEDLP C=CCC[C@H](O)C[N@H+]1CCC[C@@H]1Cn1c(C)[nH+]c2ccccc21 ZINC000270092330 208148254 /nfs/dbraw/zinc/14/82/54/208148254.db2.gz AUYQTSQMTJVDRE-SJORKVTESA-N 2 2 313.445 3.136 20 30 DGEDLP C=CCC[C@H](O)C[N@@H+]1CCC[C@@H]1Cn1c(C)[nH+]c2ccccc21 ZINC000270092330 208148260 /nfs/dbraw/zinc/14/82/60/208148260.db2.gz AUYQTSQMTJVDRE-SJORKVTESA-N 2 2 313.445 3.136 20 30 DGEDLP N#Cc1ccc(C[NH2+]Cc2ccccc2-n2cc[nH+]c2)c(F)c1 ZINC000343674649 254175977 /nfs/dbraw/zinc/17/59/77/254175977.db2.gz ZOKODXCZVDSJMM-UHFFFAOYSA-N 2 2 306.344 3.173 20 30 DGEDLP C[C@@]1(C#N)CC[NH+](Cc2ccccc2C[N@H+]2CC[C@@](C)(C#N)C2)C1 ZINC000595845292 400280431 /nfs/dbraw/zinc/28/04/31/400280431.db2.gz ZNFAFGQBQRMEPV-PMACEKPBSA-N 2 2 322.456 3.158 20 30 DGEDLP C[C@@]1(C#N)CC[NH+](Cc2ccccc2C[N@@H+]2CC[C@@](C)(C#N)C2)C1 ZINC000595845292 400280440 /nfs/dbraw/zinc/28/04/40/400280440.db2.gz ZNFAFGQBQRMEPV-PMACEKPBSA-N 2 2 322.456 3.158 20 30 DGEDLP C[C@H](CCC#N)C[NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000589820780 400330332 /nfs/dbraw/zinc/33/03/32/400330332.db2.gz AYTPIACKCUULSW-CVEARBPZSA-N 2 2 300.450 3.136 20 30 DGEDLP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](Cc2cccc(C#N)n2)C1 ZINC000602450965 400466721 /nfs/dbraw/zinc/46/67/21/400466721.db2.gz MQXJHANNWWJDLP-IAGOWNOFSA-N 2 2 312.461 3.040 20 30 DGEDLP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](Cc2cccc(C#N)n2)C1 ZINC000602450965 400466722 /nfs/dbraw/zinc/46/67/22/400466722.db2.gz MQXJHANNWWJDLP-IAGOWNOFSA-N 2 2 312.461 3.040 20 30 DGEDLP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](Cc2cccc(C#N)n2)C1 ZINC000602450965 400466728 /nfs/dbraw/zinc/46/67/28/400466728.db2.gz MQXJHANNWWJDLP-IAGOWNOFSA-N 2 2 312.461 3.040 20 30 DGEDLP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](Cc2cccc(C#N)n2)C1 ZINC000602450965 400466732 /nfs/dbraw/zinc/46/67/32/400466732.db2.gz MQXJHANNWWJDLP-IAGOWNOFSA-N 2 2 312.461 3.040 20 30 DGEDLP COc1cccc([C@H](C[NH2+]C[C@H](C)CCC#N)[NH+]2CCCC2)c1 ZINC000602501398 400481448 /nfs/dbraw/zinc/48/14/48/400481448.db2.gz GZIGKQPZKQZGMV-APWZRJJASA-N 2 2 315.461 3.362 20 30 DGEDLP C[C@@H]1SCC[C@H]1[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000592380871 400643100 /nfs/dbraw/zinc/64/31/00/400643100.db2.gz SMKSLYQTDNUVMS-KBXCAEBGSA-N 2 2 315.486 3.006 20 30 DGEDLP Cc1cccn2c(C[NH2+][C@@H]3CCc4cc(C#N)ccc43)c[nH+]c12 ZINC000618742232 400680494 /nfs/dbraw/zinc/68/04/94/400680494.db2.gz UKOVLNPXVUAKCB-GOSISDBHSA-N 2 2 302.381 3.292 20 30 DGEDLP C=CC[NH+]1CCC([NH2+][C@@H]2C[C@H](OCC)C23CCCCC3)CC1 ZINC000181716821 400890027 /nfs/dbraw/zinc/89/00/27/400890027.db2.gz HQHDEUKQVJOLAE-MSOLQXFVSA-N 2 2 306.494 3.354 20 30 DGEDLP CCc1ccc(C[NH2+]C2CC[NH+](Cc3cccc(C#N)c3)CC2)o1 ZINC000593692756 400892483 /nfs/dbraw/zinc/89/24/83/400892483.db2.gz JLEPBWCQSVHUDB-UHFFFAOYSA-N 2 2 323.440 3.468 20 30 DGEDLP Cc1ccc(C[NH2+]C2CC[NH+](Cc3cccc(C#N)c3)CC2)nc1 ZINC000593693323 400893154 /nfs/dbraw/zinc/89/31/54/400893154.db2.gz ULMPVWWRPWYKDZ-UHFFFAOYSA-N 2 2 320.440 3.016 20 30 DGEDLP C[C@@H]1C[C@@H]([NH2+]CCc2ccc(C#N)cc2)C[N@@H+]1Cc1ccccc1 ZINC000594956274 401206548 /nfs/dbraw/zinc/20/65/48/401206548.db2.gz WMHSROSOPNPPAY-DYESRHJHSA-N 2 2 319.452 3.353 20 30 DGEDLP C[C@@H]1C[C@@H]([NH2+]CCc2ccc(C#N)cc2)C[N@H+]1Cc1ccccc1 ZINC000594956274 401206553 /nfs/dbraw/zinc/20/65/53/401206553.db2.gz WMHSROSOPNPPAY-DYESRHJHSA-N 2 2 319.452 3.353 20 30 DGEDLP C[C@H]1CC[N@H+](CCCOc2cccc(C#N)c2)C[C@@H]1n1cc[nH+]c1 ZINC000129631581 196063036 /nfs/dbraw/zinc/06/30/36/196063036.db2.gz HFLMGRFKGLNZEO-LPHOPBHVSA-N 2 2 324.428 3.107 20 30 DGEDLP C[C@H]1CC[N@@H+](CCCOc2cccc(C#N)c2)C[C@@H]1n1cc[nH+]c1 ZINC000129631581 196063038 /nfs/dbraw/zinc/06/30/38/196063038.db2.gz HFLMGRFKGLNZEO-LPHOPBHVSA-N 2 2 324.428 3.107 20 30 DGEDLP N#Cc1cc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)ccc1F ZINC000246940947 432183698 /nfs/dbraw/zinc/18/36/98/432183698.db2.gz UDYLFWKVAUCAEY-KXBFYZLASA-N 2 2 313.420 3.146 20 30 DGEDLP N#Cc1cc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)ccc1F ZINC000246940947 432183700 /nfs/dbraw/zinc/18/37/00/432183700.db2.gz UDYLFWKVAUCAEY-KXBFYZLASA-N 2 2 313.420 3.146 20 30 DGEDLP N#Cc1cc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)ccc1F ZINC000246940947 432183703 /nfs/dbraw/zinc/18/37/03/432183703.db2.gz UDYLFWKVAUCAEY-KXBFYZLASA-N 2 2 313.420 3.146 20 30 DGEDLP C[C@@H]1C[C@H]([NH2+]Cc2cccc(OCCCC#N)c2)C[N@@H+]1C1CC1 ZINC000151105869 432218868 /nfs/dbraw/zinc/21/88/68/432218868.db2.gz JIYODVYZZJTZIH-WBVHZDCISA-N 2 2 313.445 3.084 20 30 DGEDLP C[C@@H]1C[C@H]([NH2+]Cc2cccc(OCCCC#N)c2)C[N@H+]1C1CC1 ZINC000151105869 432218871 /nfs/dbraw/zinc/21/88/71/432218871.db2.gz JIYODVYZZJTZIH-WBVHZDCISA-N 2 2 313.445 3.084 20 30 DGEDLP C[NH+](C)[C@@H](CNC(=[NH2+])Nc1cc(F)ccc1F)c1cccs1 ZINC000262307585 228642838 /nfs/dbraw/zinc/64/28/38/228642838.db2.gz RTUQRJCNWNMGMS-ZDUSSCGKSA-N 2 2 324.400 3.056 20 30 DGEDLP Cc1cc(C)c(NC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)c(C)[nH+]1 ZINC000331328978 229029415 /nfs/dbraw/zinc/02/94/15/229029415.db2.gz NUTYGKXQJPBSRA-AWEZNQCLSA-N 2 2 306.454 3.309 20 30 DGEDLP C[C@@H]1[C@@H]([NH2+]C2CCC(C#N)(c3ccccc3)CC2)CCC[N@@H+]1C ZINC000346337558 229169241 /nfs/dbraw/zinc/16/92/41/229169241.db2.gz TUCGZEMUOWUACA-OTBHMBEGSA-N 2 2 311.473 3.463 20 30 DGEDLP C[C@@H]1[C@@H]([NH2+]C2CCC(C#N)(c3ccccc3)CC2)CCC[N@H+]1C ZINC000346337558 229169244 /nfs/dbraw/zinc/16/92/44/229169244.db2.gz TUCGZEMUOWUACA-OTBHMBEGSA-N 2 2 311.473 3.463 20 30 DGEDLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@H]1CCCCc2cc(C#N)ccc21 ZINC000360665465 267046054 /nfs/dbraw/zinc/04/60/54/267046054.db2.gz XQAGAEUHZINBOT-UAOJZALGSA-N 2 2 309.457 3.398 20 30 DGEDLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@H]1CCCCc2cc(C#N)ccc21 ZINC000360665465 267046056 /nfs/dbraw/zinc/04/60/56/267046056.db2.gz XQAGAEUHZINBOT-UAOJZALGSA-N 2 2 309.457 3.398 20 30 DGEDLP N#Cc1cccc(C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)c1 ZINC000361046152 268247697 /nfs/dbraw/zinc/24/76/97/268247697.db2.gz NUSSSMQJRBUELM-UHFFFAOYSA-N 2 2 308.429 3.447 20 30 DGEDLP N#Cc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+]2Cc2ccccc2)cc1 ZINC000114772278 431412994 /nfs/dbraw/zinc/41/29/94/431412994.db2.gz AOFJIQORRLPWOJ-FQEVSTJZSA-N 2 2 305.425 3.312 20 30 DGEDLP N#Cc1ccc(C[NH2+]C[C@@H]2CCC[N@H+]2Cc2ccccc2)cc1 ZINC000114772278 431413000 /nfs/dbraw/zinc/41/30/00/431413000.db2.gz AOFJIQORRLPWOJ-FQEVSTJZSA-N 2 2 305.425 3.312 20 30 DGEDLP CC[NH+]=C(NCCC(C)(C)C)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000261661404 280837536 /nfs/dbraw/zinc/83/75/36/280837536.db2.gz AVAYXSDTSTUVAE-JKSUJKDBSA-N 2 2 319.497 3.168 20 30 DGEDLP C[C@H](C#N)Oc1ccc(C[NH+]2CCC(n3cc[nH+]c3)CC2)cc1 ZINC000092648558 431910989 /nfs/dbraw/zinc/91/09/89/431910989.db2.gz PLCJECLFQAWXMU-OAHLLOKOSA-N 2 2 310.401 3.011 20 30 DGEDLP C=CCOc1ccc(C[NH+]2CCC([NH+]3CCCC3)CC2)cc1 ZINC000127691869 431978673 /nfs/dbraw/zinc/97/86/73/431978673.db2.gz DAPBYIDNSFUARI-UHFFFAOYSA-N 2 2 300.446 3.312 20 30 DGEDLP C=C(Br)C[N@@H+](C)CCCc1[nH+]ccn1CCC ZINC000191474428 432268971 /nfs/dbraw/zinc/26/89/71/432268971.db2.gz GFFYYLIWFCJBSS-UHFFFAOYSA-N 2 2 300.244 3.066 20 30 DGEDLP C=C(Br)C[N@H+](C)CCCc1[nH+]ccn1CCC ZINC000191474428 432268975 /nfs/dbraw/zinc/26/89/75/432268975.db2.gz GFFYYLIWFCJBSS-UHFFFAOYSA-N 2 2 300.244 3.066 20 30 DGEDLP N#Cc1csc(C[NH2+]CCC[N@@H+]2CCc3ccccc3C2)c1 ZINC000177683317 432649071 /nfs/dbraw/zinc/64/90/71/432649071.db2.gz AZGSQGVKYHMNJZ-UHFFFAOYSA-N 2 2 311.454 3.158 20 30 DGEDLP N#Cc1csc(C[NH2+]CCC[N@H+]2CCc3ccccc3C2)c1 ZINC000177683317 432649072 /nfs/dbraw/zinc/64/90/72/432649072.db2.gz AZGSQGVKYHMNJZ-UHFFFAOYSA-N 2 2 311.454 3.158 20 30 DGEDLP C[C@@H](c1cccc(C#N)c1)[N@H+](C)Cc1ncc(C[NH+](C)C)s1 ZINC000425365000 433200684 /nfs/dbraw/zinc/20/06/84/433200684.db2.gz IEOAWZWJNWVALX-ZDUSSCGKSA-N 2 2 314.458 3.269 20 30 DGEDLP C[C@@H](c1cccc(C#N)c1)[N@@H+](C)Cc1ncc(C[NH+](C)C)s1 ZINC000425365000 433200690 /nfs/dbraw/zinc/20/06/90/433200690.db2.gz IEOAWZWJNWVALX-ZDUSSCGKSA-N 2 2 314.458 3.269 20 30 DGEDLP CC[N@@H+]1CCC[C@H]1C[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000299350206 433364052 /nfs/dbraw/zinc/36/40/52/433364052.db2.gz NEUNQYVMBKKTCN-GPJFCIFZSA-N 2 2 311.473 3.464 20 30 DGEDLP CC[N@H+]1CCC[C@H]1C[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000299350206 433364060 /nfs/dbraw/zinc/36/40/60/433364060.db2.gz NEUNQYVMBKKTCN-GPJFCIFZSA-N 2 2 311.473 3.464 20 30 DGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@H]3CCC[C@H]3F)CC2)cc1 ZINC000339583267 433665647 /nfs/dbraw/zinc/66/56/47/433665647.db2.gz HVWZLKUQJRPAPX-MSOLQXFVSA-N 2 2 301.409 3.003 20 30 DGEDLP C=CCC[C@H]([NH2+]C1CC[NH+](CCCOC)CC1)c1ccco1 ZINC000286160054 434185363 /nfs/dbraw/zinc/18/53/63/434185363.db2.gz PVHZOWLLQKIULX-KRWDZBQOSA-N 2 2 306.450 3.377 20 30 DGEDLP C[NH+](CCC[N@@H+](C)Cc1ccco1)Cc1ccc(C#N)c(F)c1 ZINC000353564514 434232537 /nfs/dbraw/zinc/23/25/37/434232537.db2.gz COGYMOIOCHGDNB-UHFFFAOYSA-N 2 2 315.392 3.244 20 30 DGEDLP C[NH+](CCC[N@H+](C)Cc1ccco1)Cc1ccc(C#N)c(F)c1 ZINC000353564514 434232540 /nfs/dbraw/zinc/23/25/40/434232540.db2.gz COGYMOIOCHGDNB-UHFFFAOYSA-N 2 2 315.392 3.244 20 30 DGEDLP C[NH+](CCC[N@H+](C)Cc1ccc(C#N)c(F)c1)Cc1ccco1 ZINC000353564514 434232547 /nfs/dbraw/zinc/23/25/47/434232547.db2.gz COGYMOIOCHGDNB-UHFFFAOYSA-N 2 2 315.392 3.244 20 30 DGEDLP C[NH+](CCC[N@@H+](C)Cc1ccc(C#N)c(F)c1)Cc1ccco1 ZINC000353564514 434232554 /nfs/dbraw/zinc/23/25/54/434232554.db2.gz COGYMOIOCHGDNB-UHFFFAOYSA-N 2 2 315.392 3.244 20 30 DGEDLP Cc1cc[nH+]c(N2CC[NH+]([C@@H](C)c3cccc(C#N)c3)CC2)c1 ZINC000347861477 434277148 /nfs/dbraw/zinc/27/71/48/434277148.db2.gz ANRVKAMGXKGNAT-INIZCTEOSA-N 2 2 306.413 3.145 20 30 DGEDLP N#Cc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1[NH2+]CCc3ccccc31)CC2 ZINC000423416737 434415779 /nfs/dbraw/zinc/41/57/79/434415779.db2.gz FZJODGIDONCOCK-UXHICEINSA-N 2 2 303.409 3.022 20 30 DGEDLP Cc1cc[nH+]cc1CCC[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000367317277 434546284 /nfs/dbraw/zinc/54/62/84/434546284.db2.gz JJJCSHJUFDRKAA-UHFFFAOYSA-N 2 2 320.440 3.275 20 30 DGEDLP C[N@H+](CC1CC1)C[C@H]1CC[NH+](Cc2ccc(C#N)cc2Cl)C1 ZINC000439430264 434602016 /nfs/dbraw/zinc/60/20/16/434602016.db2.gz IAVKXEYLXLKSIC-MRXNPFEDSA-N 2 2 317.864 3.375 20 30 DGEDLP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](Cc2ccc(C#N)cc2Cl)C1 ZINC000439430264 434602021 /nfs/dbraw/zinc/60/20/21/434602021.db2.gz IAVKXEYLXLKSIC-MRXNPFEDSA-N 2 2 317.864 3.375 20 30 DGEDLP C[NH+](CC1CC1)C[C@H]1CC[N@H+](Cc2ccc(C#N)cc2Cl)C1 ZINC000439430264 434602028 /nfs/dbraw/zinc/60/20/28/434602028.db2.gz IAVKXEYLXLKSIC-MRXNPFEDSA-N 2 2 317.864 3.375 20 30 DGEDLP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2Cl)C1 ZINC000439430264 434602033 /nfs/dbraw/zinc/60/20/33/434602033.db2.gz IAVKXEYLXLKSIC-MRXNPFEDSA-N 2 2 317.864 3.375 20 30 DGEDLP C[C@H]1CC[N@H+](Cc2ccc(C#N)cc2Cl)C[C@H]1n1cc[nH+]c1 ZINC000439455755 434604878 /nfs/dbraw/zinc/60/48/78/434604878.db2.gz WCRRCZNTYZCHTC-SUMWQHHRSA-N 2 2 314.820 3.491 20 30 DGEDLP C[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2Cl)C[C@H]1n1cc[nH+]c1 ZINC000439455755 434604884 /nfs/dbraw/zinc/60/48/84/434604884.db2.gz WCRRCZNTYZCHTC-SUMWQHHRSA-N 2 2 314.820 3.491 20 30 DGEDLP C[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2Cl)C[C@H]1n1cc[nH+]c1 ZINC000439455752 434606731 /nfs/dbraw/zinc/60/67/31/434606731.db2.gz WCRRCZNTYZCHTC-CXAGYDPISA-N 2 2 314.820 3.491 20 30 DGEDLP C[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2Cl)C[C@H]1n1cc[nH+]c1 ZINC000439455752 434606735 /nfs/dbraw/zinc/60/67/35/434606735.db2.gz WCRRCZNTYZCHTC-CXAGYDPISA-N 2 2 314.820 3.491 20 30 DGEDLP Cc1cc(NC(=O)[C@@H]([NH3+])CCCC#N)ccc1Oc1cc[nH+]cc1 ZINC000424175274 434647233 /nfs/dbraw/zinc/64/72/33/434647233.db2.gz UETOSRJRVJLDDA-INIZCTEOSA-N 2 2 324.384 3.142 20 30 DGEDLP C[N@H+](Cc1ccc(C#N)cn1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000573184514 434879146 /nfs/dbraw/zinc/87/91/46/434879146.db2.gz LKFRKULJARLTFB-UHFFFAOYSA-N 2 2 320.440 3.050 20 30 DGEDLP C[N@@H+](Cc1ccc(C#N)cn1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000573184514 434879147 /nfs/dbraw/zinc/87/91/47/434879147.db2.gz LKFRKULJARLTFB-UHFFFAOYSA-N 2 2 320.440 3.050 20 30 DGEDLP Cc1cccn2c(C[NH2+]C3(c4cccc(C#N)c4)CC3)c[nH+]c12 ZINC000556409265 435006407 /nfs/dbraw/zinc/00/64/07/435006407.db2.gz BBNGQSVXSBVNLN-UHFFFAOYSA-N 2 2 302.381 3.293 20 30 DGEDLP C[C@H]1C[C@@H]([NH2+]CCc2cccc(C#N)c2)C[N@@H+]1Cc1ccccc1 ZINC000466420441 435076240 /nfs/dbraw/zinc/07/62/40/435076240.db2.gz AZZXIYWEMQCILY-LAUBAEHRSA-N 2 2 319.452 3.353 20 30 DGEDLP C[C@H]1C[C@@H]([NH2+]CCc2cccc(C#N)c2)C[N@H+]1Cc1ccccc1 ZINC000466420441 435076244 /nfs/dbraw/zinc/07/62/44/435076244.db2.gz AZZXIYWEMQCILY-LAUBAEHRSA-N 2 2 319.452 3.353 20 30 DGEDLP C=CC[NH+]1CCC([NH2+]Cc2cn(-c3cccc(C)c3)nc2C)CC1 ZINC000651700858 435795146 /nfs/dbraw/zinc/79/51/46/435795146.db2.gz XEJIGFIZKPEWEU-UHFFFAOYSA-N 2 2 324.472 3.229 20 30 DGEDLP C=CC[NH+]1CCC([NH2+]C2CCC(C(=O)OC(C)(C)C)CC2)CC1 ZINC000092565255 332133734 /nfs/dbraw/zinc/13/37/34/332133734.db2.gz RCNHTMUSCWLPKU-UHFFFAOYSA-N 2 2 322.493 3.127 20 30 DGEDLP C=CCCC[C@@H](C)[NH2+]C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000562990769 333020676 /nfs/dbraw/zinc/02/06/76/333020676.db2.gz FRAKIQBOMBQLKB-SJORKVTESA-N 2 2 315.461 3.348 20 30 DGEDLP C=CCOc1cccc(C[N@@H+]2CCCC[C@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000582904581 337213699 /nfs/dbraw/zinc/21/36/99/337213699.db2.gz AOHWFRYBVMZFNQ-OALUTQOASA-N 2 2 300.446 3.358 20 30 DGEDLP C=CCOc1cccc(C[N@H+]2CCCC[C@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000582904581 337213700 /nfs/dbraw/zinc/21/37/00/337213700.db2.gz AOHWFRYBVMZFNQ-OALUTQOASA-N 2 2 300.446 3.358 20 30 DGEDLP C=CCC[C@@H](CO)[NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000449694723 534791120 /nfs/dbraw/zinc/79/11/20/534791120.db2.gz CFCQOGXVLHVPCF-KRWDZBQOSA-N 2 2 322.880 3.221 20 30 DGEDLP CC(C)(CCC#N)C[NH2+]CC1([NH+]2CCSCC2)CCCC1 ZINC000174266941 526997637 /nfs/dbraw/zinc/99/76/37/526997637.db2.gz QGYLNPAKLGLHCU-UHFFFAOYSA-N 2 2 309.523 3.268 20 30 DGEDLP CC(C)(CCC#N)C[NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000174305014 526999536 /nfs/dbraw/zinc/99/95/36/526999536.db2.gz GGDZRZWSBPIYNH-UHFFFAOYSA-N 2 2 300.381 3.431 20 30 DGEDLP C=CCC[C@H]([NH2+]C[C@@H]1C[N@H+](CC(C)C)CCO1)c1ccco1 ZINC000353445024 527484965 /nfs/dbraw/zinc/48/49/65/527484965.db2.gz WBISJSPOVPXDDC-SJORKVTESA-N 2 2 306.450 3.233 20 30 DGEDLP C=CCC[C@H]([NH2+]C[C@@H]1C[N@@H+](CC(C)C)CCO1)c1ccco1 ZINC000353445024 527484968 /nfs/dbraw/zinc/48/49/68/527484968.db2.gz WBISJSPOVPXDDC-SJORKVTESA-N 2 2 306.450 3.233 20 30 DGEDLP CC[NH+]1CCN(c2ccc([NH2+][C@@H]3CC[C@H](C#N)C3)c(C)c2)CC1 ZINC000442872842 527708623 /nfs/dbraw/zinc/70/86/23/527708623.db2.gz OAIPUIKUBWSEHY-DLBZAZTESA-N 2 2 312.461 3.241 20 30 DGEDLP CC(C)[C@H](C[NH2+][C@@H]1CC[C@H](C#N)C1)[N@@H+]1CCc2ccccc2C1 ZINC000442795024 529015610 /nfs/dbraw/zinc/01/56/10/529015610.db2.gz UHGHKNTVBSGPIB-DBVUQKKJSA-N 2 2 311.473 3.351 20 30 DGEDLP CC(C)[C@H](C[NH2+][C@@H]1CC[C@H](C#N)C1)[N@H+]1CCc2ccccc2C1 ZINC000442795024 529015616 /nfs/dbraw/zinc/01/56/16/529015616.db2.gz UHGHKNTVBSGPIB-DBVUQKKJSA-N 2 2 311.473 3.351 20 30 DGEDLP CC[C@@H]([NH2+]C[C@]1([NH+](C)C)CCSC1)c1cccc(C#N)c1 ZINC000902831838 619681922 /nfs/dbraw/zinc/68/19/22/619681922.db2.gz OEFMXQUFHZSWGM-IAGOWNOFSA-N 2 2 303.475 3.036 20 30 DGEDLP C=CCCC[C@H]([NH3+])c1nc(-c2cccc(Cn3cc[nH+]c3)c2)no1 ZINC000904559412 619932381 /nfs/dbraw/zinc/93/23/81/619932381.db2.gz YCFISUXCZCTBDL-INIZCTEOSA-N 2 2 323.400 3.338 20 30 DGEDLP C[C@@H]([NH2+]C[C@H]1CC[N@@H+]1C1CCCC1)c1ccc(OCC#N)cc1 ZINC000858531278 621202054 /nfs/dbraw/zinc/20/20/54/621202054.db2.gz CIJAAJMQTWRHAV-CRAIPNDOSA-N 2 2 313.445 3.256 20 30 DGEDLP C[C@@H]([NH2+]C[C@H]1CC[N@H+]1C1CCCC1)c1ccc(OCC#N)cc1 ZINC000858531278 621202057 /nfs/dbraw/zinc/20/20/57/621202057.db2.gz CIJAAJMQTWRHAV-CRAIPNDOSA-N 2 2 313.445 3.256 20 30 DGEDLP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)c2cccc(C#N)c2O)C1 ZINC000866308026 622090295 /nfs/dbraw/zinc/09/02/95/622090295.db2.gz OQVXLOGVVGONDA-JKSUJKDBSA-N 2 2 315.461 3.282 20 30 DGEDLP C[C@@H]([NH2+]CCCCC[NH+]1CCCC1)c1cccc(C#N)c1O ZINC000866362199 622102997 /nfs/dbraw/zinc/10/29/97/622102997.db2.gz BUHGRFFIJGPZAD-OAHLLOKOSA-N 2 2 301.434 3.181 20 30 DGEDLP C[C@H]([NH2+]CC1CC[NH+](CC2CC2)CC1)c1cccc(C#N)c1O ZINC000866394374 622110527 /nfs/dbraw/zinc/11/05/27/622110527.db2.gz WWQZCRLMNCGQRJ-AWEZNQCLSA-N 2 2 313.445 3.036 20 30 DGEDLP CSCC[C@H](C)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000776164452 623386434 /nfs/dbraw/zinc/38/64/34/623386434.db2.gz UDNSLGGUTNEQJZ-HNNXBMFYSA-N 2 2 317.502 3.254 20 30 DGEDLP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)c1ccc(F)cc1OC(F)F ZINC000815651958 627695145 /nfs/dbraw/zinc/69/51/45/627695145.db2.gz JZTGGLXWXNJZKV-LBPRGKRZSA-N 2 2 314.351 3.033 20 30 DGEDLP C#CC[N@H+](C)CCC[NH2+][C@@H](C)c1ccc(F)cc1OC(F)F ZINC000815651958 627695147 /nfs/dbraw/zinc/69/51/47/627695147.db2.gz JZTGGLXWXNJZKV-LBPRGKRZSA-N 2 2 314.351 3.033 20 30 DGEDLP CC[C@@H]([NH2+]CCCCn1cc[nH+]c1C)c1cccc(C#N)c1O ZINC000925132158 627711856 /nfs/dbraw/zinc/71/18/56/627711856.db2.gz GGUDNLLYPJGOFZ-QGZVFWFLSA-N 2 2 312.417 3.290 20 30 DGEDLP C=CCc1cc(C[NH2+][C@@H](C)[C@@H]2CCCC[NH2+]2)cc(OC)c1OC ZINC000817909358 627959451 /nfs/dbraw/zinc/95/94/51/627959451.db2.gz OKPHOAZGJGOPEH-YOEHRIQHSA-N 2 2 318.461 3.053 20 30 DGEDLP N#CC1(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC000926874918 627967962 /nfs/dbraw/zinc/96/79/62/627967962.db2.gz VKCNCOYFXNCNGG-YQQQUEKLSA-N 2 2 309.457 3.465 20 30 DGEDLP N#CC1(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC000926874918 627967967 /nfs/dbraw/zinc/96/79/67/627967967.db2.gz VKCNCOYFXNCNGG-YQQQUEKLSA-N 2 2 309.457 3.465 20 30 DGEDLP C[NH+](C)c1ccc(N2CCC([NH2+]CC3(C#N)CCC3)CC2)cc1 ZINC000841898906 630474786 /nfs/dbraw/zinc/47/47/86/630474786.db2.gz QFZRFLALMOOHOC-UHFFFAOYSA-N 2 2 312.461 3.005 20 30 DGEDLP C[C@H](C#N)Oc1ccc(C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)cc1 ZINC000848575898 631701301 /nfs/dbraw/zinc/70/13/01/631701301.db2.gz YAWOFIGAKGOGFU-ATZDWAIDSA-N 2 2 313.445 3.084 20 30 DGEDLP C[C@H](C#N)Oc1ccc(C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)cc1 ZINC000848575898 631701308 /nfs/dbraw/zinc/70/13/08/631701308.db2.gz YAWOFIGAKGOGFU-ATZDWAIDSA-N 2 2 313.445 3.084 20 30 DGEDLP C[C@H](C#N)Oc1ccc(C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000848575900 631701385 /nfs/dbraw/zinc/70/13/85/631701385.db2.gz YAWOFIGAKGOGFU-LZQZEXGQSA-N 2 2 313.445 3.084 20 30 DGEDLP C[C@H](C#N)Oc1ccc(C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)cc1 ZINC000848575900 631701388 /nfs/dbraw/zinc/70/13/88/631701388.db2.gz YAWOFIGAKGOGFU-LZQZEXGQSA-N 2 2 313.445 3.084 20 30 DGEDLP CCCCCCCCNC(=[NH2+])NCCc1cn2c([nH+]1)CCCC2 ZINC000849070689 631826147 /nfs/dbraw/zinc/82/61/47/631826147.db2.gz UCZILPRQJAHXML-UHFFFAOYSA-N 2 2 319.497 3.236 20 30 DGEDLP C=CC[NH+]1CCC([NH2+][C@H](C)c2ccc3c(c2)CCCO3)CC1 ZINC000850432367 632151215 /nfs/dbraw/zinc/15/12/15/632151215.db2.gz ALMPMPLVRFUPHR-OAHLLOKOSA-N 2 2 300.446 3.313 20 30 DGEDLP CCc1cccc(NC(=[NH2+])NC[C@@H](c2ccccc2)[NH+](C)C)c1 ZINC000303700595 657557019 /nfs/dbraw/zinc/55/70/19/657557019.db2.gz HPPHLDNVKDZOKW-SFHVURJKSA-N 2 2 310.445 3.279 20 30 DGEDLP CC[NH+](CC)[C@@H](CNC(=[NH2+])N1CCCCCC1)c1ccsc1 ZINC000305049371 657668971 /nfs/dbraw/zinc/66/89/71/657668971.db2.gz GQSZHYDSRMZZPX-INIZCTEOSA-N 2 2 322.522 3.322 20 30 DGEDLP Cc1cc(F)cc(NC2CC[NH+](Cc3cccc(C#N)c3)CC2)[nH+]1 ZINC001354227096 1180751446 /nfs/dbraw/zinc/75/14/46/1180751446.db2.gz KPHNGFLELJYPMM-UHFFFAOYSA-N 2 2 324.403 3.477 20 30 DGEDLP C=CCOc1ccc(C[NH2+][C@H](C)Cn2cc[nH+]c2)cc1Cl ZINC001461037978 1182760177 /nfs/dbraw/zinc/76/01/77/1182760177.db2.gz DKOGVZSNVUXCLM-CYBMUJFWSA-N 2 2 305.809 3.280 20 30 DGEDLP C#CC[N@H+](C[C@@H]1C[NH+](Cc2ccccc2)CCCO1)C(C)(C)C ZINC001473808523 1183806317 /nfs/dbraw/zinc/80/63/17/1183806317.db2.gz GBVDOPYKKBRDJD-IBGZPJMESA-N 2 2 314.473 3.011 20 30 DGEDLP C#CC[N@@H+](C[C@@H]1C[NH+](Cc2ccccc2)CCCO1)C(C)(C)C ZINC001473808523 1183806320 /nfs/dbraw/zinc/80/63/20/1183806320.db2.gz GBVDOPYKKBRDJD-IBGZPJMESA-N 2 2 314.473 3.011 20 30 DGEDLP C#CC[NH+](C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)C(C)(C)C ZINC001473808523 1183806322 /nfs/dbraw/zinc/80/63/22/1183806322.db2.gz GBVDOPYKKBRDJD-IBGZPJMESA-N 2 2 314.473 3.011 20 30 DGEDLP C#CC[NH+](C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)C(C)(C)C ZINC001473808523 1183806325 /nfs/dbraw/zinc/80/63/25/1183806325.db2.gz GBVDOPYKKBRDJD-IBGZPJMESA-N 2 2 314.473 3.011 20 30 DGEDLP C=CCC[NH2+]CC[C@H]1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001501596272 1185910683 /nfs/dbraw/zinc/91/06/83/1185910683.db2.gz AGVDMXJZULSMRG-KRWDZBQOSA-N 2 2 315.461 3.025 20 30 DGEDLP N#Cc1ccc(C[NH2+][C@H](Cn2cc[nH+]c2)c2ccccc2)s1 ZINC001654623095 1195823759 /nfs/dbraw/zinc/82/37/59/1195823759.db2.gz LOFWLOXWGYSABO-QGZVFWFLSA-N 2 2 308.410 3.347 20 30 DGEDLP C=CC[NH+](CC=C)[C@H](C[NH2+][C@H]1CCO[C@@H](C(C)C)C1)C(C)C ZINC001655261485 1195897162 /nfs/dbraw/zinc/89/71/62/1195897162.db2.gz JRCMXTZJQUNWPN-IPMKNSEASA-N 2 2 308.510 3.478 20 30 DGEDLP C=CC[NH+](CC=C)[C@H](C[NH2+][C@@H]1CCO[C@@H](C(C)C)C1)C(C)C ZINC001655261484 1195897767 /nfs/dbraw/zinc/89/77/67/1195897767.db2.gz JRCMXTZJQUNWPN-GUDVDZBRSA-N 2 2 308.510 3.478 20 30 DGEDLP C=C(C)CC[NH2+][C@H]1C[C@H](CNC(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001656213049 1196018515 /nfs/dbraw/zinc/01/85/15/1196018515.db2.gz JGNGTCPEABJJPB-QAQDUYKDSA-N 2 2 315.461 3.071 20 30 DGEDLP C=C(C)CC[NH2+]C1(CNC(=O)c2c(C)cc(C)[nH+]c2C)CCC1 ZINC001673193809 1197642582 /nfs/dbraw/zinc/64/25/82/1197642582.db2.gz PMDXPPICSVBKCC-UHFFFAOYSA-N 2 2 315.461 3.215 20 30 DGEDLP C=CCCC[N@@H+](C)C[C@H](C)NC(=O)c1c(C)cc(C)[nH+]c1C ZINC001733047281 1204999014 /nfs/dbraw/zinc/99/90/14/1204999014.db2.gz VSALUKGDGATFBX-HNNXBMFYSA-N 2 2 303.450 3.023 20 30 DGEDLP C=CCCC[N@H+](C)C[C@H](C)NC(=O)c1c(C)cc(C)[nH+]c1C ZINC001733047281 1204999025 /nfs/dbraw/zinc/99/90/25/1204999025.db2.gz VSALUKGDGATFBX-HNNXBMFYSA-N 2 2 303.450 3.023 20 30 DGEDLP N#Cc1c[nH]c2cc[nH+]c(N3CCCC[C@@H]3CC[NH+]3CCCC3)c12 ZINC001165049087 721974186 /nfs/dbraw/zinc/97/41/86/721974186.db2.gz MWQUDEIQFZXVME-MRXNPFEDSA-N 2 2 323.444 3.279 20 30 DGEDLP CC(C)[Si](C#C[NH2+][C@@H](C)[C@H]1C[NH2+]CCO1)(C(C)C)C(C)C ZINC001170568421 1082686007 /nfs/dbraw/zinc/68/60/07/1082686007.db2.gz ONCFGSCXBBWTMN-DLBZAZTESA-N 2 2 310.558 3.132 20 30 DGEDLP C=CCC[C@@H](C)[N@H+](CC)CCNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001480988116 1083063293 /nfs/dbraw/zinc/06/32/93/1083063293.db2.gz NPKQYTMVECLQRS-MRXNPFEDSA-N 2 2 317.477 3.413 20 30 DGEDLP C=CCC[C@@H](C)[N@@H+](CC)CCNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001480988116 1083063296 /nfs/dbraw/zinc/06/32/96/1083063296.db2.gz NPKQYTMVECLQRS-MRXNPFEDSA-N 2 2 317.477 3.413 20 30 DGEDLP CCCCCCC[NH2+][C@H](C)C[C@@H](C)NC(=O)CCc1c[nH]c[nH+]1 ZINC001134548079 1083302722 /nfs/dbraw/zinc/30/27/22/1083302722.db2.gz CWGHKVBKZKONQM-HZPDHXFCSA-N 2 2 322.497 3.186 20 30 DGEDLP CCCCCCC[NH2+][C@H](C)C[C@@H](C)NC(=O)CCc1c[nH+]c[nH]1 ZINC001134548079 1083302724 /nfs/dbraw/zinc/30/27/24/1083302724.db2.gz CWGHKVBKZKONQM-HZPDHXFCSA-N 2 2 322.497 3.186 20 30 DGEDLP C=C(C)C[N@@H+](CC)[C@H](C)CNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001154403558 1088597826 /nfs/dbraw/zinc/59/78/26/1088597826.db2.gz JULZPELTWXUZSB-OAHLLOKOSA-N 2 2 303.450 3.023 20 30 DGEDLP C=C(C)C[N@H+](CC)[C@H](C)CNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001154403558 1088597841 /nfs/dbraw/zinc/59/78/41/1088597841.db2.gz JULZPELTWXUZSB-OAHLLOKOSA-N 2 2 303.450 3.023 20 30 DGEDLP N#CCc1cc[nH+]c(N(CC2CCCC2)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001162187406 1089599198 /nfs/dbraw/zinc/59/91/98/1089599198.db2.gz QAHKHRAPGFSDTB-IYARVYRRSA-N 2 2 312.461 3.414 20 30 DGEDLP C=CCC[C@@H](C)[NH2+]CCCNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001162910040 1090019957 /nfs/dbraw/zinc/01/99/57/1090019957.db2.gz HTLLZAQFTNYRIF-CQSZACIVSA-N 2 2 303.450 3.071 20 30 DGEDLP C=C(C)CC[NH2+]CCC[C@@H](C)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001485726545 1090251271 /nfs/dbraw/zinc/25/12/71/1090251271.db2.gz DZXBPSNTSACAHZ-CQSZACIVSA-N 2 2 314.433 3.017 20 30 DGEDLP Cc1c[nH+]ccc1O[C@@H]1CC[N@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC001139531062 1091589641 /nfs/dbraw/zinc/58/96/41/1091589641.db2.gz JYRIQJAOQXIHSC-MRXNPFEDSA-N 2 2 311.360 3.054 20 30 DGEDLP Cc1c[nH+]ccc1O[C@@H]1CC[N@@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC001139531062 1091589651 /nfs/dbraw/zinc/58/96/51/1091589651.db2.gz JYRIQJAOQXIHSC-MRXNPFEDSA-N 2 2 311.360 3.054 20 30 DGEDLP C=CCCC[NH+]1CC(c2[nH+]cn3cc(Br)ccc23)C1 ZINC001209162502 1092677851 /nfs/dbraw/zinc/67/78/51/1092677851.db2.gz HEZAQSHNSLVJSL-UHFFFAOYSA-N 2 2 320.234 3.462 20 30 DGEDLP C=CCCCCC[N@@H+]1CCc2onc(Cn3cc[nH+]c3)c2C1 ZINC001209423327 1092767246 /nfs/dbraw/zinc/76/72/46/1092767246.db2.gz SHTZZCXIWQVKME-UHFFFAOYSA-N 2 2 300.406 3.024 20 30 DGEDLP C=CCCCCC[N@H+]1CCc2onc(Cn3cc[nH+]c3)c2C1 ZINC001209423327 1092767255 /nfs/dbraw/zinc/76/72/55/1092767255.db2.gz SHTZZCXIWQVKME-UHFFFAOYSA-N 2 2 300.406 3.024 20 30 DGEDLP C=C(C)C[NH2+][C@@H](C)C[C@H](C)NC(=O)c1c(C)cc(C)[nH+]c1C ZINC001135042683 1094372969 /nfs/dbraw/zinc/37/29/69/1094372969.db2.gz CDDGAWYFNLRUNC-ZFWWWQNUSA-N 2 2 303.450 3.069 20 30 DGEDLP Cc1cc(C#N)cc(C)c1-c1ccccc1C[N@@H+]1CC[C@H]([NH3+])C1 ZINC001222666505 1095713288 /nfs/dbraw/zinc/71/32/88/1095713288.db2.gz GDTAYQKJBGJWKM-SFHVURJKSA-N 2 2 305.425 3.375 20 30 DGEDLP Cc1cc(C#N)cc(C)c1-c1ccccc1C[N@H+]1CC[C@H]([NH3+])C1 ZINC001222666505 1095713293 /nfs/dbraw/zinc/71/32/93/1095713293.db2.gz GDTAYQKJBGJWKM-SFHVURJKSA-N 2 2 305.425 3.375 20 30 DGEDLP C[C@@H](Cc1ccc(C#N)cc1)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001172296111 1097109000 /nfs/dbraw/zinc/10/90/00/1097109000.db2.gz WRCROUDYKUVCNI-INIZCTEOSA-N 2 2 316.408 3.465 20 30 DGEDLP C=CCOC1CCC(n2c[nH+]c(C)c2CSCC[NH3+])CC1 ZINC001173316215 1097427742 /nfs/dbraw/zinc/42/77/42/1097427742.db2.gz YMBUWNCETGDYOR-UHFFFAOYSA-N 2 2 309.479 3.070 20 30 DGEDLP C#Cc1cccc(C[N@@H+]2C[C@H]3C[C@H](C[NH+](Cc4ccco4)C3)C2)c1 ZINC001231657107 1097805282 /nfs/dbraw/zinc/80/52/82/1097805282.db2.gz MQFNZLRLPJLUJB-BGYRXZFFSA-N 2 2 320.436 3.215 20 30 DGEDLP C#Cc1cccc(C[N@H+]2C[C@H]3C[C@H](C[NH+](Cc4ccco4)C3)C2)c1 ZINC001231657107 1097805288 /nfs/dbraw/zinc/80/52/88/1097805288.db2.gz MQFNZLRLPJLUJB-BGYRXZFFSA-N 2 2 320.436 3.215 20 30 DGEDLP C#Cc1cccc(C[NH+]2C[C@H]3C[C@@H](C2)C[N@H+](Cc2ccco2)C3)c1 ZINC001231657107 1097805297 /nfs/dbraw/zinc/80/52/97/1097805297.db2.gz MQFNZLRLPJLUJB-BGYRXZFFSA-N 2 2 320.436 3.215 20 30 DGEDLP C#Cc1cccc(C[NH+]2C[C@H]3C[C@@H](C2)C[N@@H+](Cc2ccco2)C3)c1 ZINC001231657107 1097805306 /nfs/dbraw/zinc/80/53/06/1097805306.db2.gz MQFNZLRLPJLUJB-BGYRXZFFSA-N 2 2 320.436 3.215 20 30 DGEDLP CC1CC[NH+](CC[C@@H]2CCC[N@@H+]2Cc2ccc(C#N)o2)CC1 ZINC001175362149 1098025367 /nfs/dbraw/zinc/02/53/67/1098025367.db2.gz RDIOLNMAEVCLIV-INIZCTEOSA-N 2 2 301.434 3.238 20 30 DGEDLP CC1CC[NH+](CC[C@@H]2CCC[N@H+]2Cc2ccc(C#N)o2)CC1 ZINC001175362149 1098025372 /nfs/dbraw/zinc/02/53/72/1098025372.db2.gz RDIOLNMAEVCLIV-INIZCTEOSA-N 2 2 301.434 3.238 20 30 DGEDLP C=C(C)CC[NH2+]CCCC[C@@H](C)NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001175502447 1098074101 /nfs/dbraw/zinc/07/41/01/1098074101.db2.gz JDSYZLCCCUNIHG-IAGOWNOFSA-N 2 2 320.481 3.065 20 30 DGEDLP C[NH+]1CCC([N@H+](Cc2ccc(C#N)s2)C2CCCC2)CC1 ZINC001232845464 1098151685 /nfs/dbraw/zinc/15/16/85/1098151685.db2.gz YKWOKQAWZIKXNT-UHFFFAOYSA-N 2 2 303.475 3.459 20 30 DGEDLP C[NH+]1CCC([N@@H+](Cc2ccc(C#N)s2)C2CCCC2)CC1 ZINC001232845464 1098151691 /nfs/dbraw/zinc/15/16/91/1098151691.db2.gz YKWOKQAWZIKXNT-UHFFFAOYSA-N 2 2 303.475 3.459 20 30 DGEDLP C[N@H+](Cc1cc(C#N)cs1)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001176555020 1098385272 /nfs/dbraw/zinc/38/52/72/1098385272.db2.gz ICZKWJZTNIGURB-UHFFFAOYSA-N 2 2 308.410 3.437 20 30 DGEDLP C[N@@H+](Cc1cc(C#N)cs1)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001176555020 1098385277 /nfs/dbraw/zinc/38/52/77/1098385277.db2.gz ICZKWJZTNIGURB-UHFFFAOYSA-N 2 2 308.410 3.437 20 30 DGEDLP N#Cc1ccc(Oc2ccc(C[N@H+]3C[C@@H]4CC[C@]4([NH3+])C3)cc2)cc1 ZINC001235991436 1099315125 /nfs/dbraw/zinc/31/51/25/1099315125.db2.gz LXBDMMQMJGRYNX-PXNSSMCTSA-N 2 2 319.408 3.274 20 30 DGEDLP N#Cc1ccc(Oc2ccc(C[N@@H+]3C[C@@H]4CC[C@]4([NH3+])C3)cc2)cc1 ZINC001235991436 1099315137 /nfs/dbraw/zinc/31/51/37/1099315137.db2.gz LXBDMMQMJGRYNX-PXNSSMCTSA-N 2 2 319.408 3.274 20 30 DGEDLP N#Cc1ccc(C2CC[NH+](C[C@H]([NH3+])Cc3ccccc3)CC2)cc1 ZINC001236180898 1099450436 /nfs/dbraw/zinc/45/04/36/1099450436.db2.gz BHYWVMBIDWUAPD-OAQYLSRUSA-N 2 2 319.452 3.308 20 30 DGEDLP CN(c1ccc(C#N)cc1)c1ccc(C[N@@H+]2CCC[C@@H]2C[NH3+])cc1 ZINC001236245351 1099498771 /nfs/dbraw/zinc/49/87/71/1099498771.db2.gz OCIXPMUDOSMTDO-HXUWFJFHSA-N 2 2 320.440 3.249 20 30 DGEDLP CN(c1ccc(C#N)cc1)c1ccc(C[N@H+]2CCC[C@@H]2C[NH3+])cc1 ZINC001236245351 1099498777 /nfs/dbraw/zinc/49/87/77/1099498777.db2.gz OCIXPMUDOSMTDO-HXUWFJFHSA-N 2 2 320.440 3.249 20 30 DGEDLP COc1cc(C[N@H+]([C@@H]2CC[NH2+]C2)C2CCCCC2)ccc1C#N ZINC001236664410 1099732980 /nfs/dbraw/zinc/73/29/80/1099732980.db2.gz SNVVMKJABSKBFB-GOSISDBHSA-N 2 2 313.445 3.063 20 30 DGEDLP COc1cc(C[N@@H+]([C@@H]2CC[NH2+]C2)C2CCCCC2)ccc1C#N ZINC001236664410 1099732990 /nfs/dbraw/zinc/73/29/90/1099732990.db2.gz SNVVMKJABSKBFB-GOSISDBHSA-N 2 2 313.445 3.063 20 30 DGEDLP C=C(C)CC[N@@H+](C)[C@@H]1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001191450269 1100461118 /nfs/dbraw/zinc/46/11/18/1100461118.db2.gz NFAXBZFOEPSBPD-QGZVFWFLSA-N 2 2 315.461 3.119 20 30 DGEDLP C=C(C)CC[N@H+](C)[C@@H]1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001191450269 1100461122 /nfs/dbraw/zinc/46/11/22/1100461122.db2.gz NFAXBZFOEPSBPD-QGZVFWFLSA-N 2 2 315.461 3.119 20 30 DGEDLP Cc1cc(-c2ccc(OC3CC[NH2+]CC3)c(C#N)c2)cc(C)[nH+]1 ZINC001241993341 1101840584 /nfs/dbraw/zinc/84/05/84/1101840584.db2.gz KDERCCRETVQWPD-UHFFFAOYSA-N 2 2 307.397 3.368 20 30 DGEDLP N#Cc1cc(Cl)cc(-c2ccc(C[N@H+]3CC[C@H]([NH3+])C3)cc2)c1 ZINC001242570147 1102217049 /nfs/dbraw/zinc/21/70/49/1102217049.db2.gz BWMCBDYVQBNHNN-SFHVURJKSA-N 2 2 311.816 3.412 20 30 DGEDLP N#Cc1cc(Cl)cc(-c2ccc(C[N@@H+]3CC[C@H]([NH3+])C3)cc2)c1 ZINC001242570147 1102217059 /nfs/dbraw/zinc/21/70/59/1102217059.db2.gz BWMCBDYVQBNHNN-SFHVURJKSA-N 2 2 311.816 3.412 20 30 DGEDLP N#CC1(c2ccccc2)CC([NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)C1 ZINC001329115888 1104159000 /nfs/dbraw/zinc/15/90/00/1104159000.db2.gz ZLGVKLHFLSIIIO-FUFFSDJGSA-N 2 2 309.457 3.217 20 30 DGEDLP N#CC1(c2ccccc2)CC([NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)C1 ZINC001329115888 1104159003 /nfs/dbraw/zinc/15/90/03/1104159003.db2.gz ZLGVKLHFLSIIIO-FUFFSDJGSA-N 2 2 309.457 3.217 20 30 DGEDLP CCCCCCCC[C@H](O)C[NH2+]C[C@]1(F)CCCC[NH2+]C1 ZINC001245993726 1104349351 /nfs/dbraw/zinc/34/93/51/1104349351.db2.gz OXEJNLGEKGZQKQ-IRXDYDNUSA-N 2 2 302.478 3.169 20 30 DGEDLP CCCCCCCCCC[C@H](O)C[N@@H+]1CC[C@@](F)(C[NH3+])C1 ZINC001246065570 1104365053 /nfs/dbraw/zinc/36/50/53/1104365053.db2.gz WTECGICDVRIBKK-DLBZAZTESA-N 2 2 302.478 3.251 20 30 DGEDLP CCCCCCCCCC[C@H](O)C[N@H+]1CC[C@@](F)(C[NH3+])C1 ZINC001246065570 1104365064 /nfs/dbraw/zinc/36/50/64/1104365064.db2.gz WTECGICDVRIBKK-DLBZAZTESA-N 2 2 302.478 3.251 20 30 DGEDLP C=CCCCC[NH+]1CCC2(C[NH+](Cc3nccn3CC)C2)CC1 ZINC001274975036 1104563739 /nfs/dbraw/zinc/56/37/39/1104563739.db2.gz VCFMVKCFCVJOLE-UHFFFAOYSA-N 2 2 316.493 3.157 20 30 DGEDLP C#CCCC[NH+]1CC2(C1)CC[N@H+](CCc1c[nH]c3ccccc13)C2 ZINC001275976047 1104976219 /nfs/dbraw/zinc/97/62/19/1104976219.db2.gz XSGMONDMRYCXNE-UHFFFAOYSA-N 2 2 321.468 3.132 20 30 DGEDLP C#CCCC[NH+]1CC2(C1)CC[N@@H+](CCc1c[nH]c3ccccc13)C2 ZINC001275976047 1104976222 /nfs/dbraw/zinc/97/62/22/1104976222.db2.gz XSGMONDMRYCXNE-UHFFFAOYSA-N 2 2 321.468 3.132 20 30 DGEDLP C=C(C)C[NH2+]C[C@@H](CCCC)NC(=O)c1c(C)cc(C)[nH+]c1C ZINC001276261171 1105066469 /nfs/dbraw/zinc/06/64/69/1105066469.db2.gz APCQSJQRCSPSAY-QGZVFWFLSA-N 2 2 317.477 3.461 20 30 DGEDLP N#C[C@H]1CC[C@H]([NH+]2CCC([NH3+])(c3ccccc3Cl)CC2)C1 ZINC001254646990 1106121876 /nfs/dbraw/zinc/12/18/76/1106121876.db2.gz DRNJYPRHWVBDSJ-KBPBESRZSA-N 2 2 303.837 3.282 20 30 DGEDLP N#C[C@H]1CC[C@@H]([NH+]2CCC([NH3+])(c3cccc(Cl)c3)CC2)C1 ZINC001254646711 1106121929 /nfs/dbraw/zinc/12/19/29/1106121929.db2.gz CHHATYKYDVTWDT-XJKSGUPXSA-N 2 2 303.837 3.282 20 30 DGEDLP Cc1[nH+]cn(C2CCC(c3ccc(C#N)cc3)CC2)c1CC[NH3+] ZINC001257010731 1106523816 /nfs/dbraw/zinc/52/38/16/1106523816.db2.gz GBSDVYOPNGHADX-UHFFFAOYSA-N 2 2 308.429 3.463 20 30 DGEDLP C=C(C)CC[NH2+][C@H](CNC(=O)c1c(C)cc(C)[nH+]c1C)C(C)C ZINC001319927448 1108698041 /nfs/dbraw/zinc/69/80/41/1108698041.db2.gz FWHIGKOBYLRPFA-QGZVFWFLSA-N 2 2 317.477 3.317 20 30 DGEDLP C=C(C)CC[NH2+][C@@H](C)[C@@H](C)NC(=O)c1c(C)cc(C)[nH+]c1C ZINC001282177566 1109463278 /nfs/dbraw/zinc/46/32/78/1109463278.db2.gz WYKXOKVCGLUKOM-LSDHHAIUSA-N 2 2 303.450 3.069 20 30 DGEDLP C=C(C)C[NH2+]C[C@@H](NC(=O)c1c(C)cc(C)[nH+]c1C)C(C)(C)C ZINC001284607237 1109823722 /nfs/dbraw/zinc/82/37/22/1109823722.db2.gz DMJKGBGDDHHHHN-MRXNPFEDSA-N 2 2 317.477 3.317 20 30 DGEDLP Cn1c[nH+]cc1C1CC[NH+](Cc2ccc(C#N)cc2Cl)CC1 ZINC001308165883 1111388400 /nfs/dbraw/zinc/38/84/00/1111388400.db2.gz GRZMUKFQNKJIFB-UHFFFAOYSA-N 2 2 314.820 3.325 20 30 DGEDLP C=CC[NH+]1CCC([NH2+]Cc2ccc(OC(F)F)c(F)c2)CC1 ZINC001308247735 1111404776 /nfs/dbraw/zinc/40/47/76/1111404776.db2.gz XQZSHOURSKIMHX-UHFFFAOYSA-N 2 2 314.351 3.167 20 30 DGEDLP C[N@@H+](Cc1cccc(C#N)c1)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000434021580 529993235 /nfs/dbraw/zinc/99/32/35/529993235.db2.gz LIASLSSDNZAYCA-PMACEKPBSA-N 2 2 320.440 3.078 20 30 DGEDLP C[N@H+](Cc1cccc(C#N)c1)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000434021580 529993236 /nfs/dbraw/zinc/99/32/36/529993236.db2.gz LIASLSSDNZAYCA-PMACEKPBSA-N 2 2 320.440 3.078 20 30 DGEDLP C[NH+](Cc1cccc(C#N)c1)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000434021580 529993237 /nfs/dbraw/zinc/99/32/37/529993237.db2.gz LIASLSSDNZAYCA-PMACEKPBSA-N 2 2 320.440 3.078 20 30 DGEDLP C[NH+](Cc1cccc(C#N)c1)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000434021580 529993238 /nfs/dbraw/zinc/99/32/38/529993238.db2.gz LIASLSSDNZAYCA-PMACEKPBSA-N 2 2 320.440 3.078 20 30 DGEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)c2cc(OC)ccc2OC)CC1 ZINC000177905384 186202030 /nfs/dbraw/zinc/20/20/30/186202030.db2.gz OALHXCJNOXPVTA-AWEZNQCLSA-N 2 2 304.434 3.005 20 30 DGEDLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H](C)c1ccc(C#N)cc1F)CCC2 ZINC000331708091 234024939 /nfs/dbraw/zinc/02/49/39/234024939.db2.gz AYRCYOPXOPZEKU-ZFWWWQNUSA-N 2 2 312.392 3.431 20 30 DGEDLP N#Cc1ccc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1F ZINC000248911097 283142410 /nfs/dbraw/zinc/14/24/10/283142410.db2.gz YCMLQHGKHAXYCD-LPHOPBHVSA-N 2 2 313.420 3.146 20 30 DGEDLP N#Cc1ccc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1F ZINC000248911097 283142415 /nfs/dbraw/zinc/14/24/15/283142415.db2.gz YCMLQHGKHAXYCD-LPHOPBHVSA-N 2 2 313.420 3.146 20 30 DGEDLP N#Cc1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1F ZINC000248911097 283142417 /nfs/dbraw/zinc/14/24/17/283142417.db2.gz YCMLQHGKHAXYCD-LPHOPBHVSA-N 2 2 313.420 3.146 20 30 DGEDLP N#Cc1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1F ZINC000248911097 283142420 /nfs/dbraw/zinc/14/24/20/283142420.db2.gz YCMLQHGKHAXYCD-LPHOPBHVSA-N 2 2 313.420 3.146 20 30 DGEDLP N#Cc1cc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)ccc1F ZINC000134927904 432090551 /nfs/dbraw/zinc/09/05/51/432090551.db2.gz UDYLFWKVAUCAEY-DNVCBOLYSA-N 2 2 313.420 3.146 20 30 DGEDLP N#Cc1cc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)ccc1F ZINC000134927904 432090558 /nfs/dbraw/zinc/09/05/58/432090558.db2.gz UDYLFWKVAUCAEY-DNVCBOLYSA-N 2 2 313.420 3.146 20 30 DGEDLP N#Cc1cc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)ccc1F ZINC000134927904 432090559 /nfs/dbraw/zinc/09/05/59/432090559.db2.gz UDYLFWKVAUCAEY-DNVCBOLYSA-N 2 2 313.420 3.146 20 30 DGEDLP N#C[C@@H]1CC[C@H]([NH2+]CC2([NH+]3CCSCC3)CCCCC2)C1 ZINC000442792731 239124957 /nfs/dbraw/zinc/12/49/57/239124957.db2.gz MZOXSBDXSGDOKU-CVEARBPZSA-N 2 2 307.507 3.020 20 30 DGEDLP C=CC[NH+]1CCC([NH2+]Cc2ccccc2OCC(C)C)CC1 ZINC000449121618 240027142 /nfs/dbraw/zinc/02/71/42/240027142.db2.gz IIYVUTWTVBKLLO-UHFFFAOYSA-N 2 2 302.462 3.461 20 30 DGEDLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H](C)c2cccc(C#N)c2)cn1 ZINC000181540762 432134344 /nfs/dbraw/zinc/13/43/44/432134344.db2.gz DDRNTRCCJCINMP-AWEZNQCLSA-N 2 2 317.396 3.298 20 30 DGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]C[C@H]3CCCS3)CC2)cc1 ZINC000181887494 432148891 /nfs/dbraw/zinc/14/88/91/432148891.db2.gz MEQVFFBDNQDSRV-GOSISDBHSA-N 2 2 315.486 3.008 20 30 DGEDLP C=C(Br)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000268918868 207085436 /nfs/dbraw/zinc/08/54/36/207085436.db2.gz PVKISXRNINKZLE-CJNGLKHVSA-N 2 2 323.278 3.395 20 30 DGEDLP C=C(Br)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000268918868 207085438 /nfs/dbraw/zinc/08/54/38/207085438.db2.gz PVKISXRNINKZLE-CJNGLKHVSA-N 2 2 323.278 3.395 20 30 DGEDLP C=CCC[C@@H](O)C[N@H+]1CCC[C@H]1Cn1c(C)[nH+]c2ccccc21 ZINC000270092325 208150021 /nfs/dbraw/zinc/15/00/21/208150021.db2.gz AUYQTSQMTJVDRE-DLBZAZTESA-N 2 2 313.445 3.136 20 30 DGEDLP C=CCC[C@@H](O)C[N@@H+]1CCC[C@H]1Cn1c(C)[nH+]c2ccccc21 ZINC000270092325 208150031 /nfs/dbraw/zinc/15/00/31/208150031.db2.gz AUYQTSQMTJVDRE-DLBZAZTESA-N 2 2 313.445 3.136 20 30 DGEDLP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+]Cc2ccc(C#N)cc2F)C1 ZINC000343571711 254162449 /nfs/dbraw/zinc/16/24/49/254162449.db2.gz CAADZVAOIFIZJB-GASCZTMLSA-N 2 2 303.425 3.155 20 30 DGEDLP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+]Cc2ccc(C#N)cc2F)C1 ZINC000343571711 254162450 /nfs/dbraw/zinc/16/24/50/254162450.db2.gz CAADZVAOIFIZJB-GASCZTMLSA-N 2 2 303.425 3.155 20 30 DGEDLP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](Cc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000595893656 400289200 /nfs/dbraw/zinc/28/92/00/400289200.db2.gz YAZMEGXIXIEMQI-DGCLKSJQSA-N 2 2 311.351 3.136 20 30 DGEDLP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000595893656 400289202 /nfs/dbraw/zinc/28/92/02/400289202.db2.gz YAZMEGXIXIEMQI-DGCLKSJQSA-N 2 2 311.351 3.136 20 30 DGEDLP N#CC1(C[NH2+]C2CC[NH+](Cc3ccccc3Cl)CC2)CC1 ZINC000578398153 400328514 /nfs/dbraw/zinc/32/85/14/400328514.db2.gz BMKBTUHHMLIYMH-UHFFFAOYSA-N 2 2 303.837 3.198 20 30 DGEDLP N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]CCc1cn2c([nH+]1)CCCC2 ZINC000611390569 400391313 /nfs/dbraw/zinc/39/13/13/400391313.db2.gz IPRRNKCORGWEQA-IBGZPJMESA-N 2 2 320.440 3.301 20 30 DGEDLP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](Cc2cccc(C#N)n2)C1 ZINC000602450972 400467324 /nfs/dbraw/zinc/46/73/24/400467324.db2.gz MQXJHANNWWJDLP-SJORKVTESA-N 2 2 312.461 3.040 20 30 DGEDLP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](Cc2cccc(C#N)n2)C1 ZINC000602450972 400467326 /nfs/dbraw/zinc/46/73/26/400467326.db2.gz MQXJHANNWWJDLP-SJORKVTESA-N 2 2 312.461 3.040 20 30 DGEDLP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](Cc2cccc(C#N)n2)C1 ZINC000602450972 400467331 /nfs/dbraw/zinc/46/73/31/400467331.db2.gz MQXJHANNWWJDLP-SJORKVTESA-N 2 2 312.461 3.040 20 30 DGEDLP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](Cc2cccc(C#N)n2)C1 ZINC000602450972 400467337 /nfs/dbraw/zinc/46/73/37/400467337.db2.gz MQXJHANNWWJDLP-SJORKVTESA-N 2 2 312.461 3.040 20 30 DGEDLP C[C@@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccccc1)c1cccc(C#N)c1 ZINC000596648970 400472066 /nfs/dbraw/zinc/47/20/66/400472066.db2.gz VLMBWJUPEQEPJD-CDHQVMDDSA-N 2 2 305.425 3.355 20 30 DGEDLP COc1ccc([C@H](C[NH2+]C[C@H](C)CCC#N)[NH+]2CCCC2)cc1 ZINC000602505853 400482219 /nfs/dbraw/zinc/48/22/19/400482219.db2.gz AYKNSXFLGRDPES-APWZRJJASA-N 2 2 315.461 3.362 20 30 DGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@H]3CCC[C@H](F)C3)CC2)cc1 ZINC000592369266 400639627 /nfs/dbraw/zinc/63/96/27/400639627.db2.gz HXFKKLHUCFMHDR-HKUYNNGSSA-N 2 2 315.436 3.393 20 30 DGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@H]3CCC[C@@H](F)C3)CC2)cc1 ZINC000592369280 400640028 /nfs/dbraw/zinc/64/00/28/400640028.db2.gz HXFKKLHUCFMHDR-MJGOQNOKSA-N 2 2 315.436 3.393 20 30 DGEDLP N#Cc1ccc(C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c(Cl)c1 ZINC000615224369 401033071 /nfs/dbraw/zinc/03/30/71/401033071.db2.gz NURHTZMOOHPPFE-OAHLLOKOSA-N 2 2 300.793 3.245 20 30 DGEDLP N#Cc1ccc(C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c(Cl)c1 ZINC000615224369 401033076 /nfs/dbraw/zinc/03/30/76/401033076.db2.gz NURHTZMOOHPPFE-OAHLLOKOSA-N 2 2 300.793 3.245 20 30 DGEDLP C=C(C)COc1cc(C[NH2+][C@H](C)Cn2cc[nH+]c2)ccc1OC ZINC000057962671 401039643 /nfs/dbraw/zinc/03/96/43/401039643.db2.gz HLAVEFACZKXCOO-OAHLLOKOSA-N 2 2 315.417 3.025 20 30 DGEDLP C[C@H]1CC(F)(F)CC[NH+]1CC#CC[N@H+]1CCC(F)(F)C[C@@H]1C ZINC000625980780 401272497 /nfs/dbraw/zinc/27/24/97/401272497.db2.gz QHIVVKIIKPNUJH-KBPBESRZSA-N 2 2 320.374 3.229 20 30 DGEDLP C[C@H]1CC(F)(F)CC[NH+]1CC#CC[N@@H+]1CCC(F)(F)C[C@@H]1C ZINC000625980780 401272501 /nfs/dbraw/zinc/27/25/01/401272501.db2.gz QHIVVKIIKPNUJH-KBPBESRZSA-N 2 2 320.374 3.229 20 30 DGEDLP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)[NH2+]Cc1cc(C#N)n(C)c1 ZINC000191612456 165260814 /nfs/dbraw/zinc/26/08/14/165260814.db2.gz HFLVZUSBLDWVLP-FQEVSTJZSA-N 2 2 324.472 3.143 20 30 DGEDLP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)[NH2+]Cc1cc(C#N)n(C)c1 ZINC000191612456 165260816 /nfs/dbraw/zinc/26/08/16/165260816.db2.gz HFLVZUSBLDWVLP-FQEVSTJZSA-N 2 2 324.472 3.143 20 30 DGEDLP N#Cc1csc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1 ZINC000247291234 432220451 /nfs/dbraw/zinc/22/04/51/432220451.db2.gz ZDHNVVUTPMWOBQ-YOEHRIQHSA-N 2 2 301.459 3.068 20 30 DGEDLP N#Cc1csc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1 ZINC000247291234 432220454 /nfs/dbraw/zinc/22/04/54/432220454.db2.gz ZDHNVVUTPMWOBQ-YOEHRIQHSA-N 2 2 301.459 3.068 20 30 DGEDLP N#Cc1csc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000247291234 432220457 /nfs/dbraw/zinc/22/04/57/432220457.db2.gz ZDHNVVUTPMWOBQ-YOEHRIQHSA-N 2 2 301.459 3.068 20 30 DGEDLP N#Cc1csc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000247291234 432220460 /nfs/dbraw/zinc/22/04/60/432220460.db2.gz ZDHNVVUTPMWOBQ-YOEHRIQHSA-N 2 2 301.459 3.068 20 30 DGEDLP Cc1cc(C)c(NC(=O)NCC2(C[NH+](C)C)CCCC2)c(C)[nH+]1 ZINC000331294903 229028037 /nfs/dbraw/zinc/02/80/37/229028037.db2.gz CJXSOYIZPMMZJX-UHFFFAOYSA-N 2 2 318.465 3.455 20 30 DGEDLP C#CCOc1ccccc1C[NH2+]CCCc1[nH]c2ccccc2[nH+]1 ZINC000073136661 431363313 /nfs/dbraw/zinc/36/33/13/431363313.db2.gz ZKYIEJQWJGYSET-UHFFFAOYSA-N 2 2 319.408 3.297 20 30 DGEDLP C=C(C)COCC[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000090450949 431891838 /nfs/dbraw/zinc/89/18/38/431891838.db2.gz KPANQIVBRLRJTJ-UHFFFAOYSA-N 2 2 322.880 3.487 20 30 DGEDLP C#CCCOc1ccc(C[N@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000091960596 431906558 /nfs/dbraw/zinc/90/65/58/431906558.db2.gz KXQDDERELDYXHD-PXNSSMCTSA-N 2 2 323.440 3.368 20 30 DGEDLP C#CCCOc1ccc(C[N@@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000091960596 431906559 /nfs/dbraw/zinc/90/65/59/431906559.db2.gz KXQDDERELDYXHD-PXNSSMCTSA-N 2 2 323.440 3.368 20 30 DGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]Cc3ccccc3O)CC2)cc1 ZINC000271872386 432426384 /nfs/dbraw/zinc/42/63/84/432426384.db2.gz MYJXTENVWKAOLE-UHFFFAOYSA-N 2 2 321.424 3.018 20 30 DGEDLP CC[NH+](CC)C[C@H]1CC[N@H+](CC#Cc2cccc(Cl)c2)C1 ZINC000154135052 432475170 /nfs/dbraw/zinc/47/51/70/432475170.db2.gz CZZUFFWHPSWZCQ-QGZVFWFLSA-N 2 2 304.865 3.355 20 30 DGEDLP CC[NH+](CC)C[C@H]1CC[N@@H+](CC#Cc2cccc(Cl)c2)C1 ZINC000154135052 432475173 /nfs/dbraw/zinc/47/51/73/432475173.db2.gz CZZUFFWHPSWZCQ-QGZVFWFLSA-N 2 2 304.865 3.355 20 30 DGEDLP CCC[N@H+](C)C[C@@H]1CC[NH+](CC#Cc2cccc(Cl)c2)C1 ZINC000154265204 432485489 /nfs/dbraw/zinc/48/54/89/432485489.db2.gz GNDASBLJWWBHLV-KRWDZBQOSA-N 2 2 304.865 3.355 20 30 DGEDLP CCC[N@@H+](C)C[C@@H]1CC[NH+](CC#Cc2cccc(Cl)c2)C1 ZINC000154265204 432485490 /nfs/dbraw/zinc/48/54/90/432485490.db2.gz GNDASBLJWWBHLV-KRWDZBQOSA-N 2 2 304.865 3.355 20 30 DGEDLP CCC[NH+](C)C[C@@H]1CC[N@H+](CC#Cc2cccc(Cl)c2)C1 ZINC000154265204 432485492 /nfs/dbraw/zinc/48/54/92/432485492.db2.gz GNDASBLJWWBHLV-KRWDZBQOSA-N 2 2 304.865 3.355 20 30 DGEDLP CCC[NH+](C)C[C@@H]1CC[N@@H+](CC#Cc2cccc(Cl)c2)C1 ZINC000154265204 432485496 /nfs/dbraw/zinc/48/54/96/432485496.db2.gz GNDASBLJWWBHLV-KRWDZBQOSA-N 2 2 304.865 3.355 20 30 DGEDLP C=CCC[C@@H](C)Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1 ZINC000273453937 432600973 /nfs/dbraw/zinc/60/09/73/432600973.db2.gz GQKOGYQPIWPKKH-OAHLLOKOSA-N 2 2 302.466 3.379 20 30 DGEDLP C=CC[NH+]1CCC([NH2+][C@H](C)c2cnn(Cc3ccccc3)c2)CC1 ZINC000177911569 432672751 /nfs/dbraw/zinc/67/27/51/432672751.db2.gz YQUJITZUPBMYBL-QGZVFWFLSA-N 2 2 324.472 3.232 20 30 DGEDLP C[NH+](C)[C@@H]1CCC[N@H+](CC#Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000277186575 432830306 /nfs/dbraw/zinc/83/03/06/432830306.db2.gz LRINDFYSFUQMRW-QGZVFWFLSA-N 2 2 324.390 3.473 20 30 DGEDLP C[NH+](C)[C@@H]1CCC[N@@H+](CC#Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000277186575 432830308 /nfs/dbraw/zinc/83/03/08/432830308.db2.gz LRINDFYSFUQMRW-QGZVFWFLSA-N 2 2 324.390 3.473 20 30 DGEDLP C=CC[NH+]1CCC([NH2+][C@H](C)c2ccc(Br)nc2)CC1 ZINC000289883088 432978347 /nfs/dbraw/zinc/97/83/47/432978347.db2.gz SSANLEJJVJFCML-GFCCVEGCSA-N 2 2 324.266 3.145 20 30 DGEDLP CC[NH+](CC)Cc1cccc(CNc2cc(C)[nH+]cc2C#N)c1 ZINC000425209527 433121143 /nfs/dbraw/zinc/12/11/43/433121143.db2.gz RQDMDQJXHHLPMD-UHFFFAOYSA-N 2 2 308.429 3.138 20 30 DGEDLP C=CC[NH+]1CCC([NH2+]Cc2ccnc(Cl)c2Cl)CC1 ZINC000290806310 433173866 /nfs/dbraw/zinc/17/38/66/433173866.db2.gz FTPGRRZLXSXPGW-UHFFFAOYSA-N 2 2 300.233 3.128 20 30 DGEDLP C[N@H+](CC[NH2+][C@@H]1CCc2ccc(C#N)cc21)Cc1ccccc1 ZINC000353425389 434124579 /nfs/dbraw/zinc/12/45/79/434124579.db2.gz JJCLJAZMYWITLD-HXUWFJFHSA-N 2 2 305.425 3.267 20 30 DGEDLP C[N@@H+](CC[NH2+][C@@H]1CCc2ccc(C#N)cc21)Cc1ccccc1 ZINC000353425389 434124589 /nfs/dbraw/zinc/12/45/89/434124589.db2.gz JJCLJAZMYWITLD-HXUWFJFHSA-N 2 2 305.425 3.267 20 30 DGEDLP C=CCC[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)c1ccco1 ZINC000286119546 434172295 /nfs/dbraw/zinc/17/22/95/434172295.db2.gz NONMDYYDOUBSBE-KSZLIROESA-N 2 2 318.461 3.254 20 30 DGEDLP N#Cc1cccc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c1F ZINC000340871498 434405012 /nfs/dbraw/zinc/40/50/12/434405012.db2.gz AGKWVHCUPBPWNJ-QAPCUYQASA-N 2 2 313.420 3.146 20 30 DGEDLP N#Cc1cccc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c1F ZINC000340871498 434405020 /nfs/dbraw/zinc/40/50/20/434405020.db2.gz AGKWVHCUPBPWNJ-QAPCUYQASA-N 2 2 313.420 3.146 20 30 DGEDLP N#Cc1cccc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1F ZINC000340871498 434405034 /nfs/dbraw/zinc/40/50/34/434405034.db2.gz AGKWVHCUPBPWNJ-QAPCUYQASA-N 2 2 313.420 3.146 20 30 DGEDLP N#Cc1cccc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1F ZINC000340871498 434405041 /nfs/dbraw/zinc/40/50/41/434405041.db2.gz AGKWVHCUPBPWNJ-QAPCUYQASA-N 2 2 313.420 3.146 20 30 DGEDLP N#Cc1cccc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1F ZINC000340871497 434406795 /nfs/dbraw/zinc/40/67/95/434406795.db2.gz AGKWVHCUPBPWNJ-MAUKXSAKSA-N 2 2 313.420 3.146 20 30 DGEDLP N#Cc1cccc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1F ZINC000340871497 434406800 /nfs/dbraw/zinc/40/68/00/434406800.db2.gz AGKWVHCUPBPWNJ-MAUKXSAKSA-N 2 2 313.420 3.146 20 30 DGEDLP N#Cc1cccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1F ZINC000340871497 434406808 /nfs/dbraw/zinc/40/68/08/434406808.db2.gz AGKWVHCUPBPWNJ-MAUKXSAKSA-N 2 2 313.420 3.146 20 30 DGEDLP N#Cc1cccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1F ZINC000340871497 434406812 /nfs/dbraw/zinc/40/68/12/434406812.db2.gz AGKWVHCUPBPWNJ-MAUKXSAKSA-N 2 2 313.420 3.146 20 30 DGEDLP C[C@@H](CC[NH+]1CCC(C)(C#N)CC1)[NH+]1CCC(C)(C#N)CC1 ZINC000408159910 434547039 /nfs/dbraw/zinc/54/70/39/434547039.db2.gz SGOVWLXDNOOMKF-INIZCTEOSA-N 2 2 302.466 3.016 20 30 DGEDLP N#Cc1ccc(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c(Cl)c1 ZINC000439431063 434602302 /nfs/dbraw/zinc/60/23/02/434602302.db2.gz LEIGSFHQXVHKEO-AWEZNQCLSA-N 2 2 300.793 3.314 20 30 DGEDLP N#Cc1ccc(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c(Cl)c1 ZINC000439431063 434602307 /nfs/dbraw/zinc/60/23/07/434602307.db2.gz LEIGSFHQXVHKEO-AWEZNQCLSA-N 2 2 300.793 3.314 20 30 DGEDLP C=CCOCC[NH2+][C@H](C[N@@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000645121641 435571890 /nfs/dbraw/zinc/57/18/90/435571890.db2.gz DUJWKLDASZQHAY-LJQANCHMSA-N 2 2 316.489 3.252 20 30 DGEDLP C=CCOCC[NH2+][C@H](C[N@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000645121641 435571894 /nfs/dbraw/zinc/57/18/94/435571894.db2.gz DUJWKLDASZQHAY-LJQANCHMSA-N 2 2 316.489 3.252 20 30 DGEDLP C=C[C@H]1CCCC[NH+]1CC1(C[N@H+]2CCCC[C@H]2C=C)COC1 ZINC000489436461 435647663 /nfs/dbraw/zinc/64/76/63/435647663.db2.gz KKOYTBZRLJLVGF-HDICACEKSA-N 2 2 304.478 3.084 20 30 DGEDLP C=C[C@H]1CCCC[NH+]1CC1(C[N@@H+]2CCCC[C@H]2C=C)COC1 ZINC000489436461 435647668 /nfs/dbraw/zinc/64/76/68/435647668.db2.gz KKOYTBZRLJLVGF-HDICACEKSA-N 2 2 304.478 3.084 20 30 DGEDLP C=C[C@H]1CCCC[N@H+]1CC1(C[NH+]2CCCC[C@H]2C=C)COC1 ZINC000489436461 435647672 /nfs/dbraw/zinc/64/76/72/435647672.db2.gz KKOYTBZRLJLVGF-HDICACEKSA-N 2 2 304.478 3.084 20 30 DGEDLP C=C[C@H]1CCCC[N@@H+]1CC1(C[NH+]2CCCC[C@H]2C=C)COC1 ZINC000489436461 435647675 /nfs/dbraw/zinc/64/76/75/435647675.db2.gz KKOYTBZRLJLVGF-HDICACEKSA-N 2 2 304.478 3.084 20 30 DGEDLP C=CC[C@@H](Cc1ccccc1)[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655776213 435789207 /nfs/dbraw/zinc/78/92/07/435789207.db2.gz JUIXZERPXHWCQX-VQTJNVASSA-N 2 2 314.473 3.017 20 30 DGEDLP C=CC[C@]1(C(=O)Nc2ccc3[nH]c(C4CCC4)[nH+]c3c2)CCC[NH2+]1 ZINC000662706411 436379615 /nfs/dbraw/zinc/37/96/15/436379615.db2.gz CLTNYKKJXAFUPR-LJQANCHMSA-N 2 2 324.428 3.467 20 30 DGEDLP Cc1cc(C[NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)ccc1C#N ZINC000443981998 533706864 /nfs/dbraw/zinc/70/68/64/533706864.db2.gz UOLPTDAWJYXIST-UHFFFAOYSA-N 2 2 320.371 3.481 20 30 DGEDLP CC1(C#N)CCC([NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)CC1 ZINC000569898490 332690418 /nfs/dbraw/zinc/69/04/18/332690418.db2.gz MNZQIVPCMZHTAA-UHFFFAOYSA-N 2 2 308.429 3.493 20 30 DGEDLP C[C@@H]1CCC[N@H+](Cc2ccccc2C[NH2+]C[C@@H](C#N)CCC#N)C1 ZINC000548788280 341275575 /nfs/dbraw/zinc/27/55/75/341275575.db2.gz CMZYKSHJGOGCOI-QZTJIDSGSA-N 2 2 324.472 3.452 20 30 DGEDLP C[C@@H]1CCC[N@@H+](Cc2ccccc2C[NH2+]C[C@@H](C#N)CCC#N)C1 ZINC000548788280 341275576 /nfs/dbraw/zinc/27/55/76/341275576.db2.gz CMZYKSHJGOGCOI-QZTJIDSGSA-N 2 2 324.472 3.452 20 30 DGEDLP C[C@@H]1CCC[N@H+](Cc2ccccc2C[NH2+]C[C@H](C#N)CCC#N)C1 ZINC000548788279 341275699 /nfs/dbraw/zinc/27/56/99/341275699.db2.gz CMZYKSHJGOGCOI-MSOLQXFVSA-N 2 2 324.472 3.452 20 30 DGEDLP C[C@@H]1CCC[N@@H+](Cc2ccccc2C[NH2+]C[C@H](C#N)CCC#N)C1 ZINC000548788279 341275700 /nfs/dbraw/zinc/27/57/00/341275700.db2.gz CMZYKSHJGOGCOI-MSOLQXFVSA-N 2 2 324.472 3.452 20 30 DGEDLP Cc1cc(C[NH2+][C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)ccc1C#N ZINC000443994231 533726480 /nfs/dbraw/zinc/72/64/80/533726480.db2.gz CWAVVZOVXYWWJW-LAUBAEHRSA-N 2 2 319.452 3.477 20 30 DGEDLP Cc1cc(C[NH2+][C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)ccc1C#N ZINC000443994231 533726491 /nfs/dbraw/zinc/72/64/91/533726491.db2.gz CWAVVZOVXYWWJW-LAUBAEHRSA-N 2 2 319.452 3.477 20 30 DGEDLP COc1cccc([C@H](C[NH2+][C@@H]2CC[C@H](C#N)C2)[NH+]2CCCC2)c1 ZINC000442647145 533782128 /nfs/dbraw/zinc/78/21/28/533782128.db2.gz LERPXVGAKKQVJW-WDYCEAGBSA-N 2 2 313.445 3.114 20 30 DGEDLP N#CC1(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)CC1 ZINC000347425575 534549862 /nfs/dbraw/zinc/54/98/62/534549862.db2.gz LCBYVVQUBMGYFX-MOPGFXCFSA-N 2 2 309.457 3.277 20 30 DGEDLP N#CC1(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)CC1 ZINC000347425575 534549867 /nfs/dbraw/zinc/54/98/67/534549867.db2.gz LCBYVVQUBMGYFX-MOPGFXCFSA-N 2 2 309.457 3.277 20 30 DGEDLP N#CC1(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)CC1 ZINC000347425575 534549872 /nfs/dbraw/zinc/54/98/72/534549872.db2.gz LCBYVVQUBMGYFX-MOPGFXCFSA-N 2 2 309.457 3.277 20 30 DGEDLP N#CC1(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)CC1 ZINC000347425575 534549875 /nfs/dbraw/zinc/54/98/75/534549875.db2.gz LCBYVVQUBMGYFX-MOPGFXCFSA-N 2 2 309.457 3.277 20 30 DGEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CCC[C@@H](CCCC(=O)OC)C2)CC1 ZINC000339242695 526452821 /nfs/dbraw/zinc/45/28/21/526452821.db2.gz PRHAXTYQOOEKFV-FUHWJXTLSA-N 2 2 322.493 3.129 20 30 DGEDLP CC(C)[C@H](C[NH2+][C@@H]1CC[C@@H](C#N)C1)[N@@H+]1CCc2ccccc2C1 ZINC000442795023 529015885 /nfs/dbraw/zinc/01/58/85/529015885.db2.gz UHGHKNTVBSGPIB-AHRSYUTCSA-N 2 2 311.473 3.351 20 30 DGEDLP CC(C)[C@H](C[NH2+][C@@H]1CC[C@@H](C#N)C1)[N@H+]1CCc2ccccc2C1 ZINC000442795023 529015892 /nfs/dbraw/zinc/01/58/92/529015892.db2.gz UHGHKNTVBSGPIB-AHRSYUTCSA-N 2 2 311.473 3.351 20 30 DGEDLP C#CC[N@H+](C)CCC[NH2+][C@H](c1ccc(C)cc1)c1cccnc1 ZINC000926489319 618032256 /nfs/dbraw/zinc/03/22/56/618032256.db2.gz GSORAZHWKJVROJ-HXUWFJFHSA-N 2 2 307.441 3.024 20 30 DGEDLP C#CC[N@@H+](C)CCC[NH2+][C@H](c1ccc(C)cc1)c1cccnc1 ZINC000926489319 618032261 /nfs/dbraw/zinc/03/22/61/618032261.db2.gz GSORAZHWKJVROJ-HXUWFJFHSA-N 2 2 307.441 3.024 20 30 DGEDLP N#Cc1ccc(CN(c2cccc[nH+]2)[C@H]2CC[C@H]([NH3+])CC2)cc1F ZINC000895115323 618541666 /nfs/dbraw/zinc/54/16/66/618541666.db2.gz OVRGBDXASMJLJH-QAQDUYKDSA-N 2 2 324.403 3.369 20 30 DGEDLP CC[C@H]([NH2+]CCC1CC[NH+](CC)CC1)c1cccc(C#N)c1O ZINC000925151054 619052867 /nfs/dbraw/zinc/05/28/67/619052867.db2.gz JEUSUMCIJJTAIH-SFHVURJKSA-N 2 2 315.461 3.427 20 30 DGEDLP C[C@@H]1CC=CC[C@H]1[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000898224051 619229173 /nfs/dbraw/zinc/22/91/73/619229173.db2.gz MXMBQPKBKXHQHD-OXQOHEQNSA-N 2 2 309.457 3.467 20 30 DGEDLP CC[C@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1cccc(C#N)c1 ZINC000902741774 619668508 /nfs/dbraw/zinc/66/85/08/619668508.db2.gz GLQDWDGWAKEQBK-SFHVURJKSA-N 2 2 308.429 3.374 20 30 DGEDLP C=CC[NH+]1CCC([NH2+][C@H]2CCC[C@H](C3CCOCC3)C2)CC1 ZINC000902795122 619677616 /nfs/dbraw/zinc/67/76/16/619677616.db2.gz ALMHZGPCGPBRHS-HKUYNNGSSA-N 2 2 306.494 3.212 20 30 DGEDLP C=CCC[C@H]([NH2+][C@@H](CC[NH+](C)C)c1cccnc1)[C@@H]1CCCO1 ZINC000903377358 619767887 /nfs/dbraw/zinc/76/78/87/619767887.db2.gz LFPLEAWJETXPPB-FHWLQOOXSA-N 2 2 317.477 3.178 20 30 DGEDLP C[C@H](CC#N)[NH+](C)CC[Si](C)(C)CC[N@@H+](C)[C@@H](C)CC#N ZINC000859163350 621255954 /nfs/dbraw/zinc/25/59/54/621255954.db2.gz IROJGTYIHAJQQY-IYBDPMFKSA-N 2 2 308.546 3.163 20 30 DGEDLP C[C@H](CC#N)[NH+](C)CC[Si](C)(C)CC[N@H+](C)[C@@H](C)CC#N ZINC000859163350 621255957 /nfs/dbraw/zinc/25/59/57/621255957.db2.gz IROJGTYIHAJQQY-IYBDPMFKSA-N 2 2 308.546 3.163 20 30 DGEDLP C[C@H](CC#N)[N@H+](C)CC[Si](C)(C)CC[NH+](C)[C@@H](C)CC#N ZINC000859163350 621255961 /nfs/dbraw/zinc/25/59/61/621255961.db2.gz IROJGTYIHAJQQY-IYBDPMFKSA-N 2 2 308.546 3.163 20 30 DGEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2cc(F)ccc2N(C)C)CC1 ZINC000865453513 621925150 /nfs/dbraw/zinc/92/51/50/621925150.db2.gz FQFJQDXQAMNICS-UHFFFAOYSA-N 2 2 305.441 3.022 20 30 DGEDLP C[C@@H]([NH2+]CCC[N@@H+]1CCCC[C@H]1C)c1cccc(C#N)c1O ZINC000866218333 622068276 /nfs/dbraw/zinc/06/82/76/622068276.db2.gz NEQHABAFCXLSBG-HUUCEWRRSA-N 2 2 301.434 3.179 20 30 DGEDLP C[C@@H]([NH2+]CCC[N@H+]1CCCC[C@H]1C)c1cccc(C#N)c1O ZINC000866218333 622068277 /nfs/dbraw/zinc/06/82/77/622068277.db2.gz NEQHABAFCXLSBG-HUUCEWRRSA-N 2 2 301.434 3.179 20 30 DGEDLP C[C@@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)c1cccc(C#N)c1O ZINC000866289600 622086000 /nfs/dbraw/zinc/08/60/00/622086000.db2.gz ILHGMELXZUNWTG-CYBMUJFWSA-N 2 2 301.434 3.177 20 30 DGEDLP Cc1cc(C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)ccc1C#N ZINC000767694007 622416289 /nfs/dbraw/zinc/41/62/89/622416289.db2.gz TZBZQMAHPNYZMO-UHFFFAOYSA-N 2 2 302.381 3.342 20 30 DGEDLP C=CCSCC[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000772951368 622956213 /nfs/dbraw/zinc/95/62/13/622956213.db2.gz DEKJEOGFOUZLBL-UHFFFAOYSA-N 2 2 319.518 3.230 20 30 DGEDLP CN(C)c1cc[nH+]cc1C=[NH+]Nc1ccc(OC(F)F)cc1 ZINC000776181547 623391886 /nfs/dbraw/zinc/39/18/86/623391886.db2.gz XDASFJLOOZDGAX-UHFFFAOYSA-N 2 2 306.316 3.195 20 30 DGEDLP CCCCCCCCC[NH+]1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000792257019 625931453 /nfs/dbraw/zinc/93/14/53/625931453.db2.gz YKAGYNDABNAPPN-SFHVURJKSA-N 2 2 323.525 3.151 20 30 DGEDLP CCCCCCCCC[NH+]1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000792257019 625931455 /nfs/dbraw/zinc/93/14/55/625931455.db2.gz YKAGYNDABNAPPN-SFHVURJKSA-N 2 2 323.525 3.151 20 30 DGEDLP CN(c1ccc([NH2+][C@H]2CC[C@H](C#N)C2)cc1)C1CC[NH+](C)CC1 ZINC000799721863 626324315 /nfs/dbraw/zinc/32/43/15/626324315.db2.gz YTYPACOPPAQZAZ-RDJZCZTQSA-N 2 2 312.461 3.321 20 30 DGEDLP C#CC[N@@H+](C)CCC[NH2+][C@H](C)c1ccccc1OC(F)(F)F ZINC000815651988 627695139 /nfs/dbraw/zinc/69/51/39/627695139.db2.gz LAPQBGURBLOSQB-CYBMUJFWSA-N 2 2 314.351 3.191 20 30 DGEDLP C#CC[N@H+](C)CCC[NH2+][C@H](C)c1ccccc1OC(F)(F)F ZINC000815651988 627695140 /nfs/dbraw/zinc/69/51/40/627695140.db2.gz LAPQBGURBLOSQB-CYBMUJFWSA-N 2 2 314.351 3.191 20 30 DGEDLP C=C(C)C[NH+]1CCC([NH2+][C@H](C)c2cnn(C3CCC3)c2)CC1 ZINC000924990051 627699641 /nfs/dbraw/zinc/69/96/41/627699641.db2.gz XLBOGOYACPEYQJ-OAHLLOKOSA-N 2 2 302.466 3.299 20 30 DGEDLP CC[C@H]([NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1)c1cccc(C#N)c1O ZINC000925219092 627720139 /nfs/dbraw/zinc/72/01/39/627720139.db2.gz BOQONAMURTWDGF-INMHGKMJSA-N 2 2 301.434 3.177 20 30 DGEDLP CC[C@H](C#N)Oc1cccc(C[NH2+][C@H]2CC[NH2+]C23CCCC3)c1 ZINC000925619882 627763803 /nfs/dbraw/zinc/76/38/03/627763803.db2.gz RULABDGOLUWKEV-AEFFLSMTSA-N 2 2 313.445 3.132 20 30 DGEDLP CC(C)(C)[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000817407441 627894046 /nfs/dbraw/zinc/89/40/46/627894046.db2.gz OOSSOTWFZBFPKI-MRXNPFEDSA-N 2 2 300.381 3.098 20 30 DGEDLP CCCCCCCCCC[N@H+]1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000818340860 628015728 /nfs/dbraw/zinc/01/57/28/628015728.db2.gz UINWONDFWPMJRL-ZWKOTPCHSA-N 2 2 306.498 3.287 20 30 DGEDLP CCCCCCCCCC[N@@H+]1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000818340860 628015731 /nfs/dbraw/zinc/01/57/31/628015731.db2.gz UINWONDFWPMJRL-ZWKOTPCHSA-N 2 2 306.498 3.287 20 30 DGEDLP N#CC1(CCCC[N@@H+]2CCC[C@H]([NH2+]C3CCOCC3)C2)CCC1 ZINC000931652242 656445193 /nfs/dbraw/zinc/44/51/93/656445193.db2.gz WJCJVAOWTUGQHQ-SFHVURJKSA-N 2 2 319.493 3.084 20 30 DGEDLP N#CC1(CCCC[N@H+]2CCC[C@H]([NH2+]C3CCOCC3)C2)CCC1 ZINC000931652242 656445195 /nfs/dbraw/zinc/44/51/95/656445195.db2.gz WJCJVAOWTUGQHQ-SFHVURJKSA-N 2 2 319.493 3.084 20 30 DGEDLP CCc1ccc(NC(=[NH2+])NCC[N@H+](C)Cc2ccccc2)cc1 ZINC000303883205 657571431 /nfs/dbraw/zinc/57/14/31/657571431.db2.gz MAGNSQFZODKNFJ-UHFFFAOYSA-N 2 2 310.445 3.108 20 30 DGEDLP CCc1ccc(NC(=[NH2+])NCC[N@@H+](C)Cc2ccccc2)cc1 ZINC000303883205 657571435 /nfs/dbraw/zinc/57/14/35/657571435.db2.gz MAGNSQFZODKNFJ-UHFFFAOYSA-N 2 2 310.445 3.108 20 30 DGEDLP CC[NH+](CC)[C@H](CNC(=[NH2+])N1CCC[C@@H](C)C1)c1ccsc1 ZINC000303904038 657576628 /nfs/dbraw/zinc/57/66/28/657576628.db2.gz UQNJGZWFYNTVDV-GDBMZVCRSA-N 2 2 322.522 3.178 20 30 DGEDLP C=CC[NH2+]C1CCC(N(C)C(=O)c2c(C)cc(C)[nH+]c2C)CC1 ZINC000963706965 658235898 /nfs/dbraw/zinc/23/58/98/658235898.db2.gz PFHHHPJEHZCUAQ-UHFFFAOYSA-N 2 2 315.461 3.166 20 30 DGEDLP Cn1cc[nH+]c1C[C@@H]([NH2+]Cc1csc(C#N)c1)c1ccccc1 ZINC001621016649 1192833628 /nfs/dbraw/zinc/83/36/28/1192833628.db2.gz RGHLUEYWLLOWFM-QGZVFWFLSA-N 2 2 322.437 3.427 20 30 DGEDLP C=CC[NH+]1CCC(CCNC(=O)c2c(C)cc(C)[nH+]c2C)CC1 ZINC001568127639 1190430175 /nfs/dbraw/zinc/43/01/75/1190430175.db2.gz JWTPIYVJCGRWLQ-UHFFFAOYSA-N 2 2 315.461 3.025 20 30 DGEDLP C=C(C)CC[NH2+]C[C@H]1C[C@H](NC(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001571138769 1190983443 /nfs/dbraw/zinc/98/34/43/1190983443.db2.gz DNBNUIUNIQAZKK-QAQDUYKDSA-N 2 2 315.461 3.071 20 30 DGEDLP C[NH+](C)[C@@H]1[C@H]2C[N@H+](Cc3ccc(-c4ccccc4C#N)cc3)C[C@H]21 ZINC001654415477 1195802069 /nfs/dbraw/zinc/80/20/69/1195802069.db2.gz YAXUDUJPVLSGFJ-AERCQKQUSA-N 2 2 317.436 3.217 20 30 DGEDLP C[NH+](C)[C@@H]1[C@H]2C[N@@H+](Cc3ccc(-c4ccccc4C#N)cc3)C[C@H]21 ZINC001654415477 1195802071 /nfs/dbraw/zinc/80/20/71/1195802071.db2.gz YAXUDUJPVLSGFJ-AERCQKQUSA-N 2 2 317.436 3.217 20 30 DGEDLP C#CCOc1cccc(Cl)c1C[NH2+]C[C@H](C)C[NH+]1CCCC1 ZINC001656820124 1196072991 /nfs/dbraw/zinc/07/29/91/1196072991.db2.gz NNBAWVKLFRGRFQ-HNNXBMFYSA-N 2 2 320.864 3.174 20 30 DGEDLP N#Cc1cc(C[NH2+][C@H](Cn2cc[nH+]c2)c2ccccc2)cs1 ZINC001656845140 1196075590 /nfs/dbraw/zinc/07/55/90/1196075590.db2.gz YKBOSENSXNSJQD-QGZVFWFLSA-N 2 2 308.410 3.347 20 30 DGEDLP C=C(C)C[NH2+][C@H](C)[C@H]1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001754796625 1200493820 /nfs/dbraw/zinc/49/38/20/1200493820.db2.gz DWGWHIAEHCXNJF-WBVHZDCISA-N 2 2 315.461 3.023 20 30 DGEDLP C=CCC[C@@H](C)[NH2+][C@H]1C[C@@H](NC(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001752746676 1201905388 /nfs/dbraw/zinc/90/53/88/1201905388.db2.gz VKYUJHDARDPCOE-XYPHTWIQSA-N 2 2 315.461 3.212 20 30 DGEDLP C=C(C)C[NH2+]C[C@H]1CC[C@@H](NC(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001700901795 1202367772 /nfs/dbraw/zinc/36/77/72/1202367772.db2.gz QUJRJGLBWMOCDA-DLBZAZTESA-N 2 2 315.461 3.071 20 30 DGEDLP C=CCC[C@H](C)[NH2+]C[C@@H](C)CNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001714415876 1202919430 /nfs/dbraw/zinc/91/94/30/1202919430.db2.gz MLIYRQSVMALVML-HIFRSBDPSA-N 2 2 317.477 3.317 20 30 DGEDLP C=CCC[C@H](C)[NH2+]C/C=C/CNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001716323883 1203459445 /nfs/dbraw/zinc/45/94/45/1203459445.db2.gz VTXSUWBKOXJDSK-HVHJFMEUSA-N 2 2 315.461 3.237 20 30 DGEDLP C=CCC[C@H](C)[NH2+][C@H](CC)CNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001732213104 1204752587 /nfs/dbraw/zinc/75/25/87/1204752587.db2.gz YJHKOHPICJRZTR-WMLDXEAASA-N 2 2 317.477 3.460 20 30 DGEDLP C=C(C)C[NH2+]C[C@@H](CC(C)C)NC(=O)c1c(C)cc(C)[nH+]c1C ZINC001732466277 1204857646 /nfs/dbraw/zinc/85/76/46/1204857646.db2.gz KTPAAKZQVXKVCS-QGZVFWFLSA-N 2 2 317.477 3.317 20 30 DGEDLP C=CCCCCC[NH2+]CCNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001131560381 1082687933 /nfs/dbraw/zinc/68/79/33/1082687933.db2.gz KYQYEWHXHDRQOG-UHFFFAOYSA-N 2 2 303.450 3.073 20 30 DGEDLP CCCCCCC[NH2+][C@@H](C)C[C@H](C)NC(=O)CCc1[nH]cc[nH+]1 ZINC001134227390 1083258168 /nfs/dbraw/zinc/25/81/68/1083258168.db2.gz GKJCVYHONQMVKH-HOTGVXAUSA-N 2 2 322.497 3.186 20 30 DGEDLP CCCCCCC[N@H+](CC)[C@H](C)CNC(=O)CCc1c[nH]c[nH+]1 ZINC001153760522 1088347784 /nfs/dbraw/zinc/34/77/84/1088347784.db2.gz MMTWOHWMVSWIGN-MRXNPFEDSA-N 2 2 322.497 3.139 20 30 DGEDLP CCCCCCC[N@@H+](CC)[C@H](C)CNC(=O)CCc1c[nH]c[nH+]1 ZINC001153760522 1088347800 /nfs/dbraw/zinc/34/78/00/1088347800.db2.gz MMTWOHWMVSWIGN-MRXNPFEDSA-N 2 2 322.497 3.139 20 30 DGEDLP CCCCCCC[N@H+](CC)[C@H](C)CNC(=O)CCc1c[nH+]c[nH]1 ZINC001153760522 1088347814 /nfs/dbraw/zinc/34/78/14/1088347814.db2.gz MMTWOHWMVSWIGN-MRXNPFEDSA-N 2 2 322.497 3.139 20 30 DGEDLP CCCCCCC[N@@H+](CC)[C@H](C)CNC(=O)CCc1c[nH+]c[nH]1 ZINC001153760522 1088347834 /nfs/dbraw/zinc/34/78/34/1088347834.db2.gz MMTWOHWMVSWIGN-MRXNPFEDSA-N 2 2 322.497 3.139 20 30 DGEDLP N#Cc1ccc2cc[nH+]c(N[C@H]3CC[NH2+]C[C@H]3C(F)(F)F)c2c1 ZINC001160739754 1088939374 /nfs/dbraw/zinc/93/93/74/1088939374.db2.gz YGWKVXTWOGJPHO-KGLIPLIRSA-N 2 2 320.318 3.059 20 30 DGEDLP C=CC[NH2+]C[C@H](NC(=O)c1c(C)cc(C)[nH+]c1C)C1CCCC1 ZINC001484003980 1089084186 /nfs/dbraw/zinc/08/41/86/1089084186.db2.gz IAZVCFJIZVUQQP-KRWDZBQOSA-N 2 2 315.461 3.071 20 30 DGEDLP N#Cc1ccc2cc[nH+]c(N3CCCCC34CC[NH2+]CC4)c2c1 ZINC001165333928 1090506315 /nfs/dbraw/zinc/50/63/15/1090506315.db2.gz BAORVHDZYYEFHI-UHFFFAOYSA-N 2 2 306.413 3.219 20 30 DGEDLP N#Cc1cccc(C[N@@H+]2C[C@@H]3C[NH+](Cc4cccs4)C[C@@H]3C2)c1 ZINC001203757660 1090797138 /nfs/dbraw/zinc/79/71/38/1090797138.db2.gz NEAXQPMSWCBXLA-HDICACEKSA-N 2 2 323.465 3.184 20 30 DGEDLP N#Cc1cccc(C[N@H+]2C[C@@H]3C[NH+](Cc4cccs4)C[C@@H]3C2)c1 ZINC001203757660 1090797140 /nfs/dbraw/zinc/79/71/40/1090797140.db2.gz NEAXQPMSWCBXLA-HDICACEKSA-N 2 2 323.465 3.184 20 30 DGEDLP N#Cc1cccc(C[NH+]2C[C@@H]3C[N@H+](Cc4cccs4)C[C@@H]3C2)c1 ZINC001203757660 1090797144 /nfs/dbraw/zinc/79/71/44/1090797144.db2.gz NEAXQPMSWCBXLA-HDICACEKSA-N 2 2 323.465 3.184 20 30 DGEDLP N#Cc1cccc(C[NH+]2C[C@@H]3C[N@@H+](Cc4cccs4)C[C@@H]3C2)c1 ZINC001203757660 1090797147 /nfs/dbraw/zinc/79/71/47/1090797147.db2.gz NEAXQPMSWCBXLA-HDICACEKSA-N 2 2 323.465 3.184 20 30 DGEDLP C=C(C)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1c(C)cc(C)[nH+]c1C ZINC001085279904 1091732121 /nfs/dbraw/zinc/73/21/21/1091732121.db2.gz KLFHSWDZCHLIFV-IAGOWNOFSA-N 2 2 315.461 3.214 20 30 DGEDLP C=CCCC[NH2+][C@H](C)C[C@@H](C)NC(=O)c1c(C)cc(C)[nH+]c1C ZINC001135044240 1094377986 /nfs/dbraw/zinc/37/79/86/1094377986.db2.gz RAGWPMRMYAVPDE-GDBMZVCRSA-N 2 2 317.477 3.460 20 30 DGEDLP CCCCCCC[NH2+][C@H](C)C[C@H](C)NC(=O)CCn1cc[nH+]c1 ZINC001135138104 1094415315 /nfs/dbraw/zinc/41/53/15/1094415315.db2.gz WOIGPYXWALWMKS-SJORKVTESA-N 2 2 322.497 3.117 20 30 DGEDLP CCCCCCC[NH2+][C@@H](C)C[C@H](C)NC(=O)Cc1[nH]c[nH+]c1C ZINC001136036365 1094808558 /nfs/dbraw/zinc/80/85/58/1094808558.db2.gz VZRSTELDLYBLJW-GJZGRUSLSA-N 2 2 322.497 3.104 20 30 DGEDLP C=CCc1cccc(C[N@@H+]2CCC[C@]3(CCCC[NH2+]3)C2)c1O ZINC001222389906 1095587617 /nfs/dbraw/zinc/58/76/17/1095587617.db2.gz IMXXWLQIFZAJCO-LJQANCHMSA-N 2 2 300.446 3.229 20 30 DGEDLP C=CCc1cccc(C[N@H+]2CCC[C@]3(CCCC[NH2+]3)C2)c1O ZINC001222389906 1095587625 /nfs/dbraw/zinc/58/76/25/1095587625.db2.gz IMXXWLQIFZAJCO-LJQANCHMSA-N 2 2 300.446 3.229 20 30 DGEDLP C=CC[NH+]1CCC([NH2+][C@@H]2C[C@@H](C)c3c2c(O)ccc3C)CC1 ZINC001116584179 1095606722 /nfs/dbraw/zinc/60/67/22/1095606722.db2.gz BELGQOMMMRGBOT-GDBMZVCRSA-N 2 2 300.446 3.489 20 30 DGEDLP Cc1cc(C#N)cc(C)c1-c1cccc(C[N@@H+]2CC[C@H]([NH3+])C2)c1 ZINC001222666708 1095713363 /nfs/dbraw/zinc/71/33/63/1095713363.db2.gz NFHWMCWCGMVOBZ-IBGZPJMESA-N 2 2 305.425 3.375 20 30 DGEDLP Cc1cc(C#N)cc(C)c1-c1cccc(C[N@H+]2CC[C@H]([NH3+])C2)c1 ZINC001222666708 1095713368 /nfs/dbraw/zinc/71/33/68/1095713368.db2.gz NFHWMCWCGMVOBZ-IBGZPJMESA-N 2 2 305.425 3.375 20 30 DGEDLP C=CC[NH2+]CCCC[C@H](C)NC(=O)c1c(C)cc(C)[nH+]c1C ZINC001171860739 1096992718 /nfs/dbraw/zinc/99/27/18/1096992718.db2.gz UBZKVJVQVYYXPN-AWEZNQCLSA-N 2 2 303.450 3.071 20 30 DGEDLP COc1ccccc1C1([NH3+])CC[NH+]([C@@H](C)CCCC#N)CC1 ZINC001172486836 1097153092 /nfs/dbraw/zinc/15/30/92/1097153092.db2.gz HSCOPPUUNGRNII-HNNXBMFYSA-N 2 2 301.434 3.027 20 30 DGEDLP C=CCCC[NH2+]CCCC[C@H](C)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001175503665 1098074039 /nfs/dbraw/zinc/07/40/39/1098074039.db2.gz SHRFSQSRKYRESU-IRXDYDNUSA-N 2 2 320.481 3.065 20 30 DGEDLP N#Cc1ccc(C[N@@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)s1 ZINC001232844315 1098150099 /nfs/dbraw/zinc/15/00/99/1098150099.db2.gz YVXQFMSZGMEEIT-OAHLLOKOSA-N 2 2 303.475 3.460 20 30 DGEDLP N#Cc1ccc(C[N@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)s1 ZINC001232844315 1098150102 /nfs/dbraw/zinc/15/01/02/1098150102.db2.gz YVXQFMSZGMEEIT-OAHLLOKOSA-N 2 2 303.475 3.460 20 30 DGEDLP Cc1ccc(C[N@H+]2CC[C@H](Oc3cc[nH+]cc3C)C2)c(C#N)c1 ZINC001232968223 1098186712 /nfs/dbraw/zinc/18/67/12/1098186712.db2.gz FXVUTDAHTAOYDY-SFHVURJKSA-N 2 2 307.397 3.223 20 30 DGEDLP N#Cc1ccc2[nH]cc(C[N@@H+]3CCCC[C@]34CCC[NH2+]C4)c2c1 ZINC001235167643 1098851153 /nfs/dbraw/zinc/85/11/53/1098851153.db2.gz LKSYSJVLNFRDSX-LJQANCHMSA-N 2 2 308.429 3.148 20 30 DGEDLP N#Cc1ccc2[nH]cc(C[N@H+]3CCCC[C@]34CCC[NH2+]C4)c2c1 ZINC001235167643 1098851158 /nfs/dbraw/zinc/85/11/58/1098851158.db2.gz LKSYSJVLNFRDSX-LJQANCHMSA-N 2 2 308.429 3.148 20 30 DGEDLP C=CCOc1ccc(C[N@@H+]2CCCC[C@]23CCC[NH2+]C3)cc1 ZINC001235170305 1098853421 /nfs/dbraw/zinc/85/34/21/1098853421.db2.gz DZESMTFOGSCHOQ-LJQANCHMSA-N 2 2 300.446 3.360 20 30 DGEDLP C=CCOc1ccc(C[N@H+]2CCCC[C@]23CCC[NH2+]C3)cc1 ZINC001235170305 1098853426 /nfs/dbraw/zinc/85/34/26/1098853426.db2.gz DZESMTFOGSCHOQ-LJQANCHMSA-N 2 2 300.446 3.360 20 30 DGEDLP [NH3+][C@]12CC[C@H]1C[N@H+](Cc1ccccc1C#Cc1ccccc1)C2 ZINC001235989730 1099313903 /nfs/dbraw/zinc/31/39/03/1099313903.db2.gz JRZIBPPMYDENIR-SFTDATJTSA-N 2 2 302.421 3.010 20 30 DGEDLP [NH3+][C@]12CC[C@H]1C[N@@H+](Cc1ccccc1C#Cc1ccccc1)C2 ZINC001235989730 1099313917 /nfs/dbraw/zinc/31/39/17/1099313917.db2.gz JRZIBPPMYDENIR-SFTDATJTSA-N 2 2 302.421 3.010 20 30 DGEDLP C[N@H+](Cc1ccc(C#N)c(Br)c1)[C@H]1CCCC[C@H]1[NH3+] ZINC001236219888 1099478314 /nfs/dbraw/zinc/47/83/14/1099478314.db2.gz YCBHISQRHCMPKY-CABCVRRESA-N 2 2 322.250 3.022 20 30 DGEDLP C[N@@H+](Cc1ccc(C#N)c(Br)c1)[C@H]1CCCC[C@H]1[NH3+] ZINC001236219888 1099478319 /nfs/dbraw/zinc/47/83/19/1099478319.db2.gz YCBHISQRHCMPKY-CABCVRRESA-N 2 2 322.250 3.022 20 30 DGEDLP SC1CC[NH+](Cc2ccc(-n3cc[nH+]c3)c(Cl)c2)CC1 ZINC001236915163 1099877291 /nfs/dbraw/zinc/87/72/91/1099877291.db2.gz ZLUOVBSBJRFBRJ-UHFFFAOYSA-N 2 2 307.850 3.420 20 30 DGEDLP C#Cc1ccc(C[N@@H+]2Cc3ccccc3C23CC[NH2+]CC3)cc1 ZINC001237311072 1100071999 /nfs/dbraw/zinc/07/19/99/1100071999.db2.gz ONAMSUJJKHNYRL-UHFFFAOYSA-N 2 2 302.421 3.262 20 30 DGEDLP C#Cc1ccc(C[N@H+]2Cc3ccccc3C23CC[NH2+]CC3)cc1 ZINC001237311072 1100072009 /nfs/dbraw/zinc/07/20/09/1100072009.db2.gz ONAMSUJJKHNYRL-UHFFFAOYSA-N 2 2 302.421 3.262 20 30 DGEDLP C#Cc1ccc(C[NH+]2CCC3(CC2)[NH2+]Cc2ccccc23)cc1 ZINC001237362943 1100094579 /nfs/dbraw/zinc/09/45/79/1100094579.db2.gz FSQXRAHMGNDYEJ-UHFFFAOYSA-N 2 2 302.421 3.262 20 30 DGEDLP N#Cc1cc(-c2ccc(-c3[nH]cc[nH+]3)cc2)cc(C2C[NH2+]C2)c1 ZINC001240357079 1100956717 /nfs/dbraw/zinc/95/67/17/1100956717.db2.gz ZVMMBAIUZCUNRD-UHFFFAOYSA-N 2 2 300.365 3.302 20 30 DGEDLP CC1(C)CC(=O)C=C(c2cccc(C[NH+]3CCC([NH3+])CC3)c2)C1 ZINC001242317338 1102048700 /nfs/dbraw/zinc/04/87/00/1102048700.db2.gz DDFGIFUUTSSEGT-UHFFFAOYSA-N 2 2 312.457 3.382 20 30 DGEDLP CCCCCCCC[C@H](O)C[NH2+]C[C@@]1(F)CCCC[NH2+]C1 ZINC001245993724 1104348970 /nfs/dbraw/zinc/34/89/70/1104348970.db2.gz OXEJNLGEKGZQKQ-DLBZAZTESA-N 2 2 302.478 3.169 20 30 DGEDLP C=CCCCCCC[C@H](O)C[NH2+][C@H](C[NH3+])c1cccc(OC)c1 ZINC001246022920 1104354697 /nfs/dbraw/zinc/35/46/97/1104354697.db2.gz YKJXSGMVQWXPAV-PKOBYXMFSA-N 2 2 320.477 3.172 20 30 DGEDLP C=CCC[C@@H](O)C[N@@H+](Cc1ccc(C)cc1F)C1CC[NH2+]CC1 ZINC001246054623 1104359409 /nfs/dbraw/zinc/35/94/09/1104359409.db2.gz GOWQCRWGZYCMGN-GOSISDBHSA-N 2 2 320.452 3.015 20 30 DGEDLP C=CCC[C@@H](O)C[N@H+](Cc1ccc(C)cc1F)C1CC[NH2+]CC1 ZINC001246054623 1104359421 /nfs/dbraw/zinc/35/94/21/1104359421.db2.gz GOWQCRWGZYCMGN-GOSISDBHSA-N 2 2 320.452 3.015 20 30 DGEDLP C[NH2+][C@@]12CC[C@@]([NH2+]Cc3ccc(Cl)cc3C#N)(C1)CCC2 ZINC001275525049 1104790762 /nfs/dbraw/zinc/79/07/62/1104790762.db2.gz CHQAQYDXTPVIEP-DLBZAZTESA-N 2 2 303.837 3.366 20 30 DGEDLP C=C(C)CC[N@@H+](C)[C@@H](C)CNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001275887084 1104945177 /nfs/dbraw/zinc/94/51/77/1104945177.db2.gz KKCPNVVOCAVJSX-HNNXBMFYSA-N 2 2 303.450 3.023 20 30 DGEDLP C=C(C)CC[N@H+](C)[C@@H](C)CNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001275887084 1104945178 /nfs/dbraw/zinc/94/51/78/1104945178.db2.gz KKCPNVVOCAVJSX-HNNXBMFYSA-N 2 2 303.450 3.023 20 30 DGEDLP C=C(C)C[NH2+]C[C@H](CCCC)NC(=O)c1c(C)cc(C)[nH+]c1C ZINC001276261170 1105065739 /nfs/dbraw/zinc/06/57/39/1105065739.db2.gz APCQSJQRCSPSAY-KRWDZBQOSA-N 2 2 317.477 3.461 20 30 DGEDLP CCCCCCCC[C@@H](O)C[NH+]1CCc2[nH]c(C)[nH+]c2CC1 ZINC001252127206 1105745516 /nfs/dbraw/zinc/74/55/16/1105745516.db2.gz YKNHJPIHHCLQHX-MRXNPFEDSA-N 2 2 307.482 3.230 20 30 DGEDLP C[C@@H]1C[C@H]([NH2+]Cc2cc(C#N)co2)CC[N@@H+]1Cc1ccccc1 ZINC001256535030 1106435640 /nfs/dbraw/zinc/43/56/40/1106435640.db2.gz CCYPJRNBKUIXPP-CRAIPNDOSA-N 2 2 309.413 3.294 20 30 DGEDLP C[C@@H]1C[C@H]([NH2+]Cc2cc(C#N)co2)CC[N@H+]1Cc1ccccc1 ZINC001256535030 1106435642 /nfs/dbraw/zinc/43/56/42/1106435642.db2.gz CCYPJRNBKUIXPP-CRAIPNDOSA-N 2 2 309.413 3.294 20 30 DGEDLP Cc1cc([NH2+][C@@H]2CCC[C@@H](C#N)C2)ccc1N1CC[NH+](C)CC1 ZINC001320864408 1107166168 /nfs/dbraw/zinc/16/61/68/1107166168.db2.gz HCYWBHAKSBYZBD-IAGOWNOFSA-N 2 2 312.461 3.241 20 30 DGEDLP C=CCC[C@H](C)[N@H+](C)CCNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001317455949 1107403282 /nfs/dbraw/zinc/40/32/82/1107403282.db2.gz VXXOQAAMMFCQMN-HNNXBMFYSA-N 2 2 303.450 3.023 20 30 DGEDLP C=CCC[C@H](C)[N@@H+](C)CCNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001317455949 1107403290 /nfs/dbraw/zinc/40/32/90/1107403290.db2.gz VXXOQAAMMFCQMN-HNNXBMFYSA-N 2 2 303.450 3.023 20 30 DGEDLP Cc1cccc(NC[C@@H]2CCC[N@@H+]2Cc2ccc(C#N)cc2)[nH+]1 ZINC001325000780 1108553837 /nfs/dbraw/zinc/55/38/37/1108553837.db2.gz IKAMBWFXHOSSCM-SFHVURJKSA-N 2 2 306.413 3.338 20 30 DGEDLP Cc1cccc(NC[C@@H]2CCC[N@H+]2Cc2ccc(C#N)cc2)[nH+]1 ZINC001325000780 1108553847 /nfs/dbraw/zinc/55/38/47/1108553847.db2.gz IKAMBWFXHOSSCM-SFHVURJKSA-N 2 2 306.413 3.338 20 30 DGEDLP C=CCC[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001265488172 1108887363 /nfs/dbraw/zinc/88/73/63/1108887363.db2.gz VKYUJHDARDPCOE-KBRIMQKVSA-N 2 2 315.461 3.212 20 30 DGEDLP N#CCCC[NH2+]Cc1ccc(OCCn2cc[nH+]c2)c(Cl)c1 ZINC001308368973 1111422954 /nfs/dbraw/zinc/42/29/54/1111422954.db2.gz DPCMNWYFWYCSIC-UHFFFAOYSA-N 2 2 318.808 3.009 20 30 DGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]C(C3CC3)C3CC3)CC2)cc1 ZINC000181589109 199323661 /nfs/dbraw/zinc/32/36/61/199323661.db2.gz BICNCGYKNCRFQG-UHFFFAOYSA-N 2 2 309.457 3.301 20 30 DGEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CCCOc3cc(C)ccc32)CC1 ZINC000177906300 186202077 /nfs/dbraw/zinc/20/20/77/186202077.db2.gz NLDHROFCGOZGPW-GOSISDBHSA-N 2 2 300.446 3.449 20 30 DGEDLP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+]Cc2cccc(C#N)c2)C1 ZINC000237447880 186290469 /nfs/dbraw/zinc/29/04/69/186290469.db2.gz VXKRFWRFSLWPBB-OXQOHEQNSA-N 2 2 305.425 3.483 20 30 DGEDLP C[C@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+]Cc2cccc(C#N)c2)C1 ZINC000237447880 186290470 /nfs/dbraw/zinc/29/04/70/186290470.db2.gz VXKRFWRFSLWPBB-OXQOHEQNSA-N 2 2 305.425 3.483 20 30 DGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]Cc3ccc(F)cc3)CC2)cc1 ZINC000181387036 283139246 /nfs/dbraw/zinc/13/92/46/283139246.db2.gz ALCTXWUZTWPKHW-UHFFFAOYSA-N 2 2 323.415 3.452 20 30 DGEDLP N#Cc1ccc(F)c(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000134884129 432088100 /nfs/dbraw/zinc/08/81/00/432088100.db2.gz BGRSMVCDEQPTIM-DNVCBOLYSA-N 2 2 313.420 3.146 20 30 DGEDLP N#Cc1ccc(F)c(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c1 ZINC000134884129 432088094 /nfs/dbraw/zinc/08/80/94/432088094.db2.gz BGRSMVCDEQPTIM-DNVCBOLYSA-N 2 2 313.420 3.146 20 30 DGEDLP N#Cc1ccc(F)c(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c1 ZINC000134884129 432088097 /nfs/dbraw/zinc/08/80/97/432088097.db2.gz BGRSMVCDEQPTIM-DNVCBOLYSA-N 2 2 313.420 3.146 20 30 DGEDLP N#Cc1ccc(F)c(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000134884129 432088099 /nfs/dbraw/zinc/08/80/99/432088099.db2.gz BGRSMVCDEQPTIM-DNVCBOLYSA-N 2 2 313.420 3.146 20 30 DGEDLP CC[N@@H+]1CC[C@H]([NH2+]CC#Cc2ccc(C(F)(F)F)cc2)[C@@H](C)C1 ZINC000246329651 432119397 /nfs/dbraw/zinc/11/93/97/432119397.db2.gz FYCCOCZILLHFTM-YOEHRIQHSA-N 2 2 324.390 3.377 20 30 DGEDLP CC[N@H+]1CC[C@H]([NH2+]CC#Cc2ccc(C(F)(F)F)cc2)[C@@H](C)C1 ZINC000246329651 432119398 /nfs/dbraw/zinc/11/93/98/432119398.db2.gz FYCCOCZILLHFTM-YOEHRIQHSA-N 2 2 324.390 3.377 20 30 DGEDLP C=CC[NH+](CC=C)[C@H](C[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCC2)C(C)C ZINC000488090590 245144154 /nfs/dbraw/zinc/14/41/54/245144154.db2.gz SOXYGIBRMWDBDS-MKXGPGLRSA-N 2 2 318.505 3.232 20 30 DGEDLP Cc1cc(C[N@@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)ccc1C#N ZINC000488149101 245154207 /nfs/dbraw/zinc/15/42/07/245154207.db2.gz KTJPMCKURAFVSB-MRXNPFEDSA-N 2 2 308.429 3.055 20 30 DGEDLP N#Cc1ccc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c(F)c1 ZINC000246552268 432144436 /nfs/dbraw/zinc/14/44/36/432144436.db2.gz KKVVMJKTTJOJOS-LPHOPBHVSA-N 2 2 313.420 3.146 20 30 DGEDLP N#Cc1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c(F)c1 ZINC000246552268 432144439 /nfs/dbraw/zinc/14/44/39/432144439.db2.gz KKVVMJKTTJOJOS-LPHOPBHVSA-N 2 2 313.420 3.146 20 30 DGEDLP N#Cc1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c(F)c1 ZINC000246552268 432144440 /nfs/dbraw/zinc/14/44/40/432144440.db2.gz KKVVMJKTTJOJOS-LPHOPBHVSA-N 2 2 313.420 3.146 20 30 DGEDLP C[C@@H]1[C@H]([NH2+]Cc2cccc(C#N)c2)CC[N@@H+]1Cc1ccccc1 ZINC000336716885 252998306 /nfs/dbraw/zinc/99/83/06/252998306.db2.gz PYBUTMQETUIHOI-OXQOHEQNSA-N 2 2 305.425 3.311 20 30 DGEDLP C[C@@H]1[C@H]([NH2+]Cc2cccc(C#N)c2)CC[N@H+]1Cc1ccccc1 ZINC000336716885 252998308 /nfs/dbraw/zinc/99/83/08/252998308.db2.gz PYBUTMQETUIHOI-OXQOHEQNSA-N 2 2 305.425 3.311 20 30 DGEDLP N#CC1(CC[N@@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)CCCCC1 ZINC000595471899 400161675 /nfs/dbraw/zinc/16/16/75/400161675.db2.gz GKRNXOGRLRWDCT-GOSISDBHSA-N 2 2 319.493 3.037 20 30 DGEDLP N#CC1(CC[N@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)CCCCC1 ZINC000595471899 400161678 /nfs/dbraw/zinc/16/16/78/400161678.db2.gz GKRNXOGRLRWDCT-GOSISDBHSA-N 2 2 319.493 3.037 20 30 DGEDLP C[N@@H+]1CC[C@@H]([NH2+]CCc2ccc(C#N)cc2)[C@@H]1c1ccccc1 ZINC000595474831 400162742 /nfs/dbraw/zinc/16/27/42/400162742.db2.gz FRQAIMSLUZGQTF-UXHICEINSA-N 2 2 305.425 3.136 20 30 DGEDLP C[N@H+]1CC[C@@H]([NH2+]CCc2ccc(C#N)cc2)[C@@H]1c1ccccc1 ZINC000595474831 400162745 /nfs/dbraw/zinc/16/27/45/400162745.db2.gz FRQAIMSLUZGQTF-UXHICEINSA-N 2 2 305.425 3.136 20 30 DGEDLP CCC[N@H+](Cc1ccc(C#N)cc1C(F)(F)F)[C@H]1CC[NH2+]C1 ZINC000595893568 400289268 /nfs/dbraw/zinc/28/92/68/400289268.db2.gz RKFWTLMMBLMFGY-AWEZNQCLSA-N 2 2 311.351 3.151 20 30 DGEDLP CCC[N@@H+](Cc1ccc(C#N)cc1C(F)(F)F)[C@H]1CC[NH2+]C1 ZINC000595893568 400289272 /nfs/dbraw/zinc/28/92/72/400289272.db2.gz RKFWTLMMBLMFGY-AWEZNQCLSA-N 2 2 311.351 3.151 20 30 DGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@@H]3CCC(F)(F)C3)CC2)cc1 ZINC000611475942 400408301 /nfs/dbraw/zinc/40/83/01/400408301.db2.gz WUWXIXNYDBDQPR-QGZVFWFLSA-N 2 2 319.399 3.300 20 30 DGEDLP C[C@@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1)c1ccc(C#N)cc1 ZINC000596648742 400471963 /nfs/dbraw/zinc/47/19/63/400471963.db2.gz FKRIOLMVHVSODB-JSNMRZPZSA-N 2 2 323.415 3.494 20 30 DGEDLP C[C@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1)c1cccc(C#N)c1 ZINC000596650908 400472235 /nfs/dbraw/zinc/47/22/35/400472235.db2.gz SEQKYXOHWJJJLT-VHKYSDTDSA-N 2 2 323.415 3.494 20 30 DGEDLP COc1cc(C#N)ccc1C[NH+]1CCC(C)([NH+]2CCCC2)CC1 ZINC000602951533 400613754 /nfs/dbraw/zinc/61/37/54/400613754.db2.gz QNGSJKQBKZRLAQ-UHFFFAOYSA-N 2 2 313.445 3.017 20 30 DGEDLP C[C@@H]1SCC[C@@H]1[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000592380878 400642522 /nfs/dbraw/zinc/64/25/22/400642522.db2.gz SMKSLYQTDNUVMS-KSSFIOAISA-N 2 2 315.486 3.006 20 30 DGEDLP Cc1cccc2[nH+]c(CC[NH2+][C@H]3CCc4ccc(C#N)cc43)cn21 ZINC000592404810 400646831 /nfs/dbraw/zinc/64/68/31/400646831.db2.gz XHFIXUYADDYHDP-IBGZPJMESA-N 2 2 316.408 3.334 20 30 DGEDLP C[C@H]([NH2+]C1CC[NH+](Cc2cccc(C#N)c2)CC1)c1cccnc1 ZINC000593183680 400784738 /nfs/dbraw/zinc/78/47/38/400784738.db2.gz GOOCQRRCAOAKSI-INIZCTEOSA-N 2 2 320.440 3.268 20 30 DGEDLP C[C@@H]([NH2+]C1CC[NH+](Cc2cccc(C#N)c2)CC1)c1ccncc1 ZINC000593183538 400784808 /nfs/dbraw/zinc/78/48/08/400784808.db2.gz AUFDWZYVHUFRET-MRXNPFEDSA-N 2 2 320.440 3.268 20 30 DGEDLP N#Cc1cccc(C[NH+]2CCC([NH2+]Cc3cccc(O)c3)CC2)c1 ZINC000593687199 400891064 /nfs/dbraw/zinc/89/10/64/400891064.db2.gz FYSSGCJCRAYKSB-UHFFFAOYSA-N 2 2 321.424 3.018 20 30 DGEDLP N#Cc1cccc(C[NH+]2CCC([NH2+]Cc3ccccc3)CC2)c1 ZINC000593688491 400892158 /nfs/dbraw/zinc/89/21/58/400892158.db2.gz UJYPLXRQXCQTMN-UHFFFAOYSA-N 2 2 305.425 3.312 20 30 DGEDLP C[C@H]1C[C@H]([NH2+]Cc2cccc(C#N)c2)C[N@@H+]1Cc1ccccc1 ZINC000151320593 227059457 /nfs/dbraw/zinc/05/94/57/227059457.db2.gz WSONVNCTUQMXRP-JXFKEZNVSA-N 2 2 305.425 3.311 20 30 DGEDLP C[C@H]1C[C@H]([NH2+]Cc2cccc(C#N)c2)C[N@H+]1Cc1ccccc1 ZINC000151320593 227059465 /nfs/dbraw/zinc/05/94/65/227059465.db2.gz WSONVNCTUQMXRP-JXFKEZNVSA-N 2 2 305.425 3.311 20 30 DGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@H]3CC[C@@H](F)C3)CC2)cc1 ZINC000348410319 268065452 /nfs/dbraw/zinc/06/54/52/268065452.db2.gz OHPGJODQFQITDV-AEFFLSMTSA-N 2 2 301.409 3.003 20 30 DGEDLP CC[N@@H+]1CC[C@H]([NH2+]CC#Cc2ccc(C(F)(F)F)cc2)[C@H](C)C1 ZINC000090180584 276228350 /nfs/dbraw/zinc/22/83/50/276228350.db2.gz FYCCOCZILLHFTM-PBHICJAKSA-N 2 2 324.390 3.377 20 30 DGEDLP CC[N@H+]1CC[C@H]([NH2+]CC#Cc2ccc(C(F)(F)F)cc2)[C@H](C)C1 ZINC000090180584 276228351 /nfs/dbraw/zinc/22/83/51/276228351.db2.gz FYCCOCZILLHFTM-PBHICJAKSA-N 2 2 324.390 3.377 20 30 DGEDLP C=CC[NH+]1CCC([NH2+][C@H](C)c2nc3c(s2)CCCC3)CC1 ZINC000093405876 431914269 /nfs/dbraw/zinc/91/42/69/431914269.db2.gz VNVRFMGERNBHRQ-CYBMUJFWSA-N 2 2 305.491 3.323 20 30 DGEDLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000091892490 431906593 /nfs/dbraw/zinc/90/65/93/431906593.db2.gz NNFXGQXXXGMDJZ-JQHSSLGASA-N 2 2 313.445 3.036 20 30 DGEDLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000091892490 431906595 /nfs/dbraw/zinc/90/65/95/431906595.db2.gz NNFXGQXXXGMDJZ-JQHSSLGASA-N 2 2 313.445 3.036 20 30 DGEDLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000091892490 431906598 /nfs/dbraw/zinc/90/65/98/431906598.db2.gz NNFXGQXXXGMDJZ-JQHSSLGASA-N 2 2 313.445 3.036 20 30 DGEDLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000091892490 431906600 /nfs/dbraw/zinc/90/66/00/431906600.db2.gz NNFXGQXXXGMDJZ-JQHSSLGASA-N 2 2 313.445 3.036 20 30 DGEDLP C[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc(C#N)o2)[C@@H]1c1cccs1 ZINC000174460234 432349523 /nfs/dbraw/zinc/34/95/23/432349523.db2.gz DIBBJPIRORKHML-CXAGYDPISA-N 2 2 315.442 3.385 20 30 DGEDLP C[N@H+]1CCC[C@H](C[NH2+]Cc2ccc(C#N)o2)[C@@H]1c1cccs1 ZINC000174460234 432349528 /nfs/dbraw/zinc/34/95/28/432349528.db2.gz DIBBJPIRORKHML-CXAGYDPISA-N 2 2 315.442 3.385 20 30 DGEDLP N#Cc1ccc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)s1 ZINC000252802473 432387963 /nfs/dbraw/zinc/38/79/63/432387963.db2.gz MPICXJGJQVEVJX-GUYCJALGSA-N 2 2 301.459 3.068 20 30 DGEDLP N#Cc1ccc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)s1 ZINC000252802473 432387967 /nfs/dbraw/zinc/38/79/67/432387967.db2.gz MPICXJGJQVEVJX-GUYCJALGSA-N 2 2 301.459 3.068 20 30 DGEDLP N#Cc1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)s1 ZINC000252802473 432387971 /nfs/dbraw/zinc/38/79/71/432387971.db2.gz MPICXJGJQVEVJX-GUYCJALGSA-N 2 2 301.459 3.068 20 30 DGEDLP N#Cc1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)s1 ZINC000252802473 432387972 /nfs/dbraw/zinc/38/79/72/432387972.db2.gz MPICXJGJQVEVJX-GUYCJALGSA-N 2 2 301.459 3.068 20 30 DGEDLP Clc1cccc(C#CC[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c1 ZINC000153548424 432419145 /nfs/dbraw/zinc/41/91/45/432419145.db2.gz NQWZXCPJXPSCKC-SFHVURJKSA-N 2 2 316.876 3.499 20 30 DGEDLP Clc1cccc(C#CC[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c1 ZINC000153548424 432419151 /nfs/dbraw/zinc/41/91/51/432419151.db2.gz NQWZXCPJXPSCKC-SFHVURJKSA-N 2 2 316.876 3.499 20 30 DGEDLP N#CCOc1ccc(C[NH+]2CCC([NH+]3CCCCC3)CC2)cc1 ZINC000264121857 432617071 /nfs/dbraw/zinc/61/70/71/432617071.db2.gz KTWKAGMSDOJRAG-UHFFFAOYSA-N 2 2 313.445 3.039 20 30 DGEDLP C=CC[NH+]1CCC([NH2+][C@H](C)c2ccc(F)cc2N(C)C)CC1 ZINC000177911421 432673660 /nfs/dbraw/zinc/67/36/60/432673660.db2.gz UBFLPZTZSCAGCK-CQSZACIVSA-N 2 2 305.441 3.193 20 30 DGEDLP FC(F)(F)c1ccc(C#CC[NH2+]C2CC[NH+](C3CC3)CC2)cc1 ZINC000297609173 432999087 /nfs/dbraw/zinc/99/90/87/432999087.db2.gz KMNBYJHPYIGNBX-UHFFFAOYSA-N 2 2 322.374 3.273 20 30 DGEDLP Cc1[nH+]cc(C[NH2+]CCc2cccc(C#N)c2)n1-c1ccccc1 ZINC000341464166 433073825 /nfs/dbraw/zinc/07/38/25/433073825.db2.gz POQUOTDDUWVWRA-UHFFFAOYSA-N 2 2 316.408 3.385 20 30 DGEDLP C[N@H+](CCC[NH2+]Cc1ccc(C#N)cc1F)Cc1ccccc1 ZINC000302832537 433877637 /nfs/dbraw/zinc/87/76/37/433877637.db2.gz JGTRYNAGKCGMCW-UHFFFAOYSA-N 2 2 311.404 3.309 20 30 DGEDLP C[N@@H+](CCC[NH2+]Cc1ccc(C#N)cc1F)Cc1ccccc1 ZINC000302832537 433877648 /nfs/dbraw/zinc/87/76/48/433877648.db2.gz JGTRYNAGKCGMCW-UHFFFAOYSA-N 2 2 311.404 3.309 20 30 DGEDLP C=CC[NH+](CC=C)[C@H](C[NH2+][C@H]1CCC12CCOCC2)C(C)C ZINC000377117850 433846289 /nfs/dbraw/zinc/84/62/89/433846289.db2.gz AYQLFPBCDBHPCP-MSOLQXFVSA-N 2 2 306.494 3.234 20 30 DGEDLP C[C@@H]([NH2+]C1CC[NH+](Cc2cccnc2)CC1)c1ccc(C#N)cc1 ZINC000357997086 434279872 /nfs/dbraw/zinc/27/98/72/434279872.db2.gz URBRBQCOYNSUSO-MRXNPFEDSA-N 2 2 320.440 3.268 20 30 DGEDLP C=CCC[C@@H](Nc1ccc(N2CC[NH2+]CC2)c[nH+]1)c1ccco1 ZINC000423233421 434298972 /nfs/dbraw/zinc/29/89/72/434298972.db2.gz OHURPGFXTZVDTC-MRXNPFEDSA-N 2 2 312.417 3.204 20 30 DGEDLP C[C@H]([NH2+][C@@H]1C[NH2+]C[C@H]1c1ccccc1)c1ccc(C#N)c(F)c1 ZINC000423498927 434461705 /nfs/dbraw/zinc/46/17/05/434461705.db2.gz BMWDCFXOIWYCHB-SOVGHPHASA-N 2 2 309.388 3.104 20 30 DGEDLP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000367014658 434535834 /nfs/dbraw/zinc/53/58/34/434535834.db2.gz WYIPDVYZZYZQBU-RTBURBONSA-N 2 2 308.429 3.353 20 30 DGEDLP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000367014658 434535845 /nfs/dbraw/zinc/53/58/45/434535845.db2.gz WYIPDVYZZYZQBU-RTBURBONSA-N 2 2 308.429 3.353 20 30 DGEDLP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2Cl)C1 ZINC000439451158 434604916 /nfs/dbraw/zinc/60/49/16/434604916.db2.gz LUQIFTXNISZYPX-HNNXBMFYSA-N 2 2 305.853 3.375 20 30 DGEDLP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2Cl)C1 ZINC000439451158 434604921 /nfs/dbraw/zinc/60/49/21/434604921.db2.gz LUQIFTXNISZYPX-HNNXBMFYSA-N 2 2 305.853 3.375 20 30 DGEDLP Cc1cc(NC(=O)[C@H]([NH3+])CCCC#N)ccc1Oc1cc[nH+]cc1 ZINC000424175275 434647483 /nfs/dbraw/zinc/64/74/83/434647483.db2.gz UETOSRJRVJLDDA-MRXNPFEDSA-N 2 2 324.384 3.142 20 30 DGEDLP COc1cc(C[NH2+][C@@H](C)[C@@H](c2ccccc2)[NH+](C)C)ccc1C#N ZINC000440645326 434729198 /nfs/dbraw/zinc/72/91/98/434729198.db2.gz LNGDIMSJYCEBHJ-YWZLYKJASA-N 2 2 323.440 3.348 20 30 DGEDLP C=CC[NH+]1CCC([NH2+][C@@H]2C[C@@H](OC(C)(C)C)C23CCC3)CC1 ZINC000638524678 435046575 /nfs/dbraw/zinc/04/65/75/435046575.db2.gz QUOBKSIQKJHNOJ-IAGOWNOFSA-N 2 2 306.494 3.353 20 30 DGEDLP C=CC[NH+]1CCC([NH2+]Cc2ccc3ccc(F)c(F)c3n2)CC1 ZINC000638525609 435046921 /nfs/dbraw/zinc/04/69/21/435046921.db2.gz ZHWKQGRJUGCRPJ-UHFFFAOYSA-N 2 2 317.383 3.253 20 30 DGEDLP Cn1c[nH+]cc1CCC[N@@H+]1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000514869936 435446309 /nfs/dbraw/zinc/44/63/09/435446309.db2.gz DWNYDULDKLYHKF-OALUTQOASA-N 2 2 308.429 3.124 20 30 DGEDLP Cn1c[nH+]cc1CCC[N@H+]1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000514869936 435446315 /nfs/dbraw/zinc/44/63/15/435446315.db2.gz DWNYDULDKLYHKF-OALUTQOASA-N 2 2 308.429 3.124 20 30 DGEDLP C=CCC(C)(C)C[NH2+]C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000572357221 435817119 /nfs/dbraw/zinc/81/71/19/435817119.db2.gz JTMOAONBJVWVBB-INIZCTEOSA-N 2 2 315.461 3.206 20 30 DGEDLP C=CC[NH+]1CCC([NH2+]Cc2cc(F)ccc2OC(F)F)CC1 ZINC000657353750 436154900 /nfs/dbraw/zinc/15/49/00/436154900.db2.gz VTCYKSJYYCKDAA-UHFFFAOYSA-N 2 2 314.351 3.167 20 30 DGEDLP C=CCOc1ccc(C[NH2+]C[C@H]2CC[N@@H+]2C(C)(C)C)cc1OC ZINC000657522817 436231528 /nfs/dbraw/zinc/23/15/28/436231528.db2.gz DYRDCYVUXGSNJX-MRXNPFEDSA-N 2 2 318.461 3.222 20 30 DGEDLP C=CCOc1ccc(C[NH2+]C[C@H]2CC[N@H+]2C(C)(C)C)cc1OC ZINC000657522817 436231534 /nfs/dbraw/zinc/23/15/34/436231534.db2.gz DYRDCYVUXGSNJX-MRXNPFEDSA-N 2 2 318.461 3.222 20 30 DGEDLP C[C@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1ccc(C#N)cc1Cl ZINC000555788494 314736167 /nfs/dbraw/zinc/73/61/67/314736167.db2.gz KUONZZYJKUDLAF-AAEUAGOBSA-N 2 2 300.793 3.074 20 30 DGEDLP C[C@H]([NH2+]Cc1ccc(F)cc1C#N)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185724439 323394190 /nfs/dbraw/zinc/39/41/90/323394190.db2.gz RQRSHHIURIPENF-HOCLYGCPSA-N 2 2 315.436 3.440 20 30 DGEDLP C[C@H]([NH2+]Cc1ccc(F)cc1C#N)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185724439 323394196 /nfs/dbraw/zinc/39/41/96/323394196.db2.gz RQRSHHIURIPENF-HOCLYGCPSA-N 2 2 315.436 3.440 20 30 DGEDLP C[C@H]1CCC[N@H+](Cc2ccccc2C[NH2+]C[C@H](C#N)CCC#N)C1 ZINC000548788281 341275615 /nfs/dbraw/zinc/27/56/15/341275615.db2.gz CMZYKSHJGOGCOI-ROUUACIJSA-N 2 2 324.472 3.452 20 30 DGEDLP C[C@H]1CCC[N@@H+](Cc2ccccc2C[NH2+]C[C@H](C#N)CCC#N)C1 ZINC000548788281 341275616 /nfs/dbraw/zinc/27/56/16/341275616.db2.gz CMZYKSHJGOGCOI-ROUUACIJSA-N 2 2 324.472 3.452 20 30 DGEDLP C=C[C@H]1CCCC[N@H+]1C[C@@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000489490820 534695975 /nfs/dbraw/zinc/69/59/75/534695975.db2.gz OHAIDBWUKCYZFK-DLBZAZTESA-N 2 2 313.445 3.055 20 30 DGEDLP C=C[C@H]1CCCC[N@@H+]1C[C@@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000489490820 534695977 /nfs/dbraw/zinc/69/59/77/534695977.db2.gz OHAIDBWUKCYZFK-DLBZAZTESA-N 2 2 313.445 3.055 20 30 DGEDLP C=CC[NH+]1CCC([NH2+][C@H](COCc2ccccc2)C(C)C)CC1 ZINC000446826762 526453978 /nfs/dbraw/zinc/45/39/78/526453978.db2.gz PXPFKVWWEQTKSW-HXUWFJFHSA-N 2 2 316.489 3.468 20 30 DGEDLP C=C(C)C[NH+](CC[C@H]1CCCC[N@H+]1C)Cc1ccc(CO)o1 ZINC000352800300 526553910 /nfs/dbraw/zinc/55/39/10/526553910.db2.gz HOSVHMOPBUXNNR-MRXNPFEDSA-N 2 2 306.450 3.024 20 30 DGEDLP C=C(C)C[NH+](CC[C@H]1CCCC[N@@H+]1C)Cc1ccc(CO)o1 ZINC000352800300 526553917 /nfs/dbraw/zinc/55/39/17/526553917.db2.gz HOSVHMOPBUXNNR-MRXNPFEDSA-N 2 2 306.450 3.024 20 30 DGEDLP C=C(C)C[N@@H+](CC[C@H]1CCCC[NH+]1C)Cc1ccc(CO)o1 ZINC000352800300 526553921 /nfs/dbraw/zinc/55/39/21/526553921.db2.gz HOSVHMOPBUXNNR-MRXNPFEDSA-N 2 2 306.450 3.024 20 30 DGEDLP C=C(C)C[N@H+](CC[C@H]1CCCC[NH+]1C)Cc1ccc(CO)o1 ZINC000352800300 526553926 /nfs/dbraw/zinc/55/39/26/526553926.db2.gz HOSVHMOPBUXNNR-MRXNPFEDSA-N 2 2 306.450 3.024 20 30 DGEDLP C=CCSCC[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000181924621 527003267 /nfs/dbraw/zinc/00/32/67/527003267.db2.gz NDYWUZBXEUOQAT-UHFFFAOYSA-N 2 2 315.486 3.031 20 30 DGEDLP C=CCC[C@@H]([NH2+]CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccco1 ZINC000353456735 527447292 /nfs/dbraw/zinc/44/72/92/527447292.db2.gz WTJUXVNAKYOFSN-IXDOHACOSA-N 2 2 306.450 3.376 20 30 DGEDLP C=CCC[C@@H]([NH2+]CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccco1 ZINC000353456735 527447296 /nfs/dbraw/zinc/44/72/96/527447296.db2.gz WTJUXVNAKYOFSN-IXDOHACOSA-N 2 2 306.450 3.376 20 30 DGEDLP N#Cc1cc(CN(c2cccc[nH+]2)[C@H]2CC[C@H]([NH3+])CC2)cs1 ZINC000895131812 618546562 /nfs/dbraw/zinc/54/65/62/618546562.db2.gz LFGIWSCCQVAISV-SHTZXODSSA-N 2 2 312.442 3.291 20 30 DGEDLP CC[C@@H]([NH2+]CC1CC[NH+](CC)CC1)c1cccc(C#N)c1O ZINC000924953548 618748087 /nfs/dbraw/zinc/74/80/87/618748087.db2.gz DAKWIZWOHIEGDV-QGZVFWFLSA-N 2 2 301.434 3.036 20 30 DGEDLP C=CCC[C@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)[C@@]1(C)CCCCO1 ZINC000902993719 619700635 /nfs/dbraw/zinc/70/06/35/619700635.db2.gz WTWSCKXMEFIDMR-JCGIZDLHSA-N 2 2 303.450 3.151 20 30 DGEDLP N#CC1(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)CC1 ZINC000903105464 619717445 /nfs/dbraw/zinc/71/74/45/619717445.db2.gz CJUSCVOITPKCGM-IPMKNSEASA-N 2 2 309.457 3.323 20 30 DGEDLP N#CC1(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)CC1 ZINC000903105464 619717447 /nfs/dbraw/zinc/71/74/47/619717447.db2.gz CJUSCVOITPKCGM-IPMKNSEASA-N 2 2 309.457 3.323 20 30 DGEDLP N#Cc1cc(C[NH2+]CCC[N@@H+]2CCc3ccccc3C2)cs1 ZINC000921503085 620875928 /nfs/dbraw/zinc/87/59/28/620875928.db2.gz QTWROGHLHUSGMC-UHFFFAOYSA-N 2 2 311.454 3.158 20 30 DGEDLP N#Cc1cc(C[NH2+]CCC[N@H+]2CCc3ccccc3C2)cs1 ZINC000921503085 620875929 /nfs/dbraw/zinc/87/59/29/620875929.db2.gz QTWROGHLHUSGMC-UHFFFAOYSA-N 2 2 311.454 3.158 20 30 DGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@H]3CCCC[C@H]3F)CC2)cc1 ZINC000865697090 621979348 /nfs/dbraw/zinc/97/93/48/621979348.db2.gz SCFYZJHOYCKRRN-MOPGFXCFSA-N 2 2 315.436 3.393 20 30 DGEDLP CS[C@H]1C[C@H]([NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000865733251 621985321 /nfs/dbraw/zinc/98/53/21/621985321.db2.gz GPJRDIZUCVSRDV-IYARVYRRSA-N 2 2 315.486 3.006 20 30 DGEDLP C[C@H]([NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1)c1cccc(C#N)c1O ZINC000866215408 622067825 /nfs/dbraw/zinc/06/78/25/622067825.db2.gz LOLGACSFHNREON-LBPRGKRZSA-N 2 2 301.434 3.224 20 30 DGEDLP C[C@H]([NH2+]CCC[N@@H+]1CCCC[C@H]1C)c1cccc(C#N)c1O ZINC000866218331 622068386 /nfs/dbraw/zinc/06/83/86/622068386.db2.gz NEQHABAFCXLSBG-CABCVRRESA-N 2 2 301.434 3.179 20 30 DGEDLP C[C@H]([NH2+]CCC[N@H+]1CCCC[C@H]1C)c1cccc(C#N)c1O ZINC000866218331 622068388 /nfs/dbraw/zinc/06/83/88/622068388.db2.gz NEQHABAFCXLSBG-CABCVRRESA-N 2 2 301.434 3.179 20 30 DGEDLP C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1)c1cccc(C#N)c1O ZINC000866234416 622071823 /nfs/dbraw/zinc/07/18/23/622071823.db2.gz SHSQWRJVMRFZTE-HZPDHXFCSA-N 2 2 315.461 3.427 20 30 DGEDLP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H](C)C1)c1cccc(C#N)c1O ZINC000866234416 622071825 /nfs/dbraw/zinc/07/18/25/622071825.db2.gz SHSQWRJVMRFZTE-HZPDHXFCSA-N 2 2 315.461 3.427 20 30 DGEDLP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@H](C)c2cccc(C#N)c2O)C1 ZINC000866259541 622078120 /nfs/dbraw/zinc/07/81/20/622078120.db2.gz CIURZOLSWIOAIW-CABCVRRESA-N 2 2 301.434 3.035 20 30 DGEDLP C[C@@H]1CCC[N@@H+]1CC[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000768401207 622454668 /nfs/dbraw/zinc/45/46/68/622454668.db2.gz DFNIGYGOUAIFJJ-QHGAOEGBSA-N 2 2 311.473 3.464 20 30 DGEDLP C[C@@H]1CCC[N@H+]1CC[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000768401207 622454670 /nfs/dbraw/zinc/45/46/70/622454670.db2.gz DFNIGYGOUAIFJJ-QHGAOEGBSA-N 2 2 311.473 3.464 20 30 DGEDLP C#CCOc1cccc(Cl)c1C[NH2+][C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000778177164 623621504 /nfs/dbraw/zinc/62/15/04/623621504.db2.gz PQTVBVHWANGTGA-GJZGRUSLSA-N 2 2 320.864 3.314 20 30 DGEDLP C#CCOc1ccccc1C[NH+]1CCC(CC)([NH+](C)C)CC1 ZINC000877689290 623992586 /nfs/dbraw/zinc/99/25/86/623992586.db2.gz DEZSIIVWGQQDHY-UHFFFAOYSA-N 2 2 300.446 3.005 20 30 DGEDLP CC(C)(C)[C@@H](Cn1cc[nH+]c1)[NH2+][C@H]1CCc2ccc(C#N)cc21 ZINC000810211802 626988050 /nfs/dbraw/zinc/98/80/50/626988050.db2.gz WHDSMZAIBNCHBZ-ZWKOTPCHSA-N 2 2 308.429 3.447 20 30 DGEDLP C[C@@H]1C[C@@H]1[C@H]1C[C@H]1C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000886281053 627130301 /nfs/dbraw/zinc/13/03/01/627130301.db2.gz RCMIUKQFGWZCHX-KYPFXXDHSA-N 2 2 323.484 3.404 20 30 DGEDLP CC[C@@H]([NH2+]C[C@H](C)Cn1cc[nH+]c1C)c1cccc(C#N)c1O ZINC000924949165 627696215 /nfs/dbraw/zinc/69/62/15/627696215.db2.gz FYTZLTRSJVWINO-SUMWQHHRSA-N 2 2 312.417 3.146 20 30 DGEDLP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)c2ccnn2CC2CCC2)CC1 ZINC000924988256 627699300 /nfs/dbraw/zinc/69/93/00/627699300.db2.gz RNKOMHSETBGCMU-INIZCTEOSA-N 2 2 316.493 3.374 20 30 DGEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1cc(Cl)cc(Cl)c1OC ZINC000821212383 628347018 /nfs/dbraw/zinc/34/70/18/628347018.db2.gz CZKMDASDVFDNCX-UHFFFAOYSA-N 2 2 315.244 3.047 20 30 DGEDLP C#CC[N@H+](C)CCC[NH2+]Cc1cc(Cl)cc(Cl)c1OC ZINC000821212383 628347019 /nfs/dbraw/zinc/34/70/19/628347019.db2.gz CZKMDASDVFDNCX-UHFFFAOYSA-N 2 2 315.244 3.047 20 30 DGEDLP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)c1ccc(Oc2ccccc2)cn1 ZINC000834811794 629783185 /nfs/dbraw/zinc/78/31/85/629783185.db2.gz XBMMHXCXZQSKRI-KRWDZBQOSA-N 2 2 323.440 3.480 20 30 DGEDLP C#CC[N@H+](C)CCC[NH2+][C@@H](C)c1ccc(Oc2ccccc2)cn1 ZINC000834811794 629783195 /nfs/dbraw/zinc/78/31/95/629783195.db2.gz XBMMHXCXZQSKRI-KRWDZBQOSA-N 2 2 323.440 3.480 20 30 DGEDLP CCNC(NC[C@H](c1ccccc1Cl)[NH+]1CCCC1)=[NH+]CC ZINC000848998327 631802331 /nfs/dbraw/zinc/80/23/31/631802331.db2.gz VGELUNPIBQWILQ-MRXNPFEDSA-N 2 2 322.884 3.052 20 30 DGEDLP CCCCNC(=[NH2+])NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000303906018 657579081 /nfs/dbraw/zinc/57/90/81/657579081.db2.gz VTPWGHGZYBJDCX-INIZCTEOSA-N 2 2 322.884 3.181 20 30 DGEDLP C#CCOc1ccc([C@H](C)[NH2+]CCCNc2cccc[nH+]2)cc1 ZINC000163809515 658899778 /nfs/dbraw/zinc/89/97/78/658899778.db2.gz NPBBFKWZHVPGMG-INIZCTEOSA-N 2 2 309.413 3.246 20 30 DGEDLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3cc(Cl)cc(C#N)c3)CC[C@H]21 ZINC000929848017 661344431 /nfs/dbraw/zinc/34/44/31/661344431.db2.gz OFGBKTRGBJLUBL-NVXWUHKLSA-N 2 2 303.837 3.128 20 30 DGEDLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3cc(Cl)cc(C#N)c3)CC[C@H]21 ZINC000929848017 661344432 /nfs/dbraw/zinc/34/44/32/661344432.db2.gz OFGBKTRGBJLUBL-NVXWUHKLSA-N 2 2 303.837 3.128 20 30 DGEDLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cc(Cl)cc(C#N)c3)CC[C@H]21 ZINC000929848017 661344435 /nfs/dbraw/zinc/34/44/35/661344435.db2.gz OFGBKTRGBJLUBL-NVXWUHKLSA-N 2 2 303.837 3.128 20 30 DGEDLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cc(Cl)cc(C#N)c3)CC[C@H]21 ZINC000929848017 661344436 /nfs/dbraw/zinc/34/44/36/661344436.db2.gz OFGBKTRGBJLUBL-NVXWUHKLSA-N 2 2 303.837 3.128 20 30 DGEDLP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)c1sccc1Br ZINC000392928806 685216004 /nfs/dbraw/zinc/21/60/04/685216004.db2.gz JGSGWCOUSWGFNF-NSHDSACASA-N 2 2 315.280 3.116 20 30 DGEDLP C#CC[N@H+](C)CCC[NH2+][C@@H](C)c1sccc1Br ZINC000392928806 685216007 /nfs/dbraw/zinc/21/60/07/685216007.db2.gz JGSGWCOUSWGFNF-NSHDSACASA-N 2 2 315.280 3.116 20 30 DGEDLP C=CC[C@]1(C(=O)Nc2ccc(-c3[nH]c(C)c(C)[nH+]3)cc2)CCC[NH2+]1 ZINC001332077198 1178352201 /nfs/dbraw/zinc/35/22/01/1178352201.db2.gz PALPOFHVSJOIEI-LJQANCHMSA-N 2 2 324.428 3.330 20 30 DGEDLP C=CCC[NH2+]C[C@@H]1CC[C@H](NC(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001332289819 1178411857 /nfs/dbraw/zinc/41/18/57/1178411857.db2.gz BHXNPRVPLULEKR-SJORKVTESA-N 2 2 315.461 3.071 20 30 DGEDLP C=CCC[NH2+]C[C@H]1CC[C@H](NC(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001332289818 1178412463 /nfs/dbraw/zinc/41/24/63/1178412463.db2.gz BHXNPRVPLULEKR-IRXDYDNUSA-N 2 2 315.461 3.071 20 30 DGEDLP C[C@@H](C[NH+](C)C)[C@H]1CCCC[N@@H+]1Cc1ccc(C#N)c(F)c1 ZINC001462461631 1182956701 /nfs/dbraw/zinc/95/67/01/1182956701.db2.gz PPRLMCXVEHLFKV-KBXCAEBGSA-N 2 2 303.425 3.250 20 30 DGEDLP C[C@@H](C[NH+](C)C)[C@H]1CCCC[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC001462461631 1182956705 /nfs/dbraw/zinc/95/67/05/1182956705.db2.gz PPRLMCXVEHLFKV-KBXCAEBGSA-N 2 2 303.425 3.250 20 30 DGEDLP C=CCC[C@H]1CCC[N@@H+]1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC001473857567 1183812553 /nfs/dbraw/zinc/81/25/53/1183812553.db2.gz WSOZQWZXLJPWTR-FQEVSTJZSA-N 2 2 314.473 3.449 20 30 DGEDLP C=CCC[C@H]1CCC[N@H+]1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC001473857567 1183812556 /nfs/dbraw/zinc/81/25/56/1183812556.db2.gz WSOZQWZXLJPWTR-FQEVSTJZSA-N 2 2 314.473 3.449 20 30 DGEDLP C=CCC[NH2+][C@@H]1CC[C@H](CNC(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001479465109 1184255362 /nfs/dbraw/zinc/25/53/62/1184255362.db2.gz QSTNWFFBJNYXMJ-DLBZAZTESA-N 2 2 315.461 3.071 20 30 DGEDLP C=CCCC[NH2+][C@@H](CC)CNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001495027267 1184981979 /nfs/dbraw/zinc/98/19/79/1184981979.db2.gz URZONANMCQSZJT-INIZCTEOSA-N 2 2 303.450 3.071 20 30 DGEDLP C=CCC[NH2+]C1(C)CCN(C(=O)c2c(C)cc(C)[nH+]c2C)CC1 ZINC001502789930 1186011824 /nfs/dbraw/zinc/01/18/24/1186011824.db2.gz KPKWMJJSMHODRM-UHFFFAOYSA-N 2 2 315.461 3.167 20 30 DGEDLP C=C(C)C[NH2+]CCC[C@H](C)NC(=O)c1c(C)cc(C)[nH+]c1C ZINC001506931248 1186316117 /nfs/dbraw/zinc/31/61/17/1186316117.db2.gz OLFJMVCFXIUZJQ-AWEZNQCLSA-N 2 2 303.450 3.071 20 30 DGEDLP C=CC[NH+]1CCC([NH2+]Cc2cccc(-c3cccnc3)c2)CC1 ZINC001560313469 1189309882 /nfs/dbraw/zinc/30/98/82/1189309882.db2.gz AWSLZLCPBZDJOD-UHFFFAOYSA-N 2 2 307.441 3.489 20 30 DGEDLP C=CCC[NH2+]C[C@H]1CCC[C@H]1NC(=O)c1c(C)cc(C)[nH+]c1C ZINC001568532733 1190560536 /nfs/dbraw/zinc/56/05/36/1190560536.db2.gz IMVRPUWZPOSWRS-IAGOWNOFSA-N 2 2 315.461 3.071 20 30 DGEDLP C=CC[NH2+]C[C@H]1CC[C@H](NC(=O)c2c(C)cc(C)[nH+]c2C)CC1 ZINC001570041494 1190787061 /nfs/dbraw/zinc/78/70/61/1190787061.db2.gz NLICMPHHCHBFEE-QAQDUYKDSA-N 2 2 315.461 3.071 20 30 DGEDLP C[N@H+](CCc1cccc(C#N)c1)Cc1cc(-n2cc[nH+]c2)cs1 ZINC001665494007 1197143865 /nfs/dbraw/zinc/14/38/65/1197143865.db2.gz NAERALWPNIIZQT-UHFFFAOYSA-N 2 2 322.437 3.480 20 30 DGEDLP C[N@@H+](CCc1cccc(C#N)c1)Cc1cc(-n2cc[nH+]c2)cs1 ZINC001665494007 1197143867 /nfs/dbraw/zinc/14/38/67/1197143867.db2.gz NAERALWPNIIZQT-UHFFFAOYSA-N 2 2 322.437 3.480 20 30 DGEDLP C=C(C)CC[NH2+]C[C@H](C)N(C)C(=O)c1c(C)cc(C)[nH+]c1C ZINC001698836636 1201491277 /nfs/dbraw/zinc/49/12/77/1201491277.db2.gz CXMFGKCIIJQXKQ-HNNXBMFYSA-N 2 2 303.450 3.023 20 30 DGEDLP C=CCC[C@@H](C)[NH2+]C[C@@H](C)N(C)C(=O)c1c(C)cc(C)[nH+]c1C ZINC001753704145 1202317022 /nfs/dbraw/zinc/31/70/22/1202317022.db2.gz WAUOBDVCCDWYJT-GDBMZVCRSA-N 2 2 317.477 3.412 20 30 DGEDLP C=CCC[NH2+]C[C@@H](NC(=O)c1c(C)cc(C)[nH+]c1C)C(C)(C)C ZINC001700992225 1202377858 /nfs/dbraw/zinc/37/78/58/1202377858.db2.gz ZIZTZLBITIVGEN-MRXNPFEDSA-N 2 2 317.477 3.317 20 30 DGEDLP C=CCC[C@H](C)[NH2+][C@H](C)CCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001713411059 1202646996 /nfs/dbraw/zinc/64/69/96/1202646996.db2.gz UHGLHDMVADEUPF-UONOGXRCSA-N 2 2 314.433 3.016 20 30 DGEDLP CC[NH+](CC)[C@H](CNC(=[NH2+])Nc1ccccc1C)c1ccco1 ZINC000170910039 1203839438 /nfs/dbraw/zinc/83/94/38/1203839438.db2.gz ZSDRNPPSCNTAPP-MRXNPFEDSA-N 2 2 314.433 3.398 20 30 DGEDLP Cc1ccc(CC#N)c(N2CCCC[C@H]2CC[NH+]2CCCC2)[nH+]1 ZINC001165049535 721976122 /nfs/dbraw/zinc/97/61/22/721976122.db2.gz PZEIFBWYUGVMBA-SFHVURJKSA-N 2 2 312.461 3.301 20 30 DGEDLP Cc1ccc(CC#N)c(N(C2CCCC2)C2CC[NH+](C)CC2)[nH+]1 ZINC001158487867 1087861115 /nfs/dbraw/zinc/86/11/15/1087861115.db2.gz PVLYKKVEAGELKU-UHFFFAOYSA-N 2 2 312.461 3.299 20 30 DGEDLP C[C@@]1([NH3+])CCC[N@H+](Cc2ccc(Br)c(C#N)c2)CC1 ZINC001205280832 1091162337 /nfs/dbraw/zinc/16/23/37/1091162337.db2.gz JUTFGDHIFRICBF-OAHLLOKOSA-N 2 2 322.250 3.024 20 30 DGEDLP C[C@@]1([NH3+])CCC[N@@H+](Cc2ccc(Br)c(C#N)c2)CC1 ZINC001205280832 1091162343 /nfs/dbraw/zinc/16/23/43/1091162343.db2.gz JUTFGDHIFRICBF-OAHLLOKOSA-N 2 2 322.250 3.024 20 30 DGEDLP Cc1c[nH+]ccc1O[C@H]1CC[N@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001205502354 1091236879 /nfs/dbraw/zinc/23/68/79/1091236879.db2.gz RZIORJSWBKXCDG-INIZCTEOSA-N 2 2 311.360 3.054 20 30 DGEDLP Cc1c[nH+]ccc1O[C@H]1CC[N@@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001205502354 1091236890 /nfs/dbraw/zinc/23/68/90/1091236890.db2.gz RZIORJSWBKXCDG-INIZCTEOSA-N 2 2 311.360 3.054 20 30 DGEDLP C=CCc1cccc(C[NH+]2CC3(C2)CC[N@H+](CC2CC2)C3)c1O ZINC001138626782 1091260364 /nfs/dbraw/zinc/26/03/64/1091260364.db2.gz OLBWYYGZIBRANN-UHFFFAOYSA-N 2 2 312.457 3.038 20 30 DGEDLP C=CCc1cccc(C[NH+]2CC3(C2)CC[N@@H+](CC2CC2)C3)c1O ZINC001138626782 1091260368 /nfs/dbraw/zinc/26/03/68/1091260368.db2.gz OLBWYYGZIBRANN-UHFFFAOYSA-N 2 2 312.457 3.038 20 30 DGEDLP N#Cc1cccc2c(C[NH+]3CCC(n4cc[nH+]c4)CC3)c[nH]c21 ZINC001139706363 1091647712 /nfs/dbraw/zinc/64/77/12/1091647712.db2.gz SREKGMYHZYUZFT-UHFFFAOYSA-N 2 2 305.385 3.073 20 30 DGEDLP C=CCOc1ccc(C[NH+]2CCC3(CCCC[NH2+]3)CC2)cc1 ZINC001222292543 1095534176 /nfs/dbraw/zinc/53/41/76/1095534176.db2.gz FFRMENSFHXRBER-UHFFFAOYSA-N 2 2 300.446 3.360 20 30 DGEDLP Cc1ccc(C[N@@H+]2C[C@@H](c3ccccc3)C3(C[NH2+]C3)C2)c(C#N)c1 ZINC001222608700 1095690208 /nfs/dbraw/zinc/69/02/08/1095690208.db2.gz CMBMVNYFERVHCX-FQEVSTJZSA-N 2 2 317.436 3.056 20 30 DGEDLP Cc1ccc(C[N@H+]2C[C@@H](c3ccccc3)C3(C[NH2+]C3)C2)c(C#N)c1 ZINC001222608700 1095690213 /nfs/dbraw/zinc/69/02/13/1095690213.db2.gz CMBMVNYFERVHCX-FQEVSTJZSA-N 2 2 317.436 3.056 20 30 DGEDLP N#Cc1cc[nH]c1C[NH2+][C@@]12CC[C@@]([NH2+]C3CCCC3)(C1)CCC2 ZINC001276840104 1095762875 /nfs/dbraw/zinc/76/28/75/1095762875.db2.gz IVWOZSLOAXBONM-RBUKOAKNSA-N 2 2 312.461 3.354 20 30 DGEDLP CCCCCCC[C@@H](CC)n1c[nH+]cc1CCNC(=O)CC[NH3+] ZINC001172350507 1097121692 /nfs/dbraw/zinc/12/16/92/1097121692.db2.gz NTJONWGTGMJEOD-MRXNPFEDSA-N 2 2 322.497 3.202 20 30 DGEDLP COc1ccccc1C[NH+]1CCC([NH2+][C@@H](C)CCCC#N)CC1 ZINC001172478690 1097149602 /nfs/dbraw/zinc/14/96/02/1097149602.db2.gz HDVDXFBBMLKAHP-INIZCTEOSA-N 2 2 315.461 3.332 20 30 DGEDLP C[C@H](CCCC#N)[NH2+][C@@H](C[NH3+])c1ccc(Br)cc1 ZINC001172490068 1097167096 /nfs/dbraw/zinc/16/70/96/1097167096.db2.gz VEDWGYYNMZALDD-RISCZKNCSA-N 2 2 310.239 3.121 20 30 DGEDLP C[N@@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1Cc1ccc(C#N)cc1O ZINC001233386631 1098311646 /nfs/dbraw/zinc/31/16/46/1098311646.db2.gz BMXRQZCRDGKVOL-ZWKOTPCHSA-N 2 2 313.445 3.103 20 30 DGEDLP C[N@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1Cc1ccc(C#N)cc1O ZINC001233386631 1098311652 /nfs/dbraw/zinc/31/16/52/1098311652.db2.gz BMXRQZCRDGKVOL-ZWKOTPCHSA-N 2 2 313.445 3.103 20 30 DGEDLP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@@H+]1Cc1ccc(C#N)cc1O ZINC001233386631 1098311658 /nfs/dbraw/zinc/31/16/58/1098311658.db2.gz BMXRQZCRDGKVOL-ZWKOTPCHSA-N 2 2 313.445 3.103 20 30 DGEDLP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@H+]1Cc1ccc(C#N)cc1O ZINC001233386631 1098311665 /nfs/dbraw/zinc/31/16/65/1098311665.db2.gz BMXRQZCRDGKVOL-ZWKOTPCHSA-N 2 2 313.445 3.103 20 30 DGEDLP C=CCC[NH2+]CCCCCCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001178828718 1098945230 /nfs/dbraw/zinc/94/52/30/1098945230.db2.gz YJRRDEVJWZIRBL-UHFFFAOYSA-N 2 2 314.433 3.019 20 30 DGEDLP [NH3+][C@@]12CC[C@@H]1C[N@H+](Cc1ccccc1C#Cc1ccccc1)C2 ZINC001235989728 1099312339 /nfs/dbraw/zinc/31/23/39/1099312339.db2.gz JRZIBPPMYDENIR-NHCUHLMSSA-N 2 2 302.421 3.010 20 30 DGEDLP [NH3+][C@@]12CC[C@@H]1C[N@@H+](Cc1ccccc1C#Cc1ccccc1)C2 ZINC001235989728 1099312349 /nfs/dbraw/zinc/31/23/49/1099312349.db2.gz JRZIBPPMYDENIR-NHCUHLMSSA-N 2 2 302.421 3.010 20 30 DGEDLP C[C@@H]1C[N@H+](Cc2ccc(N(C)c3ccc(C#N)cc3)cc2)C[C@@H]1[NH3+] ZINC001236094399 1099384278 /nfs/dbraw/zinc/38/42/78/1099384278.db2.gz SYDPHWLAZXNTNN-QRWLVFNGSA-N 2 2 320.440 3.105 20 30 DGEDLP C[C@@H]1C[N@@H+](Cc2ccc(N(C)c3ccc(C#N)cc3)cc2)C[C@@H]1[NH3+] ZINC001236094399 1099384289 /nfs/dbraw/zinc/38/42/89/1099384289.db2.gz SYDPHWLAZXNTNN-QRWLVFNGSA-N 2 2 320.440 3.105 20 30 DGEDLP C[N@H+](Cc1ccc(C#N)c(Br)c1)[C@H]1CCCC[C@@H]1[NH3+] ZINC001236219889 1099477848 /nfs/dbraw/zinc/47/78/48/1099477848.db2.gz YCBHISQRHCMPKY-GJZGRUSLSA-N 2 2 322.250 3.022 20 30 DGEDLP C[N@@H+](Cc1ccc(C#N)c(Br)c1)[C@H]1CCCC[C@@H]1[NH3+] ZINC001236219889 1099477852 /nfs/dbraw/zinc/47/78/52/1099477852.db2.gz YCBHISQRHCMPKY-GJZGRUSLSA-N 2 2 322.250 3.022 20 30 DGEDLP N#Cc1ccc2[nH]cc(C[N@H+](C3CCC3)[C@H]3CCC[NH2+]C3)c2c1 ZINC001237152974 1100001411 /nfs/dbraw/zinc/00/14/11/1100001411.db2.gz ACEQUZNZNMPULC-KRWDZBQOSA-N 2 2 308.429 3.146 20 30 DGEDLP N#Cc1ccc2[nH]cc(C[N@@H+](C3CCC3)[C@H]3CCC[NH2+]C3)c2c1 ZINC001237152974 1100001419 /nfs/dbraw/zinc/00/14/19/1100001419.db2.gz ACEQUZNZNMPULC-KRWDZBQOSA-N 2 2 308.429 3.146 20 30 DGEDLP N#Cc1cc(-c2cccc(C[N@H+]3CC[C@H]([NH3+])C3)c2)ccc1Cl ZINC001240403301 1100979535 /nfs/dbraw/zinc/97/95/35/1100979535.db2.gz JGIYURBNTAZTSB-KRWDZBQOSA-N 2 2 311.816 3.412 20 30 DGEDLP N#Cc1cc(-c2cccc(C[N@@H+]3CC[C@H]([NH3+])C3)c2)ccc1Cl ZINC001240403301 1100979540 /nfs/dbraw/zinc/97/95/40/1100979540.db2.gz JGIYURBNTAZTSB-KRWDZBQOSA-N 2 2 311.816 3.412 20 30 DGEDLP CC(C)(C)n1c[nH+]cc1[C@@H]1CCC[N@H+](Cc2cncc(C#N)c2)C1 ZINC001198790476 1101977512 /nfs/dbraw/zinc/97/75/12/1101977512.db2.gz INFBYRJAGKVIAZ-QGZVFWFLSA-N 2 2 323.444 3.284 20 30 DGEDLP CC(C)(C)n1c[nH+]cc1[C@@H]1CCC[N@@H+](Cc2cncc(C#N)c2)C1 ZINC001198790476 1101977518 /nfs/dbraw/zinc/97/75/18/1101977518.db2.gz INFBYRJAGKVIAZ-QGZVFWFLSA-N 2 2 323.444 3.284 20 30 DGEDLP Cn1c[nH+]cc1C1CC[NH+](CCCCC2(C#N)CCC2)CC1 ZINC001198768502 1101981196 /nfs/dbraw/zinc/98/11/96/1101981196.db2.gz IAYMSWLCJLMBPM-UHFFFAOYSA-N 2 2 300.450 3.464 20 30 DGEDLP N#CC1(c2cccc(-c3ccn4c[nH+]c(C5C[NH2+]C5)c4c3)c2)CC1 ZINC001244072151 1103187806 /nfs/dbraw/zinc/18/78/06/1103187806.db2.gz REQFAGSJEJJCRE-UHFFFAOYSA-N 2 2 314.392 3.243 20 30 DGEDLP CCc1cc(-c2ccc(C[N@@H+]3CC[C@@H]([NH3+])C3)cc2)ccc1C#N ZINC001244954787 1103779107 /nfs/dbraw/zinc/77/91/07/1103779107.db2.gz DLSUAJWYJOLKQX-HXUWFJFHSA-N 2 2 305.425 3.321 20 30 DGEDLP CCc1cc(-c2ccc(C[N@H+]3CC[C@@H]([NH3+])C3)cc2)ccc1C#N ZINC001244954787 1103779115 /nfs/dbraw/zinc/77/91/15/1103779115.db2.gz DLSUAJWYJOLKQX-HXUWFJFHSA-N 2 2 305.425 3.321 20 30 DGEDLP C=C[C@H](COC)[NH2+][C@@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC001330620662 1104595440 /nfs/dbraw/zinc/59/54/40/1104595440.db2.gz GOFHCPWGHOHRCD-LMMKCTJWSA-N 2 2 300.446 3.145 20 30 DGEDLP C=C[C@H](COC)[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC001330620662 1104595446 /nfs/dbraw/zinc/59/54/46/1104595446.db2.gz GOFHCPWGHOHRCD-LMMKCTJWSA-N 2 2 300.446 3.145 20 30 DGEDLP C=CCCCCC[N@@H+]1CCC[C@@]2(CC[NH+](Cc3cn[nH]c3)C2)C1 ZINC001276037013 1104993294 /nfs/dbraw/zinc/99/32/94/1104993294.db2.gz XYRVFHBVLXYJKO-LJQANCHMSA-N 2 2 316.493 3.444 20 30 DGEDLP C=CCCCCC[N@H+]1CCC[C@@]2(CC[NH+](Cc3cn[nH]c3)C2)C1 ZINC001276037013 1104993303 /nfs/dbraw/zinc/99/33/03/1104993303.db2.gz XYRVFHBVLXYJKO-LJQANCHMSA-N 2 2 316.493 3.444 20 30 DGEDLP C=CCCCCC[NH+]1CCC[C@@]2(CC[N@H+](Cc3cn[nH]c3)C2)C1 ZINC001276037013 1104993308 /nfs/dbraw/zinc/99/33/08/1104993308.db2.gz XYRVFHBVLXYJKO-LJQANCHMSA-N 2 2 316.493 3.444 20 30 DGEDLP C=CCCCCC[NH+]1CCC[C@@]2(CC[N@@H+](Cc3cn[nH]c3)C2)C1 ZINC001276037013 1104993315 /nfs/dbraw/zinc/99/33/15/1104993315.db2.gz XYRVFHBVLXYJKO-LJQANCHMSA-N 2 2 316.493 3.444 20 30 DGEDLP C=CCC[C@@H](O)C[N@H+](Cc1ccc(F)cc1)C1CC[NH+](C)CC1 ZINC001252604774 1105802246 /nfs/dbraw/zinc/80/22/46/1105802246.db2.gz ZAEOUDFBPHTCME-LJQANCHMSA-N 2 2 320.452 3.049 20 30 DGEDLP C=CCC[C@@H](O)C[N@@H+](Cc1ccc(F)cc1)C1CC[NH+](C)CC1 ZINC001252604774 1105802253 /nfs/dbraw/zinc/80/22/53/1105802253.db2.gz ZAEOUDFBPHTCME-LJQANCHMSA-N 2 2 320.452 3.049 20 30 DGEDLP N#Cc1ccc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)o1 ZINC001255132081 1106186476 /nfs/dbraw/zinc/18/64/76/1106186476.db2.gz RHXRWAVEANGAEF-BCDXTJNWSA-N 2 2 321.424 3.436 20 30 DGEDLP N#Cc1ccc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)o1 ZINC001255132081 1106186478 /nfs/dbraw/zinc/18/64/78/1106186478.db2.gz RHXRWAVEANGAEF-BCDXTJNWSA-N 2 2 321.424 3.436 20 30 DGEDLP N#Cc1coc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c1 ZINC001255136253 1106188235 /nfs/dbraw/zinc/18/82/35/1106188235.db2.gz OKUWUAUHVSOCLS-LDLYASANSA-N 2 2 321.424 3.436 20 30 DGEDLP N#Cc1coc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC001255136253 1106188239 /nfs/dbraw/zinc/18/82/39/1106188239.db2.gz OKUWUAUHVSOCLS-LDLYASANSA-N 2 2 321.424 3.436 20 30 DGEDLP C[C@]1(C#N)CC[N@@H+]([C@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001255151323 1106190669 /nfs/dbraw/zinc/19/06/69/1106190669.db2.gz WUAWHHICMUPHCW-FUMNGEBKSA-N 2 2 309.457 3.418 20 30 DGEDLP C[C@]1(C#N)CC[N@H+]([C@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001255151323 1106190673 /nfs/dbraw/zinc/19/06/73/1106190673.db2.gz WUAWHHICMUPHCW-FUMNGEBKSA-N 2 2 309.457 3.418 20 30 DGEDLP C[C@]1(C#N)CC[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001255151323 1106190675 /nfs/dbraw/zinc/19/06/75/1106190675.db2.gz WUAWHHICMUPHCW-FUMNGEBKSA-N 2 2 309.457 3.418 20 30 DGEDLP C[C@]1(C#N)CC[NH+]([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001255151323 1106190679 /nfs/dbraw/zinc/19/06/79/1106190679.db2.gz WUAWHHICMUPHCW-FUMNGEBKSA-N 2 2 309.457 3.418 20 30 DGEDLP C=CCC[C@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1OC ZINC001258726443 1106930644 /nfs/dbraw/zinc/93/06/44/1106930644.db2.gz UMVIXSZGUVYPBL-UHOSZYNNSA-N 2 2 302.462 3.220 20 30 DGEDLP C=CCC[C@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1OC ZINC001258726443 1106930649 /nfs/dbraw/zinc/93/06/49/1106930649.db2.gz UMVIXSZGUVYPBL-UHOSZYNNSA-N 2 2 302.462 3.220 20 30 DGEDLP C=CCC[C@H](C)[N@@H+]1CC[C@H]2[C@@H](CC[NH+]2Cc2nccs2)C1 ZINC001258727543 1106931535 /nfs/dbraw/zinc/93/15/35/1106931535.db2.gz GHWYXPYFGLUDNA-JYJNAYRXSA-N 2 2 305.491 3.394 20 30 DGEDLP C=CCC[C@H](C)[N@H+]1CC[C@H]2[C@@H](CC[NH+]2Cc2nccs2)C1 ZINC001258727543 1106931546 /nfs/dbraw/zinc/93/15/46/1106931546.db2.gz GHWYXPYFGLUDNA-JYJNAYRXSA-N 2 2 305.491 3.394 20 30 DGEDLP C=CCC[C@H](C)[NH+]1CC[C@H]2[C@@H](CC[N@@H+]2Cc2nccs2)C1 ZINC001258727543 1106931552 /nfs/dbraw/zinc/93/15/52/1106931552.db2.gz GHWYXPYFGLUDNA-JYJNAYRXSA-N 2 2 305.491 3.394 20 30 DGEDLP C=CCC[C@H](C)[NH+]1CC[C@H]2[C@@H](CC[N@H+]2Cc2nccs2)C1 ZINC001258727543 1106931563 /nfs/dbraw/zinc/93/15/63/1106931563.db2.gz GHWYXPYFGLUDNA-JYJNAYRXSA-N 2 2 305.491 3.394 20 30 DGEDLP C[N@H+](Cc1cc(C#N)cs1)Cc1cc(-n2cc[nH+]c2)cs1 ZINC001474726439 1108168487 /nfs/dbraw/zinc/16/84/87/1108168487.db2.gz NYKNOJZCDZTRDZ-UHFFFAOYSA-N 2 2 314.439 3.499 20 30 DGEDLP C[N@@H+](Cc1cc(C#N)cs1)Cc1cc(-n2cc[nH+]c2)cs1 ZINC001474726439 1108168489 /nfs/dbraw/zinc/16/84/89/1108168489.db2.gz NYKNOJZCDZTRDZ-UHFFFAOYSA-N 2 2 314.439 3.499 20 30 DGEDLP C=C(C)CC[NH2+]CCC[C@@H](C)NC(=O)c1c(C)cc(C)[nH+]c1C ZINC001283203306 1109603292 /nfs/dbraw/zinc/60/32/92/1109603292.db2.gz COFJMLCASHTOIV-OAHLLOKOSA-N 2 2 317.477 3.461 20 30 DGEDLP C=CC[C@@H](C)[N@@H+]1CCC[NH+](Cc2ccccc2)CCOCC1 ZINC001308107845 1111378290 /nfs/dbraw/zinc/37/82/90/1111378290.db2.gz ZDYXEXGXRQCAJY-GOSISDBHSA-N 2 2 302.462 3.176 20 30 DGEDLP C=CC[C@@H](C)[N@H+]1CCC[NH+](Cc2ccccc2)CCOCC1 ZINC001308107845 1111378292 /nfs/dbraw/zinc/37/82/92/1111378292.db2.gz ZDYXEXGXRQCAJY-GOSISDBHSA-N 2 2 302.462 3.176 20 30 DGEDLP C=CC[C@@H](C)[NH+]1CCC[N@H+](Cc2ccccc2)CCOCC1 ZINC001308107845 1111378295 /nfs/dbraw/zinc/37/82/95/1111378295.db2.gz ZDYXEXGXRQCAJY-GOSISDBHSA-N 2 2 302.462 3.176 20 30 DGEDLP C=CC[C@@H](C)[NH+]1CCC[N@@H+](Cc2ccccc2)CCOCC1 ZINC001308107845 1111378296 /nfs/dbraw/zinc/37/82/96/1111378296.db2.gz ZDYXEXGXRQCAJY-GOSISDBHSA-N 2 2 302.462 3.176 20 30 DGEDLP CN(CCC#N)c1ccc(C[NH2+]CCCNc2cccc[nH+]2)cc1 ZINC000177589018 529870036 /nfs/dbraw/zinc/87/00/36/529870036.db2.gz VFOHYFXIZGTWPO-UHFFFAOYSA-N 2 2 323.444 3.023 20 30 DGEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2cnc(C)n2-c2ccccc2)CC1 ZINC000084022608 192396630 /nfs/dbraw/zinc/39/66/30/192396630.db2.gz YKQHEDCIMABROR-UHFFFAOYSA-N 2 2 324.472 3.311 20 30 DGEDLP C=C(C)COc1cc(C[N@@H+]2CC[C@@H](C[NH+](C)C)C2)ccc1OC ZINC000179639080 199068436 /nfs/dbraw/zinc/06/84/36/199068436.db2.gz QRUZXAOWAXVSON-KRWDZBQOSA-N 2 2 318.461 3.034 20 30 DGEDLP C=C(C)COc1cc(C[N@H+]2CC[C@@H](C[NH+](C)C)C2)ccc1OC ZINC000179639080 199068437 /nfs/dbraw/zinc/06/84/37/199068437.db2.gz QRUZXAOWAXVSON-KRWDZBQOSA-N 2 2 318.461 3.034 20 30 DGEDLP C=CC[NH+]1CCC([NH2+]Cc2ccc(CSC(F)F)o2)CC1 ZINC000237926653 202392492 /nfs/dbraw/zinc/39/24/92/202392492.db2.gz LHJHJZJZNIXIPI-UHFFFAOYSA-N 2 2 316.417 3.475 20 30 DGEDLP N#Cc1ccc(F)cc1C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134868934 432088515 /nfs/dbraw/zinc/08/85/15/432088515.db2.gz OMOPXDNLSQNXLH-BEFAXECRSA-N 2 2 313.420 3.146 20 30 DGEDLP N#Cc1ccc(F)cc1C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134868934 432088518 /nfs/dbraw/zinc/08/85/18/432088518.db2.gz OMOPXDNLSQNXLH-BEFAXECRSA-N 2 2 313.420 3.146 20 30 DGEDLP N#Cc1ccc(F)cc1C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134868934 432088519 /nfs/dbraw/zinc/08/85/19/432088519.db2.gz OMOPXDNLSQNXLH-BEFAXECRSA-N 2 2 313.420 3.146 20 30 DGEDLP N#Cc1ccc(F)cc1C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134868934 432088522 /nfs/dbraw/zinc/08/85/22/432088522.db2.gz OMOPXDNLSQNXLH-BEFAXECRSA-N 2 2 313.420 3.146 20 30 DGEDLP C[NH+](C)[C@H]1CCC[N@H+](Cc2ccc(C#N)cc2OC(F)F)CC1 ZINC000429543877 238054089 /nfs/dbraw/zinc/05/40/89/238054089.db2.gz WCPZAWBJBFRHKT-HNNXBMFYSA-N 2 2 323.387 3.076 20 30 DGEDLP C[NH+](C)[C@H]1CCC[N@@H+](Cc2ccc(C#N)cc2OC(F)F)CC1 ZINC000429543877 238054090 /nfs/dbraw/zinc/05/40/90/238054090.db2.gz WCPZAWBJBFRHKT-HNNXBMFYSA-N 2 2 323.387 3.076 20 30 DGEDLP C#CCCOc1ccc(C[N@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)cc1 ZINC000246134228 432097991 /nfs/dbraw/zinc/09/79/91/432097991.db2.gz KXQDDERELDYXHD-YLJYHZDGSA-N 2 2 323.440 3.368 20 30 DGEDLP C#CCCOc1ccc(C[N@@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)cc1 ZINC000246134228 432097994 /nfs/dbraw/zinc/09/79/94/432097994.db2.gz KXQDDERELDYXHD-YLJYHZDGSA-N 2 2 323.440 3.368 20 30 DGEDLP N#C[C@@H]1CC[C@@H]([NH2+]C2CC[NH+](Cc3ccc(F)cc3)CC2)C1 ZINC000442713388 239116195 /nfs/dbraw/zinc/11/61/95/239116195.db2.gz WNDJJCZFWRUSGL-CRAIPNDOSA-N 2 2 301.409 3.072 20 30 DGEDLP C=CCC1(C[NH2+]C2CC[NH+](CCCC(=O)OC)CC2)CCCC1 ZINC000449605219 240317484 /nfs/dbraw/zinc/31/74/84/240317484.db2.gz MSSQQKNJBDNBFV-UHFFFAOYSA-N 2 2 322.493 3.130 20 30 DGEDLP Cc1cc(C[N@@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)ccc1C#N ZINC000488149100 245153691 /nfs/dbraw/zinc/15/36/91/245153691.db2.gz KTJPMCKURAFVSB-INIZCTEOSA-N 2 2 308.429 3.055 20 30 DGEDLP C(#Cc1ccccc1)C[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000020477323 182221709 /nfs/dbraw/zinc/22/17/09/182221709.db2.gz UNCPSHWMFCSRNS-UHFFFAOYSA-N 2 2 304.437 3.292 20 30 DGEDLP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)c2cc(C(=O)OC)cs2)CC1 ZINC000286286327 335031449 /nfs/dbraw/zinc/03/14/49/335031449.db2.gz WABVLEVHXILMDO-ZDUSSCGKSA-N 2 2 322.474 3.226 20 30 DGEDLP C#CC[NH+]1CCC([N@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000159356274 197347209 /nfs/dbraw/zinc/34/72/09/197347209.db2.gz WGYWIXPWBSMTSB-UHFFFAOYSA-N 2 2 310.363 3.235 20 30 DGEDLP C#CC[NH+]1CCC([N@@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000159356274 197347211 /nfs/dbraw/zinc/34/72/11/197347211.db2.gz WGYWIXPWBSMTSB-UHFFFAOYSA-N 2 2 310.363 3.235 20 30 DGEDLP N#Cc1ccc(CC[NH2+][C@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000595056722 400093472 /nfs/dbraw/zinc/09/34/72/400093472.db2.gz VDAFFKIVFHJAJH-NRFANRHFSA-N 2 2 319.452 3.355 20 30 DGEDLP N#Cc1ccc(CC[NH2+][C@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000595056722 400093476 /nfs/dbraw/zinc/09/34/76/400093476.db2.gz VDAFFKIVFHJAJH-NRFANRHFSA-N 2 2 319.452 3.355 20 30 DGEDLP C=CCCSCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000595060589 400095245 /nfs/dbraw/zinc/09/52/45/400095245.db2.gz WAQSFXIJAVHSAN-FUHWJXTLSA-N 2 2 319.518 3.191 20 30 DGEDLP C=CCCSCC[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000595060589 400095248 /nfs/dbraw/zinc/09/52/48/400095248.db2.gz WAQSFXIJAVHSAN-FUHWJXTLSA-N 2 2 319.518 3.191 20 30 DGEDLP C[C@@]1([NH2+]Cc2ccc(C#N)c(F)c2)CC[N@H+](Cc2ccccc2)C1 ZINC000406008497 400300459 /nfs/dbraw/zinc/30/04/59/400300459.db2.gz UDVYQONWRTZIIH-HXUWFJFHSA-N 2 2 323.415 3.452 20 30 DGEDLP C[C@@]1([NH2+]Cc2ccc(C#N)c(F)c2)CC[N@@H+](Cc2ccccc2)C1 ZINC000406008497 400300463 /nfs/dbraw/zinc/30/04/63/400300463.db2.gz UDVYQONWRTZIIH-HXUWFJFHSA-N 2 2 323.415 3.452 20 30 DGEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2c(C)nc3sc(C)cn23)CC1 ZINC000106245443 400326497 /nfs/dbraw/zinc/32/64/97/400326497.db2.gz OHXBXHMUCWDRIJ-UHFFFAOYSA-N 2 2 318.490 3.143 20 30 DGEDLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+]C[C@@H](C)CCC#N)CC1 ZINC000589820783 400329882 /nfs/dbraw/zinc/32/98/82/400329882.db2.gz AYTPIACKCUULSW-JKSUJKDBSA-N 2 2 300.450 3.136 20 30 DGEDLP C[C@@]1(C#N)CCC[N@H+](CCCC[NH+]2CCC[C@](C)(C#N)C2)C1 ZINC000612161333 400501293 /nfs/dbraw/zinc/50/12/93/400501293.db2.gz SGSMULSWAKCAPQ-HDICACEKSA-N 2 2 302.466 3.018 20 30 DGEDLP C[C@@]1(C#N)CCC[N@@H+](CCCC[NH+]2CCC[C@](C)(C#N)C2)C1 ZINC000612161333 400501298 /nfs/dbraw/zinc/50/12/98/400501298.db2.gz SGSMULSWAKCAPQ-HDICACEKSA-N 2 2 302.466 3.018 20 30 DGEDLP C[C@@]1(C#N)CCC[NH+](CCCC[N@@H+]2CCC[C@](C)(C#N)C2)C1 ZINC000612161333 400501302 /nfs/dbraw/zinc/50/13/02/400501302.db2.gz SGSMULSWAKCAPQ-HDICACEKSA-N 2 2 302.466 3.018 20 30 DGEDLP C[C@@]1(C#N)CCC[NH+](CCCC[N@H+]2CCC[C@](C)(C#N)C2)C1 ZINC000612161333 400501307 /nfs/dbraw/zinc/50/13/07/400501307.db2.gz SGSMULSWAKCAPQ-HDICACEKSA-N 2 2 302.466 3.018 20 30 DGEDLP N#Cc1cccc(C[N@@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)n1 ZINC000602457354 400468235 /nfs/dbraw/zinc/46/82/35/400468235.db2.gz AHZWEMGVXSGMSB-QGZVFWFLSA-N 2 2 312.461 3.041 20 30 DGEDLP N#Cc1cccc(C[N@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)n1 ZINC000602457354 400468237 /nfs/dbraw/zinc/46/82/37/400468237.db2.gz AHZWEMGVXSGMSB-QGZVFWFLSA-N 2 2 312.461 3.041 20 30 DGEDLP C[C@@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)c1cccc(C#N)c1 ZINC000596650266 400472125 /nfs/dbraw/zinc/47/21/25/400472125.db2.gz NOETXHQWVAMNHM-JSNMRZPZSA-N 2 2 323.415 3.494 20 30 DGEDLP COc1ccc([C@@H](C[NH2+]C[C@H](C)CCC#N)[NH+]2CCCC2)cc1 ZINC000602505864 400482792 /nfs/dbraw/zinc/48/27/92/400482792.db2.gz AYKNSXFLGRDPES-VQIMIIECSA-N 2 2 315.461 3.362 20 30 DGEDLP N#CC1(c2ccc(C[NH+]3CCC(c4[nH]cc[nH+]4)CC3)cc2)CC1 ZINC000596995758 400536197 /nfs/dbraw/zinc/53/61/97/400536197.db2.gz NRTLLDWROLBKBN-UHFFFAOYSA-N 2 2 306.413 3.344 20 30 DGEDLP CC#CC[N@@H+](CCCn1cc[nH+]c1)Cc1ccc(OCC)cc1 ZINC000181233733 400888131 /nfs/dbraw/zinc/88/81/31/400888131.db2.gz GBCBJORTSQKWMV-UHFFFAOYSA-N 2 2 311.429 3.197 20 30 DGEDLP CC#CC[N@H+](CCCn1cc[nH+]c1)Cc1ccc(OCC)cc1 ZINC000181233733 400888132 /nfs/dbraw/zinc/88/81/32/400888132.db2.gz GBCBJORTSQKWMV-UHFFFAOYSA-N 2 2 311.429 3.197 20 30 DGEDLP N#Cc1cccc(C[NH+]2CCC([NH2+][C@@H]3CCC[C@@H](C#N)C3)CC2)c1 ZINC000593701980 400896368 /nfs/dbraw/zinc/89/63/68/400896368.db2.gz JHAMEMWGTJDCJI-YLJYHZDGSA-N 2 2 322.456 3.195 20 30 DGEDLP C[C@@H]1CC(F)(F)CC[NH+]1CC#CC[N@H+]1CCC(F)(F)C[C@H]1C ZINC000625980782 401272569 /nfs/dbraw/zinc/27/25/69/401272569.db2.gz QHIVVKIIKPNUJH-ZIAGYGMSSA-N 2 2 320.374 3.229 20 30 DGEDLP C[C@@H]1CC(F)(F)CC[NH+]1CC#CC[N@@H+]1CCC(F)(F)C[C@H]1C ZINC000625980782 401272572 /nfs/dbraw/zinc/27/25/72/401272572.db2.gz QHIVVKIIKPNUJH-ZIAGYGMSSA-N 2 2 320.374 3.229 20 30 DGEDLP C=CCOc1c(Cl)cc(C[NH2+]C[C@H]2CCC[N@@H+]2C)cc1OC ZINC000623376869 401503997 /nfs/dbraw/zinc/50/39/97/401503997.db2.gz FWHOJEZEGSDYDM-CQSZACIVSA-N 2 2 324.852 3.097 20 30 DGEDLP C=CCOc1c(Cl)cc(C[NH2+]C[C@H]2CCC[N@H+]2C)cc1OC ZINC000623376869 401504000 /nfs/dbraw/zinc/50/40/00/401504000.db2.gz FWHOJEZEGSDYDM-CQSZACIVSA-N 2 2 324.852 3.097 20 30 DGEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2ccc(F)c(F)c2N(C)C)CC1 ZINC000623407549 401509628 /nfs/dbraw/zinc/50/96/28/401509628.db2.gz KXAMVKKQHOUDHW-UHFFFAOYSA-N 2 2 323.431 3.161 20 30 DGEDLP C[C@H]1CC[N@H+](Cc2cn3ccccc3c2C#N)C[C@H]1n1cc[nH+]c1 ZINC000246660141 432152099 /nfs/dbraw/zinc/15/20/99/432152099.db2.gz DHBJDSMGZSOPHF-HNAYVOBHSA-N 2 2 319.412 3.091 20 30 DGEDLP C[C@H]1CC[N@@H+](Cc2cn3ccccc3c2C#N)C[C@H]1n1cc[nH+]c1 ZINC000246660141 432152103 /nfs/dbraw/zinc/15/21/03/432152103.db2.gz DHBJDSMGZSOPHF-HNAYVOBHSA-N 2 2 319.412 3.091 20 30 DGEDLP Cc1ccc([C@H](C[NH2+]Cc2cc(C#N)n(C)c2)[NH+]2CCCC2)cc1 ZINC000190908860 432200047 /nfs/dbraw/zinc/20/00/47/432200047.db2.gz AGBNKPWTOGVWBR-FQEVSTJZSA-N 2 2 322.456 3.132 20 30 DGEDLP N#Cc1ccc(C[NH2+]C2CC[NH+](C3CCCC3)CC2)c(F)c1 ZINC000151159802 432224886 /nfs/dbraw/zinc/22/48/86/432224886.db2.gz MDWLBKRNIVINFN-UHFFFAOYSA-N 2 2 301.409 3.194 20 30 DGEDLP C[N@@H+]1CCC[C@@H]1C(=O)Nc1ccc2c(c1)[nH+]c1n2CCCCC1 ZINC000329301697 277059786 /nfs/dbraw/zinc/05/97/86/277059786.db2.gz WITRDESRAGFHOB-MRXNPFEDSA-N 2 2 312.417 3.445 20 30 DGEDLP C[N@H+]1CCC[C@@H]1C(=O)Nc1ccc2c(c1)[nH+]c1n2CCCCC1 ZINC000329301697 277059787 /nfs/dbraw/zinc/05/97/87/277059787.db2.gz WITRDESRAGFHOB-MRXNPFEDSA-N 2 2 312.417 3.445 20 30 DGEDLP N#Cc1ccc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1F ZINC000248911100 432329692 /nfs/dbraw/zinc/32/96/92/432329692.db2.gz YCMLQHGKHAXYCD-QFBILLFUSA-N 2 2 313.420 3.146 20 30 DGEDLP N#Cc1ccc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1F ZINC000248911100 432329695 /nfs/dbraw/zinc/32/96/95/432329695.db2.gz YCMLQHGKHAXYCD-QFBILLFUSA-N 2 2 313.420 3.146 20 30 DGEDLP N#Cc1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1F ZINC000248911100 432329701 /nfs/dbraw/zinc/32/97/01/432329701.db2.gz YCMLQHGKHAXYCD-QFBILLFUSA-N 2 2 313.420 3.146 20 30 DGEDLP N#Cc1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1F ZINC000248911100 432329703 /nfs/dbraw/zinc/32/97/03/432329703.db2.gz YCMLQHGKHAXYCD-QFBILLFUSA-N 2 2 313.420 3.146 20 30 DGEDLP C#CCCOc1ccc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)cc1 ZINC000271195440 432349969 /nfs/dbraw/zinc/34/99/69/432349969.db2.gz OFMPHTPJUMZLMU-UHFFFAOYSA-N 2 2 309.413 3.191 20 30 DGEDLP C[C@H]([NH2+]Cc1ccc(C#N)o1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272134320 432450956 /nfs/dbraw/zinc/45/09/56/432450956.db2.gz AAFSBFNILMDMLX-DOTOQJQBSA-N 2 2 309.413 3.151 20 30 DGEDLP C[C@H]([NH2+]Cc1ccc(C#N)o1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272134320 432450960 /nfs/dbraw/zinc/45/09/60/432450960.db2.gz AAFSBFNILMDMLX-DOTOQJQBSA-N 2 2 309.413 3.151 20 30 DGEDLP C[NH+](C)[C@@H](CNC(=[NH2+])Nc1cc(F)ccc1F)c1ccsc1 ZINC000262305170 432481667 /nfs/dbraw/zinc/48/16/67/432481667.db2.gz RGRAWFMRKIFIPW-AWEZNQCLSA-N 2 2 324.400 3.056 20 30 DGEDLP C[C@H]1C[C@@H]([NH2+]CCSCc2ccccc2C#N)C[N@@H+]1C1CC1 ZINC000177822948 432664435 /nfs/dbraw/zinc/66/44/35/432664435.db2.gz FIVDNHRTTCVNDI-WMLDXEAASA-N 2 2 315.486 3.006 20 30 DGEDLP C[C@H]1C[C@@H]([NH2+]CCSCc2ccccc2C#N)C[N@H+]1C1CC1 ZINC000177822948 432664440 /nfs/dbraw/zinc/66/44/40/432664440.db2.gz FIVDNHRTTCVNDI-WMLDXEAASA-N 2 2 315.486 3.006 20 30 DGEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)c2cnn(Cc3ccccc3)c2)CC1 ZINC000177911555 432673597 /nfs/dbraw/zinc/67/35/97/432673597.db2.gz YQUJITZUPBMYBL-KRWDZBQOSA-N 2 2 324.472 3.232 20 30 DGEDLP N#Cc1ccc(F)c(C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c1 ZINC000266585124 432767881 /nfs/dbraw/zinc/76/78/81/432767881.db2.gz KAYXICFHELNBEM-INIZCTEOSA-N 2 2 301.409 3.005 20 30 DGEDLP N#Cc1ccc(F)c(C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c1 ZINC000266585124 432767884 /nfs/dbraw/zinc/76/78/84/432767884.db2.gz KAYXICFHELNBEM-INIZCTEOSA-N 2 2 301.409 3.005 20 30 DGEDLP C=CCOc1ccc(C[N@@H+]2CCC[C@@H]([NH+](C)C)CC2)cc1OC ZINC000277606016 432864120 /nfs/dbraw/zinc/86/41/20/432864120.db2.gz WAQAOTWKYPUIDP-QGZVFWFLSA-N 2 2 318.461 3.176 20 30 DGEDLP C=CCOc1ccc(C[N@H+]2CCC[C@@H]([NH+](C)C)CC2)cc1OC ZINC000277606016 432864123 /nfs/dbraw/zinc/86/41/23/432864123.db2.gz WAQAOTWKYPUIDP-QGZVFWFLSA-N 2 2 318.461 3.176 20 30 DGEDLP C#C[C@H]([NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)C(C)(C)C ZINC000290180557 433007835 /nfs/dbraw/zinc/00/78/35/433007835.db2.gz NTFGBTLUWDSAEG-IBGZPJMESA-N 2 2 309.457 3.160 20 30 DGEDLP C[C@@H]([NH2+]CC1(C[NH+](C)C)CCCC1)c1ccc(C#N)cc1F ZINC000355072918 433447868 /nfs/dbraw/zinc/44/78/68/433447868.db2.gz YNJXLBBMBVVRLX-CQSZACIVSA-N 2 2 303.425 3.470 20 30 DGEDLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](Cc2cccc(OCCCC#N)c2)C1 ZINC000377890004 434027362 /nfs/dbraw/zinc/02/73/62/434027362.db2.gz RMQUQVAROGTXKF-QGZVFWFLSA-N 2 2 324.428 3.092 20 30 DGEDLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](Cc2cccc(OCCCC#N)c2)C1 ZINC000377890004 434027375 /nfs/dbraw/zinc/02/73/75/434027375.db2.gz RMQUQVAROGTXKF-QGZVFWFLSA-N 2 2 324.428 3.092 20 30 DGEDLP COc1ccc([C@H]([NH2+]CC(C)(C)CC#N)[C@H]2CCC[NH2+]2)cc1 ZINC000423172430 434260799 /nfs/dbraw/zinc/26/07/99/434260799.db2.gz SXGBZXPWMGVPKU-SJORKVTESA-N 2 2 301.434 3.018 20 30 DGEDLP N#C[C@@H]1CCC[C@H]([NH2+][C@@H]2C[NH2+]CC[C@H]2c2ccc(F)c(F)c2)C1 ZINC000423361023 434382134 /nfs/dbraw/zinc/38/21/34/434382134.db2.gz GKQCLPGTIDUPDQ-OYUZRVEBSA-N 2 2 319.399 3.082 20 30 DGEDLP C=CC[C@H](C)[C@H](C)[NH2+]CC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000423545483 434485790 /nfs/dbraw/zinc/48/57/90/434485790.db2.gz CRCYLHXVHWHVPQ-ROUUACIJSA-N 3 2 315.505 3.170 20 30 DGEDLP N#CC1(C[N@@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)CCC1 ZINC000451050328 434547004 /nfs/dbraw/zinc/54/70/04/434547004.db2.gz QLMZLOJNUTYPQB-OALUTQOASA-N 2 2 309.457 3.134 20 30 DGEDLP N#CC1(C[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)CCC1 ZINC000451050328 434547010 /nfs/dbraw/zinc/54/70/10/434547010.db2.gz QLMZLOJNUTYPQB-OALUTQOASA-N 2 2 309.457 3.134 20 30 DGEDLP N#CC1(C[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)CCC1 ZINC000451050328 434547015 /nfs/dbraw/zinc/54/70/15/434547015.db2.gz QLMZLOJNUTYPQB-OALUTQOASA-N 2 2 309.457 3.134 20 30 DGEDLP N#CC1(C[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)CCC1 ZINC000451050328 434547020 /nfs/dbraw/zinc/54/70/20/434547020.db2.gz QLMZLOJNUTYPQB-OALUTQOASA-N 2 2 309.457 3.134 20 30 DGEDLP N#CCCCOc1cccc(C[NH2+]Cc2c[nH+]c3n2CCCC3)c1 ZINC000368495202 434574129 /nfs/dbraw/zinc/57/41/29/434574129.db2.gz JAUQOKJJWHHOGY-UHFFFAOYSA-N 2 2 324.428 3.192 20 30 DGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@H]3CCC[C@@H]4C[C@@H]43)CC2)cc1 ZINC000459764468 434707324 /nfs/dbraw/zinc/70/73/24/434707324.db2.gz ORESYRBUEFUWAD-HOJAQTOUSA-N 2 2 309.457 3.301 20 30 DGEDLP N#Cc1ccccc1C[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000361059179 434781386 /nfs/dbraw/zinc/78/13/86/434781386.db2.gz FNEQHFKNBBCDCI-UHFFFAOYSA-N 2 2 308.429 3.447 20 30 DGEDLP CC[C@H](C[NH2+][C@@H]1CCC[C@@H](C#N)C1)[N@@H+]1CCc2ccccc2C1 ZINC000463287916 434952572 /nfs/dbraw/zinc/95/25/72/434952572.db2.gz NWEKUOARFUZWRH-NSISKUIASA-N 2 2 311.473 3.495 20 30 DGEDLP CC[C@H](C[NH2+][C@@H]1CCC[C@@H](C#N)C1)[N@H+]1CCc2ccccc2C1 ZINC000463287916 434952575 /nfs/dbraw/zinc/95/25/75/434952575.db2.gz NWEKUOARFUZWRH-NSISKUIASA-N 2 2 311.473 3.495 20 30 DGEDLP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+]C[C@@H](C#N)CCC#N ZINC000577503249 435061442 /nfs/dbraw/zinc/06/14/42/435061442.db2.gz OCAUHFKWPXTJCX-ZHALLVOQSA-N 2 2 324.472 3.176 20 30 DGEDLP C#C[C@@H]([NH2+]Cc1cn(-c2cc[nH+]cc2)nc1C)c1ccc(F)cc1 ZINC000491666845 435788252 /nfs/dbraw/zinc/78/82/52/435788252.db2.gz JZLRPDZHDJLPJV-LJQANCHMSA-N 2 2 320.371 3.179 20 30 DGEDLP C=CCOc1ccc(C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000655858173 435849951 /nfs/dbraw/zinc/84/99/51/435849951.db2.gz YNSDINBYELMSSF-MOPGFXCFSA-N 2 2 300.446 3.358 20 30 DGEDLP C=CCOc1ccc(C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)cc1 ZINC000655858173 435849955 /nfs/dbraw/zinc/84/99/55/435849955.db2.gz YNSDINBYELMSSF-MOPGFXCFSA-N 2 2 300.446 3.358 20 30 DGEDLP C=CC[NH+]1CCC([NH2+][C@H]2CCc3cccc(Cl)c3C2)CC1 ZINC000666088940 436144528 /nfs/dbraw/zinc/14/45/28/436144528.db2.gz TXHBLOURMUFNDE-INIZCTEOSA-N 2 2 304.865 3.437 20 30 DGEDLP C=CCC[C@H](CCC)[NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000559898971 332290582 /nfs/dbraw/zinc/29/05/82/332290582.db2.gz IQNMRKRSASEUCT-VQTJNVASSA-N 2 2 316.489 3.130 20 30 DGEDLP C=CCC[C@H](CCC)[NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000559898971 332290583 /nfs/dbraw/zinc/29/05/83/332290583.db2.gz IQNMRKRSASEUCT-VQTJNVASSA-N 2 2 316.489 3.130 20 30 DGEDLP C=C(C)C[NH+]1CCC([NH2+][C@@H](c2ccccc2)c2cncnc2)CC1 ZINC000543592899 341049874 /nfs/dbraw/zinc/04/98/74/341049874.db2.gz KCZFCFDZPKKWIT-FQEVSTJZSA-N 2 2 322.456 3.196 20 30 DGEDLP N#CCC[C@@H](C#N)C[NH2+]Cc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000577999576 341966546 /nfs/dbraw/zinc/96/65/46/341966546.db2.gz WFCBTXVZTREZLM-ZDUSSCGKSA-N 2 2 313.792 3.059 20 30 DGEDLP Cc1[nH+]cc(C[NH2+]Cc2cccc(C#N)c2)n1-c1ccccc1 ZINC000173842853 534741973 /nfs/dbraw/zinc/74/19/73/534741973.db2.gz XNGVVWUDJWFGGJ-UHFFFAOYSA-N 2 2 302.381 3.342 20 30 DGEDLP C=CCOCCC[N@H+]1CCC[C@@H]1Cn1c(C)[nH+]c2ccccc21 ZINC000348037366 526754391 /nfs/dbraw/zinc/75/43/91/526754391.db2.gz QTJOKFXCWGPDTP-QGZVFWFLSA-N 2 2 313.445 3.402 20 30 DGEDLP C=CCOCCC[N@@H+]1CCC[C@@H]1Cn1c(C)[nH+]c2ccccc21 ZINC000348037366 526754397 /nfs/dbraw/zinc/75/43/97/526754397.db2.gz QTJOKFXCWGPDTP-QGZVFWFLSA-N 2 2 313.445 3.402 20 30 DGEDLP C=C(CC)C[NH+](C)C[C@@H]1CCC[N@@H+](CC)[C@H]1c1cnn(C)c1 ZINC000434738862 526850493 /nfs/dbraw/zinc/85/04/93/526850493.db2.gz PRXGJKNVMVRMSC-FUHWJXTLSA-N 2 2 304.482 3.091 20 30 DGEDLP C=C(CC)C[NH+](C)C[C@@H]1CCC[N@H+](CC)[C@H]1c1cnn(C)c1 ZINC000434738862 526850501 /nfs/dbraw/zinc/85/05/01/526850501.db2.gz PRXGJKNVMVRMSC-FUHWJXTLSA-N 2 2 304.482 3.091 20 30 DGEDLP C=C(CC)C[N@@H+](C)C[C@@H]1CCC[NH+](CC)[C@H]1c1cnn(C)c1 ZINC000434738862 526850505 /nfs/dbraw/zinc/85/05/05/526850505.db2.gz PRXGJKNVMVRMSC-FUHWJXTLSA-N 2 2 304.482 3.091 20 30 DGEDLP C=C(CC)C[N@H+](C)C[C@@H]1CCC[NH+](CC)[C@H]1c1cnn(C)c1 ZINC000434738862 526850508 /nfs/dbraw/zinc/85/05/08/526850508.db2.gz PRXGJKNVMVRMSC-FUHWJXTLSA-N 2 2 304.482 3.091 20 30 DGEDLP C=CCOc1cccc(C[NH2+][C@@H]2C[NH2+]C[C@H]2c2ccccc2)c1 ZINC000415056520 526904308 /nfs/dbraw/zinc/90/43/08/526904308.db2.gz SDDWVOSBTIEODD-VQTJNVASSA-N 2 2 308.425 3.097 20 30 DGEDLP C=CCOc1ccccc1C[NH2+]C[C@H]1CCCn2cc(C)[nH+]c21 ZINC000344535802 526951046 /nfs/dbraw/zinc/95/10/46/526951046.db2.gz JCRKIDFCWYKJDL-QGZVFWFLSA-N 2 2 311.429 3.424 20 30 DGEDLP C=CCC[C@H]([NH2+]CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccco1 ZINC000353456734 527484150 /nfs/dbraw/zinc/48/41/50/527484150.db2.gz WTJUXVNAKYOFSN-BBWFWOEESA-N 2 2 306.450 3.376 20 30 DGEDLP C=CCC[C@H]([NH2+]CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccco1 ZINC000353456734 527484153 /nfs/dbraw/zinc/48/41/53/527484153.db2.gz WTJUXVNAKYOFSN-BBWFWOEESA-N 2 2 306.450 3.376 20 30 DGEDLP CCC[NH+]1CCC(NC(=O)Nc2c(C)cc(C)[nH+]c2C)CC1 ZINC000331317079 528181408 /nfs/dbraw/zinc/18/14/08/528181408.db2.gz JODCLXSFJJEANC-UHFFFAOYSA-N 2 2 304.438 3.207 20 30 DGEDLP CC1(C#N)CCC([NH2+]C2CC[NH+](Cc3ccncc3)CC2)CC1 ZINC000449092799 535273375 /nfs/dbraw/zinc/27/33/75/535273375.db2.gz UMMLYWVGWMDSLT-UHFFFAOYSA-N 2 2 312.461 3.108 20 30 DGEDLP C=CCC[C@H](CC)[NH2+][C@]1(CO)CCC[N@H+](Cc2ccccc2)C1 ZINC000679045138 548822364 /nfs/dbraw/zinc/82/23/64/548822364.db2.gz SQTILFBNXWIJPU-VQTJNVASSA-N 2 2 316.489 3.348 20 30 DGEDLP C=CCC[C@H](CC)[NH2+][C@]1(CO)CCC[N@@H+](Cc2ccccc2)C1 ZINC000679045138 548822367 /nfs/dbraw/zinc/82/23/67/548822367.db2.gz SQTILFBNXWIJPU-VQTJNVASSA-N 2 2 316.489 3.348 20 30 DGEDLP C=CC[NH+]1CCC([NH2+]C2CC(c3ccc(F)cc3F)C2)CC1 ZINC000892881250 618338558 /nfs/dbraw/zinc/33/85/58/618338558.db2.gz SZYQMJWQUYIILK-UHFFFAOYSA-N 2 2 306.400 3.451 20 30 DGEDLP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)c2cccc3c2OCO3)CC1 ZINC000924989411 618757906 /nfs/dbraw/zinc/75/79/06/618757906.db2.gz VATHJUKAPWGFHN-AWEZNQCLSA-N 2 2 302.418 3.106 20 30 DGEDLP C[C@@H]([NH2+]CCC[N@H+](C)C1CCCCC1)c1cc(C#N)ccn1 ZINC000902731324 619666966 /nfs/dbraw/zinc/66/69/66/619666966.db2.gz KGPGQXSTBYOGSO-OAHLLOKOSA-N 2 2 300.450 3.258 20 30 DGEDLP C[C@@H]([NH2+]CCC[N@@H+](C)C1CCCCC1)c1cc(C#N)ccn1 ZINC000902731324 619666967 /nfs/dbraw/zinc/66/69/67/619666967.db2.gz KGPGQXSTBYOGSO-OAHLLOKOSA-N 2 2 300.450 3.258 20 30 DGEDLP CC[C@@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1cccc(C#N)c1 ZINC000902741773 619668381 /nfs/dbraw/zinc/66/83/81/619668381.db2.gz GLQDWDGWAKEQBK-GOSISDBHSA-N 2 2 308.429 3.374 20 30 DGEDLP N#CC1CCC(C[N@@H+](CC[NH3+])Cc2cccc(Cl)c2)CC1 ZINC000903481719 619780767 /nfs/dbraw/zinc/78/07/67/619780767.db2.gz KTGKJMFBUHOHGC-UHFFFAOYSA-N 2 2 305.853 3.431 20 30 DGEDLP N#CC1CCC(C[N@H+](CC[NH3+])Cc2cccc(Cl)c2)CC1 ZINC000903481719 619780768 /nfs/dbraw/zinc/78/07/68/619780768.db2.gz KTGKJMFBUHOHGC-UHFFFAOYSA-N 2 2 305.853 3.431 20 30 DGEDLP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)c1csc(-c2ccccc2)n1 ZINC000840753952 620604789 /nfs/dbraw/zinc/60/47/89/620604789.db2.gz ATBCEHZAVBNCGO-HNNXBMFYSA-N 2 2 313.470 3.416 20 30 DGEDLP C#CC[N@H+](C)CCC[NH2+][C@@H](C)c1csc(-c2ccccc2)n1 ZINC000840753952 620604790 /nfs/dbraw/zinc/60/47/90/620604790.db2.gz ATBCEHZAVBNCGO-HNNXBMFYSA-N 2 2 313.470 3.416 20 30 DGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]CCC3CC=CC3)CC2)cc1 ZINC000922734860 621092758 /nfs/dbraw/zinc/09/27/58/621092758.db2.gz KIIDLYHUHXLQMN-UHFFFAOYSA-N 2 2 309.457 3.469 20 30 DGEDLP C[C@@H](C#N)Oc1ccc(C[NH2+]C[C@@H]2CC[N@@H+]2C2CCCC2)cc1 ZINC000858285390 621171785 /nfs/dbraw/zinc/17/17/85/621171785.db2.gz LAMKTKBVFJYHHF-YJBOKZPZSA-N 2 2 313.445 3.084 20 30 DGEDLP C[C@@H](C#N)Oc1ccc(C[NH2+]C[C@@H]2CC[N@H+]2C2CCCC2)cc1 ZINC000858285390 621171788 /nfs/dbraw/zinc/17/17/88/621171788.db2.gz LAMKTKBVFJYHHF-YJBOKZPZSA-N 2 2 313.445 3.084 20 30 DGEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2cc(F)cc(OCC)c2)CC1 ZINC000865453902 621925212 /nfs/dbraw/zinc/92/52/12/621925212.db2.gz LKYJBGLFBKSJTA-UHFFFAOYSA-N 2 2 306.425 3.355 20 30 DGEDLP C[C@H](C#N)Oc1ccc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)cc1 ZINC000769188029 622506437 /nfs/dbraw/zinc/50/64/37/622506437.db2.gz DVUBXHSAEDVNTP-CQSZACIVSA-N 2 2 310.401 3.080 20 30 DGEDLP C[NH+](C)c1ccc(N2CCC([NH2+][C@@H]3CC[C@H](C#N)C3)CC2)cc1 ZINC000770005042 622589574 /nfs/dbraw/zinc/58/95/74/622589574.db2.gz RNTZKXASZYTZDQ-DOTOQJQBSA-N 2 2 312.461 3.003 20 30 DGEDLP C#C[C@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)CC1 ZINC000872140679 622832115 /nfs/dbraw/zinc/83/21/15/622832115.db2.gz VTVROMCVHCLBER-CGBFIWBNSA-N 2 2 311.473 3.074 20 30 DGEDLP C#C[C@H]1CC[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)CC1 ZINC000872140679 622832118 /nfs/dbraw/zinc/83/21/18/622832118.db2.gz VTVROMCVHCLBER-CGBFIWBNSA-N 2 2 311.473 3.074 20 30 DGEDLP C#CCOc1cccc(Cl)c1C[NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000778177161 623620443 /nfs/dbraw/zinc/62/04/43/623620443.db2.gz PQTVBVHWANGTGA-CABCVRRESA-N 2 2 320.864 3.314 20 30 DGEDLP C=CCC[C@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)[C@@H]1CCCO1 ZINC000883177357 625955428 /nfs/dbraw/zinc/95/54/28/625955428.db2.gz YSIMSQYCARSKTI-HKUYNNGSSA-N 2 2 311.429 3.476 20 30 DGEDLP C#C[C@H]([NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1)C(C)(C)C ZINC000809782296 626952485 /nfs/dbraw/zinc/95/24/85/626952485.db2.gz NTLHODWUHIQEJX-IBGZPJMESA-N 2 2 313.489 3.359 20 30 DGEDLP C#CC[N@H+](C)CCC[NH2+][C@@H]1CCCOc2cc(Cl)ccc21 ZINC000815652095 627694716 /nfs/dbraw/zinc/69/47/16/627694716.db2.gz OMDTXLKWEWXUGY-MRXNPFEDSA-N 2 2 306.837 3.098 20 30 DGEDLP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CCCOc2cc(Cl)ccc21 ZINC000815652095 627694717 /nfs/dbraw/zinc/69/47/17/627694717.db2.gz OMDTXLKWEWXUGY-MRXNPFEDSA-N 2 2 306.837 3.098 20 30 DGEDLP CC[C@H]([NH2+]CC1CC[NH+](C2CC2)CC1)c1cccc(C#N)c1O ZINC000926309788 627877835 /nfs/dbraw/zinc/87/78/35/627877835.db2.gz RSKLIIRPOSEQCJ-SFHVURJKSA-N 2 2 313.445 3.179 20 30 DGEDLP CC[C@H]([NH2+]C1CCC([NH+](C)C)CC1)c1cccc(C#N)c1O ZINC000926604602 627921314 /nfs/dbraw/zinc/92/13/14/627921314.db2.gz QPBUAGSZIBPUNL-DQPZFDDXSA-N 2 2 301.434 3.177 20 30 DGEDLP C#CCCOc1ccc(C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000848575427 631701494 /nfs/dbraw/zinc/70/14/94/631701494.db2.gz QOLBLKXVACLCDO-PMACEKPBSA-N 2 2 312.457 3.195 20 30 DGEDLP C#CCCOc1ccc(C[NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)cc1 ZINC000848575427 631701496 /nfs/dbraw/zinc/70/14/96/631701496.db2.gz QOLBLKXVACLCDO-PMACEKPBSA-N 2 2 312.457 3.195 20 30 DGEDLP C=CC[NH+]1CCC([C@@H](C)NC(=O)c2c(C)cc(C)[nH+]c2C)CC1 ZINC000997236761 660316328 /nfs/dbraw/zinc/31/63/28/660316328.db2.gz FMEUTXYPEBUIQE-OAHLLOKOSA-N 2 2 315.461 3.023 20 30 DGEDLP CC(C)(C)NC(=[NH2+])NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000303877784 657570045 /nfs/dbraw/zinc/57/00/45/657570045.db2.gz FPXAOMOWNRWIJP-OAHLLOKOSA-N 2 2 322.884 3.180 20 30 DGEDLP CC[NH+](CC)[C@H](CNC(=[NH2+])N1CCCCCC1)c1ccsc1 ZINC000305049372 657668460 /nfs/dbraw/zinc/66/84/60/657668460.db2.gz GQSZHYDSRMZZPX-MRXNPFEDSA-N 2 2 322.522 3.322 20 30 DGEDLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3cc(Cl)cc(C#N)c3)CC[C@@H]21 ZINC000929848019 661344523 /nfs/dbraw/zinc/34/45/23/661344523.db2.gz OFGBKTRGBJLUBL-WBVHZDCISA-N 2 2 303.837 3.128 20 30 DGEDLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3cc(Cl)cc(C#N)c3)CC[C@@H]21 ZINC000929848019 661344524 /nfs/dbraw/zinc/34/45/24/661344524.db2.gz OFGBKTRGBJLUBL-WBVHZDCISA-N 2 2 303.837 3.128 20 30 DGEDLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cc(Cl)cc(C#N)c3)CC[C@@H]21 ZINC000929848019 661344526 /nfs/dbraw/zinc/34/45/26/661344526.db2.gz OFGBKTRGBJLUBL-WBVHZDCISA-N 2 2 303.837 3.128 20 30 DGEDLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cc(Cl)cc(C#N)c3)CC[C@@H]21 ZINC000929848019 661344528 /nfs/dbraw/zinc/34/45/28/661344528.db2.gz OFGBKTRGBJLUBL-WBVHZDCISA-N 2 2 303.837 3.128 20 30 DGEDLP Cc1cccc(NC[C@H]2CCC[N@@H+]2Cc2csc(C#N)c2)[nH+]1 ZINC001335423168 1178907745 /nfs/dbraw/zinc/90/77/45/1178907745.db2.gz YSEQAAOPWNQOBA-OAHLLOKOSA-N 2 2 312.442 3.400 20 30 DGEDLP Cc1cccc(NC[C@H]2CCC[N@H+]2Cc2csc(C#N)c2)[nH+]1 ZINC001335423168 1178907748 /nfs/dbraw/zinc/90/77/48/1178907748.db2.gz YSEQAAOPWNQOBA-OAHLLOKOSA-N 2 2 312.442 3.400 20 30 DGEDLP Cc1cccc(NC[C@H]2CCC[N@@H+]2Cc2cc(C#N)cs2)[nH+]1 ZINC001341567152 1179029285 /nfs/dbraw/zinc/02/92/85/1179029285.db2.gz CUPYGHKDONPUEB-OAHLLOKOSA-N 2 2 312.442 3.400 20 30 DGEDLP CC(C)(C)n1c[nH+]cc1[C@H]1CCC[N@H+](Cc2cccc(C#N)n2)C1 ZINC001462666396 1182982778 /nfs/dbraw/zinc/98/27/78/1182982778.db2.gz KAJOPQZKPKUUJQ-HNNXBMFYSA-N 2 2 323.444 3.284 20 30 DGEDLP CC(C)(C)n1c[nH+]cc1[C@H]1CCC[N@@H+](Cc2cccc(C#N)n2)C1 ZINC001462666396 1182982782 /nfs/dbraw/zinc/98/27/82/1182982782.db2.gz KAJOPQZKPKUUJQ-HNNXBMFYSA-N 2 2 323.444 3.284 20 30 DGEDLP C=C(C)C[NH2+]C[C@H](CCCC)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001506533089 1186240203 /nfs/dbraw/zinc/24/02/03/1186240203.db2.gz AQSOMUFXHXGMMB-HNNXBMFYSA-N 2 2 314.433 3.017 20 30 DGEDLP C#CC[N@H+](C)CCC[NH2+]Cc1cc(C(F)(F)F)ccc1Cl ZINC001560488616 1189333050 /nfs/dbraw/zinc/33/30/50/1189333050.db2.gz LWZIZSMHUMKEBQ-UHFFFAOYSA-N 2 2 318.770 3.404 20 30 DGEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1cc(C(F)(F)F)ccc1Cl ZINC001560488616 1189333054 /nfs/dbraw/zinc/33/30/54/1189333054.db2.gz LWZIZSMHUMKEBQ-UHFFFAOYSA-N 2 2 318.770 3.404 20 30 DGEDLP C=CCC[C@@H](C)[NH2+]CC[C@@H](C)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001568647317 1190573603 /nfs/dbraw/zinc/57/36/03/1190573603.db2.gz XXFLWUHUTCKBSA-ZIAGYGMSSA-N 2 2 314.433 3.016 20 30 DGEDLP C=C(C)C[NH2+]C1(C)CCN(C(=O)c2c(C)cc(C)[nH+]c2C)CC1 ZINC001673972052 1197713832 /nfs/dbraw/zinc/71/38/32/1197713832.db2.gz GVSZUQBRDPXAOK-UHFFFAOYSA-N 2 2 315.461 3.167 20 30 DGEDLP C=CCC[C@@H](C)[N@H+](C)[C@@H](C)CNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001674964978 1197936990 /nfs/dbraw/zinc/93/69/90/1197936990.db2.gz HHIUEMXAYLSCOK-CVEARBPZSA-N 2 2 317.477 3.412 20 30 DGEDLP C=CCC[C@@H](C)[N@@H+](C)[C@@H](C)CNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001674964978 1197936999 /nfs/dbraw/zinc/93/69/99/1197936999.db2.gz HHIUEMXAYLSCOK-CVEARBPZSA-N 2 2 317.477 3.412 20 30 DGEDLP C=C(C)CC[NH2+]C[C@@H]1CCCN1C(=O)c1c(C)cc(C)[nH+]c1C ZINC001754614941 1200395964 /nfs/dbraw/zinc/39/59/64/1200395964.db2.gz VQXCWUALFXFNSZ-KRWDZBQOSA-N 2 2 315.461 3.167 20 30 DGEDLP C=C(C)CC[NH2+]C[C@@H](C)N(C)C(=O)c1c(C)cc(C)[nH+]c1C ZINC001698836641 1201491255 /nfs/dbraw/zinc/49/12/55/1201491255.db2.gz CXMFGKCIIJQXKQ-OAHLLOKOSA-N 2 2 303.450 3.023 20 30 DGEDLP C=C(C)C[NH2+]C[C@H]1CC[C@H](NC(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001700901797 1202367631 /nfs/dbraw/zinc/36/76/31/1202367631.db2.gz QUJRJGLBWMOCDA-IRXDYDNUSA-N 2 2 315.461 3.071 20 30 DGEDLP CC[NH+](CC)[C@@H](CNC(=[NH2+])Nc1ccccc1C)c1ccco1 ZINC000170910038 1203839542 /nfs/dbraw/zinc/83/95/42/1203839542.db2.gz ZSDRNPPSCNTAPP-INIZCTEOSA-N 2 2 314.433 3.398 20 30 DGEDLP C[C@@H](C[NH+](C)C)[C@@H]1CCCC[N@@H+]1Cc1ccc(C#N)cc1F ZINC001183065166 1083870544 /nfs/dbraw/zinc/87/05/44/1083870544.db2.gz HPJHRAHNJIPXOZ-KSSFIOAISA-N 2 2 303.425 3.250 20 30 DGEDLP C[C@@H](C[NH+](C)C)[C@@H]1CCCC[N@H+]1Cc1ccc(C#N)cc1F ZINC001183065166 1083870551 /nfs/dbraw/zinc/87/05/51/1083870551.db2.gz HPJHRAHNJIPXOZ-KSSFIOAISA-N 2 2 303.425 3.250 20 30 DGEDLP C[C@@H]1[C@H]([NH3+])CC[N@@H+]1Cc1ccc(N(C)c2ccc(C#N)cc2)cc1 ZINC001205177280 1091121424 /nfs/dbraw/zinc/12/14/24/1091121424.db2.gz HSHDZIULTDOFCN-FOIQADDNSA-N 2 2 320.440 3.248 20 30 DGEDLP C[C@@H]1[C@H]([NH3+])CC[N@H+]1Cc1ccc(N(C)c2ccc(C#N)cc2)cc1 ZINC001205177280 1091121425 /nfs/dbraw/zinc/12/14/25/1091121425.db2.gz HSHDZIULTDOFCN-FOIQADDNSA-N 2 2 320.440 3.248 20 30 DGEDLP C=C(C[NH+]1CCCC1)c1nc(-c2ccc(-n3cc[nH+]c3)cc2)no1 ZINC001206094704 1091490455 /nfs/dbraw/zinc/49/04/55/1091490455.db2.gz UYLHHNOVABUDNO-UHFFFAOYSA-N 2 2 321.384 3.031 20 30 DGEDLP CC(C)[N@H+](Cc1c[nH]c2c1cccc2C#N)C1CC[NH+](C)CC1 ZINC001139706888 1091648177 /nfs/dbraw/zinc/64/81/77/1091648177.db2.gz BQFNQTHYNSYDNG-UHFFFAOYSA-N 2 2 310.445 3.344 20 30 DGEDLP CC(C)[N@@H+](Cc1c[nH]c2c1cccc2C#N)C1CC[NH+](C)CC1 ZINC001139706888 1091648180 /nfs/dbraw/zinc/64/81/80/1091648180.db2.gz BQFNQTHYNSYDNG-UHFFFAOYSA-N 2 2 310.445 3.344 20 30 DGEDLP N#Cc1cccc(CCC[NH+]2CCC(Oc3cc[nH+]cc3)CC2)c1 ZINC001208846319 1092541454 /nfs/dbraw/zinc/54/14/54/1092541454.db2.gz ZZBXOFMKSDXKNQ-UHFFFAOYSA-N 2 2 321.424 3.429 20 30 DGEDLP Cc1cc(C#N)cc(C)c1-c1ccn2c[nH+]c(C3C[NH2+]C3)c2c1 ZINC001222654762 1095708005 /nfs/dbraw/zinc/70/80/05/1095708005.db2.gz CXOSWBBGNSMIDC-UHFFFAOYSA-N 2 2 302.381 3.177 20 30 DGEDLP Cc1cc(C#N)cc(C)c1-c1ccc(C[N@@H+]2CC[C@@H]([NH3+])C2)cc1 ZINC001222666949 1095714774 /nfs/dbraw/zinc/71/47/74/1095714774.db2.gz PZYLNEVZSFWSLK-LJQANCHMSA-N 2 2 305.425 3.375 20 30 DGEDLP Cc1cc(C#N)cc(C)c1-c1ccc(C[N@H+]2CC[C@@H]([NH3+])C2)cc1 ZINC001222666949 1095714785 /nfs/dbraw/zinc/71/47/85/1095714785.db2.gz PZYLNEVZSFWSLK-LJQANCHMSA-N 2 2 305.425 3.375 20 30 DGEDLP C[C@@H](Cc1cccc(C#N)c1)[NH+]1CCC(Oc2cc[nH+]cc2)CC1 ZINC001171209979 1095770114 /nfs/dbraw/zinc/77/01/14/1095770114.db2.gz OFMRRABPLRXPKH-INIZCTEOSA-N 2 2 321.424 3.428 20 30 DGEDLP COc1cccc(C[NH+]2CCC([NH2+][C@@H](C)CCCC#N)CC2)c1 ZINC001172489789 1097167412 /nfs/dbraw/zinc/16/74/12/1097167412.db2.gz ZVSALJKZHSYBQT-INIZCTEOSA-N 2 2 315.461 3.332 20 30 DGEDLP N#CCC1CCC([NH2+]CC2CCN(c3cccc[nH+]3)CC2)CC1 ZINC001173329762 1097419113 /nfs/dbraw/zinc/41/91/13/1097419113.db2.gz IPFAUTWTIHHPJN-UHFFFAOYSA-N 2 2 312.461 3.360 20 30 DGEDLP C[N@H+](Cc1cccc(C#N)n1)C1CC[NH+](C2CCCCC2)CC1 ZINC001232927275 1098174860 /nfs/dbraw/zinc/17/48/60/1098174860.db2.gz WYMQWQSWWPDLBB-UHFFFAOYSA-N 2 2 312.461 3.182 20 30 DGEDLP C[N@@H+](Cc1cccc(C#N)n1)C1CC[NH+](C2CCCCC2)CC1 ZINC001232927275 1098174863 /nfs/dbraw/zinc/17/48/63/1098174863.db2.gz WYMQWQSWWPDLBB-UHFFFAOYSA-N 2 2 312.461 3.182 20 30 DGEDLP [NH3+][C@@]12C[C@@H]1CC[N@H+](Cc1ccc(C#Cc3ccccc3)cc1)C2 ZINC001235160350 1098847478 /nfs/dbraw/zinc/84/74/78/1098847478.db2.gz KYJQGTYQGRAWBF-LEWJYISDSA-N 2 2 302.421 3.010 20 30 DGEDLP [NH3+][C@@]12C[C@@H]1CC[N@@H+](Cc1ccc(C#Cc3ccccc3)cc1)C2 ZINC001235160350 1098847486 /nfs/dbraw/zinc/84/74/86/1098847486.db2.gz KYJQGTYQGRAWBF-LEWJYISDSA-N 2 2 302.421 3.010 20 30 DGEDLP C#CCOc1cccc(Cl)c1C[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC001179160494 1099031876 /nfs/dbraw/zinc/03/18/76/1099031876.db2.gz XJWUWRUPRHGODO-OAHLLOKOSA-N 2 2 320.864 3.174 20 30 DGEDLP C#CCOc1cccc(Cl)c1C[NH2+]C[C@H]1CCCC[N@H+](C)C1 ZINC001179160494 1099031889 /nfs/dbraw/zinc/03/18/89/1099031889.db2.gz XJWUWRUPRHGODO-OAHLLOKOSA-N 2 2 320.864 3.174 20 30 DGEDLP [NH3+][C@]12CC[C@H]1C[N@H+](Cc1ccc(C#Cc3ccccc3)cc1)C2 ZINC001235982259 1099308441 /nfs/dbraw/zinc/30/84/41/1099308441.db2.gz UQJWHFDYRCRSOG-SFTDATJTSA-N 2 2 302.421 3.010 20 30 DGEDLP [NH3+][C@]12CC[C@H]1C[N@@H+](Cc1ccc(C#Cc3ccccc3)cc1)C2 ZINC001235982259 1099308450 /nfs/dbraw/zinc/30/84/50/1099308450.db2.gz UQJWHFDYRCRSOG-SFTDATJTSA-N 2 2 302.421 3.010 20 30 DGEDLP C[C@@H]([NH3+])C[N@@H+]1CC[C@@H](C(C#N)(c2ccccc2)c2ccccc2)C1 ZINC001236159009 1099437830 /nfs/dbraw/zinc/43/78/30/1099437830.db2.gz SNYXCBYWSURYSW-YLJYHZDGSA-N 2 2 319.452 3.165 20 30 DGEDLP C[C@@H]([NH3+])C[N@H+]1CC[C@@H](C(C#N)(c2ccccc2)c2ccccc2)C1 ZINC001236159009 1099437833 /nfs/dbraw/zinc/43/78/33/1099437833.db2.gz SNYXCBYWSURYSW-YLJYHZDGSA-N 2 2 319.452 3.165 20 30 DGEDLP C=CCc1cccc(C[N@@H+](CC(C)C)[C@@H]2CCC[NH2+]C2)c1O ZINC001236477427 1099635122 /nfs/dbraw/zinc/63/51/22/1099635122.db2.gz DFGDFHRCCXOEIC-GOSISDBHSA-N 2 2 302.462 3.331 20 30 DGEDLP C=CCc1cccc(C[N@H+](CC(C)C)[C@@H]2CCC[NH2+]C2)c1O ZINC001236477427 1099635124 /nfs/dbraw/zinc/63/51/24/1099635124.db2.gz DFGDFHRCCXOEIC-GOSISDBHSA-N 2 2 302.462 3.331 20 30 DGEDLP N#Cc1cc(-c2cc[nH+]c(N3CCCCC3)c2)cc(C2C[NH2+]C2)c1 ZINC001240345146 1100950621 /nfs/dbraw/zinc/95/06/21/1100950621.db2.gz BORLUGFCQGCFGO-UHFFFAOYSA-N 2 2 318.424 3.297 20 30 DGEDLP N#Cc1ccc(CC[NH2+][C@@H](Cn2cc[nH+]c2)c2ccccc2)cc1 ZINC001197264007 1101513960 /nfs/dbraw/zinc/51/39/60/1101513960.db2.gz JCTQCSRWLRJVFT-FQEVSTJZSA-N 2 2 316.408 3.328 20 30 DGEDLP CC(C)(C[NH2+]C1CC(C#N)(c2ccccc2)C1)[NH+]1CCCCC1 ZINC001326055898 1103196359 /nfs/dbraw/zinc/19/63/59/1103196359.db2.gz DDKWDQYQCQBWKM-UHFFFAOYSA-N 2 2 311.473 3.464 20 30 DGEDLP N#Cc1ccc(-c2ccc(C[N@H+]3CC[C@H]([NH3+])C3)cc2)c(Cl)c1 ZINC001244329783 1103365273 /nfs/dbraw/zinc/36/52/73/1103365273.db2.gz YXOQQRMEMZKOGN-INIZCTEOSA-N 2 2 311.816 3.412 20 30 DGEDLP N#Cc1ccc(-c2ccc(C[N@@H+]3CC[C@H]([NH3+])C3)cc2)c(Cl)c1 ZINC001244329783 1103365285 /nfs/dbraw/zinc/36/52/85/1103365285.db2.gz YXOQQRMEMZKOGN-INIZCTEOSA-N 2 2 311.816 3.412 20 30 DGEDLP N#Cc1ccc(-c2cccc(C[N@H+]3CC[C@@H]([NH3+])C3)c2)c(Cl)c1 ZINC001244327670 1103365363 /nfs/dbraw/zinc/36/53/63/1103365363.db2.gz AMHICWQYNXVSGA-MRXNPFEDSA-N 2 2 311.816 3.412 20 30 DGEDLP N#Cc1ccc(-c2cccc(C[N@@H+]3CC[C@@H]([NH3+])C3)c2)c(Cl)c1 ZINC001244327670 1103365380 /nfs/dbraw/zinc/36/53/80/1103365380.db2.gz AMHICWQYNXVSGA-MRXNPFEDSA-N 2 2 311.816 3.412 20 30 DGEDLP C=C[C@H](COC)[NH2+][C@@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC001330620664 1104595863 /nfs/dbraw/zinc/59/58/63/1104595863.db2.gz GOFHCPWGHOHRCD-ZHALLVOQSA-N 2 2 300.446 3.145 20 30 DGEDLP C=C[C@H](COC)[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC001330620664 1104595872 /nfs/dbraw/zinc/59/58/72/1104595872.db2.gz GOFHCPWGHOHRCD-ZHALLVOQSA-N 2 2 300.446 3.145 20 30 DGEDLP C[N@@H+]1CCC[C@@]2(CCC[NH+](Cc3ccc(C#N)c(F)c3)C2)C1 ZINC001275327708 1104724147 /nfs/dbraw/zinc/72/41/47/1104724147.db2.gz YCSXJOGMWVHXQX-GOSISDBHSA-N 2 2 301.409 3.005 20 30 DGEDLP C[N@H+]1CCC[C@@]2(CCC[NH+](Cc3ccc(C#N)c(F)c3)C2)C1 ZINC001275327708 1104724153 /nfs/dbraw/zinc/72/41/53/1104724153.db2.gz YCSXJOGMWVHXQX-GOSISDBHSA-N 2 2 301.409 3.005 20 30 DGEDLP C[NH+]1CCC[C@@]2(CCC[N@H+](Cc3ccc(C#N)c(F)c3)C2)C1 ZINC001275327708 1104724159 /nfs/dbraw/zinc/72/41/59/1104724159.db2.gz YCSXJOGMWVHXQX-GOSISDBHSA-N 2 2 301.409 3.005 20 30 DGEDLP C[NH+]1CCC[C@@]2(CCC[N@@H+](Cc3ccc(C#N)c(F)c3)C2)C1 ZINC001275327708 1104724163 /nfs/dbraw/zinc/72/41/63/1104724163.db2.gz YCSXJOGMWVHXQX-GOSISDBHSA-N 2 2 301.409 3.005 20 30 DGEDLP N#Cc1ccc2cc(C[NH+]3CCC(n4cc[nH+]c4)CC3)[nH]c2c1 ZINC001249429919 1105285242 /nfs/dbraw/zinc/28/52/42/1105285242.db2.gz VYPQRZWUXOBFFM-UHFFFAOYSA-N 2 2 305.385 3.073 20 30 DGEDLP CCCCCCCCCC[C@H](O)C[NH2+]CCc1[nH+]ccn1C ZINC001252988770 1105867405 /nfs/dbraw/zinc/86/74/05/1105867405.db2.gz JBXVZNSOFZXTQU-KRWDZBQOSA-N 2 2 309.498 3.444 20 30 DGEDLP C[C@H](C[NH+](C)C)[NH2+]C1CCC(C#N)(c2ccc(F)cc2)CC1 ZINC001254345454 1106057410 /nfs/dbraw/zinc/05/74/10/1106057410.db2.gz CEHXIWLNRSFAPS-RWBZWWBESA-N 2 2 303.425 3.069 20 30 DGEDLP N#C[C@@H]1CC[C@H]([NH+]2CCC([N@@H+]3CCc4ccccc4C3)CC2)C1 ZINC001254670984 1106129583 /nfs/dbraw/zinc/12/95/83/1106129583.db2.gz NJOPAYYSUWAWCI-UZLBHIALSA-N 2 2 309.457 3.201 20 30 DGEDLP N#C[C@@H]1CC[C@H]([NH+]2CCC([N@H+]3CCc4ccccc4C3)CC2)C1 ZINC001254670984 1106129585 /nfs/dbraw/zinc/12/95/85/1106129585.db2.gz NJOPAYYSUWAWCI-UZLBHIALSA-N 2 2 309.457 3.201 20 30 DGEDLP N#CC1CCC([NH2+][C@@H](Cc2ccccc2)C[NH+]2CCCC2)CC1 ZINC001256958403 1106515128 /nfs/dbraw/zinc/51/51/28/1106515128.db2.gz BVDMWAULAYYDDG-MHJFOBGBSA-N 2 2 311.473 3.365 20 30 DGEDLP Cc1cc([NH2+][C@@H]2CCC[C@H](C#N)C2)ccc1N1CC[NH+](C)CC1 ZINC001320864406 1107166754 /nfs/dbraw/zinc/16/67/54/1107166754.db2.gz HCYWBHAKSBYZBD-DLBZAZTESA-N 2 2 312.461 3.241 20 30 DGEDLP C=C(C)CC[NH2+][C@H](C)[C@@H](C)NC(=O)c1c(C)cc(C)[nH+]c1C ZINC001282177565 1109463427 /nfs/dbraw/zinc/46/34/27/1109463427.db2.gz WYKXOKVCGLUKOM-HUUCEWRRSA-N 2 2 303.450 3.069 20 30 DGEDLP C=C(C)CC[NH2+][C@H](C)[C@H](C)NC(=O)c1c(C)cc(C)[nH+]c1C ZINC001282177563 1109463480 /nfs/dbraw/zinc/46/34/80/1109463480.db2.gz WYKXOKVCGLUKOM-CABCVRRESA-N 2 2 303.450 3.069 20 30 DGEDLP N#Cc1cc(C[NH2+][C@H](Cn2cc[nH+]c2)c2ccccc2)ccc1F ZINC001308036011 1111369182 /nfs/dbraw/zinc/36/91/82/1111369182.db2.gz ZJUBCOWKUUNKCP-LJQANCHMSA-N 2 2 320.371 3.425 20 30 DGEDLP CC(C)(C)n1c[nH+]cc1[C@H]1CCC[N@H+](Cc2cc(C#N)ccn2)C1 ZINC001308164579 1111387969 /nfs/dbraw/zinc/38/79/69/1111387969.db2.gz FQZPEOINSGGJCL-INIZCTEOSA-N 2 2 323.444 3.284 20 30 DGEDLP CC(C)(C)n1c[nH+]cc1[C@H]1CCC[N@@H+](Cc2cc(C#N)ccn2)C1 ZINC001308164579 1111387971 /nfs/dbraw/zinc/38/79/71/1111387971.db2.gz FQZPEOINSGGJCL-INIZCTEOSA-N 2 2 323.444 3.284 20 30 DGEDLP CC(C)SCC[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000287002934 219264481 /nfs/dbraw/zinc/26/44/81/219264481.db2.gz KEPMOZFAEBFBMQ-UHFFFAOYSA-N 2 2 317.502 3.254 20 30 DGEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)c2ccc(OCCOC)cc2)CC1 ZINC000177907356 186201957 /nfs/dbraw/zinc/20/19/57/186201957.db2.gz PVKBZAYIARQNIV-INIZCTEOSA-N 2 2 318.461 3.013 20 30 DGEDLP C=CC[NH+]1CCC([NH2+][C@H](C)c2cc(OC)ccc2OC)CC1 ZINC000177905395 186202121 /nfs/dbraw/zinc/20/21/21/186202121.db2.gz OALHXCJNOXPVTA-CQSZACIVSA-N 2 2 304.434 3.005 20 30 DGEDLP C=CC[NH+]1CCC([NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000177907957 186202489 /nfs/dbraw/zinc/20/24/89/186202489.db2.gz WDTFIICOCOYGFD-CQSZACIVSA-N 2 2 303.406 3.204 20 30 DGEDLP C=CC[NH+]1CCC([NH2+][C@H](C)c2ccc3c(c2)OCCCO3)CC1 ZINC000177908148 186202951 /nfs/dbraw/zinc/20/29/51/186202951.db2.gz IWHGQASTBPSIQK-OAHLLOKOSA-N 2 2 316.445 3.149 20 30 DGEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2cn3cc(Cl)ccc3n2)CC1 ZINC000172119989 198042560 /nfs/dbraw/zinc/04/25/60/198042560.db2.gz WPLISWMFHKTXKO-UHFFFAOYSA-N 2 2 318.852 3.118 20 30 DGEDLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H](C)c1ccc(C#N)cc1F)CCC2 ZINC000331708089 234025326 /nfs/dbraw/zinc/02/53/26/234025326.db2.gz AYRCYOPXOPZEKU-HIFRSBDPSA-N 2 2 312.392 3.431 20 30 DGEDLP C[C@H]([NH2+]C1CC[NH+](Cc2ccncc2)CC1)c1ccc(C#N)cc1 ZINC000173964028 198274092 /nfs/dbraw/zinc/27/40/92/198274092.db2.gz YJPLFBBTYNGJMQ-INIZCTEOSA-N 2 2 320.440 3.268 20 30 DGEDLP C=CC[NH+](CC=C)[C@@H](C[NH2+][C@@H]1CCOC2(CCC2)C1)C(C)C ZINC000449074623 240005350 /nfs/dbraw/zinc/00/53/50/240005350.db2.gz LAIIDAZAQANRPR-MSOLQXFVSA-N 2 2 306.494 3.376 20 30 DGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]Cc3cccc(F)c3)CC2)cc1 ZINC000181441275 432129507 /nfs/dbraw/zinc/12/95/07/432129507.db2.gz WYGYDIVOBULQPE-UHFFFAOYSA-N 2 2 323.415 3.452 20 30 DGEDLP N#Cc1ccc(C[NH2+]CCCc2[nH]c3ccccc3[nH+]2)c(F)c1 ZINC000343880006 254199094 /nfs/dbraw/zinc/19/90/94/254199094.db2.gz AGAUCLUHYRINGV-UHFFFAOYSA-N 2 2 308.360 3.296 20 30 DGEDLP C#CC[C@@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)c1ccccc1 ZINC000271571799 209024101 /nfs/dbraw/zinc/02/41/01/209024101.db2.gz VWEVAYBHYBINKU-LJQANCHMSA-N 2 2 305.425 3.405 20 30 DGEDLP CN(CCC#N)c1ccc(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000092073132 400153937 /nfs/dbraw/zinc/15/39/37/400153937.db2.gz UOPSWPKUBFYNBH-KRWDZBQOSA-N 2 2 323.444 3.139 20 30 DGEDLP CN(CCC#N)c1ccc(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000092073132 400153940 /nfs/dbraw/zinc/15/39/40/400153940.db2.gz UOPSWPKUBFYNBH-KRWDZBQOSA-N 2 2 323.444 3.139 20 30 DGEDLP C[C@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)c1ccc(C#N)cc1 ZINC000596650380 400472042 /nfs/dbraw/zinc/47/20/42/400472042.db2.gz PRFYNIYKOBUZOM-VHKYSDTDSA-N 2 2 323.415 3.494 20 30 DGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@@H]3CCC[C@@H](F)C3)CC2)cc1 ZINC000592369278 400639573 /nfs/dbraw/zinc/63/95/73/400639573.db2.gz HXFKKLHUCFMHDR-IEBWSBKVSA-N 2 2 315.436 3.393 20 30 DGEDLP N#Cc1ccc2c(c1)CC[C@@H]2[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000618801726 400692012 /nfs/dbraw/zinc/69/20/12/400692012.db2.gz BWBISKUJTLTVAZ-IBGZPJMESA-N 2 2 318.424 3.199 20 30 DGEDLP Cc1ccc(C[NH+](C)CCC[N@@H+](C)Cc2ccco2)cc1C#N ZINC000599416017 401043391 /nfs/dbraw/zinc/04/33/91/401043391.db2.gz HJFJEEFTYXWKLN-UHFFFAOYSA-N 2 2 311.429 3.414 20 30 DGEDLP Cc1ccc(C[N@@H+](C)CCC[NH+](C)Cc2ccco2)cc1C#N ZINC000599416017 401043413 /nfs/dbraw/zinc/04/34/13/401043413.db2.gz HJFJEEFTYXWKLN-UHFFFAOYSA-N 2 2 311.429 3.414 20 30 DGEDLP Cc1ccc(C[N@H+](C)CCC[NH+](C)Cc2ccco2)cc1C#N ZINC000599416017 401043423 /nfs/dbraw/zinc/04/34/23/401043423.db2.gz HJFJEEFTYXWKLN-UHFFFAOYSA-N 2 2 311.429 3.414 20 30 DGEDLP CCC1([NH+]2CCOCC2)CC[NH+](CCCCC(C)(C)C#N)CC1 ZINC000599664125 401106734 /nfs/dbraw/zinc/10/67/34/401106734.db2.gz NZCPMOHJKGJDKR-UHFFFAOYSA-N 2 2 321.509 3.283 20 30 DGEDLP CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)[NH2+]Cc1cc(C#N)n(C)c1 ZINC000191612440 165261569 /nfs/dbraw/zinc/26/15/69/165261569.db2.gz HFLVZUSBLDWVLP-HXUWFJFHSA-N 2 2 324.472 3.143 20 30 DGEDLP CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)[NH2+]Cc1cc(C#N)n(C)c1 ZINC000191612440 165261574 /nfs/dbraw/zinc/26/15/74/165261574.db2.gz HFLVZUSBLDWVLP-HXUWFJFHSA-N 2 2 324.472 3.143 20 30 DGEDLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+][C@@H]2CCC[C@H](C#N)C2)CC1 ZINC000185868832 228399879 /nfs/dbraw/zinc/39/98/79/228399879.db2.gz VVSCGOFPAFFVTG-JTDSTZFVSA-N 2 2 312.461 3.279 20 30 DGEDLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H]1CCc3ccc(C#N)cc31)CCC2 ZINC000353255811 267533515 /nfs/dbraw/zinc/53/35/15/267533515.db2.gz OGBQKVLJYRKFAM-WMZOPIPTSA-N 2 2 306.413 3.218 20 30 DGEDLP C[N@@H+]1CCCC12CC[NH+](CC#Cc1ccc(Cl)cc1)CC2 ZINC000369956240 277042135 /nfs/dbraw/zinc/04/21/35/277042135.db2.gz AAIJKDCEAWYQMK-UHFFFAOYSA-N 2 2 302.849 3.252 20 30 DGEDLP C[N@H+]1CCCC12CC[NH+](CC#Cc1ccc(Cl)cc1)CC2 ZINC000369956240 277042137 /nfs/dbraw/zinc/04/21/37/277042137.db2.gz AAIJKDCEAWYQMK-UHFFFAOYSA-N 2 2 302.849 3.252 20 30 DGEDLP Cc1cc(C[NH2+]CCCc2[nH+]c3ccccc3n2C)ccc1C#N ZINC000443998416 533690686 /nfs/dbraw/zinc/69/06/86/533690686.db2.gz ULDCHRPQDKKWJV-UHFFFAOYSA-N 2 2 318.424 3.476 20 30 DGEDLP N#Cc1cccc(C[NH2+]C[C@H]2CCC[N@@H+]2Cc2ccccc2)c1 ZINC000114772261 431414387 /nfs/dbraw/zinc/41/43/87/431414387.db2.gz ZMSCGXJZKXEFFM-HXUWFJFHSA-N 2 2 305.425 3.312 20 30 DGEDLP N#Cc1cccc(C[NH2+]C[C@H]2CCC[N@H+]2Cc2ccccc2)c1 ZINC000114772261 431414396 /nfs/dbraw/zinc/41/43/96/431414396.db2.gz ZMSCGXJZKXEFFM-HXUWFJFHSA-N 2 2 305.425 3.312 20 30 DGEDLP C=CCC[C@@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)C1CC1 ZINC000120292057 431725225 /nfs/dbraw/zinc/72/52/25/431725225.db2.gz YZBRLRRKHUSDCZ-HXUWFJFHSA-N 2 2 314.473 3.353 20 30 DGEDLP C=CCOc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)CC)C2)cc1OC ZINC000093770382 431917571 /nfs/dbraw/zinc/91/75/71/431917571.db2.gz JMDBCMYRHRQUIC-QGZVFWFLSA-N 2 2 318.461 3.034 20 30 DGEDLP C=CCOc1ccc(C[NH+]2CC[C@H](C[N@H+](C)CC)C2)cc1OC ZINC000093770382 431917573 /nfs/dbraw/zinc/91/75/73/431917573.db2.gz JMDBCMYRHRQUIC-QGZVFWFLSA-N 2 2 318.461 3.034 20 30 DGEDLP C=CCOc1ccc(C[N@H+]2CC[C@H](C[NH+](C)CC)C2)cc1OC ZINC000093770382 431917575 /nfs/dbraw/zinc/91/75/75/431917575.db2.gz JMDBCMYRHRQUIC-QGZVFWFLSA-N 2 2 318.461 3.034 20 30 DGEDLP C=CCOc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)CC)C2)cc1OC ZINC000093770382 431917577 /nfs/dbraw/zinc/91/75/77/431917577.db2.gz JMDBCMYRHRQUIC-QGZVFWFLSA-N 2 2 318.461 3.034 20 30 DGEDLP Cc1[nH+]c2ccccc2n1CCC[NH2+]Cc1ccc(C#N)cc1 ZINC000052660110 431957369 /nfs/dbraw/zinc/95/73/69/431957369.db2.gz UZXCDOYPQOPPCV-UHFFFAOYSA-N 2 2 304.397 3.396 20 30 DGEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000152203147 432312944 /nfs/dbraw/zinc/31/29/44/432312944.db2.gz GYRCWCJHMJAVLG-UHFFFAOYSA-N 2 2 323.824 3.378 20 30 DGEDLP N#Cc1ccc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)s1 ZINC000252802474 432387802 /nfs/dbraw/zinc/38/78/02/432387802.db2.gz MPICXJGJQVEVJX-SUMWQHHRSA-N 2 2 301.459 3.068 20 30 DGEDLP N#Cc1ccc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)s1 ZINC000252802474 432387803 /nfs/dbraw/zinc/38/78/03/432387803.db2.gz MPICXJGJQVEVJX-SUMWQHHRSA-N 2 2 301.459 3.068 20 30 DGEDLP N#Cc1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)s1 ZINC000252802474 432387807 /nfs/dbraw/zinc/38/78/07/432387807.db2.gz MPICXJGJQVEVJX-SUMWQHHRSA-N 2 2 301.459 3.068 20 30 DGEDLP N#Cc1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)s1 ZINC000252802474 432387808 /nfs/dbraw/zinc/38/78/08/432387808.db2.gz MPICXJGJQVEVJX-SUMWQHHRSA-N 2 2 301.459 3.068 20 30 DGEDLP N#C[C@H]1CCC[C@@H]([NH2+]CC2([NH+]3CCSCC3)CCCCC2)C1 ZINC000185825946 432536989 /nfs/dbraw/zinc/53/69/89/432536989.db2.gz GUICCCZDOBSHTK-DLBZAZTESA-N 2 2 321.534 3.410 20 30 DGEDLP CCc1cccc(NC(=[NH2+])NC[C@H](c2cccs2)[NH+](C)C)c1 ZINC000264104319 432615752 /nfs/dbraw/zinc/61/57/52/432615752.db2.gz NISCDZBCGZEQEG-OAHLLOKOSA-N 2 2 316.474 3.340 20 30 DGEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)c2ccc(F)cc2N(C)C)CC1 ZINC000177911405 432673410 /nfs/dbraw/zinc/67/34/10/432673410.db2.gz UBFLPZTZSCAGCK-AWEZNQCLSA-N 2 2 305.441 3.193 20 30 DGEDLP N#Cc1ccccc1C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000278850459 432908061 /nfs/dbraw/zinc/90/80/61/432908061.db2.gz KFNFQRUSWBVPFE-UHFFFAOYSA-N 2 2 320.440 3.471 20 30 DGEDLP CC[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)nc1)c1ccc(C#N)cc1 ZINC000373921555 433169670 /nfs/dbraw/zinc/16/96/70/433169670.db2.gz INIDBBSTLPCDIP-SFHVURJKSA-N 2 2 317.396 3.380 20 30 DGEDLP C[N@@H+]1CCC[C@]2(CC[NH+](Cc3ccc(C#N)cc3Cl)C2)C1 ZINC000339431818 433581374 /nfs/dbraw/zinc/58/13/74/433581374.db2.gz DCCDBVMVJBIXLL-KRWDZBQOSA-N 2 2 303.837 3.129 20 30 DGEDLP C[N@H+]1CCC[C@]2(CC[NH+](Cc3ccc(C#N)cc3Cl)C2)C1 ZINC000339431818 433581381 /nfs/dbraw/zinc/58/13/81/433581381.db2.gz DCCDBVMVJBIXLL-KRWDZBQOSA-N 2 2 303.837 3.129 20 30 DGEDLP C[NH+]1CCC[C@]2(CC[N@H+](Cc3ccc(C#N)cc3Cl)C2)C1 ZINC000339431818 433581397 /nfs/dbraw/zinc/58/13/97/433581397.db2.gz DCCDBVMVJBIXLL-KRWDZBQOSA-N 2 2 303.837 3.129 20 30 DGEDLP C[NH+]1CCC[C@]2(CC[N@@H+](Cc3ccc(C#N)cc3Cl)C2)C1 ZINC000339431818 433581406 /nfs/dbraw/zinc/58/14/06/433581406.db2.gz DCCDBVMVJBIXLL-KRWDZBQOSA-N 2 2 303.837 3.129 20 30 DGEDLP C=CC[NH+]1CCC([NH2+][C@H]2CCc3cc(F)c(F)c(F)c32)CC1 ZINC000449121298 433726817 /nfs/dbraw/zinc/72/68/17/433726817.db2.gz HDHLWMVVUPYWPG-AWEZNQCLSA-N 2 2 310.363 3.331 20 30 DGEDLP C=C[C@@H]1OCCC[C@H]1[NH2+][C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000449545930 433752530 /nfs/dbraw/zinc/75/25/30/433752530.db2.gz AHHSOHINJPCRAE-OWYHZJEWSA-N 2 2 300.446 3.145 20 30 DGEDLP C=C[C@@H]1OCCC[C@H]1[NH2+][C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000449545930 433752538 /nfs/dbraw/zinc/75/25/38/433752538.db2.gz AHHSOHINJPCRAE-OWYHZJEWSA-N 2 2 300.446 3.145 20 30 DGEDLP N#C[C@@H]1CCC[C@H]([NH2+][C@H]2C[NH2+]CC[C@H]2c2ccc(F)c(F)c2)C1 ZINC000423361015 434380322 /nfs/dbraw/zinc/38/03/22/434380322.db2.gz GKQCLPGTIDUPDQ-FHIHXZLISA-N 2 2 319.399 3.082 20 30 DGEDLP C[N@@H+](CC#Cc1cccc(Cl)c1)CC[C@H]1CCCC[NH+]1C ZINC000438166586 434428103 /nfs/dbraw/zinc/42/81/03/434428103.db2.gz MGDYYIDOAPUWAL-GOSISDBHSA-N 2 2 304.865 3.498 20 30 DGEDLP C[N@H+](CC#Cc1cccc(Cl)c1)CC[C@H]1CCCC[NH+]1C ZINC000438166586 434428107 /nfs/dbraw/zinc/42/81/07/434428107.db2.gz MGDYYIDOAPUWAL-GOSISDBHSA-N 2 2 304.865 3.498 20 30 DGEDLP C[NH+](CC#Cc1cccc(Cl)c1)CC[C@H]1CCCC[N@@H+]1C ZINC000438166586 434428109 /nfs/dbraw/zinc/42/81/09/434428109.db2.gz MGDYYIDOAPUWAL-GOSISDBHSA-N 2 2 304.865 3.498 20 30 DGEDLP C[NH+](CC#Cc1cccc(Cl)c1)CC[C@H]1CCCC[N@H+]1C ZINC000438166586 434428112 /nfs/dbraw/zinc/42/81/12/434428112.db2.gz MGDYYIDOAPUWAL-GOSISDBHSA-N 2 2 304.865 3.498 20 30 DGEDLP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000368533324 434577752 /nfs/dbraw/zinc/57/77/52/434577752.db2.gz BRBIBQYONUGJCV-LMCOJAPRSA-N 2 2 314.473 3.393 20 30 DGEDLP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000368533324 434577757 /nfs/dbraw/zinc/57/77/57/434577757.db2.gz BRBIBQYONUGJCV-LMCOJAPRSA-N 2 2 314.473 3.393 20 30 DGEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)c2ccc(Br)cn2)CC1 ZINC000583599533 435243007 /nfs/dbraw/zinc/24/30/07/435243007.db2.gz JORCIUPEFBDFJQ-LBPRGKRZSA-N 2 2 324.266 3.145 20 30 DGEDLP C=CC[NH+](CC=C)[C@H](C[NH2+][C@@H]1[C@H]2CCCO[C@H]2C1(C)C)C(C)C ZINC000537297185 435437296 /nfs/dbraw/zinc/43/72/96/435437296.db2.gz OYVKIEPZDGBXNG-NCXUSEDFSA-N 2 2 320.521 3.478 20 30 DGEDLP Fc1ccc(C#CC[NH+]2CCC(Nc3cccc[nH+]3)CC2)cc1 ZINC000536371192 332233633 /nfs/dbraw/zinc/23/36/33/332233633.db2.gz NQJIYTSWMIGGTJ-UHFFFAOYSA-N 2 2 309.388 3.149 20 30 DGEDLP C=CCOc1ccc(C[NH+]2CCN(c3cc(C)cc[nH+]3)CC2)cc1 ZINC000510505805 340301262 /nfs/dbraw/zinc/30/12/62/340301262.db2.gz JMQHIJBHYQXIGH-UHFFFAOYSA-N 2 2 323.440 3.277 20 30 DGEDLP Cc1ccc(CCC[NH+]2CCC(C#N)(c3ccccn3)CC2)c[nH+]1 ZINC000548859821 341278547 /nfs/dbraw/zinc/27/85/47/341278547.db2.gz OTBYWBFHENGVGB-UHFFFAOYSA-N 2 2 320.440 3.275 20 30 DGEDLP N#CC1(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccccc2)C3)CC1 ZINC000343315712 534550050 /nfs/dbraw/zinc/55/00/50/534550050.db2.gz QTBXKVYCLYDUBR-FQEVSTJZSA-N 2 2 309.457 3.278 20 30 DGEDLP N#CC1(C[N@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccccc2)C3)CC1 ZINC000343315712 534550057 /nfs/dbraw/zinc/55/00/57/534550057.db2.gz QTBXKVYCLYDUBR-FQEVSTJZSA-N 2 2 309.457 3.278 20 30 DGEDLP N#CC1(C[NH+]2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)CC1 ZINC000343315712 534550062 /nfs/dbraw/zinc/55/00/62/534550062.db2.gz QTBXKVYCLYDUBR-FQEVSTJZSA-N 2 2 309.457 3.278 20 30 DGEDLP N#CC1(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)CC1 ZINC000343315712 534550067 /nfs/dbraw/zinc/55/00/67/534550067.db2.gz QTBXKVYCLYDUBR-FQEVSTJZSA-N 2 2 309.457 3.278 20 30 DGEDLP N#CCCCOc1cccc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)c1 ZINC000352855758 534615002 /nfs/dbraw/zinc/61/50/02/534615002.db2.gz ZMUXBKLYSGVCPN-UHFFFAOYSA-N 2 2 324.428 3.472 20 30 DGEDLP C=CCOc1ccc(C[N@H+]2CCC[C@@H](C[NH2+]C)C2)cc1Cl ZINC000470012526 534882715 /nfs/dbraw/zinc/88/27/15/534882715.db2.gz IQMATTJSPORTFX-HNNXBMFYSA-N 2 2 308.853 3.336 20 30 DGEDLP C=CCOc1ccc(C[N@@H+]2CCC[C@@H](C[NH2+]C)C2)cc1Cl ZINC000470012526 534882716 /nfs/dbraw/zinc/88/27/16/534882716.db2.gz IQMATTJSPORTFX-HNNXBMFYSA-N 2 2 308.853 3.336 20 30 DGEDLP C=CC[NH+]1CCC([NH2+][C@H]2CCC[C@H](CCCC(=O)OC)C2)CC1 ZINC000339242694 526454276 /nfs/dbraw/zinc/45/42/76/526454276.db2.gz PRHAXTYQOOEKFV-AEFFLSMTSA-N 2 2 322.493 3.129 20 30 DGEDLP C=CC[NH+]1CCC([NH2+][C@H](c2ccccc2)c2ccccn2)CC1 ZINC000180489042 526455001 /nfs/dbraw/zinc/45/50/01/526455001.db2.gz NQVHHWCJOXTJMM-HXUWFJFHSA-N 2 2 307.441 3.411 20 30 DGEDLP C=CCOc1ccc(C[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)cc1Cl ZINC000430115515 526870939 /nfs/dbraw/zinc/87/09/39/526870939.db2.gz GQJSUVZGLDHSHY-GOSISDBHSA-N 2 2 320.864 3.432 20 30 DGEDLP C=CCOc1ccc(C[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)cc1Cl ZINC000430115515 526870944 /nfs/dbraw/zinc/87/09/44/526870944.db2.gz GQJSUVZGLDHSHY-GOSISDBHSA-N 2 2 320.864 3.432 20 30 DGEDLP C=CCOc1ccc(C[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)cc1Cl ZINC000430115515 526870949 /nfs/dbraw/zinc/87/09/49/526870949.db2.gz GQJSUVZGLDHSHY-GOSISDBHSA-N 2 2 320.864 3.432 20 30 DGEDLP C=CCOc1ccc(C[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)cc1Cl ZINC000430115515 526870954 /nfs/dbraw/zinc/87/09/54/526870954.db2.gz GQJSUVZGLDHSHY-GOSISDBHSA-N 2 2 320.864 3.432 20 30 DGEDLP C=CC[C@H](C)[C@@H](C)[NH2+][C@]1(CO)CCC[N@H+](Cc2ccccc2)C1 ZINC000679044846 548822455 /nfs/dbraw/zinc/82/24/55/548822455.db2.gz REYNMIKYWGOUKX-NLWGTHIKSA-N 2 2 316.489 3.204 20 30 DGEDLP C=CC[C@H](C)[C@@H](C)[NH2+][C@]1(CO)CCC[N@@H+](Cc2ccccc2)C1 ZINC000679044846 548822458 /nfs/dbraw/zinc/82/24/58/548822458.db2.gz REYNMIKYWGOUKX-NLWGTHIKSA-N 2 2 316.489 3.204 20 30 DGEDLP Oc1cccc(/C=[NH+]\C2CCC([NH+]3CCCCC3)CC2)c1O ZINC000750817998 575753535 /nfs/dbraw/zinc/75/35/35/575753535.db2.gz LVRNWRUVQNRQDG-UYRXBGFRSA-N 2 2 302.418 3.314 20 30 DGEDLP C[C@H](CCC#N)C[NH2+]c1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000895646728 618809911 /nfs/dbraw/zinc/80/99/11/618809911.db2.gz IUJSBBVTPFNAPP-VQIMIIECSA-N 2 2 312.461 3.323 20 30 DGEDLP C[C@H](CCC#N)C[NH2+]c1ccc(N2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000895646728 618809912 /nfs/dbraw/zinc/80/99/12/618809912.db2.gz IUJSBBVTPFNAPP-VQIMIIECSA-N 2 2 312.461 3.323 20 30 DGEDLP CC[C@H]([NH2+]C1CC[NH+](C(C)C)CC1)c1cccc(C#N)c1O ZINC000925303136 619156630 /nfs/dbraw/zinc/15/66/30/619156630.db2.gz LPYXKXDXVANGRL-KRWDZBQOSA-N 2 2 301.434 3.177 20 30 DGEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)c2ccc(C(=O)OC)cc2C)CC1 ZINC000902796077 619678110 /nfs/dbraw/zinc/67/81/10/619678110.db2.gz MMUMXPSAFSKAFC-HNNXBMFYSA-N 2 2 316.445 3.083 20 30 DGEDLP C[C@H](C#N)Oc1ccc(C[NH2+]C[C@H]2CC[N@@H+]2C2CCCC2)cc1 ZINC000858285387 621172069 /nfs/dbraw/zinc/17/20/69/621172069.db2.gz LAMKTKBVFJYHHF-CRAIPNDOSA-N 2 2 313.445 3.084 20 30 DGEDLP C[C@H](C#N)Oc1ccc(C[NH2+]C[C@H]2CC[N@H+]2C2CCCC2)cc1 ZINC000858285387 621172070 /nfs/dbraw/zinc/17/20/70/621172070.db2.gz LAMKTKBVFJYHHF-CRAIPNDOSA-N 2 2 313.445 3.084 20 30 DGEDLP C[NH+](C)Cc1ccc(C[N@H+](C)Cc2cccc(F)c2C#N)cc1 ZINC000859212165 621261410 /nfs/dbraw/zinc/26/14/10/621261410.db2.gz GZRHEAMMQCAELD-UHFFFAOYSA-N 2 2 311.404 3.391 20 30 DGEDLP C[NH+](C)Cc1ccc(C[N@@H+](C)Cc2cccc(F)c2C#N)cc1 ZINC000859212165 621261413 /nfs/dbraw/zinc/26/14/13/621261413.db2.gz GZRHEAMMQCAELD-UHFFFAOYSA-N 2 2 311.404 3.391 20 30 DGEDLP C[C@@H](C#N)Oc1ccc(C[NH2+]CCCCNc2cccc[nH+]2)cc1 ZINC000119035538 621608884 /nfs/dbraw/zinc/60/88/84/621608884.db2.gz BTQZODUTPDTBMN-INIZCTEOSA-N 2 2 324.428 3.354 20 30 DGEDLP C[C@H]([NH2+]C1CC[NH+](C2CCCC2)CC1)c1cccc(C#N)c1O ZINC000866279474 622083845 /nfs/dbraw/zinc/08/38/45/622083845.db2.gz UYXWZIGQBBRBSS-AWEZNQCLSA-N 2 2 313.445 3.321 20 30 DGEDLP C[C@@H]([NH2+]CC[C@H](C)[NH+]1CCCCC1)c1cccc(C#N)c1O ZINC000866338397 622097486 /nfs/dbraw/zinc/09/74/86/622097486.db2.gz RBXOQAOFWULWOX-LSDHHAIUSA-N 2 2 301.434 3.179 20 30 DGEDLP C#CC[N@@H+](C)CCC[NH2+][C@H](C)c1cc2c(ccnc2Cl)o1 ZINC000866364160 622103600 /nfs/dbraw/zinc/10/36/00/622103600.db2.gz PRWOWDDMMMZVQQ-GFCCVEGCSA-N 2 2 305.809 3.087 20 30 DGEDLP C#CC[N@H+](C)CCC[NH2+][C@H](C)c1cc2c(ccnc2Cl)o1 ZINC000866364160 622103603 /nfs/dbraw/zinc/10/36/03/622103603.db2.gz PRWOWDDMMMZVQQ-GFCCVEGCSA-N 2 2 305.809 3.087 20 30 DGEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)CCc2ccc(OC)cc2)CC1 ZINC000765832999 622290407 /nfs/dbraw/zinc/29/04/07/622290407.db2.gz KFRHCHAMQRHODJ-INIZCTEOSA-N 2 2 302.462 3.256 20 30 DGEDLP C#C[C@H]1CC[C@H]([NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)CC1 ZINC000872139208 622830433 /nfs/dbraw/zinc/83/04/33/622830433.db2.gz AEMLDBVEOBTVEY-IRJFHVNHSA-N 2 2 321.468 3.304 20 30 DGEDLP C#C[C@H]1CC[C@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)CC1 ZINC000872140681 622831878 /nfs/dbraw/zinc/83/18/78/622831878.db2.gz VTVROMCVHCLBER-MLYOOKFZSA-N 2 2 311.473 3.074 20 30 DGEDLP C#C[C@H]1CC[C@H]([NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)CC1 ZINC000872140681 622831884 /nfs/dbraw/zinc/83/18/84/622831884.db2.gz VTVROMCVHCLBER-MLYOOKFZSA-N 2 2 311.473 3.074 20 30 DGEDLP C#C[C@H]1CC[C@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)CC1 ZINC000872140680 622832235 /nfs/dbraw/zinc/83/22/35/622832235.db2.gz VTVROMCVHCLBER-JPLJXNOCSA-N 2 2 311.473 3.074 20 30 DGEDLP C#C[C@H]1CC[C@H]([NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)CC1 ZINC000872140680 622832238 /nfs/dbraw/zinc/83/22/38/622832238.db2.gz VTVROMCVHCLBER-JPLJXNOCSA-N 2 2 311.473 3.074 20 30 DGEDLP C=CC[NH+]1CCC([NH2+]Cc2cc3c(ccnc3Cl)o2)CC1 ZINC000877009728 623765186 /nfs/dbraw/zinc/76/51/86/623765186.db2.gz XXVDXUHCBMKDBU-UHFFFAOYSA-N 2 2 305.809 3.221 20 30 DGEDLP C#CCCCCCC[NH+]1CCC(CC)([NH+]2CCOCC2)CC1 ZINC000877658028 623981203 /nfs/dbraw/zinc/98/12/03/623981203.db2.gz MBMRDTJFKJNUIR-UHFFFAOYSA-N 2 2 306.494 3.147 20 30 DGEDLP CC[C@H](CC#N)[NH2+]Cc1cc(C#N)cc(C[NH2+][C@@H](CC)CC#N)c1 ZINC000878698136 624342441 /nfs/dbraw/zinc/34/24/41/624342441.db2.gz BILNUSOOMIKEMT-KDURUIRLSA-N 2 2 323.444 3.122 20 30 DGEDLP N#C[C@@H]1CCC[C@H]([NH2+]c2ccc(N3CC[N@@H+]4CCC[C@H]4C3)cc2)C1 ZINC000883347656 626656014 /nfs/dbraw/zinc/65/60/14/626656014.db2.gz WPRUTORXBYJTCQ-KPFFTGBYSA-N 2 2 324.472 3.465 20 30 DGEDLP N#C[C@@H]1CCC[C@H]([NH2+]c2ccc(N3CC[N@H+]4CCC[C@H]4C3)cc2)C1 ZINC000883347656 626656016 /nfs/dbraw/zinc/65/60/16/626656016.db2.gz WPRUTORXBYJTCQ-KPFFTGBYSA-N 2 2 324.472 3.465 20 30 DGEDLP CCOc1ccc(/C=[NH+]\CC2(SC)CC[NH+](C)CC2)c(O)c1 ZINC000811625442 627296803 /nfs/dbraw/zinc/29/68/03/627296803.db2.gz MSCHRBJSPOHEFJ-PDGQHHTCSA-N 2 2 322.474 3.037 20 30 DGEDLP CC[C@@H]([NH2+]C1CC[NH+](CC2CC2)CC1)c1cccc(C#N)c1O ZINC000924710709 627671258 /nfs/dbraw/zinc/67/12/58/627671258.db2.gz BIZJXXVSTPEYNZ-GOSISDBHSA-N 2 2 313.445 3.179 20 30 DGEDLP C=CC[NH+]1CCC([NH2+][C@H](C)c2ccc(C(C)(C)O)cc2)CC1 ZINC000924983123 627699222 /nfs/dbraw/zinc/69/92/22/627699222.db2.gz BNUDSWLPLWRLBI-OAHLLOKOSA-N 2 2 302.462 3.215 20 30 DGEDLP C=C(C)C[NH+]1CCC([NH2+][C@H]2CCc3c2nccc3Cl)CC1 ZINC000924989277 627699496 /nfs/dbraw/zinc/69/94/96/627699496.db2.gz UEBKOKGJRJQWRW-INIZCTEOSA-N 2 2 305.853 3.352 20 30 DGEDLP CN1c2ccccc2C(C)(C)C1=CC=[NH+]NCCCn1cc[nH+]c1 ZINC000848420208 631659409 /nfs/dbraw/zinc/65/94/09/631659409.db2.gz SLMUYWDBAOJHNI-PSFZQZBJSA-N 2 2 323.444 3.160 20 30 DGEDLP C[NH+](C)Cc1cnc(C[NH2+]C(C)(C)c2cccc(C#N)c2)s1 ZINC000850355795 632123506 /nfs/dbraw/zinc/12/35/06/632123506.db2.gz LMHCHCXJKUPTQY-UHFFFAOYSA-N 2 2 314.458 3.101 20 30 DGEDLP C[N@H+](Cc1cncc(C#N)c1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000721581255 655855810 /nfs/dbraw/zinc/85/58/10/655855810.db2.gz NHZJJRNJXFCABL-UHFFFAOYSA-N 2 2 320.440 3.050 20 30 DGEDLP C[N@@H+](Cc1cncc(C#N)c1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000721581255 655855812 /nfs/dbraw/zinc/85/58/12/655855812.db2.gz NHZJJRNJXFCABL-UHFFFAOYSA-N 2 2 320.440 3.050 20 30 DGEDLP CCc1ccc(NC(=[NH2+])NCCCCNc2cccc[nH+]2)cc1 ZINC000303988916 657585837 /nfs/dbraw/zinc/58/58/37/657585837.db2.gz WYOYPSNZTXRVLN-UHFFFAOYSA-N 2 2 311.433 3.263 20 30 DGEDLP C=CCC[C@H](C)[NH2+]C1(CNC(=O)c2c(C)cc(C)[nH+]c2C)CC1 ZINC001670824787 1177207818 /nfs/dbraw/zinc/20/78/18/1177207818.db2.gz OXEAMBNUWFUILU-AWEZNQCLSA-N 2 2 315.461 3.214 20 30 DGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]CCCC(F)F)CC2)cc1 ZINC001350636950 1180098824 /nfs/dbraw/zinc/09/88/24/1180098824.db2.gz VFCWQTMHGWIWPG-UHFFFAOYSA-N 2 2 307.388 3.158 20 30 DGEDLP C=C(C)CC[NH2+]C1CC(CNC(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001100522359 1180759060 /nfs/dbraw/zinc/75/90/60/1180759060.db2.gz JGNGTCPEABJJPB-UHFFFAOYSA-N 2 2 315.461 3.071 20 30 DGEDLP CCCCCCCC(=O)Nc1cc(N2CC[NH+](C)CC2)cc[nH+]1 ZINC001471048690 1183533710 /nfs/dbraw/zinc/53/37/10/1183533710.db2.gz SJJCBKBHOJUSHH-UHFFFAOYSA-N 2 2 318.465 3.132 20 30 DGEDLP C=CCCC[NH2+][C@H](C)CCNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001480781126 1184606165 /nfs/dbraw/zinc/60/61/65/1184606165.db2.gz MRMDXVQEMRYTHZ-CQSZACIVSA-N 2 2 303.450 3.071 20 30 DGEDLP CC1(C)[C@H]([NH2+]CC#Cc2ccccc2Cl)[C@@H]2CCC[NH2+][C@@H]21 ZINC001576379989 1191576142 /nfs/dbraw/zinc/57/61/42/1191576142.db2.gz FFUBRQLSQUQNGW-UAGQMJEPSA-N 2 2 302.849 3.058 20 30 DGEDLP CC1(C)C[N@H+](Cc2ccc(-c3ccccc3C#N)cc2)C[C@H]1[NH3+] ZINC001576458022 1191810966 /nfs/dbraw/zinc/81/09/66/1191810966.db2.gz UVZLOSVDFYQXLB-LJQANCHMSA-N 2 2 305.425 3.394 20 30 DGEDLP CC1(C)C[N@@H+](Cc2ccc(-c3ccccc3C#N)cc2)C[C@H]1[NH3+] ZINC001576458022 1191811178 /nfs/dbraw/zinc/81/11/78/1191811178.db2.gz UVZLOSVDFYQXLB-LJQANCHMSA-N 2 2 305.425 3.394 20 30 DGEDLP C=CCC[C@H](O)C[N@H+]1CCC[C@@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001620680661 1193790801 /nfs/dbraw/zinc/79/08/01/1193790801.db2.gz MDTATCIWTJXAMS-CVEARBPZSA-N 2 2 305.466 3.145 20 30 DGEDLP C=CCC[C@H](O)C[N@@H+]1CCC[C@@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001620680661 1193790803 /nfs/dbraw/zinc/79/08/03/1193790803.db2.gz MDTATCIWTJXAMS-CVEARBPZSA-N 2 2 305.466 3.145 20 30 DGEDLP C=CC[NH+](CC=C)[C@H](C[NH2+][C@@H]1CCO[C@H](C(C)C)C1)C(C)C ZINC001655261487 1195897431 /nfs/dbraw/zinc/89/74/31/1195897431.db2.gz JRCMXTZJQUNWPN-QRVBRYPASA-N 2 2 308.510 3.478 20 30 DGEDLP C=CCOCCC[NH2+][C@H]1CC[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001659674861 1196405193 /nfs/dbraw/zinc/40/51/93/1196405193.db2.gz XOVJNWMOFYCKAE-MJGOQNOKSA-N 2 2 302.462 3.222 20 30 DGEDLP C=CCOCCC[NH2+][C@H]1CC[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC001659674861 1196405197 /nfs/dbraw/zinc/40/51/97/1196405197.db2.gz XOVJNWMOFYCKAE-MJGOQNOKSA-N 2 2 302.462 3.222 20 30 DGEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1ccc(-c2ccccc2)cc1OC ZINC001662547534 1196729712 /nfs/dbraw/zinc/72/97/12/1196729712.db2.gz HPMVEROHNYBQBI-UHFFFAOYSA-N 2 2 322.452 3.407 20 30 DGEDLP C#CC[N@H+](C)CCC[NH2+]Cc1ccc(-c2ccccc2)cc1OC ZINC001662547534 1196729715 /nfs/dbraw/zinc/72/97/15/1196729715.db2.gz HPMVEROHNYBQBI-UHFFFAOYSA-N 2 2 322.452 3.407 20 30 DGEDLP C=CCC[C@H](C)[NH2+][C@@H](CC)CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001665810132 1197200522 /nfs/dbraw/zinc/20/05/22/1197200522.db2.gz OYKDVIFESWMIHJ-ZFWWWQNUSA-N 2 2 314.433 3.016 20 30 DGEDLP C=C(C)C[NH2+]C[C@]1(C)CCN(C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001671764264 1197568142 /nfs/dbraw/zinc/56/81/42/1197568142.db2.gz YRNSKTWJVFVEQZ-IBGZPJMESA-N 2 2 315.461 3.025 20 30 DGEDLP Cc1ccc(NC(=[NH2+])NCc2ccc(-n3cc[nH+]c3)c(F)c2)cc1 ZINC000104178794 1199516291 /nfs/dbraw/zinc/51/62/91/1199516291.db2.gz VAAOKDFTJLRPHU-UHFFFAOYSA-N 2 2 323.375 3.247 20 30 DGEDLP C=C(C)CC[NH2+][C@H](C)CN(C)C(=O)c1c(C)cc(C)[nH+]c1C ZINC001755596464 1200977364 /nfs/dbraw/zinc/97/73/64/1200977364.db2.gz ILYMBKBYXOFEJF-OAHLLOKOSA-N 2 2 303.450 3.023 20 30 DGEDLP C=CCC[C@H](C)[NH2+]C[C@@H](C)NC(=O)c1c(C)cc(C)[nH+]c1C ZINC001699372330 1201816710 /nfs/dbraw/zinc/81/67/10/1201816710.db2.gz RUJGINJXNFWERH-DZGCQCFKSA-N 2 2 303.450 3.069 20 30 DGEDLP C=CCC[NH2+]C[C@H](NC(=O)c1c(C)cc(C)[nH+]c1C)C(C)(C)C ZINC001700992224 1202377690 /nfs/dbraw/zinc/37/76/90/1202377690.db2.gz ZIZTZLBITIVGEN-INIZCTEOSA-N 2 2 317.477 3.317 20 30 DGEDLP C=CCC[NH2+][C@@H]1CCC[C@H](NC(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001714402032 1202913278 /nfs/dbraw/zinc/91/32/78/1202913278.db2.gz AUGNXBXMCNHUNS-SJORKVTESA-N 2 2 315.461 3.214 20 30 DGEDLP C=CCC[NH2+][C@@H]1CCC[C@@H](NC(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001714402030 1202913646 /nfs/dbraw/zinc/91/36/46/1202913646.db2.gz AUGNXBXMCNHUNS-IAGOWNOFSA-N 2 2 315.461 3.214 20 30 DGEDLP C=CCC[C@H](C)[NH2+]C/C=C\CNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001716323882 1203459191 /nfs/dbraw/zinc/45/91/91/1203459191.db2.gz VTXSUWBKOXJDSK-CDNLZTBQSA-N 2 2 315.461 3.237 20 30 DGEDLP C=CCCC[NH2+]C[C@@H](NC(=O)c1c(C)cc(C)[nH+]c1C)C1CC1 ZINC001716616516 1203506760 /nfs/dbraw/zinc/50/67/60/1203506760.db2.gz PDWGNYUWMKKFDA-QGZVFWFLSA-N 2 2 315.461 3.071 20 30 DGEDLP Cc1ccccc1NC(=[NH2+])NC[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC000170913280 1203839451 /nfs/dbraw/zinc/83/94/51/1203839451.db2.gz URSPILRYGKLCPY-KRWDZBQOSA-N 2 2 314.408 3.164 20 30 DGEDLP C=C(C)CC[N@@H+](C)C[C@H](C)NC(=O)c1c(C)cc(C)[nH+]c1C ZINC001733047219 1204999376 /nfs/dbraw/zinc/99/93/76/1204999376.db2.gz UCIKETSYAZWMKU-HNNXBMFYSA-N 2 2 303.450 3.023 20 30 DGEDLP C=C(C)CC[N@H+](C)C[C@H](C)NC(=O)c1c(C)cc(C)[nH+]c1C ZINC001733047219 1204999377 /nfs/dbraw/zinc/99/93/77/1204999377.db2.gz UCIKETSYAZWMKU-HNNXBMFYSA-N 2 2 303.450 3.023 20 30 DGEDLP N#CC12CCC(Nc3cccc(C[N@H+]4CC[C@@H]([NH3+])C4)c3)(CC1)CC2 ZINC001169749784 1081642397 /nfs/dbraw/zinc/64/23/97/1081642397.db2.gz BULCEAIPFXOXKR-QHGAOEGBSA-N 2 2 324.472 3.248 20 30 DGEDLP N#CC12CCC(Nc3cccc(C[N@@H+]4CC[C@@H]([NH3+])C4)c3)(CC1)CC2 ZINC001169749784 1081642400 /nfs/dbraw/zinc/64/24/00/1081642400.db2.gz BULCEAIPFXOXKR-QHGAOEGBSA-N 2 2 324.472 3.248 20 30 DGEDLP C=CCC[N@H+]1CC[C@H](CCNC(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001481441488 1083920439 /nfs/dbraw/zinc/92/04/39/1083920439.db2.gz IWQVRNIEMYHKEL-KRWDZBQOSA-N 2 2 315.461 3.025 20 30 DGEDLP C=CCC[N@@H+]1CC[C@H](CCNC(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001481441488 1083920457 /nfs/dbraw/zinc/92/04/57/1083920457.db2.gz IWQVRNIEMYHKEL-KRWDZBQOSA-N 2 2 315.461 3.025 20 30 DGEDLP C[N@H+](Cc1ccc(Br)c(C#N)c1)[C@@H]1CCCC[C@H]1[NH3+] ZINC001236213044 1088708580 /nfs/dbraw/zinc/70/85/80/1088708580.db2.gz AUTWBWYKYPNUQD-HUUCEWRRSA-N 2 2 322.250 3.022 20 30 DGEDLP C[N@@H+](Cc1ccc(Br)c(C#N)c1)[C@@H]1CCCC[C@H]1[NH3+] ZINC001236213044 1088708596 /nfs/dbraw/zinc/70/85/96/1088708596.db2.gz AUTWBWYKYPNUQD-HUUCEWRRSA-N 2 2 322.250 3.022 20 30 DGEDLP CC(=O)C=C(C)Nc1ccc2c(c1)[nH+]cn2[C@H]1CCC[NH2+]CC1 ZINC001163738142 1090245875 /nfs/dbraw/zinc/24/58/75/1090245875.db2.gz RBLGUDGPVQNISV-DDKJEQMHSA-N 2 2 312.417 3.256 20 30 DGEDLP N#Cc1cccc(C[NH+]2C[C@H]3C[NH+](Cc4cccs4)C[C@@H]3C2)c1 ZINC001203757666 1090797446 /nfs/dbraw/zinc/79/74/46/1090797446.db2.gz NEAXQPMSWCBXLA-ROUUACIJSA-N 2 2 323.465 3.184 20 30 DGEDLP C=CCc1cccc(C[N@@H+](C(C)C)C2CC[NH+](C)CC2)c1O ZINC001138631171 1091262523 /nfs/dbraw/zinc/26/25/23/1091262523.db2.gz MJWQGBBUYWEDCA-UHFFFAOYSA-N 2 2 302.462 3.425 20 30 DGEDLP C=CCc1cccc(C[N@H+](C(C)C)C2CC[NH+](C)CC2)c1O ZINC001138631171 1091262529 /nfs/dbraw/zinc/26/25/29/1091262529.db2.gz MJWQGBBUYWEDCA-UHFFFAOYSA-N 2 2 302.462 3.425 20 30 DGEDLP C=C(C[NH+]1CCCC1)c1nc(-c2ccccc2-n2cc[nH+]c2)no1 ZINC001206094738 1091491017 /nfs/dbraw/zinc/49/10/17/1091491017.db2.gz VTIWGPJCRJMQJT-UHFFFAOYSA-N 2 2 321.384 3.031 20 30 DGEDLP Cc1c[nH+]ccc1O[C@H]1CC[N@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC001139531061 1091588176 /nfs/dbraw/zinc/58/81/76/1091588176.db2.gz JYRIQJAOQXIHSC-INIZCTEOSA-N 2 2 311.360 3.054 20 30 DGEDLP Cc1c[nH+]ccc1O[C@H]1CC[N@@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC001139531061 1091588181 /nfs/dbraw/zinc/58/81/81/1091588181.db2.gz JYRIQJAOQXIHSC-INIZCTEOSA-N 2 2 311.360 3.054 20 30 DGEDLP Cc1c[nH+]ccc1O[C@@H]1CC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC001139650840 1091636606 /nfs/dbraw/zinc/63/66/06/1091636606.db2.gz YWWOTVXSNDRHJU-MRXNPFEDSA-N 2 2 311.360 3.054 20 30 DGEDLP Cc1c[nH+]ccc1O[C@@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC001139650840 1091636610 /nfs/dbraw/zinc/63/66/10/1091636610.db2.gz YWWOTVXSNDRHJU-MRXNPFEDSA-N 2 2 311.360 3.054 20 30 DGEDLP N#Cc1ccc2[nH]cc(C[NH+]3CCC([NH+]4CCCC4)CC3)c2c1 ZINC001140110186 1091771596 /nfs/dbraw/zinc/77/15/96/1091771596.db2.gz CGEUAYDQQASZOL-UHFFFAOYSA-N 2 2 308.429 3.100 20 30 DGEDLP C=CCCCCC[N@H+]1CCn2cc(C[NH+]3CCCC3)nc2C1 ZINC001209423498 1092769318 /nfs/dbraw/zinc/76/93/18/1092769318.db2.gz VSKGTHXHIIADGI-UHFFFAOYSA-N 2 2 302.466 3.041 20 30 DGEDLP C=C(C)CC[NH2+][C@@H]1CN(C(=O)c2c(C)cc(C)[nH+]c2C)C[C@H]1C ZINC001215190153 1093936336 /nfs/dbraw/zinc/93/63/36/1093936336.db2.gz PCUFBMSJUQDOEO-RHSMWYFYSA-N 2 2 315.461 3.023 20 30 DGEDLP Cc1cccc(NC[C@@H]2CCC[N@@H+]2CC#Cc2ccc(F)cc2)[nH+]1 ZINC001116346709 1095520860 /nfs/dbraw/zinc/52/08/60/1095520860.db2.gz YFZMFQUPYOJSOH-IBGZPJMESA-N 2 2 323.415 3.457 20 30 DGEDLP Cc1cccc(NC[C@@H]2CCC[N@H+]2CC#Cc2ccc(F)cc2)[nH+]1 ZINC001116346709 1095520869 /nfs/dbraw/zinc/52/08/69/1095520869.db2.gz YFZMFQUPYOJSOH-IBGZPJMESA-N 2 2 323.415 3.457 20 30 DGEDLP Cc1c[nH+]ccc1O[C@@H]1CC[N@@H+]([C@@H](C)Cc2ccc(C#N)cc2)C1 ZINC001172311219 1097096896 /nfs/dbraw/zinc/09/68/96/1097096896.db2.gz AFUIIOKDJDWKHM-QFBILLFUSA-N 2 2 321.424 3.346 20 30 DGEDLP Cc1c[nH+]ccc1O[C@@H]1CC[N@H+]([C@@H](C)Cc2ccc(C#N)cc2)C1 ZINC001172311219 1097096902 /nfs/dbraw/zinc/09/69/02/1097096902.db2.gz AFUIIOKDJDWKHM-QFBILLFUSA-N 2 2 321.424 3.346 20 30 DGEDLP C[C@H]1C[C@H]([NH2+]Cc2cncc(C#N)c2)CC[N@@H+]1Cc1ccccc1 ZINC000721557448 1097524122 /nfs/dbraw/zinc/52/41/22/1097524122.db2.gz BCBOKNGJCXDXNY-OXJNMPFZSA-N 2 2 320.440 3.096 20 30 DGEDLP C[C@H]1C[C@H]([NH2+]Cc2cncc(C#N)c2)CC[N@H+]1Cc1ccccc1 ZINC000721557448 1097524128 /nfs/dbraw/zinc/52/41/28/1097524128.db2.gz BCBOKNGJCXDXNY-OXJNMPFZSA-N 2 2 320.440 3.096 20 30 DGEDLP C[N@@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1Cc1ccc(C#N)cc1O ZINC001233386630 1098311157 /nfs/dbraw/zinc/31/11/57/1098311157.db2.gz BMXRQZCRDGKVOL-ROUUACIJSA-N 2 2 313.445 3.103 20 30 DGEDLP C[N@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1Cc1ccc(C#N)cc1O ZINC001233386630 1098311164 /nfs/dbraw/zinc/31/11/64/1098311164.db2.gz BMXRQZCRDGKVOL-ROUUACIJSA-N 2 2 313.445 3.103 20 30 DGEDLP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1Cc1ccc(C#N)cc1O ZINC001233386630 1098311172 /nfs/dbraw/zinc/31/11/72/1098311172.db2.gz BMXRQZCRDGKVOL-ROUUACIJSA-N 2 2 313.445 3.103 20 30 DGEDLP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@H+]1Cc1ccc(C#N)cc1O ZINC001233386630 1098311180 /nfs/dbraw/zinc/31/11/80/1098311180.db2.gz BMXRQZCRDGKVOL-ROUUACIJSA-N 2 2 313.445 3.103 20 30 DGEDLP COc1cc(C[N@@H+]2CCC[C@@H](CC#N)C2)ccc1-n1cc[nH+]c1 ZINC001234066826 1098489226 /nfs/dbraw/zinc/48/92/26/1098489226.db2.gz QAKKCZFOOJDKBA-HNNXBMFYSA-N 2 2 310.401 3.007 20 30 DGEDLP COc1cc(C[N@H+]2CCC[C@@H](CC#N)C2)ccc1-n1cc[nH+]c1 ZINC001234066826 1098489229 /nfs/dbraw/zinc/48/92/29/1098489229.db2.gz QAKKCZFOOJDKBA-HNNXBMFYSA-N 2 2 310.401 3.007 20 30 DGEDLP C=CCC[C@@H](C)[NH2+][C@@H](C)CN(C)C(=O)c1c(C)cc(C)[nH+]c1C ZINC001277893701 1098667279 /nfs/dbraw/zinc/66/72/79/1098667279.db2.gz PQLIABNRXCDRIK-ZBFHGGJFSA-N 2 2 317.477 3.412 20 30 DGEDLP N#Cc1ccc(Oc2ccc(C[N@@H+]3CCC4(C[NH2+]C4)C3)cc2)cc1 ZINC001235025294 1098757564 /nfs/dbraw/zinc/75/75/64/1098757564.db2.gz YVVZWULQQNUBSO-UHFFFAOYSA-N 2 2 319.408 3.146 20 30 DGEDLP N#Cc1ccc(Oc2ccc(C[N@H+]3CCC4(C[NH2+]C4)C3)cc2)cc1 ZINC001235025294 1098757571 /nfs/dbraw/zinc/75/75/71/1098757571.db2.gz YVVZWULQQNUBSO-UHFFFAOYSA-N 2 2 319.408 3.146 20 30 DGEDLP CC[N@H+](Cc1ccc(-c2cc(C#N)ccn2)cc1)[C@H]1CCC[NH2+]C1 ZINC001236006365 1099327048 /nfs/dbraw/zinc/32/70/48/1099327048.db2.gz HMJUUANELYHCCB-IBGZPJMESA-N 2 2 320.440 3.194 20 30 DGEDLP CC[N@@H+](Cc1ccc(-c2cc(C#N)ccn2)cc1)[C@H]1CCC[NH2+]C1 ZINC001236006365 1099327060 /nfs/dbraw/zinc/32/70/60/1099327060.db2.gz HMJUUANELYHCCB-IBGZPJMESA-N 2 2 320.440 3.194 20 30 DGEDLP N#Cc1ccc(CC[N@H+](Cc2ccccc2)[C@H]2CCC[NH2+]C2)cc1 ZINC001236268785 1099509566 /nfs/dbraw/zinc/50/95/66/1099509566.db2.gz GQUGRZATOFFUHM-NRFANRHFSA-N 2 2 319.452 3.355 20 30 DGEDLP N#Cc1ccc(CC[N@@H+](Cc2ccccc2)[C@H]2CCC[NH2+]C2)cc1 ZINC001236268785 1099509576 /nfs/dbraw/zinc/50/95/76/1099509576.db2.gz GQUGRZATOFFUHM-NRFANRHFSA-N 2 2 319.452 3.355 20 30 DGEDLP N#Cc1ccc(C[NH+]2CCC3(CC2)[NH2+]CCc2ccccc23)cc1 ZINC001237277224 1100056608 /nfs/dbraw/zinc/05/66/08/1100056608.db2.gz XQRWWNYNQXGTKV-UHFFFAOYSA-N 2 2 317.436 3.195 20 30 DGEDLP N#CC1(c2ccc(-c3ccc(C[N@H+]4CC[C@H]([NH3+])C4)cc3)cc2)CC1 ZINC001243424249 1102715407 /nfs/dbraw/zinc/71/54/07/1102715407.db2.gz LBRVTYXNXNCLQF-FQEVSTJZSA-N 2 2 317.436 3.442 20 30 DGEDLP N#CC1(c2ccc(-c3ccc(C[N@@H+]4CC[C@H]([NH3+])C4)cc3)cc2)CC1 ZINC001243424249 1102715417 /nfs/dbraw/zinc/71/54/17/1102715417.db2.gz LBRVTYXNXNCLQF-FQEVSTJZSA-N 2 2 317.436 3.442 20 30 DGEDLP N#CC1(c2cccc(-c3ccc(C[N@H+]4CC[C@H]([NH3+])C4)cc3)c2)CC1 ZINC001244075957 1103191414 /nfs/dbraw/zinc/19/14/14/1103191414.db2.gz HIFLEGWBUHEMAT-FQEVSTJZSA-N 2 2 317.436 3.442 20 30 DGEDLP N#CC1(c2cccc(-c3ccc(C[N@@H+]4CC[C@H]([NH3+])C4)cc3)c2)CC1 ZINC001244075957 1103191419 /nfs/dbraw/zinc/19/14/19/1103191419.db2.gz HIFLEGWBUHEMAT-FQEVSTJZSA-N 2 2 317.436 3.442 20 30 DGEDLP CCCCCCCCCC[C@H](O)C[NH2+]C[C@@H]1C[C@@H](F)C[NH2+]1 ZINC001245970808 1104344392 /nfs/dbraw/zinc/34/43/92/1104344392.db2.gz CFVMRQPKFAVOEX-IKGGRYGDSA-N 2 2 302.478 3.168 20 30 DGEDLP CCCCCCCCCC[C@H](O)C[NH2+]C[C@@H]1C[C@H](F)C[NH2+]1 ZINC001245987826 1104346923 /nfs/dbraw/zinc/34/69/23/1104346923.db2.gz CFVMRQPKFAVOEX-ULQDDVLXSA-N 2 2 302.478 3.168 20 30 DGEDLP C=CCC[C@H](O)C[NH+]1CCC([N@H+](C)Cc2cccc(F)c2)CC1 ZINC001252601943 1105800834 /nfs/dbraw/zinc/80/08/34/1105800834.db2.gz GYPKPOCXTDIFIK-IBGZPJMESA-N 2 2 320.452 3.049 20 30 DGEDLP C=CCC[C@H](O)C[NH+]1CCC([N@@H+](C)Cc2cccc(F)c2)CC1 ZINC001252601943 1105800841 /nfs/dbraw/zinc/80/08/41/1105800841.db2.gz GYPKPOCXTDIFIK-IBGZPJMESA-N 2 2 320.452 3.049 20 30 DGEDLP C=CCC[C@@H](O)C[NH2+]C1CC[NH+](Cc2ccc(F)cc2C)CC1 ZINC001252618856 1105805162 /nfs/dbraw/zinc/80/51/62/1105805162.db2.gz HIEBRTBLXQJVMZ-LJQANCHMSA-N 2 2 320.452 3.015 20 30 DGEDLP C=CCCCCCC[C@@H](O)C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC001253238032 1105907102 /nfs/dbraw/zinc/90/71/02/1105907102.db2.gz ANJWVZRSQLPUNY-GOSISDBHSA-N 2 2 305.466 3.408 20 30 DGEDLP C=CCCCCCC[C@H](O)C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC001253240635 1105908638 /nfs/dbraw/zinc/90/86/38/1105908638.db2.gz NXDSKCYUNISEAF-IRXDYDNUSA-N 2 2 305.466 3.477 20 30 DGEDLP C=CCCCCCC[C@H](O)C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC001253240635 1105908642 /nfs/dbraw/zinc/90/86/42/1105908642.db2.gz NXDSKCYUNISEAF-IRXDYDNUSA-N 2 2 305.466 3.477 20 30 DGEDLP C=CCCCCCC[C@H](O)C[NH2+]Cc1ccc2[nH+]ccn2c1 ZINC001253256828 1105913826 /nfs/dbraw/zinc/91/38/26/1105913826.db2.gz GFGABUDSTNEOGH-KRWDZBQOSA-N 2 2 301.434 3.311 20 30 DGEDLP Cc1c(F)cccc1C[NH+]1CCC([NH2+][C@H]2CC[C@H](C#N)C2)CC1 ZINC001254649046 1106121422 /nfs/dbraw/zinc/12/14/22/1106121422.db2.gz LXRSXGVDDCZHFX-YJBOKZPZSA-N 2 2 315.436 3.380 20 30 DGEDLP C[N@H+](Cc1ccccc1F)C1CC[NH+]([C@@H]2CC[C@H](C#N)C2)CC1 ZINC001254673750 1106130897 /nfs/dbraw/zinc/13/08/97/1106130897.db2.gz OGPCRHYQWITYTN-MAUKXSAKSA-N 2 2 315.436 3.414 20 30 DGEDLP C[N@@H+](Cc1ccccc1F)C1CC[NH+]([C@@H]2CC[C@H](C#N)C2)CC1 ZINC001254673750 1106130899 /nfs/dbraw/zinc/13/08/99/1106130899.db2.gz OGPCRHYQWITYTN-MAUKXSAKSA-N 2 2 315.436 3.414 20 30 DGEDLP C=CCCC[NH2+]C1(CNC(=O)c2c(C)cc(C)[nH+]c2C)CCC1 ZINC001280494877 1109213452 /nfs/dbraw/zinc/21/34/52/1109213452.db2.gz GMAJFOWYQXWVPU-UHFFFAOYSA-N 2 2 315.461 3.215 20 30 DGEDLP C=C(C)CC[NH2+]CCC[C@H](C)NC(=O)c1c(C)cc(C)[nH+]c1C ZINC001283203304 1109603408 /nfs/dbraw/zinc/60/34/08/1109603408.db2.gz COFJMLCASHTOIV-HNNXBMFYSA-N 2 2 317.477 3.461 20 30 DGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]CCc3ccccc3)CC2)cc1 ZINC000181396183 199289623 /nfs/dbraw/zinc/28/96/23/199289623.db2.gz SGQVISWRTNYALS-UHFFFAOYSA-N 2 2 319.452 3.355 20 30 DGEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)[C@H](C)c2ccc(OC)cc2)CC1 ZINC000177910136 186202991 /nfs/dbraw/zinc/20/29/91/186202991.db2.gz BHIQTLVMIJHNNS-HOTGVXAUSA-N 2 2 302.462 3.427 20 30 DGEDLP C=CC[NH+]1CCC([NH2+][C@H](C)c2ccc(OC)c(OC)c2)CC1 ZINC000173398338 198210550 /nfs/dbraw/zinc/21/05/50/198210550.db2.gz DNFOZVLQTQVHHT-CQSZACIVSA-N 2 2 304.434 3.005 20 30 DGEDLP N#Cc1ccc(C[NH2+]C[C@@H]2CCC[N@H+](Cc3cccs3)C2)o1 ZINC000174325102 198320123 /nfs/dbraw/zinc/32/01/23/198320123.db2.gz MUTFHGOYSXHRLC-AWEZNQCLSA-N 2 2 315.442 3.215 20 30 DGEDLP N#Cc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](Cc3cccs3)C2)o1 ZINC000174325102 198320124 /nfs/dbraw/zinc/32/01/24/198320124.db2.gz MUTFHGOYSXHRLC-AWEZNQCLSA-N 2 2 315.442 3.215 20 30 DGEDLP N#Cc1ccc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)s1 ZINC000180785000 199208977 /nfs/dbraw/zinc/20/89/77/199208977.db2.gz MPICXJGJQVEVJX-CXAGYDPISA-N 2 2 301.459 3.068 20 30 DGEDLP N#Cc1ccc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)s1 ZINC000180785000 199208979 /nfs/dbraw/zinc/20/89/79/199208979.db2.gz MPICXJGJQVEVJX-CXAGYDPISA-N 2 2 301.459 3.068 20 30 DGEDLP N#Cc1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)s1 ZINC000180785000 199208980 /nfs/dbraw/zinc/20/89/80/199208980.db2.gz MPICXJGJQVEVJX-CXAGYDPISA-N 2 2 301.459 3.068 20 30 DGEDLP N#Cc1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)s1 ZINC000180785000 199208982 /nfs/dbraw/zinc/20/89/82/199208982.db2.gz MPICXJGJQVEVJX-CXAGYDPISA-N 2 2 301.459 3.068 20 30 DGEDLP C=CC[NH+]1CCC([NH2+][C@@H]2CCc3cc(F)c(F)c(F)c32)CC1 ZINC000449121299 240028043 /nfs/dbraw/zinc/02/80/43/240028043.db2.gz HDHLWMVVUPYWPG-CQSZACIVSA-N 2 2 310.363 3.331 20 30 DGEDLP C=C[C@@H]1CCCC[N@H+]1C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000489490828 245315166 /nfs/dbraw/zinc/31/51/66/245315166.db2.gz OHAIDBWUKCYZFK-SJORKVTESA-N 2 2 313.445 3.055 20 30 DGEDLP C=C[C@@H]1CCCC[N@@H+]1C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000489490828 245315170 /nfs/dbraw/zinc/31/51/70/245315170.db2.gz OHAIDBWUKCYZFK-SJORKVTESA-N 2 2 313.445 3.055 20 30 DGEDLP C=CCC[C@H](O)C[N@H+]1CCC[C@H]1Cn1c(C)[nH+]c2ccccc21 ZINC000270092329 208148739 /nfs/dbraw/zinc/14/87/39/208148739.db2.gz AUYQTSQMTJVDRE-IRXDYDNUSA-N 2 2 313.445 3.136 20 30 DGEDLP C=CCC[C@H](O)C[N@@H+]1CCC[C@H]1Cn1c(C)[nH+]c2ccccc21 ZINC000270092329 208148744 /nfs/dbraw/zinc/14/87/44/208148744.db2.gz AUYQTSQMTJVDRE-IRXDYDNUSA-N 2 2 313.445 3.136 20 30 DGEDLP C#CCCOc1ccc(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000092072893 400154045 /nfs/dbraw/zinc/15/40/45/400154045.db2.gz NMHVYDQFOZLDFP-QGZVFWFLSA-N 2 2 309.413 3.191 20 30 DGEDLP C#CCCOc1ccc(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000092072893 400154048 /nfs/dbraw/zinc/15/40/48/400154048.db2.gz NMHVYDQFOZLDFP-QGZVFWFLSA-N 2 2 309.413 3.191 20 30 DGEDLP Cc1cc(C#N)ccc1C[NH+](C)CCC[N@@H+](C)Cc1ccco1 ZINC000586788447 400155335 /nfs/dbraw/zinc/15/53/35/400155335.db2.gz XPHWJRNXFRFEFD-UHFFFAOYSA-N 2 2 311.429 3.414 20 30 DGEDLP Cc1cc(C#N)ccc1C[NH+](C)CCC[N@H+](C)Cc1ccco1 ZINC000586788447 400155340 /nfs/dbraw/zinc/15/53/40/400155340.db2.gz XPHWJRNXFRFEFD-UHFFFAOYSA-N 2 2 311.429 3.414 20 30 DGEDLP Cc1cc(C#N)ccc1C[N@@H+](C)CCC[NH+](C)Cc1ccco1 ZINC000586788447 400155344 /nfs/dbraw/zinc/15/53/44/400155344.db2.gz XPHWJRNXFRFEFD-UHFFFAOYSA-N 2 2 311.429 3.414 20 30 DGEDLP Cc1cc(C#N)ccc1C[N@H+](C)CCC[NH+](C)Cc1ccco1 ZINC000586788447 400155350 /nfs/dbraw/zinc/15/53/50/400155350.db2.gz XPHWJRNXFRFEFD-UHFFFAOYSA-N 2 2 311.429 3.414 20 30 DGEDLP N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]CCCNc1cccc[nH+]1 ZINC000611393886 400392817 /nfs/dbraw/zinc/39/28/17/400392817.db2.gz QTFUTEFXXGQACI-SFHVURJKSA-N 2 2 306.413 3.422 20 30 DGEDLP C[C@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccccc1)c1ccc(C#N)cc1F ZINC000596647980 400471006 /nfs/dbraw/zinc/47/10/06/400471006.db2.gz FJEQQWGNOSREIB-BOUXLOLZSA-N 2 2 323.415 3.494 20 30 DGEDLP C[C@H](CCC#N)C[NH2+]CC1([N@@H+]2CCOC(C)(C)C2)CCCCC1 ZINC000602546078 400492860 /nfs/dbraw/zinc/49/28/60/400492860.db2.gz CCPVTOQFNWURDN-QGZVFWFLSA-N 2 2 321.509 3.330 20 30 DGEDLP C[C@H](CCC#N)C[NH2+]CC1([N@H+]2CCOC(C)(C)C2)CCCCC1 ZINC000602546078 400492865 /nfs/dbraw/zinc/49/28/65/400492865.db2.gz CCPVTOQFNWURDN-QGZVFWFLSA-N 2 2 321.509 3.330 20 30 DGEDLP C[C@H](CC1(C#N)CCOCC1)[NH2+][C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000602707727 400546616 /nfs/dbraw/zinc/54/66/16/400546616.db2.gz ABXXWIMYIADILJ-SJORKVTESA-N 2 2 319.493 3.082 20 30 DGEDLP C[C@H](CC1(C#N)CCOCC1)[NH2+][C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000602707727 400546621 /nfs/dbraw/zinc/54/66/21/400546621.db2.gz ABXXWIMYIADILJ-SJORKVTESA-N 2 2 319.493 3.082 20 30 DGEDLP C[C@@H](CCC#N)C[NH2+]C1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000602706970 400546746 /nfs/dbraw/zinc/54/67/46/400546746.db2.gz RKMFBKMWWFTFFD-INIZCTEOSA-N 2 2 310.445 3.052 20 30 DGEDLP C[N@H+](CC1(CC#N)CC1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000602835981 400586294 /nfs/dbraw/zinc/58/62/94/400586294.db2.gz CNTUINSHYZQBCK-UHFFFAOYSA-N 2 2 303.372 3.029 20 30 DGEDLP C[N@@H+](CC1(CC#N)CC1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000602835981 400586297 /nfs/dbraw/zinc/58/62/97/400586297.db2.gz CNTUINSHYZQBCK-UHFFFAOYSA-N 2 2 303.372 3.029 20 30 DGEDLP C=CC[NH+]1CCC([NH2+][C@@H](CC)c2cccc(OC)c2OC)CC1 ZINC000631582586 401505046 /nfs/dbraw/zinc/50/50/46/401505046.db2.gz SNENQOKDVWZPAW-KRWDZBQOSA-N 2 2 318.461 3.395 20 30 DGEDLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3ccc(C#N)cc3Cl)CC[C@H]21 ZINC000228719917 165391008 /nfs/dbraw/zinc/39/10/08/165391008.db2.gz YGFPSPYVBJCEEI-NVXWUHKLSA-N 2 2 303.837 3.128 20 30 DGEDLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3ccc(C#N)cc3Cl)CC[C@H]21 ZINC000228719917 165391012 /nfs/dbraw/zinc/39/10/12/165391012.db2.gz YGFPSPYVBJCEEI-NVXWUHKLSA-N 2 2 303.837 3.128 20 30 DGEDLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3ccc(C#N)cc3Cl)CC[C@H]21 ZINC000228719917 165391016 /nfs/dbraw/zinc/39/10/16/165391016.db2.gz YGFPSPYVBJCEEI-NVXWUHKLSA-N 2 2 303.837 3.128 20 30 DGEDLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3ccc(C#N)cc3Cl)CC[C@H]21 ZINC000228719917 165391020 /nfs/dbraw/zinc/39/10/20/165391020.db2.gz YGFPSPYVBJCEEI-NVXWUHKLSA-N 2 2 303.837 3.128 20 30 DGEDLP CC[NH+](CC)C[C@H]1CCCC[C@H]1[NH2+]Cc1nc(C#N)cs1 ZINC000352798701 266118641 /nfs/dbraw/zinc/11/86/41/266118641.db2.gz NXIAXSVBJVWVPP-UKRRQHHQSA-N 2 2 306.479 3.005 20 30 DGEDLP C[NH+](C)C1(C[NH2+]C2CCC(C)(C#N)CC2)Cc2ccccc2C1 ZINC000449155622 276770264 /nfs/dbraw/zinc/77/02/64/276770264.db2.gz BQAOQRRVOPUUPZ-UHFFFAOYSA-N 2 2 311.473 3.148 20 30 DGEDLP CC1(C)C[N@@H+](C2(C[NH2+][C@@H]3CC[C@H](C#N)C3)CCCCC2)CCO1 ZINC000442767755 281230375 /nfs/dbraw/zinc/23/03/75/281230375.db2.gz NHQUOKHICTXYGY-DLBZAZTESA-N 2 2 319.493 3.082 20 30 DGEDLP CC1(C)C[N@H+](C2(C[NH2+][C@@H]3CC[C@H](C#N)C3)CCCCC2)CCO1 ZINC000442767755 281230378 /nfs/dbraw/zinc/23/03/78/281230378.db2.gz NHQUOKHICTXYGY-DLBZAZTESA-N 2 2 319.493 3.082 20 30 DGEDLP C=CCOc1cccc(C[N@@H+]2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)c1 ZINC000261826379 432452135 /nfs/dbraw/zinc/45/21/35/432452135.db2.gz YKDFTTJZPNPNIN-VQTJNVASSA-N 2 2 308.425 3.178 20 30 DGEDLP C=CCOc1cccc(C[N@H+]2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)c1 ZINC000261826379 432452139 /nfs/dbraw/zinc/45/21/39/432452139.db2.gz YKDFTTJZPNPNIN-VQTJNVASSA-N 2 2 308.425 3.178 20 30 DGEDLP Cc1cc(C)cc(NC(=[NH2+])NC[C@@H](c2cccs2)[NH+](C)C)c1 ZINC000262337862 432483306 /nfs/dbraw/zinc/48/33/06/432483306.db2.gz SHVZNJQNLSTFLN-HNNXBMFYSA-N 2 2 316.474 3.394 20 30 DGEDLP N#Cc1ccc(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)s1 ZINC000176940462 432567073 /nfs/dbraw/zinc/56/70/73/432567073.db2.gz YVWGUGNKUFEBMD-UHFFFAOYSA-N 2 2 311.454 3.374 20 30 DGEDLP Cc1[nH+]c2ccccc2n1C1CC[NH+](C[C@@H](C#N)CCC#N)CC1 ZINC000280176801 282077711 /nfs/dbraw/zinc/07/77/11/282077711.db2.gz GOIZWGBAJXSSIZ-MRXNPFEDSA-N 2 2 321.428 3.425 20 30 DGEDLP C[C@H]1CC[N@H+](CCCOc2ccc(C#N)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000177910960 432673351 /nfs/dbraw/zinc/67/33/51/432673351.db2.gz CXZGNWAIXYKDML-LPHOPBHVSA-N 2 2 324.428 3.107 20 30 DGEDLP C[C@H]1CC[N@@H+](CCCOc2ccc(C#N)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000177910960 432673355 /nfs/dbraw/zinc/67/33/55/432673355.db2.gz CXZGNWAIXYKDML-LPHOPBHVSA-N 2 2 324.428 3.107 20 30 DGEDLP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000280609871 433107654 /nfs/dbraw/zinc/10/76/54/433107654.db2.gz KBZFXBWVPUYINX-NBYUQASBSA-N 2 2 314.473 3.078 20 30 DGEDLP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000280609871 433107661 /nfs/dbraw/zinc/10/76/61/433107661.db2.gz KBZFXBWVPUYINX-NBYUQASBSA-N 2 2 314.473 3.078 20 30 DGEDLP Cc1cc(NC[C@H](c2ccccc2Cl)[NH+](C)C)c(C#N)c[nH+]1 ZINC000425204076 433120956 /nfs/dbraw/zinc/12/09/56/433120956.db2.gz SUJQFOVJEDZCIO-QGZVFWFLSA-N 2 2 314.820 3.052 20 30 DGEDLP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](CC#Cc2cccc(Cl)c2)C1 ZINC000437575964 434290764 /nfs/dbraw/zinc/29/07/64/434290764.db2.gz BQQCPRJNLRNKLB-SFHVURJKSA-N 2 2 316.876 3.355 20 30 DGEDLP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](CC#Cc2cccc(Cl)c2)C1 ZINC000437575964 434290773 /nfs/dbraw/zinc/29/07/73/434290773.db2.gz BQQCPRJNLRNKLB-SFHVURJKSA-N 2 2 316.876 3.355 20 30 DGEDLP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](CC#Cc2cccc(Cl)c2)C1 ZINC000437575964 434290779 /nfs/dbraw/zinc/29/07/79/434290779.db2.gz BQQCPRJNLRNKLB-SFHVURJKSA-N 2 2 316.876 3.355 20 30 DGEDLP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](CC#Cc2cccc(Cl)c2)C1 ZINC000437575964 434290787 /nfs/dbraw/zinc/29/07/87/434290787.db2.gz BQQCPRJNLRNKLB-SFHVURJKSA-N 2 2 316.876 3.355 20 30 DGEDLP Cn1cc[nH+]c1[C@H]1CCC[N@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC000365632358 434302028 /nfs/dbraw/zinc/30/20/28/434302028.db2.gz SKJLLQIRRHAXNQ-INIZCTEOSA-N 2 2 313.832 3.305 20 30 DGEDLP Cn1cc[nH+]c1[C@H]1CCC[N@@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC000365632358 434302037 /nfs/dbraw/zinc/30/20/37/434302037.db2.gz SKJLLQIRRHAXNQ-INIZCTEOSA-N 2 2 313.832 3.305 20 30 DGEDLP Cn1cc[nH+]c1[C@@H]1CCC[N@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC000365632359 434303989 /nfs/dbraw/zinc/30/39/89/434303989.db2.gz SKJLLQIRRHAXNQ-MRXNPFEDSA-N 2 2 313.832 3.305 20 30 DGEDLP Cn1cc[nH+]c1[C@@H]1CCC[N@@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC000365632359 434303998 /nfs/dbraw/zinc/30/39/98/434303998.db2.gz SKJLLQIRRHAXNQ-MRXNPFEDSA-N 2 2 313.832 3.305 20 30 DGEDLP O=C(CCc1[nH]cc[nH+]1)NC1CC[NH+](C2CCCCC2)CC1 ZINC000329280244 434386155 /nfs/dbraw/zinc/38/61/55/434386155.db2.gz LYCDHLSSQHLCJG-UHFFFAOYSA-N 2 2 304.438 3.096 20 30 DGEDLP N#Cc1cccc(C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c1F ZINC000340868651 434401441 /nfs/dbraw/zinc/40/14/41/434401441.db2.gz JYMVCXCHFGQXQE-KRWDZBQOSA-N 2 2 301.409 3.148 20 30 DGEDLP N#Cc1cccc(C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c1F ZINC000340868651 434401448 /nfs/dbraw/zinc/40/14/48/434401448.db2.gz JYMVCXCHFGQXQE-KRWDZBQOSA-N 2 2 301.409 3.148 20 30 DGEDLP CC[C@H]([NH2+]C[C@@H]1[NH2+]CCc2ccccc21)c1ccc(C#N)cc1 ZINC000423431357 434419649 /nfs/dbraw/zinc/41/96/49/434419649.db2.gz QLUGGBXFLDCUTO-PMACEKPBSA-N 2 2 305.425 3.486 20 30 DGEDLP C=CC[C@@H](C)[C@H](C)[NH2+]CC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000423545481 434483745 /nfs/dbraw/zinc/48/37/45/434483745.db2.gz CRCYLHXVHWHVPQ-MSOLQXFVSA-N 3 2 315.505 3.170 20 30 DGEDLP C=CCCC[N@@H+]1CC[C@@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000451015999 434532767 /nfs/dbraw/zinc/53/27/67/434532767.db2.gz GTSKNWQOXWGQHZ-MRXNPFEDSA-N 2 2 301.434 3.101 20 30 DGEDLP C=CCCC[N@H+]1CC[C@@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000451015999 434532770 /nfs/dbraw/zinc/53/27/70/434532770.db2.gz GTSKNWQOXWGQHZ-MRXNPFEDSA-N 2 2 301.434 3.101 20 30 DGEDLP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000367014657 434536478 /nfs/dbraw/zinc/53/64/78/434536478.db2.gz WYIPDVYZZYZQBU-MOPGFXCFSA-N 2 2 308.429 3.353 20 30 DGEDLP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000367014657 434536481 /nfs/dbraw/zinc/53/64/81/434536481.db2.gz WYIPDVYZZYZQBU-MOPGFXCFSA-N 2 2 308.429 3.353 20 30 DGEDLP C[N@H+](CC#Cc1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000367598924 434553081 /nfs/dbraw/zinc/55/30/81/434553081.db2.gz ATKPBORXITYLIR-JWTNVVGKSA-N 2 2 302.849 3.249 20 30 DGEDLP C[N@@H+](CC#Cc1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000367598924 434553086 /nfs/dbraw/zinc/55/30/86/434553086.db2.gz ATKPBORXITYLIR-JWTNVVGKSA-N 2 2 302.849 3.249 20 30 DGEDLP C[NH+](CC#Cc1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000367598924 434553090 /nfs/dbraw/zinc/55/30/90/434553090.db2.gz ATKPBORXITYLIR-JWTNVVGKSA-N 2 2 302.849 3.249 20 30 DGEDLP C[NH+](CC#Cc1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000367598924 434553096 /nfs/dbraw/zinc/55/30/96/434553096.db2.gz ATKPBORXITYLIR-JWTNVVGKSA-N 2 2 302.849 3.249 20 30 DGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@@H]3C[C@H]3C3CCC3)CC2)cc1 ZINC000424194709 434653233 /nfs/dbraw/zinc/65/32/33/434653233.db2.gz LSCNDSDHVAQHJW-VQTJNVASSA-N 2 2 309.457 3.301 20 30 DGEDLP COc1cc(C[NH2+][C@H](C)[C@H](c2ccccc2)[NH+](C)C)ccc1C#N ZINC000440645323 434727366 /nfs/dbraw/zinc/72/73/66/434727366.db2.gz LNGDIMSJYCEBHJ-FOIQADDNSA-N 2 2 323.440 3.348 20 30 DGEDLP COc1cc(C[NH2+][C@@H](C)[C@H](c2ccccc2)[NH+](C)C)ccc1C#N ZINC000440645324 434728707 /nfs/dbraw/zinc/72/87/07/434728707.db2.gz LNGDIMSJYCEBHJ-MGPUTAFESA-N 2 2 323.440 3.348 20 30 DGEDLP N#CCSCCC[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000361063864 434783728 /nfs/dbraw/zinc/78/37/28/434783728.db2.gz WLBMRPMONZVSTO-UHFFFAOYSA-N 2 2 306.479 3.022 20 30 DGEDLP CC[C@H](C[NH2+][C@H]1CCC[C@H](C#N)C1)[N@@H+]1CCc2ccccc2C1 ZINC000463287914 434952138 /nfs/dbraw/zinc/95/21/38/434952138.db2.gz NWEKUOARFUZWRH-FFZOFVMBSA-N 2 2 311.473 3.495 20 30 DGEDLP CC[C@H](C[NH2+][C@H]1CCC[C@H](C#N)C1)[N@H+]1CCc2ccccc2C1 ZINC000463287914 434952141 /nfs/dbraw/zinc/95/21/41/434952141.db2.gz NWEKUOARFUZWRH-FFZOFVMBSA-N 2 2 311.473 3.495 20 30 DGEDLP CC[C@H](C[NH2+][C@H]1CCC[C@@H](C#N)C1)[N@@H+]1CCc2ccccc2C1 ZINC000463287915 434952278 /nfs/dbraw/zinc/95/22/78/434952278.db2.gz NWEKUOARFUZWRH-LSTHTHJFSA-N 2 2 311.473 3.495 20 30 DGEDLP CC[C@H](C[NH2+][C@H]1CCC[C@@H](C#N)C1)[N@H+]1CCc2ccccc2C1 ZINC000463287915 434952282 /nfs/dbraw/zinc/95/22/82/434952282.db2.gz NWEKUOARFUZWRH-LSTHTHJFSA-N 2 2 311.473 3.495 20 30 DGEDLP Cn1c[nH+]cc1CCC[N@@H+]1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000514869940 435446169 /nfs/dbraw/zinc/44/61/69/435446169.db2.gz DWNYDULDKLYHKF-RBUKOAKNSA-N 2 2 308.429 3.124 20 30 DGEDLP Cn1c[nH+]cc1CCC[N@H+]1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000514869940 435446174 /nfs/dbraw/zinc/44/61/74/435446174.db2.gz DWNYDULDKLYHKF-RBUKOAKNSA-N 2 2 308.429 3.124 20 30 DGEDLP Cc1cc(NC[C@H](c2ccc(Cl)cc2)[NH+](C)C)c(C#N)c[nH+]1 ZINC000515056035 435458512 /nfs/dbraw/zinc/45/85/12/435458512.db2.gz YZPKBBGMHFXXQT-QGZVFWFLSA-N 2 2 314.820 3.052 20 30 DGEDLP C=CC[C@@H](Cc1ccccc1)[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655776209 435790858 /nfs/dbraw/zinc/79/08/58/435790858.db2.gz JUIXZERPXHWCQX-PMACEKPBSA-N 2 2 314.473 3.017 20 30 DGEDLP C#C[C@@H]([NH2+]C1CC[NH+](CC2CC2)CC1)c1ccc(Cl)cc1 ZINC000491514899 435764248 /nfs/dbraw/zinc/76/42/48/435764248.db2.gz KPRLROLPFVKSNQ-GOSISDBHSA-N 2 2 302.849 3.478 20 30 DGEDLP C=CC[NH+]1CCC([NH2+]Cc2cccc(F)c2OC(F)F)CC1 ZINC000657352850 436154708 /nfs/dbraw/zinc/15/47/08/436154708.db2.gz LFGJCQUEKAMSNE-UHFFFAOYSA-N 2 2 314.351 3.167 20 30 DGEDLP C[N@@H+]1CCC[C@@]2(CC[NH+](CC#Cc3ccc(Cl)cc3)C2)C1 ZINC000292959749 335098251 /nfs/dbraw/zinc/09/82/51/335098251.db2.gz LIHRROVDJAYYFD-GOSISDBHSA-N 2 2 302.849 3.109 20 30 DGEDLP C[N@H+]1CCC[C@@]2(CC[NH+](CC#Cc3ccc(Cl)cc3)C2)C1 ZINC000292959749 335098253 /nfs/dbraw/zinc/09/82/53/335098253.db2.gz LIHRROVDJAYYFD-GOSISDBHSA-N 2 2 302.849 3.109 20 30 DGEDLP C[NH+]1CCC[C@@]2(CC[N@H+](CC#Cc3ccc(Cl)cc3)C2)C1 ZINC000292959749 335098255 /nfs/dbraw/zinc/09/82/55/335098255.db2.gz LIHRROVDJAYYFD-GOSISDBHSA-N 2 2 302.849 3.109 20 30 DGEDLP C[NH+]1CCC[C@@]2(CC[N@@H+](CC#Cc3ccc(Cl)cc3)C2)C1 ZINC000292959749 335098256 /nfs/dbraw/zinc/09/82/56/335098256.db2.gz LIHRROVDJAYYFD-GOSISDBHSA-N 2 2 302.849 3.109 20 30 DGEDLP C=CCOc1ccc(C[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)cc1Cl ZINC000352534597 336223000 /nfs/dbraw/zinc/22/30/00/336223000.db2.gz IIPPVIMMJOHAHJ-GOSISDBHSA-N 2 2 320.864 3.480 20 30 DGEDLP C=CCOc1ccc(C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)cc1Cl ZINC000352534597 336223001 /nfs/dbraw/zinc/22/30/01/336223001.db2.gz IIPPVIMMJOHAHJ-GOSISDBHSA-N 2 2 320.864 3.480 20 30 DGEDLP C=CCOc1cccc(C[N@@H+]2CCCC[C@@H]2[C@H]2CCC[NH2+]2)c1 ZINC000582904583 337213644 /nfs/dbraw/zinc/21/36/44/337213644.db2.gz AOHWFRYBVMZFNQ-RTBURBONSA-N 2 2 300.446 3.358 20 30 DGEDLP C=CCOc1cccc(C[N@H+]2CCCC[C@@H]2[C@H]2CCC[NH2+]2)c1 ZINC000582904583 337213645 /nfs/dbraw/zinc/21/36/45/337213645.db2.gz AOHWFRYBVMZFNQ-RTBURBONSA-N 2 2 300.446 3.358 20 30 DGEDLP C[C@H](c1cccnc1)[N@H+](C)CC#CC[NH+](C)[C@@H](C)c1cccnc1 ZINC000351180771 534147142 /nfs/dbraw/zinc/14/71/42/534147142.db2.gz HFZAFRKQAXRWHK-HDICACEKSA-N 2 2 322.456 3.166 20 30 DGEDLP C[C@H](c1cccnc1)[N@@H+](C)CC#CC[NH+](C)[C@@H](C)c1cccnc1 ZINC000351180771 534147164 /nfs/dbraw/zinc/14/71/64/534147164.db2.gz HFZAFRKQAXRWHK-HDICACEKSA-N 2 2 322.456 3.166 20 30 DGEDLP C[C@H](c1cccnc1)[NH+](C)CC#CC[N@H+](C)[C@@H](C)c1cccnc1 ZINC000351180771 534147172 /nfs/dbraw/zinc/14/71/72/534147172.db2.gz HFZAFRKQAXRWHK-HDICACEKSA-N 2 2 322.456 3.166 20 30 DGEDLP C[C@H](c1cccnc1)[NH+](C)CC#CC[N@@H+](C)[C@@H](C)c1cccnc1 ZINC000351180771 534147176 /nfs/dbraw/zinc/14/71/76/534147176.db2.gz HFZAFRKQAXRWHK-HDICACEKSA-N 2 2 322.456 3.166 20 30 DGEDLP C=C[C@@H]1OCC[C@H]1[NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000449519783 534607855 /nfs/dbraw/zinc/60/78/55/534607855.db2.gz NIMPTHRAXHEODS-MSOLQXFVSA-N 2 2 320.864 3.238 20 30 DGEDLP C=CC[NH+]1CCC([NH2+][C@@H](C[C@H]2CCOC2)c2ccccc2)CC1 ZINC000339066139 526453711 /nfs/dbraw/zinc/45/37/11/526453711.db2.gz CIJDGKPYNIMIQO-XLIONFOSSA-N 2 2 314.473 3.394 20 30 DGEDLP C=CC[NH+]1CCC([NH2+][C@H]2CCC[C@@H](CCCC(=O)OC)C2)CC1 ZINC000339242697 526454593 /nfs/dbraw/zinc/45/45/93/526454593.db2.gz PRHAXTYQOOEKFV-WMZOPIPTSA-N 2 2 322.493 3.129 20 30 DGEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2cnc(C(F)(F)F)s2)CC1 ZINC000443958479 526604512 /nfs/dbraw/zinc/60/45/12/526604512.db2.gz LADKVKWLEIJQBW-UHFFFAOYSA-N 2 2 319.396 3.292 20 30 DGEDLP C=CCOc1cccc(C[NH+]2[C@@H]3CC[C@H]2C[N@H+](CC)CC3)c1 ZINC000180513803 526902639 /nfs/dbraw/zinc/90/26/39/526902639.db2.gz BHDYKBLYRRPICT-MSOLQXFVSA-N 2 2 300.446 3.310 20 30 DGEDLP C=CCOc1cccc(C[NH+]2[C@@H]3CC[C@H]2C[N@@H+](CC)CC3)c1 ZINC000180513803 526902643 /nfs/dbraw/zinc/90/26/43/526902643.db2.gz BHDYKBLYRRPICT-MSOLQXFVSA-N 2 2 300.446 3.310 20 30 DGEDLP C=CCOc1cccc(C[N@@H+]2[C@@H]3CC[C@H]2C[NH+](CC)CC3)c1 ZINC000180513803 526902647 /nfs/dbraw/zinc/90/26/47/526902647.db2.gz BHDYKBLYRRPICT-MSOLQXFVSA-N 2 2 300.446 3.310 20 30 DGEDLP C=CCOc1cccc(C[N@H+]2[C@@H]3CC[C@H]2C[NH+](CC)CC3)c1 ZINC000180513803 526902649 /nfs/dbraw/zinc/90/26/49/526902649.db2.gz BHDYKBLYRRPICT-MSOLQXFVSA-N 2 2 300.446 3.310 20 30 DGEDLP C#CCOc1ccc([C@@H](C)[NH2+]CCc2cn3c([nH+]2)CCCC3)cc1 ZINC000152762407 527113803 /nfs/dbraw/zinc/11/38/03/527113803.db2.gz ACHIQPHWSINLFJ-MRXNPFEDSA-N 2 2 323.440 3.125 20 30 DGEDLP C=CCC[C@@H]([NH2+]C[C@H]1C[N@H+](CC(C)C)CCO1)c1ccco1 ZINC000353445021 527449610 /nfs/dbraw/zinc/44/96/10/527449610.db2.gz WBISJSPOVPXDDC-DLBZAZTESA-N 2 2 306.450 3.233 20 30 DGEDLP C=CCC[C@@H]([NH2+]C[C@H]1C[N@@H+](CC(C)C)CCO1)c1ccco1 ZINC000353445021 527449617 /nfs/dbraw/zinc/44/96/17/527449617.db2.gz WBISJSPOVPXDDC-DLBZAZTESA-N 2 2 306.450 3.233 20 30 DGEDLP CC[NH+](CC)[C@H](C[NH2+][C@@H]1CC[C@H](C#N)C1)c1cccc(OC)c1 ZINC000442632883 528281310 /nfs/dbraw/zinc/28/13/10/528281310.db2.gz AUFIJQIMQWABFY-KVSKMBFKSA-N 2 2 315.461 3.360 20 30 DGEDLP C=CC[C@H](C)[C@@H](C)[NH2+][C@@]1(CO)CCC[N@H+](Cc2ccccc2)C1 ZINC000679044848 548822889 /nfs/dbraw/zinc/82/28/89/548822889.db2.gz REYNMIKYWGOUKX-NSHGMRRFSA-N 2 2 316.489 3.204 20 30 DGEDLP C=CC[C@H](C)[C@@H](C)[NH2+][C@@]1(CO)CCC[N@@H+](Cc2ccccc2)C1 ZINC000679044848 548822894 /nfs/dbraw/zinc/82/28/94/548822894.db2.gz REYNMIKYWGOUKX-NSHGMRRFSA-N 2 2 316.489 3.204 20 30 DGEDLP C=CC[NH+]1CCC([NH2+]Cc2cc3c(cccc3O)s2)CC1 ZINC000894229814 618734350 /nfs/dbraw/zinc/73/43/50/618734350.db2.gz YKANUJYQSKPDQS-UHFFFAOYSA-N 2 2 302.443 3.347 20 30 DGEDLP C=CCOc1ccc(C[NH+]2CCC([NH2+]C3CCC3)CC2)cc1 ZINC000897985520 619203546 /nfs/dbraw/zinc/20/35/46/619203546.db2.gz OKGICBYEMFXEDF-UHFFFAOYSA-N 2 2 300.446 3.358 20 30 DGEDLP C[C@@H]([NH2+]CCC[N@@H+]1CCc2ccccc2C1)c1cc(C#N)ccn1 ZINC000902732381 619667405 /nfs/dbraw/zinc/66/74/05/619667405.db2.gz CAYNBZKRQOBEHH-MRXNPFEDSA-N 2 2 320.440 3.052 20 30 DGEDLP C[C@@H]([NH2+]CCC[N@H+]1CCc2ccccc2C1)c1cc(C#N)ccn1 ZINC000902732381 619667407 /nfs/dbraw/zinc/66/74/07/619667407.db2.gz CAYNBZKRQOBEHH-MRXNPFEDSA-N 2 2 320.440 3.052 20 30 DGEDLP C[C@H]([NH2+]CCC[N@@H+]1CCc2ccccc2C1)c1cc(C#N)ccn1 ZINC000902732380 619667542 /nfs/dbraw/zinc/66/75/42/619667542.db2.gz CAYNBZKRQOBEHH-INIZCTEOSA-N 2 2 320.440 3.052 20 30 DGEDLP C[C@H]([NH2+]CCC[N@H+]1CCc2ccccc2C1)c1cc(C#N)ccn1 ZINC000902732380 619667544 /nfs/dbraw/zinc/66/75/44/619667544.db2.gz CAYNBZKRQOBEHH-INIZCTEOSA-N 2 2 320.440 3.052 20 30 DGEDLP C=CC[NH+](CC=C)[C@H](C[NH2+][C@@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21)C(C)C ZINC000902742855 619669106 /nfs/dbraw/zinc/66/91/06/619669106.db2.gz ZILLCYJEROCVCR-VTYCOLDWSA-N 2 2 318.505 3.088 20 30 DGEDLP C=CC[NH+]1CCC([NH2+][C@H](C)c2cccc(COC(C)=O)c2)CC1 ZINC000903091740 619718773 /nfs/dbraw/zinc/71/87/73/619718773.db2.gz ZPIAIQAASLWNEG-OAHLLOKOSA-N 2 2 316.445 3.051 20 30 DGEDLP C=CCC[C@H]([NH2+][C@@H](CC[NH+](C)C)c1cccnc1)[C@H]1CCCO1 ZINC000903377359 619767809 /nfs/dbraw/zinc/76/78/09/619767809.db2.gz LFPLEAWJETXPPB-GBESFXJTSA-N 2 2 317.477 3.178 20 30 DGEDLP N#Cc1cc(Cl)cc(C[N@@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)c1 ZINC000903453960 619779320 /nfs/dbraw/zinc/77/93/20/619779320.db2.gz QDRCUBFDGPJRHP-WBVHZDCISA-N 2 2 303.837 3.176 20 30 DGEDLP N#Cc1cc(Cl)cc(C[N@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)c1 ZINC000903453960 619779323 /nfs/dbraw/zinc/77/93/23/619779323.db2.gz QDRCUBFDGPJRHP-WBVHZDCISA-N 2 2 303.837 3.176 20 30 DGEDLP C[C@@H](C[NH2+][C@@H](C)c1cccc(C#N)c1O)C[NH+]1CCCCC1 ZINC000866237468 622072863 /nfs/dbraw/zinc/07/28/63/622072863.db2.gz DGSRAPALDUCJAA-GJZGRUSLSA-N 2 2 301.434 3.036 20 30 DGEDLP C[C@H](C[NH2+][C@H](C)c1cccc(C#N)c1O)C[NH+]1CCCCC1 ZINC000866237470 622072959 /nfs/dbraw/zinc/07/29/59/622072959.db2.gz DGSRAPALDUCJAA-HUUCEWRRSA-N 2 2 301.434 3.036 20 30 DGEDLP CCC[NH+]1CCC(C[NH2+][C@H](C)c2cccc(C#N)c2O)CC1 ZINC000866260602 622078470 /nfs/dbraw/zinc/07/84/70/622078470.db2.gz VTTYEGTZRARKLM-CQSZACIVSA-N 2 2 301.434 3.036 20 30 DGEDLP C#CCOc1cccc(Cl)c1C[NH2+]C[C@@H]1CC[N@@H+](CCC)C1 ZINC000778159728 623617791 /nfs/dbraw/zinc/61/77/91/623617791.db2.gz OQWZPLZGAADYJB-HNNXBMFYSA-N 2 2 320.864 3.174 20 30 DGEDLP C#CCOc1cccc(Cl)c1C[NH2+]C[C@@H]1CC[N@H+](CCC)C1 ZINC000778159728 623617793 /nfs/dbraw/zinc/61/77/93/623617793.db2.gz OQWZPLZGAADYJB-HNNXBMFYSA-N 2 2 320.864 3.174 20 30 DGEDLP C[C@H](CC1(C#N)CCOCC1)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000876990648 623761332 /nfs/dbraw/zinc/76/13/32/623761332.db2.gz KWXHFZKDBHVVPB-MRXNPFEDSA-N 2 2 324.428 3.061 20 30 DGEDLP C[C@@H](CCC#N)C[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000877066572 623781596 /nfs/dbraw/zinc/78/15/96/623781596.db2.gz OGBXVJSNRJLUFC-INIZCTEOSA-N 2 2 314.477 3.251 20 30 DGEDLP COc1ccc(C[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)cc1C#N ZINC000784585929 624552619 /nfs/dbraw/zinc/55/26/19/624552619.db2.gz BQGFNTQBSOAASI-UHFFFAOYSA-N 2 2 324.409 3.104 20 30 DGEDLP C#Cc1ccc(C[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)cc1 ZINC000883132342 625938201 /nfs/dbraw/zinc/93/82/01/625938201.db2.gz NXPWYMVPDZTQEG-UHFFFAOYSA-N 2 2 310.363 3.174 20 30 DGEDLP N#C[C@@H]1CCC[C@H]([NH2+]c2ccc(N3CC[N@@H+]4CCC[C@@H]4C3)cc2)C1 ZINC000883347655 626656175 /nfs/dbraw/zinc/65/61/75/626656175.db2.gz WPRUTORXBYJTCQ-IMFGXOCKSA-N 2 2 324.472 3.465 20 30 DGEDLP N#C[C@@H]1CCC[C@H]([NH2+]c2ccc(N3CC[N@H+]4CCC[C@@H]4C3)cc2)C1 ZINC000883347655 626656179 /nfs/dbraw/zinc/65/61/79/626656179.db2.gz WPRUTORXBYJTCQ-IMFGXOCKSA-N 2 2 324.472 3.465 20 30 DGEDLP C#Cc1ccc(C[NH2+]CC2([NH+]3CCSCC3)CCCC2)cc1 ZINC000809606261 626925325 /nfs/dbraw/zinc/92/53/25/626925325.db2.gz XKDDVTUITBMOPN-UHFFFAOYSA-N 2 2 314.498 3.119 20 30 DGEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]C3(C4CC4)CCC3)CC2)cc1 ZINC000886392123 627145849 /nfs/dbraw/zinc/14/58/49/627145849.db2.gz VXOGKESQNIKAKT-UHFFFAOYSA-N 2 2 309.457 3.445 20 30 DGEDLP C[C@H](CC(C)(C)C#N)[NH2+][C@H]1CCc2[nH+]c(C(C)(C)C)cn2C1 ZINC000924891376 627691402 /nfs/dbraw/zinc/69/14/02/627691402.db2.gz ZPWMRMBUGADBNG-KGLIPLIRSA-N 2 2 302.466 3.413 20 30 DGEDLP C#CC[N@@H+](C)CCC[NH2+][C@H](C)c1ccc(F)cc1OC(F)F ZINC000815651957 627694894 /nfs/dbraw/zinc/69/48/94/627694894.db2.gz JZTGGLXWXNJZKV-GFCCVEGCSA-N 2 2 314.351 3.033 20 30 DGEDLP C#CC[N@H+](C)CCC[NH2+][C@H](C)c1ccc(F)cc1OC(F)F ZINC000815651957 627694896 /nfs/dbraw/zinc/69/48/96/627694896.db2.gz JZTGGLXWXNJZKV-GFCCVEGCSA-N 2 2 314.351 3.033 20 30 DGEDLP C=CCc1cc(C[NH2+][C@H](CC)[C@@H]2CCC[NH2+]2)cc(OC)c1OC ZINC000817908948 627958557 /nfs/dbraw/zinc/95/85/57/627958557.db2.gz KQNLYKNWFPYKJJ-SJORKVTESA-N 2 2 318.461 3.053 20 30 DGEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)c2cccc(C[NH+](C)C)c2)CC1 ZINC000820810252 628299237 /nfs/dbraw/zinc/29/92/37/628299237.db2.gz SPDMEASSIDFZBR-INIZCTEOSA-N 3 2 301.478 3.049 20 30 DGEDLP C=C(C)CNC(=[NH2+])NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000849054135 631820223 /nfs/dbraw/zinc/82/02/23/631820223.db2.gz IRJWOJSPTWDHBS-MRXNPFEDSA-N 2 2 320.868 3.167 20 30 DGEDLP C=C(C)C[NH2+][C@@H]1CCC[C@@H](NC(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC000981235946 656655543 /nfs/dbraw/zinc/65/55/43/656655543.db2.gz TYOQGZRTRJFPBS-IAGOWNOFSA-N 2 2 315.461 3.214 20 30 DGEDLP C=CCCC[C@@H]([NH3+])C(=O)Nc1ccc(-c2[nH]c(C)c(C)[nH+]2)cc1 ZINC001358052417 1181450556 /nfs/dbraw/zinc/45/05/56/1181450556.db2.gz ORWIEPRNGJGUIG-MRXNPFEDSA-N 2 2 312.417 3.316 20 30 DGEDLP C=CCC[NH2+][C@H](C)[C@H]1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001501058991 1185863370 /nfs/dbraw/zinc/86/33/70/1185863370.db2.gz UQHBUHJGPNBUOV-WBVHZDCISA-N 2 2 315.461 3.023 20 30 DGEDLP CCCCCCCC[NH+]1CCC(C(N)=O)([NH+]2CCCCC2)CC1 ZINC001620541049 1193778422 /nfs/dbraw/zinc/77/84/22/1193778422.db2.gz HBEITZYHDFDDRH-UHFFFAOYSA-N 2 2 323.525 3.153 20 30 DGEDLP C#Cc1ccc(C[NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)cc1 ZINC001620714773 1193794667 /nfs/dbraw/zinc/79/46/67/1193794667.db2.gz NUSAGUBYAVMRAX-UHFFFAOYSA-N 2 2 301.393 3.203 20 30 DGEDLP C=CC[NH+]1CCC([NH2+][C@H]2CCCc3c(cccc3OC)C2)CC1 ZINC001657104714 1196106310 /nfs/dbraw/zinc/10/63/10/1196106310.db2.gz BEQKBHCTGSVQKP-SFHVURJKSA-N 2 2 314.473 3.183 20 30 DGEDLP C=CCC[C@H](C)[N@H+](C)[C@@H](C)CNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001674964979 1197937550 /nfs/dbraw/zinc/93/75/50/1197937550.db2.gz HHIUEMXAYLSCOK-HOTGVXAUSA-N 2 2 317.477 3.412 20 30 DGEDLP C=CCC[C@H](C)[N@@H+](C)[C@@H](C)CNC(=O)c1c(C)cc(C)[nH+]c1C ZINC001674964979 1197937558 /nfs/dbraw/zinc/93/75/58/1197937558.db2.gz HHIUEMXAYLSCOK-HOTGVXAUSA-N 2 2 317.477 3.412 20 30 DGEDLP Cc1ccc(NC(=[NH2+])NC[C@@H](c2ccc(C)cc2)[NH+](C)C)cc1 ZINC000303898415 1199601483 /nfs/dbraw/zinc/60/14/83/1199601483.db2.gz VNBSLCXBOOESLD-SFHVURJKSA-N 2 2 310.445 3.333 20 30 DGEDLP