smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c(C)nn1 ZINC000720616094 1093873745 /nfs/dbraw/zinc/87/37/45/1093873745.db2.gz OLRTXQIMFFUMTO-FOIQADDNSA-N 2 1 324.472 3.094 10 0 DGAEMP Cc1cc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)c(C)nn1 ZINC000720616094 1093873751 /nfs/dbraw/zinc/87/37/51/1093873751.db2.gz OLRTXQIMFFUMTO-FOIQADDNSA-N 2 1 324.472 3.094 10 0 DGAEMP Cc1cc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c(C)nn1 ZINC000720616098 1093874282 /nfs/dbraw/zinc/87/42/82/1093874282.db2.gz OLRTXQIMFFUMTO-YWZLYKJASA-N 2 1 324.472 3.094 10 0 DGAEMP Cc1cc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)c(C)nn1 ZINC000720616098 1093874285 /nfs/dbraw/zinc/87/42/85/1093874285.db2.gz OLRTXQIMFFUMTO-YWZLYKJASA-N 2 1 324.472 3.094 10 0 DGAEMP C[C@@H]1[C@@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CO[C@H]1C ZINC000405805829 1094436842 /nfs/dbraw/zinc/43/68/42/1094436842.db2.gz WNEPRNOMJJAEFV-AKKLJKOSSA-N 2 1 302.462 3.053 10 0 DGAEMP C[C@@H]1[C@@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CO[C@H]1C ZINC000405805829 1094436856 /nfs/dbraw/zinc/43/68/56/1094436856.db2.gz WNEPRNOMJJAEFV-AKKLJKOSSA-N 2 1 302.462 3.053 10 0 DGAEMP COC[C@H](C[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(C)C ZINC000721936589 1098192032 /nfs/dbraw/zinc/19/20/32/1098192032.db2.gz CKFOKCPIOJGART-IHPCNDPISA-N 2 1 318.505 3.405 10 0 DGAEMP C[N@@H+]1CC[C@@H](C[NH2+]Cc2cccc3[nH]ccc32)[C@@H]1c1cccnc1 ZINC000328634044 529794011 /nfs/dbraw/zinc/79/40/11/529794011.db2.gz MKVNDLGQYDCZJX-PXNSSMCTSA-N 2 1 320.440 3.346 10 0 DGAEMP C[N@H+]1CC[C@@H](C[NH2+]Cc2cccc3[nH]ccc32)[C@@H]1c1cccnc1 ZINC000328634044 529794012 /nfs/dbraw/zinc/79/40/12/529794012.db2.gz MKVNDLGQYDCZJX-PXNSSMCTSA-N 2 1 320.440 3.346 10 0 DGAEMP CN1CCC[C@H]1CC[N@H+]1CCC[C@@H]1CC(=O)c1ccc(F)cc1 ZINC000130296502 432020501 /nfs/dbraw/zinc/02/05/01/432020501.db2.gz SEJDRVBSSNKDBF-ZWKOTPCHSA-N 2 1 318.436 3.347 10 0 DGAEMP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC[C@@H]1CC(=O)c1ccc(F)cc1 ZINC000130296502 432020503 /nfs/dbraw/zinc/02/05/03/432020503.db2.gz SEJDRVBSSNKDBF-ZWKOTPCHSA-N 2 1 318.436 3.347 10 0 DGAEMP C[NH+]1CCC[C@H]1CC[N@H+]1CCC[C@@H]1CC(=O)c1ccc(F)cc1 ZINC000130296502 432020509 /nfs/dbraw/zinc/02/05/09/432020509.db2.gz SEJDRVBSSNKDBF-ZWKOTPCHSA-N 2 1 318.436 3.347 10 0 DGAEMP Cc1ncsc1CC[N@@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000172531954 198110902 /nfs/dbraw/zinc/11/09/02/198110902.db2.gz UTXGPQMVKOOFNT-OAHLLOKOSA-N 2 1 316.474 3.131 10 0 DGAEMP Cc1ncsc1CC[N@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000172531954 198110904 /nfs/dbraw/zinc/11/09/04/198110904.db2.gz UTXGPQMVKOOFNT-OAHLLOKOSA-N 2 1 316.474 3.131 10 0 DGAEMP Cc1[nH+]ccn1CCCC[N@@H+](C)CCOc1ccc(C)cc1 ZINC000163568835 432036803 /nfs/dbraw/zinc/03/68/03/432036803.db2.gz UCHJRBIBMRRQQB-UHFFFAOYSA-N 2 1 301.434 3.291 10 0 DGAEMP Cc1[nH+]ccn1CCCC[N@H+](C)CCOc1ccc(C)cc1 ZINC000163568835 432036807 /nfs/dbraw/zinc/03/68/07/432036807.db2.gz UCHJRBIBMRRQQB-UHFFFAOYSA-N 2 1 301.434 3.291 10 0 DGAEMP C[N@H+]1CCC[C@H]1CCN1CCc2cccc(Br)c2C1 ZINC000179442184 432058431 /nfs/dbraw/zinc/05/84/31/432058431.db2.gz OQLVWUOLKSDZGH-AWEZNQCLSA-N 2 1 323.278 3.292 10 0 DGAEMP CCC[N@@H+](Cc1cc(F)cc2cccnc21)C1CC[NH2+]CC1 ZINC000261705669 283292737 /nfs/dbraw/zinc/29/27/37/283292737.db2.gz OSXLOIINRGKBCU-UHFFFAOYSA-N 2 1 301.409 3.338 10 0 DGAEMP C[C@H]1C[C@@H]([NH2+]CCc2coc(-c3ccc(F)cc3)n2)CC[N@H+]1C ZINC000179454944 199038513 /nfs/dbraw/zinc/03/85/13/199038513.db2.gz NOVYGLISCXYFGQ-BBRMVZONSA-N 2 1 317.408 3.096 10 0 DGAEMP O[C@@H]1CCCC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000180139517 199122017 /nfs/dbraw/zinc/12/20/17/199122017.db2.gz QKUOVHRDXZAMTG-OLPBJYBYSA-N 2 1 314.473 3.075 10 0 DGAEMP Cc1cc(C[N@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)ccc1Cl ZINC000180431409 432086705 /nfs/dbraw/zinc/08/67/05/432086705.db2.gz FEGRFBNVWWYLFR-HNNXBMFYSA-N 2 1 324.896 3.173 10 0 DGAEMP COc1ccc2oc(C[N@H+]3CC[C@@H]4[C@@H](CCC[NH+]4C)C3)cc2c1 ZINC000246134943 432098262 /nfs/dbraw/zinc/09/82/62/432098262.db2.gz KZXQKXQGZOTOCH-KBXCAEBGSA-N 2 1 314.429 3.358 10 0 DGAEMP COc1ccc2oc(C[NH+]3CC[C@@H]4[C@@H](CCC[N@@H+]4C)C3)cc2c1 ZINC000246134943 432098268 /nfs/dbraw/zinc/09/82/68/432098268.db2.gz KZXQKXQGZOTOCH-KBXCAEBGSA-N 2 1 314.429 3.358 10 0 DGAEMP COc1ccc2oc(C[NH+]3CC[C@@H]4[C@@H](CCC[N@H+]4C)C3)cc2c1 ZINC000246134943 432098274 /nfs/dbraw/zinc/09/82/74/432098274.db2.gz KZXQKXQGZOTOCH-KBXCAEBGSA-N 2 1 314.429 3.358 10 0 DGAEMP C[C@@H]1C[C@H]([NH+](C)Cc2ccc3c(c2)CC(C)(C)O3)CC[N@@H+]1C ZINC000093644203 193281630 /nfs/dbraw/zinc/28/16/30/193281630.db2.gz MTYJSYIKNXHQHZ-RHSMWYFYSA-N 2 1 302.462 3.315 10 0 DGAEMP C[C@@H]1C[C@H]([NH+](C)Cc2ccc3c(c2)CC(C)(C)O3)CC[N@H+]1C ZINC000093644203 193281631 /nfs/dbraw/zinc/28/16/31/193281631.db2.gz MTYJSYIKNXHQHZ-RHSMWYFYSA-N 2 1 302.462 3.315 10 0 DGAEMP C[C@@H]1C[C@H]([N@H+](C)Cc2ccc3c(c2)CC(C)(C)O3)CC[NH+]1C ZINC000093644203 193281633 /nfs/dbraw/zinc/28/16/33/193281633.db2.gz MTYJSYIKNXHQHZ-RHSMWYFYSA-N 2 1 302.462 3.315 10 0 DGAEMP C[C@@H]1C[C@H]([N@@H+](C)Cc2ccc3c(c2)CC(C)(C)O3)CC[NH+]1C ZINC000093644203 193281635 /nfs/dbraw/zinc/28/16/35/193281635.db2.gz MTYJSYIKNXHQHZ-RHSMWYFYSA-N 2 1 302.462 3.315 10 0 DGAEMP c1cn(-c2ccccc2)nc1C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000171296121 432120959 /nfs/dbraw/zinc/12/09/59/432120959.db2.gz SPQJAJMEKVRIAT-UHFFFAOYSA-N 2 1 324.472 3.180 10 0 DGAEMP Cc1cccc(C)c1OCCC[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000123408445 284238053 /nfs/dbraw/zinc/23/80/53/284238053.db2.gz KDWXSDRXSZMKTI-QZTJIDSGSA-N 2 1 304.478 3.487 10 0 DGAEMP Cc1cccc(C)c1OCCC[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000123408445 284238055 /nfs/dbraw/zinc/23/80/55/284238055.db2.gz KDWXSDRXSZMKTI-QZTJIDSGSA-N 2 1 304.478 3.487 10 0 DGAEMP Cc1cccc(C)c1OCCC[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000123408445 284238056 /nfs/dbraw/zinc/23/80/56/284238056.db2.gz KDWXSDRXSZMKTI-QZTJIDSGSA-N 2 1 304.478 3.487 10 0 DGAEMP Cc1cccc(C)c1OCCC[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000123408445 284238058 /nfs/dbraw/zinc/23/80/58/284238058.db2.gz KDWXSDRXSZMKTI-QZTJIDSGSA-N 2 1 304.478 3.487 10 0 DGAEMP C[C@H]1C[C@@H](N(C)Cc2ncc(-c3ccc(F)cc3)o2)CC[N@H+]1C ZINC000123596637 284241622 /nfs/dbraw/zinc/24/16/22/284241622.db2.gz FXHLTIPHBHMRHV-BBRMVZONSA-N 2 1 317.408 3.395 10 0 DGAEMP Cc1cccc(C)c1NC(=O)CCC[NH+]1CCC([NH+](C)C)CC1 ZINC000127831444 284353279 /nfs/dbraw/zinc/35/32/79/284353279.db2.gz WLWPSYLTYVJGBG-UHFFFAOYSA-N 2 1 317.477 3.048 10 0 DGAEMP CC[C@H]([NH3+])[C@@H](c1cccc(Br)c1)n1cc[nH+]c1C ZINC000043022063 183329369 /nfs/dbraw/zinc/32/93/69/183329369.db2.gz KDQJLYSNYXAIEW-UONOGXRCSA-N 2 1 308.223 3.281 10 0 DGAEMP CC[C@H]([NH3+])[C@H](c1ccccc1Br)n1cc[nH+]c1C ZINC000043093690 183336488 /nfs/dbraw/zinc/33/64/88/183336488.db2.gz OKGJRGDIFNOQIE-KBPBESRZSA-N 2 1 308.223 3.281 10 0 DGAEMP Cc1cc(C)c(C[N@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)c(C)c1 ZINC000106124215 194188493 /nfs/dbraw/zinc/18/84/93/194188493.db2.gz GAPBOWMJJLRPSD-SFHVURJKSA-N 2 1 318.505 3.136 10 0 DGAEMP CC1=CCC[C@H](C)[C@H]1C[N@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000249056810 285050475 /nfs/dbraw/zinc/05/04/75/285050475.db2.gz GZLYGCRGVSCNCX-LNLFQRSKSA-N 2 1 308.510 3.003 10 0 DGAEMP C[C@H]([NH2+]C[C@@H](O)C1CCCCC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000249129891 285058547 /nfs/dbraw/zinc/05/85/47/285058547.db2.gz USPIEEITWOSUPT-KVSKMBFKSA-N 2 1 308.510 3.170 10 0 DGAEMP C[C@@H]([NH2+][C@H]1C[C@@H](C)O[C@H]1C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000295615545 533549177 /nfs/dbraw/zinc/54/91/77/533549177.db2.gz DOCKJICIEHVXDA-VYDRJQSISA-N 2 1 302.462 3.053 10 0 DGAEMP CC[C@H](c1ccc(Br)cc1)[N@H+]1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000631839300 401560110 /nfs/dbraw/zinc/56/01/10/401560110.db2.gz DEFADDWIRHXTCU-CORIIIEPSA-N 2 1 311.267 3.427 10 0 DGAEMP C([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)C(C1CCC1)C1CCC1 ZINC000624038534 401616789 /nfs/dbraw/zinc/61/67/89/401616789.db2.gz LEVUMCDVKDTEMG-SFHVURJKSA-N 2 1 306.494 3.046 10 0 DGAEMP Cc1[nH+]ccn1CCCC[N@@H+]1CC2(CCCC2)OC(C)(C)C1 ZINC000190987901 165224456 /nfs/dbraw/zinc/22/44/56/165224456.db2.gz YKIGIVKZLQAHQD-UHFFFAOYSA-N 2 1 305.466 3.395 10 0 DGAEMP Cc1[nH+]ccn1CCCC[N@H+]1CC2(CCCC2)OC(C)(C)C1 ZINC000190987901 165224457 /nfs/dbraw/zinc/22/44/57/165224457.db2.gz YKIGIVKZLQAHQD-UHFFFAOYSA-N 2 1 305.466 3.395 10 0 DGAEMP C[C@@]1(C[N@H+]2CCC[C@@H](c3nc4c(s3)CCCC4)C2)CC[NH2+]C1 ZINC000262020592 165777270 /nfs/dbraw/zinc/77/72/70/165777270.db2.gz NCCYIGGDZMVJBG-RDTXWAMCSA-N 2 1 319.518 3.201 10 0 DGAEMP CCCC[N@@H+](C)CC1CC[NH+](C[C@H](O)CC2CCCC2)CC1 ZINC000190405789 432152944 /nfs/dbraw/zinc/15/29/44/432152944.db2.gz XEDSDPAJQVYEOX-LJQANCHMSA-N 2 1 310.526 3.372 10 0 DGAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CCCCC(=O)OC(C)(C)C ZINC000181956729 432153401 /nfs/dbraw/zinc/15/34/01/432153401.db2.gz XLSPETFEZTUFJB-INIZCTEOSA-N 2 1 321.465 3.168 10 0 DGAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CCCCC(=O)OC(C)(C)C ZINC000181956729 432153405 /nfs/dbraw/zinc/15/34/05/432153405.db2.gz XLSPETFEZTUFJB-INIZCTEOSA-N 2 1 321.465 3.168 10 0 DGAEMP CC[C@H]([NH2+]Cc1ccc(C[NH+]2CCCC2)cc1)c1nccn1C ZINC000182238931 432170568 /nfs/dbraw/zinc/17/05/68/432170568.db2.gz TZDUQRFSMXLEPU-SFHVURJKSA-N 2 1 312.461 3.257 10 0 DGAEMP CCOc1ccccc1OCC[N@@H+](C)[C@H]1CC[NH+](CC)C[C@@H]1C ZINC000246996482 432189170 /nfs/dbraw/zinc/18/91/70/432189170.db2.gz KSKQTFXQIXPDMI-IRXDYDNUSA-N 2 1 320.477 3.126 10 0 DGAEMP CCOc1ccccc1OCC[NH+](C)[C@H]1CC[N@H+](CC)C[C@@H]1C ZINC000246996482 432189174 /nfs/dbraw/zinc/18/91/74/432189174.db2.gz KSKQTFXQIXPDMI-IRXDYDNUSA-N 2 1 320.477 3.126 10 0 DGAEMP CCOc1ccccc1OCC[NH+](C)[C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000246996482 432189178 /nfs/dbraw/zinc/18/91/78/432189178.db2.gz KSKQTFXQIXPDMI-IRXDYDNUSA-N 2 1 320.477 3.126 10 0 DGAEMP c1cc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc2c1OCC2 ZINC000247230872 432212448 /nfs/dbraw/zinc/21/24/48/432212448.db2.gz WHPKRZNCPOJWSZ-HKUYNNGSSA-N 2 1 312.457 3.070 10 0 DGAEMP c1cc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc2c1OCC2 ZINC000247230872 432212451 /nfs/dbraw/zinc/21/24/51/432212451.db2.gz WHPKRZNCPOJWSZ-HKUYNNGSSA-N 2 1 312.457 3.070 10 0 DGAEMP c1cc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc2c1OCC2 ZINC000247230872 432212452 /nfs/dbraw/zinc/21/24/52/432212452.db2.gz WHPKRZNCPOJWSZ-HKUYNNGSSA-N 2 1 312.457 3.070 10 0 DGAEMP CC[NH+]1CC[C@@H]([N@H+](C)CCCOCCc2ccccc2)[C@@H](C)C1 ZINC000247237969 432214814 /nfs/dbraw/zinc/21/48/14/432214814.db2.gz SPQBKGSYYNJRGQ-AZUAARDMSA-N 2 1 318.505 3.298 10 0 DGAEMP CC[NH+]1CC[C@@H]([N@@H+](C)CCCOCCc2ccccc2)[C@@H](C)C1 ZINC000247237969 432214818 /nfs/dbraw/zinc/21/48/18/432214818.db2.gz SPQBKGSYYNJRGQ-AZUAARDMSA-N 2 1 318.505 3.298 10 0 DGAEMP Cn1cc[nH+]c1CC1CC[NH+](CCCc2cccc(F)c2)CC1 ZINC000182755405 432225872 /nfs/dbraw/zinc/22/58/72/432225872.db2.gz VPFGUIFICGSWHJ-UHFFFAOYSA-N 2 1 315.436 3.447 10 0 DGAEMP CCCC[N@@H+](C)CC1CC[NH+]([C@H]2Cc3ccccc3[C@H]2O)CC1 ZINC000247402458 432227847 /nfs/dbraw/zinc/22/78/47/432227847.db2.gz LZGUWENFPGNXGE-VQTJNVASSA-N 2 1 316.489 3.089 10 0 DGAEMP COc1ccc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000247297257 432220239 /nfs/dbraw/zinc/22/02/39/432220239.db2.gz ZLPZRSAMGZCTCI-QFBILLFUSA-N 2 1 300.446 3.144 10 0 DGAEMP COc1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000247297257 432220242 /nfs/dbraw/zinc/22/02/42/432220242.db2.gz ZLPZRSAMGZCTCI-QFBILLFUSA-N 2 1 300.446 3.144 10 0 DGAEMP COc1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000247297257 432220247 /nfs/dbraw/zinc/22/02/47/432220247.db2.gz ZLPZRSAMGZCTCI-QFBILLFUSA-N 2 1 300.446 3.144 10 0 DGAEMP COC(C)(C)CC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000346613312 264065306 /nfs/dbraw/zinc/06/53/06/264065306.db2.gz MFDODRNYTIMEOU-WMZOPIPTSA-N 2 1 304.478 3.302 10 0 DGAEMP C[C@H]1C[C@H]([NH+](C)Cc2ccc(OCC3CC3)cc2)CC[N@@H+]1C ZINC000191398831 432259924 /nfs/dbraw/zinc/25/99/24/432259924.db2.gz LDZCOHBVUIFQKC-MAUKXSAKSA-N 2 1 302.462 3.390 10 0 DGAEMP C[C@H]1C[C@H]([NH+](C)Cc2ccc(OCC3CC3)cc2)CC[N@H+]1C ZINC000191398831 432259931 /nfs/dbraw/zinc/25/99/31/432259931.db2.gz LDZCOHBVUIFQKC-MAUKXSAKSA-N 2 1 302.462 3.390 10 0 DGAEMP C[C@H]1C[C@H]([N@H+](C)Cc2ccc(OCC3CC3)cc2)CC[NH+]1C ZINC000191398831 432259938 /nfs/dbraw/zinc/25/99/38/432259938.db2.gz LDZCOHBVUIFQKC-MAUKXSAKSA-N 2 1 302.462 3.390 10 0 DGAEMP C[C@H]1C[C@H]([N@@H+](C)Cc2ccc(OCC3CC3)cc2)CC[NH+]1C ZINC000191398831 432259943 /nfs/dbraw/zinc/25/99/43/432259943.db2.gz LDZCOHBVUIFQKC-MAUKXSAKSA-N 2 1 302.462 3.390 10 0 DGAEMP CC[NH+](CC)CCC[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCO2 ZINC000191477810 279094524 /nfs/dbraw/zinc/09/45/24/279094524.db2.gz FARRMZZTDFCEER-MRXNPFEDSA-N 2 1 304.434 3.284 10 0 DGAEMP CC[NH+](CC)CCC[N@H+]1CCC[C@@H]1c1ccc2c(c1)OCO2 ZINC000191477810 279094525 /nfs/dbraw/zinc/09/45/25/279094525.db2.gz FARRMZZTDFCEER-MRXNPFEDSA-N 2 1 304.434 3.284 10 0 DGAEMP Cc1cccc([C@H](C)[NH+]2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)c1 ZINC000075718643 431497030 /nfs/dbraw/zinc/49/70/30/431497030.db2.gz MNNUNZBIXLIRJG-ICSRJNTNSA-N 2 1 315.505 3.158 10 0 DGAEMP CCOc1ccccc1OCC[N@@H+](C)[C@@H]1CC[NH+](CC)C[C@H]1C ZINC000079461099 431726936 /nfs/dbraw/zinc/72/69/36/431726936.db2.gz KSKQTFXQIXPDMI-IAGOWNOFSA-N 2 1 320.477 3.126 10 0 DGAEMP CCOc1ccccc1OCC[NH+](C)[C@@H]1CC[N@H+](CC)C[C@H]1C ZINC000079461099 431726943 /nfs/dbraw/zinc/72/69/43/431726943.db2.gz KSKQTFXQIXPDMI-IAGOWNOFSA-N 2 1 320.477 3.126 10 0 DGAEMP CCOc1ccccc1OCC[NH+](C)[C@@H]1CC[N@@H+](CC)C[C@H]1C ZINC000079461099 431726951 /nfs/dbraw/zinc/72/69/51/431726951.db2.gz KSKQTFXQIXPDMI-IAGOWNOFSA-N 2 1 320.477 3.126 10 0 DGAEMP Clc1cccc(OCC[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)c1 ZINC000037917795 431851831 /nfs/dbraw/zinc/85/18/31/431851831.db2.gz AMJXMXUKNMAIPU-PBHICJAKSA-N 2 1 308.853 3.183 10 0 DGAEMP CC(C)c1cccc(NC(=O)CN(C)[C@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000123318618 431861446 /nfs/dbraw/zinc/86/14/46/431861446.db2.gz BYELZIVVEDMYKO-QAPCUYQASA-N 2 1 317.477 3.163 10 0 DGAEMP C[C@@H]1C[C@@H]([N@@H+](C)CCCOCCc2ccccc2)CCN1C ZINC000123643455 431871027 /nfs/dbraw/zinc/87/10/27/431871027.db2.gz SLDANLNCGWOLPM-MJGOQNOKSA-N 2 1 304.478 3.050 10 0 DGAEMP C[C@@H]1C[C@@H]([NH+](C)CCCOCCc2ccccc2)CC[N@@H+]1C ZINC000123643455 431871030 /nfs/dbraw/zinc/87/10/30/431871030.db2.gz SLDANLNCGWOLPM-MJGOQNOKSA-N 2 1 304.478 3.050 10 0 DGAEMP C[C@@H]1C[C@@H]([NH+](C)CCCOCCc2ccccc2)CC[N@H+]1C ZINC000123643455 431871033 /nfs/dbraw/zinc/87/10/33/431871033.db2.gz SLDANLNCGWOLPM-MJGOQNOKSA-N 2 1 304.478 3.050 10 0 DGAEMP C[C@@H]1C[C@@H]([N@H+](C)CCCOCCc2ccccc2)CC[NH+]1C ZINC000123643455 431871034 /nfs/dbraw/zinc/87/10/34/431871034.db2.gz SLDANLNCGWOLPM-MJGOQNOKSA-N 2 1 304.478 3.050 10 0 DGAEMP C[C@@H]1C[C@@H]([N@@H+](C)CCCOCCc2ccccc2)CC[NH+]1C ZINC000123643455 431871037 /nfs/dbraw/zinc/87/10/37/431871037.db2.gz SLDANLNCGWOLPM-MJGOQNOKSA-N 2 1 304.478 3.050 10 0 DGAEMP Cc1cnn(CC[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)c1 ZINC000123866532 431877348 /nfs/dbraw/zinc/87/73/48/431877348.db2.gz LTEBHDDFUTYJOR-HNNXBMFYSA-N 2 1 309.417 3.036 10 0 DGAEMP Cc1cccc(N2CCC([NH2+][C@@H](C)c3cncc(F)c3)CC2)[nH+]1 ZINC000128203804 431989790 /nfs/dbraw/zinc/98/97/90/431989790.db2.gz JGBXGVQJCKKXGR-AWEZNQCLSA-N 2 1 314.408 3.244 10 0 DGAEMP CC[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)c1cccc(Cl)c1 ZINC000173345743 432274019 /nfs/dbraw/zinc/27/40/19/432274019.db2.gz CFBQPKNWXKLXHM-DLBZAZTESA-N 2 1 310.869 3.228 10 0 DGAEMP COc1ccc([C@@H]2C[C@H](C)[N@@H+](CC[C@H]3CCC[NH+]3C)C2)cc1 ZINC000248038476 432263108 /nfs/dbraw/zinc/26/31/08/432263108.db2.gz LQUVQBDPORZHAH-CGTJXYLNSA-N 2 1 302.462 3.357 10 0 DGAEMP COc1ccc([C@@H]2C[C@H](C)[NH+](CC[C@H]3CCC[N@@H+]3C)C2)cc1 ZINC000248038476 432263110 /nfs/dbraw/zinc/26/31/10/432263110.db2.gz LQUVQBDPORZHAH-CGTJXYLNSA-N 2 1 302.462 3.357 10 0 DGAEMP COc1ccc([C@@H]2C[C@H](C)[NH+](CC[C@H]3CCC[N@H+]3C)C2)cc1 ZINC000248038476 432263114 /nfs/dbraw/zinc/26/31/14/432263114.db2.gz LQUVQBDPORZHAH-CGTJXYLNSA-N 2 1 302.462 3.357 10 0 DGAEMP Cc1cccc(NC[C@H]2CCN(Cc3cnc(Cl)s3)C2)n1 ZINC000175421066 432433508 /nfs/dbraw/zinc/43/35/08/432433508.db2.gz OBLSSFUPTLHLMH-GFCCVEGCSA-N 2 1 322.865 3.434 10 0 DGAEMP C[N@H+](Cc1ccc(C(F)(F)F)s1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000261772176 432449590 /nfs/dbraw/zinc/44/95/90/432449590.db2.gz DTJWWUAMCCIVOQ-ZACCUICWSA-N 2 1 304.381 3.482 10 0 DGAEMP C[N@@H+](Cc1ccc(C(F)(F)F)s1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000261772176 432449594 /nfs/dbraw/zinc/44/95/94/432449594.db2.gz DTJWWUAMCCIVOQ-ZACCUICWSA-N 2 1 304.381 3.482 10 0 DGAEMP Cc1ccc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)c(-c2cnn(C)c2)c1 ZINC000261796144 432450353 /nfs/dbraw/zinc/45/03/53/432450353.db2.gz GPVDPIDOPTZZQR-DFNIBXOVSA-N 2 1 324.472 3.110 10 0 DGAEMP COc1cc([C@H](C)[NH2+]C[C@@H](C)Cn2cc[nH+]c2C)ccc1F ZINC000153586369 432422809 /nfs/dbraw/zinc/42/28/09/432422809.db2.gz WLALBZIUCJBWPL-OLZOCXBDSA-N 2 1 305.397 3.326 10 0 DGAEMP Cc1cc(C[N@H+](Cc2ccsc2)[C@@H]2CC23CC[NH2+]CC3)on1 ZINC000262127940 432474744 /nfs/dbraw/zinc/47/47/44/432474744.db2.gz NHYWETKXDUYCAB-MRXNPFEDSA-N 2 1 317.458 3.189 10 0 DGAEMP Cc1cc(C[N@@H+](Cc2ccsc2)[C@@H]2CC23CC[NH2+]CC3)on1 ZINC000262127940 432474749 /nfs/dbraw/zinc/47/47/49/432474749.db2.gz NHYWETKXDUYCAB-MRXNPFEDSA-N 2 1 317.458 3.189 10 0 DGAEMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1cnc(-c2ccccc2)[nH]1 ZINC000175991305 432484127 /nfs/dbraw/zinc/48/41/27/432484127.db2.gz LBCXYPZLBWJWNQ-CQSZACIVSA-N 2 1 309.417 3.008 10 0 DGAEMP C[C@@]1(C[N@H+]2CCC[C@H](COc3ccccc3Cl)C2)CC[NH2+]C1 ZINC000261924611 432461938 /nfs/dbraw/zinc/46/19/38/432461938.db2.gz BZUFAFRMPPOAOV-MAUKXSAKSA-N 2 1 322.880 3.430 10 0 DGAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CCOc1cc(C)ccc1C ZINC000178292435 432716494 /nfs/dbraw/zinc/71/64/94/432716494.db2.gz DKSXGDWYQNYUQH-SFHVURJKSA-N 2 1 313.445 3.352 10 0 DGAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CCOc1cc(C)ccc1C ZINC000178292435 432716499 /nfs/dbraw/zinc/71/64/99/432716499.db2.gz DKSXGDWYQNYUQH-SFHVURJKSA-N 2 1 313.445 3.352 10 0 DGAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CCOc1cccc(Cl)c1 ZINC000178332446 432722971 /nfs/dbraw/zinc/72/29/71/432722971.db2.gz LILGMPWBKBHMNV-MRXNPFEDSA-N 2 1 319.836 3.388 10 0 DGAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1CCOc1cccc(Cl)c1 ZINC000178332446 432722974 /nfs/dbraw/zinc/72/29/74/432722974.db2.gz LILGMPWBKBHMNV-MRXNPFEDSA-N 2 1 319.836 3.388 10 0 DGAEMP CC[N@H+]1CC[C@@H]([NH2+]CCc2cn(C)c3cc(C)ccc23)[C@H](C)C1 ZINC000188699512 432741204 /nfs/dbraw/zinc/74/12/04/432741204.db2.gz QJVZDHXGTLPLGD-VQIMIIECSA-N 2 1 313.489 3.349 10 0 DGAEMP CC1(C)OCC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000340234613 434003050 /nfs/dbraw/zinc/00/30/50/434003050.db2.gz ASVLMKYIRIXBOC-IPQPSQTFSA-N 2 1 314.473 3.339 10 0 DGAEMP COC[C@H](N[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C)c1ccccc1 ZINC000389868533 434350883 /nfs/dbraw/zinc/35/08/83/434350883.db2.gz NKWJXMDXFGGNRA-WMQCIHAUSA-N 2 1 324.468 3.484 10 0 DGAEMP COC[C@H](N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C)c1ccccc1 ZINC000389868533 434350888 /nfs/dbraw/zinc/35/08/88/434350888.db2.gz NKWJXMDXFGGNRA-WMQCIHAUSA-N 2 1 324.468 3.484 10 0 DGAEMP C[C@]1(CN[C@@H]2CCCC[C@@H]2C[NH3+])CCC[N@@H+]1Cc1ccccc1 ZINC000397923058 434446624 /nfs/dbraw/zinc/44/66/24/434446624.db2.gz PJKVFQWIEYVVBM-VAMGGRTRSA-N 2 1 315.505 3.148 10 0 DGAEMP C[C@]1(CN[C@@H]2CCCC[C@@H]2C[NH3+])CCC[N@H+]1Cc1ccccc1 ZINC000397923058 434446634 /nfs/dbraw/zinc/44/66/34/434446634.db2.gz PJKVFQWIEYVVBM-VAMGGRTRSA-N 2 1 315.505 3.148 10 0 DGAEMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)[C@H](C)O1 ZINC000295677312 434430569 /nfs/dbraw/zinc/43/05/69/434430569.db2.gz KPKWGNIJDKHJCH-CTRAYCPCSA-N 2 1 302.462 3.195 10 0 DGAEMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)[C@H](C)O1 ZINC000295677312 434430579 /nfs/dbraw/zinc/43/05/79/434430579.db2.gz KPKWGNIJDKHJCH-CTRAYCPCSA-N 2 1 302.462 3.195 10 0 DGAEMP C[C@@H]([NH2+]Cc1ccccc1OCc1ccccc1)[C@H]1CC[NH2+]C1 ZINC000400750538 434491542 /nfs/dbraw/zinc/49/15/42/434491542.db2.gz MTDVWQMUELMAAC-AEFFLSMTSA-N 2 1 310.441 3.353 10 0 DGAEMP COC1(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)CCCC1 ZINC000398008969 434449514 /nfs/dbraw/zinc/44/95/14/434449514.db2.gz AKJNJMRITFJJJI-MJGOQNOKSA-N 2 1 316.489 3.446 10 0 DGAEMP c1ccc(OCCCC[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000526123412 295059773 /nfs/dbraw/zinc/05/97/73/295059773.db2.gz DTBGPQUMMCDDRN-SFHVURJKSA-N 2 1 302.462 3.263 10 0 DGAEMP CC[N@@H+](CCN[C@@H]1CC[NH+](Cc2ccccc2)C[C@@H]1C)C(C)C ZINC000360928773 434734345 /nfs/dbraw/zinc/73/43/45/434734345.db2.gz CBPVZUCBRQMHGT-AZUAARDMSA-N 2 1 317.521 3.217 10 0 DGAEMP CC[NH+](CCN[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)C(C)C ZINC000360928773 434734352 /nfs/dbraw/zinc/73/43/52/434734352.db2.gz CBPVZUCBRQMHGT-AZUAARDMSA-N 2 1 317.521 3.217 10 0 DGAEMP c1cc(C[N@H+]2CCOCC3(CC3)C2)ccc1C[NH+]1CCCCC1 ZINC000411502662 434790705 /nfs/dbraw/zinc/79/07/05/434790705.db2.gz JHBKSDUIJCMNHM-UHFFFAOYSA-N 2 1 314.473 3.285 10 0 DGAEMP c1cc(C[N@H+]2C[C@@H]3C[C@H]2CS3)cc(C[NH+]2CCCCC2)c1 ZINC000411826705 434832336 /nfs/dbraw/zinc/83/23/36/434832336.db2.gz XTRDQGCOWCWKJH-ROUUACIJSA-N 2 1 302.487 3.362 10 0 DGAEMP COCC(C)(C)C[NH2+]C[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000494100677 435193050 /nfs/dbraw/zinc/19/30/50/435193050.db2.gz YOXQJBYQTSTFSC-GDBMZVCRSA-N 2 1 310.507 3.393 10 0 DGAEMP COCC(C)(C)C[NH2+]C[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000494100677 435193052 /nfs/dbraw/zinc/19/30/52/435193052.db2.gz YOXQJBYQTSTFSC-GDBMZVCRSA-N 2 1 310.507 3.393 10 0 DGAEMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C[C@@](C)(O)C(C)C)cc1 ZINC000178118281 312786506 /nfs/dbraw/zinc/78/65/06/312786506.db2.gz FWEZEUKOCKLTNJ-RDTXWAMCSA-N 2 1 301.434 3.238 10 0 DGAEMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cccc(OC(F)F)c2)[C@H](C)C1 ZINC000081095037 500689671 /nfs/dbraw/zinc/68/96/71/500689671.db2.gz OTFUGJJMGUYUBN-CZUORRHYSA-N 2 1 312.404 3.450 10 0 DGAEMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cccc(OC(F)F)c2)[C@H](C)C1 ZINC000081095037 500689674 /nfs/dbraw/zinc/68/96/74/500689674.db2.gz OTFUGJJMGUYUBN-CZUORRHYSA-N 2 1 312.404 3.450 10 0 DGAEMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cccc(OC(F)F)c2)[C@H](C)C1 ZINC000081095037 500689677 /nfs/dbraw/zinc/68/96/77/500689677.db2.gz OTFUGJJMGUYUBN-CZUORRHYSA-N 2 1 312.404 3.450 10 0 DGAEMP c1cncc(-c2ccc(C[NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)cc2)c1 ZINC000166745718 546095899 /nfs/dbraw/zinc/09/58/99/546095899.db2.gz JDNJFJMFESFJDO-WOJBJXKFSA-N 2 1 307.441 3.465 10 0 DGAEMP CSc1ccc(OCC[N@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)cc1 ZINC000173528878 546104461 /nfs/dbraw/zinc/10/44/61/546104461.db2.gz OWJARAVQFZIGKT-HUUCEWRRSA-N 2 1 308.491 3.202 10 0 DGAEMP CSc1ccc(OCC[N@@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)cc1 ZINC000173528878 546104464 /nfs/dbraw/zinc/10/44/64/546104464.db2.gz OWJARAVQFZIGKT-HUUCEWRRSA-N 2 1 308.491 3.202 10 0 DGAEMP CSc1ccc(OCC[NH+](C)[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000173528878 546104469 /nfs/dbraw/zinc/10/44/69/546104469.db2.gz OWJARAVQFZIGKT-HUUCEWRRSA-N 2 1 308.491 3.202 10 0 DGAEMP CSc1ccc(OCC[NH+](C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000173528878 546104472 /nfs/dbraw/zinc/10/44/72/546104472.db2.gz OWJARAVQFZIGKT-HUUCEWRRSA-N 2 1 308.491 3.202 10 0 DGAEMP C[C@H]([NH2+]CC[C@H]1CCCO1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000381808175 546740036 /nfs/dbraw/zinc/74/00/36/546740036.db2.gz XZNVJWXWJDGJLX-QXAKKESOSA-N 2 1 302.462 3.056 10 0 DGAEMP Cc1cc(N[C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)cc[nH+]1 ZINC000381907047 546740374 /nfs/dbraw/zinc/74/03/74/546740374.db2.gz YLNXIWZNLYTVHG-DFQSSKMNSA-N 2 1 307.441 3.134 10 0 DGAEMP C[C@H]([NH2+]CC1CCC(O)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000393924537 546760165 /nfs/dbraw/zinc/76/01/65/546760165.db2.gz ZFCCNWXSWUAQDL-AILXTGBUSA-N 2 1 316.489 3.038 10 0 DGAEMP C[C@H]([NH2+]CC1CCC(O)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000393924543 546760359 /nfs/dbraw/zinc/76/03/59/546760359.db2.gz ZFCCNWXSWUAQDL-YMPIPDKKSA-N 2 1 316.489 3.038 10 0 DGAEMP C[C@@H]1SCC[C@@H]1[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000398155213 575960550 /nfs/dbraw/zinc/96/05/50/575960550.db2.gz ZQPOPKGGIQHJCC-FZCLSBEQSA-N 2 1 304.503 3.381 10 0 DGAEMP C[C@@H]1SCC[C@@H]1[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000398155213 575960553 /nfs/dbraw/zinc/96/05/53/575960553.db2.gz ZQPOPKGGIQHJCC-FZCLSBEQSA-N 2 1 304.503 3.381 10 0 DGAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1C[C@H](O)c1cc(C)cc(C)c1 ZINC000247232228 655597953 /nfs/dbraw/zinc/59/79/53/655597953.db2.gz ZJOYWBTWDJLQLG-OALUTQOASA-N 2 1 313.445 3.006 10 0 DGAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1C[C@H](O)c1cc(C)cc(C)c1 ZINC000247232228 655597956 /nfs/dbraw/zinc/59/79/56/655597956.db2.gz ZJOYWBTWDJLQLG-OALUTQOASA-N 2 1 313.445 3.006 10 0 DGAEMP CCOC(C)(C)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716623075 661225096 /nfs/dbraw/zinc/22/50/96/661225096.db2.gz XKKXVSOUAXARSA-OTWHNJEPSA-N 2 1 316.489 3.444 10 0 DGAEMP CCC[C@@H](CCO)[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716619107 661225220 /nfs/dbraw/zinc/22/52/20/661225220.db2.gz BLCUQUJOKAMRNE-HAGHYFMRSA-N 2 1 316.489 3.180 10 0 DGAEMP CC(C)OCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716673809 661226516 /nfs/dbraw/zinc/22/65/16/661226516.db2.gz QIFQOSPMJXDFLU-OTWHNJEPSA-N 2 1 302.462 3.054 10 0 DGAEMP CO[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000310013432 656131521 /nfs/dbraw/zinc/13/15/21/656131521.db2.gz LYXVHQCWXWONGI-GBESFXJTSA-N 2 1 302.462 3.056 10 0 DGAEMP COC[C@@H]([NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2)C1CC1 ZINC000716681421 661227496 /nfs/dbraw/zinc/22/74/96/661227496.db2.gz WWJLWSLKQWKDTC-FRYIKTPZSA-N 2 1 314.473 3.054 10 0 DGAEMP C[C@@H]1C[C@H]([NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)[C@@H](C)O1 ZINC000716688850 661227774 /nfs/dbraw/zinc/22/77/74/661227774.db2.gz BXTUFQLLWBQDIS-VTPPTGSRSA-N 2 1 314.473 3.195 10 0 DGAEMP C[N@@H+](CCC[NH2+][C@@H]1CC[C@H]2COCC[C@@H]2C1)Cc1ccccc1 ZINC000723643273 656498240 /nfs/dbraw/zinc/49/82/40/656498240.db2.gz FWWOIKUOOMUQMK-HSALFYBXSA-N 2 1 316.489 3.303 10 0 DGAEMP C[N@@H+](C[C@@H]1CC[NH+](Cc2ccccc2)C1)CC1(O)CCCCC1 ZINC000157077142 658984892 /nfs/dbraw/zinc/98/48/92/658984892.db2.gz RAXMXHJVXMZRKW-IBGZPJMESA-N 2 1 316.489 3.136 10 0 DGAEMP C[NH+](C[C@@H]1CC[N@H+](Cc2ccccc2)C1)CC1(O)CCCCC1 ZINC000157077142 658984896 /nfs/dbraw/zinc/98/48/96/658984896.db2.gz RAXMXHJVXMZRKW-IBGZPJMESA-N 2 1 316.489 3.136 10 0 DGAEMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CCCc2n[nH]cc21 ZINC000353521759 659995611 /nfs/dbraw/zinc/99/56/11/659995611.db2.gz SLCLPJRTEHGBNW-MNEFBYGVSA-N 2 1 324.472 3.287 10 0 DGAEMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CCCc2n[nH]cc21 ZINC000353521759 659995613 /nfs/dbraw/zinc/99/56/13/659995613.db2.gz SLCLPJRTEHGBNW-MNEFBYGVSA-N 2 1 324.472 3.287 10 0 DGAEMP CC[NH+](CC)CCC[N@H+]1CCC[C@H]1C[C@H](O)c1ccccc1 ZINC000191519403 662070393 /nfs/dbraw/zinc/07/03/93/662070393.db2.gz KKHFECIJHMYULH-OALUTQOASA-N 2 1 304.478 3.306 10 0 DGAEMP Cc1sc(C[NH2+]CCC[NH+]2CCCC2)cc1Br ZINC000227774412 1176546632 /nfs/dbraw/zinc/54/66/32/1176546632.db2.gz XFBNHGPOKPGPJJ-UHFFFAOYSA-N 2 1 317.296 3.395 10 0 DGAEMP c1c(C[NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)nc2ccccn12 ZINC000072980527 1196124900 /nfs/dbraw/zinc/12/49/00/1196124900.db2.gz VXHKJBFXUKKZQI-UHFFFAOYSA-N 2 1 320.440 3.220 10 0 DGAEMP C[C@H](CC[NH2+]Cc1cnn2ccccc12)[N@H+](C)Cc1ccccc1 ZINC000080234665 1197050357 /nfs/dbraw/zinc/05/03/57/1197050357.db2.gz IRDAGIOIHASBCD-QGZVFWFLSA-N 2 1 322.456 3.335 10 0 DGAEMP C[C@H](CC[NH2+]Cc1cnn2ccccc12)[N@@H+](C)Cc1ccccc1 ZINC000080234665 1197050361 /nfs/dbraw/zinc/05/03/61/1197050361.db2.gz IRDAGIOIHASBCD-QGZVFWFLSA-N 2 1 322.456 3.335 10 0 DGAEMP c1[nH]nc2cc(C[NH2+]CCC[N@@H+]3CCc4ccccc4C3)ccc12 ZINC000236723109 1202622246 /nfs/dbraw/zinc/62/22/46/1202622246.db2.gz IPODDTOCBBKAHJ-UHFFFAOYSA-N 2 1 320.440 3.101 10 0 DGAEMP c1[nH]nc2cc(C[NH2+]CCC[N@H+]3CCc4ccccc4C3)ccc12 ZINC000236723109 1202622247 /nfs/dbraw/zinc/62/22/47/1202622247.db2.gz IPODDTOCBBKAHJ-UHFFFAOYSA-N 2 1 320.440 3.101 10 0 DGAEMP Cc1cc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c(C)nn1 ZINC000720616095 1093874210 /nfs/dbraw/zinc/87/42/10/1093874210.db2.gz OLRTXQIMFFUMTO-MGPUTAFESA-N 2 1 324.472 3.094 10 0 DGAEMP Cc1cc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)c(C)nn1 ZINC000720616095 1093874217 /nfs/dbraw/zinc/87/42/17/1093874217.db2.gz OLRTXQIMFFUMTO-MGPUTAFESA-N 2 1 324.472 3.094 10 0 DGAEMP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)C1CC[NH2+]CC1 ZINC000400774704 1093914721 /nfs/dbraw/zinc/91/47/21/1093914721.db2.gz OCHFZXAZPBRZKH-ZWOKBUDYSA-N 3 1 315.505 3.017 10 0 DGAEMP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)C1CC[NH2+]CC1 ZINC000400774704 1093914728 /nfs/dbraw/zinc/91/47/28/1093914728.db2.gz OCHFZXAZPBRZKH-ZWOKBUDYSA-N 3 1 315.505 3.017 10 0 DGAEMP C[C@@H]1OC[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)[C@@H]1C ZINC000405805847 1094437514 /nfs/dbraw/zinc/43/75/14/1094437514.db2.gz WNEPRNOMJJAEFV-VYDRJQSISA-N 2 1 302.462 3.053 10 0 DGAEMP C[C@@H]1OC[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)[C@@H]1C ZINC000405805847 1094437517 /nfs/dbraw/zinc/43/75/17/1094437517.db2.gz WNEPRNOMJJAEFV-VYDRJQSISA-N 2 1 302.462 3.053 10 0 DGAEMP C[C@H](CC[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)[N@@H+](C)Cc1ccccc1 ZINC000278670729 214315313 /nfs/dbraw/zinc/31/53/13/214315313.db2.gz JEGVEZGVJJTVCF-LULLPPNCSA-N 2 1 316.489 3.300 10 0 DGAEMP C[C@H]1C[C@@H]([NH+](C)Cc2ccc3c(c2)COC(C)(C)O3)CC[N@@H+]1C ZINC000186830722 200017754 /nfs/dbraw/zinc/01/77/54/200017754.db2.gz FVRMYQRMFFCRSK-YOEHRIQHSA-N 2 1 318.461 3.246 10 0 DGAEMP C[C@H]1C[C@@H]([NH+](C)Cc2ccc3c(c2)COC(C)(C)O3)CC[N@H+]1C ZINC000186830722 200017756 /nfs/dbraw/zinc/01/77/56/200017756.db2.gz FVRMYQRMFFCRSK-YOEHRIQHSA-N 2 1 318.461 3.246 10 0 DGAEMP C[C@H]1C[C@@H]([N@H+](C)Cc2ccc3c(c2)COC(C)(C)O3)CC[NH+]1C ZINC000186830722 200017757 /nfs/dbraw/zinc/01/77/57/200017757.db2.gz FVRMYQRMFFCRSK-YOEHRIQHSA-N 2 1 318.461 3.246 10 0 DGAEMP C[C@H]1C[C@@H]([N@@H+](C)Cc2ccc3c(c2)COC(C)(C)O3)CC[NH+]1C ZINC000186830722 200017759 /nfs/dbraw/zinc/01/77/59/200017759.db2.gz FVRMYQRMFFCRSK-YOEHRIQHSA-N 2 1 318.461 3.246 10 0 DGAEMP C[C@H]1C[C@@H]([N@@H+](C)Cc2cn(C)nc2-c2cccs2)CCN1C ZINC000180424350 432086465 /nfs/dbraw/zinc/08/64/65/432086465.db2.gz BTQRGOGREOCWFY-ZFWWWQNUSA-N 2 1 318.490 3.063 10 0 DGAEMP C[C@H]1C[C@@H](N(C)Cc2cn(C)nc2-c2cccs2)CC[N@@H+]1C ZINC000180424350 432086467 /nfs/dbraw/zinc/08/64/67/432086467.db2.gz BTQRGOGREOCWFY-ZFWWWQNUSA-N 2 1 318.490 3.063 10 0 DGAEMP C[C@H]1C[C@@H](N(C)Cc2cn(C)nc2-c2cccs2)CC[N@H+]1C ZINC000180424350 432086469 /nfs/dbraw/zinc/08/64/69/432086469.db2.gz BTQRGOGREOCWFY-ZFWWWQNUSA-N 2 1 318.490 3.063 10 0 DGAEMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCC[C@@H]1C[C@@H](O)c1ccccc1 ZINC000268587488 432108779 /nfs/dbraw/zinc/10/87/79/432108779.db2.gz UXOURYIPDJANRL-VAMGGRTRSA-N 2 1 316.489 3.449 10 0 DGAEMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CCC[C@@H]1C[C@@H](O)c1ccccc1 ZINC000268587488 432108783 /nfs/dbraw/zinc/10/87/83/432108783.db2.gz UXOURYIPDJANRL-VAMGGRTRSA-N 2 1 316.489 3.449 10 0 DGAEMP C[NH+]1CCCC[C@@H]1CC[N@H+]1CCC[C@@H]1C[C@@H](O)c1ccccc1 ZINC000268587488 432108786 /nfs/dbraw/zinc/10/87/86/432108786.db2.gz UXOURYIPDJANRL-VAMGGRTRSA-N 2 1 316.489 3.449 10 0 DGAEMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(C)c(OC)c(C)c2)[C@H](C)C1 ZINC000093638955 284013859 /nfs/dbraw/zinc/01/38/59/284013859.db2.gz RWNVLTVTBLEVBF-SJLPKXTDSA-N 2 1 304.478 3.474 10 0 DGAEMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(C)c(OC)c(C)c2)[C@H](C)C1 ZINC000093638955 284013861 /nfs/dbraw/zinc/01/38/61/284013861.db2.gz RWNVLTVTBLEVBF-SJLPKXTDSA-N 2 1 304.478 3.474 10 0 DGAEMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(C)c(OC)c(C)c2)[C@H](C)C1 ZINC000093638955 284013863 /nfs/dbraw/zinc/01/38/63/284013863.db2.gz RWNVLTVTBLEVBF-SJLPKXTDSA-N 2 1 304.478 3.474 10 0 DGAEMP COCCCOc1cccc(C[N@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)c1 ZINC000093645074 193280800 /nfs/dbraw/zinc/28/08/00/193280800.db2.gz SBYXPBFAMKTUII-WMZOPIPTSA-N 2 1 320.477 3.016 10 0 DGAEMP COCCCOc1cccc(C[N@@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)c1 ZINC000093645074 193280802 /nfs/dbraw/zinc/28/08/02/193280802.db2.gz SBYXPBFAMKTUII-WMZOPIPTSA-N 2 1 320.477 3.016 10 0 DGAEMP COCCCOc1cccc(C[NH+](C)[C@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000093645074 193280803 /nfs/dbraw/zinc/28/08/03/193280803.db2.gz SBYXPBFAMKTUII-WMZOPIPTSA-N 2 1 320.477 3.016 10 0 DGAEMP COCCCOc1cccc(C[NH+](C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000093645074 193280805 /nfs/dbraw/zinc/28/08/05/193280805.db2.gz SBYXPBFAMKTUII-WMZOPIPTSA-N 2 1 320.477 3.016 10 0 DGAEMP Cc1ccc(NC(=O)CN(C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1Cl ZINC000246604079 432148160 /nfs/dbraw/zinc/14/81/60/432148160.db2.gz GIAVBAMBINFSHX-DZGCQCFKSA-N 2 1 323.868 3.001 10 0 DGAEMP CCc1[nH+]ccn1[C@@H](c1cccc(Br)c1)[C@H](C)[NH3+] ZINC000043022266 183329787 /nfs/dbraw/zinc/32/97/87/183329787.db2.gz LHKKZSSQTVDHCZ-IINYFYTJSA-N 2 1 308.223 3.145 10 0 DGAEMP COC[C@@H](C)C[NH2+]Cc1ccccc1C[N@H+]1CCC[C@H](C)C1 ZINC000249774044 285088076 /nfs/dbraw/zinc/08/80/76/285088076.db2.gz KAQJWOFIMOWXCF-IRXDYDNUSA-N 2 1 304.478 3.291 10 0 DGAEMP COC[C@@H](C)C[NH2+]Cc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000249770056 285087949 /nfs/dbraw/zinc/08/79/49/285087949.db2.gz JGDIYQVDPNOSMT-SJORKVTESA-N 2 1 304.478 3.291 10 0 DGAEMP C[C@H]([NH2+]Cc1ccns1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000404431141 400295467 /nfs/dbraw/zinc/29/54/67/400295467.db2.gz MQUBMPBCBTVNRM-HOCLYGCPSA-N 2 1 301.459 3.143 10 0 DGAEMP C[C@H]([NH2+]Cc1ccns1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000404431141 400295471 /nfs/dbraw/zinc/29/54/71/400295471.db2.gz MQUBMPBCBTVNRM-HOCLYGCPSA-N 2 1 301.459 3.143 10 0 DGAEMP c1cc(CN[C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)sn1 ZINC000404463110 400295985 /nfs/dbraw/zinc/29/59/85/400295985.db2.gz VJBJWGVULXARRA-CGTJXYLNSA-N 2 1 313.470 3.143 10 0 DGAEMP c1cc(C[NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)sn1 ZINC000404463110 400295990 /nfs/dbraw/zinc/29/59/90/400295990.db2.gz VJBJWGVULXARRA-CGTJXYLNSA-N 2 1 313.470 3.143 10 0 DGAEMP c1cc(C[NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)sn1 ZINC000404463110 400295996 /nfs/dbraw/zinc/29/59/96/400295996.db2.gz VJBJWGVULXARRA-CGTJXYLNSA-N 2 1 313.470 3.143 10 0 DGAEMP CO[C@H]1C[C@@H](C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000623823870 401583314 /nfs/dbraw/zinc/58/33/14/401583314.db2.gz NQAYXSWFMIOKFL-OWYHZJEWSA-N 2 1 302.462 3.054 10 0 DGAEMP CO[C@H]1C[C@@H](C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000623823870 401583317 /nfs/dbraw/zinc/58/33/17/401583317.db2.gz NQAYXSWFMIOKFL-OWYHZJEWSA-N 2 1 302.462 3.054 10 0 DGAEMP CO[C@H]1C[C@@H](C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000623823869 401583514 /nfs/dbraw/zinc/58/35/14/401583514.db2.gz NQAYXSWFMIOKFL-GDAAHCPNSA-N 2 1 302.462 3.054 10 0 DGAEMP CO[C@H]1C[C@@H](C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000623823869 401583516 /nfs/dbraw/zinc/58/35/16/401583516.db2.gz NQAYXSWFMIOKFL-GDAAHCPNSA-N 2 1 302.462 3.054 10 0 DGAEMP C[C@@H](CC[NH2+][C@@H](C)[C@H]1CCCCO1)[N@@H+](C)Cc1ccccc1 ZINC000623901451 401596403 /nfs/dbraw/zinc/59/64/03/401596403.db2.gz IGKDFHONETXUMY-JENIJYKNSA-N 2 1 304.478 3.444 10 0 DGAEMP CC[C@H](c1ccc(Br)cc1)[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631839303 401560156 /nfs/dbraw/zinc/56/01/56/401560156.db2.gz DEFADDWIRHXTCU-UXIGCNINSA-N 2 1 311.267 3.427 10 0 DGAEMP CCOCCCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000364438819 287026644 /nfs/dbraw/zinc/02/66/44/287026644.db2.gz BVWJGPCPHATPLR-MJGOQNOKSA-N 2 1 304.478 3.303 10 0 DGAEMP CCOCCCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000364438819 287026645 /nfs/dbraw/zinc/02/66/45/287026645.db2.gz BVWJGPCPHATPLR-MJGOQNOKSA-N 2 1 304.478 3.303 10 0 DGAEMP Cc1cc(-n2ccnc2)ccc1C[N@H+](C)[C@@H]1CCN(C)[C@H](C)C1 ZINC000192056058 165281399 /nfs/dbraw/zinc/28/13/99/165281399.db2.gz HNWRDIBLYURNKJ-SJLPKXTDSA-N 2 1 312.461 3.095 10 0 DGAEMP Cc1cc(-n2ccnc2)ccc1C[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000192056058 165281403 /nfs/dbraw/zinc/28/14/03/165281403.db2.gz HNWRDIBLYURNKJ-SJLPKXTDSA-N 3 1 312.461 3.095 10 0 DGAEMP Cc1cc(-n2ccnc2)ccc1C[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000192056058 165281405 /nfs/dbraw/zinc/28/14/05/165281405.db2.gz HNWRDIBLYURNKJ-SJLPKXTDSA-N 3 1 312.461 3.095 10 0 DGAEMP Cc1cc(-n2ccnc2)ccc1C[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000192056058 165281411 /nfs/dbraw/zinc/28/14/11/165281411.db2.gz HNWRDIBLYURNKJ-SJLPKXTDSA-N 3 1 312.461 3.095 10 0 DGAEMP Cc1cc(-n2ccnc2)ccc1C[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000192056058 165281413 /nfs/dbraw/zinc/28/14/13/165281413.db2.gz HNWRDIBLYURNKJ-SJLPKXTDSA-N 3 1 312.461 3.095 10 0 DGAEMP c1[nH]nc2cc(C[NH2+]C[C@H]3CC[N@@H+](Cc4ccccc4)C3)ccc12 ZINC000192931652 165309967 /nfs/dbraw/zinc/30/99/67/165309967.db2.gz NIQXTSQNAYKYJS-GOSISDBHSA-N 2 1 320.440 3.175 10 0 DGAEMP C[N@@H+]1C[C@@H]2C[NH+](CCCOc3ccc4ccccc4c3)C[C@@H]2C1 ZINC000193615911 165328882 /nfs/dbraw/zinc/32/88/82/165328882.db2.gz HTTYQVVRSZNLKW-KDURUIRLSA-N 2 1 310.441 3.102 10 0 DGAEMP COc1c(C)cnc(CN2CCC[N@H+](C3CCCC3)CC2)c1C ZINC000172582603 432220979 /nfs/dbraw/zinc/22/09/79/432220979.db2.gz USFNNEKFSDYLNS-UHFFFAOYSA-N 2 1 317.477 3.157 10 0 DGAEMP COc1c(C)c[nH+]c(CN2CCC[N@@H+](C3CCCC3)CC2)c1C ZINC000172582603 432220985 /nfs/dbraw/zinc/22/09/85/432220985.db2.gz USFNNEKFSDYLNS-UHFFFAOYSA-N 2 1 317.477 3.157 10 0 DGAEMP COc1c(C)c[nH+]c(CN2CCC[N@H+](C3CCCC3)CC2)c1C ZINC000172582603 432220989 /nfs/dbraw/zinc/22/09/89/432220989.db2.gz USFNNEKFSDYLNS-UHFFFAOYSA-N 2 1 317.477 3.157 10 0 DGAEMP CC(C)N(C)c1ccc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cn1 ZINC000191222064 432236252 /nfs/dbraw/zinc/23/62/52/432236252.db2.gz PYNQCZBBUIARQC-AYHJJNSGSA-N 2 1 316.493 3.031 10 0 DGAEMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(N(C)C(C)C)nc2)[C@H](C)C1 ZINC000191396893 432259567 /nfs/dbraw/zinc/25/95/67/432259567.db2.gz SRCULRANRLEXKU-AEFFLSMTSA-N 2 1 318.509 3.088 10 0 DGAEMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(N(C)C(C)C)nc2)[C@H](C)C1 ZINC000191396893 432259570 /nfs/dbraw/zinc/25/95/70/432259570.db2.gz SRCULRANRLEXKU-AEFFLSMTSA-N 2 1 318.509 3.088 10 0 DGAEMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(N(C)C(C)C)nc2)[C@H](C)C1 ZINC000191396893 432259574 /nfs/dbraw/zinc/25/95/74/432259574.db2.gz SRCULRANRLEXKU-AEFFLSMTSA-N 2 1 318.509 3.088 10 0 DGAEMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(N(C)C(C)C)nc2)[C@H](C)C1 ZINC000191396893 432259577 /nfs/dbraw/zinc/25/95/77/432259577.db2.gz SRCULRANRLEXKU-AEFFLSMTSA-N 2 1 318.509 3.088 10 0 DGAEMP CC[N@H+]1CC[C@H](N(C)Cc2nc(C)c3ccccc3n2)[C@H](C)C1 ZINC000081095540 431782945 /nfs/dbraw/zinc/78/29/45/431782945.db2.gz MXLVIVNATDGOCG-KDOFPFPSSA-N 2 1 312.461 3.100 10 0 DGAEMP CCc1nccn1[C@H]1CCC[N@@H+](Cc2cnn(C(C)(C)C)c2)C1 ZINC000122956278 431849728 /nfs/dbraw/zinc/84/97/28/431849728.db2.gz QYXRYPFSLJJPBZ-INIZCTEOSA-N 2 1 315.465 3.234 10 0 DGAEMP CCc1nccn1[C@H]1CCCN(Cc2cnn(C(C)(C)C)c2)C1 ZINC000122956278 431849731 /nfs/dbraw/zinc/84/97/31/431849731.db2.gz QYXRYPFSLJJPBZ-INIZCTEOSA-N 2 1 315.465 3.234 10 0 DGAEMP Cc1cc(Cl)ccc1NC(=O)CN(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000123429194 431865136 /nfs/dbraw/zinc/86/51/36/431865136.db2.gz MUCZTWCOLSDKMR-UKRRQHHQSA-N 2 1 323.868 3.001 10 0 DGAEMP C[N@H+]1CCCC[C@@H]1CN1CC[NH+](CC2CCC(C)(C)CC2)CC1 ZINC000093147518 431913295 /nfs/dbraw/zinc/91/32/95/431913295.db2.gz PURKIRZPGNDJKI-LJQANCHMSA-N 2 1 321.553 3.305 10 0 DGAEMP C[C@H]1C[C@@H](N(C)Cc2ccccc2Br)CC[N@H+]1C ZINC000123958714 431879366 /nfs/dbraw/zinc/87/93/66/431879366.db2.gz WQMRHLDCXPDITO-JSGCOSHPSA-N 2 1 311.267 3.364 10 0 DGAEMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2CC([NH2+]CC2=CCCOC2)C3)cc1 ZINC000127201769 431967110 /nfs/dbraw/zinc/96/71/10/431967110.db2.gz KDQWDTXQQWCJQT-IHWFROFDSA-N 2 1 312.457 3.118 10 0 DGAEMP Clc1cccc(C[N@H+]2CC[C@H](CNc3ccccn3)C2)n1 ZINC000173779291 432300421 /nfs/dbraw/zinc/30/04/21/432300421.db2.gz JBDXTFVIEANCIJ-CYBMUJFWSA-N 2 1 302.809 3.064 10 0 DGAEMP Clc1cccc(CN2CC[C@H](CNc3ccccn3)C2)n1 ZINC000173779291 432300424 /nfs/dbraw/zinc/30/04/24/432300424.db2.gz JBDXTFVIEANCIJ-CYBMUJFWSA-N 2 1 302.809 3.064 10 0 DGAEMP Cc1cc(-n2ccnc2)ccc1C[NH+](C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000248828495 432321553 /nfs/dbraw/zinc/32/15/53/432321553.db2.gz HNWRDIBLYURNKJ-FUHWJXTLSA-N 2 1 312.461 3.095 10 0 DGAEMP Cc1cc(-n2ccnc2)ccc1C[N@@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000248828495 432321559 /nfs/dbraw/zinc/32/15/59/432321559.db2.gz HNWRDIBLYURNKJ-FUHWJXTLSA-N 2 1 312.461 3.095 10 0 DGAEMP Cc1cc(-n2ccnc2)ccc1C[N@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000248828495 432321561 /nfs/dbraw/zinc/32/15/61/432321561.db2.gz HNWRDIBLYURNKJ-FUHWJXTLSA-N 2 1 312.461 3.095 10 0 DGAEMP c1csc(C[N@H+]2CCC[C@@H](C[NH2+]C[C@H]3CCC=CO3)C2)c1 ZINC000248882101 432326219 /nfs/dbraw/zinc/32/62/19/432326219.db2.gz KZRKEPVJVKQAKF-JKSUJKDBSA-N 2 1 306.475 3.242 10 0 DGAEMP c1csc(C[N@@H+]2CCC[C@@H](C[NH2+]C[C@H]3CCC=CO3)C2)c1 ZINC000248882101 432326223 /nfs/dbraw/zinc/32/62/23/432326223.db2.gz KZRKEPVJVKQAKF-JKSUJKDBSA-N 2 1 306.475 3.242 10 0 DGAEMP C[C@@H]1C[C@H]([N@@H+](C)CCOc2ccc(Cl)c(F)c2)CCN1C ZINC000192056191 432328529 /nfs/dbraw/zinc/32/85/29/432328529.db2.gz GKELFGGMWDVKEJ-CHWSQXEVSA-N 2 1 314.832 3.272 10 0 DGAEMP C[C@@H]1C[C@H]([N@H+](C)CCOc2ccc(Cl)c(F)c2)CC[NH+]1C ZINC000192056191 432328541 /nfs/dbraw/zinc/32/85/41/432328541.db2.gz GKELFGGMWDVKEJ-CHWSQXEVSA-N 2 1 314.832 3.272 10 0 DGAEMP C[C@@H]1C[C@H]([N@@H+](C)CCOc2ccc(Cl)c(F)c2)CC[NH+]1C ZINC000192056191 432328543 /nfs/dbraw/zinc/32/85/43/432328543.db2.gz GKELFGGMWDVKEJ-CHWSQXEVSA-N 2 1 314.832 3.272 10 0 DGAEMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3coc(-c4ccc(F)cc4)n3)C[C@@H]21 ZINC000261626166 432435273 /nfs/dbraw/zinc/43/52/73/432435273.db2.gz COWWCXQASFLYRT-XOKHGSTOSA-N 2 1 315.392 3.040 10 0 DGAEMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3coc(-c4ccc(F)cc4)n3)C[C@@H]21 ZINC000261626166 432435277 /nfs/dbraw/zinc/43/52/77/432435277.db2.gz COWWCXQASFLYRT-XOKHGSTOSA-N 2 1 315.392 3.040 10 0 DGAEMP CC[N@@H+](Cc1cccc(Br)c1)C[C@@]1(C)CC[NH2+]C1 ZINC000261767877 432448090 /nfs/dbraw/zinc/44/80/90/432448090.db2.gz MFBLFUXVVKKNSS-HNNXBMFYSA-N 2 1 311.267 3.271 10 0 DGAEMP Cc1cc(C[N@H+](Cc2ccsc2)[C@H]2CC23CC[NH2+]CC3)on1 ZINC000262127936 432476010 /nfs/dbraw/zinc/47/60/10/432476010.db2.gz NHYWETKXDUYCAB-INIZCTEOSA-N 2 1 317.458 3.189 10 0 DGAEMP Cc1cc(C[N@@H+](Cc2ccsc2)[C@H]2CC23CC[NH2+]CC3)on1 ZINC000262127936 432476014 /nfs/dbraw/zinc/47/60/14/432476014.db2.gz NHYWETKXDUYCAB-INIZCTEOSA-N 2 1 317.458 3.189 10 0 DGAEMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1cnc(-c2ccccc2)[nH]1 ZINC000175991286 432483402 /nfs/dbraw/zinc/48/34/02/432483402.db2.gz LBCXYPZLBWJWNQ-AWEZNQCLSA-N 2 1 309.417 3.008 10 0 DGAEMP CC(C)(C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1)Cc1ccccc1 ZINC000261933475 432460998 /nfs/dbraw/zinc/46/09/98/432460998.db2.gz LYQDDXIDYUKNFN-OTWHNJEPSA-N 2 1 316.489 3.002 10 0 DGAEMP C[N@H+](Cc1ccc(Br)c(F)c1)C[C@]1(C)CC[NH2+]C1 ZINC000261927884 432461766 /nfs/dbraw/zinc/46/17/66/432461766.db2.gz CIWRJGPQQFVAPR-CQSZACIVSA-N 2 1 315.230 3.020 10 0 DGAEMP C[N@@H+](Cc1ccc(Br)c(F)c1)C[C@]1(C)CC[NH2+]C1 ZINC000261927884 432461768 /nfs/dbraw/zinc/46/17/68/432461768.db2.gz CIWRJGPQQFVAPR-CQSZACIVSA-N 2 1 315.230 3.020 10 0 DGAEMP c1ccc2c(c1)cccc2CC[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1 ZINC000261979877 432466464 /nfs/dbraw/zinc/46/64/64/432466464.db2.gz RLLZHKBMHPCWQJ-NJYVYQBISA-N 2 1 324.468 3.129 10 0 DGAEMP Cc1ccc(C(C)(C)C[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)cc1 ZINC000262013200 432468642 /nfs/dbraw/zinc/46/86/42/432468642.db2.gz VTBDDYUVWYEMDA-IPMKNSEASA-N 2 1 316.489 3.019 10 0 DGAEMP [NH3+]CC[C@@H]1CCC[N@@H+](Cc2coc(-c3ccc(F)cc3)n2)C1 ZINC000262028031 432469699 /nfs/dbraw/zinc/46/96/99/432469699.db2.gz YNCNHTJLSTVTDO-ZDUSSCGKSA-N 2 1 303.381 3.042 10 0 DGAEMP CC[NH+](C[C@@H](C)COC)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000187411585 432662239 /nfs/dbraw/zinc/66/22/39/432662239.db2.gz BHRZTNYQMKSWKE-MJGOQNOKSA-N 2 1 304.478 3.113 10 0 DGAEMP CC[NH+](C[C@@H](C)COC)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000187411585 432662244 /nfs/dbraw/zinc/66/22/44/432662244.db2.gz BHRZTNYQMKSWKE-MJGOQNOKSA-N 2 1 304.478 3.113 10 0 DGAEMP Cc1cc(C)cc(OCCC[NH+](C)[C@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000177814023 432665373 /nfs/dbraw/zinc/66/53/73/432665373.db2.gz ZMKJDDGGJKOYLG-MSOLQXFVSA-N 2 1 304.478 3.487 10 0 DGAEMP Cc1cc(C)cc(OCCC[NH+](C)[C@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000177814023 432665376 /nfs/dbraw/zinc/66/53/76/432665376.db2.gz ZMKJDDGGJKOYLG-MSOLQXFVSA-N 2 1 304.478 3.487 10 0 DGAEMP Cc1cc(C)cc(OCCC[N@@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)c1 ZINC000177814023 432665380 /nfs/dbraw/zinc/66/53/80/432665380.db2.gz ZMKJDDGGJKOYLG-MSOLQXFVSA-N 2 1 304.478 3.487 10 0 DGAEMP Cc1cc(C)cc(OCCC[N@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)c1 ZINC000177814023 432665383 /nfs/dbraw/zinc/66/53/83/432665383.db2.gz ZMKJDDGGJKOYLG-MSOLQXFVSA-N 2 1 304.478 3.487 10 0 DGAEMP Cc1nccn1C[C@H]1CCC[N@H+]1Cc1ccc(-n2ccnc2)cc1 ZINC000178752244 432773068 /nfs/dbraw/zinc/77/30/68/432773068.db2.gz SIRHCLYHOKADHC-LJQANCHMSA-N 3 1 321.428 3.042 10 0 DGAEMP Cc1nccn1C[C@H]1CCC[N@H+]1Cc1nc(C)c2ccccc2n1 ZINC000178746983 432773521 /nfs/dbraw/zinc/77/35/21/432773521.db2.gz JKMJPFYEDXKTKZ-MRXNPFEDSA-N 2 1 321.428 3.108 10 0 DGAEMP CC(C)c1csc([C@@H]2CCC[N@@H+](CC3CC[NH2+]CC3)C2)n1 ZINC000178981804 432793325 /nfs/dbraw/zinc/79/33/25/432793325.db2.gz DUKODBNGEKQVSN-OAHLLOKOSA-N 2 1 307.507 3.446 10 0 DGAEMP CO[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000361456007 433182647 /nfs/dbraw/zinc/18/26/47/433182647.db2.gz HFIIUECUOKBNCX-DSLXNQLJSA-N 2 1 302.462 3.197 10 0 DGAEMP CO[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000361456007 433182654 /nfs/dbraw/zinc/18/26/54/433182654.db2.gz HFIIUECUOKBNCX-DSLXNQLJSA-N 2 1 302.462 3.197 10 0 DGAEMP c1cc(C[NH+]2CCCCC2)ccc1C[N@H+]1CC[C@]12CCOC2 ZINC000421026821 433395660 /nfs/dbraw/zinc/39/56/60/433395660.db2.gz UABBWBLFOYRHLI-LJQANCHMSA-N 2 1 300.446 3.037 10 0 DGAEMP c1ccc2c(c1)CO[C@@]21CCC[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC000375253174 433396580 /nfs/dbraw/zinc/39/65/80/433396580.db2.gz REMAHYAFBWNBCQ-HXUWFJFHSA-N 2 1 314.473 3.384 10 0 DGAEMP c1ccc2c(c1)CO[C@@]21CCC[N@H+](CCC[NH+]2CCCCC2)C1 ZINC000375253174 433396595 /nfs/dbraw/zinc/39/65/95/433396595.db2.gz REMAHYAFBWNBCQ-HXUWFJFHSA-N 2 1 314.473 3.384 10 0 DGAEMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@@]1(C)CCCO1 ZINC000362011613 433491792 /nfs/dbraw/zinc/49/17/92/433491792.db2.gz FRVLVSKOPHCIPD-BHIYHBOVSA-N 2 1 302.462 3.056 10 0 DGAEMP Cc1cc(CC[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)on1 ZINC000376058393 433656723 /nfs/dbraw/zinc/65/67/23/433656723.db2.gz PPZNUXSRBJYHRB-BEFAXECRSA-N 2 1 313.445 3.026 10 0 DGAEMP c1cc(C[NH+]2CCOCC2)ccc1C[NH2+][C@H]1CCCC12CCC2 ZINC000449063934 433720334 /nfs/dbraw/zinc/72/03/34/433720334.db2.gz RYQPXSHUCWGREW-IBGZPJMESA-N 2 1 314.473 3.331 10 0 DGAEMP COC(C)(C)[C@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000340258373 434020799 /nfs/dbraw/zinc/02/07/99/434020799.db2.gz NBGHBGJBIITUNU-XYJFISCASA-N 2 1 304.478 3.443 10 0 DGAEMP COC(C)(C)[C@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000340258373 434020805 /nfs/dbraw/zinc/02/08/05/434020805.db2.gz NBGHBGJBIITUNU-XYJFISCASA-N 2 1 304.478 3.443 10 0 DGAEMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CS1 ZINC000309772486 434099018 /nfs/dbraw/zinc/09/90/18/434099018.db2.gz HXTAFPXZNZGROP-QFACEVIFSA-N 2 1 316.514 3.381 10 0 DGAEMP CC(C)(C)[C@H](O)C[NH2+]C[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000310020185 434106946 /nfs/dbraw/zinc/10/69/46/434106946.db2.gz RCGMBUOICCCLGN-RBUKOAKNSA-N 2 1 318.505 3.285 10 0 DGAEMP c1cn(-c2csc(C[N@H+]3CCOCC34CCCC4)c2)cn1 ZINC000346210766 434202587 /nfs/dbraw/zinc/20/25/87/434202587.db2.gz WBCJOMKSLWXKOA-UHFFFAOYSA-N 2 1 303.431 3.079 10 0 DGAEMP COC[C@H]([NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)C(C)C ZINC000381766182 434275774 /nfs/dbraw/zinc/27/57/74/434275774.db2.gz NVIYPYAGKDHRCS-NMLBUPMWSA-N 2 1 316.489 3.158 10 0 DGAEMP CCC[C@H](C[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12)OC ZINC000386509012 434312682 /nfs/dbraw/zinc/31/26/82/434312682.db2.gz WWVJKZVIXQRHEP-UAFMIMERSA-N 2 1 316.489 3.302 10 0 DGAEMP [NH3+][C@@H]1CCC[C@H](NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000390722550 434365299 /nfs/dbraw/zinc/36/52/99/434365299.db2.gz ZPEYZYUXRJNOJK-MJIXASBWSA-N 2 1 313.489 3.042 10 0 DGAEMP [NH3+][C@@H]1CCC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000390722550 434365307 /nfs/dbraw/zinc/36/53/07/434365307.db2.gz ZPEYZYUXRJNOJK-MJIXASBWSA-N 3 1 313.489 3.042 10 0 DGAEMP [NH3+][C@@H]1CCC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000390722550 434365321 /nfs/dbraw/zinc/36/53/21/434365321.db2.gz ZPEYZYUXRJNOJK-MJIXASBWSA-N 3 1 313.489 3.042 10 0 DGAEMP C[C@@H]1CC[C@@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)O1 ZINC000390690435 434365503 /nfs/dbraw/zinc/36/55/03/434365503.db2.gz PJHHWVHGDFEGAB-PANBIXPWSA-N 2 1 314.473 3.339 10 0 DGAEMP COC[C@H](N[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C)c1ccccc1 ZINC000389868531 434351304 /nfs/dbraw/zinc/35/13/04/434351304.db2.gz NKWJXMDXFGGNRA-QMMLZNLJSA-N 2 1 324.468 3.484 10 0 DGAEMP COC[C@H](N[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C)c1ccccc1 ZINC000389868531 434351312 /nfs/dbraw/zinc/35/13/12/434351312.db2.gz NKWJXMDXFGGNRA-QMMLZNLJSA-N 2 1 324.468 3.484 10 0 DGAEMP C[C@]1(CN[C@H]2CCCC[C@@H]2C[NH3+])CCC[N@@H+]1Cc1ccccc1 ZINC000397923054 434446894 /nfs/dbraw/zinc/44/68/94/434446894.db2.gz PJKVFQWIEYVVBM-HSALFYBXSA-N 2 1 315.505 3.148 10 0 DGAEMP C[C@]1(CN[C@H]2CCCC[C@@H]2C[NH3+])CCC[N@H+]1Cc1ccccc1 ZINC000397923054 434446901 /nfs/dbraw/zinc/44/69/01/434446901.db2.gz PJKVFQWIEYVVBM-HSALFYBXSA-N 2 1 315.505 3.148 10 0 DGAEMP CC[NH+]1CCC(NC[C@]2(C)CCC[N@H+]2Cc2ccccc2)CC1 ZINC000397875416 434447672 /nfs/dbraw/zinc/44/76/72/434447672.db2.gz AAOSIIFZQUWKQW-FQEVSTJZSA-N 2 1 315.505 3.115 10 0 DGAEMP c1cn2c([nH+]1)CC[C@@H]([NH2+][C@@H]1CCCOc3cc4c(cc31)CCC4)C2 ZINC000360023380 434482843 /nfs/dbraw/zinc/48/28/43/434482843.db2.gz ZAVQCCQXBSYOII-SJLPKXTDSA-N 2 1 323.440 3.190 10 0 DGAEMP COc1ccc([C@H](C)C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000245948733 295234688 /nfs/dbraw/zinc/23/46/88/295234688.db2.gz WMFWGWAIPMDFSD-SJORKVTESA-N 2 1 302.462 3.216 10 0 DGAEMP c1nc(CN2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)oc1C1CC1 ZINC000371185952 434652337 /nfs/dbraw/zinc/65/23/37/434652337.db2.gz VEMVWLDOZFNIQL-ZBFHGGJFSA-N 2 1 301.434 3.001 10 0 DGAEMP C[N@H+]1CCC[C@H](CN[C@@H]2CCn3ccnc32)[C@H]1c1cccs1 ZINC000453111526 434804439 /nfs/dbraw/zinc/80/44/39/434804439.db2.gz BZVGYPHXBFKSEL-FMKPAKJESA-N 2 1 316.474 3.062 10 0 DGAEMP CC(C)[C@H](CO)C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000567773068 435352849 /nfs/dbraw/zinc/35/28/49/435352849.db2.gz AQZBVILJUYRWCW-LWYYNNOASA-N 2 1 316.489 3.036 10 0 DGAEMP c1ccc([C@H](C[C@H]2CCOC2)[NH2+][C@H]2CC[NH2+]C23CCC3)cc1 ZINC000530222789 313342488 /nfs/dbraw/zinc/34/24/88/313342488.db2.gz RQQKYVTUCRAZRX-NJAFHUGGSA-N 2 1 300.446 3.029 10 0 DGAEMP C[C@H](NC[C@]1(C)CCC[N@H+]1Cc1ccccc1)[C@H]1CCC[NH2+]C1 ZINC000566091142 315311322 /nfs/dbraw/zinc/31/13/22/315311322.db2.gz STPVNNRMTKKVRZ-IHPCNDPISA-N 2 1 315.505 3.019 10 0 DGAEMP C[C@H]([NH2+]C[C@]1(C)CCCN1Cc1ccccc1)[C@H]1CCC[NH2+]C1 ZINC000566091142 315311324 /nfs/dbraw/zinc/31/13/24/315311324.db2.gz STPVNNRMTKKVRZ-IHPCNDPISA-N 2 1 315.505 3.019 10 0 DGAEMP Cc1[nH+]ccn1CC[NH2+]Cc1ccc(C)cc1Br ZINC000385078684 1177154079 /nfs/dbraw/zinc/15/40/79/1177154079.db2.gz WBMRDRVZVANTGG-UHFFFAOYSA-N 2 1 308.223 3.052 10 0 DGAEMP C[C@H]([NH2+][C@H]1CCOC1(C)C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000294924000 534006056 /nfs/dbraw/zinc/00/60/56/534006056.db2.gz YZZDBLQMUCXGRD-SZMVWBNQSA-N 2 1 302.462 3.054 10 0 DGAEMP Cc1ccc2[nH+]ccc(N3CC[NH+](Cc4ccccn4)CC3)c2c1 ZINC000302142154 534521625 /nfs/dbraw/zinc/52/16/25/534521625.db2.gz FMKSNTGSYVBXAO-UHFFFAOYSA-N 2 1 318.424 3.260 10 0 DGAEMP CCC[N@H+]1CC[C@H](C[NH2+]C2CC(OCc3ccccc3)C2)C1 ZINC000493916435 534955701 /nfs/dbraw/zinc/95/57/01/534955701.db2.gz JTWFIYOABQTLQM-LMDPOFIKSA-N 2 1 302.462 3.056 10 0 DGAEMP Cc1ccc(NC(=O)CN(C)[C@H]2CC[N@@H+](C)[C@H](C)C2)cc1Cl ZINC000123798421 545907590 /nfs/dbraw/zinc/90/75/90/545907590.db2.gz GIAVBAMBINFSHX-HIFRSBDPSA-N 2 1 323.868 3.001 10 0 DGAEMP C[N@H+]1CCCN(CCC[NH2+]Cc2ccc(C(C)(C)C)s2)CC1 ZINC000127075723 545927341 /nfs/dbraw/zinc/92/73/41/545927341.db2.gz NQTYRYPSEKYELO-UHFFFAOYSA-N 2 1 323.550 3.163 10 0 DGAEMP C[C@H]1C[C@H]([NH2+]CC2CCC(O)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000379628618 546735172 /nfs/dbraw/zinc/73/51/72/546735172.db2.gz NUCDRHZRTOIHRK-AILXTGBUSA-N 2 1 316.489 3.180 10 0 DGAEMP C[C@H]1C[C@H]([NH2+]CC2CCC(O)CC2)CC[N@H+]1Cc1ccccc1 ZINC000379628618 546735177 /nfs/dbraw/zinc/73/51/77/546735177.db2.gz NUCDRHZRTOIHRK-AILXTGBUSA-N 2 1 316.489 3.180 10 0 DGAEMP Cc1cc(N[C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)cc[nH+]1 ZINC000381907051 546740747 /nfs/dbraw/zinc/74/07/47/546740747.db2.gz YLNXIWZNLYTVHG-YSIASYRMSA-N 2 1 307.441 3.134 10 0 DGAEMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC1CCC(O)CC1 ZINC000398143398 546763706 /nfs/dbraw/zinc/76/37/06/546763706.db2.gz NARJHCAHUWTHEJ-OQUMVOOASA-N 2 1 316.489 3.038 10 0 DGAEMP CCCC[N@H+](C)C1CCN(Cc2[nH+]cc(C)c(OC)c2C)CC1 ZINC000091708849 660458683 /nfs/dbraw/zinc/45/86/83/660458683.db2.gz OGWTTXGEFPRFRG-UHFFFAOYSA-N 2 1 319.493 3.403 10 0 DGAEMP CCCC[N@@H+](C)C1CCN(Cc2[nH+]cc(C)c(OC)c2C)CC1 ZINC000091708849 660458684 /nfs/dbraw/zinc/45/86/84/660458684.db2.gz OGWTTXGEFPRFRG-UHFFFAOYSA-N 2 1 319.493 3.403 10 0 DGAEMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]C1CCC(C)(O)CC1 ZINC000708561591 660924700 /nfs/dbraw/zinc/92/47/00/660924700.db2.gz UDADJSTUDBNEPL-HSFDUWRESA-N 2 1 316.489 3.038 10 0 DGAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cn1ccc(-c2ccccc2)n1 ZINC000176079727 655732129 /nfs/dbraw/zinc/73/21/29/655732129.db2.gz CUIDHHZWVJSLIM-GOSISDBHSA-N 2 1 321.428 3.177 10 0 DGAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cn1ccc(-c2ccccc2)n1 ZINC000176079727 655732130 /nfs/dbraw/zinc/73/21/30/655732130.db2.gz CUIDHHZWVJSLIM-GOSISDBHSA-N 2 1 321.428 3.177 10 0 DGAEMP Cc1nccn1C[C@@H]1CCC[N@H+]1Cn1cc(-c2ccccc2)cn1 ZINC000176084346 655733378 /nfs/dbraw/zinc/73/33/78/655733378.db2.gz GDSKUXQGXBDRRZ-IBGZPJMESA-N 2 1 321.428 3.177 10 0 DGAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cn1cc(-c2ccccc2)cn1 ZINC000176084346 655733382 /nfs/dbraw/zinc/73/33/82/655733382.db2.gz GDSKUXQGXBDRRZ-IBGZPJMESA-N 2 1 321.428 3.177 10 0 DGAEMP C[C@]1(C[N@H+]2CCCCC[C@H]2C[C@@H](O)c2cccs2)CC[NH2+]C1 ZINC000262068677 655768875 /nfs/dbraw/zinc/76/88/75/655768875.db2.gz RVDLTCVMNDIZHN-JZXOWHBKSA-N 2 1 322.518 3.416 10 0 DGAEMP CC(C)[C@](C)(O)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716619033 661224863 /nfs/dbraw/zinc/22/48/63/661224863.db2.gz AOWOVLOYMVETKX-ZGXWSNOMSA-N 2 1 316.489 3.036 10 0 DGAEMP C[C@@H](CO)CCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716623040 661225280 /nfs/dbraw/zinc/22/52/80/661225280.db2.gz XEHWDJXCGABGQY-MDNKFWRPSA-N 2 1 316.489 3.038 10 0 DGAEMP Cc1cc(Cl)cc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c1O ZINC000245641548 656393208 /nfs/dbraw/zinc/39/32/08/656393208.db2.gz DONRYTFZMVZDDV-XJKSGUPXSA-N 2 1 308.853 3.270 10 0 DGAEMP C[C@]1(C[N@H+]2CCCCC[C@H]2C[C@H](O)c2cccs2)CC[NH2+]C1 ZINC000262068675 657305902 /nfs/dbraw/zinc/30/59/02/657305902.db2.gz RVDLTCVMNDIZHN-BQFCYCMXSA-N 2 1 322.518 3.416 10 0 DGAEMP Cc1ccc(C[NH2+]C2CC[NH+](C)CC2)c(C)c1Br ZINC000719561026 662292632 /nfs/dbraw/zinc/29/26/32/662292632.db2.gz FSCZPYCEUBHOCG-UHFFFAOYSA-N 2 1 311.267 3.250 10 0 DGAEMP COC(C)(C)[C@@H](C)[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000720148536 662302784 /nfs/dbraw/zinc/30/27/84/662302784.db2.gz KXDJYOMFZCXSQV-BVBHFADKSA-N 2 1 316.489 3.443 10 0 DGAEMP Cc1cc(C)cc([C@H](O)C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c1 ZINC000247482150 662322154 /nfs/dbraw/zinc/32/21/54/662322154.db2.gz KEOFDYLLZCBISA-AZUAARDMSA-N 2 1 316.489 3.145 10 0 DGAEMP Cc1cc(C)cc([C@H](O)C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c1 ZINC000247482150 662322155 /nfs/dbraw/zinc/32/21/55/662322155.db2.gz KEOFDYLLZCBISA-AZUAARDMSA-N 2 1 316.489 3.145 10 0 DGAEMP CO[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000379654777 685149030 /nfs/dbraw/zinc/14/90/30/685149030.db2.gz JPIKEASACYKFMY-WZGPROSRSA-N 2 1 302.462 3.197 10 0 DGAEMP CO[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000379654777 685149041 /nfs/dbraw/zinc/14/90/41/685149041.db2.gz JPIKEASACYKFMY-WZGPROSRSA-N 2 1 302.462 3.197 10 0 DGAEMP CC[NH+]1CCC(NC[C@@H]2CCCC[N@H+]2Cc2ccccc2)CC1 ZINC000379638569 685149305 /nfs/dbraw/zinc/14/93/05/685149305.db2.gz ACEVPQWQWMHUKS-FQEVSTJZSA-N 2 1 315.505 3.115 10 0 DGAEMP CC[NH+]1CCC([NH2+]C[C@@H]2CCCCN2Cc2ccccc2)CC1 ZINC000379638569 685149311 /nfs/dbraw/zinc/14/93/11/685149311.db2.gz ACEVPQWQWMHUKS-FQEVSTJZSA-N 2 1 315.505 3.115 10 0 DGAEMP CO[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000379654778 685149405 /nfs/dbraw/zinc/14/94/05/685149405.db2.gz JPIKEASACYKFMY-XGXHKWSGSA-N 2 1 302.462 3.197 10 0 DGAEMP CO[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000379654778 685149408 /nfs/dbraw/zinc/14/94/08/685149408.db2.gz JPIKEASACYKFMY-XGXHKWSGSA-N 2 1 302.462 3.197 10 0 DGAEMP CO[C@@H]1CCC[C@@H]1[NH2+]C[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000382026463 685161653 /nfs/dbraw/zinc/16/16/53/685161653.db2.gz BFGKSTNUPDRSAV-IPMKNSEASA-N 2 1 302.462 3.056 10 0 DGAEMP CO[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000398121548 685234732 /nfs/dbraw/zinc/23/47/32/685234732.db2.gz HEXHHXKXHQDAOA-OQIJWPOYSA-N 2 1 302.462 3.054 10 0 DGAEMP CO[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000398121548 685234739 /nfs/dbraw/zinc/23/47/39/685234739.db2.gz HEXHHXKXHQDAOA-OQIJWPOYSA-N 2 1 302.462 3.054 10 0 DGAEMP c1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH2+]C[C@@H]4CCSC4)[C@@H]3C2)cc1 ZINC000278745179 214370895 /nfs/dbraw/zinc/37/08/95/214370895.db2.gz MTDWWWCRMSPKJA-OKYOBFRVSA-N 2 1 316.514 3.240 10 0 DGAEMP COc1cccc(F)c1[C@H](C)[NH2+]CCCCn1cc[nH+]c1C ZINC000164627851 432050026 /nfs/dbraw/zinc/05/00/26/432050026.db2.gz KJLIDYIVONGSAO-ZDUSSCGKSA-N 2 1 305.397 3.470 10 0 DGAEMP CCN1CCC[C@@H]([NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)C1 ZINC000133035248 432057551 /nfs/dbraw/zinc/05/75/51/432057551.db2.gz PGKIJZMNCQRUSB-MAUKXSAKSA-N 2 1 312.461 3.316 10 0 DGAEMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)[C@H]1CCCO1 ZINC000180107482 199117876 /nfs/dbraw/zinc/11/78/76/199117876.db2.gz RKGJOLJBQHOZHY-QFMLELGNSA-N 2 1 314.473 3.339 10 0 DGAEMP c1cc(OCC2CC2)ccc1C[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000415033294 237021705 /nfs/dbraw/zinc/02/17/05/237021705.db2.gz BMAFCCARQFUBQX-ICSRJNTNSA-N 2 1 314.473 3.439 10 0 DGAEMP C[C@H]1C[C@H]([NH+](C)Cc2ccc3c(c2)COC(C)(C)O3)CC[N@@H+]1C ZINC000186830683 200018490 /nfs/dbraw/zinc/01/84/90/200018490.db2.gz FVRMYQRMFFCRSK-WMLDXEAASA-N 2 1 318.461 3.246 10 0 DGAEMP C[C@H]1C[C@H]([NH+](C)Cc2ccc3c(c2)COC(C)(C)O3)CC[N@H+]1C ZINC000186830683 200018492 /nfs/dbraw/zinc/01/84/92/200018492.db2.gz FVRMYQRMFFCRSK-WMLDXEAASA-N 2 1 318.461 3.246 10 0 DGAEMP C[C@H]1C[C@H]([N@H+](C)Cc2ccc3c(c2)COC(C)(C)O3)CC[NH+]1C ZINC000186830683 200018494 /nfs/dbraw/zinc/01/84/94/200018494.db2.gz FVRMYQRMFFCRSK-WMLDXEAASA-N 2 1 318.461 3.246 10 0 DGAEMP C[C@H]1C[C@H]([N@@H+](C)Cc2ccc3c(c2)COC(C)(C)O3)CC[NH+]1C ZINC000186830683 200018495 /nfs/dbraw/zinc/01/84/95/200018495.db2.gz FVRMYQRMFFCRSK-WMLDXEAASA-N 2 1 318.461 3.246 10 0 DGAEMP C[C@@H]1C[C@H]([N@@H+](C)Cc2cn(C)nc2-c2cccs2)CCN1C ZINC000180424296 432086162 /nfs/dbraw/zinc/08/61/62/432086162.db2.gz BTQRGOGREOCWFY-UKRRQHHQSA-N 2 1 318.490 3.063 10 0 DGAEMP C[C@@H]1C[C@H](N(C)Cc2cn(C)nc2-c2cccs2)CC[N@@H+]1C ZINC000180424296 432086164 /nfs/dbraw/zinc/08/61/64/432086164.db2.gz BTQRGOGREOCWFY-UKRRQHHQSA-N 2 1 318.490 3.063 10 0 DGAEMP C[C@@H]1C[C@H](N(C)Cc2cn(C)nc2-c2cccs2)CC[N@H+]1C ZINC000180424296 432086166 /nfs/dbraw/zinc/08/61/66/432086166.db2.gz BTQRGOGREOCWFY-UKRRQHHQSA-N 2 1 318.490 3.063 10 0 DGAEMP C[N@@H+](Cc1cccnc1)C[C@H]1CC[NH+](CCC2CCCC2)C1 ZINC000195299511 201375544 /nfs/dbraw/zinc/37/55/44/201375544.db2.gz MCLAMEAKUDSNCJ-LJQANCHMSA-N 2 1 301.478 3.416 10 0 DGAEMP C[N@H+](Cc1cccnc1)C[C@H]1CC[NH+](CCC2CCCC2)C1 ZINC000195299511 201375548 /nfs/dbraw/zinc/37/55/48/201375548.db2.gz MCLAMEAKUDSNCJ-LJQANCHMSA-N 2 1 301.478 3.416 10 0 DGAEMP C[NH+](Cc1cccnc1)C[C@H]1CC[N@H+](CCC2CCCC2)C1 ZINC000195299511 201375551 /nfs/dbraw/zinc/37/55/51/201375551.db2.gz MCLAMEAKUDSNCJ-LJQANCHMSA-N 2 1 301.478 3.416 10 0 DGAEMP C[NH+](Cc1cccnc1)C[C@H]1CC[N@@H+](CCC2CCCC2)C1 ZINC000195299511 201375554 /nfs/dbraw/zinc/37/55/54/201375554.db2.gz MCLAMEAKUDSNCJ-LJQANCHMSA-N 2 1 301.478 3.416 10 0 DGAEMP c1c2cccnc2oc1C[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000449295287 240115705 /nfs/dbraw/zinc/11/57/05/240115705.db2.gz RFLOQKGWKXVWAP-QGZVFWFLSA-N 2 1 321.424 3.440 10 0 DGAEMP c1c2cccnc2oc1C[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000449295287 240115709 /nfs/dbraw/zinc/11/57/09/240115709.db2.gz RFLOQKGWKXVWAP-QGZVFWFLSA-N 2 1 321.424 3.440 10 0 DGAEMP COc1cccc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1 ZINC000246282794 432115681 /nfs/dbraw/zinc/11/56/81/432115681.db2.gz BAHIIMDFDRFBFF-QFBILLFUSA-N 2 1 300.446 3.144 10 0 DGAEMP COc1cccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000246282794 432115682 /nfs/dbraw/zinc/11/56/82/432115682.db2.gz BAHIIMDFDRFBFF-QFBILLFUSA-N 2 1 300.446 3.144 10 0 DGAEMP COc1cccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000246282794 432115685 /nfs/dbraw/zinc/11/56/85/432115685.db2.gz BAHIIMDFDRFBFF-QFBILLFUSA-N 2 1 300.446 3.144 10 0 DGAEMP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2cc(C)c(OC)c(C)c2)C1 ZINC000093742110 284014093 /nfs/dbraw/zinc/01/40/93/284014093.db2.gz RPXGBUBPVKYNGL-QGZVFWFLSA-N 2 1 304.478 3.476 10 0 DGAEMP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2cc(C)c(OC)c(C)c2)C1 ZINC000093742110 284014098 /nfs/dbraw/zinc/01/40/98/284014098.db2.gz RPXGBUBPVKYNGL-QGZVFWFLSA-N 2 1 304.478 3.476 10 0 DGAEMP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2cc(C)c(OC)c(C)c2)C1 ZINC000093742110 284014102 /nfs/dbraw/zinc/01/41/02/284014102.db2.gz RPXGBUBPVKYNGL-QGZVFWFLSA-N 2 1 304.478 3.476 10 0 DGAEMP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2cc(C)c(OC)c(C)c2)C1 ZINC000093742110 284014107 /nfs/dbraw/zinc/01/41/07/284014107.db2.gz RPXGBUBPVKYNGL-QGZVFWFLSA-N 2 1 304.478 3.476 10 0 DGAEMP COCC(C)(C)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000494027590 246105870 /nfs/dbraw/zinc/10/58/70/246105870.db2.gz MYNWFEXESJNUQZ-YQQQUEKLSA-N 2 1 316.489 3.444 10 0 DGAEMP CCO[C@@H]1C[C@@H]([NH2+]C2CCN(c3cccc(C)[nH+]3)CC2)C1(C)C ZINC000181766160 432143205 /nfs/dbraw/zinc/14/32/05/432143205.db2.gz PIGPBTDYVJXFLL-IAGOWNOFSA-N 2 1 317.477 3.152 10 0 DGAEMP C[C@@H](CCc1ccc(OC(F)F)cc1)[NH2+]C1CC[NH+](C)CC1 ZINC000119713004 195023932 /nfs/dbraw/zinc/02/39/32/195023932.db2.gz HOYOHGDPOJCKBO-ZDUSSCGKSA-N 2 1 312.404 3.293 10 0 DGAEMP COC[C@H](C)C[NH2+][C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000249768955 285088026 /nfs/dbraw/zinc/08/80/26/285088026.db2.gz JCODTVMLNSAWOT-VXNCWWDNSA-N 2 1 304.478 3.015 10 0 DGAEMP C[C@@H]1C[C@H]([NH2+][C@H]2CCOC2(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000294678413 224162773 /nfs/dbraw/zinc/16/27/73/224162773.db2.gz IAAQYAKIMFBRNJ-NXHRZFHOSA-N 2 1 302.462 3.197 10 0 DGAEMP C[C@@H]1C[C@H]([NH2+][C@H]2CCOC2(C)C)CC[N@H+]1Cc1ccccc1 ZINC000294678413 224162775 /nfs/dbraw/zinc/16/27/75/224162775.db2.gz IAAQYAKIMFBRNJ-NXHRZFHOSA-N 2 1 302.462 3.197 10 0 DGAEMP C[C@H]([NH2+][C@@H]1CCOC1(C)C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000294923988 224313720 /nfs/dbraw/zinc/31/37/20/224313720.db2.gz YZZDBLQMUCXGRD-CGTJXYLNSA-N 2 1 302.462 3.054 10 0 DGAEMP C[N@@H+](Cc1cccc(Cl)c1F)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000328656602 400184237 /nfs/dbraw/zinc/18/42/37/400184237.db2.gz ZMBFNWLNOGSSEJ-LBPRGKRZSA-N 2 1 307.800 3.370 10 0 DGAEMP C[N@H+](Cc1cccc(Cl)c1F)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000328656602 400184240 /nfs/dbraw/zinc/18/42/40/400184240.db2.gz ZMBFNWLNOGSSEJ-LBPRGKRZSA-N 2 1 307.800 3.370 10 0 DGAEMP C[C@]1(C[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CCCS1 ZINC000392896285 400278658 /nfs/dbraw/zinc/27/86/58/400278658.db2.gz LTCIIULRKOHCCO-QZTJIDSGSA-N 2 1 304.503 3.384 10 0 DGAEMP CC[C@@H](c1ccccc1)[NH+]1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000109752619 400354494 /nfs/dbraw/zinc/35/44/94/400354494.db2.gz QJABGMAVUPMSSP-UXHICEINSA-N 2 1 315.505 3.240 10 0 DGAEMP CC[C@H](c1ccc(Br)cc1)[N@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC000631839301 401560020 /nfs/dbraw/zinc/56/00/20/401560020.db2.gz DEFADDWIRHXTCU-NJZAAPMLSA-N 2 1 311.267 3.427 10 0 DGAEMP C[N@@H+]1CCC[C@H](C[NH2+]C[C@H]2CCSC2)[C@H]1c1cccs1 ZINC000373301646 165936809 /nfs/dbraw/zinc/93/68/09/165936809.db2.gz UYCBYXAKRNDBRR-FMKPAKJESA-N 2 1 310.532 3.474 10 0 DGAEMP C[N@H+]1CCC[C@H](C[NH2+]C[C@H]2CCSC2)[C@H]1c1cccs1 ZINC000373301646 165936812 /nfs/dbraw/zinc/93/68/12/165936812.db2.gz UYCBYXAKRNDBRR-FMKPAKJESA-N 2 1 310.532 3.474 10 0 DGAEMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)[C@H]2CCCc3ccccc32)CC1 ZINC000247926588 287086588 /nfs/dbraw/zinc/08/65/88/287086588.db2.gz ZXHVHTGOCHZMGT-UZLBHIALSA-N 2 1 316.489 3.089 10 0 DGAEMP C[C@@H](NC[C@@]1(C)CCC[N@H+]1Cc1ccccc1)c1cnn(C)c1 ZINC000187702868 165100797 /nfs/dbraw/zinc/10/07/97/165100797.db2.gz WKDFFPDJSZCOHX-VQIMIIECSA-N 2 1 312.461 3.125 10 0 DGAEMP c1ccc(OCCC[N@H+]2CC[C@H](CNc3ccccn3)C2)cc1 ZINC000171645467 432153894 /nfs/dbraw/zinc/15/38/94/432153894.db2.gz MJSNVUOQDAALNP-QGZVFWFLSA-N 2 1 311.429 3.285 10 0 DGAEMP C[C@H]1C[NH+](CCCCC[N@H+]2CCS[C@@H](C)C2)CCS1 ZINC000246937918 432183263 /nfs/dbraw/zinc/18/32/63/432183263.db2.gz JKVYIPVSGWPLIR-GJZGRUSLSA-N 2 1 302.553 3.031 10 0 DGAEMP C[C@@H]1C[C@H](NC[C@H]2CCCC[NH+]2Cc2ccccc2)CC[N@H+]1C ZINC000246935535 432183513 /nfs/dbraw/zinc/18/35/13/432183513.db2.gz HHNWLPMQHRKSDS-MISYRCLQSA-N 2 1 315.505 3.113 10 0 DGAEMP C[C@@H]1C[C@H](NC[C@H]2CCCC[N@@H+]2Cc2ccccc2)CC[NH+]1C ZINC000246935535 432183517 /nfs/dbraw/zinc/18/35/17/432183517.db2.gz HHNWLPMQHRKSDS-MISYRCLQSA-N 2 1 315.505 3.113 10 0 DGAEMP C[C@@H]1C[C@H](NC[C@H]2CCCC[N@H+]2Cc2ccccc2)CC[NH+]1C ZINC000246935535 432183519 /nfs/dbraw/zinc/18/35/19/432183519.db2.gz HHNWLPMQHRKSDS-MISYRCLQSA-N 2 1 315.505 3.113 10 0 DGAEMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCCCN2Cc2ccccc2)CC[N@@H+]1C ZINC000246935535 432183522 /nfs/dbraw/zinc/18/35/22/432183522.db2.gz HHNWLPMQHRKSDS-MISYRCLQSA-N 2 1 315.505 3.113 10 0 DGAEMP COc1ccc(OC)c([C@@H]2CCC[N@@H+]2CC[C@H]2CCC[NH+]2C)c1 ZINC000247129025 432205331 /nfs/dbraw/zinc/20/53/31/432205331.db2.gz NLKCIBOTSLRUMP-QAPCUYQASA-N 2 1 318.461 3.325 10 0 DGAEMP COc1ccc(OC)c([C@@H]2CCC[N@H+]2CC[C@H]2CCC[NH+]2C)c1 ZINC000247129025 432205336 /nfs/dbraw/zinc/20/53/36/432205336.db2.gz NLKCIBOTSLRUMP-QAPCUYQASA-N 2 1 318.461 3.325 10 0 DGAEMP COc1ccc(OC)c([C@@H]2CCC[NH+]2CC[C@H]2CCC[N@@H+]2C)c1 ZINC000247129025 432205340 /nfs/dbraw/zinc/20/53/40/432205340.db2.gz NLKCIBOTSLRUMP-QAPCUYQASA-N 2 1 318.461 3.325 10 0 DGAEMP COc1ccc(OC)c([C@@H]2CCC[NH+]2CC[C@H]2CCC[N@H+]2C)c1 ZINC000247129025 432205343 /nfs/dbraw/zinc/20/53/43/432205343.db2.gz NLKCIBOTSLRUMP-QAPCUYQASA-N 2 1 318.461 3.325 10 0 DGAEMP COc1cccc(C[N@H+]2CC[C@H](CNc3cccc(C)n3)C2)c1 ZINC000151111644 432220014 /nfs/dbraw/zinc/22/00/14/432220014.db2.gz BGMWSGHYBYBTAB-QGZVFWFLSA-N 2 1 311.429 3.333 10 0 DGAEMP COc1cccc(C[N@H+]2CC[C@H](CNc3cccc(C)[nH+]3)C2)c1 ZINC000151111644 432220026 /nfs/dbraw/zinc/22/00/26/432220026.db2.gz BGMWSGHYBYBTAB-QGZVFWFLSA-N 2 1 311.429 3.333 10 0 DGAEMP Cc1cccc([C@H](C)[N@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)c1 ZINC000173682207 228283399 /nfs/dbraw/zinc/28/33/99/228283399.db2.gz HHSDQALZGLMDDE-SJORKVTESA-N 2 1 304.478 3.081 10 0 DGAEMP C[C@@H]1CC[C@@H]([NH2+]C[C@H](O)C[NH+]2CCCCC2)c2ccccc21 ZINC000151315059 432235730 /nfs/dbraw/zinc/23/57/30/432235730.db2.gz RHYMDQLUDFDRFZ-JTDSTZFVSA-N 2 1 302.462 3.061 10 0 DGAEMP CC[C@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)c1ccc(Cl)cc1 ZINC000151339127 432237409 /nfs/dbraw/zinc/23/74/09/432237409.db2.gz VDGJIJDVMUQKNA-IRXDYDNUSA-N 2 1 310.869 3.228 10 0 DGAEMP CN1CCN([C@H]2CCCC[N@@H+](CC3CCC(C)(C)CC3)C2)CC1 ZINC000182891520 432240539 /nfs/dbraw/zinc/24/05/39/432240539.db2.gz QXIPYXGTCHOJOL-IBGZPJMESA-N 2 1 321.553 3.305 10 0 DGAEMP C[NH+]1CCN([C@H]2CCCC[N@H+](CC3CCC(C)(C)CC3)C2)CC1 ZINC000182891520 432240543 /nfs/dbraw/zinc/24/05/43/432240543.db2.gz QXIPYXGTCHOJOL-IBGZPJMESA-N 2 1 321.553 3.305 10 0 DGAEMP C[NH+]1CCN([C@H]2CCCC[N@@H+](CC3CCC(C)(C)CC3)C2)CC1 ZINC000182891520 432240547 /nfs/dbraw/zinc/24/05/47/432240547.db2.gz QXIPYXGTCHOJOL-IBGZPJMESA-N 2 1 321.553 3.305 10 0 DGAEMP C[C@@H](CCN[C@@H]1CCCc2n[nH]cc21)[N@@H+](C)Cc1ccccc1 ZINC000367601923 271048576 /nfs/dbraw/zinc/04/85/76/271048576.db2.gz QKJQMCHTWPWHCC-MAUKXSAKSA-N 2 1 312.461 3.287 10 0 DGAEMP C[C@@H](CC[NH2+][C@@H]1CCCc2n[nH]cc21)[N@@H+](C)Cc1ccccc1 ZINC000367601923 271048580 /nfs/dbraw/zinc/04/85/80/271048580.db2.gz QKJQMCHTWPWHCC-MAUKXSAKSA-N 2 1 312.461 3.287 10 0 DGAEMP Cc1cccc(NC[C@@H]2CC[N@H+](C[C@H](O)CC3CCCC3)C2)[nH+]1 ZINC000191324987 432251686 /nfs/dbraw/zinc/25/16/86/432251686.db2.gz DPXVSAYXTFZRPF-ZWKOTPCHSA-N 2 1 317.477 3.065 10 0 DGAEMP Cc1cccc(NC[C@@H]2CC[N@@H+](C[C@H](O)CC3CCCC3)C2)[nH+]1 ZINC000191324987 432251687 /nfs/dbraw/zinc/25/16/87/432251687.db2.gz DPXVSAYXTFZRPF-ZWKOTPCHSA-N 2 1 317.477 3.065 10 0 DGAEMP COc1ccc(C)cc1[C@@H](C)NCc1cccnc1-n1ccnc1 ZINC000151504273 432252038 /nfs/dbraw/zinc/25/20/38/432252038.db2.gz ZGUASCFKRBOLGJ-OAHLLOKOSA-N 2 1 322.412 3.435 10 0 DGAEMP C[C@]1(CNc2ncnc3[nH]ccc32)CCC[N@H+]1Cc1ccccc1 ZINC000489949378 429268865 /nfs/dbraw/zinc/26/88/65/429268865.db2.gz UGYDCBDLEJPQBK-LJQANCHMSA-N 2 1 321.428 3.425 10 0 DGAEMP CC(C)c1cccc(NC(=O)CN(C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000123318353 431861853 /nfs/dbraw/zinc/86/18/53/431861853.db2.gz BYELZIVVEDMYKO-MAUKXSAKSA-N 2 1 317.477 3.163 10 0 DGAEMP C[C@H]1C[C@@H]([N@@H+](C)Cc2ccc(OC(F)(F)F)cc2)CCN1C ZINC000123602848 431869415 /nfs/dbraw/zinc/86/94/15/431869415.db2.gz DIBTYGKONUVWQN-JSGCOSHPSA-N 2 1 316.367 3.500 10 0 DGAEMP C[C@H]1C[C@@H](N(C)Cc2ccc(OC(F)(F)F)cc2)CC[N@@H+]1C ZINC000123602848 431869416 /nfs/dbraw/zinc/86/94/16/431869416.db2.gz DIBTYGKONUVWQN-JSGCOSHPSA-N 2 1 316.367 3.500 10 0 DGAEMP C[C@H]1C[C@@H](N(C)Cc2ccc(OC(F)(F)F)cc2)CC[N@H+]1C ZINC000123602848 431869419 /nfs/dbraw/zinc/86/94/19/431869419.db2.gz DIBTYGKONUVWQN-JSGCOSHPSA-N 2 1 316.367 3.500 10 0 DGAEMP C[C@H]1C[C@@H]([NH+](C)Cc2ccc(OC(F)(F)F)cc2)CC[N@@H+]1C ZINC000123602848 431869422 /nfs/dbraw/zinc/86/94/22/431869422.db2.gz DIBTYGKONUVWQN-JSGCOSHPSA-N 2 1 316.367 3.500 10 0 DGAEMP C[C@H]1C[C@@H]([NH+](C)Cc2ccc(OC(F)(F)F)cc2)CC[N@H+]1C ZINC000123602848 431869424 /nfs/dbraw/zinc/86/94/24/431869424.db2.gz DIBTYGKONUVWQN-JSGCOSHPSA-N 2 1 316.367 3.500 10 0 DGAEMP C[C@H]1C[C@@H]([N@H+](C)Cc2ccc(OC(F)(F)F)cc2)CC[NH+]1C ZINC000123602848 431869427 /nfs/dbraw/zinc/86/94/27/431869427.db2.gz DIBTYGKONUVWQN-JSGCOSHPSA-N 2 1 316.367 3.500 10 0 DGAEMP C[C@H]1C[C@@H]([N@@H+](C)Cc2ccc(OC(F)(F)F)cc2)CC[NH+]1C ZINC000123602848 431869428 /nfs/dbraw/zinc/86/94/28/431869428.db2.gz DIBTYGKONUVWQN-JSGCOSHPSA-N 2 1 316.367 3.500 10 0 DGAEMP CC[NH+](CC)[C@@H](C)C[NH2+]C1CCC(C(=O)OC(C)(C)C)CC1 ZINC000092560480 431909449 /nfs/dbraw/zinc/90/94/49/431909449.db2.gz LNYYVMZJQAVVAE-FHERZECASA-N 2 1 312.498 3.207 10 0 DGAEMP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc(Br)c(F)c2)C1 ZINC000127403091 431971291 /nfs/dbraw/zinc/97/12/91/431971291.db2.gz UVZWOMAGJQFVKI-LBPRGKRZSA-N 2 1 315.230 3.020 10 0 DGAEMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(Br)c(F)c2)C1 ZINC000127403091 431971293 /nfs/dbraw/zinc/97/12/93/431971293.db2.gz UVZWOMAGJQFVKI-LBPRGKRZSA-N 2 1 315.230 3.020 10 0 DGAEMP CC[N@@H+]1CC[C@H](C[NH2+]Cc2ccc(Br)c(F)c2)C1 ZINC000127402840 431971968 /nfs/dbraw/zinc/97/19/68/431971968.db2.gz UVZWOMAGJQFVKI-GFCCVEGCSA-N 2 1 315.230 3.020 10 0 DGAEMP CC[N@H+]1CC[C@H](C[NH2+]Cc2ccc(Br)c(F)c2)C1 ZINC000127402840 431971969 /nfs/dbraw/zinc/97/19/69/431971969.db2.gz UVZWOMAGJQFVKI-GFCCVEGCSA-N 2 1 315.230 3.020 10 0 DGAEMP Cc1cccc(NC[C@H]2CC[N@@H+](Cc3ccc4c[nH]nc4c3)C2)n1 ZINC000128270832 431991159 /nfs/dbraw/zinc/99/11/59/431991159.db2.gz KRQZWMYXWOPMHL-MRXNPFEDSA-N 2 1 321.428 3.200 10 0 DGAEMP Cc1cccc(NC[C@H]2CC[N@H+](Cc3ccc4c[nH]nc4c3)C2)[nH+]1 ZINC000128270832 431991162 /nfs/dbraw/zinc/99/11/62/431991162.db2.gz KRQZWMYXWOPMHL-MRXNPFEDSA-N 2 1 321.428 3.200 10 0 DGAEMP CC[C@@H]1CCC[C@H](C[NH+]2CCN(C[C@H]3CCCC[N@H+]3C)CC2)C1 ZINC000248490863 432295957 /nfs/dbraw/zinc/29/59/57/432295957.db2.gz NQNMQRKODDXUOH-HSALFYBXSA-N 2 1 321.553 3.305 10 0 DGAEMP COc1cc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)ccc1SC ZINC000248014550 432261675 /nfs/dbraw/zinc/26/16/75/432261675.db2.gz LPRIFHLXEZUBLG-HZPDHXFCSA-N 2 1 320.502 3.333 10 0 DGAEMP COc1cc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)ccc1SC ZINC000248014550 432261680 /nfs/dbraw/zinc/26/16/80/432261680.db2.gz LPRIFHLXEZUBLG-HZPDHXFCSA-N 2 1 320.502 3.333 10 0 DGAEMP COc1cc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)ccc1SC ZINC000248014550 432261682 /nfs/dbraw/zinc/26/16/82/432261682.db2.gz LPRIFHLXEZUBLG-HZPDHXFCSA-N 2 1 320.502 3.333 10 0 DGAEMP COc1cc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)ccc1SC ZINC000248014550 432261685 /nfs/dbraw/zinc/26/16/85/432261685.db2.gz LPRIFHLXEZUBLG-HZPDHXFCSA-N 2 1 320.502 3.333 10 0 DGAEMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NCc2nc(C3CC3)no2)cc1 ZINC000183142115 432262568 /nfs/dbraw/zinc/26/25/68/432262568.db2.gz IBLHWMYEKBOUCA-GFCCVEGCSA-N 2 1 323.400 3.292 10 0 DGAEMP C[C@H]1C[C@@H]([N@@H+](C)CCOc2ccc(Cl)c(F)c2)CCN1C ZINC000192056209 432328688 /nfs/dbraw/zinc/32/86/88/432328688.db2.gz GKELFGGMWDVKEJ-STQMWFEESA-N 2 1 314.832 3.272 10 0 DGAEMP C[C@H]1C[C@@H]([N@H+](C)CCOc2ccc(Cl)c(F)c2)CC[NH+]1C ZINC000192056209 432328699 /nfs/dbraw/zinc/32/86/99/432328699.db2.gz GKELFGGMWDVKEJ-STQMWFEESA-N 2 1 314.832 3.272 10 0 DGAEMP C[C@H]1C[C@@H]([N@@H+](C)CCOc2ccc(Cl)c(F)c2)CC[NH+]1C ZINC000192056209 432328702 /nfs/dbraw/zinc/32/87/02/432328702.db2.gz GKELFGGMWDVKEJ-STQMWFEESA-N 2 1 314.832 3.272 10 0 DGAEMP C[C@H]([NH2+]C[C@@H](O)CC1CCCC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248963725 432330416 /nfs/dbraw/zinc/33/04/16/432330416.db2.gz BMNHCRNGTATUNU-IEZWGBDMSA-N 2 1 308.510 3.170 10 0 DGAEMP C[N@@H+](CCOc1ccc(C(F)(F)F)cc1)C[C@@]1(C)CC[NH2+]C1 ZINC000261722153 432445113 /nfs/dbraw/zinc/44/51/13/432445113.db2.gz GBCYGIHPYKEJHT-HNNXBMFYSA-N 2 1 316.367 3.016 10 0 DGAEMP COc1cccc([C@H](C)[N@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)c1 ZINC000261773838 432449484 /nfs/dbraw/zinc/44/94/84/432449484.db2.gz OZDGNMHFLUJPJV-CVAIRZPRSA-N 2 1 310.441 3.431 10 0 DGAEMP c1sc2ccccc2c1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1 ZINC000261839502 432454074 /nfs/dbraw/zinc/45/40/74/432454074.db2.gz AGMVJKNWNBLLJN-BBWFWOEESA-N 2 1 316.470 3.148 10 0 DGAEMP Cc1nc(C(F)(F)F)c(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)s1 ZINC000262122050 432475161 /nfs/dbraw/zinc/47/51/61/432475161.db2.gz MGZKAXXMSRAVJG-HBNTYKKESA-N 2 1 319.396 3.030 10 0 DGAEMP Cc1nc(C(F)(F)F)c(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)s1 ZINC000262122050 432475163 /nfs/dbraw/zinc/47/51/63/432475163.db2.gz MGZKAXXMSRAVJG-HBNTYKKESA-N 2 1 319.396 3.030 10 0 DGAEMP C[C@@H](NC[C@@H]1CCC[N@@H+]1C)c1ccc(F)cc1OC(F)F ZINC000154635314 432510585 /nfs/dbraw/zinc/51/05/85/432510585.db2.gz YRDAVNBTDGVMAN-PWSUYJOCSA-N 2 1 302.340 3.172 10 0 DGAEMP C[C@@H](NC[C@@H]1CCC[N@H+]1C)c1ccc(F)cc1OC(F)F ZINC000154635314 432510590 /nfs/dbraw/zinc/51/05/90/432510590.db2.gz YRDAVNBTDGVMAN-PWSUYJOCSA-N 2 1 302.340 3.172 10 0 DGAEMP c1ccc2cc(CC[NH2+][C@@H]3CCC[C@H]3[C@@H]3COCC[NH2+]3)ccc2c1 ZINC000261943263 432462179 /nfs/dbraw/zinc/46/21/79/432462179.db2.gz NEHXZWXMYYDMSQ-NJYVYQBISA-N 2 1 324.468 3.129 10 0 DGAEMP c1ccc2cc(C[NH2+][C@@H]3CCC[C@H]3[C@H]3COCC[NH2+]3)ccc2c1 ZINC000261995603 432467652 /nfs/dbraw/zinc/46/76/52/432467652.db2.gz UAOSPGKHRKNMHH-VAMGGRTRSA-N 2 1 310.441 3.087 10 0 DGAEMP Cc1cccc(C(C)(C)C[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)c1 ZINC000262005656 432468352 /nfs/dbraw/zinc/46/83/52/432468352.db2.gz UZZGLSLMTPFSND-GUDVDZBRSA-N 2 1 316.489 3.019 10 0 DGAEMP Cc1nc(C[N@H+]2CC[C@H](CNc3ccccn3)C2)sc1C ZINC000176379187 432515834 /nfs/dbraw/zinc/51/58/34/432515834.db2.gz BZQXBNJFVKQVID-CQSZACIVSA-N 2 1 302.447 3.089 10 0 DGAEMP Cc1nc(CN2CC[C@H](CNc3ccccn3)C2)sc1C ZINC000176379187 432515838 /nfs/dbraw/zinc/51/58/38/432515838.db2.gz BZQXBNJFVKQVID-CQSZACIVSA-N 2 1 302.447 3.089 10 0 DGAEMP Cc1nccn1C[C@H]1CCC[N@H+]1Cc1nc2ccccc2s1 ZINC000178748998 432772412 /nfs/dbraw/zinc/77/24/12/432772412.db2.gz RULQFVWMVUGWOT-CQSZACIVSA-N 2 1 312.442 3.466 10 0 DGAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1nc2ccccc2s1 ZINC000178748998 432772420 /nfs/dbraw/zinc/77/24/20/432772420.db2.gz RULQFVWMVUGWOT-CQSZACIVSA-N 2 1 312.442 3.466 10 0 DGAEMP COc1ccc([C@H]2CCC[N@@H+]2CCC[NH+]2CCCC2)cc1OC ZINC000162729911 432831886 /nfs/dbraw/zinc/83/18/86/432831886.db2.gz WUYPLNKNKKBVSF-QGZVFWFLSA-N 2 1 318.461 3.327 10 0 DGAEMP COc1ccc([C@H]2CCC[N@H+]2CCC[NH+]2CCCC2)cc1OC ZINC000162729911 432831889 /nfs/dbraw/zinc/83/18/89/432831889.db2.gz WUYPLNKNKKBVSF-QGZVFWFLSA-N 2 1 318.461 3.327 10 0 DGAEMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC(Nc2ccccc2F)CC1 ZINC000162026876 432809479 /nfs/dbraw/zinc/80/94/79/432809479.db2.gz HWJHLTYOOKSWLK-INIZCTEOSA-N 2 1 305.441 3.186 10 0 DGAEMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+][C@H]1CCCN(c2ccccc2F)C1 ZINC000245580756 432847180 /nfs/dbraw/zinc/84/71/80/432847180.db2.gz GZTLEZIUPPSNOR-CBZIJGRNSA-N 2 1 319.468 3.113 10 0 DGAEMP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2sc(C)cc2Br)C1 ZINC000453591255 433217981 /nfs/dbraw/zinc/21/79/81/433217981.db2.gz PTCTXLTWSZCXSC-NSHDSACASA-N 2 1 317.296 3.250 10 0 DGAEMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2sc(C)cc2Br)C1 ZINC000453591255 433217992 /nfs/dbraw/zinc/21/79/92/433217992.db2.gz PTCTXLTWSZCXSC-NSHDSACASA-N 2 1 317.296 3.250 10 0 DGAEMP C[N@H+](Cc1nccs1)[C@@H]1CC12CC[NH+](C1CCCC1)CC2 ZINC000374832573 433287759 /nfs/dbraw/zinc/28/77/59/433287759.db2.gz LAVPCRIEQMUPFG-OAHLLOKOSA-N 2 1 305.491 3.372 10 0 DGAEMP C[N@@H+](Cc1nccs1)[C@@H]1CC12CC[NH+](C1CCCC1)CC2 ZINC000374832573 433287763 /nfs/dbraw/zinc/28/77/63/433287763.db2.gz LAVPCRIEQMUPFG-OAHLLOKOSA-N 2 1 305.491 3.372 10 0 DGAEMP c1nc([C@H]2CCC[N@H+](CCc3ccncc3)C2)n2c1CCCC2 ZINC000281883263 433418315 /nfs/dbraw/zinc/41/83/15/433418315.db2.gz ALZLCFAPBSDKHQ-KRWDZBQOSA-N 2 1 310.445 3.037 10 0 DGAEMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H]1CCC[C@@H](O)C1 ZINC000361887407 433437368 /nfs/dbraw/zinc/43/73/68/433437368.db2.gz OUALOBGGHYJDEW-AFYVEPGGSA-N 2 1 316.489 3.038 10 0 DGAEMP CCCCc1noc([C@@H](C)[N@@H+]2CCCC3(CC[NH+](C)CC3)C2)n1 ZINC000374170906 293361094 /nfs/dbraw/zinc/36/10/94/293361094.db2.gz BHFMLFJSGAMLIL-OAHLLOKOSA-N 2 1 320.481 3.281 10 0 DGAEMP CCCCc1noc([C@@H](C)[N@H+]2CCCC3(CC[NH+](C)CC3)C2)n1 ZINC000374170906 293361095 /nfs/dbraw/zinc/36/10/95/293361095.db2.gz BHFMLFJSGAMLIL-OAHLLOKOSA-N 2 1 320.481 3.281 10 0 DGAEMP Cc1cc(NC[C@@H](c2cccs2)[N@H+]2CCO[C@@H](C)C2)cc[nH+]1 ZINC000302212343 433815246 /nfs/dbraw/zinc/81/52/46/433815246.db2.gz DUDRQYIICRCERY-HOCLYGCPSA-N 2 1 317.458 3.325 10 0 DGAEMP Cc1cc(NC[C@@H](c2cccs2)[N@@H+]2CCO[C@@H](C)C2)cc[nH+]1 ZINC000302212343 433815255 /nfs/dbraw/zinc/81/52/55/433815255.db2.gz DUDRQYIICRCERY-HOCLYGCPSA-N 2 1 317.458 3.325 10 0 DGAEMP C[C@@H]1CSC[C@@H]1[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000309750629 434098837 /nfs/dbraw/zinc/09/88/37/434098837.db2.gz ZFBYRHJFBYQJAV-FTWQHDNSSA-N 2 1 316.514 3.238 10 0 DGAEMP CC[C@H](O)CCC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000499249061 294082446 /nfs/dbraw/zinc/08/24/46/294082446.db2.gz JASHGHDUERMHCZ-HAGHYFMRSA-N 2 1 316.489 3.323 10 0 DGAEMP [NH3+]C[C@@H]1CCCC[C@H]1NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000379653432 434257154 /nfs/dbraw/zinc/25/71/54/434257154.db2.gz ZPQVNEMKINFZRY-SLFFLAALSA-N 2 1 315.505 3.148 10 0 DGAEMP [NH3+]C[C@@H]1CCCC[C@H]1NC[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000379653432 434257160 /nfs/dbraw/zinc/25/71/60/434257160.db2.gz ZPQVNEMKINFZRY-SLFFLAALSA-N 2 1 315.505 3.148 10 0 DGAEMP c1cncc(C[NH2+]CCC[NH2+][C@@H](c2cccnc2)C2CCC2)c1 ZINC000423187143 434273635 /nfs/dbraw/zinc/27/36/35/434273635.db2.gz LYCNGBFMTYXFOR-LJQANCHMSA-N 2 1 310.445 3.087 10 0 DGAEMP c1ccc2c(c1)OCCC[C@@H]2[NH2+]CCC[NH2+]Cc1cccnc1 ZINC000423190862 434275873 /nfs/dbraw/zinc/27/58/73/434275873.db2.gz RVGZZTRVSUXZPE-SFHVURJKSA-N 2 1 311.429 3.065 10 0 DGAEMP C[C@@H]1C[N@@H+]([C@@H]2CCc3c2cccc3Br)C[C@@]1(C)C[NH3+] ZINC000388297440 434332679 /nfs/dbraw/zinc/33/26/79/434332679.db2.gz ZHPAXPYRQBHXIU-HFBAOOFYSA-N 2 1 323.278 3.353 10 0 DGAEMP C[C@@H]1C[N@H+]([C@@H]2CCc3c2cccc3Br)C[C@@]1(C)C[NH3+] ZINC000388297440 434332692 /nfs/dbraw/zinc/33/26/92/434332692.db2.gz ZHPAXPYRQBHXIU-HFBAOOFYSA-N 2 1 323.278 3.353 10 0 DGAEMP Cc1ccc(CC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)nc1 ZINC000399678051 434479154 /nfs/dbraw/zinc/47/91/54/434479154.db2.gz PCHHSPPGIBYHNN-WIYYLYMNSA-N 2 1 323.484 3.433 10 0 DGAEMP C[C@H](CCCC[NH3+])[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000398033998 434449952 /nfs/dbraw/zinc/44/99/52/434449952.db2.gz OPVLWCIQIHMTKW-ZHALLVOQSA-N 3 1 303.494 3.004 10 0 DGAEMP C[C@H](CCCC[NH3+])[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000398033998 434449959 /nfs/dbraw/zinc/44/99/59/434449959.db2.gz OPVLWCIQIHMTKW-ZHALLVOQSA-N 3 1 303.494 3.004 10 0 DGAEMP CO[C@@H]1CCC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000366815243 434514919 /nfs/dbraw/zinc/51/49/19/434514919.db2.gz ASDMFLNBZLUKPS-DGDSNLKDSA-N 2 1 314.473 3.339 10 0 DGAEMP c1ccc(C[N@H+]2CC[C@@H]([NH2+]CC3=CCCOC3)CC23CC3)cc1 ZINC000579836373 435186133 /nfs/dbraw/zinc/18/61/33/435186133.db2.gz HRCLSTIGQRNPHD-LJQANCHMSA-N 2 1 312.457 3.120 10 0 DGAEMP c1ccc(C[N@@H+]2CC[C@@H]([NH2+]CC3=CCCOC3)CC23CC3)cc1 ZINC000579836373 435186136 /nfs/dbraw/zinc/18/61/36/435186136.db2.gz HRCLSTIGQRNPHD-LJQANCHMSA-N 2 1 312.457 3.120 10 0 DGAEMP c1ccc(C[N@H+]2CC[C@@H]([NH2+]Cc3cccnc3)CC23CC3)cc1 ZINC000569603982 435546915 /nfs/dbraw/zinc/54/69/15/435546915.db2.gz HBFJMZARLCCRIZ-LJQANCHMSA-N 2 1 307.441 3.368 10 0 DGAEMP c1ccc(C[N@@H+]2CC[C@@H]([NH2+]Cc3cccnc3)CC23CC3)cc1 ZINC000569603982 435546919 /nfs/dbraw/zinc/54/69/19/435546919.db2.gz HBFJMZARLCCRIZ-LJQANCHMSA-N 2 1 307.441 3.368 10 0 DGAEMP Brc1c[nH+]ccc1N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000656609561 435983733 /nfs/dbraw/zinc/98/37/33/435983733.db2.gz QGCGPLLZVKZRIY-CYBMUJFWSA-N 2 1 324.266 3.060 10 0 DGAEMP c1ccc(C[N@@H+]2CC[C@H]([NH2+][C@@H]3CCSC3)CC23CC3)cc1 ZINC000566215447 315322954 /nfs/dbraw/zinc/32/29/54/315322954.db2.gz DUJVGPIYSXURCN-DLBZAZTESA-N 2 1 302.487 3.279 10 0 DGAEMP c1ccc(C[N@H+]2CC[C@H]([NH2+][C@@H]3CCSC3)CC23CC3)cc1 ZINC000566215447 315322956 /nfs/dbraw/zinc/32/29/56/315322956.db2.gz DUJVGPIYSXURCN-DLBZAZTESA-N 2 1 302.487 3.279 10 0 DGAEMP CC[N@H+]1CC[C@@H]([NH+](C)CCCCC(=O)OC(C)(C)C)[C@H](C)C1 ZINC000182186834 323286449 /nfs/dbraw/zinc/28/64/49/323286449.db2.gz JALGRKCFZZUMGW-HZPDHXFCSA-N 2 1 312.498 3.161 10 0 DGAEMP CC[NH+]1CC[C@@H]([N@H+](C)CCCCC(=O)OC(C)(C)C)[C@H](C)C1 ZINC000182186834 323286451 /nfs/dbraw/zinc/28/64/51/323286451.db2.gz JALGRKCFZZUMGW-HZPDHXFCSA-N 2 1 312.498 3.161 10 0 DGAEMP CC[NH+]1CC[C@@H]([N@@H+](C)CCCCC(=O)OC(C)(C)C)[C@H](C)C1 ZINC000182186834 323286455 /nfs/dbraw/zinc/28/64/55/323286455.db2.gz JALGRKCFZZUMGW-HZPDHXFCSA-N 2 1 312.498 3.161 10 0 DGAEMP CC[N@H+]1CC[C@@H]([NH+](C)CCCOCc2ccccc2)[C@H](C)C1 ZINC000182528573 323304127 /nfs/dbraw/zinc/30/41/27/323304127.db2.gz WJMYSNKKGGGSFE-IEBWSBKVSA-N 2 1 304.478 3.255 10 0 DGAEMP CC[NH+]1CC[C@@H]([N@H+](C)CCCOCc2ccccc2)[C@H](C)C1 ZINC000182528573 323304131 /nfs/dbraw/zinc/30/41/31/323304131.db2.gz WJMYSNKKGGGSFE-IEBWSBKVSA-N 2 1 304.478 3.255 10 0 DGAEMP CC[NH+]1CC[C@@H]([N@@H+](C)CCCOCc2ccccc2)[C@H](C)C1 ZINC000182528573 323304134 /nfs/dbraw/zinc/30/41/34/323304134.db2.gz WJMYSNKKGGGSFE-IEBWSBKVSA-N 2 1 304.478 3.255 10 0 DGAEMP CC[C@@H]1CCC[C@@H](C[N@@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)C1 ZINC000183057443 323322562 /nfs/dbraw/zinc/32/25/62/323322562.db2.gz LSJPZNMKAPRJPZ-ZHALLVOQSA-N 2 1 310.526 3.227 10 0 DGAEMP c1ccc(C[N@H+]2CC[C@H]([NH2+]CCc3ccccn3)CC23CC3)cc1 ZINC000581369095 324110175 /nfs/dbraw/zinc/11/01/75/324110175.db2.gz DSAKPXALGBAWRT-FQEVSTJZSA-N 2 1 321.468 3.411 10 0 DGAEMP c1ccc(C[N@@H+]2CC[C@H]([NH2+]CCc3ccccn3)CC23CC3)cc1 ZINC000581369095 324110179 /nfs/dbraw/zinc/11/01/79/324110179.db2.gz DSAKPXALGBAWRT-FQEVSTJZSA-N 2 1 321.468 3.411 10 0 DGAEMP c1cn(CCC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)cn1 ZINC000583262551 324332691 /nfs/dbraw/zinc/33/26/91/324332691.db2.gz LBODJDFXFBMWCN-LJQANCHMSA-N 2 1 324.472 3.060 10 0 DGAEMP c1cn(CCC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)cn1 ZINC000583262551 324332695 /nfs/dbraw/zinc/33/26/95/324332695.db2.gz LBODJDFXFBMWCN-LJQANCHMSA-N 2 1 324.472 3.060 10 0 DGAEMP c1cn(CCC[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)cn1 ZINC000583262550 324332741 /nfs/dbraw/zinc/33/27/41/324332741.db2.gz LBODJDFXFBMWCN-IBGZPJMESA-N 2 1 324.472 3.060 10 0 DGAEMP c1cn(CCC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)cn1 ZINC000583262550 324332744 /nfs/dbraw/zinc/33/27/44/324332744.db2.gz LBODJDFXFBMWCN-IBGZPJMESA-N 2 1 324.472 3.060 10 0 DGAEMP c1cncc(-c2ccc(C[NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)cc2)c1 ZINC000339067821 546531737 /nfs/dbraw/zinc/53/17/37/546531737.db2.gz JDNJFJMFESFJDO-UXHICEINSA-N 2 1 307.441 3.465 10 0 DGAEMP C[C@@H]([NH2+]CCOC(C)(C)C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000381305399 546738877 /nfs/dbraw/zinc/73/88/77/546738877.db2.gz JSFJQWXHQWNWNY-AEFFLSMTSA-N 2 1 304.478 3.302 10 0 DGAEMP CC1(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)CCC1 ZINC000390932356 546756366 /nfs/dbraw/zinc/75/63/66/546756366.db2.gz LKHSCNLYGUCLEE-GOSISDBHSA-N 2 1 302.462 3.057 10 0 DGAEMP CC1(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)CCC1 ZINC000390932356 546756374 /nfs/dbraw/zinc/75/63/74/546756374.db2.gz LKHSCNLYGUCLEE-GOSISDBHSA-N 2 1 302.462 3.057 10 0 DGAEMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1CCC(C)(O)CC1 ZINC000702988297 660752290 /nfs/dbraw/zinc/75/22/90/660752290.db2.gz MFEDBZHZOQSAHF-IHJVYAAUSA-N 2 1 316.489 3.180 10 0 DGAEMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1CCC(C)(O)CC1 ZINC000702988297 660752291 /nfs/dbraw/zinc/75/22/91/660752291.db2.gz MFEDBZHZOQSAHF-IHJVYAAUSA-N 2 1 316.489 3.180 10 0 DGAEMP CC1(C)CO[C@H](C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000708401640 660920942 /nfs/dbraw/zinc/92/09/42/660920942.db2.gz ZXZQJKTXBGGKJO-SFHVURJKSA-N 2 1 302.462 3.056 10 0 DGAEMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C[NH2+][C@H]1CCCc2n[nH]cc21 ZINC000708541082 660924304 /nfs/dbraw/zinc/92/43/04/660924304.db2.gz HWIXSZRZXMDVAK-AYBZRNKSSA-N 2 1 324.472 3.145 10 0 DGAEMP C[C@@H]1C[N@@H+](Cc2ccc(Br)c(F)c2)C[C@H]1CC[NH3+] ZINC000723887093 655728858 /nfs/dbraw/zinc/72/88/58/655728858.db2.gz QJCLBTSVDNOLRC-ZYHUDNBSSA-N 2 1 315.230 3.005 10 0 DGAEMP [NH2+]=C(NC[C@H]1CCCC[N@H+]1Cc1ccccc1)NC1CCCC1 ZINC000066243803 655939327 /nfs/dbraw/zinc/93/93/27/655939327.db2.gz DDBXZSOSQYADAO-GOSISDBHSA-N 2 1 314.477 3.098 10 0 DGAEMP CCOC(C)(C)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716623074 661224911 /nfs/dbraw/zinc/22/49/11/661224911.db2.gz XKKXVSOUAXARSA-FHWLQOOXSA-N 2 1 316.489 3.444 10 0 DGAEMP CSCCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716623598 661224921 /nfs/dbraw/zinc/22/49/21/661224921.db2.gz BKOXGWFMNZWENL-KSZLIROESA-N 2 1 304.503 3.382 10 0 DGAEMP CCC(O)(CC)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716622141 661225044 /nfs/dbraw/zinc/22/50/44/661225044.db2.gz TVLDFPOLFSXQMH-FHWLQOOXSA-N 2 1 316.489 3.180 10 0 DGAEMP COCC[C@H](C)[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716678664 661226455 /nfs/dbraw/zinc/22/64/55/661226455.db2.gz ABSWBJUAIHVRLM-KANFNMMFSA-N 2 1 302.462 3.054 10 0 DGAEMP CC(C)(C)[C@@H](O)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716712042 661227566 /nfs/dbraw/zinc/22/75/66/661227566.db2.gz KJEABTJIXPIWLS-RDGPPVDQSA-N 2 1 316.489 3.036 10 0 DGAEMP CC1(C)OCC[C@H]1[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716730479 661228015 /nfs/dbraw/zinc/22/80/15/661228015.db2.gz WYZPWWIRBSIEAQ-ZSYWTGECSA-N 2 1 314.473 3.197 10 0 DGAEMP C[C@]1(C[NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)CCCO1 ZINC000716731338 661228032 /nfs/dbraw/zinc/22/80/32/661228032.db2.gz CVERRNVYMWJFNT-LWYYNNOASA-N 2 1 314.473 3.198 10 0 DGAEMP C[C@@H]([NH2+]Cc1cc(Br)ccc1Cl)[C@@H]1CC[NH2+]C1 ZINC000722376626 656614917 /nfs/dbraw/zinc/61/49/17/656614917.db2.gz JAQRMWDZMDUDCN-NXEZZACHSA-N 2 1 317.658 3.190 10 0 DGAEMP Cc1ccc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)c(-c2ccnn2C)c1 ZINC000262025034 657291900 /nfs/dbraw/zinc/29/19/00/657291900.db2.gz WNOSXHVJFMJDIQ-JWTNVVGKSA-N 2 1 324.472 3.110 10 0 DGAEMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](CC2(O)CCCCC2)C1 ZINC000246283828 662252715 /nfs/dbraw/zinc/25/27/15/662252715.db2.gz CKSJZVRHJCNTGJ-MSOLQXFVSA-N 2 1 308.510 3.268 10 0 DGAEMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](CC2(O)CCCCC2)C1 ZINC000246283828 662252717 /nfs/dbraw/zinc/25/27/17/662252717.db2.gz CKSJZVRHJCNTGJ-MSOLQXFVSA-N 2 1 308.510 3.268 10 0 DGAEMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](CC2(O)CCCCC2)C1 ZINC000246283828 662252719 /nfs/dbraw/zinc/25/27/19/662252719.db2.gz CKSJZVRHJCNTGJ-MSOLQXFVSA-N 2 1 308.510 3.268 10 0 DGAEMP CO[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000398121547 685235667 /nfs/dbraw/zinc/23/56/67/685235667.db2.gz HEXHHXKXHQDAOA-DSLXNQLJSA-N 2 1 302.462 3.054 10 0 DGAEMP CO[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000398121547 685235672 /nfs/dbraw/zinc/23/56/72/685235672.db2.gz HEXHHXKXHQDAOA-DSLXNQLJSA-N 2 1 302.462 3.054 10 0 DGAEMP CC(C)OCCCC[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000382421093 1197704961 /nfs/dbraw/zinc/70/49/61/1197704961.db2.gz WWZPIVTUCKKLHH-UHFFFAOYSA-N 2 1 304.478 3.446 10 0 DGAEMP Nc1cccc(C[N@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000310284852 1199713261 /nfs/dbraw/zinc/71/32/61/1199713261.db2.gz QGWPPZFLYYLPIP-UXHICEINSA-N 2 1 321.468 3.223 10 0 DGAEMP Nc1cccc(C[NH+]2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000310284852 1199713263 /nfs/dbraw/zinc/71/32/63/1199713263.db2.gz QGWPPZFLYYLPIP-UXHICEINSA-N 2 1 321.468 3.223 10 0 DGAEMP Nc1cccc(C[NH+]2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000310284852 1199713264 /nfs/dbraw/zinc/71/32/64/1199713264.db2.gz QGWPPZFLYYLPIP-UXHICEINSA-N 2 1 321.468 3.223 10 0 DGAEMP C=CCOc1ccc(C[NH2+]C[C@H]2CC[N@H+](CC)C2)cc1Cl ZINC000236904697 1202635238 /nfs/dbraw/zinc/63/52/38/1202635238.db2.gz UDMRAZGWTPBXME-OAHLLOKOSA-N 2 1 308.853 3.336 10 0 DGAEMP CO[C@@H]1CCC[C@@H]1[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309788826 231104563 /nfs/dbraw/zinc/10/45/63/231104563.db2.gz OCLZTIHOVBZSII-XGXHKWSGSA-N 2 1 302.462 3.054 10 0 DGAEMP Cc1nc2ccccc2nc1C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000172578468 198117986 /nfs/dbraw/zinc/11/79/86/198117986.db2.gz UKLKKNICVSZPBL-QGZVFWFLSA-N 2 1 324.472 3.389 10 0 DGAEMP Cc1nc2ccccc2nc1C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000172578468 198117988 /nfs/dbraw/zinc/11/79/88/198117988.db2.gz UKLKKNICVSZPBL-QGZVFWFLSA-N 2 1 324.472 3.389 10 0 DGAEMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]C1CCN(c2cccs2)CC1 ZINC000168430000 432068671 /nfs/dbraw/zinc/06/86/71/432068671.db2.gz YIXIATBXQXHEDF-YCPHGPKFSA-N 2 1 307.507 3.035 10 0 DGAEMP CCOCc1cc(C[N@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)ccc1OC ZINC000179902283 432073361 /nfs/dbraw/zinc/07/33/61/432073361.db2.gz RUOKXHCSCJUYOA-CRAIPNDOSA-N 2 1 320.477 3.146 10 0 DGAEMP CCOCc1cc(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)ccc1OC ZINC000179902283 432073363 /nfs/dbraw/zinc/07/33/63/432073363.db2.gz RUOKXHCSCJUYOA-CRAIPNDOSA-N 2 1 320.477 3.146 10 0 DGAEMP CCOCc1cc(C[NH+](C)[C@@H]2CC[N@H+](C)[C@H](C)C2)ccc1OC ZINC000179902283 432073366 /nfs/dbraw/zinc/07/33/66/432073366.db2.gz RUOKXHCSCJUYOA-CRAIPNDOSA-N 2 1 320.477 3.146 10 0 DGAEMP CCOCc1cc(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)ccc1OC ZINC000179902283 432073367 /nfs/dbraw/zinc/07/33/67/432073367.db2.gz RUOKXHCSCJUYOA-CRAIPNDOSA-N 2 1 320.477 3.146 10 0 DGAEMP CCCc1ccc(C[N@@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)cc1 ZINC000170941591 432088730 /nfs/dbraw/zinc/08/87/30/432088730.db2.gz GSWLUNFUIVUMIS-QGZVFWFLSA-N 2 1 318.505 3.164 10 0 DGAEMP c1[nH]nc2cc(C[N@H+]3CC[C@H]4[C@@H](CCC[NH+]4C4CC4)C3)ccc12 ZINC000246099969 432094651 /nfs/dbraw/zinc/09/46/51/432094651.db2.gz JDZSUNSPLGPOBE-LPHOPBHVSA-N 2 1 310.445 3.012 10 0 DGAEMP c1[nH]nc2cc(C[NH+]3CC[C@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)ccc12 ZINC000246099969 432094655 /nfs/dbraw/zinc/09/46/55/432094655.db2.gz JDZSUNSPLGPOBE-LPHOPBHVSA-N 2 1 310.445 3.012 10 0 DGAEMP c1[nH]nc2cc(C[NH+]3CC[C@H]4[C@@H](CCC[N@H+]4C4CC4)C3)ccc12 ZINC000246099969 432094659 /nfs/dbraw/zinc/09/46/59/432094659.db2.gz JDZSUNSPLGPOBE-LPHOPBHVSA-N 2 1 310.445 3.012 10 0 DGAEMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)CC[C@H](C)c2ccccc2)CC1 ZINC000193903301 201142114 /nfs/dbraw/zinc/14/21/14/201142114.db2.gz YOAPPGNAWGNGFP-ZWKOTPCHSA-N 2 1 318.505 3.205 10 0 DGAEMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCC[C@H]1C[C@H](O)c1ccccc1 ZINC000268587482 432108150 /nfs/dbraw/zinc/10/81/50/432108150.db2.gz UXOURYIPDJANRL-AABGKKOBSA-N 2 1 316.489 3.449 10 0 DGAEMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CCC[C@H]1C[C@H](O)c1ccccc1 ZINC000268587482 432108152 /nfs/dbraw/zinc/10/81/52/432108152.db2.gz UXOURYIPDJANRL-AABGKKOBSA-N 2 1 316.489 3.449 10 0 DGAEMP C[NH+]1CCCC[C@@H]1CC[N@H+]1CCC[C@H]1C[C@H](O)c1ccccc1 ZINC000268587482 432108155 /nfs/dbraw/zinc/10/81/55/432108155.db2.gz UXOURYIPDJANRL-AABGKKOBSA-N 2 1 316.489 3.449 10 0 DGAEMP COc1c(C)cc(C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc1C ZINC000093597368 193272303 /nfs/dbraw/zinc/27/23/03/193272303.db2.gz MUIDPDYVVMDJRS-QGZVFWFLSA-N 2 1 302.462 3.230 10 0 DGAEMP COc1c(C)cc(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc1C ZINC000093597368 193272304 /nfs/dbraw/zinc/27/23/04/193272304.db2.gz MUIDPDYVVMDJRS-QGZVFWFLSA-N 2 1 302.462 3.230 10 0 DGAEMP CC(C)c1[nH+]ccn1[C@H](C[NH3+])c1cccc(Br)c1 ZINC000043022133 183329494 /nfs/dbraw/zinc/32/94/94/183329494.db2.gz BIXHXYQBSILLDL-CYBMUJFWSA-N 2 1 308.223 3.317 10 0 DGAEMP CC(C)[N@H+](CCC(N)=[NH2+])Cc1cc(Br)cs1 ZINC000043687520 183381125 /nfs/dbraw/zinc/38/11/25/183381125.db2.gz LGUALUVXVAPVOK-UHFFFAOYSA-N 2 1 304.257 3.047 10 0 DGAEMP CC(C)[N@@H+](CCC(N)=[NH2+])Cc1cc(Br)cs1 ZINC000043687520 183381127 /nfs/dbraw/zinc/38/11/27/183381127.db2.gz LGUALUVXVAPVOK-UHFFFAOYSA-N 2 1 304.257 3.047 10 0 DGAEMP CC1=CCC[C@H](C)[C@@H]1C[N@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000249056805 285050514 /nfs/dbraw/zinc/05/05/14/285050514.db2.gz GZLYGCRGVSCNCX-JENIJYKNSA-N 2 1 308.510 3.003 10 0 DGAEMP CC[N@H+]1CC[C@H]([NH+](C)C/C=C\c2ccccc2OC)[C@H](C)C1 ZINC000255474182 285157341 /nfs/dbraw/zinc/15/73/41/285157341.db2.gz PUVPSUOETFPKSJ-MHLVSLHDSA-N 2 1 302.462 3.371 10 0 DGAEMP CC[NH+]1CC[C@H]([N@H+](C)C/C=C\c2ccccc2OC)[C@H](C)C1 ZINC000255474182 285157346 /nfs/dbraw/zinc/15/73/46/285157346.db2.gz PUVPSUOETFPKSJ-MHLVSLHDSA-N 2 1 302.462 3.371 10 0 DGAEMP CC[NH+]1CC[C@H]([N@@H+](C)C/C=C\c2ccccc2OC)[C@H](C)C1 ZINC000255474182 285157350 /nfs/dbraw/zinc/15/73/50/285157350.db2.gz PUVPSUOETFPKSJ-MHLVSLHDSA-N 2 1 302.462 3.371 10 0 DGAEMP COC[C@@H]1C[N@@H+](C)C[C@]12CC[NH+](Cc1cccc3ccccc31)C2 ZINC000248138083 257107738 /nfs/dbraw/zinc/10/77/38/257107738.db2.gz PKLRBZHMOFZTRV-FPOVZHCZSA-N 2 1 324.468 3.240 10 0 DGAEMP COC[C@@H]1C[NH+](C)C[C@]12CC[N@H+](Cc1cccc3ccccc31)C2 ZINC000248138083 257107739 /nfs/dbraw/zinc/10/77/39/257107739.db2.gz PKLRBZHMOFZTRV-FPOVZHCZSA-N 2 1 324.468 3.240 10 0 DGAEMP COC[C@@H]1C[NH+](C)C[C@]12CC[N@@H+](Cc1cccc3ccccc31)C2 ZINC000248138083 257107740 /nfs/dbraw/zinc/10/77/40/257107740.db2.gz PKLRBZHMOFZTRV-FPOVZHCZSA-N 2 1 324.468 3.240 10 0 DGAEMP C[C@@H]1C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)[C@@H](C)O1 ZINC000295004614 533641603 /nfs/dbraw/zinc/64/16/03/533641603.db2.gz IKYSXQVSGFJRSI-WQANYPTNSA-N 2 1 314.473 3.338 10 0 DGAEMP Cc1ccc(C(C)(C)C[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)cc1 ZINC000262013204 292080967 /nfs/dbraw/zinc/08/09/67/292080967.db2.gz VTBDDYUVWYEMDA-QRVBRYPASA-N 2 1 316.489 3.019 10 0 DGAEMP Cc1ccc(-c2noc(C[N@@H+]3CCC[C@H](n4ccnc4)C3)n2)cc1 ZINC000591082507 400484789 /nfs/dbraw/zinc/48/47/89/400484789.db2.gz HIIILHNRUSCVBM-INIZCTEOSA-N 2 1 323.400 3.079 10 0 DGAEMP Cc1ccc(-c2noc(C[N@H+]3CCC[C@H](n4ccnc4)C3)n2)cc1 ZINC000591082507 400484793 /nfs/dbraw/zinc/48/47/93/400484793.db2.gz HIIILHNRUSCVBM-INIZCTEOSA-N 2 1 323.400 3.079 10 0 DGAEMP C[NH2+]CCOCC[N@@H+](C)[C@@H](C)c1ccc(Cl)cc1Cl ZINC000629571870 400979840 /nfs/dbraw/zinc/97/98/40/400979840.db2.gz RSDRPWMDZQNKIK-NSHDSACASA-N 2 1 305.249 3.222 10 0 DGAEMP C[C@H](N[C@H]1CCCCC[N@@H+](Cc2ccccc2)C1)[C@H]1CC[NH2+]C1 ZINC000635019566 401405282 /nfs/dbraw/zinc/40/52/82/401405282.db2.gz IACUKVVVLVAFIN-IHPCNDPISA-N 2 1 315.505 3.019 10 0 DGAEMP C[C@H]([NH2+][C@H]1CCCCCN(Cc2ccccc2)C1)[C@H]1CC[NH2+]C1 ZINC000635019566 401405287 /nfs/dbraw/zinc/40/52/87/401405287.db2.gz IACUKVVVLVAFIN-IHPCNDPISA-N 2 1 315.505 3.019 10 0 DGAEMP CC(=O)c1c(C)cc(C)c(C[N@@H+]2CCC[C@H]3C[NH2+]CC[C@@H]32)c1C ZINC000631887007 401564127 /nfs/dbraw/zinc/56/41/27/401564127.db2.gz NTMCRDOUCRKNLP-HKUYNNGSSA-N 2 1 314.473 3.388 10 0 DGAEMP CC(=O)c1c(C)cc(C)c(C[N@H+]2CCC[C@H]3C[NH2+]CC[C@@H]32)c1C ZINC000631887007 401564130 /nfs/dbraw/zinc/56/41/30/401564130.db2.gz NTMCRDOUCRKNLP-HKUYNNGSSA-N 2 1 314.473 3.388 10 0 DGAEMP C[C@H]([NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCCCO1 ZINC000623975054 401607674 /nfs/dbraw/zinc/60/76/74/401607674.db2.gz XYQIBPFAXGLJMP-WDSOQIARSA-N 2 1 302.462 3.056 10 0 DGAEMP C[C@@H](CO)CCC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000365810496 287174579 /nfs/dbraw/zinc/17/45/79/287174579.db2.gz AXRHHXNSXPRJFQ-RSPOEFSDSA-N 2 1 316.489 3.180 10 0 DGAEMP CCCC[N@@H+](C)CC1CC[NH+](C[C@@H](O)CC2CCCC2)CC1 ZINC000190405810 432151466 /nfs/dbraw/zinc/15/14/66/432151466.db2.gz XEDSDPAJQVYEOX-IBGZPJMESA-N 2 1 310.526 3.372 10 0 DGAEMP Cc1cccc(NC[C@@H]2CC[N@H+](CCOc3ccccc3)C2)[nH+]1 ZINC000171652698 432156522 /nfs/dbraw/zinc/15/65/22/432156522.db2.gz JIMFKVLJHQDJNA-KRWDZBQOSA-N 2 1 311.429 3.203 10 0 DGAEMP Cc1cccc(NC[C@@H]2CC[N@@H+](CCOc3ccccc3)C2)[nH+]1 ZINC000171652698 432156524 /nfs/dbraw/zinc/15/65/24/432156524.db2.gz JIMFKVLJHQDJNA-KRWDZBQOSA-N 2 1 311.429 3.203 10 0 DGAEMP C[N@@H+](Cc1cccnc1)C[C@@H]1CC[NH+](CC2CCCCC2)C1 ZINC000190489721 432162728 /nfs/dbraw/zinc/16/27/28/432162728.db2.gz ITIUOEIEZNBTDG-IBGZPJMESA-N 2 1 301.478 3.416 10 0 DGAEMP C[N@H+](Cc1cccnc1)C[C@@H]1CC[NH+](CC2CCCCC2)C1 ZINC000190489721 432162733 /nfs/dbraw/zinc/16/27/33/432162733.db2.gz ITIUOEIEZNBTDG-IBGZPJMESA-N 2 1 301.478 3.416 10 0 DGAEMP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@H+](CC2CCCCC2)C1 ZINC000190489721 432162737 /nfs/dbraw/zinc/16/27/37/432162737.db2.gz ITIUOEIEZNBTDG-IBGZPJMESA-N 2 1 301.478 3.416 10 0 DGAEMP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@@H+](CC2CCCCC2)C1 ZINC000190489721 432162741 /nfs/dbraw/zinc/16/27/41/432162741.db2.gz ITIUOEIEZNBTDG-IBGZPJMESA-N 2 1 301.478 3.416 10 0 DGAEMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+][C@H]1CCN(c2cccc(Cl)c2)C1 ZINC000246876957 432176745 /nfs/dbraw/zinc/17/67/45/432176745.db2.gz DESHCZBFOIABPK-DEICHXMPSA-N 2 1 321.896 3.237 10 0 DGAEMP CC[N@H+]1CC[C@@H]([NH2+]CCCCOCc2ccccc2)[C@@H](C)C1 ZINC000246846239 432172805 /nfs/dbraw/zinc/17/28/05/432172805.db2.gz BEQCRDLVJLNZMB-PKOBYXMFSA-N 2 1 304.478 3.303 10 0 DGAEMP CCOc1ccccc1OCC[N@@H+](C)[C@@H]1CC[NH+](CC)C[C@@H]1C ZINC000246996463 432189205 /nfs/dbraw/zinc/18/92/05/432189205.db2.gz KSKQTFXQIXPDMI-DLBZAZTESA-N 2 1 320.477 3.126 10 0 DGAEMP CCOc1ccccc1OCC[NH+](C)[C@@H]1CC[N@H+](CC)C[C@@H]1C ZINC000246996463 432189208 /nfs/dbraw/zinc/18/92/08/432189208.db2.gz KSKQTFXQIXPDMI-DLBZAZTESA-N 2 1 320.477 3.126 10 0 DGAEMP CCOc1ccccc1OCC[NH+](C)[C@@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000246996463 432189211 /nfs/dbraw/zinc/18/92/11/432189211.db2.gz KSKQTFXQIXPDMI-DLBZAZTESA-N 2 1 320.477 3.126 10 0 DGAEMP Cc1ccc(OCCC[NH+](C)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1C ZINC000247146283 432204850 /nfs/dbraw/zinc/20/48/50/432204850.db2.gz ZZFBPCWXSZNPEI-ROUUACIJSA-N 2 1 304.478 3.487 10 0 DGAEMP Cc1ccc(OCCC[NH+](C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1C ZINC000247146283 432204853 /nfs/dbraw/zinc/20/48/53/432204853.db2.gz ZZFBPCWXSZNPEI-ROUUACIJSA-N 2 1 304.478 3.487 10 0 DGAEMP Cc1ccc(OCCC[N@@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)cc1C ZINC000247146283 432204859 /nfs/dbraw/zinc/20/48/59/432204859.db2.gz ZZFBPCWXSZNPEI-ROUUACIJSA-N 2 1 304.478 3.487 10 0 DGAEMP Cc1ccc(OCCC[N@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)cc1C ZINC000247146283 432204864 /nfs/dbraw/zinc/20/48/64/432204864.db2.gz ZZFBPCWXSZNPEI-ROUUACIJSA-N 2 1 304.478 3.487 10 0 DGAEMP COc1c(C)cc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)cc1C ZINC000247277542 432218809 /nfs/dbraw/zinc/21/88/09/432218809.db2.gz YKEQOSKHQQRXRW-ROUUACIJSA-N 2 1 302.462 3.228 10 0 DGAEMP COc1c(C)cc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)cc1C ZINC000247277542 432218811 /nfs/dbraw/zinc/21/88/11/432218811.db2.gz YKEQOSKHQQRXRW-ROUUACIJSA-N 2 1 302.462 3.228 10 0 DGAEMP COc1c(C)cc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)cc1C ZINC000247277542 432218813 /nfs/dbraw/zinc/21/88/13/432218813.db2.gz YKEQOSKHQQRXRW-ROUUACIJSA-N 2 1 302.462 3.228 10 0 DGAEMP C[C@H]([NH2+]C[C@H](O)C1CCCCC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000191092112 432219461 /nfs/dbraw/zinc/21/94/61/432219461.db2.gz USPIEEITWOSUPT-WDYCEAGBSA-N 2 1 308.510 3.170 10 0 DGAEMP c1[nH]nc2c1[C@H](NCc1cccc(C[NH+]3CCCC3)c1)CCC2 ZINC000367611094 271051098 /nfs/dbraw/zinc/05/10/98/271051098.db2.gz AATCUJUIPIAYFV-GOSISDBHSA-N 2 1 310.445 3.173 10 0 DGAEMP CC(C)(C)c1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)cc1 ZINC000261990220 275535960 /nfs/dbraw/zinc/53/59/60/275535960.db2.gz SPSLXJYTWZRRJX-QRVBRYPASA-N 2 1 316.489 3.231 10 0 DGAEMP COCC(C)(C)C[NH2+]C[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000494100680 277196845 /nfs/dbraw/zinc/19/68/45/277196845.db2.gz YOXQJBYQTSTFSC-ZBFHGGJFSA-N 2 1 310.507 3.393 10 0 DGAEMP COCC(C)(C)C[NH2+]C[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000494100680 277196847 /nfs/dbraw/zinc/19/68/47/277196847.db2.gz YOXQJBYQTSTFSC-ZBFHGGJFSA-N 2 1 310.507 3.393 10 0 DGAEMP CCn1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cn1 ZINC000112099384 431250317 /nfs/dbraw/zinc/25/03/17/431250317.db2.gz PDXKSGPAIYRETH-IHWFROFDSA-N 2 1 324.472 3.188 10 0 DGAEMP CCn1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cn1 ZINC000112099384 431250324 /nfs/dbraw/zinc/25/03/24/431250324.db2.gz PDXKSGPAIYRETH-IHWFROFDSA-N 2 1 324.472 3.188 10 0 DGAEMP CCc1nccn1[C@H]1CCC[N@@H+](Cc2c[nH]nc2C(C)(C)C)C1 ZINC000122920927 431849268 /nfs/dbraw/zinc/84/92/68/431849268.db2.gz UVMUHRWMAMPNGQ-HNNXBMFYSA-N 2 1 315.465 3.303 10 0 DGAEMP C[C@H]1C[C@@H]([N@@H+](C)CCCOCCc2ccccc2)CCN1C ZINC000123643705 431870453 /nfs/dbraw/zinc/87/04/53/431870453.db2.gz SLDANLNCGWOLPM-HKUYNNGSSA-N 2 1 304.478 3.050 10 0 DGAEMP C[C@H]1C[C@@H]([NH+](C)CCCOCCc2ccccc2)CC[N@@H+]1C ZINC000123643705 431870455 /nfs/dbraw/zinc/87/04/55/431870455.db2.gz SLDANLNCGWOLPM-HKUYNNGSSA-N 2 1 304.478 3.050 10 0 DGAEMP C[C@H]1C[C@@H]([NH+](C)CCCOCCc2ccccc2)CC[N@H+]1C ZINC000123643705 431870458 /nfs/dbraw/zinc/87/04/58/431870458.db2.gz SLDANLNCGWOLPM-HKUYNNGSSA-N 2 1 304.478 3.050 10 0 DGAEMP C[C@H]1C[C@@H]([N@H+](C)CCCOCCc2ccccc2)CC[NH+]1C ZINC000123643705 431870459 /nfs/dbraw/zinc/87/04/59/431870459.db2.gz SLDANLNCGWOLPM-HKUYNNGSSA-N 2 1 304.478 3.050 10 0 DGAEMP C[C@H]1C[C@@H]([N@@H+](C)CCCOCCc2ccccc2)CC[NH+]1C ZINC000123643705 431870461 /nfs/dbraw/zinc/87/04/61/431870461.db2.gz SLDANLNCGWOLPM-HKUYNNGSSA-N 2 1 304.478 3.050 10 0 DGAEMP Cc1c(Cl)cccc1NC(=O)CN(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000123940427 431878391 /nfs/dbraw/zinc/87/83/91/431878391.db2.gz WAMCDWQNBQXUBG-TZMCWYRMSA-N 2 1 323.868 3.001 10 0 DGAEMP COc1ccc(OC)c([C@H]2CCC[N@@H+]2CC[C@H]2CCC[NH+]2C)c1 ZINC000124738307 431903239 /nfs/dbraw/zinc/90/32/39/431903239.db2.gz NLKCIBOTSLRUMP-CRAIPNDOSA-N 2 1 318.461 3.325 10 0 DGAEMP COc1ccc(OC)c([C@H]2CCC[N@H+]2CC[C@H]2CCC[NH+]2C)c1 ZINC000124738307 431903241 /nfs/dbraw/zinc/90/32/41/431903241.db2.gz NLKCIBOTSLRUMP-CRAIPNDOSA-N 2 1 318.461 3.325 10 0 DGAEMP COc1ccc(OC)c([C@H]2CCC[NH+]2CC[C@H]2CCC[N@@H+]2C)c1 ZINC000124738307 431903242 /nfs/dbraw/zinc/90/32/42/431903242.db2.gz NLKCIBOTSLRUMP-CRAIPNDOSA-N 2 1 318.461 3.325 10 0 DGAEMP COc1ccc(OC)c([C@H]2CCC[NH+]2CC[C@H]2CCC[N@H+]2C)c1 ZINC000124738307 431903244 /nfs/dbraw/zinc/90/32/44/431903244.db2.gz NLKCIBOTSLRUMP-CRAIPNDOSA-N 2 1 318.461 3.325 10 0 DGAEMP Cc1cccc(N2CCC([NH2+][C@@H](C)c3nccs3)CC2)[nH+]1 ZINC000091726110 431904976 /nfs/dbraw/zinc/90/49/76/431904976.db2.gz RAEFTGNFEYHDCR-ZDUSSCGKSA-N 2 1 302.447 3.166 10 0 DGAEMP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12)[C@H]1CCCO1 ZINC000248416525 432288990 /nfs/dbraw/zinc/28/89/90/432288990.db2.gz PSSAQIHKJIJKSL-ABHMUUKNSA-N 2 1 314.473 3.054 10 0 DGAEMP Clc1cnccc1C[N@H+]1CC[C@@H](CNc2ccccn2)C1 ZINC000173779389 432299753 /nfs/dbraw/zinc/29/97/53/432299753.db2.gz DJQTXOKBBUYKRI-ZDUSSCGKSA-N 2 1 302.809 3.064 10 0 DGAEMP Clc1cnccc1CN1CC[C@@H](CNc2ccccn2)C1 ZINC000173779389 432299758 /nfs/dbraw/zinc/29/97/58/432299758.db2.gz DJQTXOKBBUYKRI-ZDUSSCGKSA-N 2 1 302.809 3.064 10 0 DGAEMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CCC(=O)OC(C)C)cc1 ZINC000183155426 432263500 /nfs/dbraw/zinc/26/35/00/432263500.db2.gz KKSVVDPGRIQHGY-AWEZNQCLSA-N 2 1 315.417 3.173 10 0 DGAEMP CC[C@H](c1ccccc1)[N@@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000174882833 432376347 /nfs/dbraw/zinc/37/63/47/432376347.db2.gz PLOFGTOMDWDXNM-VQTJNVASSA-N 2 1 315.505 3.240 10 0 DGAEMP CC[C@H](c1ccccc1)[N@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000174882833 432376350 /nfs/dbraw/zinc/37/63/50/432376350.db2.gz PLOFGTOMDWDXNM-VQTJNVASSA-N 2 1 315.505 3.240 10 0 DGAEMP C[N@@H+](Cc1ccco1)Cc1ccccc1CNCc1cocn1 ZINC000192318097 432358747 /nfs/dbraw/zinc/35/87/47/432358747.db2.gz GFCPMMQPNWPCFW-UHFFFAOYSA-N 2 1 311.385 3.189 10 0 DGAEMP CN(Cc1ccco1)Cc1ccccc1CNCc1cocn1 ZINC000192318097 432358750 /nfs/dbraw/zinc/35/87/50/432358750.db2.gz GFCPMMQPNWPCFW-UHFFFAOYSA-N 2 1 311.385 3.189 10 0 DGAEMP C[C@H]1C[NH2+]CC[C@H]1[NH2+]Cc1ccccc1OCc1ccccc1 ZINC000261557042 432429691 /nfs/dbraw/zinc/42/96/91/432429691.db2.gz WTHAXDLKRNKTJJ-QFBILLFUSA-N 2 1 310.441 3.353 10 0 DGAEMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@H](C)c2ccnn2C)cc1 ZINC000192944111 432432657 /nfs/dbraw/zinc/43/26/57/432432657.db2.gz RUSXEBZCZGJCKK-ZIAGYGMSSA-N 2 1 309.417 3.326 10 0 DGAEMP C[N@@H+](CCOc1ccc(C(F)(F)F)cc1)C[C@]1(C)CC[NH2+]C1 ZINC000261722157 432444679 /nfs/dbraw/zinc/44/46/79/432444679.db2.gz GBCYGIHPYKEJHT-OAHLLOKOSA-N 2 1 316.367 3.016 10 0 DGAEMP c1sc2ccccc2c1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1 ZINC000261839514 432454447 /nfs/dbraw/zinc/45/44/47/432454447.db2.gz AGMVJKNWNBLLJN-GVDBMIGSSA-N 2 1 316.470 3.148 10 0 DGAEMP c1ccc2c(c1)cccc2C[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1 ZINC000261920692 432462023 /nfs/dbraw/zinc/46/20/23/432462023.db2.gz KGTJTOAGXUWJLU-XUVXKRRUSA-N 2 1 310.441 3.087 10 0 DGAEMP Cc1ccccc1C(C)(C)C[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1 ZINC000261948949 432464140 /nfs/dbraw/zinc/46/41/40/432464140.db2.gz NZTWGUVVMJYKAF-BHIYHBOVSA-N 2 1 316.489 3.019 10 0 DGAEMP CC(C)C[N@@H+](C[C@]1(C)CC[NH2+]C1)[C@H]1CCCc2cccnc21 ZINC000261961774 432465732 /nfs/dbraw/zinc/46/57/32/432465732.db2.gz HJRUEQRFEFXMGV-PKOBYXMFSA-N 2 1 301.478 3.417 10 0 DGAEMP Cn1ccc(C[NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC000272503167 432514384 /nfs/dbraw/zinc/51/43/84/432514384.db2.gz FBJMVMXNXSFMAM-SLFFLAALSA-N 2 1 309.457 3.025 10 0 DGAEMP Cn1ccc(C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)c1 ZINC000272503170 432514766 /nfs/dbraw/zinc/51/47/66/432514766.db2.gz FBJMVMXNXSFMAM-VAMGGRTRSA-N 2 1 309.457 3.025 10 0 DGAEMP C[C@H]([NH3+])C1CC[NH+](Cc2ccc(Br)c(F)c2)CC1 ZINC000161495476 432781963 /nfs/dbraw/zinc/78/19/63/432781963.db2.gz MQDUVAHAGJUGGN-JTQLQIEISA-N 2 1 315.230 3.147 10 0 DGAEMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccccc2OC(F)F)[C@@H](C)C1 ZINC000245430388 432829534 /nfs/dbraw/zinc/82/95/34/432829534.db2.gz NOVWRILMTWODKX-ZFWWWQNUSA-N 2 1 312.404 3.450 10 0 DGAEMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccccc2OC(F)F)[C@@H](C)C1 ZINC000245430388 432829535 /nfs/dbraw/zinc/82/95/35/432829535.db2.gz NOVWRILMTWODKX-ZFWWWQNUSA-N 2 1 312.404 3.450 10 0 DGAEMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccccc2OC(F)F)[C@@H](C)C1 ZINC000245430388 432829538 /nfs/dbraw/zinc/82/95/38/432829538.db2.gz NOVWRILMTWODKX-ZFWWWQNUSA-N 2 1 312.404 3.450 10 0 DGAEMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccccc2OC(F)F)[C@@H](C)C1 ZINC000245430388 432829540 /nfs/dbraw/zinc/82/95/40/432829540.db2.gz NOVWRILMTWODKX-ZFWWWQNUSA-N 2 1 312.404 3.450 10 0 DGAEMP C[C@@H]([NH3+])C1CC[NH+](Cc2ccc(Br)c(F)c2)CC1 ZINC000161495590 432783707 /nfs/dbraw/zinc/78/37/07/432783707.db2.gz MQDUVAHAGJUGGN-SNVBAGLBSA-N 2 1 315.230 3.147 10 0 DGAEMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](Cc2ccccc2OC)C(C)C)C1 ZINC000163305915 432849641 /nfs/dbraw/zinc/84/96/41/432849641.db2.gz KFFAMFTZHVYXPA-WMZOPIPTSA-N 2 1 304.478 3.194 10 0 DGAEMP C[N@@H+]1CCC[C@H](C[NH2+]C[C@H]2CCSC2)[C@@H]1c1cccs1 ZINC000373301650 433148377 /nfs/dbraw/zinc/14/83/77/433148377.db2.gz UYCBYXAKRNDBRR-IIAWOOMASA-N 2 1 310.532 3.474 10 0 DGAEMP C[N@H+]1CCC[C@H](C[NH2+]C[C@H]2CCSC2)[C@@H]1c1cccs1 ZINC000373301650 433148383 /nfs/dbraw/zinc/14/83/83/433148383.db2.gz UYCBYXAKRNDBRR-IIAWOOMASA-N 2 1 310.532 3.474 10 0 DGAEMP C([NH2+]C1CC2(C1)CCCCC2)C1([NH+]2CCCC2)CCOCC1 ZINC000421320011 433473094 /nfs/dbraw/zinc/47/30/94/433473094.db2.gz BMRDMPCMHDNSIM-UHFFFAOYSA-N 2 1 306.494 3.334 10 0 DGAEMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1CCC(CO)CC1 ZINC000361980144 433478800 /nfs/dbraw/zinc/47/88/00/433478800.db2.gz HOOWNPQGTCMDDM-CMTQZCSUSA-N 2 1 316.489 3.038 10 0 DGAEMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1CCC(CO)CC1 ZINC000361980144 433478807 /nfs/dbraw/zinc/47/88/07/433478807.db2.gz HOOWNPQGTCMDDM-CMTQZCSUSA-N 2 1 316.489 3.038 10 0 DGAEMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@]1(C)CCCO1 ZINC000362011624 433491700 /nfs/dbraw/zinc/49/17/00/433491700.db2.gz FRVLVSKOPHCIPD-QRQLOZEOSA-N 2 1 302.462 3.056 10 0 DGAEMP CC(C)C[C@@H]([NH3+])CN1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000414694175 433796771 /nfs/dbraw/zinc/79/67/71/433796771.db2.gz NSNSWBXPKQFFMS-HXUWFJFHSA-N 2 1 317.521 3.204 10 0 DGAEMP C[N@H+](C[C@@H]1CCC[C@@H](O)C1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000309682663 434096335 /nfs/dbraw/zinc/09/63/35/434096335.db2.gz AEUWDASGDYTQJG-UYAOXDASSA-N 2 1 316.489 3.134 10 0 DGAEMP C[N@@H+](C[C@@H]1CCC[C@@H](O)C1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000309682663 434096344 /nfs/dbraw/zinc/09/63/44/434096344.db2.gz AEUWDASGDYTQJG-UYAOXDASSA-N 2 1 316.489 3.134 10 0 DGAEMP CC(C)(C)[C@H](O)C[NH2+]C[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000310020186 434110055 /nfs/dbraw/zinc/11/00/55/434110055.db2.gz RCGMBUOICCCLGN-RTBURBONSA-N 2 1 318.505 3.285 10 0 DGAEMP C[C@@H]1C[C@H]([NH2+][C@H]2COCC2(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000313130041 434123044 /nfs/dbraw/zinc/12/30/44/434123044.db2.gz YAZIGRIPSSCVBH-NXHRZFHOSA-N 2 1 302.462 3.054 10 0 DGAEMP C[C@@H]1C[C@H]([NH2+][C@H]2COCC2(C)C)CC[N@H+]1Cc1ccccc1 ZINC000313130041 434123052 /nfs/dbraw/zinc/12/30/52/434123052.db2.gz YAZIGRIPSSCVBH-NXHRZFHOSA-N 2 1 302.462 3.054 10 0 DGAEMP CC1(C)COC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000313157479 434124229 /nfs/dbraw/zinc/12/42/29/434124229.db2.gz YICIPBJLNVWMSF-XVLXNVKGSA-N 2 1 314.473 3.197 10 0 DGAEMP C[C@@H]([NH2+]CCCc1c[nH+]cn1C)c1ccccc1Br ZINC000314181420 434142612 /nfs/dbraw/zinc/14/26/12/434142612.db2.gz QBAOCANLFHJKOS-GFCCVEGCSA-N 2 1 322.250 3.466 10 0 DGAEMP C[C@H]([NH2+]CCCc1c[nH+]cn1C)c1ccccc1Br ZINC000314925461 434153810 /nfs/dbraw/zinc/15/38/10/434153810.db2.gz QBAOCANLFHJKOS-LBPRGKRZSA-N 2 1 322.250 3.466 10 0 DGAEMP C[C@@H]1C[C@H]([NH2+]CCOC(C)(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000379650407 434256620 /nfs/dbraw/zinc/25/66/20/434256620.db2.gz RRGYABXBJLXTDW-SJLPKXTDSA-N 2 1 304.478 3.444 10 0 DGAEMP C[C@@H]1C[C@H]([NH2+]CCOC(C)(C)C)CC[N@H+]1Cc1ccccc1 ZINC000379650407 434256632 /nfs/dbraw/zinc/25/66/32/434256632.db2.gz RRGYABXBJLXTDW-SJLPKXTDSA-N 2 1 304.478 3.444 10 0 DGAEMP [NH3+]C[C@@H]1CCCC[C@@H]1NC[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000379653435 434260535 /nfs/dbraw/zinc/26/05/35/434260535.db2.gz ZPQVNEMKINFZRY-ZCNNSNEGSA-N 2 1 315.505 3.148 10 0 DGAEMP [NH3+]C[C@@H]1CCCC[C@@H]1NC[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000379653435 434260544 /nfs/dbraw/zinc/26/05/44/434260544.db2.gz ZPQVNEMKINFZRY-ZCNNSNEGSA-N 2 1 315.505 3.148 10 0 DGAEMP [NH3+]C[C@@H]1CCCC[C@H]1NC[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000379653434 434260777 /nfs/dbraw/zinc/26/07/77/434260777.db2.gz ZPQVNEMKINFZRY-XUVXKRRUSA-N 2 1 315.505 3.148 10 0 DGAEMP [NH3+]C[C@@H]1CCCC[C@H]1NC[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000379653434 434260784 /nfs/dbraw/zinc/26/07/84/434260784.db2.gz ZPQVNEMKINFZRY-XUVXKRRUSA-N 2 1 315.505 3.148 10 0 DGAEMP c1ccc2c(c1)SCC[C@H]2[NH2+]CCC[NH2+]Cc1cccnc1 ZINC000423192388 434278547 /nfs/dbraw/zinc/27/85/47/434278547.db2.gz VCBQFBGIXKGYTD-QGZVFWFLSA-N 2 1 313.470 3.388 10 0 DGAEMP c1ccc(OC2CCC2)c(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000358042105 434305321 /nfs/dbraw/zinc/30/53/21/434305321.db2.gz FBLXPYVCSMVUGG-IRXDYDNUSA-N 2 1 300.446 3.334 10 0 DGAEMP c1ccc(OC2CCC2)c(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000358042105 434305329 /nfs/dbraw/zinc/30/53/29/434305329.db2.gz FBLXPYVCSMVUGG-IRXDYDNUSA-N 2 1 300.446 3.334 10 0 DGAEMP c1cncc(C[NH2+]CCC[NH2+][C@@H]2CCC[C@@H](c3cccnc3)C2)c1 ZINC000423190646 434278441 /nfs/dbraw/zinc/27/84/41/434278441.db2.gz RGOAEKHGMBJXAY-UYAOXDASSA-N 2 1 324.472 3.272 10 0 DGAEMP CC[C@H](O)CCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000358169472 434362877 /nfs/dbraw/zinc/36/28/77/434362877.db2.gz PEUOMEZDPMTQGE-NZSAHSFTSA-N 2 1 304.478 3.038 10 0 DGAEMP CC[C@H](O)CCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000358169472 434362885 /nfs/dbraw/zinc/36/28/85/434362885.db2.gz PEUOMEZDPMTQGE-NZSAHSFTSA-N 2 1 304.478 3.038 10 0 DGAEMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1CCCC[C@H]1O ZINC000390856421 434371813 /nfs/dbraw/zinc/37/18/13/434371813.db2.gz KRCFLGWDZWBXAW-GUDVDZBRSA-N 2 1 316.489 3.180 10 0 DGAEMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1CCCC[C@H]1O ZINC000390856421 434371822 /nfs/dbraw/zinc/37/18/22/434371822.db2.gz KRCFLGWDZWBXAW-GUDVDZBRSA-N 2 1 316.489 3.180 10 0 DGAEMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)[C@H](C)O1 ZINC000295389204 434339965 /nfs/dbraw/zinc/33/99/65/434339965.db2.gz LBUHMYHLHNYRTE-CTRAYCPCSA-N 2 1 302.462 3.053 10 0 DGAEMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)[C@H](C)O1 ZINC000295389204 434339974 /nfs/dbraw/zinc/33/99/74/434339974.db2.gz LBUHMYHLHNYRTE-CTRAYCPCSA-N 2 1 302.462 3.053 10 0 DGAEMP C[N@@H+]1CCC[C@H](C[NH2+]CC[C@H]2CCOC2)[C@@H]1c1cccs1 ZINC000438200771 434436392 /nfs/dbraw/zinc/43/63/92/434436392.db2.gz NXFPPXQLKXTOKQ-ZMSDIMECSA-N 2 1 308.491 3.147 10 0 DGAEMP C[N@H+]1CCC[C@H](C[NH2+]CC[C@H]2CCOC2)[C@@H]1c1cccs1 ZINC000438200771 434436402 /nfs/dbraw/zinc/43/64/02/434436402.db2.gz NXFPPXQLKXTOKQ-ZMSDIMECSA-N 2 1 308.491 3.147 10 0 DGAEMP C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000528008346 295165950 /nfs/dbraw/zinc/16/59/50/295165950.db2.gz ZXUBEPQOOKBPMV-OLMMMNRUSA-N 2 1 302.462 3.053 10 0 DGAEMP c1ccc(C[N@H+]2CC[C@H]([NH2+][C@@H]3CCCOC3)[C@@H]3CCC[C@H]32)cc1 ZINC000453104481 434803652 /nfs/dbraw/zinc/80/36/52/434803652.db2.gz UENOBBSDHPLOOV-FUMNGEBKSA-N 2 1 314.473 3.198 10 0 DGAEMP c1ccc(C[N@H+]2CC[C@H]([NH2+][C@H]3CCCOC3)[C@H]3CCC[C@@H]32)cc1 ZINC000453236064 434836512 /nfs/dbraw/zinc/83/65/12/434836512.db2.gz UENOBBSDHPLOOV-YRPNKDGESA-N 2 1 314.473 3.198 10 0 DGAEMP C[C@@H]1C[C@H]([N@@H+](C)C[C@@H](O)C(C)(C)C)CCN1Cc1ccccc1 ZINC000559793250 435138704 /nfs/dbraw/zinc/13/87/04/435138704.db2.gz LTFYDCIFSDQJMO-BHIYHBOVSA-N 2 1 318.505 3.378 10 0 DGAEMP C[C@@H]1C[C@H]([NH+](C)C[C@@H](O)C(C)(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000559793250 435138708 /nfs/dbraw/zinc/13/87/08/435138708.db2.gz LTFYDCIFSDQJMO-BHIYHBOVSA-N 2 1 318.505 3.378 10 0 DGAEMP C[C@@H]1C[C@H]([NH+](C)C[C@@H](O)C(C)(C)C)CC[N@H+]1Cc1ccccc1 ZINC000559793250 435138711 /nfs/dbraw/zinc/13/87/11/435138711.db2.gz LTFYDCIFSDQJMO-BHIYHBOVSA-N 2 1 318.505 3.378 10 0 DGAEMP C[C@@H]1C[C@H]([N@H+](C)C[C@@H](O)C(C)(C)C)CC[NH+]1Cc1ccccc1 ZINC000559793250 435138715 /nfs/dbraw/zinc/13/87/15/435138715.db2.gz LTFYDCIFSDQJMO-BHIYHBOVSA-N 2 1 318.505 3.378 10 0 DGAEMP C[C@@H]1C[C@H]([N@@H+](C)C[C@@H](O)C(C)(C)C)CC[NH+]1Cc1ccccc1 ZINC000559793250 435138718 /nfs/dbraw/zinc/13/87/18/435138718.db2.gz LTFYDCIFSDQJMO-BHIYHBOVSA-N 2 1 318.505 3.378 10 0 DGAEMP CO[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)C1(C)C ZINC000484287610 435541298 /nfs/dbraw/zinc/54/12/98/435541298.db2.gz GUGGBYAXDINZOV-DSLXNQLJSA-N 2 1 316.489 3.300 10 0 DGAEMP CO[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)C1(C)C ZINC000484287610 435541302 /nfs/dbraw/zinc/54/13/02/435541302.db2.gz GUGGBYAXDINZOV-DSLXNQLJSA-N 2 1 316.489 3.300 10 0 DGAEMP COC(=O)C(C)(C)CC[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000549348733 435758826 /nfs/dbraw/zinc/75/88/26/435758826.db2.gz LKWKCWIPHQURMC-QGZVFWFLSA-N 2 1 324.509 3.164 10 0 DGAEMP c1cc2c(cc1C[N@@H+]1CCO[C@H](C3CCCCC3)C1)C[NH2+]CC2 ZINC000571453259 435708064 /nfs/dbraw/zinc/70/80/64/435708064.db2.gz PJFBHLWRHKCEEJ-FQEVSTJZSA-N 2 1 314.473 3.113 10 0 DGAEMP c1cc2c(cc1C[N@H+]1CCO[C@H](C3CCCCC3)C1)C[NH2+]CC2 ZINC000571453259 435708066 /nfs/dbraw/zinc/70/80/66/435708066.db2.gz PJFBHLWRHKCEEJ-FQEVSTJZSA-N 2 1 314.473 3.113 10 0 DGAEMP COc1ccc([C@H](C)C[NH2+]C[C@H](C)Cn2cc[nH+]c2C)cc1 ZINC000182461856 323299621 /nfs/dbraw/zinc/29/96/21/323299621.db2.gz LDIBKYLMGJESAF-LSDHHAIUSA-N 2 1 301.434 3.230 10 0 DGAEMP C[C@H]([NH2+]C[C@@H]1CCC(C)(C)O1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309775659 533880485 /nfs/dbraw/zinc/88/04/85/533880485.db2.gz IZCWOYPKTRFFKG-WDSOQIARSA-N 2 1 316.489 3.444 10 0 DGAEMP CCC[N@H+]1CC[C@@H](C[NH2+]C2CC(OCc3ccccc3)C2)C1 ZINC000493916436 534947247 /nfs/dbraw/zinc/94/72/47/534947247.db2.gz JTWFIYOABQTLQM-VIQWUECVSA-N 2 1 302.462 3.056 10 0 DGAEMP CSc1ccc(OCC[N@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)cc1 ZINC000173528893 546104416 /nfs/dbraw/zinc/10/44/16/546104416.db2.gz OWJARAVQFZIGKT-LSDHHAIUSA-N 2 1 308.491 3.202 10 0 DGAEMP CSc1ccc(OCC[N@@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)cc1 ZINC000173528893 546104420 /nfs/dbraw/zinc/10/44/20/546104420.db2.gz OWJARAVQFZIGKT-LSDHHAIUSA-N 2 1 308.491 3.202 10 0 DGAEMP CSc1ccc(OCC[NH+](C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000173528893 546104423 /nfs/dbraw/zinc/10/44/23/546104423.db2.gz OWJARAVQFZIGKT-LSDHHAIUSA-N 2 1 308.491 3.202 10 0 DGAEMP CSc1ccc(OCC[NH+](C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000173528893 546104428 /nfs/dbraw/zinc/10/44/28/546104428.db2.gz OWJARAVQFZIGKT-LSDHHAIUSA-N 2 1 308.491 3.202 10 0 DGAEMP O[C@H](C[NH2+][C@H](c1cccs1)C1CCCC1)C[NH+]1CCCCC1 ZINC000179405348 546135590 /nfs/dbraw/zinc/13/55/90/546135590.db2.gz HAXSNAPPRPEHEY-AEFFLSMTSA-N 2 1 322.518 3.416 10 0 DGAEMP C[C@H]([NH2+]CC[C@H]1CCCO1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000381808178 546740809 /nfs/dbraw/zinc/74/08/09/546740809.db2.gz XZNVJWXWJDGJLX-YTQUADARSA-N 2 1 302.462 3.056 10 0 DGAEMP c1ccc(C[N@H+]2C[C@H]3C[C@@H](C2)C3[NH2+]CC[C@H]2CCCCO2)cc1 ZINC000671120301 547770933 /nfs/dbraw/zinc/77/09/33/547770933.db2.gz FEVWFQXZDYWTRJ-BMHONFFRSA-N 2 1 314.473 3.056 10 0 DGAEMP c1ccc(C[N@@H+]2C[C@H]3C[C@@H](C2)C3[NH2+]CC[C@H]2CCCCO2)cc1 ZINC000671120301 547770935 /nfs/dbraw/zinc/77/09/35/547770935.db2.gz FEVWFQXZDYWTRJ-BMHONFFRSA-N 2 1 314.473 3.056 10 0 DGAEMP c1nn(C[NH+]2CCC(C[NH+]3CCCC3)CC2)cc1-c1ccccc1 ZINC000151808662 620474935 /nfs/dbraw/zinc/47/49/35/620474935.db2.gz MUVNZHPUELJBFC-UHFFFAOYSA-N 2 1 324.472 3.315 10 0 DGAEMP C[C@]1(CNC(=[NH2+])NC2CCCC2)CCC[N@H+]1Cc1ccccc1 ZINC000153558444 620579499 /nfs/dbraw/zinc/57/94/99/620579499.db2.gz AMOWAJYGIAQUMS-LJQANCHMSA-N 2 1 314.477 3.098 10 0 DGAEMP C[C@]1(C[NH2+]C2CCC(C)(O)CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000703011901 660754921 /nfs/dbraw/zinc/75/49/21/660754921.db2.gz TWPPSOHKSCUMKN-IOJLRTSASA-N 2 1 316.489 3.182 10 0 DGAEMP COC[C@@H]([NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2)C1CC1 ZINC000716681425 661227326 /nfs/dbraw/zinc/22/73/26/661227326.db2.gz WWJLWSLKQWKDTC-OJAHFUOMSA-N 2 1 314.473 3.054 10 0 DGAEMP C[C@@]1(C[NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)CCOC1 ZINC000716682203 661227484 /nfs/dbraw/zinc/22/74/84/661227484.db2.gz NXUNVYDNFNBCAA-MUGJNUQGSA-N 2 1 314.473 3.056 10 0 DGAEMP CC[C@H](O)CCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716681582 661227575 /nfs/dbraw/zinc/22/75/75/661227575.db2.gz MFECBEKTEBGYSH-YRPNKDGESA-N 2 1 316.489 3.180 10 0 DGAEMP C[C@H](CCCCO)[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716681552 661227652 /nfs/dbraw/zinc/22/76/52/661227652.db2.gz LNPURGNLYZXAMO-MDNKFWRPSA-N 2 1 316.489 3.180 10 0 DGAEMP C[N@@H+](CCC[NH2+][C@@H]1CC[C@@H]2COCC[C@H]2C1)Cc1ccccc1 ZINC000723643277 656498253 /nfs/dbraw/zinc/49/82/53/656498253.db2.gz FWWOIKUOOMUQMK-XUVXKRRUSA-N 2 1 316.489 3.303 10 0 DGAEMP CC[C@@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)[C@H]1CCCOC1 ZINC000723950819 656504516 /nfs/dbraw/zinc/50/45/16/656504516.db2.gz KGMAGNUQWCYFDW-AZUAARDMSA-N 2 1 316.489 3.446 10 0 DGAEMP c1[nH]nc2c1[C@@H]([NH2+]C1CC[NH+](C3CCCCC3)CC1)CCC2 ZINC000353524191 659995608 /nfs/dbraw/zinc/99/56/08/659995608.db2.gz ZSDROVYMIZVXRB-KRWDZBQOSA-N 2 1 302.466 3.174 10 0 DGAEMP C[C@H]1C[C@H]([NH2+]CCc2ccns2)CC[N@H+]1Cc1ccccc1 ZINC000719847137 662298123 /nfs/dbraw/zinc/29/81/23/662298123.db2.gz AWVFGFULLHRREQ-DOTOQJQBSA-N 2 1 315.486 3.328 10 0 DGAEMP Cc1cc(C)cc([C@@H](O)C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c1 ZINC000247482166 662322207 /nfs/dbraw/zinc/32/22/07/662322207.db2.gz KEOFDYLLZCBISA-ICSRJNTNSA-N 2 1 316.489 3.145 10 0 DGAEMP Cc1cc(C)cc([C@@H](O)C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c1 ZINC000247482166 662322208 /nfs/dbraw/zinc/32/22/08/662322208.db2.gz KEOFDYLLZCBISA-ICSRJNTNSA-N 2 1 316.489 3.145 10 0 DGAEMP CO[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000398121551 685234826 /nfs/dbraw/zinc/23/48/26/685234826.db2.gz HEXHHXKXHQDAOA-XGXHKWSGSA-N 2 1 302.462 3.054 10 0 DGAEMP CO[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000398121551 685234829 /nfs/dbraw/zinc/23/48/29/685234829.db2.gz HEXHHXKXHQDAOA-XGXHKWSGSA-N 2 1 302.462 3.054 10 0 DGAEMP Fc1ccc(CC[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000076446365 1196480871 /nfs/dbraw/zinc/48/08/71/1196480871.db2.gz QGPMSDYQMGGXKE-IBGZPJMESA-N 2 1 312.432 3.480 10 0 DGAEMP Cc1cccc2c(N(C)CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc[nH+]c12 ZINC000302854770 230850274 /nfs/dbraw/zinc/85/02/74/230850274.db2.gz KPVGCTBFCCJYKG-IYBDPMFKSA-N 2 1 313.445 3.089 10 0 DGAEMP CO[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000309905303 231106999 /nfs/dbraw/zinc/10/69/99/231106999.db2.gz JWULKHHLDRANEC-UJMXGEILSA-N 2 1 314.473 3.054 10 0 DGAEMP c1ccc(OC2CCC2)c(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000090027297 185278833 /nfs/dbraw/zinc/27/88/33/185278833.db2.gz FBLXPYVCSMVUGG-IAGOWNOFSA-N 2 1 300.446 3.334 10 0 DGAEMP c1ccc(OC2CCC2)c(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000090027297 185278834 /nfs/dbraw/zinc/27/88/34/185278834.db2.gz FBLXPYVCSMVUGG-IAGOWNOFSA-N 2 1 300.446 3.334 10 0 DGAEMP C[C@H]([NH2+][C@@H]1CCCSC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272657369 210061319 /nfs/dbraw/zinc/06/13/19/210061319.db2.gz LWZOOYYEMITWNK-RYQLBKOJSA-N 2 1 304.503 3.382 10 0 DGAEMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)[C@@H]1CCCO1 ZINC000180107442 199117308 /nfs/dbraw/zinc/11/73/08/199117308.db2.gz RKGJOLJBQHOZHY-VNVJMFPYSA-N 2 1 314.473 3.339 10 0 DGAEMP c1ccc(CSCC[N@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)cc1 ZINC000415038134 237027518 /nfs/dbraw/zinc/02/75/18/237027518.db2.gz HKUYGLSANFNDEH-QZTJIDSGSA-N 2 1 304.503 3.384 10 0 DGAEMP C[C@H]1C[C@H]([N@@H+](C)Cc2cn(C)nc2-c2cccs2)CCN1C ZINC000180424314 432086521 /nfs/dbraw/zinc/08/65/21/432086521.db2.gz BTQRGOGREOCWFY-DZGCQCFKSA-N 2 1 318.490 3.063 10 0 DGAEMP C[C@H]1C[C@H](N(C)Cc2cn(C)nc2-c2cccs2)CC[N@@H+]1C ZINC000180424314 432086522 /nfs/dbraw/zinc/08/65/22/432086522.db2.gz BTQRGOGREOCWFY-DZGCQCFKSA-N 2 1 318.490 3.063 10 0 DGAEMP C[C@H]1C[C@H](N(C)Cc2cn(C)nc2-c2cccs2)CC[N@H+]1C ZINC000180424314 432086523 /nfs/dbraw/zinc/08/65/23/432086523.db2.gz BTQRGOGREOCWFY-DZGCQCFKSA-N 2 1 318.490 3.063 10 0 DGAEMP Cc1ccc(CC[NH+]2CC[C@@H](C[N@@H+](C)Cc3cccnc3)C2)cc1 ZINC000195279215 201372659 /nfs/dbraw/zinc/37/26/59/201372659.db2.gz DKBMEPIPDSHVBK-NRFANRHFSA-N 2 1 323.484 3.386 10 0 DGAEMP Cc1ccc(CC[NH+]2CC[C@@H](C[N@H+](C)Cc3cccnc3)C2)cc1 ZINC000195279215 201372663 /nfs/dbraw/zinc/37/26/63/201372663.db2.gz DKBMEPIPDSHVBK-NRFANRHFSA-N 2 1 323.484 3.386 10 0 DGAEMP Cc1ccc(CC[N@H+]2CC[C@@H](C[NH+](C)Cc3cccnc3)C2)cc1 ZINC000195279215 201372665 /nfs/dbraw/zinc/37/26/65/201372665.db2.gz DKBMEPIPDSHVBK-NRFANRHFSA-N 2 1 323.484 3.386 10 0 DGAEMP Cc1ccc(CC[N@@H+]2CC[C@@H](C[NH+](C)Cc3cccnc3)C2)cc1 ZINC000195279215 201372669 /nfs/dbraw/zinc/37/26/69/201372669.db2.gz DKBMEPIPDSHVBK-NRFANRHFSA-N 2 1 323.484 3.386 10 0 DGAEMP Cc1cc(C[N@@H+]2CCCC[C@H]2CC[NH3+])ccc1Br ZINC000091472121 193061738 /nfs/dbraw/zinc/06/17/38/193061738.db2.gz LWFVLDBCPCCVEI-AWEZNQCLSA-N 2 1 311.267 3.461 10 0 DGAEMP Cc1cc(C[N@H+]2CCCC[C@H]2CC[NH3+])ccc1Br ZINC000091472121 193061740 /nfs/dbraw/zinc/06/17/40/193061740.db2.gz LWFVLDBCPCCVEI-AWEZNQCLSA-N 2 1 311.267 3.461 10 0 DGAEMP CC[N@H+]1CC[C@H]([NH+](C)Cc2c[nH]nc2-c2ccccc2)[C@H](C)C1 ZINC000093638896 193278764 /nfs/dbraw/zinc/27/87/64/193278764.db2.gz HGGFSEVUQHBQMP-QAPCUYQASA-N 2 1 312.461 3.239 10 0 DGAEMP CC[NH+]1CC[C@H]([N@H+](C)Cc2c[nH]nc2-c2ccccc2)[C@H](C)C1 ZINC000093638896 193278765 /nfs/dbraw/zinc/27/87/65/193278765.db2.gz HGGFSEVUQHBQMP-QAPCUYQASA-N 2 1 312.461 3.239 10 0 DGAEMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2c[nH]nc2-c2ccccc2)[C@H](C)C1 ZINC000093638896 193278766 /nfs/dbraw/zinc/27/87/66/193278766.db2.gz HGGFSEVUQHBQMP-QAPCUYQASA-N 2 1 312.461 3.239 10 0 DGAEMP COc1ccc2oc(C[N@H+](C)[C@H]3CC[NH+](C)[C@H](C)C3)cc2c1 ZINC000093645097 193281214 /nfs/dbraw/zinc/28/12/14/193281214.db2.gz QJFWBYFTEOOWHS-HIFRSBDPSA-N 2 1 302.418 3.356 10 0 DGAEMP COc1ccc2oc(C[N@@H+](C)[C@H]3CC[NH+](C)[C@H](C)C3)cc2c1 ZINC000093645097 193281216 /nfs/dbraw/zinc/28/12/16/193281216.db2.gz QJFWBYFTEOOWHS-HIFRSBDPSA-N 2 1 302.418 3.356 10 0 DGAEMP COc1ccc2oc(C[NH+](C)[C@H]3CC[N@H+](C)[C@H](C)C3)cc2c1 ZINC000093645097 193281217 /nfs/dbraw/zinc/28/12/17/193281217.db2.gz QJFWBYFTEOOWHS-HIFRSBDPSA-N 2 1 302.418 3.356 10 0 DGAEMP COc1ccc2oc(C[NH+](C)[C@H]3CC[N@@H+](C)[C@H](C)C3)cc2c1 ZINC000093645097 193281219 /nfs/dbraw/zinc/28/12/19/193281219.db2.gz QJFWBYFTEOOWHS-HIFRSBDPSA-N 2 1 302.418 3.356 10 0 DGAEMP CC[N@H+]1CC[C@@H]([NH+](C)CCOc2ccc(SC)cc2)[C@@H](C)C1 ZINC000246437013 432131308 /nfs/dbraw/zinc/13/13/08/432131308.db2.gz DDDLBTLOJQXKNO-MAUKXSAKSA-N 2 1 322.518 3.449 10 0 DGAEMP CC[NH+]1CC[C@@H]([N@H+](C)CCOc2ccc(SC)cc2)[C@@H](C)C1 ZINC000246437013 432131311 /nfs/dbraw/zinc/13/13/11/432131311.db2.gz DDDLBTLOJQXKNO-MAUKXSAKSA-N 2 1 322.518 3.449 10 0 DGAEMP CC[NH+]1CC[C@@H]([N@@H+](C)CCOc2ccc(SC)cc2)[C@@H](C)C1 ZINC000246437013 432131315 /nfs/dbraw/zinc/13/13/15/432131315.db2.gz DDDLBTLOJQXKNO-MAUKXSAKSA-N 2 1 322.518 3.449 10 0 DGAEMP CCO[C@H]1C[C@@H]([NH2+]C2CCN(c3ccc(C)c[nH+]3)CC2)C1(C)C ZINC000181804786 432145886 /nfs/dbraw/zinc/14/58/86/432145886.db2.gz LUBPCUYHLAPMTD-SJORKVTESA-N 2 1 317.477 3.152 10 0 DGAEMP COc1ccccc1C[C@@H]1CCC[N@H+]1CC[C@@H]1CCC[NH+]1C ZINC000246578821 432146182 /nfs/dbraw/zinc/14/61/82/432146182.db2.gz CMZMLLFRUTXASK-ROUUACIJSA-N 2 1 302.462 3.186 10 0 DGAEMP COc1ccccc1C[C@@H]1CCC[NH+]1CC[C@@H]1CCC[N@@H+]1C ZINC000246578821 432146185 /nfs/dbraw/zinc/14/61/85/432146185.db2.gz CMZMLLFRUTXASK-ROUUACIJSA-N 2 1 302.462 3.186 10 0 DGAEMP COc1ccccc1C[C@@H]1CCC[NH+]1CC[C@@H]1CCC[N@H+]1C ZINC000246578821 432146188 /nfs/dbraw/zinc/14/61/88/432146188.db2.gz CMZMLLFRUTXASK-ROUUACIJSA-N 2 1 302.462 3.186 10 0 DGAEMP COCC[N@@H+](C)CCC[NH2+][C@H](c1ccc(F)c(F)c1)C(C)C ZINC000181943599 432150280 /nfs/dbraw/zinc/15/02/80/432150280.db2.gz FKPOHXKBDDBCKF-KRWDZBQOSA-N 2 1 314.420 3.220 10 0 DGAEMP CC[C@@]1(C[N@H+](C)Cc2cc(Br)cs2)CC[NH2+]C1 ZINC000062911902 184259507 /nfs/dbraw/zinc/25/95/07/184259507.db2.gz LSWWLRBUYSLRFB-CYBMUJFWSA-N 2 1 317.296 3.332 10 0 DGAEMP CC[C@@]1(C[N@@H+](C)Cc2cc(Br)cs2)CC[NH2+]C1 ZINC000062911902 184259509 /nfs/dbraw/zinc/25/95/09/184259509.db2.gz LSWWLRBUYSLRFB-CYBMUJFWSA-N 2 1 317.296 3.332 10 0 DGAEMP c1cc(C[NH+]2CCOCC2)ccc1C[NH2+][C@@H]1CC[C@@H]1C1CCC1 ZINC000337993541 253206082 /nfs/dbraw/zinc/20/60/82/253206082.db2.gz JHROZSTXAHXZIA-WOJBJXKFSA-N 2 1 314.473 3.187 10 0 DGAEMP CC1CCC(C[NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000343252937 254120942 /nfs/dbraw/zinc/12/09/42/254120942.db2.gz CSKDFZCKCUCXJZ-QLOJAFMTSA-N 2 1 316.489 3.039 10 0 DGAEMP CC1CCC(C[NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000343252937 254120944 /nfs/dbraw/zinc/12/09/44/254120944.db2.gz CSKDFZCKCUCXJZ-QLOJAFMTSA-N 2 1 316.489 3.039 10 0 DGAEMP C[N@H+]1CCCC[C@@H]1CN1CC[NH+](CCCC2CCCC2)CC1 ZINC000120717780 195222739 /nfs/dbraw/zinc/22/27/39/195222739.db2.gz KTBGGNKOWITKFQ-LJQANCHMSA-N 2 1 307.526 3.059 10 0 DGAEMP c1ccc(OC2CC2)c(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000290036101 221393675 /nfs/dbraw/zinc/39/36/75/221393675.db2.gz NSRFKGPYLLCMJB-INIZCTEOSA-N 2 1 300.446 3.146 10 0 DGAEMP c1ccc(OC2CC2)c(C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000290036101 221393676 /nfs/dbraw/zinc/39/36/76/221393676.db2.gz NSRFKGPYLLCMJB-INIZCTEOSA-N 2 1 300.446 3.146 10 0 DGAEMP C[N@@H+](Cc1ccc2ccccc2n1)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000328634623 400183937 /nfs/dbraw/zinc/18/39/37/400183937.db2.gz MUJVNEALEHRYLQ-HNNXBMFYSA-N 2 1 306.413 3.126 10 0 DGAEMP C[N@H+](Cc1ccc2ccccc2n1)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000328634623 400183943 /nfs/dbraw/zinc/18/39/43/400183943.db2.gz MUJVNEALEHRYLQ-HNNXBMFYSA-N 2 1 306.413 3.126 10 0 DGAEMP COc1ccc([C@@H]2[C@H]3C[N@H+](C)C[C@@H]3C[NH+]2Cc2ccccc2)cc1 ZINC000409430798 400301261 /nfs/dbraw/zinc/30/12/61/400301261.db2.gz NGGDENQKQQBPEO-HLAWJBBLSA-N 2 1 322.452 3.430 10 0 DGAEMP COc1ccc([C@@H]2[C@H]3C[N@@H+](C)C[C@@H]3C[NH+]2Cc2ccccc2)cc1 ZINC000409430798 400301266 /nfs/dbraw/zinc/30/12/66/400301266.db2.gz NGGDENQKQQBPEO-HLAWJBBLSA-N 2 1 322.452 3.430 10 0 DGAEMP COc1ccc([C@@H]2[C@H]3C[NH+](C)C[C@@H]3C[N@@H+]2Cc2ccccc2)cc1 ZINC000409430798 400301269 /nfs/dbraw/zinc/30/12/69/400301269.db2.gz NGGDENQKQQBPEO-HLAWJBBLSA-N 2 1 322.452 3.430 10 0 DGAEMP COc1ccc([C@@H]2[C@H]3C[NH+](C)C[C@@H]3C[N@H+]2Cc2ccccc2)cc1 ZINC000409430798 400301276 /nfs/dbraw/zinc/30/12/76/400301276.db2.gz NGGDENQKQQBPEO-HLAWJBBLSA-N 2 1 322.452 3.430 10 0 DGAEMP C[NH+]1CCC(N[C@@H]2CCCCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000631679617 401532755 /nfs/dbraw/zinc/53/27/55/401532755.db2.gz KGMDBNPJHIQELR-HXUWFJFHSA-N 2 1 315.505 3.115 10 0 DGAEMP CC(=O)c1c(C)cc(C)c(C[N@@H+]2CCC[C@@H]3C[NH2+]CC[C@H]32)c1C ZINC000631887008 401563757 /nfs/dbraw/zinc/56/37/57/401563757.db2.gz NTMCRDOUCRKNLP-IEBWSBKVSA-N 2 1 314.473 3.388 10 0 DGAEMP CC(=O)c1c(C)cc(C)c(C[N@H+]2CCC[C@@H]3C[NH2+]CC[C@H]32)c1C ZINC000631887008 401563759 /nfs/dbraw/zinc/56/37/59/401563759.db2.gz NTMCRDOUCRKNLP-IEBWSBKVSA-N 2 1 314.473 3.388 10 0 DGAEMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCCCO1 ZINC000623879224 401592976 /nfs/dbraw/zinc/59/29/76/401592976.db2.gz AZNDYPSQVGKJHZ-IHPCNDPISA-N 2 1 316.489 3.446 10 0 DGAEMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CCCC[NH+](C)C)cc1 ZINC000359532851 286328877 /nfs/dbraw/zinc/32/88/77/286328877.db2.gz WUWCKQXVLGJXTQ-OAHLLOKOSA-N 3 1 300.450 3.173 10 0 DGAEMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+][C@H]1CCN(c2cccc(Cl)c2)C1 ZINC000246876938 432177040 /nfs/dbraw/zinc/17/70/40/432177040.db2.gz DESHCZBFOIABPK-AHEZYBDSSA-N 2 1 321.896 3.237 10 0 DGAEMP CC[N@H+]1CC[C@H](C[NH2+][C@H]2CCCOc3cc(C)c(C)cc32)C1 ZINC000247228569 432213543 /nfs/dbraw/zinc/21/35/43/432213543.db2.gz YDFUQLNVNSFJFO-AEFFLSMTSA-N 2 1 302.462 3.449 10 0 DGAEMP Cc1cccc([C@@H](C)[N@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)c1 ZINC000173682197 228283171 /nfs/dbraw/zinc/28/31/71/228283171.db2.gz HHSDQALZGLMDDE-IAGOWNOFSA-N 2 1 304.478 3.081 10 0 DGAEMP c1cc(C[NH+]2CCOCC2)ccc1C[NH2+][C@H]1CCC12CCCC2 ZINC000353240655 265359496 /nfs/dbraw/zinc/35/94/96/265359496.db2.gz DHAGLJGBYNLFHE-IBGZPJMESA-N 2 1 314.473 3.331 10 0 DGAEMP CN1CCN([C@@H]2CCCC[N@@H+](CC3CCC(C)(C)CC3)C2)CC1 ZINC000182891541 432239753 /nfs/dbraw/zinc/23/97/53/432239753.db2.gz QXIPYXGTCHOJOL-LJQANCHMSA-N 2 1 321.553 3.305 10 0 DGAEMP C[NH+]1CCN([C@@H]2CCCC[N@H+](CC3CCC(C)(C)CC3)C2)CC1 ZINC000182891541 432239756 /nfs/dbraw/zinc/23/97/56/432239756.db2.gz QXIPYXGTCHOJOL-LJQANCHMSA-N 2 1 321.553 3.305 10 0 DGAEMP C[NH+]1CCN([C@@H]2CCCC[N@@H+](CC3CCC(C)(C)CC3)C2)CC1 ZINC000182891541 432239757 /nfs/dbraw/zinc/23/97/57/432239757.db2.gz QXIPYXGTCHOJOL-LJQANCHMSA-N 2 1 321.553 3.305 10 0 DGAEMP C[N@H+]1CCC[C@H]2C[NH+](Cc3ccc(OC(F)F)cc3)CC[C@H]21 ZINC000247940417 432253480 /nfs/dbraw/zinc/25/34/80/432253480.db2.gz CYLBRLUWGOPXQB-GOEBONIOSA-N 2 1 310.388 3.204 10 0 DGAEMP C[NH+]1CCC[C@H]2C[N@H+](Cc3ccc(OC(F)F)cc3)CC[C@H]21 ZINC000247940417 432253485 /nfs/dbraw/zinc/25/34/85/432253485.db2.gz CYLBRLUWGOPXQB-GOEBONIOSA-N 2 1 310.388 3.204 10 0 DGAEMP C[NH+]1CCC[C@H]2C[N@@H+](Cc3ccc(OC(F)F)cc3)CC[C@H]21 ZINC000247940417 432253490 /nfs/dbraw/zinc/25/34/90/432253490.db2.gz CYLBRLUWGOPXQB-GOEBONIOSA-N 2 1 310.388 3.204 10 0 DGAEMP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC[C@H]1c1ccc2c(c1)OCO2 ZINC000247966548 432256387 /nfs/dbraw/zinc/25/63/87/432256387.db2.gz DTZOSDSFEDEBGP-HOTGVXAUSA-N 2 1 302.418 3.037 10 0 DGAEMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC[C@H]1c1ccc2c(c1)OCO2 ZINC000247966548 432256389 /nfs/dbraw/zinc/25/63/89/432256389.db2.gz DTZOSDSFEDEBGP-HOTGVXAUSA-N 2 1 302.418 3.037 10 0 DGAEMP C[NH+]1CCC[C@H]1CC[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCO2 ZINC000247966548 432256392 /nfs/dbraw/zinc/25/63/92/432256392.db2.gz DTZOSDSFEDEBGP-HOTGVXAUSA-N 2 1 302.418 3.037 10 0 DGAEMP C[NH+]1CCC[C@H]1CC[N@H+]1CCC[C@H]1c1ccc2c(c1)OCO2 ZINC000247966548 432256395 /nfs/dbraw/zinc/25/63/95/432256395.db2.gz DTZOSDSFEDEBGP-HOTGVXAUSA-N 2 1 302.418 3.037 10 0 DGAEMP CC[N@H+]1CC[C@H](C[NH2+][C@H]2CC(C)(C)c3cc(OC)ccc32)C1 ZINC000474071570 276221654 /nfs/dbraw/zinc/22/16/54/276221654.db2.gz FZXBCFSDRTUJGA-KDOFPFPSSA-N 2 1 302.462 3.349 10 0 DGAEMP C[C@@]1(C[N@H+]2CCC[C@H](c3nc4c(s3)CCCC4)C2)CC[NH2+]C1 ZINC000262020578 279159473 /nfs/dbraw/zinc/15/94/73/279159473.db2.gz NCCYIGGDZMVJBG-KBXCAEBGSA-N 2 1 319.518 3.201 10 0 DGAEMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(-n3ccnc3)cc2)[C@H](C)C1 ZINC000081096663 431782159 /nfs/dbraw/zinc/78/21/59/431782159.db2.gz YUJHUFMVBWUZGB-APWZRJJASA-N 2 1 312.461 3.034 10 0 DGAEMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(-n3ccnc3)cc2)[C@H](C)C1 ZINC000081096663 431782165 /nfs/dbraw/zinc/78/21/65/431782165.db2.gz YUJHUFMVBWUZGB-APWZRJJASA-N 2 1 312.461 3.034 10 0 DGAEMP CCN1CC[C@H]([N@@H+](C)Cc2ccc(-n3ccnc3)cc2)[C@H](C)C1 ZINC000081096663 431782179 /nfs/dbraw/zinc/78/21/79/431782179.db2.gz YUJHUFMVBWUZGB-APWZRJJASA-N 3 1 312.461 3.034 10 0 DGAEMP C[C@@H]1CCC[C@H](CC[NH+]2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)C1 ZINC000089126118 431860831 /nfs/dbraw/zinc/86/08/31/431860831.db2.gz JJZMNZULLRGTNZ-AQNXPRMDSA-N 2 1 321.553 3.305 10 0 DGAEMP C[C@H]1C[C@H]([NH+](C)CCC(=O)Nc2cccc(Cl)c2)CC[N@@H+]1C ZINC000123734642 431873018 /nfs/dbraw/zinc/87/30/18/431873018.db2.gz OPKGISLLWUMYEM-XJKSGUPXSA-N 2 1 323.868 3.083 10 0 DGAEMP C[C@H]1C[C@H]([NH+](C)CCC(=O)Nc2cccc(Cl)c2)CC[N@H+]1C ZINC000123734642 431873020 /nfs/dbraw/zinc/87/30/20/431873020.db2.gz OPKGISLLWUMYEM-XJKSGUPXSA-N 2 1 323.868 3.083 10 0 DGAEMP C[C@H]1C[C@H]([N@H+](C)CCC(=O)Nc2cccc(Cl)c2)CC[NH+]1C ZINC000123734642 431873022 /nfs/dbraw/zinc/87/30/22/431873022.db2.gz OPKGISLLWUMYEM-XJKSGUPXSA-N 2 1 323.868 3.083 10 0 DGAEMP C[C@H]1C[C@H]([N@@H+](C)CCC(=O)Nc2cccc(Cl)c2)CC[NH+]1C ZINC000123734642 431873024 /nfs/dbraw/zinc/87/30/24/431873024.db2.gz OPKGISLLWUMYEM-XJKSGUPXSA-N 2 1 323.868 3.083 10 0 DGAEMP C[NH+](C)[C@H]1CCN(c2cc[nH+]c3cc(C(F)(F)F)ccc32)C1 ZINC000124596107 431899017 /nfs/dbraw/zinc/89/90/17/431899017.db2.gz KLTVJPJQXVEYBE-LBPRGKRZSA-N 2 1 309.335 3.394 10 0 DGAEMP Cc1cccc(NC[C@H]2CC[N@H+](C[C@@H](O)C3CCCCC3)C2)[nH+]1 ZINC000248970844 432331482 /nfs/dbraw/zinc/33/14/82/432331482.db2.gz SCNJVDASAGVIGV-SJLPKXTDSA-N 2 1 317.477 3.065 10 0 DGAEMP Cc1cccc(NC[C@H]2CC[N@@H+](C[C@@H](O)C3CCCCC3)C2)[nH+]1 ZINC000248970844 432331483 /nfs/dbraw/zinc/33/14/83/432331483.db2.gz SCNJVDASAGVIGV-SJLPKXTDSA-N 2 1 317.477 3.065 10 0 DGAEMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3coc(-c4ccc(F)cc4)n3)C[C@H]21 ZINC000261626164 432435232 /nfs/dbraw/zinc/43/52/32/432435232.db2.gz COWWCXQASFLYRT-KBRIMQKVSA-N 2 1 315.392 3.040 10 0 DGAEMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3coc(-c4ccc(F)cc4)n3)C[C@H]21 ZINC000261626164 432435236 /nfs/dbraw/zinc/43/52/36/432435236.db2.gz COWWCXQASFLYRT-KBRIMQKVSA-N 2 1 315.392 3.040 10 0 DGAEMP c1ccc2c(c1)cccc2C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1 ZINC000261920695 432461674 /nfs/dbraw/zinc/46/16/74/432461674.db2.gz KGTJTOAGXUWJLU-ZCNNSNEGSA-N 2 1 310.441 3.087 10 0 DGAEMP CC(C)C[N@@H+](C[C@@]1(C)CC[NH2+]C1)[C@@H]1CCCc2cccnc21 ZINC000261961771 432465985 /nfs/dbraw/zinc/46/59/85/432465985.db2.gz HJRUEQRFEFXMGV-MJGOQNOKSA-N 2 1 301.478 3.417 10 0 DGAEMP Cc1ccccc1OCC[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000155173041 432542348 /nfs/dbraw/zinc/54/23/48/432542348.db2.gz JYWWWRLANYEWGV-UHFFFAOYSA-N 2 1 313.445 3.062 10 0 DGAEMP Cc1nccn1C[C@H]1CCC[N@H+]1CCSc1ccccc1 ZINC000178296866 432716178 /nfs/dbraw/zinc/71/61/78/432716178.db2.gz WONZCQOEBXKCGG-MRXNPFEDSA-N 2 1 301.459 3.448 10 0 DGAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CCSc1ccccc1 ZINC000178296866 432716179 /nfs/dbraw/zinc/71/61/79/432716179.db2.gz WONZCQOEBXKCGG-MRXNPFEDSA-N 2 1 301.459 3.448 10 0 DGAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1CCSc1ccccc1 ZINC000178296866 432716183 /nfs/dbraw/zinc/71/61/83/432716183.db2.gz WONZCQOEBXKCGG-MRXNPFEDSA-N 2 1 301.459 3.448 10 0 DGAEMP [NH3+][C@@H]1CCC[C@H]2CN(c3cc[nH+]c4cc(Cl)ccc43)C[C@H]21 ZINC000228550834 432719370 /nfs/dbraw/zinc/71/93/70/432719370.db2.gz LQBWOEAAAHEFCO-NILFDRSVSA-N 2 1 301.821 3.452 10 0 DGAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CCOc1ccc(Cl)cc1 ZINC000178321021 432719635 /nfs/dbraw/zinc/71/96/35/432719635.db2.gz AWMVMAWTZKYXMC-INIZCTEOSA-N 2 1 319.836 3.388 10 0 DGAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CCOc1ccc(Cl)cc1 ZINC000178321021 432719638 /nfs/dbraw/zinc/71/96/38/432719638.db2.gz AWMVMAWTZKYXMC-INIZCTEOSA-N 2 1 319.836 3.388 10 0 DGAEMP COC[C@H](C)C[NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000187669461 432676814 /nfs/dbraw/zinc/67/68/14/432676814.db2.gz KAQJWOFIMOWXCF-IAGOWNOFSA-N 2 1 304.478 3.291 10 0 DGAEMP Cc1ccc2c(CC[NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)cn(C)c2c1 ZINC000188695156 432740140 /nfs/dbraw/zinc/74/01/40/432740140.db2.gz BWYAJDOXHSTMKN-QZTJIDSGSA-N 2 1 311.473 3.246 10 0 DGAEMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(CCC[NH+]2CCCC2)C1 ZINC000245626407 432851824 /nfs/dbraw/zinc/85/18/24/432851824.db2.gz PANKHSHIWKOTOF-MOPGFXCFSA-N 3 1 307.526 3.059 10 0 DGAEMP c1cc(C[NH+]2CCC(Nc3cc4c(c[nH+]3)CCC4)CC2)ccn1 ZINC000354543940 433143106 /nfs/dbraw/zinc/14/31/06/433143106.db2.gz QGDYFNUYBKPAAY-UHFFFAOYSA-N 2 1 308.429 3.042 10 0 DGAEMP C[C@@H]1CC(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)C[C@@H](C)O1 ZINC000282160982 433516372 /nfs/dbraw/zinc/51/63/72/433516372.db2.gz IMCGTMDUPYNHOX-IAGOWNOFSA-N 2 1 316.489 3.444 10 0 DGAEMP c1c[nH]c([C@@H]2CCC[N@H+](CCN3CCCc4ccccc43)C2)n1 ZINC000367128661 293028435 /nfs/dbraw/zinc/02/84/35/293028435.db2.gz FBQXUJUPSFYCCK-QGZVFWFLSA-N 2 1 310.445 3.042 10 0 DGAEMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCCOC(F)F ZINC000367181540 293035027 /nfs/dbraw/zinc/03/50/27/293035027.db2.gz YUWKRQOYCINBCI-GDBMZVCRSA-N 2 1 312.404 3.116 10 0 DGAEMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCCOC(F)F ZINC000367181540 293035029 /nfs/dbraw/zinc/03/50/29/293035029.db2.gz YUWKRQOYCINBCI-GDBMZVCRSA-N 2 1 312.404 3.116 10 0 DGAEMP c1ccc(COCCC[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)cc1 ZINC000309976908 434103865 /nfs/dbraw/zinc/10/38/65/434103865.db2.gz RRVRNLWASKNQGQ-OALUTQOASA-N 2 1 302.462 3.057 10 0 DGAEMP CC[C@](C)(C[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)OC ZINC000319950270 434232780 /nfs/dbraw/zinc/23/27/80/434232780.db2.gz VDQOAVIHXRUDHI-MTQWCTHYSA-N 2 1 316.489 3.302 10 0 DGAEMP Cc1cnccc1C[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000385076062 434298863 /nfs/dbraw/zinc/29/88/63/434298863.db2.gz XPNYQRNWHDYALH-NJDAHSKKSA-N 2 1 321.468 3.390 10 0 DGAEMP COC[C@@H](C)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000390655876 434367875 /nfs/dbraw/zinc/36/78/75/434367875.db2.gz KSKKVFHLBKIXLX-WMZOPIPTSA-N 2 1 304.478 3.159 10 0 DGAEMP COC[C@@H](C)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000390655876 434367878 /nfs/dbraw/zinc/36/78/78/434367878.db2.gz KSKKVFHLBKIXLX-WMZOPIPTSA-N 2 1 304.478 3.159 10 0 DGAEMP COC1(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)CCCC1 ZINC000398008962 434449214 /nfs/dbraw/zinc/44/92/14/434449214.db2.gz AKJNJMRITFJJJI-HKUYNNGSSA-N 2 1 316.489 3.446 10 0 DGAEMP CCC[C@H](C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)OC ZINC000398113864 434455502 /nfs/dbraw/zinc/45/55/02/434455502.db2.gz DYNODGJBMMPAAB-QXAKKESOSA-N 2 1 304.478 3.302 10 0 DGAEMP CCC(CC)(CO)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000398091944 434456067 /nfs/dbraw/zinc/45/60/67/434456067.db2.gz JOABKGOHWWPOBE-IEBWSBKVSA-N 2 1 318.505 3.285 10 0 DGAEMP COC1(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)CCC1 ZINC000360438808 434605743 /nfs/dbraw/zinc/60/57/43/434605743.db2.gz ZZEYWTAJAKUASQ-FUHWJXTLSA-N 2 1 302.462 3.056 10 0 DGAEMP c1cc(C[N@@H+]2CCO[C@@H](C3CC3)C2)ccc1C[NH+]1CCCCC1 ZINC000411564626 434800302 /nfs/dbraw/zinc/80/03/02/434800302.db2.gz TTZXEYXDEOFMHF-HXUWFJFHSA-N 2 1 314.473 3.283 10 0 DGAEMP c1cc(C[N@H+]2CCO[C@@H](C3CC3)C2)ccc1C[NH+]1CCCCC1 ZINC000411564626 434800306 /nfs/dbraw/zinc/80/03/06/434800306.db2.gz TTZXEYXDEOFMHF-HXUWFJFHSA-N 2 1 314.473 3.283 10 0 DGAEMP c1cc(C[NH+]2CCCCC2)cc(C[N@H+]2CCOCC3(CC3)C2)c1 ZINC000411511055 434791939 /nfs/dbraw/zinc/79/19/39/434791939.db2.gz ZUJRPYXJXFZEDT-UHFFFAOYSA-N 2 1 314.473 3.285 10 0 DGAEMP c1ccc(C[N@H+]2CC[C@H]([NH2+][C@H]3CCCOC3)[C@H]3CCC[C@H]32)cc1 ZINC000453236066 434835970 /nfs/dbraw/zinc/83/59/70/434835970.db2.gz UENOBBSDHPLOOV-ZGXWSNOMSA-N 2 1 314.473 3.198 10 0 DGAEMP CC(C)(CO)CC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000453270685 434846785 /nfs/dbraw/zinc/84/67/85/434846785.db2.gz FUKADXPPGVZKIN-LDLYASANSA-N 2 1 316.489 3.180 10 0 DGAEMP C/C(=C\c1ccc(Cl)cc1)C[NH2+]C1(CCO)CC[NH+](C)CC1 ZINC000573981081 434939591 /nfs/dbraw/zinc/93/95/91/434939591.db2.gz IQVDPNRYVBWGGX-FYWRMAATSA-N 2 1 322.880 3.180 10 0 DGAEMP CC(C)(C)OC(=O)C[C@@H]1CCC[N@H+](CCC[NH+]2CCCCC2)C1 ZINC000548066586 435664470 /nfs/dbraw/zinc/66/44/70/435664470.db2.gz DAHLIYSCWWHPFX-KRWDZBQOSA-N 2 1 324.509 3.306 10 0 DGAEMP CC(C)(C)OC(=O)C[C@@H]1CCC[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC000548066586 435664477 /nfs/dbraw/zinc/66/44/77/435664477.db2.gz DAHLIYSCWWHPFX-KRWDZBQOSA-N 2 1 324.509 3.306 10 0 DGAEMP COC(=O)C(C)(C)CC[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000549348732 435757486 /nfs/dbraw/zinc/75/74/86/435757486.db2.gz LKWKCWIPHQURMC-KRWDZBQOSA-N 2 1 324.509 3.164 10 0 DGAEMP C/C(=C/c1ccccc1OC(F)F)C[NH2+]CCC[NH+]1CCC1 ZINC000572617290 435846337 /nfs/dbraw/zinc/84/63/37/435846337.db2.gz YTBZWQAUHIBFTQ-OWBHPGMISA-N 2 1 310.388 3.377 10 0 DGAEMP CC1=CC[N@@H+](CCNC2CC[NH+]([C@H]3CCC[C@H](C)C3)CC2)CC1 ZINC000545864720 314271201 /nfs/dbraw/zinc/27/12/01/314271201.db2.gz JBDIOILRHBVILK-ICSRJNTNSA-N 2 1 319.537 3.271 10 0 DGAEMP CC1=CCN(CC[NH2+]C2CC[NH+]([C@H]3CCC[C@H](C)C3)CC2)CC1 ZINC000545864720 314271203 /nfs/dbraw/zinc/27/12/03/314271203.db2.gz JBDIOILRHBVILK-ICSRJNTNSA-N 2 1 319.537 3.271 10 0 DGAEMP c1ccc(C[N@H+]2CC[C@@H]([NH2+]C[C@H]3CCCCO3)CC23CC3)cc1 ZINC000566216111 315322780 /nfs/dbraw/zinc/32/27/80/315322780.db2.gz OIKLMEZAYNZOJY-RTBURBONSA-N 2 1 314.473 3.342 10 0 DGAEMP c1ccc(C[N@@H+]2CC[C@@H]([NH2+]C[C@H]3CCCCO3)CC23CC3)cc1 ZINC000566216111 315322783 /nfs/dbraw/zinc/32/27/83/315322783.db2.gz OIKLMEZAYNZOJY-RTBURBONSA-N 2 1 314.473 3.342 10 0 DGAEMP CC[N@H+]1CC[C@H]([NH+](C)CCCCC(=O)OC(C)(C)C)[C@H](C)C1 ZINC000182186813 323286190 /nfs/dbraw/zinc/28/61/90/323286190.db2.gz JALGRKCFZZUMGW-CVEARBPZSA-N 2 1 312.498 3.161 10 0 DGAEMP CC[NH+]1CC[C@H]([N@H+](C)CCCCC(=O)OC(C)(C)C)[C@H](C)C1 ZINC000182186813 323286192 /nfs/dbraw/zinc/28/61/92/323286192.db2.gz JALGRKCFZZUMGW-CVEARBPZSA-N 2 1 312.498 3.161 10 0 DGAEMP CC[NH+]1CC[C@H]([N@@H+](C)CCCCC(=O)OC(C)(C)C)[C@H](C)C1 ZINC000182186813 323286193 /nfs/dbraw/zinc/28/61/93/323286193.db2.gz JALGRKCFZZUMGW-CVEARBPZSA-N 2 1 312.498 3.161 10 0 DGAEMP C[C@@H]1C[C@@H]([NH2+]CCOCC2CCC2)CC[N@@H+]1Cc1ccccc1 ZINC000583726901 324389222 /nfs/dbraw/zinc/38/92/22/324389222.db2.gz IKFYIZBSAJZKMP-XLIONFOSSA-N 2 1 316.489 3.446 10 0 DGAEMP C[C@@H]1C[C@@H]([NH2+]CCOCC2CCC2)CC[N@H+]1Cc1ccccc1 ZINC000583726901 324389226 /nfs/dbraw/zinc/38/92/26/324389226.db2.gz IKFYIZBSAJZKMP-XLIONFOSSA-N 2 1 316.489 3.446 10 0 DGAEMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H]2CCCOc3cc(C)c(C)cc32)C1 ZINC000163268082 521711381 /nfs/dbraw/zinc/71/13/81/521711381.db2.gz YDFUQLNVNSFJFO-FUHWJXTLSA-N 2 1 302.462 3.449 10 0 DGAEMP Cc1ccc(N2CCC([NH2+][C@@H](C)c3cncc(F)c3)CC2)[nH+]c1 ZINC000163517603 524942571 /nfs/dbraw/zinc/94/25/71/524942571.db2.gz UGAGTMFZIBRZSS-AWEZNQCLSA-N 2 1 314.408 3.244 10 0 DGAEMP CO[C@@H]1CCC[C@H]([NH2+]CC[C@H](C)[N@@H+](C)Cc2ccccc2)C1 ZINC000379625182 546735465 /nfs/dbraw/zinc/73/54/65/546735465.db2.gz FMXCXNLWCRITIN-YTQUADARSA-N 2 1 304.478 3.444 10 0 DGAEMP C[C@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)[C@H]1CCCCO1 ZINC000393601705 575904608 /nfs/dbraw/zinc/90/46/08/575904608.db2.gz UNEDRMPXMJHGFD-QFBILLFUSA-N 2 1 302.462 3.198 10 0 DGAEMP C[C@@H]([NH2+]C1CCC(C)(O)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000703008632 660755123 /nfs/dbraw/zinc/75/51/23/660755123.db2.gz GHAZMIOWRSICRD-HSFDUWRESA-N 2 1 316.489 3.180 10 0 DGAEMP c1ccc(C[NH+]2CCC([NH2+]CC[C@@H]3CCSC3)CC2)cc1 ZINC000704848678 660822439 /nfs/dbraw/zinc/82/24/39/660822439.db2.gz ZTRCGRKCORSUSU-QGZVFWFLSA-N 2 1 304.503 3.384 10 0 DGAEMP C[C@H](c1ccccc1Br)[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723905776 655729423 /nfs/dbraw/zinc/72/94/23/655729423.db2.gz NMBYKOQMXGNRSF-JHJVBQTASA-N 2 1 311.267 3.427 10 0 DGAEMP C[C@H](CO)CCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716623038 661225071 /nfs/dbraw/zinc/22/50/71/661225071.db2.gz XEHWDJXCGABGQY-LEAZDLGRSA-N 2 1 316.489 3.038 10 0 DGAEMP C[C@H](CO)CCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716623035 661225232 /nfs/dbraw/zinc/22/52/32/661225232.db2.gz XEHWDJXCGABGQY-FFGOWVMKSA-N 2 1 316.489 3.038 10 0 DGAEMP CC(C)C[C@H](O)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716620027 661225252 /nfs/dbraw/zinc/22/52/52/661225252.db2.gz KHUXOTOWHXLXQM-MUGJNUQGSA-N 2 1 316.489 3.036 10 0 DGAEMP C[C@@H](CCO)CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716679214 661226419 /nfs/dbraw/zinc/22/64/19/661226419.db2.gz LTRQHJBFFGMNBJ-GTAWCEEGSA-N 2 1 316.489 3.038 10 0 DGAEMP COC(C)(C)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716674256 661226464 /nfs/dbraw/zinc/22/64/64/661226464.db2.gz WWLFLHQTRIBTIN-BZSNNMDCSA-N 2 1 302.462 3.054 10 0 DGAEMP COCC[C@H](C)[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716678669 661226656 /nfs/dbraw/zinc/22/66/56/661226656.db2.gz ABSWBJUAIHVRLM-WNHJNPCNSA-N 2 1 302.462 3.054 10 0 DGAEMP C[C@@H](C[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2)C[C@H](C)O ZINC000716680299 661226699 /nfs/dbraw/zinc/22/66/99/661226699.db2.gz HVYHKFUKUPPXAL-JVJLKXRTSA-N 2 1 316.489 3.036 10 0 DGAEMP CC(C)(C)[C@H](O)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716712041 661227593 /nfs/dbraw/zinc/22/75/93/661227593.db2.gz KJEABTJIXPIWLS-CADBVGFASA-N 2 1 316.489 3.036 10 0 DGAEMP COC[C@H]1C[C@@H]([NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)C1 ZINC000716699871 661227604 /nfs/dbraw/zinc/22/76/04/661227604.db2.gz MOURXUNBNFVFNM-KNJMJIDISA-N 2 1 314.473 3.054 10 0 DGAEMP COCC1(C[NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)CC1 ZINC000716729712 661228236 /nfs/dbraw/zinc/22/82/36/661228236.db2.gz VGUFWLXTMLNLFR-OTWHNJEPSA-N 2 1 314.473 3.056 10 0 DGAEMP c1ccc(C[N@@H+]2CCCC[C@H](CN[C@@H]3CCC[NH2+]CC3)C2)cc1 ZINC000261539017 656904847 /nfs/dbraw/zinc/90/48/47/656904847.db2.gz BJIVGXHHMDSSOQ-WOJBJXKFSA-N 2 1 315.505 3.020 10 0 DGAEMP c1ccc(C[N@H+]2CCCC[C@H](C[NH2+][C@@H]3CCC[NH2+]CC3)C2)cc1 ZINC000261539017 656904850 /nfs/dbraw/zinc/90/48/50/656904850.db2.gz BJIVGXHHMDSSOQ-WOJBJXKFSA-N 3 1 315.505 3.020 10 0 DGAEMP c1ccc(C[N@@H+]2CCCC[C@H](C[NH2+][C@@H]3CCC[NH2+]CC3)C2)cc1 ZINC000261539017 656904854 /nfs/dbraw/zinc/90/48/54/656904854.db2.gz BJIVGXHHMDSSOQ-WOJBJXKFSA-N 3 1 315.505 3.020 10 0 DGAEMP C[N@@H+]1CC[C@@H](C[NH2+]C/C=C\c2ccccc2)[C@@H]1c1cccnc1 ZINC000414481891 657586991 /nfs/dbraw/zinc/58/69/91/657586991.db2.gz CEIQZBACPIKWEK-QXBNDQRDSA-N 2 1 307.441 3.377 10 0 DGAEMP C[N@H+]1CC[C@@H](C[NH2+]C/C=C\c2ccccc2)[C@@H]1c1cccnc1 ZINC000414481891 657587004 /nfs/dbraw/zinc/58/70/04/657587004.db2.gz CEIQZBACPIKWEK-QXBNDQRDSA-N 2 1 307.441 3.377 10 0 DGAEMP Cc1cc(C)cc([C@@H](O)C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c1 ZINC000173870042 659403241 /nfs/dbraw/zinc/40/32/41/659403241.db2.gz KEOFDYLLZCBISA-QUCCMNQESA-N 2 1 316.489 3.145 10 0 DGAEMP Cc1cc(C)cc([C@@H](O)C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c1 ZINC000173870042 659403242 /nfs/dbraw/zinc/40/32/42/659403242.db2.gz KEOFDYLLZCBISA-QUCCMNQESA-N 2 1 316.489 3.145 10 0 DGAEMP C[C@H]([NH2+][C@@H]1CCCc2n[nH]cc21)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000353684453 660026726 /nfs/dbraw/zinc/02/67/26/660026726.db2.gz SIUDXZMRTSPRKA-KVSKMBFKSA-N 2 1 324.472 3.287 10 0 DGAEMP C[C@@H]([NH2+]CCc1c[nH+]cn1C)c1ccc(C(F)(F)F)s1 ZINC000718012960 662214314 /nfs/dbraw/zinc/21/43/14/662214314.db2.gz HLQZYMNDLHZOAH-SECBINFHSA-N 2 1 303.353 3.394 10 0 DGAEMP CC[C@@H](C)C[N@@H+](C)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000246162038 662249132 /nfs/dbraw/zinc/24/91/32/662249132.db2.gz DIMGIEXHJJXGNV-YLJYHZDGSA-N 2 1 318.505 3.410 10 0 DGAEMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCc1ccns1 ZINC000719908520 662299448 /nfs/dbraw/zinc/29/94/48/662299448.db2.gz QROLCGLRXNEEEZ-MAUKXSAKSA-N 2 1 315.486 3.186 10 0 DGAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1C[C@@H](O)c1cc(C)cc(C)c1 ZINC000247232243 662304304 /nfs/dbraw/zinc/30/43/04/662304304.db2.gz ZJOYWBTWDJLQLG-RBUKOAKNSA-N 2 1 313.445 3.006 10 0 DGAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1C[C@@H](O)c1cc(C)cc(C)c1 ZINC000247232243 662304305 /nfs/dbraw/zinc/30/43/05/662304305.db2.gz ZJOYWBTWDJLQLG-RBUKOAKNSA-N 2 1 313.445 3.006 10 0 DGAEMP CO[C@@H]1CCC[C@H]([NH2+]C[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000380978761 685155132 /nfs/dbraw/zinc/15/51/32/685155132.db2.gz HTIMCGSMZJBRQF-ZCNNSNEGSA-N 2 1 316.489 3.446 10 0 DGAEMP Fc1ccc2nc([C@@H]3CCC[N@@H+](C[C@@H]4CCC[NH2+]C4)C3)oc2c1 ZINC000262050299 1204304100 /nfs/dbraw/zinc/30/41/00/1204304100.db2.gz ZNWVWSBVZMTOFR-ZIAGYGMSSA-N 2 1 317.408 3.146 10 0 DGAEMP Fc1ccc2nc([C@H]3CCC[N@@H+](C[C@H]4CCC[NH2+]C4)C3)oc2c1 ZINC000262050296 1204304233 /nfs/dbraw/zinc/30/42/33/1204304233.db2.gz ZNWVWSBVZMTOFR-KBPBESRZSA-N 2 1 317.408 3.146 10 0 DGAEMP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)C1CC[NH2+]CC1 ZINC000400774685 1093914685 /nfs/dbraw/zinc/91/46/85/1093914685.db2.gz OCHFZXAZPBRZKH-ABSDTBQOSA-N 3 1 315.505 3.017 10 0 DGAEMP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)C1CC[NH2+]CC1 ZINC000400774685 1093914694 /nfs/dbraw/zinc/91/46/94/1093914694.db2.gz OCHFZXAZPBRZKH-ABSDTBQOSA-N 3 1 315.505 3.017 10 0 DGAEMP c1[nH]nc2c1[C@H]([NH2+]C[C@H]1CCC[N@@H+](Cc3ccccc3)C1)CCC2 ZINC000401671686 1093963391 /nfs/dbraw/zinc/96/33/91/1093963391.db2.gz ZVYGQHZLDSKVIH-IEBWSBKVSA-N 2 1 324.472 3.289 10 0 DGAEMP CC[N@H+]1CC[C@H]([NH+](C)C/C=C/c2ccccc2OC)[C@H](C)C1 ZINC000093639187 193278240 /nfs/dbraw/zinc/27/82/40/193278240.db2.gz PUVPSUOETFPKSJ-JLLINPMKSA-N 2 1 302.462 3.371 10 0 DGAEMP CC[NH+]1CC[C@H]([N@H+](C)C/C=C/c2ccccc2OC)[C@H](C)C1 ZINC000093639187 193278242 /nfs/dbraw/zinc/27/82/42/193278242.db2.gz PUVPSUOETFPKSJ-JLLINPMKSA-N 2 1 302.462 3.371 10 0 DGAEMP CC[NH+]1CC[C@H]([N@@H+](C)C/C=C/c2ccccc2OC)[C@H](C)C1 ZINC000093639187 193278243 /nfs/dbraw/zinc/27/82/43/193278243.db2.gz PUVPSUOETFPKSJ-JLLINPMKSA-N 2 1 302.462 3.371 10 0 DGAEMP CC[N@H+]1CC[C@H]([NH2+]CCc2ccc(OC)cc2Cl)[C@H](C)C1 ZINC000122880808 284227660 /nfs/dbraw/zinc/22/76/60/284227660.db2.gz XWMNSSHTYIIQLD-DYVFJYSZSA-N 2 1 310.869 3.211 10 0 DGAEMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1cc(-c2ccccc2)n[nH]1 ZINC000136048082 432143035 /nfs/dbraw/zinc/14/30/35/432143035.db2.gz MUEGNPMIWKBPQB-AWEZNQCLSA-N 2 1 309.417 3.008 10 0 DGAEMP CC[C@H]([NH3+])[C@@H](c1ccccc1Br)n1cc[nH+]c1C ZINC000043093686 183336525 /nfs/dbraw/zinc/33/65/25/183336525.db2.gz OKGJRGDIFNOQIE-UONOGXRCSA-N 2 1 308.223 3.281 10 0 DGAEMP C[C@@H]1C[C@H](NC[C@@H]2CCCC[NH+]2Cc2ccccc2)CC[N@H+]1C ZINC000119664458 195011745 /nfs/dbraw/zinc/01/17/45/195011745.db2.gz HHNWLPMQHRKSDS-RLLQIKCJSA-N 2 1 315.505 3.113 10 0 DGAEMP C[C@@H]1C[C@H](NC[C@@H]2CCCC[N@@H+]2Cc2ccccc2)CC[NH+]1C ZINC000119664458 195011746 /nfs/dbraw/zinc/01/17/46/195011746.db2.gz HHNWLPMQHRKSDS-RLLQIKCJSA-N 2 1 315.505 3.113 10 0 DGAEMP C[C@@H]1C[C@H](NC[C@@H]2CCCC[N@H+]2Cc2ccccc2)CC[NH+]1C ZINC000119664458 195011748 /nfs/dbraw/zinc/01/17/48/195011748.db2.gz HHNWLPMQHRKSDS-RLLQIKCJSA-N 2 1 315.505 3.113 10 0 DGAEMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCCN2Cc2ccccc2)CC[N@@H+]1C ZINC000119664458 195011749 /nfs/dbraw/zinc/01/17/49/195011749.db2.gz HHNWLPMQHRKSDS-RLLQIKCJSA-N 2 1 315.505 3.113 10 0 DGAEMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCCN2Cc2ccccc2)CC[N@H+]1C ZINC000119664458 195011752 /nfs/dbraw/zinc/01/17/52/195011752.db2.gz HHNWLPMQHRKSDS-RLLQIKCJSA-N 2 1 315.505 3.113 10 0 DGAEMP Cc1nccnc1[C@H](C)N[C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000249193800 285062720 /nfs/dbraw/zinc/06/27/20/285062720.db2.gz PLKHFDPHTAMXQC-KBMXLJTQSA-N 2 1 302.466 3.089 10 0 DGAEMP Cc1nccnc1[C@H](C)[NH2+][C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000249193800 285062723 /nfs/dbraw/zinc/06/27/23/285062723.db2.gz PLKHFDPHTAMXQC-KBMXLJTQSA-N 2 1 302.466 3.089 10 0 DGAEMP Cc1nccnc1[C@H](C)[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000249193800 285062727 /nfs/dbraw/zinc/06/27/27/285062727.db2.gz PLKHFDPHTAMXQC-KBMXLJTQSA-N 2 1 302.466 3.089 10 0 DGAEMP CC1CCC(C[NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000343252936 254120867 /nfs/dbraw/zinc/12/08/67/254120867.db2.gz CSKDFZCKCUCXJZ-AFMYVXGZSA-N 2 1 316.489 3.039 10 0 DGAEMP CC1CCC(C[NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000343252936 254120869 /nfs/dbraw/zinc/12/08/69/254120869.db2.gz CSKDFZCKCUCXJZ-AFMYVXGZSA-N 2 1 316.489 3.039 10 0 DGAEMP C[C@@H]1C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)[C@H](C)O1 ZINC000295004608 533643016 /nfs/dbraw/zinc/64/30/16/533643016.db2.gz IKYSXQVSGFJRSI-NHJFUUOTSA-N 2 1 314.473 3.338 10 0 DGAEMP Cc1ccc(C)n2c1[nH+]c(-c1ccccc1)c2N1CC[NH2+]CC1 ZINC000095936040 292089275 /nfs/dbraw/zinc/08/92/75/292089275.db2.gz MYXVKNHPAIWWEH-UHFFFAOYSA-N 2 1 306.413 3.028 10 0 DGAEMP C[C@@](C[NH3+])([C@H]1CCOC1)[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000306948744 400127036 /nfs/dbraw/zinc/12/70/36/400127036.db2.gz AAPXMHFNBYDJPZ-LEWJYISDSA-N 2 1 324.468 3.443 10 0 DGAEMP CCSCC[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000393905886 400279777 /nfs/dbraw/zinc/27/97/77/400279777.db2.gz MJDLAJRUYWENCN-RCCFBDPRSA-N 2 1 304.503 3.240 10 0 DGAEMP c1ccc(CSCC[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)cc1 ZINC000592425521 400648262 /nfs/dbraw/zinc/64/82/62/400648262.db2.gz IAWGFTNJKSWSRH-MSOLQXFVSA-N 2 1 304.503 3.384 10 0 DGAEMP C[NH2+]CCOCC[N@H+](C)[C@H](C)c1cc(Cl)ccc1Cl ZINC000629570756 400979797 /nfs/dbraw/zinc/97/97/97/400979797.db2.gz CKYILUOBNHUORR-LLVKDONJSA-N 2 1 305.249 3.222 10 0 DGAEMP C[NH2+]CCOCC[N@@H+](C)[C@H](C)c1cc(Cl)ccc1Cl ZINC000629570756 400979804 /nfs/dbraw/zinc/97/98/04/400979804.db2.gz CKYILUOBNHUORR-LLVKDONJSA-N 2 1 305.249 3.222 10 0 DGAEMP c1cc(C[N@@H+]2CCCC3(CC3)CC2)ccc1C[NH+]1CCOCC1 ZINC000626115290 401304733 /nfs/dbraw/zinc/30/47/33/401304733.db2.gz NRHKLESSGPZSOR-UHFFFAOYSA-N 2 1 314.473 3.285 10 0 DGAEMP c1cc(C[N@H+]2CCCC3(CC3)CC2)ccc1C[NH+]1CCOCC1 ZINC000626115290 401304737 /nfs/dbraw/zinc/30/47/37/401304737.db2.gz NRHKLESSGPZSOR-UHFFFAOYSA-N 2 1 314.473 3.285 10 0 DGAEMP CC(=O)N1CC[C@H]([NH2+]CCC[N@@H+](C)CC(C)C)c2ccccc21 ZINC000621765278 401297898 /nfs/dbraw/zinc/29/78/98/401297898.db2.gz VRFYHGJOBPDGAO-SFHVURJKSA-N 2 1 317.477 3.052 10 0 DGAEMP CC(=O)N1CC[C@H]([NH2+]CCC[N@H+](C)CC(C)C)c2ccccc21 ZINC000621765278 401297900 /nfs/dbraw/zinc/29/79/00/401297900.db2.gz VRFYHGJOBPDGAO-SFHVURJKSA-N 2 1 317.477 3.052 10 0 DGAEMP C[C@H]([NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCCCO1 ZINC000623975053 401607436 /nfs/dbraw/zinc/60/74/36/401607436.db2.gz XYQIBPFAXGLJMP-UHOSZYNNSA-N 2 1 302.462 3.056 10 0 DGAEMP Cc1ccc2c(c1)[C@@H]([NH2+]C1CC[NH+](C3CC3)CC1)CCCO2 ZINC000119688665 292351854 /nfs/dbraw/zinc/35/18/54/292351854.db2.gz YPFFTYNTNLWSFK-SFHVURJKSA-N 2 1 300.446 3.425 10 0 DGAEMP C[C@@H](CO)CCC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000365810492 287174548 /nfs/dbraw/zinc/17/45/48/287174548.db2.gz AXRHHXNSXPRJFQ-AFYVEPGGSA-N 2 1 316.489 3.180 10 0 DGAEMP C[NH+](Cc1cccnc1)C[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000190487965 432162187 /nfs/dbraw/zinc/16/21/87/432162187.db2.gz FBKPVLNZUDJBRP-HXUWFJFHSA-N 2 1 309.457 3.078 10 0 DGAEMP C[NH+](Cc1cccnc1)C[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000190487965 432162191 /nfs/dbraw/zinc/16/21/91/432162191.db2.gz FBKPVLNZUDJBRP-HXUWFJFHSA-N 2 1 309.457 3.078 10 0 DGAEMP COc1ccc(CC[N@H+]2CC[C@H](CNc3ccccn3)C2)cc1 ZINC000171644993 432155160 /nfs/dbraw/zinc/15/51/60/432155160.db2.gz CZVNJYCCFKVSCV-QGZVFWFLSA-N 2 1 311.429 3.067 10 0 DGAEMP C[N@@H+](Cc1cccnc1)C[C@H]1CC[NH+](CCc2ccccc2)C1 ZINC000190487965 432162179 /nfs/dbraw/zinc/16/21/79/432162179.db2.gz FBKPVLNZUDJBRP-HXUWFJFHSA-N 2 1 309.457 3.078 10 0 DGAEMP C[N@H+](Cc1cccnc1)C[C@H]1CC[NH+](CCc2ccccc2)C1 ZINC000190487965 432162184 /nfs/dbraw/zinc/16/21/84/432162184.db2.gz FBKPVLNZUDJBRP-HXUWFJFHSA-N 2 1 309.457 3.078 10 0 DGAEMP COCc1cccc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1 ZINC000246873140 432175952 /nfs/dbraw/zinc/17/59/52/432175952.db2.gz QDKIQKMNDLXVMR-AZUAARDMSA-N 2 1 314.473 3.282 10 0 DGAEMP COCc1cccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000246873140 432175956 /nfs/dbraw/zinc/17/59/56/432175956.db2.gz QDKIQKMNDLXVMR-AZUAARDMSA-N 2 1 314.473 3.282 10 0 DGAEMP Cc1ccc(N2CCC[C@H]([NH2+][C@@H]3CC[N@H+](C)[C@@H](C)C3)C2)cc1 ZINC000247066163 432198445 /nfs/dbraw/zinc/19/84/45/432198445.db2.gz MSDUCGWNFNMHCY-KSZLIROESA-N 2 1 301.478 3.036 10 0 DGAEMP Cc1ccc(N2CCC[C@H]([NH2+][C@@H]3CC[N@@H+](C)[C@@H](C)C3)C2)cc1 ZINC000247066163 432198448 /nfs/dbraw/zinc/19/84/48/432198448.db2.gz MSDUCGWNFNMHCY-KSZLIROESA-N 2 1 301.478 3.036 10 0 DGAEMP Cc1ccc(N2CCC[C@H]([NH2+][C@H]3CC[N@H+](C)[C@H](C)C3)C2)cc1 ZINC000247066178 432198594 /nfs/dbraw/zinc/19/85/94/432198594.db2.gz MSDUCGWNFNMHCY-SQNIBIBYSA-N 2 1 301.478 3.036 10 0 DGAEMP Cc1ccc(N2CCC[C@H]([NH2+][C@H]3CC[N@@H+](C)[C@H](C)C3)C2)cc1 ZINC000247066178 432198599 /nfs/dbraw/zinc/19/85/99/432198599.db2.gz MSDUCGWNFNMHCY-SQNIBIBYSA-N 2 1 301.478 3.036 10 0 DGAEMP CC[N@H+]1CC[C@@H]([NH2+]CCc2ccc(OC)cc2Cl)[C@@H](C)C1 ZINC000247245255 432215993 /nfs/dbraw/zinc/21/59/93/432215993.db2.gz XWMNSSHTYIIQLD-SUMWQHHRSA-N 2 1 310.869 3.211 10 0 DGAEMP c1ccc2c(c1)nc(CN[C@@H]1CC[N@H+]3CCC[C@@H]3C1)n2C1CC1 ZINC000355503435 266096092 /nfs/dbraw/zinc/09/60/92/266096092.db2.gz AYPYUKQOBFYXNY-GDBMZVCRSA-N 2 1 310.445 3.088 10 0 DGAEMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H]1CCCC[C@@H]1O ZINC000268991513 274355233 /nfs/dbraw/zinc/35/52/33/274355233.db2.gz MSFVDWLQOADVFS-GTAWCEEGSA-N 2 1 316.489 3.038 10 0 DGAEMP CC[NH+](CC)CC1CCN(C[C@H]2CCCC[N@H+]2C(C)C)CC1 ZINC000450265005 276323598 /nfs/dbraw/zinc/32/35/98/276323598.db2.gz WCSITTRWFKJDAW-LJQANCHMSA-N 2 1 309.542 3.303 10 0 DGAEMP CC[NH+](CC)CC1CC[NH+](C[C@H]2CCCCN2C(C)C)CC1 ZINC000450265005 276323599 /nfs/dbraw/zinc/32/35/99/276323599.db2.gz WCSITTRWFKJDAW-LJQANCHMSA-N 2 1 309.542 3.303 10 0 DGAEMP Cc1cccc([C@H](C)[NH+]2CCN(C[C@H]3CCCC[N@H+]3C)CC2)c1 ZINC000075718645 431498071 /nfs/dbraw/zinc/49/80/71/431498071.db2.gz MNNUNZBIXLIRJG-AZUAARDMSA-N 2 1 315.505 3.158 10 0 DGAEMP Cc1cc(C)c(C[N@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)cc1C ZINC000121077048 431745422 /nfs/dbraw/zinc/74/54/22/431745422.db2.gz ZQXSTYUQZLVDGF-SFHVURJKSA-N 2 1 318.505 3.136 10 0 DGAEMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(OC(F)F)cc2)[C@H](C)C1 ZINC000081095612 431781995 /nfs/dbraw/zinc/78/19/95/431781995.db2.gz ZLBRVGLTYJQPHZ-CJNGLKHVSA-N 2 1 312.404 3.450 10 0 DGAEMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(OC(F)F)cc2)[C@H](C)C1 ZINC000081095612 431782000 /nfs/dbraw/zinc/78/20/00/431782000.db2.gz ZLBRVGLTYJQPHZ-CJNGLKHVSA-N 2 1 312.404 3.450 10 0 DGAEMP CC[N@H+]1CC[C@H]([NH+](C)CCCOc2ccc(OC)cc2)[C@H](C)C1 ZINC000081096899 431783217 /nfs/dbraw/zinc/78/32/17/431783217.db2.gz XKPUABJVBTZTLF-APWZRJJASA-N 2 1 320.477 3.126 10 0 DGAEMP CC[NH+]1CC[C@H]([N@H+](C)CCCOc2ccc(OC)cc2)[C@H](C)C1 ZINC000081096899 431783224 /nfs/dbraw/zinc/78/32/24/431783224.db2.gz XKPUABJVBTZTLF-APWZRJJASA-N 2 1 320.477 3.126 10 0 DGAEMP C[C@@H]1C[C@H]([NH+](C)CCC(=O)Nc2cccc(Cl)c2)CC[N@@H+]1C ZINC000123734493 431873108 /nfs/dbraw/zinc/87/31/08/431873108.db2.gz OPKGISLLWUMYEM-CZUORRHYSA-N 2 1 323.868 3.083 10 0 DGAEMP C[C@@H]1C[C@H]([NH+](C)CCC(=O)Nc2cccc(Cl)c2)CC[N@H+]1C ZINC000123734493 431873109 /nfs/dbraw/zinc/87/31/09/431873109.db2.gz OPKGISLLWUMYEM-CZUORRHYSA-N 2 1 323.868 3.083 10 0 DGAEMP C[C@@H]1C[C@H]([N@H+](C)CCC(=O)Nc2cccc(Cl)c2)CC[NH+]1C ZINC000123734493 431873111 /nfs/dbraw/zinc/87/31/11/431873111.db2.gz OPKGISLLWUMYEM-CZUORRHYSA-N 2 1 323.868 3.083 10 0 DGAEMP C[C@@H]1C[C@H]([N@@H+](C)CCC(=O)Nc2cccc(Cl)c2)CC[NH+]1C ZINC000123734493 431873113 /nfs/dbraw/zinc/87/31/13/431873113.db2.gz OPKGISLLWUMYEM-CZUORRHYSA-N 2 1 323.868 3.083 10 0 DGAEMP Clc1ccc(OCC[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)cc1 ZINC000037917784 431851309 /nfs/dbraw/zinc/85/13/09/431851309.db2.gz QDKKXVLTYJHYBM-YOEHRIQHSA-N 2 1 308.853 3.183 10 0 DGAEMP CC(C)c1ccccc1NC(=O)CN(C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000123029809 431852498 /nfs/dbraw/zinc/85/24/98/431852498.db2.gz WUVGIYAWCOVDOL-HOTGVXAUSA-N 2 1 317.477 3.163 10 0 DGAEMP Cn1cc[nH+]c1CC1CC[NH+](Cc2ccc3ccccc3n2)CC1 ZINC000124630398 431899639 /nfs/dbraw/zinc/89/96/39/431899639.db2.gz NLJVCTNPTGRANX-UHFFFAOYSA-N 2 1 320.440 3.423 10 0 DGAEMP C[N@H+]1CCC[C@@H]2C[NH+](CCCOCc3ccccc3)CC[C@H]21 ZINC000248576875 432303550 /nfs/dbraw/zinc/30/35/50/432303550.db2.gz NQEGDKJEBWYYJG-RTBURBONSA-N 2 1 302.462 3.009 10 0 DGAEMP C[NH+]1CCC[C@@H]2C[N@H+](CCCOCc3ccccc3)CC[C@H]21 ZINC000248576875 432303556 /nfs/dbraw/zinc/30/35/56/432303556.db2.gz NQEGDKJEBWYYJG-RTBURBONSA-N 2 1 302.462 3.009 10 0 DGAEMP C[NH+]1CCC[C@@H]2C[N@@H+](CCCOCc3ccccc3)CC[C@H]21 ZINC000248576875 432303559 /nfs/dbraw/zinc/30/35/59/432303559.db2.gz NQEGDKJEBWYYJG-RTBURBONSA-N 2 1 302.462 3.009 10 0 DGAEMP CC[C@H]1CN(c2ccccc2)CC[N@H+]1CC[C@@H]1CCC[NH+]1C ZINC000184018466 432345953 /nfs/dbraw/zinc/34/59/53/432345953.db2.gz DYZZAXQOQNRCHW-ROUUACIJSA-N 2 1 301.478 3.072 10 0 DGAEMP CC[C@H]1CN(c2ccccc2)CC[NH+]1CC[C@@H]1CCC[N@@H+]1C ZINC000184018466 432345956 /nfs/dbraw/zinc/34/59/56/432345956.db2.gz DYZZAXQOQNRCHW-ROUUACIJSA-N 2 1 301.478 3.072 10 0 DGAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CCc1ccc(F)c(F)c1 ZINC000152146733 432308939 /nfs/dbraw/zinc/30/89/39/432308939.db2.gz SPSXXBXMTOEHJW-HNNXBMFYSA-N 2 1 305.372 3.177 10 0 DGAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CCc1ccc(F)c(F)c1 ZINC000152146733 432308943 /nfs/dbraw/zinc/30/89/43/432308943.db2.gz SPSXXBXMTOEHJW-HNNXBMFYSA-N 2 1 305.372 3.177 10 0 DGAEMP CCCC[C@@H](CC)C[NH+]1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000183616669 432309780 /nfs/dbraw/zinc/30/97/80/432309780.db2.gz UPMVOJDANNTQIP-RTBURBONSA-N 2 1 309.542 3.305 10 0 DGAEMP CCCC[C@H](CC)C[NH+]1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000183616652 432309947 /nfs/dbraw/zinc/30/99/47/432309947.db2.gz UPMVOJDANNTQIP-OALUTQOASA-N 2 1 309.542 3.305 10 0 DGAEMP Cc1nccn1-c1ccc([C@@H](C)[NH2+]CC[C@@H]2CCC[N@H+]2C)cc1 ZINC000183678917 432315602 /nfs/dbraw/zinc/31/56/02/432315602.db2.gz IYMJLZGOHQDDRU-QAPCUYQASA-N 3 1 312.461 3.316 10 0 DGAEMP Cc1cncc([C@H](C)[NH2+]C2CCN(c3cccc(C)[nH+]3)CC2)c1 ZINC000184360427 432383088 /nfs/dbraw/zinc/38/30/88/432383088.db2.gz MZPHMAVQBLRLSV-INIZCTEOSA-N 2 1 310.445 3.413 10 0 DGAEMP C[C@@H]1C[C@H](NC[C@]2(C)CCC[NH+]2Cc2ccccc2)CC[N@H+]1C ZINC000152946658 432370546 /nfs/dbraw/zinc/37/05/46/432370546.db2.gz CRIIPUGUZWVNBL-RLLQIKCJSA-N 2 1 315.505 3.113 10 0 DGAEMP C[C@@H]1C[C@H](NC[C@]2(C)CCC[N@@H+]2Cc2ccccc2)CC[NH+]1C ZINC000152946658 432370548 /nfs/dbraw/zinc/37/05/48/432370548.db2.gz CRIIPUGUZWVNBL-RLLQIKCJSA-N 3 1 315.505 3.113 10 0 DGAEMP C[C@@H]1C[C@H](NC[C@]2(C)CCC[N@H+]2Cc2ccccc2)CC[NH+]1C ZINC000152946658 432370551 /nfs/dbraw/zinc/37/05/51/432370551.db2.gz CRIIPUGUZWVNBL-RLLQIKCJSA-N 3 1 315.505 3.113 10 0 DGAEMP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1ccccc1OCc1ccccc1 ZINC000261557040 432430754 /nfs/dbraw/zinc/43/07/54/432430754.db2.gz WTHAXDLKRNKTJJ-APWZRJJASA-N 2 1 310.441 3.353 10 0 DGAEMP Cc1nc(C(F)(F)F)c(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)s1 ZINC000262122043 432475267 /nfs/dbraw/zinc/47/52/67/432475267.db2.gz MGZKAXXMSRAVJG-AXFHLTTASA-N 2 1 319.396 3.030 10 0 DGAEMP Cc1nc(C(F)(F)F)c(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)s1 ZINC000262122043 432475272 /nfs/dbraw/zinc/47/52/72/432475272.db2.gz MGZKAXXMSRAVJG-AXFHLTTASA-N 2 1 319.396 3.030 10 0 DGAEMP CC[N@H+]1CC[C@@H]([NH+](C)CCCc2ccc3c(c2)CCO3)[C@H](C)C1 ZINC000193254103 432461242 /nfs/dbraw/zinc/46/12/42/432461242.db2.gz HIBGJUFSPLGYIF-VQIMIIECSA-N 2 1 316.489 3.216 10 0 DGAEMP CC[NH+]1CC[C@@H]([N@H+](C)CCCc2ccc3c(c2)CCO3)[C@H](C)C1 ZINC000193254103 432461245 /nfs/dbraw/zinc/46/12/45/432461245.db2.gz HIBGJUFSPLGYIF-VQIMIIECSA-N 2 1 316.489 3.216 10 0 DGAEMP CC[NH+]1CC[C@@H]([N@@H+](C)CCCc2ccc3c(c2)CCO3)[C@H](C)C1 ZINC000193254103 432461249 /nfs/dbraw/zinc/46/12/49/432461249.db2.gz HIBGJUFSPLGYIF-VQIMIIECSA-N 2 1 316.489 3.216 10 0 DGAEMP CC(C)(C[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1)Cc1ccccc1 ZINC000261933473 432461378 /nfs/dbraw/zinc/46/13/78/432461378.db2.gz LYQDDXIDYUKNFN-GUDVDZBRSA-N 2 1 316.489 3.002 10 0 DGAEMP CC(C)(C)c1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)cc1 ZINC000261990214 432467362 /nfs/dbraw/zinc/46/73/62/432467362.db2.gz SPSLXJYTWZRRJX-GUDVDZBRSA-N 2 1 316.489 3.231 10 0 DGAEMP C[C@H]1C[C@H]([NH+](C)Cc2cccc(Br)c2)CC[N@@H+]1C ZINC000177059298 432581136 /nfs/dbraw/zinc/58/11/36/432581136.db2.gz KJKRGAWHIKMKQI-SWLSCSKDSA-N 2 1 311.267 3.364 10 0 DGAEMP C[C@H]1C[C@H]([NH+](C)Cc2cccc(Br)c2)CC[N@H+]1C ZINC000177059298 432581141 /nfs/dbraw/zinc/58/11/41/432581141.db2.gz KJKRGAWHIKMKQI-SWLSCSKDSA-N 2 1 311.267 3.364 10 0 DGAEMP C[C@H]1C[C@H]([N@H+](C)Cc2cccc(Br)c2)CC[NH+]1C ZINC000177059298 432581143 /nfs/dbraw/zinc/58/11/43/432581143.db2.gz KJKRGAWHIKMKQI-SWLSCSKDSA-N 2 1 311.267 3.364 10 0 DGAEMP C[C@H]1C[C@H]([N@@H+](C)Cc2cccc(Br)c2)CC[NH+]1C ZINC000177059298 432581147 /nfs/dbraw/zinc/58/11/47/432581147.db2.gz KJKRGAWHIKMKQI-SWLSCSKDSA-N 2 1 311.267 3.364 10 0 DGAEMP c1ccc2oc([C@H]3CCC[N@H+](CCC[NH+]4CCCC4)C3)nc2c1 ZINC000162796805 432834662 /nfs/dbraw/zinc/83/46/62/432834662.db2.gz IGVDEGWFVOCPFQ-INIZCTEOSA-N 2 1 313.445 3.493 10 0 DGAEMP Cc1ccc(C)c([C@@H]2C[N@@H+](CC3CC[NH2+]CC3)[C@H](C)CO2)c1 ZINC000178975413 432792525 /nfs/dbraw/zinc/79/25/25/432792525.db2.gz LSDJDBIVCGYMPJ-APWZRJJASA-N 2 1 302.462 3.065 10 0 DGAEMP c1cc(C[NH+]2CCCCC2)ccc1C[N@H+]1CC[C@@]12CCOC2 ZINC000421026820 433395460 /nfs/dbraw/zinc/39/54/60/433395460.db2.gz UABBWBLFOYRHLI-IBGZPJMESA-N 2 1 300.446 3.037 10 0 DGAEMP Cc1cc(CC[NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)on1 ZINC000376068050 433654940 /nfs/dbraw/zinc/65/49/40/433654940.db2.gz OEGRVAJTFVUQLM-SJLPKXTDSA-N 2 1 313.445 3.026 10 0 DGAEMP Cc1cccc2c(N3C[C@@H]4C[N@H+]5CCCC[C@H]5[C@@H]4C3)cc[nH+]c12 ZINC000301697857 433681083 /nfs/dbraw/zinc/68/10/83/433681083.db2.gz ZXLRAQQPIOHGBY-JQHSSLGASA-N 2 1 307.441 3.464 10 0 DGAEMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)[C@@H](C)O1 ZINC000449155919 433723721 /nfs/dbraw/zinc/72/37/21/433723721.db2.gz CLYAARSUJQZPIR-LFYQSXPISA-N 2 1 308.491 3.287 10 0 DGAEMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)[C@@H](C)O1 ZINC000449155919 433723729 /nfs/dbraw/zinc/72/37/29/433723729.db2.gz CLYAARSUJQZPIR-LFYQSXPISA-N 2 1 308.491 3.287 10 0 DGAEMP c1ccc(COc2ccccc2C[NH2+]CC[C@H]2CCC[NH2+]2)cc1 ZINC000414919368 433916208 /nfs/dbraw/zinc/91/62/08/433916208.db2.gz WYHZLHHBQYODPH-LJQANCHMSA-N 2 1 310.441 3.497 10 0 DGAEMP CC1(C)COC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000313157478 434123113 /nfs/dbraw/zinc/12/31/13/434123113.db2.gz YICIPBJLNVWMSF-IPQPSQTFSA-N 2 1 314.473 3.197 10 0 DGAEMP Cc1nccnc1[C@H](C)N[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000363866680 434169559 /nfs/dbraw/zinc/16/95/59/434169559.db2.gz QMOSNAQCEAYTKP-VDZJLULYSA-N 2 1 324.472 3.346 10 0 DGAEMP C[C@H](C[NH2+][C@@H]1CCc2sc(Br)cc21)C[NH+](C)C ZINC000383457577 434288259 /nfs/dbraw/zinc/28/82/59/434288259.db2.gz IJATTWBLVMWPLH-MWLCHTKSSA-N 2 1 317.296 3.285 10 0 DGAEMP c1cc2c(s1)CCC[C@H]2[NH2+]CCC[NH2+]Cc1cccnc1 ZINC000423194525 434278198 /nfs/dbraw/zinc/27/81/98/434278198.db2.gz YYMQHMNEZBXBKU-MRXNPFEDSA-N 2 1 301.459 3.290 10 0 DGAEMP CC[NH+]1CCC(NC[C@@]2(C)CCC[N@H+]2Cc2ccccc2)CC1 ZINC000397875418 434446097 /nfs/dbraw/zinc/44/60/97/434446097.db2.gz AAOSIIFZQUWKQW-HXUWFJFHSA-N 2 1 315.505 3.115 10 0 DGAEMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCC[C@@H]1CCOC1 ZINC000400516272 434486976 /nfs/dbraw/zinc/48/69/76/434486976.db2.gz BZTRSZSFRFCWIX-MISYRCLQSA-N 2 1 316.489 3.303 10 0 DGAEMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCC[C@@H]1CCOC1 ZINC000400516272 434486987 /nfs/dbraw/zinc/48/69/87/434486987.db2.gz BZTRSZSFRFCWIX-MISYRCLQSA-N 2 1 316.489 3.303 10 0 DGAEMP C[C@H]([NH2+]Cc1ccccc1OCc1ccccc1)[C@H]1CC[NH2+]C1 ZINC000400750547 434491180 /nfs/dbraw/zinc/49/11/80/434491180.db2.gz MTDVWQMUELMAAC-WMZOPIPTSA-N 2 1 310.441 3.353 10 0 DGAEMP c1ccc(C[N@H+]2CC[C@@H]([NH2+]CCOCC3CC3)CC23CC3)cc1 ZINC000580325319 435222999 /nfs/dbraw/zinc/22/29/99/435222999.db2.gz VSZMBKHJFYLUJM-LJQANCHMSA-N 2 1 314.473 3.200 10 0 DGAEMP c1ccc(C[N@@H+]2CC[C@@H]([NH2+]CCOCC3CC3)CC23CC3)cc1 ZINC000580325319 435223004 /nfs/dbraw/zinc/22/30/04/435223004.db2.gz VSZMBKHJFYLUJM-LJQANCHMSA-N 2 1 314.473 3.200 10 0 DGAEMP CCC[N@@H+](CC)CCN[C@@H]1CC[NH+](Cc2ccccc2)C[C@@H]1C ZINC000484472056 435545414 /nfs/dbraw/zinc/54/54/14/435545414.db2.gz JPMNKJMZXBTDQY-AZUAARDMSA-N 2 1 317.521 3.219 10 0 DGAEMP CCC[NH+](CC)CCN[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000484472056 435545419 /nfs/dbraw/zinc/54/54/19/435545419.db2.gz JPMNKJMZXBTDQY-AZUAARDMSA-N 2 1 317.521 3.219 10 0 DGAEMP CCC[NH+](CC)CCN[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000484472056 435545424 /nfs/dbraw/zinc/54/54/24/435545424.db2.gz JPMNKJMZXBTDQY-AZUAARDMSA-N 2 1 317.521 3.219 10 0 DGAEMP C[N@H+](Cc1ccccc1)CC1CC[NH+](C[C@H](O)C(C)(C)C)CC1 ZINC000551093184 435823561 /nfs/dbraw/zinc/82/35/61/435823561.db2.gz MUMOYUGKCGAUTF-IBGZPJMESA-N 2 1 318.505 3.237 10 0 DGAEMP FC(F)(F)CC[N@H+](Cc1ccccc1)CC1CC[NH2+]CC1 ZINC000261943000 303113132 /nfs/dbraw/zinc/11/31/32/303113132.db2.gz MZTRDLCLVAQDMI-UHFFFAOYSA-N 2 1 300.368 3.441 10 0 DGAEMP C[C@H](NC[C@@]1(C)CCC[N@H+]1Cc1ccccc1)[C@H]1CCC[NH2+]C1 ZINC000566091144 315311976 /nfs/dbraw/zinc/31/19/76/315311976.db2.gz STPVNNRMTKKVRZ-YSIASYRMSA-N 2 1 315.505 3.019 10 0 DGAEMP C[C@H]([NH2+]C[C@@]1(C)CCCN1Cc1ccccc1)[C@H]1CCC[NH2+]C1 ZINC000566091144 315311979 /nfs/dbraw/zinc/31/19/79/315311979.db2.gz STPVNNRMTKKVRZ-YSIASYRMSA-N 2 1 315.505 3.019 10 0 DGAEMP COc1ccccc1/C=C\C[N@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000580773802 324037551 /nfs/dbraw/zinc/03/75/51/324037551.db2.gz IEAPNRZJIGXWTL-DFVCPEPASA-N 2 1 322.452 3.383 10 0 DGAEMP C[NH2+]CCC1CC[NH+](Cc2sc(C)nc2C(F)(F)F)CC1 ZINC000262119183 521983547 /nfs/dbraw/zinc/98/35/47/521983547.db2.gz LULSGKXPTVVNAA-UHFFFAOYSA-N 2 1 321.412 3.292 10 0 DGAEMP O[C@H](C[NH2+][C@@H](c1cccs1)C1CCCC1)C[NH+]1CCCCC1 ZINC000179405339 546135775 /nfs/dbraw/zinc/13/57/75/546135775.db2.gz HAXSNAPPRPEHEY-SJLPKXTDSA-N 2 1 322.518 3.416 10 0 DGAEMP Fc1ccc(SCC[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)cc1 ZINC000252416598 546331106 /nfs/dbraw/zinc/33/11/06/546331106.db2.gz OMEZXNUIDRVPFG-WMLDXEAASA-N 2 1 308.466 3.382 10 0 DGAEMP c1c(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)onc1-c1ccccc1 ZINC000321319948 546469730 /nfs/dbraw/zinc/46/97/30/546469730.db2.gz QONBIJVXWJHUGZ-WMZOPIPTSA-N 2 1 311.429 3.306 10 0 DGAEMP c1c(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)onc1-c1ccccc1 ZINC000321319948 546469734 /nfs/dbraw/zinc/46/97/34/546469734.db2.gz QONBIJVXWJHUGZ-WMZOPIPTSA-N 2 1 311.429 3.306 10 0 DGAEMP C[C@@H]([NH2+]CC1CCC(O)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000393924539 546760062 /nfs/dbraw/zinc/76/00/62/546760062.db2.gz ZFCCNWXSWUAQDL-BXXUTWAOSA-N 2 1 316.489 3.038 10 0 DGAEMP CCCC[N@@H+](C)CC1CC[NH+](C[C@@](C)(O)c2ccccc2)CC1 ZINC000106383371 631253376 /nfs/dbraw/zinc/25/33/76/631253376.db2.gz AFBXSZJYDZCNIU-HXUWFJFHSA-N 2 1 318.505 3.338 10 0 DGAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1C[C@@H](O)c1cc(C)cc(C)c1 ZINC000178336603 656091854 /nfs/dbraw/zinc/09/18/54/656091854.db2.gz ZJOYWBTWDJLQLG-RTBURBONSA-N 2 1 313.445 3.006 10 0 DGAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1C[C@@H](O)c1cc(C)cc(C)c1 ZINC000178336603 656091857 /nfs/dbraw/zinc/09/18/57/656091857.db2.gz ZJOYWBTWDJLQLG-RTBURBONSA-N 2 1 313.445 3.006 10 0 DGAEMP CC(C)[C@@H](CCO)[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716621554 661225113 /nfs/dbraw/zinc/22/51/13/661225113.db2.gz RFSAKFAPZRNIRJ-ZGXWSNOMSA-N 2 1 316.489 3.036 10 0 DGAEMP C[C@H](CCO)CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716679213 661226775 /nfs/dbraw/zinc/22/67/75/661226775.db2.gz LTRQHJBFFGMNBJ-FFGOWVMKSA-N 2 1 316.489 3.038 10 0 DGAEMP C[C@H](CCO)CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716679215 661226819 /nfs/dbraw/zinc/22/68/19/661226819.db2.gz LTRQHJBFFGMNBJ-LEAZDLGRSA-N 2 1 316.489 3.038 10 0 DGAEMP CCC[C@H](C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2)OC ZINC000716695830 661227436 /nfs/dbraw/zinc/22/74/36/661227436.db2.gz YJRJNFMORYOOSY-ZGXWSNOMSA-N 2 1 316.489 3.444 10 0 DGAEMP c1ccc(C[N@H+]2C[C@@H]3C[C@H]2C[C@@H]([NH2+]C[C@@H]2CCC=CO2)C3)cc1 ZINC000716716215 661227742 /nfs/dbraw/zinc/22/77/42/661227742.db2.gz GGJPZBSRGDDZJB-MUGJNUQGSA-N 2 1 312.457 3.322 10 0 DGAEMP C[C@H]([NH2+]Cc1cc(Br)ccc1Cl)[C@@H]1CC[NH2+]C1 ZINC000722376655 656614404 /nfs/dbraw/zinc/61/44/04/656614404.db2.gz JAQRMWDZMDUDCN-VHSXEESVSA-N 2 1 317.658 3.190 10 0 DGAEMP COc1ccc(/C=C\C[N@@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)cc1 ZINC000229451119 659259283 /nfs/dbraw/zinc/25/92/83/659259283.db2.gz DQUIASMJFKPDSY-UABKOXTMSA-N 2 1 300.446 3.126 10 0 DGAEMP COc1ccc(/C=C\C[N@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)cc1 ZINC000229451119 659259285 /nfs/dbraw/zinc/25/92/85/659259285.db2.gz DQUIASMJFKPDSY-UABKOXTMSA-N 2 1 300.446 3.126 10 0 DGAEMP COc1ccc(/C=C\C[NH+]2CCC[C@@]3(CC[N@H+](C)C3)C2)cc1 ZINC000229451119 659259287 /nfs/dbraw/zinc/25/92/87/659259287.db2.gz DQUIASMJFKPDSY-UABKOXTMSA-N 2 1 300.446 3.126 10 0 DGAEMP COc1ccc(/C=C\C[NH+]2CCC[C@@]3(CC[N@@H+](C)C3)C2)cc1 ZINC000229451119 659259288 /nfs/dbraw/zinc/25/92/88/659259288.db2.gz DQUIASMJFKPDSY-UABKOXTMSA-N 2 1 300.446 3.126 10 0 DGAEMP CO[C@@H]1CCC[C@@H]([NH2+]C[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000380978754 685154715 /nfs/dbraw/zinc/15/47/15/685154715.db2.gz HTIMCGSMZJBRQF-AQNXPRMDSA-N 2 1 316.489 3.446 10 0 DGAEMP C[C@@H]1[C@@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CO[C@H]1C ZINC000405805841 1094436912 /nfs/dbraw/zinc/43/69/12/1094436912.db2.gz WNEPRNOMJJAEFV-FYAJOAKPSA-N 2 1 302.462 3.053 10 0 DGAEMP C[C@@H]1[C@@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CO[C@H]1C ZINC000405805841 1094436916 /nfs/dbraw/zinc/43/69/16/1094436916.db2.gz WNEPRNOMJJAEFV-FYAJOAKPSA-N 2 1 302.462 3.053 10 0 DGAEMP C[C@@H]([NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1CCCCO1 ZINC000272745556 210151671 /nfs/dbraw/zinc/15/16/71/210151671.db2.gz JANUKDQLCYSRQP-ONCXSQPRSA-N 2 1 316.489 3.444 10 0 DGAEMP CCOCc1cc(C[N@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)ccc1OC ZINC000179902299 432073726 /nfs/dbraw/zinc/07/37/26/432073726.db2.gz RUOKXHCSCJUYOA-QAPCUYQASA-N 2 1 320.477 3.146 10 0 DGAEMP CCOCc1cc(C[N@@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)ccc1OC ZINC000179902299 432073728 /nfs/dbraw/zinc/07/37/28/432073728.db2.gz RUOKXHCSCJUYOA-QAPCUYQASA-N 2 1 320.477 3.146 10 0 DGAEMP CCOCc1cc(C[NH+](C)[C@H]2CC[N@H+](C)[C@H](C)C2)ccc1OC ZINC000179902299 432073730 /nfs/dbraw/zinc/07/37/30/432073730.db2.gz RUOKXHCSCJUYOA-QAPCUYQASA-N 2 1 320.477 3.146 10 0 DGAEMP CCOCc1cc(C[NH+](C)[C@H]2CC[N@@H+](C)[C@H](C)C2)ccc1OC ZINC000179902299 432073731 /nfs/dbraw/zinc/07/37/31/432073731.db2.gz RUOKXHCSCJUYOA-QAPCUYQASA-N 2 1 320.477 3.146 10 0 DGAEMP COc1ccc(C[C@H](C)C[N@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)cc1F ZINC000186830578 200018270 /nfs/dbraw/zinc/01/82/70/200018270.db2.gz BWOFJENXPNYWSY-ZMSDIMECSA-N 2 1 322.468 3.427 10 0 DGAEMP COc1ccc(C[C@H](C)C[N@@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)cc1F ZINC000186830578 200018271 /nfs/dbraw/zinc/01/82/71/200018271.db2.gz BWOFJENXPNYWSY-ZMSDIMECSA-N 2 1 322.468 3.427 10 0 DGAEMP COc1ccc(C[C@H](C)C[NH+](C)[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1F ZINC000186830578 200018273 /nfs/dbraw/zinc/01/82/73/200018273.db2.gz BWOFJENXPNYWSY-ZMSDIMECSA-N 2 1 322.468 3.427 10 0 DGAEMP COc1ccc(C[C@H](C)C[NH+](C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1F ZINC000186830578 200018275 /nfs/dbraw/zinc/01/82/75/200018275.db2.gz BWOFJENXPNYWSY-ZMSDIMECSA-N 2 1 322.468 3.427 10 0 DGAEMP Cc1cc(C[N@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)ccc1Cl ZINC000180431390 432086681 /nfs/dbraw/zinc/08/66/81/432086681.db2.gz FEGRFBNVWWYLFR-OAHLLOKOSA-N 2 1 324.896 3.173 10 0 DGAEMP c1[nH+]c(C2CC[NH+](CC[C@H]3CCCCO3)CC2)n2c1CCCC2 ZINC000434740559 238238345 /nfs/dbraw/zinc/23/83/45/238238345.db2.gz WUMWFWLJDLITRN-GOSISDBHSA-N 2 1 317.477 3.358 10 0 DGAEMP c1cn(-c2ccc(C[N@H+]3CCOCC34CCCCC4)cc2)cn1 ZINC000449624515 240325840 /nfs/dbraw/zinc/32/58/40/240325840.db2.gz OSKLAXSGQNFTLA-UHFFFAOYSA-N 2 1 311.429 3.407 10 0 DGAEMP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2cc(C)c(OC)c(C)c2)C1 ZINC000093693129 284013840 /nfs/dbraw/zinc/01/38/40/284013840.db2.gz MRYIRKVLFKBIOV-QGZVFWFLSA-N 2 1 304.478 3.476 10 0 DGAEMP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2cc(C)c(OC)c(C)c2)C1 ZINC000093693129 284013841 /nfs/dbraw/zinc/01/38/41/284013841.db2.gz MRYIRKVLFKBIOV-QGZVFWFLSA-N 2 1 304.478 3.476 10 0 DGAEMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(C)c(OC)c(C)c2)[C@H](C)C1 ZINC000093638954 284013947 /nfs/dbraw/zinc/01/39/47/284013947.db2.gz RWNVLTVTBLEVBF-AEFFLSMTSA-N 2 1 304.478 3.474 10 0 DGAEMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(C)c(OC)c(C)c2)[C@H](C)C1 ZINC000093638954 284013949 /nfs/dbraw/zinc/01/39/49/284013949.db2.gz RWNVLTVTBLEVBF-AEFFLSMTSA-N 2 1 304.478 3.474 10 0 DGAEMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(C)c(OC)c(C)c2)[C@H](C)C1 ZINC000093638954 284013951 /nfs/dbraw/zinc/01/39/51/284013951.db2.gz RWNVLTVTBLEVBF-AEFFLSMTSA-N 2 1 304.478 3.474 10 0 DGAEMP Cc1ccc(OCCC[NH+](C)[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1C ZINC000123889081 284248117 /nfs/dbraw/zinc/24/81/17/284248117.db2.gz ZZFBPCWXSZNPEI-QZTJIDSGSA-N 2 1 304.478 3.487 10 0 DGAEMP Cc1ccc(OCCC[NH+](C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1C ZINC000123889081 284248120 /nfs/dbraw/zinc/24/81/20/284248120.db2.gz ZZFBPCWXSZNPEI-QZTJIDSGSA-N 2 1 304.478 3.487 10 0 DGAEMP Cc1ccc(OCCC[N@@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)cc1C ZINC000123889081 284248122 /nfs/dbraw/zinc/24/81/22/284248122.db2.gz ZZFBPCWXSZNPEI-QZTJIDSGSA-N 2 1 304.478 3.487 10 0 DGAEMP Cc1ccc(OCCC[N@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)cc1C ZINC000123889081 284248123 /nfs/dbraw/zinc/24/81/23/284248123.db2.gz ZZFBPCWXSZNPEI-QZTJIDSGSA-N 2 1 304.478 3.487 10 0 DGAEMP CCCOc1c(Cl)cc(C[NH2+]CCC[NH+](C)C)cc1OC ZINC000020968088 182257284 /nfs/dbraw/zinc/25/72/84/182257284.db2.gz SNLKUWUUQLMCQF-UHFFFAOYSA-N 2 1 314.857 3.179 10 0 DGAEMP CCc1[nH+]ccn1[C@H](c1ccccc1Br)[C@H](C)[NH3+] ZINC000043093913 183337025 /nfs/dbraw/zinc/33/70/25/183337025.db2.gz KOWYTJLDCSUDNZ-HZMBPMFUSA-N 2 1 308.223 3.145 10 0 DGAEMP COC[C@@H](C)C[NH2+]Cc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000249850526 285089941 /nfs/dbraw/zinc/08/99/41/285089941.db2.gz PIBNTLGZXLLCAL-IRXDYDNUSA-N 2 1 304.478 3.433 10 0 DGAEMP C[N@H+](Cc1cccc2c1OC(C)(C)C2)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000261817838 285192862 /nfs/dbraw/zinc/19/28/62/285192862.db2.gz AMIONJQOJUQONX-SJPCQFCGSA-N 2 1 300.446 3.115 10 0 DGAEMP C[N@@H+](Cc1cccc2c1OC(C)(C)C2)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000261817838 285192866 /nfs/dbraw/zinc/19/28/66/285192866.db2.gz AMIONJQOJUQONX-SJPCQFCGSA-N 2 1 300.446 3.115 10 0 DGAEMP C[NH+](C)[C@@H]1CCO[C@@]2(CC[N@@H+](Cc3ccccc3Cl)C2)C1 ZINC000503713116 257210493 /nfs/dbraw/zinc/21/04/93/257210493.db2.gz OBXXTYYJBSXFKD-WBVHZDCISA-N 2 1 308.853 3.025 10 0 DGAEMP C[NH+](C)[C@@H]1CCO[C@@]2(CC[N@@H+](Cc3cccc(Cl)c3)C2)C1 ZINC000503713292 257210519 /nfs/dbraw/zinc/21/05/19/257210519.db2.gz WWILGHLDWMESNJ-SJORKVTESA-N 2 1 308.853 3.025 10 0 DGAEMP CCOc1cccc(C[NH+]2CCC(Cc3[nH+]ccn3C)CC2)c1 ZINC000121753340 195340015 /nfs/dbraw/zinc/34/00/15/195340015.db2.gz PYJNQCGBUGMESJ-UHFFFAOYSA-N 2 1 313.445 3.274 10 0 DGAEMP Cn1ccnc1[C@@H]([NH2+]Cc1ccc(C[NH+]2CCCC2)cc1)C1CC1 ZINC000127530832 195885733 /nfs/dbraw/zinc/88/57/33/195885733.db2.gz WGNZAFQEILREEY-IBGZPJMESA-N 2 1 324.472 3.257 10 0 DGAEMP C[C@@](C[NH3+])([C@@H]1CCOC1)[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000306948745 400127745 /nfs/dbraw/zinc/12/77/45/400127745.db2.gz AAPXMHFNBYDJPZ-NHCUHLMSSA-N 2 1 324.468 3.443 10 0 DGAEMP C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)[C@@H]2CC[C@H]([NH3+])C2)cc1 ZINC000262651485 401119497 /nfs/dbraw/zinc/11/94/97/401119497.db2.gz AJRXODWUNGTWKR-OIISXLGYSA-N 2 1 315.461 3.127 10 0 DGAEMP Cc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CC[N@H+](C3CC3)C1)CCCO2 ZINC000152433577 292367968 /nfs/dbraw/zinc/36/79/68/292367968.db2.gz SVWMZNAMPJXMIT-MAUKXSAKSA-N 2 1 300.446 3.283 10 0 DGAEMP COCCC1(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)CCCCC1 ZINC000187468704 165091035 /nfs/dbraw/zinc/09/10/35/165091035.db2.gz OLQXXOILIUYQSS-MSOLQXFVSA-N 2 1 308.510 3.390 10 0 DGAEMP COCCC1(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)CCCCC1 ZINC000187468704 165091040 /nfs/dbraw/zinc/09/10/40/165091040.db2.gz OLQXXOILIUYQSS-MSOLQXFVSA-N 2 1 308.510 3.390 10 0 DGAEMP COCCC1(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C)C2)CCCCC1 ZINC000187468704 165091044 /nfs/dbraw/zinc/09/10/44/165091044.db2.gz OLQXXOILIUYQSS-MSOLQXFVSA-N 2 1 308.510 3.390 10 0 DGAEMP C[N@@H+]1C[C@@H]2C[NH+](CCCSc3ccccc3Cl)C[C@@H]2C1 ZINC000193633256 165328682 /nfs/dbraw/zinc/32/86/82/165328682.db2.gz IFLWPHBKEIVKOO-OKILXGFUSA-N 2 1 310.894 3.316 10 0 DGAEMP CCCOc1ccc(OCC[N@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)cc1 ZINC000247047332 432196571 /nfs/dbraw/zinc/19/65/71/432196571.db2.gz VQAJIJPSXINJIZ-DLBZAZTESA-N 2 1 320.477 3.269 10 0 DGAEMP CCCOc1ccc(OCC[N@@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)cc1 ZINC000247047332 432196576 /nfs/dbraw/zinc/19/65/76/432196576.db2.gz VQAJIJPSXINJIZ-DLBZAZTESA-N 2 1 320.477 3.269 10 0 DGAEMP CCCOc1ccc(OCC[NH+](C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000247047332 432196579 /nfs/dbraw/zinc/19/65/79/432196579.db2.gz VQAJIJPSXINJIZ-DLBZAZTESA-N 2 1 320.477 3.269 10 0 DGAEMP CCCOc1ccc(OCC[NH+](C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000247047332 432196584 /nfs/dbraw/zinc/19/65/84/432196584.db2.gz VQAJIJPSXINJIZ-DLBZAZTESA-N 2 1 320.477 3.269 10 0 DGAEMP COc1ccccc1CCC[N@@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000182536854 432200861 /nfs/dbraw/zinc/20/08/61/432200861.db2.gz PHFLJMYQJFGQTC-SFHVURJKSA-N 2 1 313.445 3.297 10 0 DGAEMP COc1ccccc1CCC[N@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000182536854 432200863 /nfs/dbraw/zinc/20/08/63/432200863.db2.gz PHFLJMYQJFGQTC-SFHVURJKSA-N 2 1 313.445 3.297 10 0 DGAEMP COc1ccc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000247297241 432219842 /nfs/dbraw/zinc/21/98/42/432219842.db2.gz ZLPZRSAMGZCTCI-LPHOPBHVSA-N 2 1 300.446 3.144 10 0 DGAEMP COc1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000247297241 432219844 /nfs/dbraw/zinc/21/98/44/432219844.db2.gz ZLPZRSAMGZCTCI-LPHOPBHVSA-N 2 1 300.446 3.144 10 0 DGAEMP COc1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000247297241 432219849 /nfs/dbraw/zinc/21/98/49/432219849.db2.gz ZLPZRSAMGZCTCI-LPHOPBHVSA-N 2 1 300.446 3.144 10 0 DGAEMP c1ccc2c(c1)nc(CN[C@H]1CC[N@H+]3CCC[C@@H]3C1)n2C1CC1 ZINC000355503441 266096151 /nfs/dbraw/zinc/09/61/51/266096151.db2.gz AYPYUKQOBFYXNY-GOEBONIOSA-N 2 1 310.445 3.088 10 0 DGAEMP [NH3+]CC[C@H]1CCC[N@@H+](CCOc2c(Cl)cccc2Cl)C1 ZINC000070170571 431243165 /nfs/dbraw/zinc/24/31/65/431243165.db2.gz SJSNYEVLMKHUCX-GFCCVEGCSA-N 2 1 317.260 3.433 10 0 DGAEMP CCn1ccnc1C[N@H+]1CC[C@H](C2CC[NH+](CC(C)C)CC2)C1 ZINC000012299537 431500510 /nfs/dbraw/zinc/50/05/10/431500510.db2.gz MBTKBTHYINNRHW-SFHVURJKSA-N 2 1 318.509 3.093 10 0 DGAEMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](CCC[NH+]2CCCC2)CC1 ZINC000119444048 431692875 /nfs/dbraw/zinc/69/28/75/431692875.db2.gz ZIWHIZOSDZOWRY-IBGZPJMESA-N 2 1 321.553 3.449 10 0 DGAEMP C[C@H]1CCCC[N@@H+]1CCC1CCN(CCC[NH+]2CCCC2)CC1 ZINC000119444048 431692880 /nfs/dbraw/zinc/69/28/80/431692880.db2.gz ZIWHIZOSDZOWRY-IBGZPJMESA-N 2 1 321.553 3.449 10 0 DGAEMP C[C@H]1CCCC[N@H+]1CCC1CCN(CCC[NH+]2CCCC2)CC1 ZINC000119444048 431692887 /nfs/dbraw/zinc/69/28/87/431692887.db2.gz ZIWHIZOSDZOWRY-IBGZPJMESA-N 2 1 321.553 3.449 10 0 DGAEMP C/C(=C\c1ccccc1)C[N@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000121125111 431747078 /nfs/dbraw/zinc/74/70/78/431747078.db2.gz HMZNMNLXVZHJAT-VJSYINPZSA-N 2 1 316.489 3.115 10 0 DGAEMP C/C(=C\c1ccccc1)C[N@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000121124978 431748071 /nfs/dbraw/zinc/74/80/71/431748071.db2.gz HMZNMNLXVZHJAT-KJCUYJGMSA-N 2 1 316.489 3.115 10 0 DGAEMP C[N@@H+](CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1)C1CCCC1 ZINC000121183954 431751642 /nfs/dbraw/zinc/75/16/42/431751642.db2.gz RSYNASOXWLDXJC-HXUWFJFHSA-N 2 1 316.489 3.306 10 0 DGAEMP CCc1[nH+]ccn1[C@@H]1CCCN(Cc2nc3ccccc3[nH]2)C1 ZINC000122925988 431848862 /nfs/dbraw/zinc/84/88/62/431848862.db2.gz PLTBHYMHZXIVDD-CQSZACIVSA-N 2 1 309.417 3.159 10 0 DGAEMP CC(C)c1cccc(NC(=O)CN(C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000123318797 431861715 /nfs/dbraw/zinc/86/17/15/431861715.db2.gz BYELZIVVEDMYKO-YJBOKZPZSA-N 2 1 317.477 3.163 10 0 DGAEMP C[C@H]1C[C@H]([N@@H+](C)CCCOCCc2ccccc2)CCN1C ZINC000123643210 431870321 /nfs/dbraw/zinc/87/03/21/431870321.db2.gz SLDANLNCGWOLPM-PKOBYXMFSA-N 2 1 304.478 3.050 10 0 DGAEMP C[C@H]1C[C@H]([NH+](C)CCCOCCc2ccccc2)CC[N@@H+]1C ZINC000123643210 431870323 /nfs/dbraw/zinc/87/03/23/431870323.db2.gz SLDANLNCGWOLPM-PKOBYXMFSA-N 2 1 304.478 3.050 10 0 DGAEMP C[C@H]1C[C@H]([NH+](C)CCCOCCc2ccccc2)CC[N@H+]1C ZINC000123643210 431870324 /nfs/dbraw/zinc/87/03/24/431870324.db2.gz SLDANLNCGWOLPM-PKOBYXMFSA-N 2 1 304.478 3.050 10 0 DGAEMP C[C@H]1C[C@H]([N@H+](C)CCCOCCc2ccccc2)CC[NH+]1C ZINC000123643210 431870327 /nfs/dbraw/zinc/87/03/27/431870327.db2.gz SLDANLNCGWOLPM-PKOBYXMFSA-N 2 1 304.478 3.050 10 0 DGAEMP C[C@H]1C[C@H]([N@@H+](C)CCCOCCc2ccccc2)CC[NH+]1C ZINC000123643210 431870328 /nfs/dbraw/zinc/87/03/28/431870328.db2.gz SLDANLNCGWOLPM-PKOBYXMFSA-N 2 1 304.478 3.050 10 0 DGAEMP COc1ccccc1C[C@H]1CCC[N@H+]1CC[C@@H]1CCC[NH+]1C ZINC000125039832 431911857 /nfs/dbraw/zinc/91/18/57/431911857.db2.gz CMZMLLFRUTXASK-ZWKOTPCHSA-N 2 1 302.462 3.186 10 0 DGAEMP COc1ccccc1C[C@H]1CCC[NH+]1CC[C@@H]1CCC[N@@H+]1C ZINC000125039832 431911859 /nfs/dbraw/zinc/91/18/59/431911859.db2.gz CMZMLLFRUTXASK-ZWKOTPCHSA-N 2 1 302.462 3.186 10 0 DGAEMP CCOC(C[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1)OCC ZINC000125509020 431928257 /nfs/dbraw/zinc/92/82/57/431928257.db2.gz CGLWNUBFRIJWEM-CQSZACIVSA-N 2 1 317.433 3.230 10 0 DGAEMP CC[C@H]1CN(c2ccccc2)CC[N@H+]1CC[C@H]1CCC[NH+]1C ZINC000248388531 432283697 /nfs/dbraw/zinc/28/36/97/432283697.db2.gz DYZZAXQOQNRCHW-ZWKOTPCHSA-N 2 1 301.478 3.072 10 0 DGAEMP CC[C@H]1CN(c2ccccc2)CC[NH+]1CC[C@H]1CCC[N@@H+]1C ZINC000248388531 432283702 /nfs/dbraw/zinc/28/37/02/432283702.db2.gz DYZZAXQOQNRCHW-ZWKOTPCHSA-N 2 1 301.478 3.072 10 0 DGAEMP CC[C@H]1CN(c2ccccc2)CC[NH+]1CC[C@H]1CCC[N@H+]1C ZINC000248388531 432283705 /nfs/dbraw/zinc/28/37/05/432283705.db2.gz DYZZAXQOQNRCHW-ZWKOTPCHSA-N 2 1 301.478 3.072 10 0 DGAEMP COCCCC[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000248411126 432287696 /nfs/dbraw/zinc/28/76/96/432287696.db2.gz YUYSEYXBLSPWLR-VAMGGRTRSA-N 2 1 316.489 3.303 10 0 DGAEMP CCc1nccn1[C@H]1CCC[N@H+](Cc2ccncc2Cl)C1 ZINC000173698994 432294843 /nfs/dbraw/zinc/29/48/43/432294843.db2.gz PWJOTIHOCZHBKS-AWEZNQCLSA-N 2 1 304.825 3.331 10 0 DGAEMP Cc1nccn1-c1ccc([C@H](C)[NH2+]CC[C@H]2CCC[N@H+]2C)cc1 ZINC000183678972 432316487 /nfs/dbraw/zinc/31/64/87/432316487.db2.gz IYMJLZGOHQDDRU-MAUKXSAKSA-N 3 1 312.461 3.316 10 0 DGAEMP Cc1cccc(NC[C@H]2CC[N@H+](C[C@@H](O)CC3CCCC3)C2)[nH+]1 ZINC000248873121 432325419 /nfs/dbraw/zinc/32/54/19/432325419.db2.gz DPXVSAYXTFZRPF-MSOLQXFVSA-N 2 1 317.477 3.065 10 0 DGAEMP Cc1cccc(NC[C@H]2CC[N@@H+](C[C@@H](O)CC3CCCC3)C2)[nH+]1 ZINC000248873121 432325421 /nfs/dbraw/zinc/32/54/21/432325421.db2.gz DPXVSAYXTFZRPF-MSOLQXFVSA-N 2 1 317.477 3.065 10 0 DGAEMP C[C@H]1COCC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000249247818 432342606 /nfs/dbraw/zinc/34/26/06/432342606.db2.gz FLAMNLOQPLOLDL-QFMLELGNSA-N 2 1 314.473 3.197 10 0 DGAEMP C[C@@H]1COCC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000249247815 432342706 /nfs/dbraw/zinc/34/27/06/432342706.db2.gz FLAMNLOQPLOLDL-PANBIXPWSA-N 2 1 314.473 3.197 10 0 DGAEMP C[N@H+]1CCC[C@@H]2C[NH+](CCCOc3ccc(F)cc3)CC[C@H]21 ZINC000252696293 432386083 /nfs/dbraw/zinc/38/60/83/432386083.db2.gz XQNAFDITASVHKZ-CRAIPNDOSA-N 2 1 306.425 3.011 10 0 DGAEMP C[NH+]1CCC[C@@H]2C[N@H+](CCCOc3ccc(F)cc3)CC[C@H]21 ZINC000252696293 432386089 /nfs/dbraw/zinc/38/60/89/432386089.db2.gz XQNAFDITASVHKZ-CRAIPNDOSA-N 2 1 306.425 3.011 10 0 DGAEMP C[NH+]1CCC[C@@H]2C[N@@H+](CCCOc3ccc(F)cc3)CC[C@H]21 ZINC000252696293 432386094 /nfs/dbraw/zinc/38/60/94/432386094.db2.gz XQNAFDITASVHKZ-CRAIPNDOSA-N 2 1 306.425 3.011 10 0 DGAEMP COCC[N@@H+](C)CCC[NH2+][C@@H]1CCCOc2cc(C)c(C)cc21 ZINC000153761222 432440557 /nfs/dbraw/zinc/44/05/57/432440557.db2.gz GBVNDZWGQSPVMY-GOSISDBHSA-N 2 1 320.477 3.075 10 0 DGAEMP COc1cccc([C@@H](C)[N@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)c1 ZINC000261773841 432448394 /nfs/dbraw/zinc/44/83/94/432448394.db2.gz OZDGNMHFLUJPJV-ZTNFWEORSA-N 2 1 310.441 3.431 10 0 DGAEMP FC(F)(F)CC[N@@H+](Cc1ccccc1)C[C@H]1CCC[NH2+]C1 ZINC000261807550 432452621 /nfs/dbraw/zinc/45/26/21/432452621.db2.gz HKVGDQUGHCTPOX-HNNXBMFYSA-N 2 1 300.368 3.441 10 0 DGAEMP FC(F)(F)CC[N@H+](Cc1ccccc1)C[C@H]1CCC[NH2+]C1 ZINC000261807550 432452627 /nfs/dbraw/zinc/45/26/27/432452627.db2.gz HKVGDQUGHCTPOX-HNNXBMFYSA-N 2 1 300.368 3.441 10 0 DGAEMP Cc1cccc(C(C)(C)C[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)c1 ZINC000262005663 432467922 /nfs/dbraw/zinc/46/79/22/432467922.db2.gz UZZGLSLMTPFSND-QRVBRYPASA-N 2 1 316.489 3.019 10 0 DGAEMP c1ccc2cc(C[NH2+][C@@H]3CCC[C@@H]3[C@H]3COCC[NH2+]3)ccc2c1 ZINC000261995607 432467989 /nfs/dbraw/zinc/46/79/89/432467989.db2.gz UAOSPGKHRKNMHH-XUVXKRRUSA-N 2 1 310.441 3.087 10 0 DGAEMP C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)c1ccc2ccccc2c1 ZINC000177244710 432602217 /nfs/dbraw/zinc/60/22/17/432602217.db2.gz TTYZOIHEVRMBSV-OXJNMPFZSA-N 2 1 312.457 3.337 10 0 DGAEMP CCCc1cccc(C[N@@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)c1 ZINC000186942587 432637539 /nfs/dbraw/zinc/63/75/39/432637539.db2.gz YCAWTZLGUBNNEC-KRWDZBQOSA-N 2 1 318.505 3.164 10 0 DGAEMP C[C@@H]1C[C@@H](N(C)Cc2ncc(-c3cccc(F)c3)o2)CC[N@H+]1C ZINC000177688422 432651556 /nfs/dbraw/zinc/65/15/56/432651556.db2.gz YXCBOSXQZCBZFU-CJNGLKHVSA-N 2 1 317.408 3.395 10 0 DGAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CCOc1c(C)cccc1C ZINC000178327154 432722345 /nfs/dbraw/zinc/72/23/45/432722345.db2.gz HRHZKCBUGSTVEB-GOSISDBHSA-N 2 1 313.445 3.352 10 0 DGAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1CCOc1c(C)cccc1C ZINC000178327154 432722346 /nfs/dbraw/zinc/72/23/46/432722346.db2.gz HRHZKCBUGSTVEB-GOSISDBHSA-N 2 1 313.445 3.352 10 0 DGAEMP [NH3+][C@@H]1CCC[C@@H]2CN(c3cc[nH+]c4cc(Cl)ccc43)C[C@@H]21 ZINC000230133956 432724766 /nfs/dbraw/zinc/72/47/66/432724766.db2.gz LQBWOEAAAHEFCO-BYCMXARLSA-N 2 1 301.821 3.452 10 0 DGAEMP Cc1nccnc1[C@H](C)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000275943343 432761099 /nfs/dbraw/zinc/76/10/99/432761099.db2.gz ZIEANYBPSCKDGS-IEZWGBDMSA-N 2 1 324.472 3.346 10 0 DGAEMP Cc1nccnc1[C@H](C)[NH2+][C@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000275943343 432761103 /nfs/dbraw/zinc/76/11/03/432761103.db2.gz ZIEANYBPSCKDGS-IEZWGBDMSA-N 2 1 324.472 3.346 10 0 DGAEMP Cc1ccc(OC2CC[NH+](CCC[NH+]3CCCCC3)CC2)nc1 ZINC000162234280 432817760 /nfs/dbraw/zinc/81/77/60/432817760.db2.gz NHUASKHWNBORQO-UHFFFAOYSA-N 2 1 317.477 3.109 10 0 DGAEMP CC[N@@H+](C)C[C@H]1CCN([C@H](C)c2nnc(-c3ccccc3)o2)C1 ZINC000245460465 432834566 /nfs/dbraw/zinc/83/45/66/432834566.db2.gz VUGXKIYRTGKJGD-HUUCEWRRSA-N 2 1 314.433 3.071 10 0 DGAEMP O[C@@H](C[C@H]1CCC[N@H+]1CCC[NH+]1CCCC1)c1cccs1 ZINC000163230809 432846407 /nfs/dbraw/zinc/84/64/07/432846407.db2.gz PRDWFIOOGYPJRX-CVEARBPZSA-N 2 1 308.491 3.122 10 0 DGAEMP Cc1[nH+]ccn1CCCC[N@H+]1C[C@@H](c2ccccc2)OC[C@H]1C ZINC000245585037 432847604 /nfs/dbraw/zinc/84/76/04/432847604.db2.gz DRNVPDGWFIRAMF-APWZRJJASA-N 2 1 313.445 3.434 10 0 DGAEMP Cc1[nH+]ccn1CCCC[N@@H+]1C[C@@H](c2ccccc2)OC[C@H]1C ZINC000245585037 432847608 /nfs/dbraw/zinc/84/76/08/432847608.db2.gz DRNVPDGWFIRAMF-APWZRJJASA-N 2 1 313.445 3.434 10 0 DGAEMP c1ccc2c(c1)cccc2OCC[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420374844 433189598 /nfs/dbraw/zinc/18/95/98/433189598.db2.gz NYHRUIXPOLVXPF-HXUWFJFHSA-N 2 1 310.441 3.294 10 0 DGAEMP c1cn(-c2csc(C[N@@H+]3CCOC[C@@H]3CC3CCC3)c2)cn1 ZINC000354733331 433243488 /nfs/dbraw/zinc/24/34/88/433243488.db2.gz PJNGLFKNPMWMHL-HNNXBMFYSA-N 2 1 317.458 3.325 10 0 DGAEMP c1cn(-c2csc(CN3CCOC[C@@H]3CC3CCC3)c2)cn1 ZINC000354733331 433243495 /nfs/dbraw/zinc/24/34/95/433243495.db2.gz PJNGLFKNPMWMHL-HNNXBMFYSA-N 2 1 317.458 3.325 10 0 DGAEMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)[C@@H]2CCCc3ccccc32)CC1 ZINC000170941740 290084956 /nfs/dbraw/zinc/08/49/56/290084956.db2.gz ZXHVHTGOCHZMGT-OXJNMPFZSA-N 2 1 316.489 3.089 10 0 DGAEMP Cc1cc(CC[NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)on1 ZINC000376068047 433654854 /nfs/dbraw/zinc/65/48/54/433654854.db2.gz OEGRVAJTFVUQLM-FUHWJXTLSA-N 2 1 313.445 3.026 10 0 DGAEMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCCOC(F)F ZINC000367181547 293034866 /nfs/dbraw/zinc/03/48/66/293034866.db2.gz YUWKRQOYCINBCI-HOCLYGCPSA-N 2 1 312.404 3.116 10 0 DGAEMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCCOC(F)F ZINC000367181547 293034870 /nfs/dbraw/zinc/03/48/70/293034870.db2.gz YUWKRQOYCINBCI-HOCLYGCPSA-N 2 1 312.404 3.116 10 0 DGAEMP C[C@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1cc(Br)ccc1Cl ZINC000414937911 433927139 /nfs/dbraw/zinc/92/71/39/433927139.db2.gz CVHUPAXRIHVFQJ-ZANVPECISA-N 2 1 317.658 3.190 10 0 DGAEMP c1ccc(C[NH+]2CCCCC2)c(CNC2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000422786224 434000319 /nfs/dbraw/zinc/00/03/19/434000319.db2.gz KKNHFJGSGDRFGD-YOFSQIOKSA-N 2 1 313.489 3.045 10 0 DGAEMP CC(C)(C)[C@@H](O)C[NH2+]C[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000310020183 434107435 /nfs/dbraw/zinc/10/74/35/434107435.db2.gz RCGMBUOICCCLGN-MOPGFXCFSA-N 2 1 318.505 3.285 10 0 DGAEMP Cc1cccnc1CC[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000295068211 434176272 /nfs/dbraw/zinc/17/62/72/434176272.db2.gz QUVMALBYGHDKTJ-QUCCMNQESA-N 2 1 323.484 3.433 10 0 DGAEMP O[C@H](C[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1)CC1CCCC1 ZINC000381763091 434275706 /nfs/dbraw/zinc/27/57/06/434275706.db2.gz LRJMPXPEKSDVNC-UXHICEINSA-N 2 1 316.489 3.039 10 0 DGAEMP c1ccc(OC2CCC2)c(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000358042106 434302334 /nfs/dbraw/zinc/30/23/34/434302334.db2.gz FBLXPYVCSMVUGG-SJORKVTESA-N 2 1 300.446 3.334 10 0 DGAEMP c1ccc(OC2CCC2)c(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000358042106 434302342 /nfs/dbraw/zinc/30/23/42/434302342.db2.gz FBLXPYVCSMVUGG-SJORKVTESA-N 2 1 300.446 3.334 10 0 DGAEMP CC[C@H](O)CCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000358169476 434361694 /nfs/dbraw/zinc/36/16/94/434361694.db2.gz PEUOMEZDPMTQGE-YTQUADARSA-N 2 1 304.478 3.038 10 0 DGAEMP CC[C@H](O)CCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000358169476 434361706 /nfs/dbraw/zinc/36/17/06/434361706.db2.gz PEUOMEZDPMTQGE-YTQUADARSA-N 2 1 304.478 3.038 10 0 DGAEMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)[C@@H](C)O1 ZINC000295389206 434339435 /nfs/dbraw/zinc/33/94/35/434339435.db2.gz LBUHMYHLHNYRTE-SGFSRKTBSA-N 2 1 302.462 3.053 10 0 DGAEMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)[C@@H](C)O1 ZINC000295389206 434339445 /nfs/dbraw/zinc/33/94/45/434339445.db2.gz LBUHMYHLHNYRTE-SGFSRKTBSA-N 2 1 302.462 3.053 10 0 DGAEMP c1ccc(C[N@H+]2CC[C@H]([NH2+][C@@H]3CCCOC3)[C@H]3CCC[C@@H]32)cc1 ZINC000453104484 434802340 /nfs/dbraw/zinc/80/23/40/434802340.db2.gz UENOBBSDHPLOOV-ZRNYENFQSA-N 2 1 314.473 3.198 10 0 DGAEMP c1cc(C[NH+]2CCCCC2)cc(C[N@@H+]2CCO[C@H](C3CC3)C2)c1 ZINC000411566160 434804314 /nfs/dbraw/zinc/80/43/14/434804314.db2.gz WJYXSUQMLRXLNJ-FQEVSTJZSA-N 2 1 314.473 3.283 10 0 DGAEMP c1cc(C[NH+]2CCCCC2)cc(C[N@H+]2CCO[C@H](C3CC3)C2)c1 ZINC000411566160 434804318 /nfs/dbraw/zinc/80/43/18/434804318.db2.gz WJYXSUQMLRXLNJ-FQEVSTJZSA-N 2 1 314.473 3.283 10 0 DGAEMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+]CC2=CCOCC2)C3)cc1 ZINC000453284410 434849496 /nfs/dbraw/zinc/84/94/96/434849496.db2.gz INBJYKLSHODIAD-ACDBMABISA-N 2 1 312.457 3.118 10 0 DGAEMP C[C@H](NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1)[C@H]1CCC[NH2+]C1 ZINC000573234873 434884038 /nfs/dbraw/zinc/88/40/38/434884038.db2.gz LAUFLYHPFDBGMG-IHPCNDPISA-N 2 1 315.505 3.019 10 0 DGAEMP C[C@H](NC[C@@H]1CCCC[N@H+]1Cc1ccccc1)[C@H]1CCC[NH2+]C1 ZINC000573234873 434884041 /nfs/dbraw/zinc/88/40/41/434884041.db2.gz LAUFLYHPFDBGMG-IHPCNDPISA-N 2 1 315.505 3.019 10 0 DGAEMP c1ccc([C@H](C[C@@H]2CCOC2)[NH2+][C@H]2CC[NH2+]C23CCC3)cc1 ZINC000530222793 313342544 /nfs/dbraw/zinc/34/25/44/313342544.db2.gz RQQKYVTUCRAZRX-SZMVWBNQSA-N 2 1 300.446 3.029 10 0 DGAEMP CC1=CC[N@@H+](CCNC2CC[NH+]([C@@H]3CCC[C@@H](C)C3)CC2)CC1 ZINC000545864722 314271297 /nfs/dbraw/zinc/27/12/97/314271297.db2.gz JBDIOILRHBVILK-UYAOXDASSA-N 2 1 319.537 3.271 10 0 DGAEMP CC1=CCN(CC[NH2+]C2CC[NH+]([C@@H]3CCC[C@@H](C)C3)CC2)CC1 ZINC000545864722 314271299 /nfs/dbraw/zinc/27/12/99/314271299.db2.gz JBDIOILRHBVILK-UYAOXDASSA-N 2 1 319.537 3.271 10 0 DGAEMP c1csc(C2([NH2+]Cc3ccc4c(c3)C[NH2+]CC4)CCCC2)n1 ZINC000572008006 315760637 /nfs/dbraw/zinc/76/06/37/315760637.db2.gz PSRZSFDCCDNBKL-UHFFFAOYSA-N 2 1 313.470 3.348 10 0 DGAEMP c1ccc(C[N@H+]2CC[C@H]([NH2+]CC3CCOCC3)CC23CC3)cc1 ZINC000580647216 324021727 /nfs/dbraw/zinc/02/17/27/324021727.db2.gz UPPGVRIQWIIGKL-IBGZPJMESA-N 2 1 314.473 3.200 10 0 DGAEMP c1ccc(C[N@@H+]2CC[C@H]([NH2+]CC3CCOCC3)CC23CC3)cc1 ZINC000580647216 324021730 /nfs/dbraw/zinc/02/17/30/324021730.db2.gz UPPGVRIQWIIGKL-IBGZPJMESA-N 2 1 314.473 3.200 10 0 DGAEMP c1ccc2c(c1)CC[C@@H](C[N@H+]1CC[C@@H](Oc3ccncc3)C1)C2 ZINC000584487626 337349753 /nfs/dbraw/zinc/34/97/53/337349753.db2.gz MBOSBZIJNHUKLX-OXQOHEQNSA-N 2 1 308.425 3.340 10 0 DGAEMP C[C@@H]1C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)[C@@H](C)O1 ZINC000295004606 533942410 /nfs/dbraw/zinc/94/24/10/533942410.db2.gz IKYSXQVSGFJRSI-HQXSIMGVSA-N 2 1 314.473 3.338 10 0 DGAEMP CCn1nccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000119166946 545877096 /nfs/dbraw/zinc/87/70/96/545877096.db2.gz VVROVFKWUGUVEE-YQQQUEKLSA-N 2 1 324.472 3.188 10 0 DGAEMP CCn1nccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000119166946 545877102 /nfs/dbraw/zinc/87/71/02/545877102.db2.gz VVROVFKWUGUVEE-YQQQUEKLSA-N 2 1 324.472 3.188 10 0 DGAEMP Cc1nccn1C[C@@H]1CCC[N@H+]1Cc1cccc2cnccc21 ZINC000183388207 546175049 /nfs/dbraw/zinc/17/50/49/546175049.db2.gz MPBPFSAVEDDRBK-SFHVURJKSA-N 2 1 306.413 3.404 10 0 DGAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1cccc2cnccc21 ZINC000183388207 546175053 /nfs/dbraw/zinc/17/50/53/546175053.db2.gz MPBPFSAVEDDRBK-SFHVURJKSA-N 2 1 306.413 3.404 10 0 DGAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1cccc2cnccc21 ZINC000183388207 546175058 /nfs/dbraw/zinc/17/50/58/546175058.db2.gz MPBPFSAVEDDRBK-SFHVURJKSA-N 2 1 306.413 3.404 10 0 DGAEMP C[C@@H]1C[C@@H]([NH2+]CC[C@@H]2CCCO2)CC[N@@H+]1Cc1ccccc1 ZINC000379656822 546735586 /nfs/dbraw/zinc/73/55/86/546735586.db2.gz QPXQOSUUPRUHHR-NEWSRXKRSA-N 2 1 302.462 3.198 10 0 DGAEMP C[C@@H]1C[C@@H]([NH2+]CC[C@@H]2CCCO2)CC[N@H+]1Cc1ccccc1 ZINC000379656822 546735590 /nfs/dbraw/zinc/73/55/90/546735590.db2.gz QPXQOSUUPRUHHR-NEWSRXKRSA-N 2 1 302.462 3.198 10 0 DGAEMP c1ccc(C[N@H+]2C[C@H]3C[C@@H](C2)C3[NH2+]CCOC2CCCC2)cc1 ZINC000671104349 547769494 /nfs/dbraw/zinc/76/94/94/547769494.db2.gz UIJHLEMJRHBKKR-UFRUDQCGSA-N 2 1 314.473 3.056 10 0 DGAEMP c1ccc(C[N@@H+]2C[C@H]3C[C@@H](C2)C3[NH2+]CCOC2CCCC2)cc1 ZINC000671104349 547769497 /nfs/dbraw/zinc/76/94/97/547769497.db2.gz UIJHLEMJRHBKKR-UFRUDQCGSA-N 2 1 314.473 3.056 10 0 DGAEMP C[C@@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)[C@H]1CCCCO1 ZINC000393601706 575904597 /nfs/dbraw/zinc/90/45/97/575904597.db2.gz UNEDRMPXMJHGFD-VQIMIIECSA-N 2 1 302.462 3.198 10 0 DGAEMP CC(C)CC[N@@H+](C)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000106127492 631208355 /nfs/dbraw/zinc/20/83/55/631208355.db2.gz OJHDJUJMNAVEBC-FQEVSTJZSA-N 2 1 318.505 3.410 10 0 DGAEMP C[C@@]1(C[NH2+]C2CCC(C)(O)CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000703011900 660755075 /nfs/dbraw/zinc/75/50/75/660755075.db2.gz TWPPSOHKSCUMKN-GPJFCIFZSA-N 2 1 316.489 3.182 10 0 DGAEMP C[C@H]([NH2+]C[C@@H]1CC(C)(C)CO1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000708407155 660920825 /nfs/dbraw/zinc/92/08/25/660920825.db2.gz XNXNPRIOZNNAJY-UHOSZYNNSA-N 2 1 316.489 3.302 10 0 DGAEMP C[C@H]([NH2+]C[C@H]1CC(C)(C)CO1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000708407154 660920883 /nfs/dbraw/zinc/92/08/83/660920883.db2.gz XNXNPRIOZNNAJY-QXAKKESOSA-N 2 1 316.489 3.302 10 0 DGAEMP CO[C@H]1C[C@@H](C[NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)C1 ZINC000716623649 661225229 /nfs/dbraw/zinc/22/52/29/661225229.db2.gz BWJXZJNBEYEDSF-VYJAJWGXSA-N 2 1 314.473 3.054 10 0 DGAEMP CS[C@H](C)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716625111 661225259 /nfs/dbraw/zinc/22/52/59/661225259.db2.gz LQKXOSOUPHKSBY-UBDQQSCGSA-N 2 1 304.503 3.381 10 0 DGAEMP CC1(C)C[C@@H]([NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)CO1 ZINC000716672112 661226194 /nfs/dbraw/zinc/22/61/94/661226194.db2.gz SVUNJPORNQMALJ-MANSERQUSA-N 2 1 314.473 3.197 10 0 DGAEMP C[C@]1(C[NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)CCOC1 ZINC000716682205 661227587 /nfs/dbraw/zinc/22/75/87/661227587.db2.gz NXUNVYDNFNBCAA-ZGXWSNOMSA-N 2 1 314.473 3.056 10 0 DGAEMP CC[C@H]([NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2)C(C)(C)O ZINC000716703078 661227638 /nfs/dbraw/zinc/22/76/38/661227638.db2.gz WZKVZLKBSLBGQJ-VJANTYMQSA-N 2 1 316.489 3.179 10 0 DGAEMP CC(C)(C)[C@H](O)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716712044 661227695 /nfs/dbraw/zinc/22/76/95/661227695.db2.gz KJEABTJIXPIWLS-ZSYWTGECSA-N 2 1 316.489 3.036 10 0 DGAEMP c1ccc(C[N@H+]2C[C@@H]3C[C@H]2C[C@H]([NH2+]C[C@H]2CCC=CO2)C3)cc1 ZINC000716716221 661227746 /nfs/dbraw/zinc/22/77/46/661227746.db2.gz GGJPZBSRGDDZJB-ZGXWSNOMSA-N 2 1 312.457 3.322 10 0 DGAEMP CC(C)(C)[C@@H](O)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716712043 661227786 /nfs/dbraw/zinc/22/77/86/661227786.db2.gz KJEABTJIXPIWLS-VJANTYMQSA-N 2 1 316.489 3.036 10 0 DGAEMP COC1(C[NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)CCC1 ZINC000716730490 661228211 /nfs/dbraw/zinc/22/82/11/661228211.db2.gz XEBISAJKUVSWPS-OTWHNJEPSA-N 2 1 314.473 3.198 10 0 DGAEMP CC(C)[C@@](C)(C[NH3+])[NH2+]Cc1ccc(Br)c(F)c1 ZINC000261542988 656906817 /nfs/dbraw/zinc/90/68/17/656906817.db2.gz CNVBCXGCPQGUDT-CYBMUJFWSA-N 2 1 303.219 3.051 10 0 DGAEMP C[C@@H]1C[C@@H]([NH2+]CCc2ccns2)CC[N@H+]1Cc1ccccc1 ZINC000719847145 662298106 /nfs/dbraw/zinc/29/81/06/662298106.db2.gz AWVFGFULLHRREQ-WBVHZDCISA-N 2 1 315.486 3.328 10 0 DGAEMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCc1ccns1 ZINC000719908523 662299457 /nfs/dbraw/zinc/29/94/57/662299457.db2.gz QROLCGLRXNEEEZ-YJBOKZPZSA-N 2 1 315.486 3.186 10 0 DGAEMP CO[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000379654776 685148899 /nfs/dbraw/zinc/14/88/99/685148899.db2.gz JPIKEASACYKFMY-OQIJWPOYSA-N 2 1 302.462 3.197 10 0 DGAEMP CO[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000379654776 685148903 /nfs/dbraw/zinc/14/89/03/685148903.db2.gz JPIKEASACYKFMY-OQIJWPOYSA-N 2 1 302.462 3.197 10 0 DGAEMP COc1c(C)cc(C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2C)cc1C ZINC000180124972 432078877 /nfs/dbraw/zinc/07/88/77/432078877.db2.gz AZEUFRPTQHZTOQ-SFHVURJKSA-N 2 1 313.445 3.482 10 0 DGAEMP COc1c(C)cc(C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2C)cc1C ZINC000180124972 432078879 /nfs/dbraw/zinc/07/88/79/432078879.db2.gz AZEUFRPTQHZTOQ-SFHVURJKSA-N 2 1 313.445 3.482 10 0 DGAEMP c1cc(OCC2CC2)ccc1C[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000415033297 237022081 /nfs/dbraw/zinc/02/20/81/237022081.db2.gz BMAFCCARQFUBQX-QUCCMNQESA-N 2 1 314.473 3.439 10 0 DGAEMP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2cc(C)c(OC)c(C)c2)C1 ZINC000093693128 284013943 /nfs/dbraw/zinc/01/39/43/284013943.db2.gz MRYIRKVLFKBIOV-KRWDZBQOSA-N 2 1 304.478 3.476 10 0 DGAEMP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2cc(C)c(OC)c(C)c2)C1 ZINC000093693128 284013945 /nfs/dbraw/zinc/01/39/45/284013945.db2.gz MRYIRKVLFKBIOV-KRWDZBQOSA-N 2 1 304.478 3.476 10 0 DGAEMP C[C@H]1C[C@@H]([NH+](C)Cc2ccc3c(c2)CC(C)(C)O3)CC[N@@H+]1C ZINC000093644206 193280832 /nfs/dbraw/zinc/28/08/32/193280832.db2.gz MTYJSYIKNXHQHZ-YOEHRIQHSA-N 2 1 302.462 3.315 10 0 DGAEMP C[C@H]1C[C@@H]([NH+](C)Cc2ccc3c(c2)CC(C)(C)O3)CC[N@H+]1C ZINC000093644206 193280834 /nfs/dbraw/zinc/28/08/34/193280834.db2.gz MTYJSYIKNXHQHZ-YOEHRIQHSA-N 2 1 302.462 3.315 10 0 DGAEMP C[C@H]1C[C@@H]([N@H+](C)Cc2ccc3c(c2)CC(C)(C)O3)CC[NH+]1C ZINC000093644206 193280835 /nfs/dbraw/zinc/28/08/35/193280835.db2.gz MTYJSYIKNXHQHZ-YOEHRIQHSA-N 2 1 302.462 3.315 10 0 DGAEMP C[C@H]1C[C@@H]([N@@H+](C)Cc2ccc3c(c2)CC(C)(C)O3)CC[NH+]1C ZINC000093644206 193280837 /nfs/dbraw/zinc/28/08/37/193280837.db2.gz MTYJSYIKNXHQHZ-YOEHRIQHSA-N 2 1 302.462 3.315 10 0 DGAEMP COCC1(C[NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CCC1 ZINC000282941722 217340877 /nfs/dbraw/zinc/34/08/77/217340877.db2.gz YWNHNIXJYFZEPV-IEBWSBKVSA-N 2 1 316.489 3.303 10 0 DGAEMP COc1ccccc1C[C@@H]1CCC[N@H+]1CC[C@H]1CCC[NH+]1C ZINC000246578813 432144922 /nfs/dbraw/zinc/14/49/22/432144922.db2.gz CMZMLLFRUTXASK-MSOLQXFVSA-N 2 1 302.462 3.186 10 0 DGAEMP COc1ccccc1C[C@@H]1CCC[NH+]1CC[C@H]1CCC[N@@H+]1C ZINC000246578813 432144926 /nfs/dbraw/zinc/14/49/26/432144926.db2.gz CMZMLLFRUTXASK-MSOLQXFVSA-N 2 1 302.462 3.186 10 0 DGAEMP COc1ccccc1C[C@@H]1CCC[NH+]1CC[C@H]1CCC[N@H+]1C ZINC000246578813 432144930 /nfs/dbraw/zinc/14/49/30/432144930.db2.gz CMZMLLFRUTXASK-MSOLQXFVSA-N 2 1 302.462 3.186 10 0 DGAEMP Cc1ccc(Cl)cc1NC(=O)CN(C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000246588700 432147050 /nfs/dbraw/zinc/14/70/50/432147050.db2.gz FTZYIOKZBZQHEX-DZGCQCFKSA-N 2 1 323.868 3.001 10 0 DGAEMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCC[C@@H]2O)CC[N@@H+]1Cc1ccccc1 ZINC000268952548 432149385 /nfs/dbraw/zinc/14/93/85/432149385.db2.gz CQCAMCVNEXCYSC-MDNKFWRPSA-N 2 1 316.489 3.180 10 0 DGAEMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCC[C@@H]2O)CC[N@H+]1Cc1ccccc1 ZINC000268952548 432149390 /nfs/dbraw/zinc/14/93/90/432149390.db2.gz CQCAMCVNEXCYSC-MDNKFWRPSA-N 2 1 316.489 3.180 10 0 DGAEMP Cc1ccc2c(CC[NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)cn(C)c2c1 ZINC000249171803 285061609 /nfs/dbraw/zinc/06/16/09/285061609.db2.gz BWYAJDOXHSTMKN-MSOLQXFVSA-N 2 1 311.473 3.246 10 0 DGAEMP COC[C@@H](C)C[NH2+]Cc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000249457095 285074905 /nfs/dbraw/zinc/07/49/05/285074905.db2.gz DQJFIFDCTUGLLS-IRXDYDNUSA-N 2 1 304.478 3.433 10 0 DGAEMP C[C@@H]([NH2+]Cc1ccns1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000404431142 400295250 /nfs/dbraw/zinc/29/52/50/400295250.db2.gz MQUBMPBCBTVNRM-ZBFHGGJFSA-N 2 1 301.459 3.143 10 0 DGAEMP C[C@@H]([NH2+]Cc1ccns1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000404431142 400295254 /nfs/dbraw/zinc/29/52/54/400295254.db2.gz MQUBMPBCBTVNRM-ZBFHGGJFSA-N 2 1 301.459 3.143 10 0 DGAEMP C[C@@H]([NH2+]Cc1ccns1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000404431139 400295932 /nfs/dbraw/zinc/29/59/32/400295932.db2.gz MQUBMPBCBTVNRM-GDBMZVCRSA-N 2 1 301.459 3.143 10 0 DGAEMP C[C@@H]([NH2+]Cc1ccns1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000404431139 400295937 /nfs/dbraw/zinc/29/59/37/400295937.db2.gz MQUBMPBCBTVNRM-GDBMZVCRSA-N 2 1 301.459 3.143 10 0 DGAEMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H]2CCCC(F)(F)C2)[C@H](C)C1 ZINC000358311882 286028293 /nfs/dbraw/zinc/02/82/93/286028293.db2.gz ZXEKFQYWBRZJPR-PMPSAXMXSA-N 2 1 318.452 3.291 10 0 DGAEMP C[C@H](N[C@@H]1CCCCC[N@@H+](Cc2ccccc2)C1)[C@H]1CC[NH2+]C1 ZINC000635019568 401405568 /nfs/dbraw/zinc/40/55/68/401405568.db2.gz IACUKVVVLVAFIN-YSIASYRMSA-N 2 1 315.505 3.019 10 0 DGAEMP C[C@H]([NH2+][C@@H]1CCCCCN(Cc2ccccc2)C1)[C@H]1CC[NH2+]C1 ZINC000635019568 401405570 /nfs/dbraw/zinc/40/55/70/401405570.db2.gz IACUKVVVLVAFIN-YSIASYRMSA-N 2 1 315.505 3.019 10 0 DGAEMP CC(=O)c1c(C)cc(C)c(C[N@@H+]2CCC[C@@H]3C[NH2+]CC[C@@H]32)c1C ZINC000631887009 401564201 /nfs/dbraw/zinc/56/42/01/401564201.db2.gz NTMCRDOUCRKNLP-MJGOQNOKSA-N 2 1 314.473 3.388 10 0 DGAEMP CC(=O)c1c(C)cc(C)c(C[N@H+]2CCC[C@@H]3C[NH2+]CC[C@@H]32)c1C ZINC000631887009 401564203 /nfs/dbraw/zinc/56/42/03/401564203.db2.gz NTMCRDOUCRKNLP-MJGOQNOKSA-N 2 1 314.473 3.388 10 0 DGAEMP C[C@@H](CC[NH2+][C@@H](C)[C@@H]1CCCCO1)[N@@H+](C)Cc1ccccc1 ZINC000623901452 401596665 /nfs/dbraw/zinc/59/66/65/401596665.db2.gz IGKDFHONETXUMY-LNLFQRSKSA-N 2 1 304.478 3.444 10 0 DGAEMP C([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)C(C1CCC1)C1CCC1 ZINC000624038294 401616588 /nfs/dbraw/zinc/61/65/88/401616588.db2.gz ANGKLSMQROCSRX-IBGZPJMESA-N 2 1 320.521 3.436 10 0 DGAEMP CCO[C@@H]1C[C@@H]([NH2+]C2CCN(c3ccc(C)c[nH+]3)CC2)C1(C)C ZINC000181804769 164920598 /nfs/dbraw/zinc/92/05/98/164920598.db2.gz LUBPCUYHLAPMTD-IAGOWNOFSA-N 2 1 317.477 3.152 10 0 DGAEMP c1ccc(CSCC[NH+]2CCC([NH+]3CCCC3)CC2)cc1 ZINC000192545956 165296394 /nfs/dbraw/zinc/29/63/94/165296394.db2.gz MRWKGUPZNXPDKO-UHFFFAOYSA-N 2 1 304.503 3.480 10 0 DGAEMP Cc1nc(C(F)(F)F)c(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)s1 ZINC000262122045 165787696 /nfs/dbraw/zinc/78/76/96/165787696.db2.gz MGZKAXXMSRAVJG-DCAQKATOSA-N 2 1 319.396 3.030 10 0 DGAEMP Cc1nc(C(F)(F)F)c(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)s1 ZINC000262122045 165787698 /nfs/dbraw/zinc/78/76/98/165787698.db2.gz MGZKAXXMSRAVJG-DCAQKATOSA-N 2 1 319.396 3.030 10 0 DGAEMP COc1ccc(CC[N@H+]2CC[C@@H](CNc3ccccn3)C2)cc1 ZINC000171644997 432154741 /nfs/dbraw/zinc/15/47/41/432154741.db2.gz CZVNJYCCFKVSCV-KRWDZBQOSA-N 2 1 311.429 3.067 10 0 DGAEMP CCC[N@H+]1CC[C@H](CN[C@H]2CCCOc3ccc(OC)cc32)C1 ZINC000246856256 432173614 /nfs/dbraw/zinc/17/36/14/432173614.db2.gz CUCSAMMPHQVXPN-QAPCUYQASA-N 2 1 318.461 3.230 10 0 DGAEMP CCC[N@@H+]1CC[C@H](C[NH2+][C@H]2CCCOc3ccc(OC)cc32)C1 ZINC000246856256 432173617 /nfs/dbraw/zinc/17/36/17/432173617.db2.gz CUCSAMMPHQVXPN-QAPCUYQASA-N 2 1 318.461 3.230 10 0 DGAEMP CCC[N@H+]1CC[C@H](C[NH2+][C@H]2CCCOc3ccc(OC)cc32)C1 ZINC000246856256 432173621 /nfs/dbraw/zinc/17/36/21/432173621.db2.gz CUCSAMMPHQVXPN-QAPCUYQASA-N 2 1 318.461 3.230 10 0 DGAEMP Cc1nccn1C[C@H]1CCC[N@H+]1C[C@@H](O)c1ccc(Cl)cc1 ZINC000247030932 432194269 /nfs/dbraw/zinc/19/42/69/432194269.db2.gz MIKOGFLSIMVQRI-IAGOWNOFSA-N 2 1 319.836 3.043 10 0 DGAEMP Cc1ncccc1C[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000368058311 271127124 /nfs/dbraw/zinc/12/71/24/271127124.db2.gz HKKCWHIQBTUOKM-PXNSSMCTSA-N 2 1 309.457 3.390 10 0 DGAEMP COCCCC[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000247966188 432256181 /nfs/dbraw/zinc/25/61/81/432256181.db2.gz GUOKFMJXAYDROP-PMACEKPBSA-N 2 1 316.489 3.400 10 0 DGAEMP COCCCC[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000247966188 432256184 /nfs/dbraw/zinc/25/61/84/432256184.db2.gz GUOKFMJXAYDROP-PMACEKPBSA-N 2 1 316.489 3.400 10 0 DGAEMP COCCCC[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000247966188 432256188 /nfs/dbraw/zinc/25/61/88/432256188.db2.gz GUOKFMJXAYDROP-PMACEKPBSA-N 2 1 316.489 3.400 10 0 DGAEMP C[C@@H]1CC[C@@H]([NH2+]C[C@@H](O)C[NH+]2CCCCC2)c2ccccc21 ZINC000247124097 274312958 /nfs/dbraw/zinc/31/29/58/274312958.db2.gz RHYMDQLUDFDRFZ-GPMSIDNRSA-N 2 1 302.462 3.061 10 0 DGAEMP CC(C)=CC[NH+]1CCC([NH2+]C[C@H]2CCO[C@@H]2C(C)(C)C)CC1 ZINC000328636494 275867631 /nfs/dbraw/zinc/86/76/31/275867631.db2.gz VMTOAQNNDYEENH-AEFFLSMTSA-N 2 1 308.510 3.458 10 0 DGAEMP C[C@@H]1C[NH+](CCCCC[N@H+]2CCS[C@H](C)C2)CCS1 ZINC000172655025 288157753 /nfs/dbraw/zinc/15/77/53/288157753.db2.gz JKVYIPVSGWPLIR-HUUCEWRRSA-N 2 1 302.553 3.031 10 0 DGAEMP CC[N@H+]1CC[C@H]([NH+](C)CCCOc2ccc(F)cc2)[C@H](C)C1 ZINC000081095144 431781435 /nfs/dbraw/zinc/78/14/35/431781435.db2.gz MVGAEBSQVJQQNK-QAPCUYQASA-N 2 1 308.441 3.257 10 0 DGAEMP CC[NH+]1CC[C@H]([N@H+](C)CCCOc2ccc(F)cc2)[C@H](C)C1 ZINC000081095144 431781441 /nfs/dbraw/zinc/78/14/41/431781441.db2.gz MVGAEBSQVJQQNK-QAPCUYQASA-N 2 1 308.441 3.257 10 0 DGAEMP CCc1[nH+]ccn1[C@H]1CCCN(Cc2nc3ccccc3[nH]2)C1 ZINC000122926154 431849013 /nfs/dbraw/zinc/84/90/13/431849013.db2.gz PLTBHYMHZXIVDD-AWEZNQCLSA-N 2 1 309.417 3.159 10 0 DGAEMP C[NH+](C)CCCC1CC[NH+](Cc2nc(C3CCCC3)no2)CC1 ZINC000123449336 431865347 /nfs/dbraw/zinc/86/53/47/431865347.db2.gz FVEKBWHPADZAOH-UHFFFAOYSA-N 2 1 320.481 3.281 10 0 DGAEMP C[C@@H]1C[C@@H]([N@@H+](C)CCC(=O)Nc2ccccc2Cl)CCN1C ZINC000123484330 431866590 /nfs/dbraw/zinc/86/65/90/431866590.db2.gz LXOPBXHBGDWRED-KGLIPLIRSA-N 2 1 323.868 3.083 10 0 DGAEMP C[C@@H]1C[C@@H]([NH+](C)CCC(=O)Nc2ccccc2Cl)CC[N@@H+]1C ZINC000123484330 431866592 /nfs/dbraw/zinc/86/65/92/431866592.db2.gz LXOPBXHBGDWRED-KGLIPLIRSA-N 2 1 323.868 3.083 10 0 DGAEMP C[C@@H]1C[C@@H]([NH+](C)CCC(=O)Nc2ccccc2Cl)CC[N@H+]1C ZINC000123484330 431866594 /nfs/dbraw/zinc/86/65/94/431866594.db2.gz LXOPBXHBGDWRED-KGLIPLIRSA-N 2 1 323.868 3.083 10 0 DGAEMP C[C@@H]1C[C@@H]([N@H+](C)CCC(=O)Nc2ccccc2Cl)CC[NH+]1C ZINC000123484330 431866595 /nfs/dbraw/zinc/86/65/95/431866595.db2.gz LXOPBXHBGDWRED-KGLIPLIRSA-N 2 1 323.868 3.083 10 0 DGAEMP C[C@@H]1C[C@@H]([N@@H+](C)CCC(=O)Nc2ccccc2Cl)CC[NH+]1C ZINC000123484330 431866597 /nfs/dbraw/zinc/86/65/97/431866597.db2.gz LXOPBXHBGDWRED-KGLIPLIRSA-N 2 1 323.868 3.083 10 0 DGAEMP C[C@H]1C[C@@H]([N@@H+](C)CCC(=O)Nc2ccccc2Cl)CCN1C ZINC000123484513 431866684 /nfs/dbraw/zinc/86/66/84/431866684.db2.gz LXOPBXHBGDWRED-KBPBESRZSA-N 2 1 323.868 3.083 10 0 DGAEMP C[C@H]1C[C@@H]([NH+](C)CCC(=O)Nc2ccccc2Cl)CC[N@@H+]1C ZINC000123484513 431866687 /nfs/dbraw/zinc/86/66/87/431866687.db2.gz LXOPBXHBGDWRED-KBPBESRZSA-N 2 1 323.868 3.083 10 0 DGAEMP C[C@H]1C[C@@H]([NH+](C)CCC(=O)Nc2ccccc2Cl)CC[N@H+]1C ZINC000123484513 431866688 /nfs/dbraw/zinc/86/66/88/431866688.db2.gz LXOPBXHBGDWRED-KBPBESRZSA-N 2 1 323.868 3.083 10 0 DGAEMP C[C@H]1C[C@@H]([N@H+](C)CCC(=O)Nc2ccccc2Cl)CC[NH+]1C ZINC000123484513 431866689 /nfs/dbraw/zinc/86/66/89/431866689.db2.gz LXOPBXHBGDWRED-KBPBESRZSA-N 2 1 323.868 3.083 10 0 DGAEMP C[C@H]1C[C@@H]([N@@H+](C)CCC(=O)Nc2ccccc2Cl)CC[NH+]1C ZINC000123484513 431866691 /nfs/dbraw/zinc/86/66/91/431866691.db2.gz LXOPBXHBGDWRED-KBPBESRZSA-N 2 1 323.868 3.083 10 0 DGAEMP C[C@H]1C[C@@H]([NH+](C)Cc2cc(F)cc3cccnc32)CC[N@@H+]1C ZINC000123747086 431872852 /nfs/dbraw/zinc/87/28/52/431872852.db2.gz FLDITTOCCMGTBO-GUYCJALGSA-N 2 1 301.409 3.288 10 0 DGAEMP C[C@H]1C[C@@H]([NH+](C)Cc2cc(F)cc3cccnc32)CC[N@H+]1C ZINC000123747086 431872853 /nfs/dbraw/zinc/87/28/53/431872853.db2.gz FLDITTOCCMGTBO-GUYCJALGSA-N 2 1 301.409 3.288 10 0 DGAEMP C[C@H]1C[C@@H]([N@H+](C)Cc2cc(F)cc3cccnc32)CC[NH+]1C ZINC000123747086 431872856 /nfs/dbraw/zinc/87/28/56/431872856.db2.gz FLDITTOCCMGTBO-GUYCJALGSA-N 2 1 301.409 3.288 10 0 DGAEMP C[C@H]1C[C@@H]([N@@H+](C)Cc2cc(F)cc3cccnc32)CC[NH+]1C ZINC000123747086 431872859 /nfs/dbraw/zinc/87/28/59/431872859.db2.gz FLDITTOCCMGTBO-GUYCJALGSA-N 2 1 301.409 3.288 10 0 DGAEMP C[C@H](CC[NH+](C)C)[NH2+]Cc1ccc(Br)c(F)c1 ZINC000127430645 431971771 /nfs/dbraw/zinc/97/17/71/431971771.db2.gz CYRDUQDRIPBTMY-SNVBAGLBSA-N 2 1 303.219 3.018 10 0 DGAEMP Cc1[nH+]ccn1CCCC[N@H+](C[C@@H]1CCCO1)C1CCCC1 ZINC000125530881 431928627 /nfs/dbraw/zinc/92/86/27/431928627.db2.gz PPPKSXMXRVNEGQ-SFHVURJKSA-N 2 1 305.466 3.395 10 0 DGAEMP Cc1[nH+]ccn1CCCC[N@@H+](C[C@@H]1CCCO1)C1CCCC1 ZINC000125530881 431928629 /nfs/dbraw/zinc/92/86/29/431928629.db2.gz PPPKSXMXRVNEGQ-SFHVURJKSA-N 2 1 305.466 3.395 10 0 DGAEMP C[N@H+]1CCC[C@@H]2C[NH+](CCCOCCc3ccccc3)CC[C@H]21 ZINC000248144516 432271871 /nfs/dbraw/zinc/27/18/71/432271871.db2.gz QAHMGDXZTVVXFE-WOJBJXKFSA-N 2 1 316.489 3.052 10 0 DGAEMP C[NH+]1CCC[C@@H]2C[N@H+](CCCOCCc3ccccc3)CC[C@H]21 ZINC000248144516 432271875 /nfs/dbraw/zinc/27/18/75/432271875.db2.gz QAHMGDXZTVVXFE-WOJBJXKFSA-N 2 1 316.489 3.052 10 0 DGAEMP C[NH+]1CCC[C@@H]2C[N@@H+](CCCOCCc3ccccc3)CC[C@H]21 ZINC000248144516 432271878 /nfs/dbraw/zinc/27/18/78/432271878.db2.gz QAHMGDXZTVVXFE-WOJBJXKFSA-N 2 1 316.489 3.052 10 0 DGAEMP CC[N@H+]1CC[C@H]([NH+](C)CCCCC(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000248451288 432294119 /nfs/dbraw/zinc/29/41/19/432294119.db2.gz JALGRKCFZZUMGW-HOTGVXAUSA-N 2 1 312.498 3.161 10 0 DGAEMP CC[NH+]1CC[C@H]([N@H+](C)CCCCC(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000248451288 432294123 /nfs/dbraw/zinc/29/41/23/432294123.db2.gz JALGRKCFZZUMGW-HOTGVXAUSA-N 2 1 312.498 3.161 10 0 DGAEMP CC[NH+]1CC[C@H]([N@@H+](C)CCCCC(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000248451288 432294126 /nfs/dbraw/zinc/29/41/26/432294126.db2.gz JALGRKCFZZUMGW-HOTGVXAUSA-N 2 1 312.498 3.161 10 0 DGAEMP CCCC[C@@H](CC)C[N@@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000248883938 432325090 /nfs/dbraw/zinc/32/50/90/432325090.db2.gz PMELJYOIOSTPPL-RTBURBONSA-N 2 1 309.542 3.305 10 0 DGAEMP CCCC[C@@H](CC)C[N@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000248883938 432325092 /nfs/dbraw/zinc/32/50/92/432325092.db2.gz PMELJYOIOSTPPL-RTBURBONSA-N 2 1 309.542 3.305 10 0 DGAEMP CC1=CCC[C@H](C)[C@@H]1C[NH+]1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000249095575 432338288 /nfs/dbraw/zinc/33/82/88/432338288.db2.gz OFGLVCMSRITILX-XUVXKRRUSA-N 2 1 319.537 3.081 10 0 DGAEMP Cc1nccn1-c1ccc([C@@H](C)[NH2+]CC[C@H]2CCC[N@H+]2C)cc1 ZINC000183678955 432315721 /nfs/dbraw/zinc/31/57/21/432315721.db2.gz IYMJLZGOHQDDRU-CRAIPNDOSA-N 3 1 312.461 3.316 10 0 DGAEMP C[C@@H]1C[C@@H](NC[C@]2(C)CCC[NH+]2Cc2ccccc2)CC[N@H+]1C ZINC000152946844 432370091 /nfs/dbraw/zinc/37/00/91/432370091.db2.gz CRIIPUGUZWVNBL-HOJAQTOUSA-N 2 1 315.505 3.113 10 0 DGAEMP C[C@@H]1C[C@@H](NC[C@]2(C)CCC[N@@H+]2Cc2ccccc2)CC[NH+]1C ZINC000152946844 432370095 /nfs/dbraw/zinc/37/00/95/432370095.db2.gz CRIIPUGUZWVNBL-HOJAQTOUSA-N 3 1 315.505 3.113 10 0 DGAEMP C[C@@H]1C[C@@H](NC[C@]2(C)CCC[N@H+]2Cc2ccccc2)CC[NH+]1C ZINC000152946844 432370101 /nfs/dbraw/zinc/37/01/01/432370101.db2.gz CRIIPUGUZWVNBL-HOJAQTOUSA-N 3 1 315.505 3.113 10 0 DGAEMP C[NH2+]C1CC[NH+]([C@H](C)c2ccc(OC(F)(F)F)cc2)CC1 ZINC000261807935 432452929 /nfs/dbraw/zinc/45/29/29/432452929.db2.gz ZJVZDVIHNFBQSK-LLVKDONJSA-N 2 1 302.340 3.330 10 0 DGAEMP NCC[N@@H+](CCc1ccccc1)Cc1cccc2cccnc21 ZINC000261859591 432456112 /nfs/dbraw/zinc/45/61/12/432456112.db2.gz ZDGZXBVOPOEBOF-UHFFFAOYSA-N 2 1 305.425 3.238 10 0 DGAEMP [NH3+]CC[N@H+](CCc1ccccc1)Cc1cccc2cccnc21 ZINC000261859591 432456117 /nfs/dbraw/zinc/45/61/17/432456117.db2.gz ZDGZXBVOPOEBOF-UHFFFAOYSA-N 2 1 305.425 3.238 10 0 DGAEMP [NH3+]CC[N@@H+](CCc1ccccc1)Cc1cccc2cccnc21 ZINC000261859591 432456121 /nfs/dbraw/zinc/45/61/21/432456121.db2.gz ZDGZXBVOPOEBOF-UHFFFAOYSA-N 2 1 305.425 3.238 10 0 DGAEMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1ccnn1C ZINC000192852055 432421987 /nfs/dbraw/zinc/42/19/87/432421987.db2.gz MJJNMVYPVNYRDG-BPIHKTFHSA-N 2 1 324.472 3.266 10 0 DGAEMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccnn1C ZINC000192852055 432421989 /nfs/dbraw/zinc/42/19/89/432421989.db2.gz MJJNMVYPVNYRDG-BPIHKTFHSA-N 2 1 324.472 3.266 10 0 DGAEMP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3csc(-c4ccccc4)n3)C[C@H]21 ZINC000262289271 432479934 /nfs/dbraw/zinc/47/99/34/432479934.db2.gz NAHWMJVZFHGNAJ-USXIJHARSA-N 2 1 313.470 3.369 10 0 DGAEMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3csc(-c4ccccc4)n3)C[C@H]21 ZINC000262289271 432479935 /nfs/dbraw/zinc/47/99/35/432479935.db2.gz NAHWMJVZFHGNAJ-USXIJHARSA-N 2 1 313.470 3.369 10 0 DGAEMP c1ccc2c(c1)cccc2C[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1 ZINC000261920689 432461986 /nfs/dbraw/zinc/46/19/86/432461986.db2.gz KGTJTOAGXUWJLU-VAMGGRTRSA-N 2 1 310.441 3.087 10 0 DGAEMP Cc1cccc([C@@H](C)[N@@H+]2CCCC[C@H](N3CC[NH+](C)CC3)C2)c1 ZINC000154023910 432464160 /nfs/dbraw/zinc/46/41/60/432464160.db2.gz AMASQFNSCCIHPR-QUCCMNQESA-N 2 1 315.505 3.158 10 0 DGAEMP Cc1cccc([C@@H](C)[N@H+]2CCCC[C@H](N3CC[NH+](C)CC3)C2)c1 ZINC000154023910 432464162 /nfs/dbraw/zinc/46/41/62/432464162.db2.gz AMASQFNSCCIHPR-QUCCMNQESA-N 2 1 315.505 3.158 10 0 DGAEMP Cc1cccc(C(C)(C)C[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)c1 ZINC000262005658 432467350 /nfs/dbraw/zinc/46/73/50/432467350.db2.gz UZZGLSLMTPFSND-IPMKNSEASA-N 2 1 316.489 3.019 10 0 DGAEMP Fc1cccc(Cl)c1C[C@@H]1CCC[N@@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000262033389 432470563 /nfs/dbraw/zinc/47/05/63/432470563.db2.gz XKFZPPRTPRTVPE-KGLIPLIRSA-N 2 1 310.844 3.486 10 0 DGAEMP Fc1cccc(Cl)c1C[C@@H]1CCC[N@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000262033389 432470567 /nfs/dbraw/zinc/47/05/67/432470567.db2.gz XKFZPPRTPRTVPE-KGLIPLIRSA-N 2 1 310.844 3.486 10 0 DGAEMP Cn1ccc(C[NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c1 ZINC000272503173 432514889 /nfs/dbraw/zinc/51/48/89/432514889.db2.gz FBJMVMXNXSFMAM-XUVXKRRUSA-N 2 1 309.457 3.025 10 0 DGAEMP CCc1cccc(OCC[N@H+]2CCC[C@H]2Cn2ccnc2C)c1 ZINC000178301680 432717418 /nfs/dbraw/zinc/71/74/18/432717418.db2.gz HJOOXGDXDNUMKP-SFHVURJKSA-N 2 1 313.445 3.297 10 0 DGAEMP CCc1cccc(OCC[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2C)c1 ZINC000178301680 432717422 /nfs/dbraw/zinc/71/74/22/432717422.db2.gz HJOOXGDXDNUMKP-SFHVURJKSA-N 2 1 313.445 3.297 10 0 DGAEMP CCc1cccc(OCC[N@H+]2CCC[C@H]2Cn2cc[nH+]c2C)c1 ZINC000178301680 432717428 /nfs/dbraw/zinc/71/74/28/432717428.db2.gz HJOOXGDXDNUMKP-SFHVURJKSA-N 2 1 313.445 3.297 10 0 DGAEMP C[N@H+](Cc1ccccc1)CC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000241132872 432815989 /nfs/dbraw/zinc/81/59/89/432815989.db2.gz JMPMXBCQLGXBPE-VQTJNVASSA-N 2 1 316.489 3.134 10 0 DGAEMP CC[N@H+]1CC[C@@H]([NH+](C)CCCOc2ccc(F)cc2)[C@@H](C)C1 ZINC000245429023 432829417 /nfs/dbraw/zinc/82/94/17/432829417.db2.gz MVGAEBSQVJQQNK-MAUKXSAKSA-N 2 1 308.441 3.257 10 0 DGAEMP CC[NH+]1CC[C@@H]([N@H+](C)CCCOc2ccc(F)cc2)[C@@H](C)C1 ZINC000245429023 432829419 /nfs/dbraw/zinc/82/94/19/432829419.db2.gz MVGAEBSQVJQQNK-MAUKXSAKSA-N 2 1 308.441 3.257 10 0 DGAEMP CC[NH+]1CC[C@@H]([N@@H+](C)CCCOc2ccc(F)cc2)[C@@H](C)C1 ZINC000245429023 432829423 /nfs/dbraw/zinc/82/94/23/432829423.db2.gz MVGAEBSQVJQQNK-MAUKXSAKSA-N 2 1 308.441 3.257 10 0 DGAEMP Cc1nccc(CN[C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)n1 ZINC000374519041 433207927 /nfs/dbraw/zinc/20/79/27/433207927.db2.gz IUSYGNWAKATLRZ-IBGZPJMESA-N 2 1 324.472 3.175 10 0 DGAEMP Cc1nccc(C[NH2+][C@H]2CCN(Cc3ccccc3)CC2(C)C)n1 ZINC000374519041 433207938 /nfs/dbraw/zinc/20/79/38/433207938.db2.gz IUSYGNWAKATLRZ-IBGZPJMESA-N 2 1 324.472 3.175 10 0 DGAEMP C/C=C\C[C@H](CO)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000447597164 433241787 /nfs/dbraw/zinc/24/17/87/433241787.db2.gz FOMQSTNUXNVGCM-FQCCLSDLSA-N 2 1 314.473 3.099 10 0 DGAEMP c1ccc(CN2CCCO[C@H](C[N@H+]3CCCC34CCC4)C2)cc1 ZINC000375334516 433432926 /nfs/dbraw/zinc/43/29/26/433432926.db2.gz CPJDACSQVHNLFI-IBGZPJMESA-N 2 1 314.473 3.296 10 0 DGAEMP C[C@H](c1cccc(Br)c1)[N@@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000311208319 290245022 /nfs/dbraw/zinc/24/50/22/290245022.db2.gz NUQGYGIPEGULAU-LALPHHSUSA-N 2 1 311.267 3.427 10 0 DGAEMP C[C@H](c1cccc(Br)c1)[N@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000311208319 290245024 /nfs/dbraw/zinc/24/50/24/290245024.db2.gz NUQGYGIPEGULAU-LALPHHSUSA-N 2 1 311.267 3.427 10 0 DGAEMP OC1(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCC1 ZINC000367438802 293072591 /nfs/dbraw/zinc/07/25/91/293072591.db2.gz PIFGJKQLPOQKRD-YQQQUEKLSA-N 2 1 314.473 3.077 10 0 DGAEMP CO[C@@H]1CCC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000370802093 293191112 /nfs/dbraw/zinc/19/11/12/293191112.db2.gz ASDMFLNBZLUKPS-OLPBJYBYSA-N 2 1 314.473 3.339 10 0 DGAEMP C[C@@H]1CC([NH2+]C[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)C[C@@H](C)O1 ZINC000374279573 293376911 /nfs/dbraw/zinc/37/69/11/293376911.db2.gz KWQPJEXYFLKWDL-MBOZVWFJSA-N 2 1 316.489 3.444 10 0 DGAEMP c1cc(C[NH+]2CCOCC2)ccc1C[NH2+][C@@H]1CCCC12CCC2 ZINC000449063935 433718644 /nfs/dbraw/zinc/71/86/44/433718644.db2.gz RYQPXSHUCWGREW-LJQANCHMSA-N 2 1 314.473 3.331 10 0 DGAEMP COC(C)(C)[C@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000340258367 434020090 /nfs/dbraw/zinc/02/00/90/434020090.db2.gz NBGHBGJBIITUNU-BQFCYCMXSA-N 2 1 304.478 3.443 10 0 DGAEMP COC(C)(C)[C@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000340258367 434020098 /nfs/dbraw/zinc/02/00/98/434020098.db2.gz NBGHBGJBIITUNU-BQFCYCMXSA-N 2 1 304.478 3.443 10 0 DGAEMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)CS1 ZINC000309772484 434094280 /nfs/dbraw/zinc/09/42/80/434094280.db2.gz HXTAFPXZNZGROP-GYFISPQKSA-N 2 1 316.514 3.381 10 0 DGAEMP C[N@H+](C[C@H]1CCC[C@H](O)C1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000309682661 434097826 /nfs/dbraw/zinc/09/78/26/434097826.db2.gz AEUWDASGDYTQJG-ICSRJNTNSA-N 2 1 316.489 3.134 10 0 DGAEMP C[N@@H+](C[C@H]1CCC[C@H](O)C1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000309682661 434097833 /nfs/dbraw/zinc/09/78/33/434097833.db2.gz AEUWDASGDYTQJG-ICSRJNTNSA-N 2 1 316.489 3.134 10 0 DGAEMP C[C@H](c1ccc(Br)cc1)[N@@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000310855205 434110982 /nfs/dbraw/zinc/11/09/82/434110982.db2.gz BHIJSKXLEYJFHM-LALPHHSUSA-N 2 1 311.267 3.427 10 0 DGAEMP C[C@H](c1ccc(Br)cc1)[N@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000310855205 434110992 /nfs/dbraw/zinc/11/09/92/434110992.db2.gz BHIJSKXLEYJFHM-LALPHHSUSA-N 2 1 311.267 3.427 10 0 DGAEMP Cc1nccnc1[C@H](C)N[C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000363866675 434165799 /nfs/dbraw/zinc/16/57/99/434165799.db2.gz QMOSNAQCEAYTKP-HHXXYDBFSA-N 2 1 324.472 3.346 10 0 DGAEMP O[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000378955778 434253029 /nfs/dbraw/zinc/25/30/29/434253029.db2.gz LUSQIHNHCNTKEI-XUVXKRRUSA-N 2 1 316.489 3.182 10 0 DGAEMP C[C@H]1C[C@@H]([NH2+]CCOC(C)(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000379650408 434256822 /nfs/dbraw/zinc/25/68/22/434256822.db2.gz RRGYABXBJLXTDW-WMZOPIPTSA-N 2 1 304.478 3.444 10 0 DGAEMP C[C@H]1C[C@@H]([NH2+]CCOC(C)(C)C)CC[N@H+]1Cc1ccccc1 ZINC000379650408 434256830 /nfs/dbraw/zinc/25/68/30/434256830.db2.gz RRGYABXBJLXTDW-WMZOPIPTSA-N 2 1 304.478 3.444 10 0 DGAEMP c1ccc(C[C@@H]([NH2+]CCC[NH2+]Cc2cccnc2)C2CC2)cc1 ZINC000423189501 434271021 /nfs/dbraw/zinc/27/10/21/434271021.db2.gz POSKWOHENMKSPU-HXUWFJFHSA-N 2 1 309.457 3.172 10 0 DGAEMP COC[C@@H](C)C[NH2+]C[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000390769543 434365733 /nfs/dbraw/zinc/36/57/33/434365733.db2.gz KGQSMCKPVYOEEH-PKOBYXMFSA-N 2 1 304.478 3.161 10 0 DGAEMP c1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH2+][C@H]4CCCOC4)[C@@H]3C2)cc1 ZINC000287499931 434376946 /nfs/dbraw/zinc/37/69/46/434376946.db2.gz YKVQUBYFYHRWHX-VNTMZGSJSA-N 2 1 314.473 3.056 10 0 DGAEMP C[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)CS1 ZINC000398092753 434457156 /nfs/dbraw/zinc/45/71/56/434457156.db2.gz JTNJTNGLYSHEFD-MVJTYMMSSA-N 2 1 304.503 3.381 10 0 DGAEMP C[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)CS1 ZINC000398092753 434457163 /nfs/dbraw/zinc/45/71/63/434457163.db2.gz JTNJTNGLYSHEFD-MVJTYMMSSA-N 2 1 304.503 3.381 10 0 DGAEMP CC(=O)c1ccc2c(c1)CC[NH+](CC[C@H]1CCCC[N@H+]1C)CC2 ZINC000371045136 434638014 /nfs/dbraw/zinc/63/80/14/434638014.db2.gz TXZILRGGAZFMOS-HXUWFJFHSA-N 2 1 314.473 3.164 10 0 DGAEMP CC(=O)c1ccc2c(c1)CC[NH+](CC[C@H]1CCCC[N@@H+]1C)CC2 ZINC000371045136 434638019 /nfs/dbraw/zinc/63/80/19/434638019.db2.gz TXZILRGGAZFMOS-HXUWFJFHSA-N 2 1 314.473 3.164 10 0 DGAEMP CC(=O)c1ccc2c(c1)CC[N@H+](CC[C@H]1CCCC[NH+]1C)CC2 ZINC000371045136 434638022 /nfs/dbraw/zinc/63/80/22/434638022.db2.gz TXZILRGGAZFMOS-HXUWFJFHSA-N 2 1 314.473 3.164 10 0 DGAEMP CC(=O)c1ccc2c(c1)CC[N@@H+](CC[C@H]1CCCC[NH+]1C)CC2 ZINC000371045136 434638025 /nfs/dbraw/zinc/63/80/25/434638025.db2.gz TXZILRGGAZFMOS-HXUWFJFHSA-N 2 1 314.473 3.164 10 0 DGAEMP c1ccc2c(c1)cccc2OCC[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000579712593 435176848 /nfs/dbraw/zinc/17/68/48/435176848.db2.gz SHBZHXZTWIBIBH-HXUWFJFHSA-N 2 1 310.441 3.294 10 0 DGAEMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@H](O)CC(C)(C)C ZINC000483178818 435500884 /nfs/dbraw/zinc/50/08/84/435500884.db2.gz OPWNHHCOUYCRNT-BHIYHBOVSA-N 2 1 318.505 3.284 10 0 DGAEMP CCC[NH+](CC)CCN[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000484472060 435546526 /nfs/dbraw/zinc/54/65/26/435546526.db2.gz JPMNKJMZXBTDQY-QUCCMNQESA-N 2 1 317.521 3.219 10 0 DGAEMP CCC[NH+](CC)CCN[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000484472060 435546529 /nfs/dbraw/zinc/54/65/29/435546529.db2.gz JPMNKJMZXBTDQY-QUCCMNQESA-N 2 1 317.521 3.219 10 0 DGAEMP CCC[N@@H+](CC)CCN[C@H]1CC[NH+](Cc2ccccc2)C[C@H]1C ZINC000484472060 435546510 /nfs/dbraw/zinc/54/65/10/435546510.db2.gz JPMNKJMZXBTDQY-QUCCMNQESA-N 2 1 317.521 3.219 10 0 DGAEMP c1cnn(CCC[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)c1 ZINC000570681686 435640215 /nfs/dbraw/zinc/64/02/15/435640215.db2.gz BKYOXGMEGLLOCK-IBGZPJMESA-N 2 1 324.472 3.060 10 0 DGAEMP c1cnn(CCC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)c1 ZINC000570681686 435640216 /nfs/dbraw/zinc/64/02/16/435640216.db2.gz BKYOXGMEGLLOCK-IBGZPJMESA-N 2 1 324.472 3.060 10 0 DGAEMP CC(C)(C)OC(=O)CC[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000491054485 435699559 /nfs/dbraw/zinc/69/95/59/435699559.db2.gz CCPXZOPUXVEZAP-KRWDZBQOSA-N 2 1 324.509 3.306 10 0 DGAEMP CC(C)(C)OC(=O)CC[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000491054485 435699562 /nfs/dbraw/zinc/69/95/62/435699562.db2.gz CCPXZOPUXVEZAP-KRWDZBQOSA-N 2 1 324.509 3.306 10 0 DGAEMP CC(C)C[C@@H](C)[NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000531677770 313479706 /nfs/dbraw/zinc/47/97/06/313479706.db2.gz VYQWQVMZMRFXBT-HZPDHXFCSA-N 2 1 309.523 3.061 10 0 DGAEMP c1ccc2cc(OCC[N@H+]3CC[C@]4(C3)CCC[NH2+]C4)ccc2c1 ZINC000564987073 315217632 /nfs/dbraw/zinc/21/76/32/315217632.db2.gz NNNDHQUWVPTCIJ-HXUWFJFHSA-N 2 1 310.441 3.294 10 0 DGAEMP c1ccc(C[N@H+]2CC[C@@H]([NH2+]CCc3cccnc3)CC23CC3)cc1 ZINC000566216062 315322616 /nfs/dbraw/zinc/32/26/16/315322616.db2.gz KECQZEXUUGPXCJ-HXUWFJFHSA-N 2 1 321.468 3.411 10 0 DGAEMP c1ccc(C[N@@H+]2CC[C@@H]([NH2+]CCc3cccnc3)CC23CC3)cc1 ZINC000566216062 315322618 /nfs/dbraw/zinc/32/26/18/315322618.db2.gz KECQZEXUUGPXCJ-HXUWFJFHSA-N 2 1 321.468 3.411 10 0 DGAEMP c1ccc(C[N@@H+]2CC[C@@H]([NH2+][C@@H]3CCSC3)CC23CC3)cc1 ZINC000566215451 315322994 /nfs/dbraw/zinc/32/29/94/315322994.db2.gz DUJVGPIYSXURCN-IAGOWNOFSA-N 2 1 302.487 3.279 10 0 DGAEMP c1ccc(C[N@H+]2CC[C@@H]([NH2+][C@@H]3CCSC3)CC23CC3)cc1 ZINC000566215451 315322996 /nfs/dbraw/zinc/32/29/96/315322996.db2.gz DUJVGPIYSXURCN-IAGOWNOFSA-N 2 1 302.487 3.279 10 0 DGAEMP [NH3+]CCC[NH2+]CCCCNc1cc[nH+]c2cc(Cl)ccc12 ZINC000584615011 337372797 /nfs/dbraw/zinc/37/27/97/337372797.db2.gz GCYFXSLAYPRTHW-UHFFFAOYSA-N 3 1 306.841 3.019 10 0 DGAEMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1CCC(CO)CC1 ZINC000361980146 500904690 /nfs/dbraw/zinc/90/46/90/500904690.db2.gz HOOWNPQGTCMDDM-WQUXRXDGSA-N 2 1 316.489 3.038 10 0 DGAEMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1CCC(CO)CC1 ZINC000361980146 500904693 /nfs/dbraw/zinc/90/46/93/500904693.db2.gz HOOWNPQGTCMDDM-WQUXRXDGSA-N 2 1 316.489 3.038 10 0 DGAEMP COc1ccccc1CC1CC[NH+](CC[C@H]2CCC[N@H+]2C)CC1 ZINC000083877900 545781274 /nfs/dbraw/zinc/78/12/74/545781274.db2.gz KMIZQHYHYLHHCR-LJQANCHMSA-N 2 1 316.489 3.434 10 0 DGAEMP Cn1cccc1C[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000272618538 546357294 /nfs/dbraw/zinc/35/72/94/546357294.db2.gz XQIBWNOYTLKVRN-DFQSSKMNSA-N 2 1 309.457 3.025 10 0 DGAEMP c1ccc(C[N@@H+]2CCCC[C@H](C[NH2+][C@@H]3CCCOC3)C2)cc1 ZINC000336716399 546517365 /nfs/dbraw/zinc/51/73/65/546517365.db2.gz PFHFPKBYVDPLII-RTBURBONSA-N 2 1 302.462 3.057 10 0 DGAEMP C[C@@H]1C[C@H]([NH2+]CC2CCC(O)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000379628621 546734856 /nfs/dbraw/zinc/73/48/56/546734856.db2.gz NUCDRHZRTOIHRK-BXXUTWAOSA-N 2 1 316.489 3.180 10 0 DGAEMP C[C@@H]1C[C@H]([NH2+]CC2CCC(O)CC2)CC[N@H+]1Cc1ccccc1 ZINC000379628621 546734861 /nfs/dbraw/zinc/73/48/61/546734861.db2.gz NUCDRHZRTOIHRK-BXXUTWAOSA-N 2 1 316.489 3.180 10 0 DGAEMP COC[C@H](C[NH2+]C1CC[NH+](Cc2ccccc2)CC1)C(C)C ZINC000721941805 660453656 /nfs/dbraw/zinc/45/36/56/660453656.db2.gz OQZRQAXDYRPLMI-SFHVURJKSA-N 2 1 304.478 3.159 10 0 DGAEMP C[C@H]([NH2+]C[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1)[C@H]1CCCCO1 ZINC000705995614 660841359 /nfs/dbraw/zinc/84/13/59/660841359.db2.gz UZNOKAWXGXPOKZ-DFQSSKMNSA-N 2 1 316.489 3.446 10 0 DGAEMP C[C@@H]1C[N@@H+](Cc2cc(Br)ccc2F)C[C@H]1CC[NH3+] ZINC000723891037 655728967 /nfs/dbraw/zinc/72/89/67/655728967.db2.gz JKMWUYFKEVOQCO-GHMZBOCLSA-N 2 1 315.230 3.005 10 0 DGAEMP C[C@@H]1C[N@@H+](Cc2c(F)cccc2Br)C[C@H]1CC[NH3+] ZINC000723911553 655729372 /nfs/dbraw/zinc/72/93/72/655729372.db2.gz ANZWXRWOZUAADW-GHMZBOCLSA-N 2 1 315.230 3.005 10 0 DGAEMP CC(C)[C@H](CCO)[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716621552 661225025 /nfs/dbraw/zinc/22/50/25/661225025.db2.gz RFSAKFAPZRNIRJ-YRPNKDGESA-N 2 1 316.489 3.036 10 0 DGAEMP CC(C)C[C@H](O)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716620028 661225178 /nfs/dbraw/zinc/22/51/78/661225178.db2.gz KHUXOTOWHXLXQM-YRPNKDGESA-N 2 1 316.489 3.036 10 0 DGAEMP CSCCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716623596 661225184 /nfs/dbraw/zinc/22/51/84/661225184.db2.gz BKOXGWFMNZWENL-BZSNNMDCSA-N 2 1 304.503 3.382 10 0 DGAEMP CO[C@@H]1CCC[C@H]1[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716663552 661225930 /nfs/dbraw/zinc/22/59/30/661225930.db2.gz SQWVLMYXPVXJIG-PXTPFGJHSA-N 2 1 314.473 3.197 10 0 DGAEMP CC[C@H](C[C@@H](C)O)[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716641233 661226035 /nfs/dbraw/zinc/22/60/35/661226035.db2.gz YDVCTEKCQJJZTQ-JUSBFGHESA-N 2 1 316.489 3.179 10 0 DGAEMP Cc1nocc1C[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716677471 661226634 /nfs/dbraw/zinc/22/66/34/661226634.db2.gz FKFNAZKYQXSQEX-WDSOQIARSA-N 2 1 311.429 3.126 10 0 DGAEMP Cc1nocc1C[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716677471 661226636 /nfs/dbraw/zinc/22/66/36/661226636.db2.gz FKFNAZKYQXSQEX-WDSOQIARSA-N 2 1 311.429 3.126 10 0 DGAEMP CCC[C@@H](C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2)OC ZINC000716695829 661227581 /nfs/dbraw/zinc/22/75/81/661227581.db2.gz YJRJNFMORYOOSY-YRPNKDGESA-N 2 1 316.489 3.444 10 0 DGAEMP c1ccc(C[N@H+]2C[C@@H]3C[C@H]2C[C@H]([NH2+]C[C@@H]2CCC=CO2)C3)cc1 ZINC000716716217 661227626 /nfs/dbraw/zinc/22/76/26/661227626.db2.gz GGJPZBSRGDDZJB-YRPNKDGESA-N 2 1 312.457 3.322 10 0 DGAEMP CC[C@](C)(C[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2)OC ZINC000716728275 661227917 /nfs/dbraw/zinc/22/79/17/661227917.db2.gz OEVDDOZSZCXEOY-LWYYNNOASA-N 2 1 316.489 3.444 10 0 DGAEMP C[C@H]([NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2)[C@H]1CCOC1 ZINC000716734800 661228062 /nfs/dbraw/zinc/22/80/62/661228062.db2.gz WLFGDTWMGMXBOG-XCZFOBESSA-N 2 1 314.473 3.054 10 0 DGAEMP Cc1cc(Br)ccc1C[N@H+](C)C[C@@]1(C)CC[NH2+]C1 ZINC000261949928 657251276 /nfs/dbraw/zinc/25/12/76/657251276.db2.gz FVQMSECSSICXSX-HNNXBMFYSA-N 2 1 311.267 3.189 10 0 DGAEMP C[C@H](COCc1ccccc1)C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000719512105 662291288 /nfs/dbraw/zinc/29/12/88/662291288.db2.gz XHPASWPKCIGXBE-UBLGTCEWSA-N 2 1 302.462 3.054 10 0 DGAEMP c1csc(-c2ncc(C[NH2+]CCC[NH+]3CCCC3)s2)c1 ZINC000083447755 1197429279 /nfs/dbraw/zinc/42/92/79/1197429279.db2.gz VFPFLQRPYUIWDL-UHFFFAOYSA-N 2 1 307.488 3.447 10 0 DGAEMP Cc1n[nH]c(C)c1C[NH2+]CC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000379649837 1197704251 /nfs/dbraw/zinc/70/42/51/1197704251.db2.gz PWVJISFBUDLASH-AWEZNQCLSA-N 2 1 300.450 3.027 10 0 DGAEMP Cc1n[nH]c(C)c1C[NH2+]CC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000379649837 1197704257 /nfs/dbraw/zinc/70/42/57/1197704257.db2.gz PWVJISFBUDLASH-AWEZNQCLSA-N 2 1 300.450 3.027 10 0 DGAEMP COc1cc(F)cc(C[NH2+]CCC[N@H+](C)Cc2ccccc2)c1 ZINC000312290871 1199750544 /nfs/dbraw/zinc/75/05/44/1199750544.db2.gz XLGMKHFWBKOMBE-UHFFFAOYSA-N 2 1 316.420 3.446 10 0 DGAEMP COc1cc(F)cc(C[NH2+]CCC[N@@H+](C)Cc2ccccc2)c1 ZINC000312290871 1199750547 /nfs/dbraw/zinc/75/05/47/1199750547.db2.gz XLGMKHFWBKOMBE-UHFFFAOYSA-N 2 1 316.420 3.446 10 0 DGAEMP c1ccc(OC2CCC2)c(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000090027299 185278932 /nfs/dbraw/zinc/27/89/32/185278932.db2.gz FBLXPYVCSMVUGG-DLBZAZTESA-N 2 1 300.446 3.334 10 0 DGAEMP c1ccc(OC2CCC2)c(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000090027299 185278933 /nfs/dbraw/zinc/27/89/33/185278933.db2.gz FBLXPYVCSMVUGG-DLBZAZTESA-N 2 1 300.446 3.334 10 0 DGAEMP COc1ccccc1C[N@@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000092813328 185343341 /nfs/dbraw/zinc/34/33/41/185343341.db2.gz GNRFJCOSCYQBAW-MRXNPFEDSA-N 2 1 311.429 3.333 10 0 DGAEMP COc1ccccc1C[N@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000092813328 185343342 /nfs/dbraw/zinc/34/33/42/185343342.db2.gz GNRFJCOSCYQBAW-MRXNPFEDSA-N 2 1 311.429 3.333 10 0 DGAEMP COc1ccc(C[N@@H+]2CC[C@@H](CNc3cccc(C)[nH+]3)C2)cc1 ZINC000092813229 185343440 /nfs/dbraw/zinc/34/34/40/185343440.db2.gz WPVBXCNHHAQXIX-KRWDZBQOSA-N 2 1 311.429 3.333 10 0 DGAEMP COc1ccc(C[N@H+]2CC[C@@H](CNc3cccc(C)[nH+]3)C2)cc1 ZINC000092813229 185343441 /nfs/dbraw/zinc/34/34/41/185343441.db2.gz WPVBXCNHHAQXIX-KRWDZBQOSA-N 2 1 311.429 3.333 10 0 DGAEMP C=Cn1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cn1 ZINC000194305659 186279475 /nfs/dbraw/zinc/27/94/75/186279475.db2.gz WNDXFHZRFFHHPX-IHWFROFDSA-N 2 1 322.456 3.269 10 0 DGAEMP C=Cn1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cn1 ZINC000194305659 186279477 /nfs/dbraw/zinc/27/94/77/186279477.db2.gz WNDXFHZRFFHHPX-IHWFROFDSA-N 2 1 322.456 3.269 10 0 DGAEMP Cc1nc(C)c(C[N@H+]2CC[C@H](CNc3cccc(C)[nH+]3)C2)s1 ZINC000172771202 198147065 /nfs/dbraw/zinc/14/70/65/198147065.db2.gz GTZHWQPQGZBFOJ-OAHLLOKOSA-N 2 1 316.474 3.397 10 0 DGAEMP Cn1ncc2c1CCC[C@@H]2[NH2+]C1CC[NH+](CC2CCCC2)CC1 ZINC000120756963 282829319 /nfs/dbraw/zinc/82/93/19/282829319.db2.gz RWJQHMHTUSZGNQ-SFHVURJKSA-N 2 1 316.493 3.042 10 0 DGAEMP C[C@@H]1C[C@H]([NH2+]CCc2coc(-c3ccc(F)cc3)n2)CC[N@H+]1C ZINC000179454917 432059246 /nfs/dbraw/zinc/05/92/46/432059246.db2.gz NOVYGLISCXYFGQ-CZUORRHYSA-N 2 1 317.408 3.096 10 0 DGAEMP O[C@H]1CCCC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000180139461 199122156 /nfs/dbraw/zinc/12/21/56/199122156.db2.gz QKUOVHRDXZAMTG-NOSIKRSBSA-N 2 1 314.473 3.075 10 0 DGAEMP c1c(C[N@@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)[nH]nc1-c1ccccc1 ZINC000415032276 237019656 /nfs/dbraw/zinc/01/96/56/237019656.db2.gz AAQABOPCYMNSHJ-QFBILLFUSA-N 2 1 310.445 3.041 10 0 DGAEMP c1c(C[N@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)[nH]nc1-c1ccccc1 ZINC000415032276 237019663 /nfs/dbraw/zinc/01/96/63/237019663.db2.gz AAQABOPCYMNSHJ-QFBILLFUSA-N 2 1 310.445 3.041 10 0 DGAEMP c1ccc(OCCCC[N@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)cc1 ZINC000415039651 237026928 /nfs/dbraw/zinc/02/69/28/237026928.db2.gz JJVPGESMQNLCNU-HKUYNNGSSA-N 2 1 302.462 3.310 10 0 DGAEMP COc1ccccc1/C=C/C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000246093611 432094386 /nfs/dbraw/zinc/09/43/86/432094386.db2.gz IUSSPDMAYWFDIA-JFDVKVQISA-N 2 1 300.446 3.125 10 0 DGAEMP COc1ccccc1/C=C/C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000246093611 432094390 /nfs/dbraw/zinc/09/43/90/432094390.db2.gz IUSSPDMAYWFDIA-JFDVKVQISA-N 2 1 300.446 3.125 10 0 DGAEMP COc1ccccc1/C=C/C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000246093611 432094392 /nfs/dbraw/zinc/09/43/92/432094392.db2.gz IUSSPDMAYWFDIA-JFDVKVQISA-N 2 1 300.446 3.125 10 0 DGAEMP COc1ccccc1/C=C/C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000246093611 432094394 /nfs/dbraw/zinc/09/43/94/432094394.db2.gz IUSSPDMAYWFDIA-JFDVKVQISA-N 2 1 300.446 3.125 10 0 DGAEMP C[N@@H+](CCOc1c(Cl)cccc1Cl)CC(C)(C)C[NH3+] ZINC000093874385 193322098 /nfs/dbraw/zinc/32/20/98/193322098.db2.gz QILWDZPEJIXBJI-UHFFFAOYSA-N 2 1 305.249 3.289 10 0 DGAEMP CC[N@H+]1CC[C@@H]([NH2+]CCc2ccc(OC)cc2Cl)[C@H](C)C1 ZINC000122881021 284227493 /nfs/dbraw/zinc/22/74/93/284227493.db2.gz XWMNSSHTYIIQLD-CXAGYDPISA-N 2 1 310.869 3.211 10 0 DGAEMP C[N@H+]1CCCN(CCC[NH2+][C@@H]2CCCC[C@H]2C(C)(C)C)CC1 ZINC000128477688 284376712 /nfs/dbraw/zinc/37/67/12/284376712.db2.gz NFWOVUFGMQESQH-QZTJIDSGSA-N 2 1 309.542 3.209 10 0 DGAEMP CCc1[nH+]ccn1[C@H](c1ccccc1Br)[C@@H](C)[NH3+] ZINC000043093909 183336464 /nfs/dbraw/zinc/33/64/64/183336464.db2.gz KOWYTJLDCSUDNZ-YGRLFVJLSA-N 2 1 308.223 3.145 10 0 DGAEMP Brc1ccc(C[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)o1 ZINC000063197537 184278047 /nfs/dbraw/zinc/27/80/47/184278047.db2.gz DTYCGYUKLLDJSZ-ZDUSSCGKSA-N 2 1 313.239 3.006 10 0 DGAEMP COC[C@@H](C)C[NH2+]Cc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000249770051 285088137 /nfs/dbraw/zinc/08/81/37/285088137.db2.gz JGDIYQVDPNOSMT-IRXDYDNUSA-N 2 1 304.478 3.291 10 0 DGAEMP COC(C)(C)[C@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000340258369 253589486 /nfs/dbraw/zinc/58/94/86/253589486.db2.gz NBGHBGJBIITUNU-RYRKJORJSA-N 2 1 304.478 3.443 10 0 DGAEMP COC(C)(C)[C@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000340258369 253589487 /nfs/dbraw/zinc/58/94/87/253589487.db2.gz NBGHBGJBIITUNU-RYRKJORJSA-N 2 1 304.478 3.443 10 0 DGAEMP C[C@@H]([NH2+][C@H]1C[C@@H](C)O[C@H]1C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000295615542 533548911 /nfs/dbraw/zinc/54/89/11/533548911.db2.gz DOCKJICIEHVXDA-SMYFESCOSA-N 2 1 302.462 3.053 10 0 DGAEMP CC1CCC(C[N@@H+](Cc2cncnc2)[C@H]2CCC[NH2+]CC2)CC1 ZINC000328638995 400183763 /nfs/dbraw/zinc/18/37/63/400183763.db2.gz PHYRPRFTEABYNC-TVPLGVNVSA-N 2 1 316.493 3.247 10 0 DGAEMP C[C@H](N[C@@H]1CCCCC[N@@H+](Cc2ccccc2)C1)[C@@H]1CC[NH2+]C1 ZINC000635019559 401405329 /nfs/dbraw/zinc/40/53/29/401405329.db2.gz IACUKVVVLVAFIN-DFQSSKMNSA-N 2 1 315.505 3.019 10 0 DGAEMP C[C@H]([NH2+][C@@H]1CCCCCN(Cc2ccccc2)C1)[C@@H]1CC[NH2+]C1 ZINC000635019559 401405333 /nfs/dbraw/zinc/40/53/33/401405333.db2.gz IACUKVVVLVAFIN-DFQSSKMNSA-N 2 1 315.505 3.019 10 0 DGAEMP C[C@@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)[C@@H]1CCCCO1 ZINC000623902125 401597067 /nfs/dbraw/zinc/59/70/67/401597067.db2.gz BBFHBSSYCGWSOI-JYBIWHBTSA-N 2 1 316.489 3.444 10 0 DGAEMP C[C@@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)[C@@H]1CCCCO1 ZINC000623902125 401597069 /nfs/dbraw/zinc/59/70/69/401597069.db2.gz BBFHBSSYCGWSOI-JYBIWHBTSA-N 2 1 316.489 3.444 10 0 DGAEMP C[N@H+]1CCCC[C@@H](C[NH2+]C2CC(OCc3ccccc3)C2)C1 ZINC000624124056 401629733 /nfs/dbraw/zinc/62/97/33/401629733.db2.gz WBKRMBXWPREVPW-VIQWUECVSA-N 2 1 302.462 3.056 10 0 DGAEMP C([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)C(C1CCC1)C1CCC1 ZINC000624038533 401616941 /nfs/dbraw/zinc/61/69/41/401616941.db2.gz LEVUMCDVKDTEMG-GOSISDBHSA-N 2 1 306.494 3.046 10 0 DGAEMP COc1ccc2nc(CN(C)[C@@H]3CC[N@@H+](C)[C@@H](C)C3)sc2c1 ZINC000187120336 165076694 /nfs/dbraw/zinc/07/66/94/165076694.db2.gz DVURMJSWPRMEQD-QWHCGFSZSA-N 2 1 319.474 3.219 10 0 DGAEMP COc1ccc2c(c1)CCC[C@H]2C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000193293360 165322780 /nfs/dbraw/zinc/32/27/80/165322780.db2.gz URSVQDIMWZJXCQ-OOKSDGMUSA-N 2 1 314.473 3.330 10 0 DGAEMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]Cc2ccnc(N)c2)cc1 ZINC000193524023 165327106 /nfs/dbraw/zinc/32/71/06/165327106.db2.gz GUALCERNWVOIEN-CYBMUJFWSA-N 2 1 307.401 3.009 10 0 DGAEMP c1coc(-c2cc(C[N@H+]3CC[C@H](CNc4ccccn4)C3)no2)c1 ZINC000171645114 432154421 /nfs/dbraw/zinc/15/44/21/432154421.db2.gz PHMWVGFBLKMDHE-CQSZACIVSA-N 2 1 324.384 3.264 10 0 DGAEMP c1coc(-c2cc(C[N@@H+]3CC[C@H](CNc4ccccn4)C3)no2)c1 ZINC000171645114 432154424 /nfs/dbraw/zinc/15/44/24/432154424.db2.gz PHMWVGFBLKMDHE-CQSZACIVSA-N 2 1 324.384 3.264 10 0 DGAEMP COc1cccc(CCC[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)c1 ZINC000247116499 432203299 /nfs/dbraw/zinc/20/32/99/432203299.db2.gz AHNJBQMXZAOIIB-PKOBYXMFSA-N 2 1 302.462 3.044 10 0 DGAEMP COc1cccc(CCC[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c1 ZINC000247116499 432203304 /nfs/dbraw/zinc/20/33/04/432203304.db2.gz AHNJBQMXZAOIIB-PKOBYXMFSA-N 2 1 302.462 3.044 10 0 DGAEMP COc1cccc(CCC[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)c1 ZINC000247116499 432203306 /nfs/dbraw/zinc/20/33/06/432203306.db2.gz AHNJBQMXZAOIIB-PKOBYXMFSA-N 2 1 302.462 3.044 10 0 DGAEMP c1cc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc2c1OCC2 ZINC000247230888 432212743 /nfs/dbraw/zinc/21/27/43/432212743.db2.gz WHPKRZNCPOJWSZ-PKOBYXMFSA-N 2 1 312.457 3.070 10 0 DGAEMP c1cc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc2c1OCC2 ZINC000247230888 432212746 /nfs/dbraw/zinc/21/27/46/432212746.db2.gz WHPKRZNCPOJWSZ-PKOBYXMFSA-N 2 1 312.457 3.070 10 0 DGAEMP c1cc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc2c1OCC2 ZINC000247230888 432212749 /nfs/dbraw/zinc/21/27/49/432212749.db2.gz WHPKRZNCPOJWSZ-PKOBYXMFSA-N 2 1 312.457 3.070 10 0 DGAEMP CC[N@H+]1CC[C@H]([NH2+]CCc2ccc(OC)cc2Cl)[C@@H](C)C1 ZINC000247245245 432214365 /nfs/dbraw/zinc/21/43/65/432214365.db2.gz XWMNSSHTYIIQLD-GUYCJALGSA-N 2 1 310.869 3.211 10 0 DGAEMP C[C@@H]1CC[C@H]([NH2+]C[C@@H](O)C[NH+]2CCCCC2)c2ccccc21 ZINC000247124117 432204063 /nfs/dbraw/zinc/20/40/63/432204063.db2.gz RHYMDQLUDFDRFZ-MDZRGWNJSA-N 2 1 302.462 3.061 10 0 DGAEMP CC[NH+](CC)CCC[NH2+][C@@H](C)c1ccc(OC)c(NC(C)=O)c1 ZINC000131451245 196169931 /nfs/dbraw/zinc/16/99/31/196169931.db2.gz WDVJPVPDCNANFF-AWEZNQCLSA-N 2 1 321.465 3.036 10 0 DGAEMP CC1=CCC[C@H](C)[C@@H]1C[NH+]1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000191066778 432218180 /nfs/dbraw/zinc/21/81/80/432218180.db2.gz OFGLVCMSRITILX-SLFFLAALSA-N 2 1 319.537 3.081 10 0 DGAEMP CCOc1cc(CN2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)ccc1OC ZINC000247273475 432218778 /nfs/dbraw/zinc/21/87/78/432218778.db2.gz YEORKHBJEMVRKG-DLBZAZTESA-N 2 1 318.461 3.010 10 0 DGAEMP CCOc1cc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)ccc1OC ZINC000247273475 432218780 /nfs/dbraw/zinc/21/87/80/432218780.db2.gz YEORKHBJEMVRKG-DLBZAZTESA-N 2 1 318.461 3.010 10 0 DGAEMP CCOc1cc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)ccc1OC ZINC000247273475 432218784 /nfs/dbraw/zinc/21/87/84/432218784.db2.gz YEORKHBJEMVRKG-DLBZAZTESA-N 2 1 318.461 3.010 10 0 DGAEMP CCOc1cc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)ccc1OC ZINC000247273475 432218786 /nfs/dbraw/zinc/21/87/86/432218786.db2.gz YEORKHBJEMVRKG-DLBZAZTESA-N 2 1 318.461 3.010 10 0 DGAEMP CCOc1cc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)ccc1OC ZINC000247273475 432218789 /nfs/dbraw/zinc/21/87/89/432218789.db2.gz YEORKHBJEMVRKG-DLBZAZTESA-N 2 1 318.461 3.010 10 0 DGAEMP CC[C@](C)(C[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)OC ZINC000319950274 263899592 /nfs/dbraw/zinc/89/95/92/263899592.db2.gz VDQOAVIHXRUDHI-VNTMZGSJSA-N 2 1 316.489 3.302 10 0 DGAEMP Cc1cccc(NC[C@@H]2CC[N@H+](C[C@H](O)C3CCCCC3)C2)[nH+]1 ZINC000191325031 432251329 /nfs/dbraw/zinc/25/13/29/432251329.db2.gz SCNJVDASAGVIGV-WMZOPIPTSA-N 2 1 317.477 3.065 10 0 DGAEMP Cc1cccc(NC[C@@H]2CC[N@@H+](C[C@H](O)C3CCCCC3)C2)[nH+]1 ZINC000191325031 432251334 /nfs/dbraw/zinc/25/13/34/432251334.db2.gz SCNJVDASAGVIGV-WMZOPIPTSA-N 2 1 317.477 3.065 10 0 DGAEMP Cc1cccc(NC[C@H]2CC[N@H+](C[C@H](O)CC3CCCC3)C2)[nH+]1 ZINC000191325004 432251425 /nfs/dbraw/zinc/25/14/25/432251425.db2.gz DPXVSAYXTFZRPF-QZTJIDSGSA-N 2 1 317.477 3.065 10 0 DGAEMP Cc1cccc(NC[C@H]2CC[N@@H+](C[C@H](O)CC3CCCC3)C2)[nH+]1 ZINC000191325004 432251428 /nfs/dbraw/zinc/25/14/28/432251428.db2.gz DPXVSAYXTFZRPF-QZTJIDSGSA-N 2 1 317.477 3.065 10 0 DGAEMP CC(C)c1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)cc1 ZINC000261837694 275740867 /nfs/dbraw/zinc/74/08/67/275740867.db2.gz ACGWFOQBUHJHHI-QRVBRYPASA-N 2 1 302.462 3.057 10 0 DGAEMP CC(C)c1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)cc1 ZINC000261837686 275740938 /nfs/dbraw/zinc/74/09/38/275740938.db2.gz ACGWFOQBUHJHHI-IPMKNSEASA-N 2 1 302.462 3.057 10 0 DGAEMP C[C@H]1C[C@@H]([NH+](C)CCC(=O)Nc2cccc(Cl)c2)CC[N@@H+]1C ZINC000123734981 431872944 /nfs/dbraw/zinc/87/29/44/431872944.db2.gz OPKGISLLWUMYEM-BBRMVZONSA-N 2 1 323.868 3.083 10 0 DGAEMP C[C@H]1C[C@@H]([NH+](C)CCC(=O)Nc2cccc(Cl)c2)CC[N@H+]1C ZINC000123734981 431872947 /nfs/dbraw/zinc/87/29/47/431872947.db2.gz OPKGISLLWUMYEM-BBRMVZONSA-N 2 1 323.868 3.083 10 0 DGAEMP C[C@H]1C[C@@H]([N@H+](C)CCC(=O)Nc2cccc(Cl)c2)CC[NH+]1C ZINC000123734981 431872948 /nfs/dbraw/zinc/87/29/48/431872948.db2.gz OPKGISLLWUMYEM-BBRMVZONSA-N 2 1 323.868 3.083 10 0 DGAEMP C[C@H]1C[C@@H]([N@@H+](C)CCC(=O)Nc2cccc(Cl)c2)CC[NH+]1C ZINC000123734981 431872949 /nfs/dbraw/zinc/87/29/49/431872949.db2.gz OPKGISLLWUMYEM-BBRMVZONSA-N 2 1 323.868 3.083 10 0 DGAEMP CSc1ccc(OCC[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)cc1 ZINC000248065997 432267365 /nfs/dbraw/zinc/26/73/65/432267365.db2.gz MGBAXVPAMABZCH-MAUKXSAKSA-N 2 1 320.502 3.203 10 0 DGAEMP CSc1ccc(OCC[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)cc1 ZINC000248065997 432267368 /nfs/dbraw/zinc/26/73/68/432267368.db2.gz MGBAXVPAMABZCH-MAUKXSAKSA-N 2 1 320.502 3.203 10 0 DGAEMP CSc1ccc(OCC[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)cc1 ZINC000248065997 432267372 /nfs/dbraw/zinc/26/73/72/432267372.db2.gz MGBAXVPAMABZCH-MAUKXSAKSA-N 2 1 320.502 3.203 10 0 DGAEMP COc1c(C)c[nH+]c(CN2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)c1C ZINC000173944263 432310709 /nfs/dbraw/zinc/31/07/09/432310709.db2.gz MOMZUDFAUSPAOV-SJORKVTESA-N 2 1 317.477 3.154 10 0 DGAEMP COc1c(C)c[nH+]c(CN2CC[C@H]3CC[C@@H](C2)[N@H+]3C(C)C)c1C ZINC000173944263 432310710 /nfs/dbraw/zinc/31/07/10/432310710.db2.gz MOMZUDFAUSPAOV-SJORKVTESA-N 2 1 317.477 3.154 10 0 DGAEMP O[C@H](CNc1cc[nH+]c2ccc(Cl)cc12)C[NH+]1CCCCC1 ZINC000174685069 432364525 /nfs/dbraw/zinc/36/45/25/432364525.db2.gz RVBVWUGAXXTBPU-CQSZACIVSA-N 2 1 319.836 3.147 10 0 DGAEMP C[N@H+](Cc1ccc(OC(F)(F)F)cc1)C[C@@]1(C)CC[NH2+]C1 ZINC000261756231 432447760 /nfs/dbraw/zinc/44/77/60/432447760.db2.gz KRGIBILZNDIFDC-AWEZNQCLSA-N 2 1 302.340 3.017 10 0 DGAEMP C[N@@H+](Cc1ccc(OC(F)(F)F)cc1)C[C@@]1(C)CC[NH2+]C1 ZINC000261756231 432447762 /nfs/dbraw/zinc/44/77/62/432447762.db2.gz KRGIBILZNDIFDC-AWEZNQCLSA-N 2 1 302.340 3.017 10 0 DGAEMP CCCOc1ccc(OCC[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000261808043 432452357 /nfs/dbraw/zinc/45/23/57/432452357.db2.gz VIGOUKJIMYTZHT-SJPCQFCGSA-N 2 1 318.461 3.069 10 0 DGAEMP Cc1nc2ccc(C[N@H+](C)C3C[C@H]4CC[C@@H](C3)[NH2+]4)cc2s1 ZINC000261815133 432452530 /nfs/dbraw/zinc/45/25/30/432452530.db2.gz HYNBPMPGQZUTCF-YIONKMFJSA-N 2 1 301.459 3.320 10 0 DGAEMP C[N@@H+](Cc1ccc(OC(F)(F)F)cc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000262003625 432467909 /nfs/dbraw/zinc/46/79/09/432467909.db2.gz VOEPNPRUBHSCMF-PBWFPOADSA-N 2 1 314.351 3.300 10 0 DGAEMP Cn1ccc(C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)c1 ZINC000272503163 432514589 /nfs/dbraw/zinc/51/45/89/432514589.db2.gz FBJMVMXNXSFMAM-HSALFYBXSA-N 2 1 309.457 3.025 10 0 DGAEMP C[C@H]1C[C@@H]([NH+](C)Cc2cccc(Br)c2)CC[N@@H+]1C ZINC000177059329 432580727 /nfs/dbraw/zinc/58/07/27/432580727.db2.gz KJKRGAWHIKMKQI-WFASDCNBSA-N 2 1 311.267 3.364 10 0 DGAEMP C[C@H]1C[C@@H]([NH+](C)Cc2cccc(Br)c2)CC[N@H+]1C ZINC000177059329 432580730 /nfs/dbraw/zinc/58/07/30/432580730.db2.gz KJKRGAWHIKMKQI-WFASDCNBSA-N 2 1 311.267 3.364 10 0 DGAEMP C[C@H]1C[C@@H]([N@H+](C)Cc2cccc(Br)c2)CC[NH+]1C ZINC000177059329 432580733 /nfs/dbraw/zinc/58/07/33/432580733.db2.gz KJKRGAWHIKMKQI-WFASDCNBSA-N 2 1 311.267 3.364 10 0 DGAEMP C[C@H]1C[C@@H]([N@@H+](C)Cc2cccc(Br)c2)CC[NH+]1C ZINC000177059329 432580736 /nfs/dbraw/zinc/58/07/36/432580736.db2.gz KJKRGAWHIKMKQI-WFASDCNBSA-N 2 1 311.267 3.364 10 0 DGAEMP CC[C@H]([NH2+]C1CC[NH+](CC2CCCC2)CC1)c1cnn(C)c1 ZINC000178157998 432699831 /nfs/dbraw/zinc/69/98/31/432699831.db2.gz SEUNBVPDBRMKLI-SFHVURJKSA-N 2 1 304.482 3.115 10 0 DGAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CCOc1ccccc1Cl ZINC000178292320 432716390 /nfs/dbraw/zinc/71/63/90/432716390.db2.gz KCTQXOPHWXMYNW-HNNXBMFYSA-N 2 1 319.836 3.388 10 0 DGAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CCOc1ccccc1Cl ZINC000178292320 432716394 /nfs/dbraw/zinc/71/63/94/432716394.db2.gz KCTQXOPHWXMYNW-HNNXBMFYSA-N 2 1 319.836 3.388 10 0 DGAEMP COC[C@H](C)C[NH2+]Cc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000187667392 432677104 /nfs/dbraw/zinc/67/71/04/432677104.db2.gz JGDIYQVDPNOSMT-IAGOWNOFSA-N 2 1 304.478 3.291 10 0 DGAEMP CCC[C@@H](C(=O)Nc1cccc2c1C[N@@H+](CC(C)C)C2)[NH+](C)C ZINC000162185283 432816070 /nfs/dbraw/zinc/81/60/70/432816070.db2.gz LUOHMJPDCCJYNY-SFHVURJKSA-N 2 1 317.477 3.327 10 0 DGAEMP CC[N@H+]1CC[C@@H]([NH+](C)CCOc2ccccc2Cl)[C@@H](C)C1 ZINC000245420963 432829201 /nfs/dbraw/zinc/82/92/01/432829201.db2.gz HSIHCFFKFQDOOJ-GOEBONIOSA-N 2 1 310.869 3.381 10 0 DGAEMP CC[NH+]1CC[C@@H]([N@H+](C)CCOc2ccccc2Cl)[C@@H](C)C1 ZINC000245420963 432829203 /nfs/dbraw/zinc/82/92/03/432829203.db2.gz HSIHCFFKFQDOOJ-GOEBONIOSA-N 2 1 310.869 3.381 10 0 DGAEMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(-n3cccn3)cc2)[C@@H](C)C1 ZINC000245440370 432832388 /nfs/dbraw/zinc/83/23/88/432832388.db2.gz UMMBGKWFQUKXEG-LPHOPBHVSA-N 2 1 312.461 3.034 10 0 DGAEMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(-n3cccn3)cc2)[C@@H](C)C1 ZINC000245440370 432832391 /nfs/dbraw/zinc/83/23/91/432832391.db2.gz UMMBGKWFQUKXEG-LPHOPBHVSA-N 2 1 312.461 3.034 10 0 DGAEMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(-n3cccn3)cc2)[C@@H](C)C1 ZINC000245440370 432832395 /nfs/dbraw/zinc/83/23/95/432832395.db2.gz UMMBGKWFQUKXEG-LPHOPBHVSA-N 2 1 312.461 3.034 10 0 DGAEMP Cc1[nH+]ccn1CCCC[N@H+]1C[C@H](c2ccccc2)OC[C@H]1C ZINC000245585039 432847500 /nfs/dbraw/zinc/84/75/00/432847500.db2.gz DRNVPDGWFIRAMF-VQIMIIECSA-N 2 1 313.445 3.434 10 0 DGAEMP Cc1[nH+]ccn1CCCC[N@@H+]1C[C@H](c2ccccc2)OC[C@H]1C ZINC000245585039 432847502 /nfs/dbraw/zinc/84/75/02/432847502.db2.gz DRNVPDGWFIRAMF-VQIMIIECSA-N 2 1 313.445 3.434 10 0 DGAEMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+][C@H]1CCCN(c2ccccc2F)C1 ZINC000245580759 432848137 /nfs/dbraw/zinc/84/81/37/432848137.db2.gz GZTLEZIUPPSNOR-XLMAVXFVSA-N 2 1 319.468 3.113 10 0 DGAEMP Cc1cccc(Cl)c1NC(=O)CN(C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000245693629 432856898 /nfs/dbraw/zinc/85/68/98/432856898.db2.gz UZVVVHRNRHBSRD-KBPBESRZSA-N 2 1 323.868 3.001 10 0 DGAEMP c1ccc2cc(OCC[N@@H+]3CCC[C@@]4(CC[NH2+]C4)C3)ccc2c1 ZINC000420364033 433180605 /nfs/dbraw/zinc/18/06/05/433180605.db2.gz IFWRKNAZDHWOGE-FQEVSTJZSA-N 2 1 310.441 3.294 10 0 DGAEMP c1ccc2cc(OCC[N@H+]3CCC[C@@]4(CC[NH2+]C4)C3)ccc2c1 ZINC000420364033 433180617 /nfs/dbraw/zinc/18/06/17/433180617.db2.gz IFWRKNAZDHWOGE-FQEVSTJZSA-N 2 1 310.441 3.294 10 0 DGAEMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H]1CCC[C@H](O)C1 ZINC000361887408 433436759 /nfs/dbraw/zinc/43/67/59/433436759.db2.gz OUALOBGGHYJDEW-GTAWCEEGSA-N 2 1 316.489 3.038 10 0 DGAEMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1CCC(CO)CC1 ZINC000361980143 433478546 /nfs/dbraw/zinc/47/85/46/433478546.db2.gz HOOWNPQGTCMDDM-ACAXCVFMSA-N 2 1 316.489 3.038 10 0 DGAEMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1CCC(CO)CC1 ZINC000361980143 433478555 /nfs/dbraw/zinc/47/85/55/433478555.db2.gz HOOWNPQGTCMDDM-ACAXCVFMSA-N 2 1 316.489 3.038 10 0 DGAEMP C[C@@H]1C[C@@H](C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)C[C@H](C)O1 ZINC000282160987 433514160 /nfs/dbraw/zinc/51/41/60/433514160.db2.gz IMCGTMDUPYNHOX-IZZQQSIFSA-N 2 1 316.489 3.444 10 0 DGAEMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCCOC(F)F ZINC000367181548 293035152 /nfs/dbraw/zinc/03/51/52/293035152.db2.gz YUWKRQOYCINBCI-ZBFHGGJFSA-N 2 1 312.404 3.116 10 0 DGAEMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCCOC(F)F ZINC000367181548 293035155 /nfs/dbraw/zinc/03/51/55/293035155.db2.gz YUWKRQOYCINBCI-ZBFHGGJFSA-N 2 1 312.404 3.116 10 0 DGAEMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)[C@H](C)O1 ZINC000449155920 433727863 /nfs/dbraw/zinc/72/78/63/433727863.db2.gz CLYAARSUJQZPIR-MDLJMBGESA-N 2 1 308.491 3.287 10 0 DGAEMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)[C@H](C)O1 ZINC000449155920 433727869 /nfs/dbraw/zinc/72/78/69/433727869.db2.gz CLYAARSUJQZPIR-MDLJMBGESA-N 2 1 308.491 3.287 10 0 DGAEMP c1ccc([C@H]2CC[C@H](C[NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)O2)cc1 ZINC000377579099 433918534 /nfs/dbraw/zinc/91/85/34/433918534.db2.gz HYGCPDAWXKRZAD-FCGDIQPGSA-N 2 1 300.446 3.123 10 0 DGAEMP COc1ccc(F)c(C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)c1 ZINC000294155995 434018566 /nfs/dbraw/zinc/01/85/66/434018566.db2.gz IIFMGZWQABRAOD-OAHLLOKOSA-N 2 1 303.381 3.004 10 0 DGAEMP COc1ccc(F)c(C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)c1 ZINC000294155995 434018571 /nfs/dbraw/zinc/01/85/71/434018571.db2.gz IIFMGZWQABRAOD-OAHLLOKOSA-N 2 1 303.381 3.004 10 0 DGAEMP c1c[nH]c([C@@H]2CCCC[N@@H+]2Cc2cc(-n3ccnc3)cs2)n1 ZINC000346208804 434203398 /nfs/dbraw/zinc/20/33/98/434203398.db2.gz NCULYCXYXPNSPR-HNNXBMFYSA-N 2 1 313.430 3.384 10 0 DGAEMP c1c2c(cc3c1OCCC[C@H]3[NH2+]C1CC[NH2+]CC1)CCCC2 ZINC000423182413 434268359 /nfs/dbraw/zinc/26/83/59/434268359.db2.gz KHBLCZKHPMHMPB-GOSISDBHSA-N 2 1 300.446 3.121 10 0 DGAEMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)[C@H](C)O1 ZINC000384934321 434294165 /nfs/dbraw/zinc/29/41/65/434294165.db2.gz QICCZKJMAQRDNP-YSDUZXLGSA-N 2 1 314.473 3.053 10 0 DGAEMP C[C@@H]1CC[C@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)O1 ZINC000390690434 434368413 /nfs/dbraw/zinc/36/84/13/434368413.db2.gz PJHHWVHGDFEGAB-MNIJEXPFSA-N 2 1 314.473 3.339 10 0 DGAEMP c1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH2+][C@H]4CCCOC4)[C@H]3C2)cc1 ZINC000287499926 434377348 /nfs/dbraw/zinc/37/73/48/434377348.db2.gz YKVQUBYFYHRWHX-LWYYNNOASA-N 2 1 314.473 3.056 10 0 DGAEMP c1ccc(C[N@H+]2CC[C@H]([NH2+][C@@H]3CCCOC3)[C@H]3CCC[C@H]32)cc1 ZINC000453104483 434802826 /nfs/dbraw/zinc/80/28/26/434802826.db2.gz UENOBBSDHPLOOV-YSTOQKLRSA-N 2 1 314.473 3.198 10 0 DGAEMP Cc1ccc(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)cn1 ZINC000531715159 435112531 /nfs/dbraw/zinc/11/25/31/435112531.db2.gz REUYNYAZDRAAAQ-DYESRHJHSA-N 2 1 323.484 3.433 10 0 DGAEMP Cc1ccc(CC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)cn1 ZINC000531715159 435112535 /nfs/dbraw/zinc/11/25/35/435112535.db2.gz REUYNYAZDRAAAQ-DYESRHJHSA-N 2 1 323.484 3.433 10 0 DGAEMP Cc1nccn1CCC[N@H+]1CCC[C@H](CC(=O)OC(C)(C)C)C1 ZINC000534955792 435305915 /nfs/dbraw/zinc/30/59/15/435305915.db2.gz JFQHOXGSHTURFO-MRXNPFEDSA-N 2 1 321.465 3.025 10 0 DGAEMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@H](CC(=O)OC(C)(C)C)C1 ZINC000534955792 435305918 /nfs/dbraw/zinc/30/59/18/435305918.db2.gz JFQHOXGSHTURFO-MRXNPFEDSA-N 2 1 321.465 3.025 10 0 DGAEMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@H](CC(=O)OC(C)(C)C)C1 ZINC000534955792 435305923 /nfs/dbraw/zinc/30/59/23/435305923.db2.gz JFQHOXGSHTURFO-MRXNPFEDSA-N 2 1 321.465 3.025 10 0 DGAEMP CC[C@H](C)[C@](C)(O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000482951802 435488952 /nfs/dbraw/zinc/48/89/52/435488952.db2.gz AYFLCWVQTTZPFJ-RAUXBKROSA-N 2 1 318.505 3.284 10 0 DGAEMP C[C@@H](CCC(C)(C)C)[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000551525677 435840495 /nfs/dbraw/zinc/84/04/95/435840495.db2.gz KWKADIQZTUHOHL-FXAWDEMLSA-N 2 1 318.505 3.428 10 0 DGAEMP C[C@@H](CCC(C)(C)C)[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000551525677 435840501 /nfs/dbraw/zinc/84/05/01/435840501.db2.gz KWKADIQZTUHOHL-FXAWDEMLSA-N 2 1 318.505 3.428 10 0 DGAEMP Brc1c[nH+]ccc1N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000656609562 435983047 /nfs/dbraw/zinc/98/30/47/435983047.db2.gz QGCGPLLZVKZRIY-ZDUSSCGKSA-N 2 1 324.266 3.060 10 0 DGAEMP CC1CCC(C[NH+]2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)CC1 ZINC000182570476 323305190 /nfs/dbraw/zinc/30/51/90/323305190.db2.gz PHEHCQWXVPDUKL-PFNPZRIDSA-N 2 1 319.537 3.056 10 0 DGAEMP c1cc2c(cc1C[N@H+](C[C@H]1CCCO1)C1CCCC1)C[NH2+]CC2 ZINC000584355561 336090680 /nfs/dbraw/zinc/09/06/80/336090680.db2.gz BMRRTLPTGVNLKO-HXUWFJFHSA-N 2 1 314.473 3.256 10 0 DGAEMP CC[N@H+]1CC[C@@H]([NH+](C)CCCOCCc2ccccc2)[C@H](C)C1 ZINC000175719352 527753988 /nfs/dbraw/zinc/75/39/88/527753988.db2.gz SPQBKGSYYNJRGQ-UYAOXDASSA-N 2 1 318.505 3.298 10 0 DGAEMP CC[NH+]1CC[C@@H]([N@H+](C)CCCOCCc2ccccc2)[C@H](C)C1 ZINC000175719352 527753994 /nfs/dbraw/zinc/75/39/94/527753994.db2.gz SPQBKGSYYNJRGQ-UYAOXDASSA-N 2 1 318.505 3.298 10 0 DGAEMP CC[NH+]1CC[C@@H]([N@@H+](C)CCCOCCc2ccccc2)[C@H](C)C1 ZINC000175719352 527753999 /nfs/dbraw/zinc/75/39/99/527753999.db2.gz SPQBKGSYYNJRGQ-UYAOXDASSA-N 2 1 318.505 3.298 10 0 DGAEMP c1ccc(C[N@@H+]2CCCC[C@H](C[NH2+][C@H]3CCCOC3)C2)cc1 ZINC000336716386 546517468 /nfs/dbraw/zinc/51/74/68/546517468.db2.gz PFHFPKBYVDPLII-MOPGFXCFSA-N 2 1 302.462 3.057 10 0 DGAEMP C[C@@H]([NH2+]C1CCC(C)(O)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000703008636 660754924 /nfs/dbraw/zinc/75/49/24/660754924.db2.gz GHAZMIOWRSICRD-OVZGMEQFSA-N 2 1 316.489 3.180 10 0 DGAEMP c1ccc(C[NH+]2CCC([NH2+]CC[C@H]3CCSC3)CC2)cc1 ZINC000704848675 660822693 /nfs/dbraw/zinc/82/26/93/660822693.db2.gz ZTRCGRKCORSUSU-KRWDZBQOSA-N 2 1 304.503 3.384 10 0 DGAEMP C[C@H]([NH2+]C[C@]1(C)CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCCCO1 ZINC000705995617 660841268 /nfs/dbraw/zinc/84/12/68/660841268.db2.gz UZNOKAWXGXPOKZ-IHPCNDPISA-N 2 1 316.489 3.446 10 0 DGAEMP CS[C@H](C)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716625108 661224935 /nfs/dbraw/zinc/22/49/35/661224935.db2.gz LQKXOSOUPHKSBY-SPUZQDLCSA-N 2 1 304.503 3.381 10 0 DGAEMP CSC[C@H](C)[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716624076 661225197 /nfs/dbraw/zinc/22/51/97/661225197.db2.gz DBHCXYKVJLMBJT-DKIMLUQUSA-N 2 1 304.503 3.381 10 0 DGAEMP C[C@H]([NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2)[C@@H]1CCCO1 ZINC000716662776 661226156 /nfs/dbraw/zinc/22/61/56/661226156.db2.gz PZMZIWLQRBSUQK-UVBQOVKKSA-N 2 1 314.473 3.197 10 0 DGAEMP C[C@@H]1CC[C@H](C[NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)O1 ZINC000716683833 661227734 /nfs/dbraw/zinc/22/77/34/661227734.db2.gz SPNYNDCGCYCRSK-MTEHYEEQSA-N 2 1 314.473 3.197 10 0 DGAEMP CC[C@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)[C@H]1CCCOC1 ZINC000723950820 656504977 /nfs/dbraw/zinc/50/49/77/656504977.db2.gz KGMAGNUQWCYFDW-ICSRJNTNSA-N 2 1 316.489 3.446 10 0 DGAEMP C[C@H]([NH2+]Cc1cc(Br)ccc1Cl)[C@H]1CC[NH2+]C1 ZINC000722376629 656614936 /nfs/dbraw/zinc/61/49/36/656614936.db2.gz JAQRMWDZMDUDCN-UWVGGRQHSA-N 2 1 317.658 3.190 10 0 DGAEMP Cc1nc2ccc(C[N@H+]3CCC4(C3)CC[NH2+]CC4)cc2s1 ZINC000261925864 657197883 /nfs/dbraw/zinc/19/78/83/657197883.db2.gz CEBUDJIVUIOYKE-UHFFFAOYSA-N 2 1 301.459 3.180 10 0 DGAEMP c1cc(C[N@H+](CC[C@@H]2CCOC2)[C@@H]2CC23CC[NH2+]CC3)cs1 ZINC000261999325 657278989 /nfs/dbraw/zinc/27/89/89/657278989.db2.gz TXNHYCNVRQRIIY-NVXWUHKLSA-N 2 1 320.502 3.119 10 0 DGAEMP Cc1cc(C)cc([C@@H](O)C[N@H+](C)CC[C@@H]2CCCC[NH+]2C)c1 ZINC000173949248 659406190 /nfs/dbraw/zinc/40/61/90/659406190.db2.gz NMZZAZNRFBLSOU-OALUTQOASA-N 2 1 304.478 3.143 10 0 DGAEMP Cc1cc(C)cc([C@@H](O)C[N@@H+](C)CC[C@@H]2CCCC[NH+]2C)c1 ZINC000173949248 659406192 /nfs/dbraw/zinc/40/61/92/659406192.db2.gz NMZZAZNRFBLSOU-OALUTQOASA-N 2 1 304.478 3.143 10 0 DGAEMP Cc1cc(C)cc([C@@H](O)C[NH+](C)CC[C@@H]2CCCC[N@@H+]2C)c1 ZINC000173949248 659406193 /nfs/dbraw/zinc/40/61/93/659406193.db2.gz NMZZAZNRFBLSOU-OALUTQOASA-N 2 1 304.478 3.143 10 0 DGAEMP Cc1cc(C)cc([C@@H](O)C[NH+](C)CC[C@@H]2CCCC[N@H+]2C)c1 ZINC000173949248 659406195 /nfs/dbraw/zinc/40/61/95/659406195.db2.gz NMZZAZNRFBLSOU-OALUTQOASA-N 2 1 304.478 3.143 10 0 DGAEMP C[C@H]([NH2+]CCc1c[nH+]cn1C)c1ccc(C(F)(F)F)s1 ZINC000718012963 662214208 /nfs/dbraw/zinc/21/42/08/662214208.db2.gz HLQZYMNDLHZOAH-VIFPVBQESA-N 2 1 303.353 3.394 10 0 DGAEMP C[C@@H](COCc1ccccc1)C[N@H+]1CC[NH2+]CCC12CCC2 ZINC000719398105 662281655 /nfs/dbraw/zinc/28/16/55/662281655.db2.gz LMWGZHXJSWESOL-QGZVFWFLSA-N 2 1 302.462 3.057 10 0 DGAEMP CO[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000379654775 685148617 /nfs/dbraw/zinc/14/86/17/685148617.db2.gz JPIKEASACYKFMY-DSLXNQLJSA-N 2 1 302.462 3.197 10 0 DGAEMP CO[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000379654775 685148623 /nfs/dbraw/zinc/14/86/23/685148623.db2.gz JPIKEASACYKFMY-DSLXNQLJSA-N 2 1 302.462 3.197 10 0 DGAEMP COC(C)(C)[C@H](C)[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000381774802 685159610 /nfs/dbraw/zinc/15/96/10/685159610.db2.gz ADVGTWXTKCYPJN-BQFCYCMXSA-N 2 1 304.478 3.300 10 0 DGAEMP COCc1cccc(C[NH2+]CCC[N@@H+](C)Cc2ccccc2)c1 ZINC000393442993 1197719538 /nfs/dbraw/zinc/71/95/38/1197719538.db2.gz XNGIWKKILBNRKL-UHFFFAOYSA-N 2 1 312.457 3.445 10 0 DGAEMP C=CCOc1ccc(C[NH2+]CCC[NH+]2CCCC2)cc1Cl ZINC000237694873 1202689811 /nfs/dbraw/zinc/68/98/11/1202689811.db2.gz PZTARSBMYMAGTE-UHFFFAOYSA-N 2 1 308.853 3.480 10 0 DGAEMP Cc1ccccc1[C@H](C)[NH+]1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000130622815 432027760 /nfs/dbraw/zinc/02/77/60/432027760.db2.gz LQPNWSMSYTUGIL-OALUTQOASA-N 2 1 315.505 3.158 10 0 DGAEMP Cc1ccccc1[C@H](C)[NH+]1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000130623285 432028141 /nfs/dbraw/zinc/02/81/41/432028141.db2.gz LQPNWSMSYTUGIL-RBUKOAKNSA-N 2 1 315.505 3.158 10 0 DGAEMP c1c(C[N@@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)[nH]nc1-c1ccccc1 ZINC000415032273 237019452 /nfs/dbraw/zinc/01/94/52/237019452.db2.gz AAQABOPCYMNSHJ-APWZRJJASA-N 2 1 310.445 3.041 10 0 DGAEMP c1c(C[N@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)[nH]nc1-c1ccccc1 ZINC000415032273 237019463 /nfs/dbraw/zinc/01/94/63/237019463.db2.gz AAQABOPCYMNSHJ-APWZRJJASA-N 2 1 310.445 3.041 10 0 DGAEMP c1c(C[N@@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)[nH]nc1-c1ccccc1 ZINC000415032275 237019988 /nfs/dbraw/zinc/01/99/88/237019988.db2.gz AAQABOPCYMNSHJ-LPHOPBHVSA-N 2 1 310.445 3.041 10 0 DGAEMP c1c(C[N@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)[nH]nc1-c1ccccc1 ZINC000415032275 237019998 /nfs/dbraw/zinc/01/99/98/237019998.db2.gz AAQABOPCYMNSHJ-LPHOPBHVSA-N 2 1 310.445 3.041 10 0 DGAEMP CC(C)OC(=O)c1ccc(C[N@H+](C)[C@@H]2CCN(C)[C@H](C)C2)cc1 ZINC000135123443 432099668 /nfs/dbraw/zinc/09/96/68/432099668.db2.gz QFYKWNQTFZOHNE-CRAIPNDOSA-N 2 1 318.461 3.166 10 0 DGAEMP CC(C)OC(=O)c1ccc(C[N@@H+](C)[C@@H]2CCN(C)[C@H](C)C2)cc1 ZINC000135123443 432099671 /nfs/dbraw/zinc/09/96/71/432099671.db2.gz QFYKWNQTFZOHNE-CRAIPNDOSA-N 2 1 318.461 3.166 10 0 DGAEMP Cc1ccc(CC[NH+]2CC[C@H](C[N@@H+](C)Cc3cccnc3)C2)cc1 ZINC000195279200 201373415 /nfs/dbraw/zinc/37/34/15/201373415.db2.gz DKBMEPIPDSHVBK-OAQYLSRUSA-N 2 1 323.484 3.386 10 0 DGAEMP Cc1ccc(CC[NH+]2CC[C@H](C[N@H+](C)Cc3cccnc3)C2)cc1 ZINC000195279200 201373418 /nfs/dbraw/zinc/37/34/18/201373418.db2.gz DKBMEPIPDSHVBK-OAQYLSRUSA-N 2 1 323.484 3.386 10 0 DGAEMP Cc1ccc(CC[N@H+]2CC[C@H](C[NH+](C)Cc3cccnc3)C2)cc1 ZINC000195279200 201373420 /nfs/dbraw/zinc/37/34/20/201373420.db2.gz DKBMEPIPDSHVBK-OAQYLSRUSA-N 2 1 323.484 3.386 10 0 DGAEMP Cc1ccc(CC[N@@H+]2CC[C@H](C[NH+](C)Cc3cccnc3)C2)cc1 ZINC000195279200 201373424 /nfs/dbraw/zinc/37/34/24/201373424.db2.gz DKBMEPIPDSHVBK-OAQYLSRUSA-N 2 1 323.484 3.386 10 0 DGAEMP C[C@@H]1CCC[C@H](CC[NH+]2CCN(C[C@H]3CCCC[N@H+]3C)CC2)C1 ZINC000246203384 432107629 /nfs/dbraw/zinc/10/76/29/432107629.db2.gz JJZMNZULLRGTNZ-VAMGGRTRSA-N 2 1 321.553 3.305 10 0 DGAEMP CC(C)Cc1ncc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)s1 ZINC000092043725 193146776 /nfs/dbraw/zinc/14/67/76/193146776.db2.gz KKOHSBQKSXBOMD-ZBFHGGJFSA-N 2 1 307.507 3.258 10 0 DGAEMP CC(C)Cc1ncc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)s1 ZINC000092043725 193146778 /nfs/dbraw/zinc/14/67/78/193146778.db2.gz KKOHSBQKSXBOMD-ZBFHGGJFSA-N 2 1 307.507 3.258 10 0 DGAEMP CC(C)Cc1ncc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)s1 ZINC000092043725 193146780 /nfs/dbraw/zinc/14/67/80/193146780.db2.gz KKOHSBQKSXBOMD-ZBFHGGJFSA-N 2 1 307.507 3.258 10 0 DGAEMP CC(C)Cc1ncc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C)C2)s1 ZINC000092043725 193146782 /nfs/dbraw/zinc/14/67/82/193146782.db2.gz KKOHSBQKSXBOMD-ZBFHGGJFSA-N 2 1 307.507 3.258 10 0 DGAEMP C[N@H+]1CCC[C@H](CNCc2ccc(Br)c(F)c2)C1 ZINC000127456209 284340443 /nfs/dbraw/zinc/34/04/43/284340443.db2.gz WYOHXLHFOGXWMC-GFCCVEGCSA-N 2 1 315.230 3.020 10 0 DGAEMP C[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc(Br)c(F)c2)C1 ZINC000127456209 284340445 /nfs/dbraw/zinc/34/04/45/284340445.db2.gz WYOHXLHFOGXWMC-GFCCVEGCSA-N 2 1 315.230 3.020 10 0 DGAEMP C[N@H+](Cc1cc(Br)cs1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000042287840 183250044 /nfs/dbraw/zinc/25/00/44/183250044.db2.gz XZUSQVPDQXIFSY-FOSCPWQOSA-N 2 1 315.280 3.225 10 0 DGAEMP C[N@@H+](Cc1cc(Br)cs1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000042287840 183250046 /nfs/dbraw/zinc/25/00/46/183250046.db2.gz XZUSQVPDQXIFSY-FOSCPWQOSA-N 2 1 315.280 3.225 10 0 DGAEMP CC(C)c1[nH+]ccn1[C@@H](C[NH3+])c1ccc(Br)cc1 ZINC000042955978 183322958 /nfs/dbraw/zinc/32/29/58/183322958.db2.gz UQZROVVYDQKNHX-ZDUSSCGKSA-N 2 1 308.223 3.317 10 0 DGAEMP CC[C@@H]([NH3+])[C@@H](c1ccccc1Br)n1cc[nH+]c1C ZINC000043093688 183337049 /nfs/dbraw/zinc/33/70/49/183337049.db2.gz OKGJRGDIFNOQIE-ZIAGYGMSSA-N 2 1 308.223 3.281 10 0 DGAEMP COc1cc([C@@H](C)[NH2+]C[C@H](C)Cn2cc[nH+]c2C)ccc1F ZINC000153586472 284679629 /nfs/dbraw/zinc/67/96/29/284679629.db2.gz WLALBZIUCJBWPL-QWHCGFSZSA-N 2 1 305.397 3.326 10 0 DGAEMP Brc1ccc(C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)o1 ZINC000063197538 184277951 /nfs/dbraw/zinc/27/79/51/184277951.db2.gz DTYCGYUKLLDJSZ-CYBMUJFWSA-N 2 1 313.239 3.006 10 0 DGAEMP CC[C@@H]1CCC[C@H](C[N@@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)C1 ZINC000248487362 285001549 /nfs/dbraw/zinc/00/15/49/285001549.db2.gz LSJPZNMKAPRJPZ-SCTDSRPQSA-N 2 1 310.526 3.227 10 0 DGAEMP Cc1nccnc1[C@H](C)N[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000249193799 285062748 /nfs/dbraw/zinc/06/27/48/285062748.db2.gz PLKHFDPHTAMXQC-BPUTZDHNSA-N 2 1 302.466 3.089 10 0 DGAEMP Cc1nccnc1[C@H](C)[NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000249193799 285062752 /nfs/dbraw/zinc/06/27/52/285062752.db2.gz PLKHFDPHTAMXQC-BPUTZDHNSA-N 2 1 302.466 3.089 10 0 DGAEMP Cc1nccnc1[C@H](C)[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000249193799 285062755 /nfs/dbraw/zinc/06/27/55/285062755.db2.gz PLKHFDPHTAMXQC-BPUTZDHNSA-N 2 1 302.466 3.089 10 0 DGAEMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCOC2(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000294678410 224162330 /nfs/dbraw/zinc/16/23/30/224162330.db2.gz IAAQYAKIMFBRNJ-NJAFHUGGSA-N 2 1 302.462 3.197 10 0 DGAEMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCOC2(C)C)CC[N@H+]1Cc1ccccc1 ZINC000294678410 224162333 /nfs/dbraw/zinc/16/23/33/224162333.db2.gz IAAQYAKIMFBRNJ-NJAFHUGGSA-N 2 1 302.462 3.197 10 0 DGAEMP CC1CCC(C[N@@H+](Cc2cncnc2)[C@@H]2CCC[NH2+]CC2)CC1 ZINC000328638992 400184209 /nfs/dbraw/zinc/18/42/09/400184209.db2.gz PHYRPRFTEABYNC-FAFZWHIHSA-N 2 1 316.493 3.247 10 0 DGAEMP CCSCC[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000393905883 400279996 /nfs/dbraw/zinc/27/99/96/400279996.db2.gz MJDLAJRUYWENCN-OKZBNKHCSA-N 2 1 304.503 3.240 10 0 DGAEMP COc1ccc([C@@H]2[C@@H]3C[N@H+](C)C[C@H]3C[NH+]2Cc2ccccc2)cc1 ZINC000409430776 400301324 /nfs/dbraw/zinc/30/13/24/400301324.db2.gz NGGDENQKQQBPEO-CEWLAPEOSA-N 2 1 322.452 3.430 10 0 DGAEMP COc1ccc([C@@H]2[C@@H]3C[N@@H+](C)C[C@H]3C[NH+]2Cc2ccccc2)cc1 ZINC000409430776 400301328 /nfs/dbraw/zinc/30/13/28/400301328.db2.gz NGGDENQKQQBPEO-CEWLAPEOSA-N 2 1 322.452 3.430 10 0 DGAEMP COc1ccc([C@@H]2[C@@H]3C[NH+](C)C[C@H]3C[N@@H+]2Cc2ccccc2)cc1 ZINC000409430776 400301333 /nfs/dbraw/zinc/30/13/33/400301333.db2.gz NGGDENQKQQBPEO-CEWLAPEOSA-N 2 1 322.452 3.430 10 0 DGAEMP COc1ccc([C@@H]2[C@@H]3C[NH+](C)C[C@H]3C[N@H+]2Cc2ccccc2)cc1 ZINC000409430776 400301336 /nfs/dbraw/zinc/30/13/36/400301336.db2.gz NGGDENQKQQBPEO-CEWLAPEOSA-N 2 1 322.452 3.430 10 0 DGAEMP Cc1ccc(-c2noc(C[N@@H+]3CCC[C@@H](n4ccnc4)C3)n2)cc1 ZINC000591082509 400484674 /nfs/dbraw/zinc/48/46/74/400484674.db2.gz HIIILHNRUSCVBM-MRXNPFEDSA-N 2 1 323.400 3.079 10 0 DGAEMP Cc1ccc(-c2noc(C[N@H+]3CCC[C@@H](n4ccnc4)C3)n2)cc1 ZINC000591082509 400484682 /nfs/dbraw/zinc/48/46/82/400484682.db2.gz HIIILHNRUSCVBM-MRXNPFEDSA-N 2 1 323.400 3.079 10 0 DGAEMP Clc1ccc(COCC[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000358254373 286012035 /nfs/dbraw/zinc/01/20/35/286012035.db2.gz QICOUNHXTYGMBX-IRXDYDNUSA-N 2 1 308.853 3.073 10 0 DGAEMP COc1ccc2nc(CN(C)[C@H]3CC[N@@H+](C)[C@H](C)C3)sc2c1 ZINC000187120351 165077384 /nfs/dbraw/zinc/07/73/84/165077384.db2.gz DVURMJSWPRMEQD-OLZOCXBDSA-N 2 1 319.474 3.219 10 0 DGAEMP c1[nH]nc2cc(C[NH2+]C[C@@H]3CC[N@@H+](Cc4ccccc4)C3)ccc12 ZINC000192931669 165310747 /nfs/dbraw/zinc/31/07/47/165310747.db2.gz NIQXTSQNAYKYJS-SFHVURJKSA-N 2 1 320.440 3.175 10 0 DGAEMP C=Cn1cc(C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)cn1 ZINC000194359196 165345043 /nfs/dbraw/zinc/34/50/43/165345043.db2.gz JNLZCMQQGHVDGA-AWEZNQCLSA-N 2 1 307.401 3.329 10 0 DGAEMP Cc1cc(Cl)ccc1NC(=O)CN(C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000246742193 432160032 /nfs/dbraw/zinc/16/00/32/432160032.db2.gz MUCZTWCOLSDKMR-ZFWWWQNUSA-N 2 1 323.868 3.001 10 0 DGAEMP CC[N@H+]1CC[C@H]([NH2+]CCCCOCc2ccccc2)[C@@H](C)C1 ZINC000246846209 432173007 /nfs/dbraw/zinc/17/30/07/432173007.db2.gz BEQCRDLVJLNZMB-HKUYNNGSSA-N 2 1 304.478 3.303 10 0 DGAEMP CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000247055201 432197702 /nfs/dbraw/zinc/19/77/02/432197702.db2.gz PEISWXRPFUEFHD-QYZOEREBSA-N 2 1 309.542 3.064 10 0 DGAEMP COc1c(C)cc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)cc1C ZINC000247277563 432218515 /nfs/dbraw/zinc/21/85/15/432218515.db2.gz YKEQOSKHQQRXRW-ZWKOTPCHSA-N 2 1 302.462 3.228 10 0 DGAEMP COc1c(C)cc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)cc1C ZINC000247277563 432218519 /nfs/dbraw/zinc/21/85/19/432218519.db2.gz YKEQOSKHQQRXRW-ZWKOTPCHSA-N 2 1 302.462 3.228 10 0 DGAEMP COc1c(C)cc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)cc1C ZINC000247277563 432218524 /nfs/dbraw/zinc/21/85/24/432218524.db2.gz YKEQOSKHQQRXRW-ZWKOTPCHSA-N 2 1 302.462 3.228 10 0 DGAEMP CC[N@H+]1CC[C@H]([NH+](C)CCCc2cccc(OC)c2)[C@@H](C)C1 ZINC000247325812 432223034 /nfs/dbraw/zinc/22/30/34/432223034.db2.gz XZZUCRZWAULBIA-LPHOPBHVSA-N 2 1 304.478 3.290 10 0 DGAEMP CC[NH+]1CC[C@H]([N@H+](C)CCCc2cccc(OC)c2)[C@@H](C)C1 ZINC000247325812 432223039 /nfs/dbraw/zinc/22/30/39/432223039.db2.gz XZZUCRZWAULBIA-LPHOPBHVSA-N 2 1 304.478 3.290 10 0 DGAEMP CC[NH+]1CC[C@H]([N@@H+](C)CCCc2cccc(OC)c2)[C@@H](C)C1 ZINC000247325812 432223042 /nfs/dbraw/zinc/22/30/42/432223042.db2.gz XZZUCRZWAULBIA-LPHOPBHVSA-N 2 1 304.478 3.290 10 0 DGAEMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)[C@@H](C)CCc2ccccc2)CC1 ZINC000247778014 432250275 /nfs/dbraw/zinc/25/02/75/432250275.db2.gz REKVFMLSPCCWFQ-ROUUACIJSA-N 2 1 318.505 3.032 10 0 DGAEMP c1cc(-c2ccc(C[N@@H+]3CCC[C@H]([NH+]4CCCC4)CC3)o2)n[nH]1 ZINC000369489392 271282687 /nfs/dbraw/zinc/28/26/87/271282687.db2.gz FYMVHAQWJYWBFY-HNNXBMFYSA-N 2 1 314.433 3.120 10 0 DGAEMP c1cc(-c2ccc(C[N@H+]3CCC[C@H]([NH+]4CCCC4)CC3)o2)n[nH]1 ZINC000369489392 271282690 /nfs/dbraw/zinc/28/26/90/271282690.db2.gz FYMVHAQWJYWBFY-HNNXBMFYSA-N 2 1 314.433 3.120 10 0 DGAEMP C[C@@H]1C[C@H]([NH+](C)Cc2ccc(OCC3CC3)cc2)CC[N@@H+]1C ZINC000191398818 432260041 /nfs/dbraw/zinc/26/00/41/432260041.db2.gz LDZCOHBVUIFQKC-CRAIPNDOSA-N 2 1 302.462 3.390 10 0 DGAEMP C[C@@H]1C[C@H]([NH+](C)Cc2ccc(OCC3CC3)cc2)CC[N@H+]1C ZINC000191398818 432260044 /nfs/dbraw/zinc/26/00/44/432260044.db2.gz LDZCOHBVUIFQKC-CRAIPNDOSA-N 2 1 302.462 3.390 10 0 DGAEMP C[C@@H]1C[C@H]([N@H+](C)Cc2ccc(OCC3CC3)cc2)CC[NH+]1C ZINC000191398818 432260048 /nfs/dbraw/zinc/26/00/48/432260048.db2.gz LDZCOHBVUIFQKC-CRAIPNDOSA-N 2 1 302.462 3.390 10 0 DGAEMP C[C@@H]1C[C@H]([N@@H+](C)Cc2ccc(OCC3CC3)cc2)CC[NH+]1C ZINC000191398818 432260051 /nfs/dbraw/zinc/26/00/51/432260051.db2.gz LDZCOHBVUIFQKC-CRAIPNDOSA-N 2 1 302.462 3.390 10 0 DGAEMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(N(C)C(C)C)nc2)[C@H](C)C1 ZINC000191396911 432260342 /nfs/dbraw/zinc/26/03/42/432260342.db2.gz SRCULRANRLEXKU-SJLPKXTDSA-N 2 1 318.509 3.088 10 0 DGAEMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(N(C)C(C)C)nc2)[C@H](C)C1 ZINC000191396911 432260349 /nfs/dbraw/zinc/26/03/49/432260349.db2.gz SRCULRANRLEXKU-SJLPKXTDSA-N 2 1 318.509 3.088 10 0 DGAEMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(N(C)C(C)C)nc2)[C@H](C)C1 ZINC000191396911 432260354 /nfs/dbraw/zinc/26/03/54/432260354.db2.gz SRCULRANRLEXKU-SJLPKXTDSA-N 2 1 318.509 3.088 10 0 DGAEMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(N(C)C(C)C)nc2)[C@H](C)C1 ZINC000191396911 432260356 /nfs/dbraw/zinc/26/03/56/432260356.db2.gz SRCULRANRLEXKU-SJLPKXTDSA-N 2 1 318.509 3.088 10 0 DGAEMP CC(C)C[N@@H+](C[C@@H]1CCC[NH2+]C1)[C@@H]1CCCc2cccnc21 ZINC000261937032 277380952 /nfs/dbraw/zinc/38/09/52/277380952.db2.gz MGSBXBHOGLBZRZ-SJLPKXTDSA-N 2 1 301.478 3.417 10 0 DGAEMP Cc1cccc([C@@H](C)[NH+]2CCN(C[C@H]3CCCC[N@H+]3C)CC2)c1 ZINC000075718644 431495206 /nfs/dbraw/zinc/49/52/06/431495206.db2.gz MNNUNZBIXLIRJG-UYAOXDASSA-N 2 1 315.505 3.158 10 0 DGAEMP Cc1cccc([C@@H](C)[NH+]2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)c1 ZINC000075718642 431497556 /nfs/dbraw/zinc/49/75/56/431497556.db2.gz MNNUNZBIXLIRJG-QUCCMNQESA-N 2 1 315.505 3.158 10 0 DGAEMP C[N@H+]1CCCC[C@H]1CN1CC[NH+](CC2CCCCCC2)CC1 ZINC000120039585 431721558 /nfs/dbraw/zinc/72/15/58/431721558.db2.gz KSWNUNTZHSCMPB-IBGZPJMESA-N 2 1 307.526 3.059 10 0 DGAEMP CCc1nccn1[C@@H]1CCC[N@@H+](Cc2cnn(C(C)(C)C)c2)C1 ZINC000122956043 431849790 /nfs/dbraw/zinc/84/97/90/431849790.db2.gz QYXRYPFSLJJPBZ-MRXNPFEDSA-N 2 1 315.465 3.234 10 0 DGAEMP CCc1nccn1[C@@H]1CCCN(Cc2cnn(C(C)(C)C)c2)C1 ZINC000122956043 431849792 /nfs/dbraw/zinc/84/97/92/431849792.db2.gz QYXRYPFSLJJPBZ-MRXNPFEDSA-N 2 1 315.465 3.234 10 0 DGAEMP C[C@H]1C[C@H]([NH+](C)Cc2cc(F)cc3cccnc32)CC[N@@H+]1C ZINC000123746680 431873492 /nfs/dbraw/zinc/87/34/92/431873492.db2.gz FLDITTOCCMGTBO-SUMWQHHRSA-N 2 1 301.409 3.288 10 0 DGAEMP C[C@H]1C[C@H]([NH+](C)Cc2cc(F)cc3cccnc32)CC[N@H+]1C ZINC000123746680 431873493 /nfs/dbraw/zinc/87/34/93/431873493.db2.gz FLDITTOCCMGTBO-SUMWQHHRSA-N 2 1 301.409 3.288 10 0 DGAEMP C[C@H]1C[C@H]([N@H+](C)Cc2cc(F)cc3cccnc32)CC[NH+]1C ZINC000123746680 431873495 /nfs/dbraw/zinc/87/34/95/431873495.db2.gz FLDITTOCCMGTBO-SUMWQHHRSA-N 2 1 301.409 3.288 10 0 DGAEMP C[C@H]1C[C@H]([N@@H+](C)Cc2cc(F)cc3cccnc32)CC[NH+]1C ZINC000123746680 431873496 /nfs/dbraw/zinc/87/34/96/431873496.db2.gz FLDITTOCCMGTBO-SUMWQHHRSA-N 2 1 301.409 3.288 10 0 DGAEMP COc1ccc([C@@H]2C[C@@H](C)[N@@H+](CC[C@@H]3CCC[NH+]3C)C2)cc1 ZINC000089428459 431865701 /nfs/dbraw/zinc/86/57/01/431865701.db2.gz LQUVQBDPORZHAH-NXHRZFHOSA-N 2 1 302.462 3.357 10 0 DGAEMP COc1ccc([C@@H]2C[C@@H](C)[NH+](CC[C@@H]3CCC[N@@H+]3C)C2)cc1 ZINC000089428459 431865703 /nfs/dbraw/zinc/86/57/03/431865703.db2.gz LQUVQBDPORZHAH-NXHRZFHOSA-N 2 1 302.462 3.357 10 0 DGAEMP COc1ccc([C@@H]2C[C@@H](C)[NH+](CC[C@@H]3CCC[N@H+]3C)C2)cc1 ZINC000089428459 431865705 /nfs/dbraw/zinc/86/57/05/431865705.db2.gz LQUVQBDPORZHAH-NXHRZFHOSA-N 2 1 302.462 3.357 10 0 DGAEMP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC[C@@H]1c1ccc2c(c1)OCO2 ZINC000089427262 431865852 /nfs/dbraw/zinc/86/58/52/431865852.db2.gz DTZOSDSFEDEBGP-HZPDHXFCSA-N 2 1 302.418 3.037 10 0 DGAEMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC[C@@H]1c1ccc2c(c1)OCO2 ZINC000089427262 431865853 /nfs/dbraw/zinc/86/58/53/431865853.db2.gz DTZOSDSFEDEBGP-HZPDHXFCSA-N 2 1 302.418 3.037 10 0 DGAEMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCO2 ZINC000089427262 431865854 /nfs/dbraw/zinc/86/58/54/431865854.db2.gz DTZOSDSFEDEBGP-HZPDHXFCSA-N 2 1 302.418 3.037 10 0 DGAEMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCC[C@@H]1c1ccc2c(c1)OCO2 ZINC000089427262 431865856 /nfs/dbraw/zinc/86/58/56/431865856.db2.gz DTZOSDSFEDEBGP-HZPDHXFCSA-N 2 1 302.418 3.037 10 0 DGAEMP C[C@H]1C[C@H]([N@@H+](C)CCC(=O)Nc2ccccc2Cl)CCN1C ZINC000123484126 431866612 /nfs/dbraw/zinc/86/66/12/431866612.db2.gz LXOPBXHBGDWRED-UONOGXRCSA-N 2 1 323.868 3.083 10 0 DGAEMP C[C@H]1C[C@H]([NH+](C)CCC(=O)Nc2ccccc2Cl)CC[N@@H+]1C ZINC000123484126 431866613 /nfs/dbraw/zinc/86/66/13/431866613.db2.gz LXOPBXHBGDWRED-UONOGXRCSA-N 2 1 323.868 3.083 10 0 DGAEMP C[C@H]1C[C@H]([NH+](C)CCC(=O)Nc2ccccc2Cl)CC[N@H+]1C ZINC000123484126 431866614 /nfs/dbraw/zinc/86/66/14/431866614.db2.gz LXOPBXHBGDWRED-UONOGXRCSA-N 2 1 323.868 3.083 10 0 DGAEMP C[C@H]1C[C@H]([N@H+](C)CCC(=O)Nc2ccccc2Cl)CC[NH+]1C ZINC000123484126 431866615 /nfs/dbraw/zinc/86/66/15/431866615.db2.gz LXOPBXHBGDWRED-UONOGXRCSA-N 2 1 323.868 3.083 10 0 DGAEMP C[C@H]1C[C@H]([N@@H+](C)CCC(=O)Nc2ccccc2Cl)CC[NH+]1C ZINC000123484126 431866616 /nfs/dbraw/zinc/86/66/16/431866616.db2.gz LXOPBXHBGDWRED-UONOGXRCSA-N 2 1 323.868 3.083 10 0 DGAEMP CC[N@H+]1CC[C@@H]([NH2+]CCCCOCc2ccccc2)[C@H](C)C1 ZINC000127458844 431972836 /nfs/dbraw/zinc/97/28/36/431972836.db2.gz BEQCRDLVJLNZMB-IEBWSBKVSA-N 2 1 304.478 3.303 10 0 DGAEMP CCOC(C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1)OCC ZINC000125508793 431928025 /nfs/dbraw/zinc/92/80/25/431928025.db2.gz CGLWNUBFRIJWEM-AWEZNQCLSA-N 2 1 317.433 3.230 10 0 DGAEMP CC(C)[NH+]1CCN(CCC[N@H+]2CCC[C@]3(CC=CCC3)C2)CC1 ZINC000191495292 432270932 /nfs/dbraw/zinc/27/09/32/432270932.db2.gz WUEKHNNLFFRPIX-HXUWFJFHSA-N 2 1 319.537 3.225 10 0 DGAEMP CC[C@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)c1cccc(Cl)c1 ZINC000173345728 432273662 /nfs/dbraw/zinc/27/36/62/432273662.db2.gz CFBQPKNWXKLXHM-IRXDYDNUSA-N 2 1 310.869 3.228 10 0 DGAEMP Cc1ccc(N2CCC([NH2+][C@@H](C)c3cncc(C)c3)CC2)[nH+]c1 ZINC000184366053 432382445 /nfs/dbraw/zinc/38/24/45/432382445.db2.gz FVEXXFLGSCXVAF-INIZCTEOSA-N 2 1 310.445 3.413 10 0 DGAEMP Cc1ccc(N2CCC([NH2+][C@H](C)c3cncc(C)c3)CC2)[nH+]c1 ZINC000184366070 432384217 /nfs/dbraw/zinc/38/42/17/432384217.db2.gz FVEXXFLGSCXVAF-MRXNPFEDSA-N 2 1 310.445 3.413 10 0 DGAEMP COCC[N@@H+](C)CCC[NH2+][C@H]1CCCOc2cc(C)c(C)cc21 ZINC000153761104 432441603 /nfs/dbraw/zinc/44/16/03/432441603.db2.gz GBVNDZWGQSPVMY-SFHVURJKSA-N 2 1 320.477 3.075 10 0 DGAEMP C[N@@H+](CCOc1ccc2ccccc2c1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000261701188 432443124 /nfs/dbraw/zinc/44/31/24/432443124.db2.gz JYYYENAPWQCGMS-DFNIBXOVSA-N 2 1 310.441 3.433 10 0 DGAEMP CC[N@@H+](Cc1cccc(Br)c1)C[C@]1(C)CC[NH2+]C1 ZINC000261767878 432449502 /nfs/dbraw/zinc/44/95/02/432449502.db2.gz MFBLFUXVVKKNSS-OAHLLOKOSA-N 2 1 311.267 3.271 10 0 DGAEMP Clc1ccc2[nH]c([C@@H]3CCC[N@H+]3CC3CC[NH2+]CC3)nc2c1 ZINC000261825312 432451802 /nfs/dbraw/zinc/45/18/02/432451802.db2.gz IQUUTJUEPBKFPF-INIZCTEOSA-N 2 1 318.852 3.353 10 0 DGAEMP Clc1ccc2nc([C@@H]3CCC[N@@H+]3CC3CC[NH2+]CC3)[nH]c2c1 ZINC000261825312 432451804 /nfs/dbraw/zinc/45/18/04/432451804.db2.gz IQUUTJUEPBKFPF-INIZCTEOSA-N 2 1 318.852 3.353 10 0 DGAEMP Clc1ccc2nc([C@@H]3CCC[N@H+]3CC3CC[NH2+]CC3)[nH]c2c1 ZINC000261825312 432451810 /nfs/dbraw/zinc/45/18/10/432451810.db2.gz IQUUTJUEPBKFPF-INIZCTEOSA-N 2 1 318.852 3.353 10 0 DGAEMP CC(C)(C)c1ccc([C@@H]2CCCN2Cc2noc(C[NH3+])n2)cc1 ZINC000261869948 432456224 /nfs/dbraw/zinc/45/62/24/432456224.db2.gz XFHLHGSLBOOIBB-HNNXBMFYSA-N 2 1 314.433 3.163 10 0 DGAEMP CC[N@H+]1CC[C@@H](N(C)Cc2cc(-c3ccco3)on2)[C@H](C)C1 ZINC000175719903 432458843 /nfs/dbraw/zinc/45/88/43/432458843.db2.gz LXOOWLKYAGFTIV-UKRRQHHQSA-N 2 1 303.406 3.097 10 0 DGAEMP Cc1nc(C(F)(F)F)c(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)s1 ZINC000262122048 432475529 /nfs/dbraw/zinc/47/55/29/432475529.db2.gz MGZKAXXMSRAVJG-GARJFASQSA-N 2 1 319.396 3.030 10 0 DGAEMP Cc1nc(C(F)(F)F)c(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)s1 ZINC000262122048 432475530 /nfs/dbraw/zinc/47/55/30/432475530.db2.gz MGZKAXXMSRAVJG-GARJFASQSA-N 2 1 319.396 3.030 10 0 DGAEMP COc1cc(OC)c([C@@H](C)NC[C@@H]2CCC[N@H+]2C)cc1Cl ZINC000154623108 432511440 /nfs/dbraw/zinc/51/14/40/432511440.db2.gz NIVXKICPAQTGPN-NEPJUHHUSA-N 2 1 312.841 3.102 10 0 DGAEMP c1ccc2c(c1)cccc2CC[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1 ZINC000261979874 432464821 /nfs/dbraw/zinc/46/48/21/432464821.db2.gz RLLZHKBMHPCWQJ-NJDAHSKKSA-N 2 1 324.468 3.129 10 0 DGAEMP CC(C)C[N@@H+](C[C@]1(C)CC[NH2+]C1)[C@@H]1CCCc2cccnc21 ZINC000261961770 432466372 /nfs/dbraw/zinc/46/63/72/432466372.db2.gz HJRUEQRFEFXMGV-IEBWSBKVSA-N 2 1 301.478 3.417 10 0 DGAEMP C[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)c1ccc2ccccc2c1 ZINC000177244695 432602454 /nfs/dbraw/zinc/60/24/54/432602454.db2.gz TTYZOIHEVRMBSV-UZLBHIALSA-N 2 1 312.457 3.337 10 0 DGAEMP Cc1cc2c(cc1C)[C@@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)CCCO2 ZINC000158184605 432640378 /nfs/dbraw/zinc/64/03/78/432640378.db2.gz CGRWMFQMKLJAEB-WMZOPIPTSA-N 2 1 302.462 3.449 10 0 DGAEMP [NH3+]CC[C@@H]1CCC[N@@H+](Cc2ccc(Br)c(F)c2)C1 ZINC000161497994 432782698 /nfs/dbraw/zinc/78/26/98/432782698.db2.gz ZICLLZNXRLNHIQ-NSHDSACASA-N 2 1 315.230 3.149 10 0 DGAEMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(-n3ccnc3)cc2)[C@@H](C)C1 ZINC000245445329 432831680 /nfs/dbraw/zinc/83/16/80/432831680.db2.gz YUJHUFMVBWUZGB-LPHOPBHVSA-N 2 1 312.461 3.034 10 0 DGAEMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(-n3ccnc3)cc2)[C@@H](C)C1 ZINC000245445329 432831684 /nfs/dbraw/zinc/83/16/84/432831684.db2.gz YUJHUFMVBWUZGB-LPHOPBHVSA-N 2 1 312.461 3.034 10 0 DGAEMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(-n3ccnc3)cc2)[C@@H](C)C1 ZINC000245445329 432831687 /nfs/dbraw/zinc/83/16/87/432831687.db2.gz YUJHUFMVBWUZGB-LPHOPBHVSA-N 2 1 312.461 3.034 10 0 DGAEMP CCOc1cc(C[N@@H+](C)[C@H]2CC[NH+](CC)C[C@@H]2C)ccc1OC ZINC000245772169 432862196 /nfs/dbraw/zinc/86/21/96/432862196.db2.gz RZLKFLHUVMFRFX-RDJZCZTQSA-N 2 1 320.477 3.256 10 0 DGAEMP CCOc1cc(C[NH+](C)[C@H]2CC[N@H+](CC)C[C@@H]2C)ccc1OC ZINC000245772169 432862198 /nfs/dbraw/zinc/86/21/98/432862198.db2.gz RZLKFLHUVMFRFX-RDJZCZTQSA-N 2 1 320.477 3.256 10 0 DGAEMP CCOc1cc(C[NH+](C)[C@H]2CC[N@@H+](CC)C[C@@H]2C)ccc1OC ZINC000245772169 432862199 /nfs/dbraw/zinc/86/21/99/432862199.db2.gz RZLKFLHUVMFRFX-RDJZCZTQSA-N 2 1 320.477 3.256 10 0 DGAEMP C[C@@H]1CCC[C@H](CC[N@@H+]2CCCC[C@@H](N3CC[NH+](C)CC3)C2)C1 ZINC000245523946 432840112 /nfs/dbraw/zinc/84/01/12/432840112.db2.gz NHWHIAPPZZTKOU-VAMGGRTRSA-N 2 1 321.553 3.305 10 0 DGAEMP C[C@@H]1CCC[C@H](CC[N@H+]2CCCC[C@@H](N3CC[NH+](C)CC3)C2)C1 ZINC000245523946 432840114 /nfs/dbraw/zinc/84/01/14/432840114.db2.gz NHWHIAPPZZTKOU-VAMGGRTRSA-N 2 1 321.553 3.305 10 0 DGAEMP CC[N@H+]1CC[C@H]([NH2+][C@H]2CCCN(c3ccccc3F)C2)[C@H](C)C1 ZINC000245627446 432851131 /nfs/dbraw/zinc/85/11/31/432851131.db2.gz YXJNONUFOFXKHA-RYRKJORJSA-N 2 1 319.468 3.114 10 0 DGAEMP CC[N@H+]1CC[C@H](N(C)CC2=Cc3ccccc3OC2)[C@@H](C)C1 ZINC000245692194 432857132 /nfs/dbraw/zinc/85/71/32/432857132.db2.gz BQNNHOOFBGJIBH-YJBOKZPZSA-N 2 1 300.446 3.125 10 0 DGAEMP CC[N@@H+]1CC[C@H]([NH+](C)CC2=Cc3ccccc3OC2)[C@@H](C)C1 ZINC000245692194 432857134 /nfs/dbraw/zinc/85/71/34/432857134.db2.gz BQNNHOOFBGJIBH-YJBOKZPZSA-N 2 1 300.446 3.125 10 0 DGAEMP CC[NH+]1CC[C@H]([N@@H+](C)CC2=Cc3ccccc3OC2)[C@@H](C)C1 ZINC000245692194 432857138 /nfs/dbraw/zinc/85/71/38/432857138.db2.gz BQNNHOOFBGJIBH-YJBOKZPZSA-N 2 1 300.446 3.125 10 0 DGAEMP c1cc(C[NH2+]C2CC[NH+](C3CCCC3)CC2)n(-c2ccccc2)n1 ZINC000279047034 432929245 /nfs/dbraw/zinc/92/92/45/432929245.db2.gz DCMHREIVCMAODW-UHFFFAOYSA-N 2 1 324.472 3.369 10 0 DGAEMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](COCc2ccccc2)C(C)C)C1 ZINC000446750071 433099545 /nfs/dbraw/zinc/09/95/45/433099545.db2.gz DQLMWAQJZGDELH-OALUTQOASA-N 2 1 304.478 3.159 10 0 DGAEMP Cc1cc(CC[NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)on1 ZINC000376068044 433656554 /nfs/dbraw/zinc/65/65/54/433656554.db2.gz OEGRVAJTFVUQLM-AEFFLSMTSA-N 2 1 313.445 3.026 10 0 DGAEMP Cc1cc(NC[C@H](C)[N@H+]2CCOC[C@H]2C)c2cc(F)ccc2[nH+]1 ZINC000301687063 433678799 /nfs/dbraw/zinc/67/87/99/433678799.db2.gz VAZOCXXOENADLS-UONOGXRCSA-N 2 1 317.408 3.203 10 0 DGAEMP Cc1cccc(C[NH2+][C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000309728719 434095225 /nfs/dbraw/zinc/09/52/25/434095225.db2.gz QUYAVQHXEYLCSU-HKUYNNGSSA-N 2 1 309.457 3.390 10 0 DGAEMP Cc1cccc(C[NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000309728719 434095230 /nfs/dbraw/zinc/09/52/30/434095230.db2.gz QUYAVQHXEYLCSU-HKUYNNGSSA-N 2 1 309.457 3.390 10 0 DGAEMP c1ccc([C@@H]2CC[C@H]([NH2+]CCC[NH2+]Cc3cccnc3)C2)cc1 ZINC000423188582 434271684 /nfs/dbraw/zinc/27/16/84/434271684.db2.gz OEHWEROYOHHTFG-UXHICEINSA-N 2 1 309.457 3.487 10 0 DGAEMP c1ccc2c(c1)CCC([NH2+]CCC[NH2+]Cc1cccnc1)CC2 ZINC000423192712 434277433 /nfs/dbraw/zinc/27/74/33/434277433.db2.gz VVMKCRTYBLSTGS-UHFFFAOYSA-N 2 1 309.457 3.099 10 0 DGAEMP C[N@@H+]1CCC[C@H](C[NH2+]CC[C@@H]2CCOC2)[C@@H]1c1cccs1 ZINC000438200767 434437969 /nfs/dbraw/zinc/43/79/69/434437969.db2.gz NXFPPXQLKXTOKQ-BFYDXBDKSA-N 2 1 308.491 3.147 10 0 DGAEMP C[N@H+]1CCC[C@H](C[NH2+]CC[C@@H]2CCOC2)[C@@H]1c1cccs1 ZINC000438200767 434437973 /nfs/dbraw/zinc/43/79/73/434437973.db2.gz NXFPPXQLKXTOKQ-BFYDXBDKSA-N 2 1 308.491 3.147 10 0 DGAEMP C[N@@H+]1CCC[C@H](C[NH2+]CC[C@H]2CCOC2)[C@H]1c1cccs1 ZINC000438200770 434438353 /nfs/dbraw/zinc/43/83/53/434438353.db2.gz NXFPPXQLKXTOKQ-UXLLHSPISA-N 2 1 308.491 3.147 10 0 DGAEMP C[N@H+]1CCC[C@H](C[NH2+]CC[C@H]2CCOC2)[C@H]1c1cccs1 ZINC000438200770 434438361 /nfs/dbraw/zinc/43/83/61/434438361.db2.gz NXFPPXQLKXTOKQ-UXLLHSPISA-N 2 1 308.491 3.147 10 0 DGAEMP C[C@H]([NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1)[C@@H]1CC1(C)C ZINC000397629187 434441853 /nfs/dbraw/zinc/44/18/53/434441853.db2.gz NPIXZLVSGUQNKY-WDSOQIARSA-N 2 1 316.489 3.302 10 0 DGAEMP C[C@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)[C@@H]1CC1(C)C ZINC000397629187 434441861 /nfs/dbraw/zinc/44/18/61/434441861.db2.gz NPIXZLVSGUQNKY-WDSOQIARSA-N 2 1 316.489 3.302 10 0 DGAEMP C1C[C@@H]([NH2+]C2CCC(N3CC[NH2+]CC3)CC2)C2(C1)CCCCC2 ZINC000423507644 434463364 /nfs/dbraw/zinc/46/33/64/434463364.db2.gz JVDLITBYMWDBRR-CTWPCTMYSA-N 2 1 319.537 3.295 10 0 DGAEMP CC(C)(C)[C@H](O)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000354166003 434648153 /nfs/dbraw/zinc/64/81/53/434648153.db2.gz VUEFJMLTWIVNRV-XVLXNVKGSA-N 2 1 316.489 3.179 10 0 DGAEMP CC[N@@H+](CCN[C@H]1CC[NH+](Cc2ccccc2)C[C@@H]1C)C(C)C ZINC000360928775 434733692 /nfs/dbraw/zinc/73/36/92/434733692.db2.gz CBPVZUCBRQMHGT-ICSRJNTNSA-N 2 1 317.521 3.217 10 0 DGAEMP CC[NH+](CCN[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)C(C)C ZINC000360928775 434733705 /nfs/dbraw/zinc/73/37/05/434733705.db2.gz CBPVZUCBRQMHGT-ICSRJNTNSA-N 2 1 317.521 3.217 10 0 DGAEMP C[C@H](NC[C@H]1CCCC[N@@H+]1Cc1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC000573234872 434883139 /nfs/dbraw/zinc/88/31/39/434883139.db2.gz LAUFLYHPFDBGMG-DFQSSKMNSA-N 2 1 315.505 3.019 10 0 DGAEMP C[C@H](NC[C@H]1CCCC[N@H+]1Cc1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC000573234872 434883141 /nfs/dbraw/zinc/88/31/41/434883141.db2.gz LAUFLYHPFDBGMG-DFQSSKMNSA-N 2 1 315.505 3.019 10 0 DGAEMP C[C@H](NC[C@H]1CCCC[N@@H+]1Cc1ccccc1)[C@H]1CCC[NH2+]C1 ZINC000573234875 434884071 /nfs/dbraw/zinc/88/40/71/434884071.db2.gz LAUFLYHPFDBGMG-YSIASYRMSA-N 2 1 315.505 3.019 10 0 DGAEMP C[C@H](NC[C@H]1CCCC[N@H+]1Cc1ccccc1)[C@H]1CCC[NH2+]C1 ZINC000573234875 434884076 /nfs/dbraw/zinc/88/40/76/434884076.db2.gz LAUFLYHPFDBGMG-YSIASYRMSA-N 2 1 315.505 3.019 10 0 DGAEMP C/C(=C/c1ccc(Cl)cc1)C[NH2+]C1(CCO)CC[NH+](C)CC1 ZINC000573981082 434940534 /nfs/dbraw/zinc/94/05/34/434940534.db2.gz IQVDPNRYVBWGGX-SQFISAMPSA-N 2 1 322.880 3.180 10 0 DGAEMP Cc1nccn1CCC[N@H+]1CCC[C@@H](CC(=O)OC(C)(C)C)C1 ZINC000534955791 435305567 /nfs/dbraw/zinc/30/55/67/435305567.db2.gz JFQHOXGSHTURFO-INIZCTEOSA-N 2 1 321.465 3.025 10 0 DGAEMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@@H](CC(=O)OC(C)(C)C)C1 ZINC000534955791 435305570 /nfs/dbraw/zinc/30/55/70/435305570.db2.gz JFQHOXGSHTURFO-INIZCTEOSA-N 2 1 321.465 3.025 10 0 DGAEMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@@H](CC(=O)OC(C)(C)C)C1 ZINC000534955791 435305572 /nfs/dbraw/zinc/30/55/72/435305572.db2.gz JFQHOXGSHTURFO-INIZCTEOSA-N 2 1 321.465 3.025 10 0 DGAEMP c1ccc(Oc2cccnc2)c(C[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c1 ZINC000567990260 435377452 /nfs/dbraw/zinc/37/74/52/435377452.db2.gz NWAHJHIFHPLDRT-FQEVSTJZSA-N 2 1 323.440 3.449 10 0 DGAEMP c1ccc(Oc2cccnc2)c(C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c1 ZINC000567990260 435377456 /nfs/dbraw/zinc/37/74/56/435377456.db2.gz NWAHJHIFHPLDRT-FQEVSTJZSA-N 2 1 323.440 3.449 10 0 DGAEMP C[NH+](CC(C)(C)C[N@H+](C)Cc1ccccc1)C1CCOCC1 ZINC000536650248 435399770 /nfs/dbraw/zinc/39/97/70/435399770.db2.gz VDRZLNPRZHOXSC-UHFFFAOYSA-N 2 1 304.478 3.255 10 0 DGAEMP C[NH+](CC(C)(C)C[N@@H+](C)Cc1ccccc1)C1CCOCC1 ZINC000536650248 435399775 /nfs/dbraw/zinc/39/97/75/435399775.db2.gz VDRZLNPRZHOXSC-UHFFFAOYSA-N 2 1 304.478 3.255 10 0 DGAEMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@H+](C)C1CCOCC1 ZINC000536650248 435399779 /nfs/dbraw/zinc/39/97/79/435399779.db2.gz VDRZLNPRZHOXSC-UHFFFAOYSA-N 2 1 304.478 3.255 10 0 DGAEMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@@H+](C)C1CCOCC1 ZINC000536650248 435399782 /nfs/dbraw/zinc/39/97/82/435399782.db2.gz VDRZLNPRZHOXSC-UHFFFAOYSA-N 2 1 304.478 3.255 10 0 DGAEMP c1ccc(C[NH+]2CCC([NH2+]CCOCC3CCC3)CC2)cc1 ZINC000569982293 435577839 /nfs/dbraw/zinc/57/78/39/435577839.db2.gz LJOIHZHYZZXOKI-UHFFFAOYSA-N 2 1 302.462 3.057 10 0 DGAEMP Brc1c[nH+]ccc1N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000656608034 435982208 /nfs/dbraw/zinc/98/22/08/435982208.db2.gz GSUUSJQOESZEEV-CYBMUJFWSA-N 2 1 324.266 3.060 10 0 DGAEMP Cc1nc(CNC[C@]2(C)CCC[N@H+]2Cc2ccccc2)[nH]c1C ZINC000565549924 315269974 /nfs/dbraw/zinc/26/99/74/315269974.db2.gz OTCSVGHLMOUMLC-IBGZPJMESA-N 2 1 312.461 3.171 10 0 DGAEMP Cc1nc(C[NH2+]C[C@]2(C)CCCN2Cc2ccccc2)[nH]c1C ZINC000565549924 315269976 /nfs/dbraw/zinc/26/99/76/315269976.db2.gz OTCSVGHLMOUMLC-IBGZPJMESA-N 2 1 312.461 3.171 10 0 DGAEMP C[C@@H]1C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)[C@H](C)O1 ZINC000295004610 533942344 /nfs/dbraw/zinc/94/23/44/533942344.db2.gz IKYSXQVSGFJRSI-VYKNZGEYSA-N 2 1 314.473 3.338 10 0 DGAEMP Cc1ccc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1Br ZINC000157054287 524388013 /nfs/dbraw/zinc/38/80/13/524388013.db2.gz QALDACQBBGPTIV-YIONKMFJSA-N 2 1 323.278 3.472 10 0 DGAEMP C[N@@H+](Cc1ccco1)Cc1ccccc1C[NH2+][C@H]1CCCOC1 ZINC000164514583 546087603 /nfs/dbraw/zinc/08/76/03/546087603.db2.gz POKAEEQWUCOYCI-SFHVURJKSA-N 2 1 314.429 3.180 10 0 DGAEMP CC[NH+]1CCN(CCCC[NH2+][C@@H]2C[C@H](C)CC[C@H]2C(C)C)CC1 ZINC000248893176 546322653 /nfs/dbraw/zinc/32/26/53/546322653.db2.gz FXQNXIBMJCFWSF-HSALFYBXSA-N 2 1 323.569 3.455 10 0 DGAEMP CC[NH+]1CCN(CCCC[NH2+][C@@H]2C[C@@H](C)CC[C@H]2C(C)C)CC1 ZINC000248893182 546322883 /nfs/dbraw/zinc/32/28/83/546322883.db2.gz FXQNXIBMJCFWSF-SLFFLAALSA-N 2 1 323.569 3.455 10 0 DGAEMP C[C@@H]1C[C@H]([NH2+]CC[C@H]2CCCO2)CC[N@@H+]1Cc1ccccc1 ZINC000379656820 546735687 /nfs/dbraw/zinc/73/56/87/546735687.db2.gz QPXQOSUUPRUHHR-BHIYHBOVSA-N 2 1 302.462 3.198 10 0 DGAEMP C[C@@H]1C[C@H]([NH2+]CC[C@H]2CCCO2)CC[N@H+]1Cc1ccccc1 ZINC000379656820 546735689 /nfs/dbraw/zinc/73/56/89/546735689.db2.gz QPXQOSUUPRUHHR-BHIYHBOVSA-N 2 1 302.462 3.198 10 0 DGAEMP CC1(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)CCC1 ZINC000390932358 546756634 /nfs/dbraw/zinc/75/66/34/546756634.db2.gz LKHSCNLYGUCLEE-SFHVURJKSA-N 2 1 302.462 3.057 10 0 DGAEMP CC1(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)CCC1 ZINC000390932358 546756642 /nfs/dbraw/zinc/75/66/42/546756642.db2.gz LKHSCNLYGUCLEE-SFHVURJKSA-N 2 1 302.462 3.057 10 0 DGAEMP C[N@@H+](CCCOCc1ccccc1)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000703910836 660797392 /nfs/dbraw/zinc/79/73/92/660797392.db2.gz CZHFKDSVCDSIQN-YQQQUEKLSA-N 2 1 302.462 3.056 10 0 DGAEMP C[C@@H]1C[C@H]([NH2+]CCc2sccc2Br)CC[N@H+]1C ZINC000713116231 661190313 /nfs/dbraw/zinc/19/03/13/661190313.db2.gz OAXJKXFRWRZNTD-GHMZBOCLSA-N 2 1 317.296 3.125 10 0 DGAEMP CSC[C@@H](C)[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716624082 661225063 /nfs/dbraw/zinc/22/50/63/661225063.db2.gz DBHCXYKVJLMBJT-UBDQQSCGSA-N 2 1 304.503 3.381 10 0 DGAEMP COCCCCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716622125 661225107 /nfs/dbraw/zinc/22/51/07/661225107.db2.gz TUIACNFIQWKBOX-UFYCRDLUSA-N 2 1 316.489 3.446 10 0 DGAEMP COC(C)(C)CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716620409 661225193 /nfs/dbraw/zinc/22/51/93/661225193.db2.gz MTLVQGCJTMVMRQ-OTWHNJEPSA-N 2 1 316.489 3.444 10 0 DGAEMP CC(C)[C@@](C)(O)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716619032 661225265 /nfs/dbraw/zinc/22/52/65/661225265.db2.gz AOWOVLOYMVETKX-YRPNKDGESA-N 2 1 316.489 3.036 10 0 DGAEMP CCC[C@@](C)(O)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716619608 661225274 /nfs/dbraw/zinc/22/52/74/661225274.db2.gz FXAUQQXZQCIIEO-ZGXWSNOMSA-N 2 1 316.489 3.180 10 0 DGAEMP C[C@@H]([NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2)c1cn[nH]c1 ZINC000716643473 661226274 /nfs/dbraw/zinc/22/62/74/661226274.db2.gz GCFQEPIGTLVNAT-XIVBQZFQSA-N 2 1 310.445 3.113 10 0 DGAEMP C[C@H](O)C[C@H](C)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716680300 661226706 /nfs/dbraw/zinc/22/67/06/661226706.db2.gz HVYHKFUKUPPXAL-LPBINRMYSA-N 2 1 316.489 3.036 10 0 DGAEMP c1ccc(C[N@H+]2C[C@@H]3C[C@H]2C[C@@H]([NH2+]C[C@H]2CCC=CO2)C3)cc1 ZINC000716716212 661227422 /nfs/dbraw/zinc/22/74/22/661227422.db2.gz GGJPZBSRGDDZJB-LWYYNNOASA-N 2 1 312.457 3.322 10 0 DGAEMP COC[C@H]([NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2)C1CC1 ZINC000716681426 661227453 /nfs/dbraw/zinc/22/74/53/661227453.db2.gz WWJLWSLKQWKDTC-RNQOJCNYSA-N 2 1 314.473 3.054 10 0 DGAEMP CO[C@H](C[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2)C1CC1 ZINC000716692393 661227664 /nfs/dbraw/zinc/22/76/64/661227664.db2.gz LQSDWIASIVWDOV-FRYIKTPZSA-N 2 1 314.473 3.054 10 0 DGAEMP CCn1cc(C[NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)cn1 ZINC000716710654 661227759 /nfs/dbraw/zinc/22/77/59/661227759.db2.gz FYCKYXBMJQHWSK-SXLOBPIMSA-N 2 1 324.472 3.046 10 0 DGAEMP CC[C@@](C)(C[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2)OC ZINC000716728276 661228200 /nfs/dbraw/zinc/22/82/00/661228200.db2.gz OEVDDOZSZCXEOY-MUGJNUQGSA-N 2 1 316.489 3.444 10 0 DGAEMP CC1(C)OCC[C@@H]1[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716730468 661228255 /nfs/dbraw/zinc/22/82/55/661228255.db2.gz WYZPWWIRBSIEAQ-RDGPPVDQSA-N 2 1 314.473 3.197 10 0 DGAEMP C[N@@H+](CCC[NH2+][C@@H]1CC[C@@H]2COCC[C@@H]2C1)Cc1ccccc1 ZINC000723643275 656498329 /nfs/dbraw/zinc/49/83/29/656498329.db2.gz FWWOIKUOOMUQMK-VAMGGRTRSA-N 2 1 316.489 3.303 10 0 DGAEMP Cc1nc(C(F)(F)F)c(C[N@H+]2CCC3(C2)CC[NH2+]CC3)s1 ZINC000262111840 657376417 /nfs/dbraw/zinc/37/64/17/657376417.db2.gz KNQXKPCESINVGM-UHFFFAOYSA-N 2 1 319.396 3.046 10 0 DGAEMP Fc1cccc(Cl)c1C[C@@H]1CCC[N@H+]1CC1CC[NH2+]CC1 ZINC000262151837 657411894 /nfs/dbraw/zinc/41/18/94/657411894.db2.gz FYIQHGGIXOETGI-AWEZNQCLSA-N 2 1 310.844 3.486 10 0 DGAEMP Cc1ccc(CC[N@@H+](C[C@H]2CCCO2)C[C@@]2(C)CC[NH2+]C2)cc1 ZINC000261958464 659586823 /nfs/dbraw/zinc/58/68/23/659586823.db2.gz GYAZTYXIPKYXRE-UXHICEINSA-N 2 1 316.489 3.018 10 0 DGAEMP CO[C@@H]1CCC[C@H]([NH2+]CCC[N@@H+](C)Cc2ccccc2)CC1 ZINC000718838580 662262486 /nfs/dbraw/zinc/26/24/86/662262486.db2.gz BHVPMFKWZXUKEQ-RBUKOAKNSA-N 2 1 304.478 3.446 10 0 DGAEMP Cc1n[nH]c(C)c1C[NH2+]CC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000379649838 1197703357 /nfs/dbraw/zinc/70/33/57/1197703357.db2.gz PWVJISFBUDLASH-CQSZACIVSA-N 2 1 300.450 3.027 10 0 DGAEMP Cc1n[nH]c(C)c1C[NH2+]CC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000379649838 1197703360 /nfs/dbraw/zinc/70/33/60/1197703360.db2.gz PWVJISFBUDLASH-CQSZACIVSA-N 2 1 300.450 3.027 10 0 DGAEMP C[NH+](C)CCC[NH2+]Cc1cc(Cl)cc(Br)c1 ZINC000234217845 1202603447 /nfs/dbraw/zinc/60/34/47/1202603447.db2.gz PFRSKWUPXGXAPI-UHFFFAOYSA-N 2 1 305.647 3.144 10 0 DGAEMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CC(C)(C)CO2)CC[N@@H+]1Cc1ccccc1 ZINC000708393226 1082768268 /nfs/dbraw/zinc/76/82/68/1082768268.db2.gz RQCSSIGCDDMZBK-QRQLOZEOSA-N 2 1 316.489 3.444 10 0 DGAEMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CC(C)(C)CO2)CC[N@H+]1Cc1ccccc1 ZINC000708393226 1082768272 /nfs/dbraw/zinc/76/82/72/1082768272.db2.gz RQCSSIGCDDMZBK-QRQLOZEOSA-N 2 1 316.489 3.444 10 0 DGAEMP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)C1CC[NH2+]CC1 ZINC000400774701 1093914479 /nfs/dbraw/zinc/91/44/79/1093914479.db2.gz OCHFZXAZPBRZKH-UWVAXJGDSA-N 3 1 315.505 3.017 10 0 DGAEMP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)C1CC[NH2+]CC1 ZINC000400774701 1093914482 /nfs/dbraw/zinc/91/44/82/1093914482.db2.gz OCHFZXAZPBRZKH-UWVAXJGDSA-N 3 1 315.505 3.017 10 0 DGAEMP c1[nH+]c(C2CC[NH+](CC[C@@H]3CCCCO3)CC2)n2c1CCCC2 ZINC000434740560 238237071 /nfs/dbraw/zinc/23/70/71/238237071.db2.gz WUMWFWLJDLITRN-SFHVURJKSA-N 2 1 317.477 3.358 10 0 DGAEMP COc1c(C)c[nH+]c(CN2CCC[C@H]2C[NH+]2CCCCC2)c1C ZINC000069607825 283732337 /nfs/dbraw/zinc/73/23/37/283732337.db2.gz ANDJWLYPHNNULA-KRWDZBQOSA-N 2 1 317.477 3.157 10 0 DGAEMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCC[C@H]1C[C@@H](O)c1ccccc1 ZINC000268587486 432108380 /nfs/dbraw/zinc/10/83/80/432108380.db2.gz UXOURYIPDJANRL-HSALFYBXSA-N 2 1 316.489 3.449 10 0 DGAEMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CCC[C@H]1C[C@@H](O)c1ccccc1 ZINC000268587486 432108382 /nfs/dbraw/zinc/10/83/82/432108382.db2.gz UXOURYIPDJANRL-HSALFYBXSA-N 2 1 316.489 3.449 10 0 DGAEMP C[NH+]1CCCC[C@@H]1CC[N@H+]1CCC[C@H]1C[C@@H](O)c1ccccc1 ZINC000268587486 432108384 /nfs/dbraw/zinc/10/83/84/432108384.db2.gz UXOURYIPDJANRL-HSALFYBXSA-N 2 1 316.489 3.449 10 0 DGAEMP CCOc1cc(C[N@@H+](C)[C@@H]2CC[NH+](CC)C[C@H]2C)ccc1OC ZINC000093639039 193278131 /nfs/dbraw/zinc/27/81/31/193278131.db2.gz RZLKFLHUVMFRFX-NVXWUHKLSA-N 2 1 320.477 3.256 10 0 DGAEMP CCOc1cc(C[NH+](C)[C@@H]2CC[N@H+](CC)C[C@H]2C)ccc1OC ZINC000093639039 193278133 /nfs/dbraw/zinc/27/81/33/193278133.db2.gz RZLKFLHUVMFRFX-NVXWUHKLSA-N 2 1 320.477 3.256 10 0 DGAEMP CCOc1cc(C[NH+](C)[C@@H]2CC[N@@H+](CC)C[C@H]2C)ccc1OC ZINC000093639039 193278134 /nfs/dbraw/zinc/27/81/34/193278134.db2.gz RZLKFLHUVMFRFX-NVXWUHKLSA-N 2 1 320.477 3.256 10 0 DGAEMP CC[N@H+]1CC[C@H]([NH+](C)Cc2c[nH]nc2-c2ccc(C)o2)[C@H](C)C1 ZINC000093638781 193278440 /nfs/dbraw/zinc/27/84/40/193278440.db2.gz QKJBFUCJHPTAQG-CJNGLKHVSA-N 2 1 316.449 3.140 10 0 DGAEMP CC[NH+]1CC[C@H]([N@H+](C)Cc2c[nH]nc2-c2ccc(C)o2)[C@H](C)C1 ZINC000093638781 193278442 /nfs/dbraw/zinc/27/84/42/193278442.db2.gz QKJBFUCJHPTAQG-CJNGLKHVSA-N 2 1 316.449 3.140 10 0 DGAEMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2c[nH]nc2-c2ccc(C)o2)[C@H](C)C1 ZINC000093638781 193278443 /nfs/dbraw/zinc/27/84/43/193278443.db2.gz QKJBFUCJHPTAQG-CJNGLKHVSA-N 2 1 316.449 3.140 10 0 DGAEMP C[C@H](c1nc(C(C)(C)C)no1)[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000123479723 284239751 /nfs/dbraw/zinc/23/97/51/284239751.db2.gz CECTXLCNDPRJHJ-CQSZACIVSA-N 2 1 322.497 3.482 10 0 DGAEMP c1ccc(OCC[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000246487231 432135630 /nfs/dbraw/zinc/13/56/30/432135630.db2.gz GXMYRTWTMPQYNV-LPHOPBHVSA-N 2 1 300.446 3.014 10 0 DGAEMP c1ccc(OCC[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000246487231 432135633 /nfs/dbraw/zinc/13/56/33/432135633.db2.gz GXMYRTWTMPQYNV-LPHOPBHVSA-N 2 1 300.446 3.014 10 0 DGAEMP c1ccc(OCC[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000246487231 432135636 /nfs/dbraw/zinc/13/56/36/432135636.db2.gz GXMYRTWTMPQYNV-LPHOPBHVSA-N 2 1 300.446 3.014 10 0 DGAEMP CC(C)c1[nH+]ccn1[C@@H](C[NH3+])c1ccccc1Br ZINC000043093762 183336615 /nfs/dbraw/zinc/33/66/15/183336615.db2.gz LAJBXRWCBPIJIA-ZDUSSCGKSA-N 2 1 308.223 3.317 10 0 DGAEMP CCc1[nH+]ccn1[C@@H](c1ccccc1Br)[C@H](C)[NH3+] ZINC000043093911 183336841 /nfs/dbraw/zinc/33/68/41/183336841.db2.gz KOWYTJLDCSUDNZ-IINYFYTJSA-N 2 1 308.223 3.145 10 0 DGAEMP C[N@@H+](C/C=C/Cl)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000105915755 194168897 /nfs/dbraw/zinc/16/88/97/194168897.db2.gz ZUHCTGJIOKVNDK-DNXKIMQPSA-N 2 1 322.880 3.116 10 0 DGAEMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H]1CCCC[C@H]1O ZINC000268992460 207150286 /nfs/dbraw/zinc/15/02/86/207150286.db2.gz MSFVDWLQOADVFS-RSPOEFSDSA-N 2 1 316.489 3.038 10 0 DGAEMP C[C@@H]1C[C@@H](NC[C@@H]2CCCC[NH+]2Cc2ccccc2)CC[N@H+]1C ZINC000119664751 195012966 /nfs/dbraw/zinc/01/29/66/195012966.db2.gz HHNWLPMQHRKSDS-HOJAQTOUSA-N 2 1 315.505 3.113 10 0 DGAEMP C[C@@H]1C[C@@H](NC[C@@H]2CCCC[N@@H+]2Cc2ccccc2)CC[NH+]1C ZINC000119664751 195012969 /nfs/dbraw/zinc/01/29/69/195012969.db2.gz HHNWLPMQHRKSDS-HOJAQTOUSA-N 2 1 315.505 3.113 10 0 DGAEMP C[C@@H]1C[C@@H](NC[C@@H]2CCCC[N@H+]2Cc2ccccc2)CC[NH+]1C ZINC000119664751 195012971 /nfs/dbraw/zinc/01/29/71/195012971.db2.gz HHNWLPMQHRKSDS-HOJAQTOUSA-N 2 1 315.505 3.113 10 0 DGAEMP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCCCN2Cc2ccccc2)CC[N@@H+]1C ZINC000119664751 195012973 /nfs/dbraw/zinc/01/29/73/195012973.db2.gz HHNWLPMQHRKSDS-HOJAQTOUSA-N 2 1 315.505 3.113 10 0 DGAEMP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCCCN2Cc2ccccc2)CC[N@H+]1C ZINC000119664751 195012976 /nfs/dbraw/zinc/01/29/76/195012976.db2.gz HHNWLPMQHRKSDS-HOJAQTOUSA-N 2 1 315.505 3.113 10 0 DGAEMP Cc1cccc([C@@H](C)[N@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)c1 ZINC000252480952 285102554 /nfs/dbraw/zinc/10/25/54/285102554.db2.gz HHSDQALZGLMDDE-DLBZAZTESA-N 2 1 304.478 3.081 10 0 DGAEMP COc1ccc([C@H](C)C[N@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)cc1 ZINC000261821588 285193510 /nfs/dbraw/zinc/19/35/10/285193510.db2.gz XYFMGUAMLFDGQR-BSIFCXSSSA-N 2 1 324.468 3.473 10 0 DGAEMP c1cc(C[N@@H+]2CC[C@]3(C2)CCC[C@@H](C[NH+]2CCCC2)O3)cs1 ZINC000247941850 257114543 /nfs/dbraw/zinc/11/45/43/257114543.db2.gz GNBJYPUNZQPLMQ-ROUUACIJSA-N 2 1 320.502 3.358 10 0 DGAEMP C[N@H+]1C[C@@H]2C[NH+](Cc3ccccc3)[C@@H](Cc3ccccc3)[C@@H]2C1 ZINC000409431358 400301169 /nfs/dbraw/zinc/30/11/69/400301169.db2.gz PNYXJCVPSYNSDZ-NJYVYQBISA-N 2 1 306.453 3.291 10 0 DGAEMP C[NH+]1C[C@@H]2C[N@H+](Cc3ccccc3)[C@@H](Cc3ccccc3)[C@@H]2C1 ZINC000409431358 400301174 /nfs/dbraw/zinc/30/11/74/400301174.db2.gz PNYXJCVPSYNSDZ-NJYVYQBISA-N 2 1 306.453 3.291 10 0 DGAEMP C[NH+]1C[C@@H]2C[N@@H+](Cc3ccccc3)[C@@H](Cc3ccccc3)[C@@H]2C1 ZINC000409431358 400301178 /nfs/dbraw/zinc/30/11/78/400301178.db2.gz PNYXJCVPSYNSDZ-NJYVYQBISA-N 2 1 306.453 3.291 10 0 DGAEMP CCOCCCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000364438820 287026774 /nfs/dbraw/zinc/02/67/74/287026774.db2.gz BVWJGPCPHATPLR-PKOBYXMFSA-N 2 1 304.478 3.303 10 0 DGAEMP CCOCCCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000364438820 287026775 /nfs/dbraw/zinc/02/67/75/287026775.db2.gz BVWJGPCPHATPLR-PKOBYXMFSA-N 2 1 304.478 3.303 10 0 DGAEMP C[NH+]1CCN([C@@H]2CCCC[N@H+](CC3CCCCCC3)C2)CC1 ZINC000186853297 165064173 /nfs/dbraw/zinc/06/41/73/165064173.db2.gz VCINKHUIEVSYAA-LJQANCHMSA-N 2 1 307.526 3.059 10 0 DGAEMP C[NH+]1CCN([C@@H]2CCCC[N@@H+](CC3CCCCCC3)C2)CC1 ZINC000186853297 165064176 /nfs/dbraw/zinc/06/41/76/165064176.db2.gz VCINKHUIEVSYAA-LJQANCHMSA-N 2 1 307.526 3.059 10 0 DGAEMP CCc1nccn1[C@H]1CCC[N@@H+](C[C@H](O)CC2CCCC2)C1 ZINC000191342464 165244785 /nfs/dbraw/zinc/24/47/85/165244785.db2.gz QQAQWCGREIZIHA-DLBZAZTESA-N 2 1 305.466 3.024 10 0 DGAEMP CC(C)[N@@H+](C)CCCNCc1ccc(Br)c(F)c1 ZINC000217826205 165378179 /nfs/dbraw/zinc/37/81/79/165378179.db2.gz RLMFHEKLQNNFJX-UHFFFAOYSA-N 2 1 317.246 3.408 10 0 DGAEMP CC(C)[N@H+](C)CCC[NH2+]Cc1ccc(Br)c(F)c1 ZINC000217826205 165378181 /nfs/dbraw/zinc/37/81/81/165378181.db2.gz RLMFHEKLQNNFJX-UHFFFAOYSA-N 2 1 317.246 3.408 10 0 DGAEMP CC(C)[N@@H+](C)CCC[NH2+]Cc1ccc(Br)c(F)c1 ZINC000217826205 165378182 /nfs/dbraw/zinc/37/81/82/165378182.db2.gz RLMFHEKLQNNFJX-UHFFFAOYSA-N 2 1 317.246 3.408 10 0 DGAEMP CC(C)c1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)cc1 ZINC000261837682 165755536 /nfs/dbraw/zinc/75/55/36/165755536.db2.gz ACGWFOQBUHJHHI-GUDVDZBRSA-N 2 1 302.462 3.057 10 0 DGAEMP Cc1cccc(NC[C@H]2CC[N@H+](CCOc3ccccc3)C2)[nH+]1 ZINC000171652699 432155631 /nfs/dbraw/zinc/15/56/31/432155631.db2.gz JIMFKVLJHQDJNA-QGZVFWFLSA-N 2 1 311.429 3.203 10 0 DGAEMP Cc1cccc(NC[C@H]2CC[N@@H+](CCOc3ccccc3)C2)[nH+]1 ZINC000171652699 432155633 /nfs/dbraw/zinc/15/56/33/432155633.db2.gz JIMFKVLJHQDJNA-QGZVFWFLSA-N 2 1 311.429 3.203 10 0 DGAEMP C[N@@H+](Cc1cccnc1)C[C@@H]1CC[NH+](CCc2ccccc2)C1 ZINC000190487943 432162939 /nfs/dbraw/zinc/16/29/39/432162939.db2.gz FBKPVLNZUDJBRP-FQEVSTJZSA-N 2 1 309.457 3.078 10 0 DGAEMP C[N@H+](Cc1cccnc1)C[C@@H]1CC[NH+](CCc2ccccc2)C1 ZINC000190487943 432162944 /nfs/dbraw/zinc/16/29/44/432162944.db2.gz FBKPVLNZUDJBRP-FQEVSTJZSA-N 2 1 309.457 3.078 10 0 DGAEMP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000190487943 432162948 /nfs/dbraw/zinc/16/29/48/432162948.db2.gz FBKPVLNZUDJBRP-FQEVSTJZSA-N 2 1 309.457 3.078 10 0 DGAEMP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000190487943 432162953 /nfs/dbraw/zinc/16/29/53/432162953.db2.gz FBKPVLNZUDJBRP-FQEVSTJZSA-N 2 1 309.457 3.078 10 0 DGAEMP C[C@H]1C[C@@H](N(C)Cc2ccccc2OC(F)(F)F)CC[N@H+]1C ZINC000130668210 196099518 /nfs/dbraw/zinc/09/95/18/196099518.db2.gz LJZPONNXMLYYDY-JSGCOSHPSA-N 2 1 316.367 3.500 10 0 DGAEMP C[C@H]1C[C@@H]([N@H+](C)Cc2ccccc2OC(F)(F)F)CCN1C ZINC000130668210 196099519 /nfs/dbraw/zinc/09/95/19/196099519.db2.gz LJZPONNXMLYYDY-JSGCOSHPSA-N 2 1 316.367 3.500 10 0 DGAEMP C[C@H]1C[C@@H]([N@@H+](C)Cc2ccccc2OC(F)(F)F)CCN1C ZINC000130668210 196099521 /nfs/dbraw/zinc/09/95/21/196099521.db2.gz LJZPONNXMLYYDY-JSGCOSHPSA-N 2 1 316.367 3.500 10 0 DGAEMP CCOc1cc(CN2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)ccc1OC ZINC000247273482 432218032 /nfs/dbraw/zinc/21/80/32/432218032.db2.gz YEORKHBJEMVRKG-IRXDYDNUSA-N 2 1 318.461 3.010 10 0 DGAEMP CCOc1cc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)ccc1OC ZINC000247273482 432218038 /nfs/dbraw/zinc/21/80/38/432218038.db2.gz YEORKHBJEMVRKG-IRXDYDNUSA-N 2 1 318.461 3.010 10 0 DGAEMP CCOc1cc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)ccc1OC ZINC000247273482 432218041 /nfs/dbraw/zinc/21/80/41/432218041.db2.gz YEORKHBJEMVRKG-IRXDYDNUSA-N 2 1 318.461 3.010 10 0 DGAEMP CCOc1cc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)ccc1OC ZINC000247273482 432218044 /nfs/dbraw/zinc/21/80/44/432218044.db2.gz YEORKHBJEMVRKG-IRXDYDNUSA-N 2 1 318.461 3.010 10 0 DGAEMP CCOc1cc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)ccc1OC ZINC000247273482 432218046 /nfs/dbraw/zinc/21/80/46/432218046.db2.gz YEORKHBJEMVRKG-IRXDYDNUSA-N 2 1 318.461 3.010 10 0 DGAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CCCc1cccc(F)c1 ZINC000182828126 432232895 /nfs/dbraw/zinc/23/28/95/432232895.db2.gz DVENNQSRBIVSFG-GOSISDBHSA-N 2 1 301.409 3.428 10 0 DGAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1CCCc1cccc(F)c1 ZINC000182828126 432232898 /nfs/dbraw/zinc/23/28/98/432232898.db2.gz DVENNQSRBIVSFG-GOSISDBHSA-N 2 1 301.409 3.428 10 0 DGAEMP CC[NH+](CC)CCCC1CC[NH+](Cc2ncc(C)cn2)CC1 ZINC000359870507 271004773 /nfs/dbraw/zinc/00/47/73/271004773.db2.gz HWYRUUIDYITXMT-UHFFFAOYSA-N 2 1 304.482 3.119 10 0 DGAEMP c1[nH]nc2c1[C@@H](NCc1cccc(C[NH+]3CCCC3)c1)CCC2 ZINC000367611095 271050106 /nfs/dbraw/zinc/05/01/06/271050106.db2.gz AATCUJUIPIAYFV-SFHVURJKSA-N 2 1 310.445 3.173 10 0 DGAEMP C[N@@H+]1CCC[C@@H]2C[NH+](CCSc3ccccc3F)CC[C@H]21 ZINC000247975764 432258963 /nfs/dbraw/zinc/25/89/63/432258963.db2.gz HUEMPQCEHJLWSJ-GDBMZVCRSA-N 2 1 308.466 3.334 10 0 DGAEMP C[N@H+]1CCC[C@@H]2C[NH+](CCSc3ccccc3F)CC[C@H]21 ZINC000247975764 432258967 /nfs/dbraw/zinc/25/89/67/432258967.db2.gz HUEMPQCEHJLWSJ-GDBMZVCRSA-N 2 1 308.466 3.334 10 0 DGAEMP C[NH+]1CCC[C@@H]2C[N@H+](CCSc3ccccc3F)CC[C@H]21 ZINC000247975764 432258971 /nfs/dbraw/zinc/25/89/71/432258971.db2.gz HUEMPQCEHJLWSJ-GDBMZVCRSA-N 2 1 308.466 3.334 10 0 DGAEMP C[NH+]1CCC[C@@H]2C[N@@H+](CCSc3ccccc3F)CC[C@H]21 ZINC000247975764 432258975 /nfs/dbraw/zinc/25/89/75/432258975.db2.gz HUEMPQCEHJLWSJ-GDBMZVCRSA-N 2 1 308.466 3.334 10 0 DGAEMP CC[N@H+]1CC[C@H](C[NH2+][C@@H]2CC(C)(C)c3cc(OC)ccc32)C1 ZINC000474071572 276221880 /nfs/dbraw/zinc/22/18/80/276221880.db2.gz FZXBCFSDRTUJGA-RDTXWAMCSA-N 2 1 302.462 3.349 10 0 DGAEMP COc1ccccc1C[C@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)C(C)C ZINC000152474853 278051391 /nfs/dbraw/zinc/05/13/91/278051391.db2.gz LNUPTSMFSHUDCS-LPHOPBHVSA-N 2 1 316.489 3.336 10 0 DGAEMP CCn1ccnc1C[N@H+]1CC[C@@H](C2CC[NH+](CC(C)C)CC2)C1 ZINC000012299536 431500867 /nfs/dbraw/zinc/50/08/67/431500867.db2.gz MBTKBTHYINNRHW-GOSISDBHSA-N 2 1 318.509 3.093 10 0 DGAEMP COc1ccc([C@H]2C[C@@H](C)[N@@H+](CCC[NH+]3CCCC3)C2)cc1 ZINC000118998408 431632935 /nfs/dbraw/zinc/63/29/35/431632935.db2.gz HUMQMTSMXOKANL-AEFFLSMTSA-N 2 1 302.462 3.359 10 0 DGAEMP C[C@H]1C[C@H](N(C)Cc2ccccc2Br)CC[N@H+]1C ZINC000123958270 431879233 /nfs/dbraw/zinc/87/92/33/431879233.db2.gz WQMRHLDCXPDITO-GXTWGEPZSA-N 2 1 311.267 3.364 10 0 DGAEMP COCCC[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000248163151 432271392 /nfs/dbraw/zinc/27/13/92/432271392.db2.gz SLYLBGKPMVIPBF-OALUTQOASA-N 2 1 302.462 3.009 10 0 DGAEMP COCCC[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000248163151 432271396 /nfs/dbraw/zinc/27/13/96/432271396.db2.gz SLYLBGKPMVIPBF-OALUTQOASA-N 2 1 302.462 3.009 10 0 DGAEMP COCCC[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000248163151 432271400 /nfs/dbraw/zinc/27/14/00/432271400.db2.gz SLYLBGKPMVIPBF-OALUTQOASA-N 2 1 302.462 3.009 10 0 DGAEMP Cc1cccc(NC[C@@H]2CC[N@H+](C[C@@H](O)C3CCCCC3)C2)[nH+]1 ZINC000248970842 432331409 /nfs/dbraw/zinc/33/14/09/432331409.db2.gz SCNJVDASAGVIGV-FUHWJXTLSA-N 2 1 317.477 3.065 10 0 DGAEMP Cc1cccc(NC[C@@H]2CC[N@@H+](C[C@@H](O)C3CCCCC3)C2)[nH+]1 ZINC000248970842 432331412 /nfs/dbraw/zinc/33/14/12/432331412.db2.gz SCNJVDASAGVIGV-FUHWJXTLSA-N 2 1 317.477 3.065 10 0 DGAEMP C[C@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1ccccc1OCc1ccccc1 ZINC000261557041 432431512 /nfs/dbraw/zinc/43/15/12/432431512.db2.gz WTHAXDLKRNKTJJ-LPHOPBHVSA-N 2 1 310.441 3.353 10 0 DGAEMP COc1cccc([C@H](C)[NH+]2CCC(Cc3[nH+]ccn3C)CC2)c1 ZINC000175650743 432455079 /nfs/dbraw/zinc/45/50/79/432455079.db2.gz DVPWSJDVZRODED-HNNXBMFYSA-N 2 1 313.445 3.444 10 0 DGAEMP CC1(C)CC[C@@H](C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)O1 ZINC000184629985 432414157 /nfs/dbraw/zinc/41/41/57/432414157.db2.gz RODUMCOZLYEKQI-SFHVURJKSA-N 2 1 302.462 3.198 10 0 DGAEMP CC[N@H+](C)[C@@H](c1nc(-c2ccc(C[NH3+])cc2)no1)c1ccccc1 ZINC000262125405 432474637 /nfs/dbraw/zinc/47/46/37/432474637.db2.gz XRNGPPOKBIAVQI-QGZVFWFLSA-N 2 1 322.412 3.236 10 0 DGAEMP CC[N@@H+](C)[C@@H](c1nc(-c2ccc(C[NH3+])cc2)no1)c1ccccc1 ZINC000262125405 432474641 /nfs/dbraw/zinc/47/46/41/432474641.db2.gz XRNGPPOKBIAVQI-QGZVFWFLSA-N 2 1 322.412 3.236 10 0 DGAEMP Fc1cccc(Cl)c1C[C@H]1CCC[N@@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000262033394 432470131 /nfs/dbraw/zinc/47/01/31/432470131.db2.gz XKFZPPRTPRTVPE-ZIAGYGMSSA-N 2 1 310.844 3.486 10 0 DGAEMP Fc1cccc(Cl)c1C[C@H]1CCC[N@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000262033394 432470137 /nfs/dbraw/zinc/47/01/37/432470137.db2.gz XKFZPPRTPRTVPE-ZIAGYGMSSA-N 2 1 310.844 3.486 10 0 DGAEMP CCC[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1)c1ccccn1 ZINC000159177075 432674007 /nfs/dbraw/zinc/67/40/07/432674007.db2.gz WBWFLNFRGHCAOD-LPHOPBHVSA-N 2 1 317.477 3.013 10 0 DGAEMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cccc(OC(F)F)c2)[C@@H](C)C1 ZINC000245432629 432831072 /nfs/dbraw/zinc/83/10/72/432831072.db2.gz OTFUGJJMGUYUBN-XJKSGUPXSA-N 2 1 312.404 3.450 10 0 DGAEMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cccc(OC(F)F)c2)[C@@H](C)C1 ZINC000245432629 432831076 /nfs/dbraw/zinc/83/10/76/432831076.db2.gz OTFUGJJMGUYUBN-XJKSGUPXSA-N 2 1 312.404 3.450 10 0 DGAEMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cccc(OC(F)F)c2)[C@@H](C)C1 ZINC000245432629 432831079 /nfs/dbraw/zinc/83/10/79/432831079.db2.gz OTFUGJJMGUYUBN-XJKSGUPXSA-N 2 1 312.404 3.450 10 0 DGAEMP CCOc1cc(C[N@@H+](C)[C@@H]2CC[NH+](CC)C[C@@H]2C)ccc1OC ZINC000245772162 432862122 /nfs/dbraw/zinc/86/21/22/432862122.db2.gz RZLKFLHUVMFRFX-DOTOQJQBSA-N 2 1 320.477 3.256 10 0 DGAEMP CCOc1cc(C[NH+](C)[C@@H]2CC[N@H+](CC)C[C@@H]2C)ccc1OC ZINC000245772162 432862124 /nfs/dbraw/zinc/86/21/24/432862124.db2.gz RZLKFLHUVMFRFX-DOTOQJQBSA-N 2 1 320.477 3.256 10 0 DGAEMP CCOc1cc(C[NH+](C)[C@@H]2CC[N@@H+](CC)C[C@@H]2C)ccc1OC ZINC000245772162 432862126 /nfs/dbraw/zinc/86/21/26/432862126.db2.gz RZLKFLHUVMFRFX-DOTOQJQBSA-N 2 1 320.477 3.256 10 0 DGAEMP C[C@@H]1CN(CC[C@H]2CCC[N@H+]2C)C[C@H](c2ccc(F)cc2)O1 ZINC000245586034 432847281 /nfs/dbraw/zinc/84/72/81/432847281.db2.gz DXGPIJXWBCJNQF-ZTFGCOKTSA-N 2 1 306.425 3.072 10 0 DGAEMP C[C@@H]1C[C@H]([NH2+][C@H]2CCN(C)[C@@H]2c2ccc(Cl)cc2)CC[N@@H+]1C ZINC000245620153 432850376 /nfs/dbraw/zinc/85/03/76/432850376.db2.gz WKDWDGNNNDPVNN-NKGKWGDASA-N 2 1 321.896 3.158 10 0 DGAEMP C[C@@H]1C[C@H]([NH2+][C@H]2CCN(C)[C@@H]2c2ccc(Cl)cc2)CC[N@H+]1C ZINC000245620153 432850380 /nfs/dbraw/zinc/85/03/80/432850380.db2.gz WKDWDGNNNDPVNN-NKGKWGDASA-N 2 1 321.896 3.158 10 0 DGAEMP CC[N@H+]1CC[C@H](C[NH2+][C@H](COCc2ccccc2)C(C)C)C1 ZINC000446750073 433100182 /nfs/dbraw/zinc/10/01/82/433100182.db2.gz DQLMWAQJZGDELH-RTBURBONSA-N 2 1 304.478 3.159 10 0 DGAEMP Cc1nccc(CN[C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)n1 ZINC000374519055 433210064 /nfs/dbraw/zinc/21/00/64/433210064.db2.gz IUSYGNWAKATLRZ-LJQANCHMSA-N 2 1 324.472 3.175 10 0 DGAEMP Cc1nccc(C[NH2+][C@@H]2CCN(Cc3ccccc3)CC2(C)C)n1 ZINC000374519055 433210069 /nfs/dbraw/zinc/21/00/69/433210069.db2.gz IUSYGNWAKATLRZ-LJQANCHMSA-N 2 1 324.472 3.175 10 0 DGAEMP c1ccc(CCOCCC[N@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)cc1 ZINC000420381905 433193601 /nfs/dbraw/zinc/19/36/01/433193601.db2.gz CWZMYTYDTDBPQF-UXHICEINSA-N 2 1 316.489 3.100 10 0 DGAEMP CC[N@@H+]1CC[C@H](C[NH2+]Cc2sc(C)cc2Br)C1 ZINC000453591241 433220404 /nfs/dbraw/zinc/22/04/04/433220404.db2.gz PTCTXLTWSZCXSC-LLVKDONJSA-N 2 1 317.296 3.250 10 0 DGAEMP CC[N@H+]1CC[C@H](C[NH2+]Cc2sc(C)cc2Br)C1 ZINC000453591241 433220414 /nfs/dbraw/zinc/22/04/14/433220414.db2.gz PTCTXLTWSZCXSC-LLVKDONJSA-N 2 1 317.296 3.250 10 0 DGAEMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+]CC[C@H]2CCOC2)C3)cc1 ZINC000447598028 433241099 /nfs/dbraw/zinc/24/10/99/433241099.db2.gz HEINTTJXPPAAFD-LWYYNNOASA-N 2 1 314.473 3.198 10 0 DGAEMP CC[N@@H+](CCC1CCN(Cc2ncccn2)CC1)CC(C)C ZINC000361860756 433426804 /nfs/dbraw/zinc/42/68/04/433426804.db2.gz PDDJOPOJFXSJJM-UHFFFAOYSA-N 2 1 304.482 3.057 10 0 DGAEMP CC[N@H+](CCC1CC[NH+](Cc2ncccn2)CC1)CC(C)C ZINC000361860756 433426813 /nfs/dbraw/zinc/42/68/13/433426813.db2.gz PDDJOPOJFXSJJM-UHFFFAOYSA-N 2 1 304.482 3.057 10 0 DGAEMP CC[N@@H+](CCC1CC[NH+](Cc2ncccn2)CC1)CC(C)C ZINC000361860756 433426823 /nfs/dbraw/zinc/42/68/23/433426823.db2.gz PDDJOPOJFXSJJM-UHFFFAOYSA-N 2 1 304.482 3.057 10 0 DGAEMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@@H]1CCCS1 ZINC000362024188 433495339 /nfs/dbraw/zinc/49/53/39/433495339.db2.gz IAXQETDEMCNDLN-BPQIPLTHSA-N 2 1 304.503 3.382 10 0 DGAEMP COc1cccc(C2=CC[N@H+](CC[C@H]3CCC[NH+]3C)CC2)c1 ZINC000362399647 433692158 /nfs/dbraw/zinc/69/21/58/433692158.db2.gz BQBSBOFKOCRSNM-GOSISDBHSA-N 2 1 300.446 3.269 10 0 DGAEMP COc1cccc(C2=CC[N@@H+](CC[C@H]3CCC[NH+]3C)CC2)c1 ZINC000362399647 433692166 /nfs/dbraw/zinc/69/21/66/433692166.db2.gz BQBSBOFKOCRSNM-GOSISDBHSA-N 2 1 300.446 3.269 10 0 DGAEMP COc1cccc(C2=CC[NH+](CC[C@H]3CCC[N@@H+]3C)CC2)c1 ZINC000362399647 433692177 /nfs/dbraw/zinc/69/21/77/433692177.db2.gz BQBSBOFKOCRSNM-GOSISDBHSA-N 2 1 300.446 3.269 10 0 DGAEMP COc1cccc(C2=CC[NH+](CC[C@H]3CCC[N@H+]3C)CC2)c1 ZINC000362399647 433692181 /nfs/dbraw/zinc/69/21/81/433692181.db2.gz BQBSBOFKOCRSNM-GOSISDBHSA-N 2 1 300.446 3.269 10 0 DGAEMP CO[C@@H]1CCC[C@@H]1[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309788823 434097640 /nfs/dbraw/zinc/09/76/40/434097640.db2.gz OCLZTIHOVBZSII-DSLXNQLJSA-N 2 1 302.462 3.054 10 0 DGAEMP Cc1cccc(C[NH2+][C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000309728727 434097959 /nfs/dbraw/zinc/09/79/59/434097959.db2.gz QUYAVQHXEYLCSU-MJGOQNOKSA-N 2 1 309.457 3.390 10 0 DGAEMP Cc1cccc(C[NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000309728727 434097966 /nfs/dbraw/zinc/09/79/66/434097966.db2.gz QUYAVQHXEYLCSU-MJGOQNOKSA-N 2 1 309.457 3.390 10 0 DGAEMP Cn1c[nH+]cc1CC[NH2+][C@H](COc1ccccc1F)C(C)(C)C ZINC000459384034 293969966 /nfs/dbraw/zinc/96/99/66/293969966.db2.gz CAWNUVUIUCZUMD-QGZVFWFLSA-N 2 1 319.424 3.185 10 0 DGAEMP OC1(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCCC1 ZINC000358079085 434320021 /nfs/dbraw/zinc/32/00/21/434320021.db2.gz CVBCPKKSFNQIBN-YQQQUEKLSA-N 2 1 314.473 3.077 10 0 DGAEMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)[C@@H](C)O1 ZINC000295389205 434339272 /nfs/dbraw/zinc/33/92/72/434339272.db2.gz LBUHMYHLHNYRTE-RTYCURFASA-N 2 1 302.462 3.053 10 0 DGAEMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)[C@@H](C)O1 ZINC000295389205 434339276 /nfs/dbraw/zinc/33/92/76/434339276.db2.gz LBUHMYHLHNYRTE-RTYCURFASA-N 2 1 302.462 3.053 10 0 DGAEMP C[C@H](Cc1ccc(Br)cc1)[NH2+][C@@H]1CCC[NH2+][C@H]1C ZINC000396677207 434426341 /nfs/dbraw/zinc/42/63/41/434426341.db2.gz UFYORXPYDIBSJE-TYNCELHUSA-N 2 1 311.267 3.110 10 0 DGAEMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)CS1 ZINC000398092755 434457191 /nfs/dbraw/zinc/45/71/91/434457191.db2.gz JTNJTNGLYSHEFD-XYVMCAHJSA-N 2 1 304.503 3.381 10 0 DGAEMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)CS1 ZINC000398092755 434457199 /nfs/dbraw/zinc/45/71/99/434457199.db2.gz JTNJTNGLYSHEFD-XYVMCAHJSA-N 2 1 304.503 3.381 10 0 DGAEMP CCCn1cc(CN[C@]2(C)CC[N@H+](Cc3ccccc3)C2)cn1 ZINC000405946141 434526252 /nfs/dbraw/zinc/52/62/52/434526252.db2.gz CKZHRQMIKRWNMG-LJQANCHMSA-N 2 1 312.461 3.047 10 0 DGAEMP c1ccc(C[NH+]2CCC([NH2+]CC[C@H]3CCCOC3)CC2)cc1 ZINC000527739421 295123533 /nfs/dbraw/zinc/12/35/33/295123533.db2.gz NZAAFCKXQDZXNP-GOSISDBHSA-N 2 1 302.462 3.057 10 0 DGAEMP COC1(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)CCC1 ZINC000360438807 434605136 /nfs/dbraw/zinc/60/51/36/434605136.db2.gz ZZEYWTAJAKUASQ-AEFFLSMTSA-N 2 1 302.462 3.056 10 0 DGAEMP c1ccc([C@@H]2CC[C@H](C[NH2+]C3CC[NH+](C4CC4)CC3)O2)cc1 ZINC000459557876 434605508 /nfs/dbraw/zinc/60/55/08/434605508.db2.gz FHDIJOJVJPZWCU-MOPGFXCFSA-N 2 1 300.446 3.123 10 0 DGAEMP Cc1ccc(CC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)cn1 ZINC000531715161 435113937 /nfs/dbraw/zinc/11/39/37/435113937.db2.gz REUYNYAZDRAAAQ-UTKZUKDTSA-N 2 1 323.484 3.433 10 0 DGAEMP Cc1ccc(CC[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)cn1 ZINC000531715161 435113943 /nfs/dbraw/zinc/11/39/43/435113943.db2.gz REUYNYAZDRAAAQ-UTKZUKDTSA-N 2 1 323.484 3.433 10 0 DGAEMP c1ccc(C[N@H+]2CC[C@H]([NH2+]CCOCC3CC3)CC23CC3)cc1 ZINC000580325318 435224179 /nfs/dbraw/zinc/22/41/79/435224179.db2.gz VSZMBKHJFYLUJM-IBGZPJMESA-N 2 1 314.473 3.200 10 0 DGAEMP c1ccc(C[N@@H+]2CC[C@H]([NH2+]CCOCC3CC3)CC23CC3)cc1 ZINC000580325318 435224185 /nfs/dbraw/zinc/22/41/85/435224185.db2.gz VSZMBKHJFYLUJM-IBGZPJMESA-N 2 1 314.473 3.200 10 0 DGAEMP CO[C@@H]1CCC[C@@H]1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000537096027 435425862 /nfs/dbraw/zinc/42/58/62/435425862.db2.gz DHCMVLARHCOLJJ-RSPOEFSDSA-N 2 1 316.489 3.302 10 0 DGAEMP c1ccc(C[N@H+]2CC[C@H]([NH2+]CCc3ccncc3)CC23CC3)cc1 ZINC000516180655 435516863 /nfs/dbraw/zinc/51/68/63/435516863.db2.gz BHUCEUPMILJNSR-FQEVSTJZSA-N 2 1 321.468 3.411 10 0 DGAEMP c1ccc(C[N@@H+]2CC[C@H]([NH2+]CCc3ccncc3)CC23CC3)cc1 ZINC000516180655 435516868 /nfs/dbraw/zinc/51/68/68/435516868.db2.gz BHUCEUPMILJNSR-FQEVSTJZSA-N 2 1 321.468 3.411 10 0 DGAEMP CCCC[N@@H+](C)CCN[C@H]1CC[NH+](Cc2ccccc2)C[C@@H]1C ZINC000482954527 435488341 /nfs/dbraw/zinc/48/83/41/435488341.db2.gz DPWKBNAEOIJWMI-ICSRJNTNSA-N 2 1 317.521 3.219 10 0 DGAEMP CCCC[NH+](C)CCN[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000482954527 435488345 /nfs/dbraw/zinc/48/83/45/435488345.db2.gz DPWKBNAEOIJWMI-ICSRJNTNSA-N 2 1 317.521 3.219 10 0 DGAEMP CCCC[NH+](C)CCN[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000482954527 435488350 /nfs/dbraw/zinc/48/83/50/435488350.db2.gz DPWKBNAEOIJWMI-ICSRJNTNSA-N 2 1 317.521 3.219 10 0 DGAEMP CO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)C1(C)C ZINC000484287612 435542778 /nfs/dbraw/zinc/54/27/78/435542778.db2.gz GUGGBYAXDINZOV-OQIJWPOYSA-N 2 1 316.489 3.300 10 0 DGAEMP CO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)C1(C)C ZINC000484287612 435542782 /nfs/dbraw/zinc/54/27/82/435542782.db2.gz GUGGBYAXDINZOV-OQIJWPOYSA-N 2 1 316.489 3.300 10 0 DGAEMP CC(C)(C)OC(=O)C[C@H]1CCC[N@H+](CCC[NH+]2CCCCC2)C1 ZINC000548066587 435665646 /nfs/dbraw/zinc/66/56/46/435665646.db2.gz DAHLIYSCWWHPFX-QGZVFWFLSA-N 2 1 324.509 3.306 10 0 DGAEMP CC(C)(C)OC(=O)C[C@H]1CCC[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC000548066587 435665650 /nfs/dbraw/zinc/66/56/50/435665650.db2.gz DAHLIYSCWWHPFX-QGZVFWFLSA-N 2 1 324.509 3.306 10 0 DGAEMP CO[C@@H](C)[C@@H](C)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000519484744 435683150 /nfs/dbraw/zinc/68/31/50/435683150.db2.gz ZAHWOGQPEXNPIF-XWCCPHMRSA-N 2 1 302.462 3.195 10 0 DGAEMP c1ccc(C[N@H+]2CC[C@@H]([NH2+]CC3=CCOCC3)CC23CC3)cc1 ZINC000574810837 316002925 /nfs/dbraw/zinc/00/29/25/316002925.db2.gz PFVXJPBDHJLDJJ-LJQANCHMSA-N 2 1 312.457 3.120 10 0 DGAEMP c1ccc(C[N@@H+]2CC[C@@H]([NH2+]CC3=CCOCC3)CC23CC3)cc1 ZINC000574810837 316002930 /nfs/dbraw/zinc/00/29/30/316002930.db2.gz PFVXJPBDHJLDJJ-LJQANCHMSA-N 2 1 312.457 3.120 10 0 DGAEMP C[C@@H]1C[C@H]([NH2+]CCOCC2CCC2)CC[N@@H+]1Cc1ccccc1 ZINC000583726902 324389253 /nfs/dbraw/zinc/38/92/53/324389253.db2.gz IKFYIZBSAJZKMP-YLJYHZDGSA-N 2 1 316.489 3.446 10 0 DGAEMP C[C@@H]1C[C@H]([NH2+]CCOCC2CCC2)CC[N@H+]1Cc1ccccc1 ZINC000583726902 324389258 /nfs/dbraw/zinc/38/92/58/324389258.db2.gz IKFYIZBSAJZKMP-YLJYHZDGSA-N 2 1 316.489 3.446 10 0 DGAEMP c1cc2c(cc1C[N@H+](C[C@@H]1CCCO1)C1CCCC1)C[NH2+]CC2 ZINC000584355560 336090759 /nfs/dbraw/zinc/09/07/59/336090759.db2.gz BMRRTLPTGVNLKO-FQEVSTJZSA-N 2 1 314.473 3.256 10 0 DGAEMP C[C@H]([NH2+]C[C@H]1CCC(C)(C)O1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309775660 533904610 /nfs/dbraw/zinc/90/46/10/533904610.db2.gz IZCWOYPKTRFFKG-YTQUADARSA-N 2 1 316.489 3.444 10 0 DGAEMP C[C@H]([NH2+][C@H]1CCOC1(C)C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000294923991 534006540 /nfs/dbraw/zinc/00/65/40/534006540.db2.gz YZZDBLQMUCXGRD-JQHSSLGASA-N 2 1 302.462 3.054 10 0 DGAEMP CC(C)CCn1cccc1C[NH2+]C[C@H]1CCc2[nH+]ccn2C1 ZINC000328626493 527887018 /nfs/dbraw/zinc/88/70/18/527887018.db2.gz FDECLWGLOQYJMQ-MRXNPFEDSA-N 2 1 300.450 3.083 10 0 DGAEMP Clc1cccc(OCC[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)c1 ZINC000252412663 546330572 /nfs/dbraw/zinc/33/05/72/546330572.db2.gz AMJXMXUKNMAIPU-RHSMWYFYSA-N 2 1 308.853 3.183 10 0 DGAEMP C[C@@H]1C[C@@H]([NH2+]CC2CCC(O)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000379628622 546735484 /nfs/dbraw/zinc/73/54/84/546735484.db2.gz NUCDRHZRTOIHRK-PYXOFJJQSA-N 2 1 316.489 3.180 10 0 DGAEMP C[C@@H]1C[C@@H]([NH2+]CC2CCC(O)CC2)CC[N@H+]1Cc1ccccc1 ZINC000379628622 546735487 /nfs/dbraw/zinc/73/54/87/546735487.db2.gz NUCDRHZRTOIHRK-PYXOFJJQSA-N 2 1 316.489 3.180 10 0 DGAEMP c1ccc(C[N@H+]2C[C@H]3C[C@@H](C2)C3[NH2+]CC[C@@H]2CCCCO2)cc1 ZINC000671120302 547771079 /nfs/dbraw/zinc/77/10/79/547771079.db2.gz FEVWFQXZDYWTRJ-COHPWVSRSA-N 2 1 314.473 3.056 10 0 DGAEMP c1ccc(C[N@@H+]2C[C@H]3C[C@@H](C2)C3[NH2+]CC[C@@H]2CCCCO2)cc1 ZINC000671120302 547771084 /nfs/dbraw/zinc/77/10/84/547771084.db2.gz FEVWFQXZDYWTRJ-COHPWVSRSA-N 2 1 314.473 3.056 10 0 DGAEMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@@H]1CCCc2n[nH]cc21 ZINC000708541089 660923882 /nfs/dbraw/zinc/92/38/82/660923882.db2.gz HWIXSZRZXMDVAK-SZVBFZGTSA-N 2 1 324.472 3.145 10 0 DGAEMP c1ccc(C[N@@H+]2CCCC[C@@H](CN[C@@H]3CCC[NH2+]CC3)C2)cc1 ZINC000261539016 655646615 /nfs/dbraw/zinc/64/66/15/655646615.db2.gz BJIVGXHHMDSSOQ-VQTJNVASSA-N 3 1 315.505 3.020 10 0 DGAEMP c1ccc(C[N@H+]2CCCC[C@@H](C[NH2+][C@@H]3CCC[NH2+]CC3)C2)cc1 ZINC000261539016 655646616 /nfs/dbraw/zinc/64/66/16/655646616.db2.gz BJIVGXHHMDSSOQ-VQTJNVASSA-N 3 1 315.505 3.020 10 0 DGAEMP c1ccc(C[N@@H+]2CCCC[C@@H](C[NH2+][C@@H]3CCC[NH2+]CC3)C2)cc1 ZINC000261539016 655646617 /nfs/dbraw/zinc/64/66/17/655646617.db2.gz BJIVGXHHMDSSOQ-VQTJNVASSA-N 3 1 315.505 3.020 10 0 DGAEMP COC[C@@H]([NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2)C(C)C ZINC000716620030 661225216 /nfs/dbraw/zinc/22/52/16/661225216.db2.gz KKKCLGCPCQWEMR-LWYYNNOASA-N 2 1 316.489 3.300 10 0 DGAEMP CC(C)C[C@H](CO)[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716620036 661225243 /nfs/dbraw/zinc/22/52/43/661225243.db2.gz KPBYOVDSWOGHPT-HAGHYFMRSA-N 2 1 316.489 3.036 10 0 DGAEMP C[C@@]1(C[NH2+][C@H]2CCCSC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000309709328 656116655 /nfs/dbraw/zinc/11/66/55/656116655.db2.gz IRXIJAFVCUTEAJ-ROUUACIJSA-N 2 1 304.503 3.384 10 0 DGAEMP CO[C@@H]1CCC[C@H]1[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716663571 661226084 /nfs/dbraw/zinc/22/60/84/661226084.db2.gz SQWVLMYXPVXJIG-WKWVNEEDSA-N 2 1 314.473 3.197 10 0 DGAEMP COCC[C@@H](C)[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716678666 661226663 /nfs/dbraw/zinc/22/66/63/661226663.db2.gz ABSWBJUAIHVRLM-LULLPPNCSA-N 2 1 302.462 3.054 10 0 DGAEMP COCCCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716674515 661226668 /nfs/dbraw/zinc/22/66/68/661226668.db2.gz XYAIMMDAIQXDHO-FHWLQOOXSA-N 2 1 302.462 3.056 10 0 DGAEMP CC1(C)C[C@H]([NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)CO1 ZINC000716672118 661226787 /nfs/dbraw/zinc/22/67/87/661226787.db2.gz SVUNJPORNQMALJ-VJANTYMQSA-N 2 1 314.473 3.197 10 0 DGAEMP C[C@@H]1CC[C@@H](C[NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)O1 ZINC000716683836 661227680 /nfs/dbraw/zinc/22/76/80/661227680.db2.gz SPNYNDCGCYCRSK-XZEJUNMKSA-N 2 1 314.473 3.197 10 0 DGAEMP CC[C@@H](O)CCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716681583 661227691 /nfs/dbraw/zinc/22/76/91/661227691.db2.gz MFECBEKTEBGYSH-ZGXWSNOMSA-N 2 1 316.489 3.180 10 0 DGAEMP CCC[C@@H](C[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2)OC ZINC000716695828 661227707 /nfs/dbraw/zinc/22/77/07/661227707.db2.gz YJRJNFMORYOOSY-MUGJNUQGSA-N 2 1 316.489 3.444 10 0 DGAEMP CC1(C)CO[C@H](CC[NH2+]C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000717343068 661262279 /nfs/dbraw/zinc/26/22/79/661262279.db2.gz IGIYVRAMUGBBMG-LJQANCHMSA-N 2 1 316.489 3.446 10 0 DGAEMP C[N@@H+](C[C@H]1CC[NH+](Cc2ccccc2)C1)CC1(O)CCCCC1 ZINC000157077287 658984833 /nfs/dbraw/zinc/98/48/33/658984833.db2.gz RAXMXHJVXMZRKW-LJQANCHMSA-N 2 1 316.489 3.136 10 0 DGAEMP C[NH+](C[C@H]1CC[N@H+](Cc2ccccc2)C1)CC1(O)CCCCC1 ZINC000157077287 658984837 /nfs/dbraw/zinc/98/48/37/658984837.db2.gz RAXMXHJVXMZRKW-LJQANCHMSA-N 2 1 316.489 3.136 10 0 DGAEMP C[N@@H+](Cc1ccc(Br)c(F)c1)C1CCC([NH3+])CC1 ZINC000161505883 685100865 /nfs/dbraw/zinc/10/08/65/685100865.db2.gz QXTKSUPLMDCVMI-UHFFFAOYSA-N 2 1 315.230 3.290 10 0 DGAEMP COC(C)(C)[C@H](C)[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000381774804 685159944 /nfs/dbraw/zinc/15/99/44/685159944.db2.gz ADVGTWXTKCYPJN-SOLBZPMBSA-N 2 1 304.478 3.300 10 0 DGAEMP CO[C@@H]1CCC[C@H]1[NH2+]C[C@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000382026465 685161741 /nfs/dbraw/zinc/16/17/41/685161741.db2.gz BFGKSTNUPDRSAV-QRVBRYPASA-N 2 1 302.462 3.056 10 0 DGAEMP COC[C@H](C[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(C)C ZINC000721936591 1098191893 /nfs/dbraw/zinc/19/18/93/1098191893.db2.gz CKFOKCPIOJGART-SXLOBPIMSA-N 2 1 318.505 3.405 10 0 DGAEMP COc1cccc(F)c1[C@@H](C)[NH2+]CCCCn1cc[nH+]c1C ZINC000164627961 432050229 /nfs/dbraw/zinc/05/02/29/432050229.db2.gz KJLIDYIVONGSAO-CYBMUJFWSA-N 2 1 305.397 3.470 10 0 DGAEMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)[C@@H]1CCCO1 ZINC000180107461 199118032 /nfs/dbraw/zinc/11/80/32/199118032.db2.gz RKGJOLJBQHOZHY-PANBIXPWSA-N 2 1 314.473 3.339 10 0 DGAEMP CC[NH+](CC)CCC[NH2+]Cc1ccc(Br)c(F)c1 ZINC000135056071 432097241 /nfs/dbraw/zinc/09/72/41/432097241.db2.gz CECCUMDDPXTIGP-UHFFFAOYSA-N 2 1 317.246 3.410 10 0 DGAEMP COc1c(C)cc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)cc1C ZINC000092043263 193145168 /nfs/dbraw/zinc/14/51/68/193145168.db2.gz YKEQOSKHQQRXRW-MSOLQXFVSA-N 2 1 302.462 3.228 10 0 DGAEMP COc1c(C)cc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)cc1C ZINC000092043263 193145169 /nfs/dbraw/zinc/14/51/69/193145169.db2.gz YKEQOSKHQQRXRW-MSOLQXFVSA-N 2 1 302.462 3.228 10 0 DGAEMP COc1c(C)cc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C)C2)cc1C ZINC000092043263 193145170 /nfs/dbraw/zinc/14/51/70/193145170.db2.gz YKEQOSKHQQRXRW-MSOLQXFVSA-N 2 1 302.462 3.228 10 0 DGAEMP Cc1cccc([C@@H](C)[N@@H+]2CCCC[C@@H](N3CC[NH+](C)CC3)C2)c1 ZINC000246257379 432111676 /nfs/dbraw/zinc/11/16/76/432111676.db2.gz AMASQFNSCCIHPR-UYAOXDASSA-N 2 1 315.505 3.158 10 0 DGAEMP Cc1cccc([C@@H](C)[N@H+]2CCCC[C@@H](N3CC[NH+](C)CC3)C2)c1 ZINC000246257379 432111679 /nfs/dbraw/zinc/11/16/79/432111679.db2.gz AMASQFNSCCIHPR-UYAOXDASSA-N 2 1 315.505 3.158 10 0 DGAEMP Cc1ccc(C)c([C@@H]2C[N@@H+](CC3CC[NH2+]CC3)[C@@H](C)CO2)c1 ZINC000246269561 432112878 /nfs/dbraw/zinc/11/28/78/432112878.db2.gz LSDJDBIVCGYMPJ-LPHOPBHVSA-N 2 1 302.462 3.065 10 0 DGAEMP CCOc1cc(C[N@@H+](C)[C@H]2CC[NH+](CC)C[C@H]2C)ccc1OC ZINC000093639037 193278062 /nfs/dbraw/zinc/27/80/62/193278062.db2.gz RZLKFLHUVMFRFX-WBVHZDCISA-N 2 1 320.477 3.256 10 0 DGAEMP CCOc1cc(C[NH+](C)[C@H]2CC[N@H+](CC)C[C@H]2C)ccc1OC ZINC000093639037 193278064 /nfs/dbraw/zinc/27/80/64/193278064.db2.gz RZLKFLHUVMFRFX-WBVHZDCISA-N 2 1 320.477 3.256 10 0 DGAEMP CCOc1cc(C[NH+](C)[C@H]2CC[N@@H+](CC)C[C@H]2C)ccc1OC ZINC000093639037 193278066 /nfs/dbraw/zinc/27/80/66/193278066.db2.gz RZLKFLHUVMFRFX-WBVHZDCISA-N 2 1 320.477 3.256 10 0 DGAEMP COC[C@H](C)C[N@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000124332218 284257030 /nfs/dbraw/zinc/25/70/30/284257030.db2.gz BBYRNGKQBJJVRY-ZIFCJYIRSA-N 2 1 304.478 3.254 10 0 DGAEMP COC[C@H](C)C[N@@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000124332218 284257034 /nfs/dbraw/zinc/25/70/34/284257034.db2.gz BBYRNGKQBJJVRY-ZIFCJYIRSA-N 2 1 304.478 3.254 10 0 DGAEMP COC[C@H](C)C[NH+](C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000124332218 284257037 /nfs/dbraw/zinc/25/70/37/284257037.db2.gz BBYRNGKQBJJVRY-ZIFCJYIRSA-N 2 1 304.478 3.254 10 0 DGAEMP COC[C@H](C)C[NH+](C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000124332218 284257041 /nfs/dbraw/zinc/25/70/41/284257041.db2.gz BBYRNGKQBJJVRY-ZIFCJYIRSA-N 2 1 304.478 3.254 10 0 DGAEMP CCOc1c(Cl)cc(C[NH2+]CCC[NH+](C)C)cc1Cl ZINC000020477813 182222531 /nfs/dbraw/zinc/22/25/31/182222531.db2.gz BIPJZXAGVBMFPA-UHFFFAOYSA-N 2 1 305.249 3.433 10 0 DGAEMP Cn1cc[nH+]c1CC1CC[NH+](CCCOc2ccccc2)CC1 ZINC000171503083 432138659 /nfs/dbraw/zinc/13/86/59/432138659.db2.gz FPLMGXLMMBFNEW-UHFFFAOYSA-N 2 1 313.445 3.144 10 0 DGAEMP CC[C@H]([NH3+])[C@H](c1ccc(Br)cc1)n1cc[nH+]c1C ZINC000042955864 183322086 /nfs/dbraw/zinc/32/20/86/183322086.db2.gz FNYHZNGZSWLBII-KBPBESRZSA-N 2 1 308.223 3.281 10 0 DGAEMP C/C(=C/c1ccccc1)C[N@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000255729152 285177175 /nfs/dbraw/zinc/17/71/75/285177175.db2.gz HMZNMNLXVZHJAT-FDWYHIAWSA-N 2 1 316.489 3.115 10 0 DGAEMP CC[C@@](C)(O)C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000291473209 285248405 /nfs/dbraw/zinc/24/84/05/285248405.db2.gz PNHGKIYJEUJZJL-LJQANCHMSA-N 2 1 316.489 3.136 10 0 DGAEMP Cc1cc(C)c(C[N@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)cc1C ZINC000121076903 195290914 /nfs/dbraw/zinc/29/09/14/195290914.db2.gz ZQXSTYUQZLVDGF-GOSISDBHSA-N 2 1 318.505 3.136 10 0 DGAEMP c1cc(CN[C@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)sn1 ZINC000404463133 400294938 /nfs/dbraw/zinc/29/49/38/400294938.db2.gz VJBJWGVULXARRA-SZMVWBNQSA-N 2 1 313.470 3.143 10 0 DGAEMP c1cc(C[NH2+][C@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)sn1 ZINC000404463133 400294941 /nfs/dbraw/zinc/29/49/41/400294941.db2.gz VJBJWGVULXARRA-SZMVWBNQSA-N 2 1 313.470 3.143 10 0 DGAEMP c1cc(C[NH2+][C@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)sn1 ZINC000404463133 400294945 /nfs/dbraw/zinc/29/49/45/400294945.db2.gz VJBJWGVULXARRA-SZMVWBNQSA-N 2 1 313.470 3.143 10 0 DGAEMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCOC1CCCC1 ZINC000364458799 287029455 /nfs/dbraw/zinc/02/94/55/287029455.db2.gz PEAXHQYIIVLNIE-FXAWDEMLSA-N 2 1 316.489 3.446 10 0 DGAEMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCOC1CCCC1 ZINC000364458799 287029457 /nfs/dbraw/zinc/02/94/57/287029457.db2.gz PEAXHQYIIVLNIE-FXAWDEMLSA-N 2 1 316.489 3.446 10 0 DGAEMP c1cc2c(cc1[C@H]1CCC[N@H+]1CCC[NH+]1CCCC1)OCCO2 ZINC000193458468 165327035 /nfs/dbraw/zinc/32/70/35/165327035.db2.gz JPWSQNFAIJAJRV-QGZVFWFLSA-N 2 1 316.445 3.081 10 0 DGAEMP c1cc2c(cc1[C@H]1CCC[N@@H+]1CCC[NH+]1CCCC1)OCCO2 ZINC000193458468 165327037 /nfs/dbraw/zinc/32/70/37/165327037.db2.gz JPWSQNFAIJAJRV-QGZVFWFLSA-N 2 1 316.445 3.081 10 0 DGAEMP Cc1ccc(N2CCC([NH2+][C@H](C)c3cccc(O)c3)CC2)[nH+]c1 ZINC000194899957 165358496 /nfs/dbraw/zinc/35/84/96/165358496.db2.gz KKPANGVRBSHVPB-OAHLLOKOSA-N 2 1 311.429 3.415 10 0 DGAEMP C[N@@H+](Cc1cccnc1)C[C@H]1CC[NH+](CC2CCCCC2)C1 ZINC000190489741 432163758 /nfs/dbraw/zinc/16/37/58/432163758.db2.gz ITIUOEIEZNBTDG-LJQANCHMSA-N 2 1 301.478 3.416 10 0 DGAEMP C[N@H+](Cc1cccnc1)C[C@H]1CC[NH+](CC2CCCCC2)C1 ZINC000190489741 432163763 /nfs/dbraw/zinc/16/37/63/432163763.db2.gz ITIUOEIEZNBTDG-LJQANCHMSA-N 2 1 301.478 3.416 10 0 DGAEMP C[NH+](Cc1cccnc1)C[C@H]1CC[N@H+](CC2CCCCC2)C1 ZINC000190489741 432163766 /nfs/dbraw/zinc/16/37/66/432163766.db2.gz ITIUOEIEZNBTDG-LJQANCHMSA-N 2 1 301.478 3.416 10 0 DGAEMP C[NH+](Cc1cccnc1)C[C@H]1CC[N@@H+](CC2CCCCC2)C1 ZINC000190489741 432163771 /nfs/dbraw/zinc/16/37/71/432163771.db2.gz ITIUOEIEZNBTDG-LJQANCHMSA-N 2 1 301.478 3.416 10 0 DGAEMP CCc1nccn1[C@@H]1CCC[N@@H+](CCC(=O)c2ccccc2)C1 ZINC000182242978 432169221 /nfs/dbraw/zinc/16/92/21/432169221.db2.gz WHLMRFJORLFIMW-QGZVFWFLSA-N 2 1 311.429 3.355 10 0 DGAEMP Cc1cccc(NC[C@H]2CC[N@H+](CCC(=O)c3ccccc3)C2)[nH+]1 ZINC000182329463 432179232 /nfs/dbraw/zinc/17/92/32/432179232.db2.gz NLYQCJUKFPUWJU-QGZVFWFLSA-N 2 1 323.440 3.397 10 0 DGAEMP Cc1cccc(NC[C@H]2CC[N@@H+](CCC(=O)c3ccccc3)C2)[nH+]1 ZINC000182329463 432179236 /nfs/dbraw/zinc/17/92/36/432179236.db2.gz NLYQCJUKFPUWJU-QGZVFWFLSA-N 2 1 323.440 3.397 10 0 DGAEMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccccc2-n2ccc(C)n2)[C@H](C)C1 ZINC000127590971 431976141 /nfs/dbraw/zinc/97/61/41/431976141.db2.gz UBQNKCCCXFBUNP-QAPCUYQASA-N 2 1 312.461 3.001 10 0 DGAEMP CCC[N@@H+]1CC[C@H](C[NH2+][C@H]2CCCOc3cc(F)ccc32)C1 ZINC000248464053 432294962 /nfs/dbraw/zinc/29/49/62/432294962.db2.gz ZERRZJVDQKIYCA-PBHICJAKSA-N 2 1 306.425 3.361 10 0 DGAEMP CCC[N@H+]1CC[C@H](C[NH2+][C@H]2CCCOc3cc(F)ccc32)C1 ZINC000248464053 432294966 /nfs/dbraw/zinc/29/49/66/432294966.db2.gz ZERRZJVDQKIYCA-PBHICJAKSA-N 2 1 306.425 3.361 10 0 DGAEMP COc1cc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)ccc1SC ZINC000248014552 432262140 /nfs/dbraw/zinc/26/21/40/432262140.db2.gz LPRIFHLXEZUBLG-JKSUJKDBSA-N 2 1 320.502 3.333 10 0 DGAEMP COc1cc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)ccc1SC ZINC000248014552 432262142 /nfs/dbraw/zinc/26/21/42/432262142.db2.gz LPRIFHLXEZUBLG-JKSUJKDBSA-N 2 1 320.502 3.333 10 0 DGAEMP COc1cc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)ccc1SC ZINC000248014552 432262144 /nfs/dbraw/zinc/26/21/44/432262144.db2.gz LPRIFHLXEZUBLG-JKSUJKDBSA-N 2 1 320.502 3.333 10 0 DGAEMP COc1cc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)ccc1SC ZINC000248014552 432262145 /nfs/dbraw/zinc/26/21/45/432262145.db2.gz LPRIFHLXEZUBLG-JKSUJKDBSA-N 2 1 320.502 3.333 10 0 DGAEMP CCCC[C@H](CC)C[N@@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000248883931 432326254 /nfs/dbraw/zinc/32/62/54/432326254.db2.gz PMELJYOIOSTPPL-RBUKOAKNSA-N 2 1 309.542 3.305 10 0 DGAEMP CCCC[C@H](CC)C[N@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000248883931 432326258 /nfs/dbraw/zinc/32/62/58/432326258.db2.gz PMELJYOIOSTPPL-RBUKOAKNSA-N 2 1 309.542 3.305 10 0 DGAEMP C[C@H]1C[C@H]([N@@H+](C)CCOc2ccc(Cl)c(F)c2)CCN1C ZINC000192056195 432329693 /nfs/dbraw/zinc/32/96/93/432329693.db2.gz GKELFGGMWDVKEJ-QWHCGFSZSA-N 2 1 314.832 3.272 10 0 DGAEMP C[C@H]1C[C@H]([N@H+](C)CCOc2ccc(Cl)c(F)c2)CC[NH+]1C ZINC000192056195 432329707 /nfs/dbraw/zinc/32/97/07/432329707.db2.gz GKELFGGMWDVKEJ-QWHCGFSZSA-N 2 1 314.832 3.272 10 0 DGAEMP C[C@H]1C[C@H]([N@@H+](C)CCOc2ccc(Cl)c(F)c2)CC[NH+]1C ZINC000192056195 432329710 /nfs/dbraw/zinc/32/97/10/432329710.db2.gz GKELFGGMWDVKEJ-QWHCGFSZSA-N 2 1 314.832 3.272 10 0 DGAEMP CCCC[C@H](CC)C[NH+]1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000183616689 432309403 /nfs/dbraw/zinc/30/94/03/432309403.db2.gz UPMVOJDANNTQIP-RBUKOAKNSA-N 2 1 309.542 3.305 10 0 DGAEMP CCCC[C@@H](CC)C[NH+]1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000183616631 432310318 /nfs/dbraw/zinc/31/03/18/432310318.db2.gz UPMVOJDANNTQIP-MOPGFXCFSA-N 2 1 309.542 3.305 10 0 DGAEMP COc1ccc([C@H](C)C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)cc1 ZINC000252733729 432388929 /nfs/dbraw/zinc/38/89/29/432388929.db2.gz BKUNYJQAHIZMKE-SUMDDJOVSA-N 2 1 302.462 3.215 10 0 DGAEMP COc1ccc([C@H](C)C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)cc1 ZINC000252733729 432388932 /nfs/dbraw/zinc/38/89/32/432388932.db2.gz BKUNYJQAHIZMKE-SUMDDJOVSA-N 2 1 302.462 3.215 10 0 DGAEMP COc1ccc([C@H](C)C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C)C2)cc1 ZINC000252733729 432388936 /nfs/dbraw/zinc/38/89/36/432388936.db2.gz BKUNYJQAHIZMKE-SUMDDJOVSA-N 2 1 302.462 3.215 10 0 DGAEMP Cn1cc[nH+]c1CC1CC[NH+](CCC(Cl)(Cl)Cl)CC1 ZINC000184526710 432401284 /nfs/dbraw/zinc/40/12/84/432401284.db2.gz BJDBUEBRFFSSIL-UHFFFAOYSA-N 2 1 324.683 3.435 10 0 DGAEMP CCN(C[C@]1(C)CC[NH2+]C1)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000261913199 432459298 /nfs/dbraw/zinc/45/92/98/432459298.db2.gz YVLJVAPGFHWQBO-DFQSSKMNSA-N 2 1 315.505 3.143 10 0 DGAEMP C1C[C@@H]([NH2+][C@@H]2CC[C@H]3CCCC[C@@H]3C2)[C@@H]([C@H]2COCC[NH2+]2)C1 ZINC000261846722 432454320 /nfs/dbraw/zinc/45/43/20/432454320.db2.gz AVRUGJOQWRZTOT-WVXCVLBUSA-N 2 1 306.494 3.092 10 0 DGAEMP CC[N@H+]1CC[C@H]([NH+](C)CCCc2ccc3c(c2)CCO3)[C@H](C)C1 ZINC000193254059 432461721 /nfs/dbraw/zinc/46/17/21/432461721.db2.gz HIBGJUFSPLGYIF-APWZRJJASA-N 2 1 316.489 3.216 10 0 DGAEMP CC[NH+]1CC[C@H]([N@H+](C)CCCc2ccc3c(c2)CCO3)[C@H](C)C1 ZINC000193254059 432461725 /nfs/dbraw/zinc/46/17/25/432461725.db2.gz HIBGJUFSPLGYIF-APWZRJJASA-N 2 1 316.489 3.216 10 0 DGAEMP CC[NH+]1CC[C@H]([N@@H+](C)CCCc2ccc3c(c2)CCO3)[C@H](C)C1 ZINC000193254059 432461727 /nfs/dbraw/zinc/46/17/27/432461727.db2.gz HIBGJUFSPLGYIF-APWZRJJASA-N 2 1 316.489 3.216 10 0 DGAEMP CC(C)CC1(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)CCCC1 ZINC000261938380 432461822 /nfs/dbraw/zinc/46/18/22/432461822.db2.gz MMSVLHORGSEXLU-KSZLIROESA-N 2 1 308.510 3.340 10 0 DGAEMP c1ccc2c(c1)cccc2CC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1 ZINC000261979871 432466224 /nfs/dbraw/zinc/46/62/24/432466224.db2.gz RLLZHKBMHPCWQJ-HBMCJLEFSA-N 2 1 324.468 3.129 10 0 DGAEMP CCOc1ccc(C[N@H+](C)[C@H]2CCN(C)[C@H](C)C2)cc1OCC ZINC000177057984 432580283 /nfs/dbraw/zinc/58/02/83/432580283.db2.gz CLFYHLDLMGRYPE-WBVHZDCISA-N 2 1 320.477 3.399 10 0 DGAEMP CCOc1ccc(C[N@@H+](C)[C@H]2CCN(C)[C@H](C)C2)cc1OCC ZINC000177057984 432580285 /nfs/dbraw/zinc/58/02/85/432580285.db2.gz CLFYHLDLMGRYPE-WBVHZDCISA-N 2 1 320.477 3.399 10 0 DGAEMP COc1ccccc1C[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)C(C)C ZINC000158252609 432642027 /nfs/dbraw/zinc/64/20/27/432642027.db2.gz YDCOHYJRVIPTQC-AEFFLSMTSA-N 2 1 304.478 3.194 10 0 DGAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CCOc1c(C)cccc1C ZINC000178327174 432722363 /nfs/dbraw/zinc/72/23/63/432722363.db2.gz HRHZKCBUGSTVEB-SFHVURJKSA-N 2 1 313.445 3.352 10 0 DGAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CCOc1c(C)cccc1C ZINC000178327174 432722365 /nfs/dbraw/zinc/72/23/65/432722365.db2.gz HRHZKCBUGSTVEB-SFHVURJKSA-N 2 1 313.445 3.352 10 0 DGAEMP COC[C@H](C)C[NH2+]Cc1ccccc1C[N@H+]1CCC[C@H](C)C1 ZINC000187669477 432675742 /nfs/dbraw/zinc/67/57/42/432675742.db2.gz KAQJWOFIMOWXCF-DLBZAZTESA-N 2 1 304.478 3.291 10 0 DGAEMP Cc1nccn1C[C@@H]1CCC[N@H+]1Cc1ccc(-n2ccnc2)cc1 ZINC000178752233 432773186 /nfs/dbraw/zinc/77/31/86/432773186.db2.gz SIRHCLYHOKADHC-IBGZPJMESA-N 3 1 321.428 3.042 10 0 DGAEMP c1ccc2oc(C3CC[NH+](CCC[NH+]4CCCC4)CC3)nc2c1 ZINC000162682592 432831025 /nfs/dbraw/zinc/83/10/25/432831025.db2.gz RAAKLWNBPNHIDO-UHFFFAOYSA-N 2 1 313.445 3.493 10 0 DGAEMP CC[N@H+]1CC[C@H]([NH+](C)C/C=C/c2ccccc2OC)[C@@H](C)C1 ZINC000245761232 432861825 /nfs/dbraw/zinc/86/18/25/432861825.db2.gz PUVPSUOETFPKSJ-MDVISLEMSA-N 2 1 302.462 3.371 10 0 DGAEMP CC[NH+]1CC[C@H]([N@H+](C)C/C=C/c2ccccc2OC)[C@@H](C)C1 ZINC000245761232 432861827 /nfs/dbraw/zinc/86/18/27/432861827.db2.gz PUVPSUOETFPKSJ-MDVISLEMSA-N 2 1 302.462 3.371 10 0 DGAEMP CC[NH+]1CC[C@H]([N@@H+](C)C/C=C/c2ccccc2OC)[C@@H](C)C1 ZINC000245761232 432861828 /nfs/dbraw/zinc/86/18/28/432861828.db2.gz PUVPSUOETFPKSJ-MDVISLEMSA-N 2 1 302.462 3.371 10 0 DGAEMP Cc1cccnc1CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000296235991 432886891 /nfs/dbraw/zinc/88/68/91/432886891.db2.gz CGMKBUOMGYTFPS-WIYYLYMNSA-N 2 1 323.484 3.433 10 0 DGAEMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCN(C)[C@H]2c2ccc(Cl)cc2)CC[N@@H+]1C ZINC000245620162 432850744 /nfs/dbraw/zinc/85/07/44/432850744.db2.gz WKDWDGNNNDPVNN-PILAGYSTSA-N 2 1 321.896 3.158 10 0 DGAEMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCN(C)[C@H]2c2ccc(Cl)cc2)CC[N@H+]1C ZINC000245620162 432850746 /nfs/dbraw/zinc/85/07/46/432850746.db2.gz WKDWDGNNNDPVNN-PILAGYSTSA-N 2 1 321.896 3.158 10 0 DGAEMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+]CC[C@H]2CCOC2)C3)cc1 ZINC000447598026 433238585 /nfs/dbraw/zinc/23/85/85/433238585.db2.gz HEINTTJXPPAAFD-HAGHYFMRSA-N 2 1 314.473 3.198 10 0 DGAEMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)[C@H]2CCCc3ccccc32)CC1 ZINC000247926585 290085062 /nfs/dbraw/zinc/08/50/62/290085062.db2.gz ZXHVHTGOCHZMGT-JXFKEZNVSA-N 2 1 316.489 3.089 10 0 DGAEMP C[C@@H]1C[NH2+]CC[C@H]1[NH2+]Cc1cc(Br)ccc1Cl ZINC000414937906 433925647 /nfs/dbraw/zinc/92/56/47/433925647.db2.gz CVHUPAXRIHVFQJ-NOZJJQNGSA-N 2 1 317.658 3.190 10 0 DGAEMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CS1 ZINC000309772487 434096505 /nfs/dbraw/zinc/09/65/05/434096505.db2.gz HXTAFPXZNZGROP-VINWQNLFSA-N 2 1 316.514 3.381 10 0 DGAEMP c1ccc2c(c1)NCCC[C@H]2[NH2+]CCC[NH2+]Cc1cccnc1 ZINC000423191580 434275174 /nfs/dbraw/zinc/27/51/74/434275174.db2.gz SYMQFBWCWXOVLI-LJQANCHMSA-N 2 1 310.445 3.098 10 0 DGAEMP CCC[C@H](C[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12)OC ZINC000386509045 434314493 /nfs/dbraw/zinc/31/44/93/434314493.db2.gz WWVJKZVIXQRHEP-YSTOQKLRSA-N 2 1 316.489 3.302 10 0 DGAEMP C[C@H]1CC[C@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)O1 ZINC000390690436 434366883 /nfs/dbraw/zinc/36/68/83/434366883.db2.gz PJHHWVHGDFEGAB-QFMLELGNSA-N 2 1 314.473 3.339 10 0 DGAEMP CCC(CC)(CO)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000398091942 434458199 /nfs/dbraw/zinc/45/81/99/434458199.db2.gz JOABKGOHWWPOBE-HKUYNNGSSA-N 2 1 318.505 3.285 10 0 DGAEMP COC1(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)CCC1 ZINC000360438809 434605724 /nfs/dbraw/zinc/60/57/24/434605724.db2.gz ZZEYWTAJAKUASQ-SJLPKXTDSA-N 2 1 302.462 3.056 10 0 DGAEMP CC(C)(CO)CC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000453271011 434846173 /nfs/dbraw/zinc/84/61/73/434846173.db2.gz FUKADXPPGVZKIN-REPLKXPHSA-N 2 1 316.489 3.180 10 0 DGAEMP COc1ccc(OC)c(C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)c1 ZINC000536652093 435399232 /nfs/dbraw/zinc/39/92/32/435399232.db2.gz DRFSOFKCYFJOAP-UHFFFAOYSA-N 2 1 320.477 3.256 10 0 DGAEMP C[C@@H]([NH2+]Cc1cc(Cl)ccc1Br)[C@H]1CC[NH2+]C1 ZINC000569223335 435514326 /nfs/dbraw/zinc/51/43/26/435514326.db2.gz WABOBOBIQYSDPP-ZJUUUORDSA-N 2 1 317.658 3.190 10 0 DGAEMP c1ccc(C[N@H+]2CC[C@@H]([NH2+]CCc3ccncc3)CC23CC3)cc1 ZINC000516180656 435517799 /nfs/dbraw/zinc/51/77/99/435517799.db2.gz BHUCEUPMILJNSR-HXUWFJFHSA-N 2 1 321.468 3.411 10 0 DGAEMP c1ccc(C[N@@H+]2CC[C@@H]([NH2+]CCc3ccncc3)CC23CC3)cc1 ZINC000516180656 435517803 /nfs/dbraw/zinc/51/78/03/435517803.db2.gz BHUCEUPMILJNSR-HXUWFJFHSA-N 2 1 321.468 3.411 10 0 DGAEMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1CC[C@H](CO)CC1 ZINC000484500181 435546552 /nfs/dbraw/zinc/54/65/52/435546552.db2.gz HOOWNPQGTCMDDM-FRYIKTPZSA-N 2 1 316.489 3.038 10 0 DGAEMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1CC[C@H](CO)CC1 ZINC000484500181 435546557 /nfs/dbraw/zinc/54/65/57/435546557.db2.gz HOOWNPQGTCMDDM-FRYIKTPZSA-N 2 1 316.489 3.038 10 0 DGAEMP c1ccc2cc(OCC[N@H+]3CC[C@@]4(C3)CCC[NH2+]C4)ccc2c1 ZINC000564987067 315217442 /nfs/dbraw/zinc/21/74/42/315217442.db2.gz NNNDHQUWVPTCIJ-FQEVSTJZSA-N 2 1 310.441 3.294 10 0 DGAEMP COc1ccc([C@H](C)C[NH2+]C[C@@H](C)Cn2cc[nH+]c2C)cc1 ZINC000182461875 323299722 /nfs/dbraw/zinc/29/97/22/323299722.db2.gz LDIBKYLMGJESAF-HUUCEWRRSA-N 2 1 301.434 3.230 10 0 DGAEMP CC[C@@H]1CCC[C@H](C[N@@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)C1 ZINC000183057404 323323088 /nfs/dbraw/zinc/32/30/88/323323088.db2.gz LSJPZNMKAPRJPZ-LMMKCTJWSA-N 2 1 310.526 3.227 10 0 DGAEMP Clc1cc(C[NH2+]CCC[NH+]2CCC2)ccc1Br ZINC000580784633 324039254 /nfs/dbraw/zinc/03/92/54/324039254.db2.gz YHSHSUFTNSYQDJ-UHFFFAOYSA-N 2 1 317.658 3.288 10 0 DGAEMP Cc1nccn1C[C@H]1CCC[N@H+]1Cc1cccc2cnccc21 ZINC000183388221 546175582 /nfs/dbraw/zinc/17/55/82/546175582.db2.gz MPBPFSAVEDDRBK-GOSISDBHSA-N 2 1 306.413 3.404 10 0 DGAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1cccc2cnccc21 ZINC000183388221 546175587 /nfs/dbraw/zinc/17/55/87/546175587.db2.gz MPBPFSAVEDDRBK-GOSISDBHSA-N 2 1 306.413 3.404 10 0 DGAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1cccc2cnccc21 ZINC000183388221 546175592 /nfs/dbraw/zinc/17/55/92/546175592.db2.gz MPBPFSAVEDDRBK-GOSISDBHSA-N 2 1 306.413 3.404 10 0 DGAEMP c1ccc(C[N@@H+]2CCCC[C@@H](C[NH2+][C@H]3CCCOC3)C2)cc1 ZINC000336716396 546517576 /nfs/dbraw/zinc/51/75/76/546517576.db2.gz PFHFPKBYVDPLII-OALUTQOASA-N 2 1 302.462 3.057 10 0 DGAEMP CCCCOC(=O)CC[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000728685645 576194425 /nfs/dbraw/zinc/19/44/25/576194425.db2.gz BVWJSWMGMILABQ-SFHVURJKSA-N 2 1 324.509 3.308 10 0 DGAEMP CCCCOC(=O)CC[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000728685645 576194427 /nfs/dbraw/zinc/19/44/27/576194427.db2.gz BVWJSWMGMILABQ-SFHVURJKSA-N 2 1 324.509 3.308 10 0 DGAEMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1CCC(C)(O)CC1 ZINC000702988303 660752113 /nfs/dbraw/zinc/75/21/13/660752113.db2.gz MFEDBZHZOQSAHF-OXHPOLQJSA-N 2 1 316.489 3.180 10 0 DGAEMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1CCC(C)(O)CC1 ZINC000702988303 660752114 /nfs/dbraw/zinc/75/21/14/660752114.db2.gz MFEDBZHZOQSAHF-OXHPOLQJSA-N 2 1 316.489 3.180 10 0 DGAEMP CC[C@@H]1C[C@@H]([NH2+]C[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)CO1 ZINC000711223314 660941937 /nfs/dbraw/zinc/94/19/37/660941937.db2.gz MMGCJWGEUWINFX-QRVBRYPASA-N 2 1 302.462 3.056 10 0 DGAEMP C[C@@H]1C[N@@H+](Cc2cc(F)ccc2Br)C[C@H]1CC[NH3+] ZINC000723892362 655729099 /nfs/dbraw/zinc/72/90/99/655729099.db2.gz XISNBWDHPCXAFM-GHMZBOCLSA-N 2 1 315.230 3.005 10 0 DGAEMP CC[C@@H](CCO)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716620230 661225078 /nfs/dbraw/zinc/22/50/78/661225078.db2.gz MGFYMRKKQSBOBH-LEAZDLGRSA-N 2 1 316.489 3.038 10 0 DGAEMP C[C@@H](CO)CCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716623036 661225084 /nfs/dbraw/zinc/22/50/84/661225084.db2.gz XEHWDJXCGABGQY-GTAWCEEGSA-N 2 1 316.489 3.038 10 0 DGAEMP CC(C)(CCO)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716619581 661225156 /nfs/dbraw/zinc/22/51/56/661225156.db2.gz FKTKVXKRPBMQMP-FHWLQOOXSA-N 2 1 316.489 3.038 10 0 DGAEMP CCCCOCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716623072 661225159 /nfs/dbraw/zinc/22/51/59/661225159.db2.gz XJERQLQPDWGEPW-ZCNNSNEGSA-N 2 1 316.489 3.446 10 0 DGAEMP C[C@@H]1C[C@@H]([NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)CCO1 ZINC000716726630 661227936 /nfs/dbraw/zinc/22/79/36/661227936.db2.gz DUMGULSFFDVYID-ZKIDJSGLSA-N 2 1 314.473 3.197 10 0 DGAEMP CN(Cc1cccnc1)C[C@H]1CC[N@@H+](CCc2cccs2)C1 ZINC000195284781 656211443 /nfs/dbraw/zinc/21/14/43/656211443.db2.gz FVKGSZCPKZZNMZ-QGZVFWFLSA-N 2 1 315.486 3.140 10 0 DGAEMP C[N@@H+](Cc1cccnc1)C[C@H]1CC[NH+](CCc2cccs2)C1 ZINC000195284781 656211445 /nfs/dbraw/zinc/21/14/45/656211445.db2.gz FVKGSZCPKZZNMZ-QGZVFWFLSA-N 2 1 315.486 3.140 10 0 DGAEMP C[N@H+](Cc1cccnc1)C[C@H]1CC[NH+](CCc2cccs2)C1 ZINC000195284781 656211447 /nfs/dbraw/zinc/21/14/47/656211447.db2.gz FVKGSZCPKZZNMZ-QGZVFWFLSA-N 2 1 315.486 3.140 10 0 DGAEMP C[NH+](Cc1cccnc1)C[C@H]1CC[N@H+](CCc2cccs2)C1 ZINC000195284781 656211451 /nfs/dbraw/zinc/21/14/51/656211451.db2.gz FVKGSZCPKZZNMZ-QGZVFWFLSA-N 2 1 315.486 3.140 10 0 DGAEMP C[NH+](Cc1cccnc1)C[C@H]1CC[N@@H+](CCc2cccs2)C1 ZINC000195284781 656211453 /nfs/dbraw/zinc/21/14/53/656211453.db2.gz FVKGSZCPKZZNMZ-QGZVFWFLSA-N 2 1 315.486 3.140 10 0 DGAEMP c1ccc(C[N@@H+]2CCCC[C@@H](CN[C@H]3CCC[NH2+]CC3)C2)cc1 ZINC000261539014 656904741 /nfs/dbraw/zinc/90/47/41/656904741.db2.gz BJIVGXHHMDSSOQ-PMACEKPBSA-N 2 1 315.505 3.020 10 0 DGAEMP c1ccc(C[N@H+]2CCCC[C@@H](C[NH2+][C@H]3CCC[NH2+]CC3)C2)cc1 ZINC000261539014 656904744 /nfs/dbraw/zinc/90/47/44/656904744.db2.gz BJIVGXHHMDSSOQ-PMACEKPBSA-N 3 1 315.505 3.020 10 0 DGAEMP c1ccc(C[N@@H+]2CCCC[C@@H](C[NH2+][C@H]3CCC[NH2+]CC3)C2)cc1 ZINC000261539014 656904748 /nfs/dbraw/zinc/90/47/48/656904748.db2.gz BJIVGXHHMDSSOQ-PMACEKPBSA-N 3 1 315.505 3.020 10 0 DGAEMP CC(C)[C@](C)(C[NH3+])[NH2+]Cc1ccc(Br)c(F)c1 ZINC000261542989 656906260 /nfs/dbraw/zinc/90/62/60/656906260.db2.gz CNVBCXGCPQGUDT-ZDUSSCGKSA-N 2 1 303.219 3.051 10 0 DGAEMP C[N@@H+](Cc1cccc(F)c1Br)C1CCC([NH3+])CC1 ZINC000157018554 658975985 /nfs/dbraw/zinc/97/59/85/658975985.db2.gz GFBGYIHCDDSVOU-UHFFFAOYSA-N 2 1 315.230 3.290 10 0 DGAEMP COC(C)(C)[C@@H](C)[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000720148544 662302836 /nfs/dbraw/zinc/30/28/36/662302836.db2.gz KXDJYOMFZCXSQV-LULLPPNCSA-N 2 1 316.489 3.443 10 0 DGAEMP C=CCOc1ccc(C[NH2+]C2CC[NH+](CC)CC2)cc1Cl ZINC000066970420 1195579407 /nfs/dbraw/zinc/57/94/07/1195579407.db2.gz NYLSRKYCGTYBHE-UHFFFAOYSA-N 2 1 308.853 3.479 10 0 DGAEMP c1ccc(OCC2CC2)c(C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000067968444 1195685520 /nfs/dbraw/zinc/68/55/20/1195685520.db2.gz GNGNVMAVCDUKHO-INIZCTEOSA-N 2 1 300.446 3.049 10 0 DGAEMP c1ccc(OCC2CC2)c(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)c1 ZINC000067968444 1195685524 /nfs/dbraw/zinc/68/55/24/1195685524.db2.gz GNGNVMAVCDUKHO-INIZCTEOSA-N 2 1 300.446 3.049 10 0 DGAEMP CC(C)n1cc(C[NH2+]CC[C@H](C)[N@H+](C)Cc2ccccc2)cn1 ZINC000080206453 1197045146 /nfs/dbraw/zinc/04/51/46/1197045146.db2.gz RNZKDMIVWWYOSY-KRWDZBQOSA-N 2 1 314.477 3.464 10 0 DGAEMP CC(C)n1cc(C[NH2+]CC[C@H](C)[N@@H+](C)Cc2ccccc2)cn1 ZINC000080206453 1197045153 /nfs/dbraw/zinc/04/51/53/1197045153.db2.gz RNZKDMIVWWYOSY-KRWDZBQOSA-N 2 1 314.477 3.464 10 0 DGAEMP c1[nH]nc2c1[C@@H]([NH2+]C[C@H]1CCC[N@@H+](Cc3ccccc3)C1)CCC2 ZINC000401671689 1093963119 /nfs/dbraw/zinc/96/31/19/1093963119.db2.gz ZVYGQHZLDSKVIH-MJGOQNOKSA-N 2 1 324.472 3.289 10 0 DGAEMP COC[C@H](C[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(C)C ZINC000721936588 1098191714 /nfs/dbraw/zinc/19/17/14/1098191714.db2.gz CKFOKCPIOJGART-HOJAQTOUSA-N 2 1 318.505 3.405 10 0 DGAEMP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12)c1cnccn1 ZINC000310470068 231112907 /nfs/dbraw/zinc/11/29/07/231112907.db2.gz BCSQWHFNJRZDRT-WZGPROSRSA-N 2 1 322.456 3.038 10 0 DGAEMP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12)c1cnccn1 ZINC000310470068 231112909 /nfs/dbraw/zinc/11/29/09/231112909.db2.gz BCSQWHFNJRZDRT-WZGPROSRSA-N 2 1 322.456 3.038 10 0 DGAEMP Cc1nc2ccccc2nc1C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000172578463 198117959 /nfs/dbraw/zinc/11/79/59/198117959.db2.gz UKLKKNICVSZPBL-KRWDZBQOSA-N 2 1 324.472 3.389 10 0 DGAEMP Cc1nc2ccccc2nc1C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000172578463 198117961 /nfs/dbraw/zinc/11/79/61/198117961.db2.gz UKLKKNICVSZPBL-KRWDZBQOSA-N 2 1 324.472 3.389 10 0 DGAEMP CC[N@H+]1CC[C@@H]([NH2+]C2CCN(c3cccs3)CC2)[C@H](C)C1 ZINC000168421389 432068352 /nfs/dbraw/zinc/06/83/52/432068352.db2.gz WKEBHIULTPJWET-GDBMZVCRSA-N 2 1 307.507 3.037 10 0 DGAEMP Cc1ccc(F)cc1C[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000180113641 432078095 /nfs/dbraw/zinc/07/80/95/432078095.db2.gz GLTAEYPGLKSJIS-UHFFFAOYSA-N 2 1 301.409 3.322 10 0 DGAEMP c1ccc(CSCC[N@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)cc1 ZINC000415038135 237027765 /nfs/dbraw/zinc/02/77/65/237027765.db2.gz HKUYGLSANFNDEH-ROUUACIJSA-N 2 1 304.503 3.384 10 0 DGAEMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)CC[C@@H](C)c2ccccc2)CC1 ZINC000193903325 201141158 /nfs/dbraw/zinc/14/11/58/201141158.db2.gz YOAPPGNAWGNGFP-QZTJIDSGSA-N 2 1 318.505 3.205 10 0 DGAEMP CC(C)Cc1ncc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)s1 ZINC000246122701 432097289 /nfs/dbraw/zinc/09/72/89/432097289.db2.gz KKOHSBQKSXBOMD-GOEBONIOSA-N 2 1 307.507 3.258 10 0 DGAEMP CC(C)Cc1ncc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)s1 ZINC000246122701 432097292 /nfs/dbraw/zinc/09/72/92/432097292.db2.gz KKOHSBQKSXBOMD-GOEBONIOSA-N 2 1 307.507 3.258 10 0 DGAEMP CC(C)Cc1ncc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)s1 ZINC000246122701 432097296 /nfs/dbraw/zinc/09/72/96/432097296.db2.gz KKOHSBQKSXBOMD-GOEBONIOSA-N 2 1 307.507 3.258 10 0 DGAEMP CC(C)Cc1ncc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)s1 ZINC000246122701 432097300 /nfs/dbraw/zinc/09/73/00/432097300.db2.gz KKOHSBQKSXBOMD-GOEBONIOSA-N 2 1 307.507 3.258 10 0 DGAEMP C[C@@H]1C[C@@H]([NH+](C)CCOc2ccc(F)cc2Cl)CC[N@@H+]1C ZINC000091675619 193089629 /nfs/dbraw/zinc/08/96/29/193089629.db2.gz LELPKPBEOFWSIA-OCCSQVGLSA-N 2 1 314.832 3.272 10 0 DGAEMP C[C@@H]1C[C@@H]([NH+](C)CCOc2ccc(F)cc2Cl)CC[N@H+]1C ZINC000091675619 193089630 /nfs/dbraw/zinc/08/96/30/193089630.db2.gz LELPKPBEOFWSIA-OCCSQVGLSA-N 2 1 314.832 3.272 10 0 DGAEMP C[C@@H]1C[C@@H]([N@H+](C)CCOc2ccc(F)cc2Cl)CC[NH+]1C ZINC000091675619 193089632 /nfs/dbraw/zinc/08/96/32/193089632.db2.gz LELPKPBEOFWSIA-OCCSQVGLSA-N 2 1 314.832 3.272 10 0 DGAEMP C[C@@H]1C[C@@H]([N@@H+](C)CCOc2ccc(F)cc2Cl)CC[NH+]1C ZINC000091675619 193089633 /nfs/dbraw/zinc/08/96/33/193089633.db2.gz LELPKPBEOFWSIA-OCCSQVGLSA-N 2 1 314.832 3.272 10 0 DGAEMP C[C@@H]1C[C@@H]([NH+](C)Cc2ccc(OCC(F)F)cc2)CC[N@@H+]1C ZINC000093643967 193279945 /nfs/dbraw/zinc/27/99/45/193279945.db2.gz KGKCIACNKZLUGA-HIFRSBDPSA-N 2 1 312.404 3.245 10 0 DGAEMP C[C@@H]1C[C@@H]([NH+](C)Cc2ccc(OCC(F)F)cc2)CC[N@H+]1C ZINC000093643967 193279947 /nfs/dbraw/zinc/27/99/47/193279947.db2.gz KGKCIACNKZLUGA-HIFRSBDPSA-N 2 1 312.404 3.245 10 0 DGAEMP C[C@@H]1C[C@@H]([N@H+](C)Cc2ccc(OCC(F)F)cc2)CC[NH+]1C ZINC000093643967 193279950 /nfs/dbraw/zinc/27/99/50/193279950.db2.gz KGKCIACNKZLUGA-HIFRSBDPSA-N 2 1 312.404 3.245 10 0 DGAEMP C[C@@H]1C[C@@H]([N@@H+](C)Cc2ccc(OCC(F)F)cc2)CC[NH+]1C ZINC000093643967 193279951 /nfs/dbraw/zinc/27/99/51/193279951.db2.gz KGKCIACNKZLUGA-HIFRSBDPSA-N 2 1 312.404 3.245 10 0 DGAEMP C[C@@H]1C[C@@H]([NH+](C)Cc2ccc3c(c2)CC(C)(C)O3)CC[N@@H+]1C ZINC000093644205 193281914 /nfs/dbraw/zinc/28/19/14/193281914.db2.gz MTYJSYIKNXHQHZ-PBHICJAKSA-N 2 1 302.462 3.315 10 0 DGAEMP C[C@@H]1C[C@@H]([NH+](C)Cc2ccc3c(c2)CC(C)(C)O3)CC[N@H+]1C ZINC000093644205 193281916 /nfs/dbraw/zinc/28/19/16/193281916.db2.gz MTYJSYIKNXHQHZ-PBHICJAKSA-N 2 1 302.462 3.315 10 0 DGAEMP C[C@@H]1C[C@@H]([N@H+](C)Cc2ccc3c(c2)CC(C)(C)O3)CC[NH+]1C ZINC000093644205 193281917 /nfs/dbraw/zinc/28/19/17/193281917.db2.gz MTYJSYIKNXHQHZ-PBHICJAKSA-N 2 1 302.462 3.315 10 0 DGAEMP C[C@@H]1C[C@@H]([N@@H+](C)Cc2ccc3c(c2)CC(C)(C)O3)CC[NH+]1C ZINC000093644205 193281919 /nfs/dbraw/zinc/28/19/19/193281919.db2.gz MTYJSYIKNXHQHZ-PBHICJAKSA-N 2 1 302.462 3.315 10 0 DGAEMP CCc1[nH+]ccn1[C@H](c1cccc(Br)c1)[C@H](C)[NH3+] ZINC000043022268 183329372 /nfs/dbraw/zinc/32/93/72/183329372.db2.gz LHKKZSSQTVDHCZ-HZMBPMFUSA-N 2 1 308.223 3.145 10 0 DGAEMP CCC[NH+]1CCC(N(C)Cc2[nH+]cc(C)c(OC)c2C)CC1 ZINC000110031361 194303967 /nfs/dbraw/zinc/30/39/67/194303967.db2.gz GHPZXJOAUAJRLV-UHFFFAOYSA-N 2 1 305.466 3.013 10 0 DGAEMP Brc1c[nH+]ccc1N1CCC(C[NH+]2CCCC2)CC1 ZINC000164060060 532980111 /nfs/dbraw/zinc/98/01/11/532980111.db2.gz CQKGWQQYSQNFDW-UHFFFAOYSA-N 2 1 324.266 3.156 10 0 DGAEMP c1cc(C[NH+]2CCOCC2)ccc1C[NH2+][C@H]1CC[C@H]1C1CCC1 ZINC000337993536 253206437 /nfs/dbraw/zinc/20/64/37/253206437.db2.gz JHROZSTXAHXZIA-PMACEKPBSA-N 2 1 314.473 3.187 10 0 DGAEMP c1ccc(OC2CC2)c(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000290036104 221393406 /nfs/dbraw/zinc/39/34/06/221393406.db2.gz NSRFKGPYLLCMJB-MRXNPFEDSA-N 2 1 300.446 3.146 10 0 DGAEMP c1ccc(OC2CC2)c(C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000290036104 221393408 /nfs/dbraw/zinc/39/34/08/221393408.db2.gz NSRFKGPYLLCMJB-MRXNPFEDSA-N 2 1 300.446 3.146 10 0 DGAEMP COc1ccc([C@@H]2[C@H]3C[N@H+](C)C[C@H]3C[NH+]2Cc2ccccc2)cc1 ZINC000409430806 400301570 /nfs/dbraw/zinc/30/15/70/400301570.db2.gz NGGDENQKQQBPEO-SESVDKBCSA-N 2 1 322.452 3.430 10 0 DGAEMP COc1ccc([C@@H]2[C@H]3C[N@@H+](C)C[C@H]3C[NH+]2Cc2ccccc2)cc1 ZINC000409430806 400301572 /nfs/dbraw/zinc/30/15/72/400301572.db2.gz NGGDENQKQQBPEO-SESVDKBCSA-N 2 1 322.452 3.430 10 0 DGAEMP COc1ccc([C@@H]2[C@H]3C[NH+](C)C[C@H]3C[N@@H+]2Cc2ccccc2)cc1 ZINC000409430806 400301576 /nfs/dbraw/zinc/30/15/76/400301576.db2.gz NGGDENQKQQBPEO-SESVDKBCSA-N 2 1 322.452 3.430 10 0 DGAEMP COc1ccc([C@@H]2[C@H]3C[NH+](C)C[C@H]3C[N@H+]2Cc2ccccc2)cc1 ZINC000409430806 400301579 /nfs/dbraw/zinc/30/15/79/400301579.db2.gz NGGDENQKQQBPEO-SESVDKBCSA-N 2 1 322.452 3.430 10 0 DGAEMP CC(C)[N@@H+](C)CC1CC[NH+](CCOc2ccc(F)cc2)CC1 ZINC000590787074 400434415 /nfs/dbraw/zinc/43/44/15/400434415.db2.gz WKEJZJNVIULWFL-UHFFFAOYSA-N 2 1 308.441 3.257 10 0 DGAEMP c1ccc(CSCC[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)cc1 ZINC000592425527 400648496 /nfs/dbraw/zinc/64/84/96/400648496.db2.gz IAWGFTNJKSWSRH-ROUUACIJSA-N 2 1 304.503 3.384 10 0 DGAEMP CC(=O)c1c(C)cc(C)c(C[N@@H+]2CCC[C@H]3C[NH2+]CC[C@H]32)c1C ZINC000631887010 401564105 /nfs/dbraw/zinc/56/41/05/401564105.db2.gz NTMCRDOUCRKNLP-PKOBYXMFSA-N 2 1 314.473 3.388 10 0 DGAEMP CC(=O)c1c(C)cc(C)c(C[N@H+]2CCC[C@H]3C[NH2+]CC[C@H]32)c1C ZINC000631887010 401564108 /nfs/dbraw/zinc/56/41/08/401564108.db2.gz NTMCRDOUCRKNLP-PKOBYXMFSA-N 2 1 314.473 3.388 10 0 DGAEMP C[C@H]([NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1CCCCO1 ZINC000623975052 401607834 /nfs/dbraw/zinc/60/78/34/401607834.db2.gz XYQIBPFAXGLJMP-QXAKKESOSA-N 2 1 302.462 3.056 10 0 DGAEMP CC[N@H+](CCC1CC[NH+](Cc2ncc(C)cn2)CC1)CC(C)C ZINC000358733750 286136160 /nfs/dbraw/zinc/13/61/60/286136160.db2.gz CIDIVNQESPGPLV-UHFFFAOYSA-N 2 1 318.509 3.365 10 0 DGAEMP CC[N@@H+](CCC1CC[NH+](Cc2ncc(C)cn2)CC1)CC(C)C ZINC000358733750 286136161 /nfs/dbraw/zinc/13/61/61/286136161.db2.gz CIDIVNQESPGPLV-UHFFFAOYSA-N 2 1 318.509 3.365 10 0 DGAEMP COCCC1(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)CCCCC1 ZINC000187353550 165087595 /nfs/dbraw/zinc/08/75/95/165087595.db2.gz PIJCWRLFXPQKQU-SFHVURJKSA-N 2 1 308.510 3.391 10 0 DGAEMP CCCC[N@@H+](CCCO)Cc1ccc(-n2ccnc2)cc1C ZINC000192163068 165285341 /nfs/dbraw/zinc/28/53/41/165285341.db2.gz YPVZPFPAXSWJOI-UHFFFAOYSA-N 2 1 301.434 3.165 10 0 DGAEMP CN(Cc1cccnc1)C[C@@H]1CC[N@@H+](Cc2cccs2)C1 ZINC000190477104 432161224 /nfs/dbraw/zinc/16/12/24/432161224.db2.gz WYXOJJCXAQHVGK-INIZCTEOSA-N 2 1 301.459 3.097 10 0 DGAEMP C[N@@H+](Cc1cccnc1)C[C@@H]1CCN(Cc2cccs2)C1 ZINC000190477104 432161228 /nfs/dbraw/zinc/16/12/28/432161228.db2.gz WYXOJJCXAQHVGK-INIZCTEOSA-N 2 1 301.459 3.097 10 0 DGAEMP CN(Cc1cccnc1)C[C@H]1CC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000190471867 432161257 /nfs/dbraw/zinc/16/12/57/432161257.db2.gz WCTPVGFUVNOASF-GOSISDBHSA-N 2 1 313.420 3.175 10 0 DGAEMP C[N@@H+](Cc1cccnc1)C[C@H]1CCN(Cc2ccc(F)cc2)C1 ZINC000190471867 432161259 /nfs/dbraw/zinc/16/12/59/432161259.db2.gz WCTPVGFUVNOASF-GOSISDBHSA-N 2 1 313.420 3.175 10 0 DGAEMP CC[N@H+]1CC[C@@H](C[NH2+][C@H]2CCCOc3c(Cl)cccc32)C1 ZINC000246809499 432166170 /nfs/dbraw/zinc/16/61/70/432166170.db2.gz ANDNTVRQKLMBSN-BBRMVZONSA-N 2 1 308.853 3.485 10 0 DGAEMP CCN1CCC[C@H]([NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)C1 ZINC000247088416 432201579 /nfs/dbraw/zinc/20/15/79/432201579.db2.gz PGKIJZMNCQRUSB-QAPCUYQASA-N 2 1 312.461 3.316 10 0 DGAEMP C[C@@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1ccc([S@@](C)=O)cc1 ZINC000247092861 432202430 /nfs/dbraw/zinc/20/24/30/432202430.db2.gz OCSOHZDTHALDKS-GVMUQYNVSA-N 2 1 320.502 3.090 10 0 DGAEMP C[C@@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1ccc([S@@](C)=O)cc1 ZINC000247092861 432202434 /nfs/dbraw/zinc/20/24/34/432202434.db2.gz OCSOHZDTHALDKS-GVMUQYNVSA-N 2 1 320.502 3.090 10 0 DGAEMP C[C@H]1C[C@H](N(C)Cc2ccccc2OC(F)(F)F)CC[N@H+]1C ZINC000130667743 196099399 /nfs/dbraw/zinc/09/93/99/196099399.db2.gz LJZPONNXMLYYDY-GXTWGEPZSA-N 2 1 316.367 3.500 10 0 DGAEMP C[C@H]1C[C@H]([N@H+](C)Cc2ccccc2OC(F)(F)F)CCN1C ZINC000130667743 196099400 /nfs/dbraw/zinc/09/94/00/196099400.db2.gz LJZPONNXMLYYDY-GXTWGEPZSA-N 2 1 316.367 3.500 10 0 DGAEMP C[C@H]1C[C@H]([N@@H+](C)Cc2ccccc2OC(F)(F)F)CCN1C ZINC000130667743 196099402 /nfs/dbraw/zinc/09/94/02/196099402.db2.gz LJZPONNXMLYYDY-GXTWGEPZSA-N 2 1 316.367 3.500 10 0 DGAEMP COc1ccc(OC)c([C@@H](C)[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c1 ZINC000131831713 196203201 /nfs/dbraw/zinc/20/32/01/196203201.db2.gz CTEQPQIOQRXBPI-WZYMTQMTSA-N 2 1 318.461 3.370 10 0 DGAEMP c1ccc2c(c1)nc(CN[C@H]1CC[N@H+]3CCC[C@H]3C1)n2C1CC1 ZINC000355503443 266096323 /nfs/dbraw/zinc/09/63/23/266096323.db2.gz AYPYUKQOBFYXNY-HOCLYGCPSA-N 2 1 310.445 3.088 10 0 DGAEMP C[C@H](c1cccc(Cl)c1)[N@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000247574887 432243212 /nfs/dbraw/zinc/24/32/12/432243212.db2.gz HQRPAYAQKOCEHY-LSDHHAIUSA-N 2 1 324.896 3.426 10 0 DGAEMP C[C@H](CCc1ccccc1)[N@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000247778013 432250268 /nfs/dbraw/zinc/25/02/68/432250268.db2.gz REKVFMLSPCCWFQ-MSOLQXFVSA-N 2 1 318.505 3.032 10 0 DGAEMP C[C@@]1(CNc2ncnc3[nH]ccc32)CCC[N@H+]1Cc1ccccc1 ZINC000489949377 429268761 /nfs/dbraw/zinc/26/87/61/429268761.db2.gz UGYDCBDLEJPQBK-IBGZPJMESA-N 2 1 321.428 3.425 10 0 DGAEMP C[C@H]1C[C@H]([N@@H+](C)Cc2ccc(OC(F)(F)F)cc2)CCN1C ZINC000123602411 431869165 /nfs/dbraw/zinc/86/91/65/431869165.db2.gz DIBTYGKONUVWQN-GXTWGEPZSA-N 2 1 316.367 3.500 10 0 DGAEMP C[C@H]1C[C@H](N(C)Cc2ccc(OC(F)(F)F)cc2)CC[N@@H+]1C ZINC000123602411 431869167 /nfs/dbraw/zinc/86/91/67/431869167.db2.gz DIBTYGKONUVWQN-GXTWGEPZSA-N 2 1 316.367 3.500 10 0 DGAEMP C[C@H]1C[C@H](N(C)Cc2ccc(OC(F)(F)F)cc2)CC[N@H+]1C ZINC000123602411 431869169 /nfs/dbraw/zinc/86/91/69/431869169.db2.gz DIBTYGKONUVWQN-GXTWGEPZSA-N 2 1 316.367 3.500 10 0 DGAEMP C[C@H]1C[C@H]([NH+](C)Cc2ccc(OC(F)(F)F)cc2)CC[N@@H+]1C ZINC000123602411 431869172 /nfs/dbraw/zinc/86/91/72/431869172.db2.gz DIBTYGKONUVWQN-GXTWGEPZSA-N 2 1 316.367 3.500 10 0 DGAEMP C[C@H]1C[C@H]([NH+](C)Cc2ccc(OC(F)(F)F)cc2)CC[N@H+]1C ZINC000123602411 431869174 /nfs/dbraw/zinc/86/91/74/431869174.db2.gz DIBTYGKONUVWQN-GXTWGEPZSA-N 2 1 316.367 3.500 10 0 DGAEMP C[C@H]1C[C@H]([N@H+](C)Cc2ccc(OC(F)(F)F)cc2)CC[NH+]1C ZINC000123602411 431869175 /nfs/dbraw/zinc/86/91/75/431869175.db2.gz DIBTYGKONUVWQN-GXTWGEPZSA-N 2 1 316.367 3.500 10 0 DGAEMP C[C@H]1C[C@H]([N@@H+](C)Cc2ccc(OC(F)(F)F)cc2)CC[NH+]1C ZINC000123602411 431869178 /nfs/dbraw/zinc/86/91/78/431869178.db2.gz DIBTYGKONUVWQN-GXTWGEPZSA-N 2 1 316.367 3.500 10 0 DGAEMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+][C@H]1CCCN(c2cccc(F)c2)C1 ZINC000248122424 432268877 /nfs/dbraw/zinc/26/88/77/432268877.db2.gz NNGSEMDVHRKLCT-IIHSZXCVSA-N 2 1 319.468 3.113 10 0 DGAEMP Cc1cc(C)cc(OCCC[NH+](C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000248372096 432282069 /nfs/dbraw/zinc/28/20/69/432282069.db2.gz ZMKJDDGGJKOYLG-ZWKOTPCHSA-N 2 1 304.478 3.487 10 0 DGAEMP Cc1cc(C)cc(OCCC[NH+](C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000248372096 432282077 /nfs/dbraw/zinc/28/20/77/432282077.db2.gz ZMKJDDGGJKOYLG-ZWKOTPCHSA-N 2 1 304.478 3.487 10 0 DGAEMP Cc1cc(C)cc(OCCC[N@@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)c1 ZINC000248372096 432282080 /nfs/dbraw/zinc/28/20/80/432282080.db2.gz ZMKJDDGGJKOYLG-ZWKOTPCHSA-N 2 1 304.478 3.487 10 0 DGAEMP Cc1cc(C)cc(OCCC[N@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)c1 ZINC000248372096 432282085 /nfs/dbraw/zinc/28/20/85/432282085.db2.gz ZMKJDDGGJKOYLG-ZWKOTPCHSA-N 2 1 304.478 3.487 10 0 DGAEMP CC[C@@H](c1ccccc1)[N@@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000174882820 432377342 /nfs/dbraw/zinc/37/73/42/432377342.db2.gz PLOFGTOMDWDXNM-PMACEKPBSA-N 2 1 315.505 3.240 10 0 DGAEMP CC[C@@H](c1ccccc1)[N@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000174882820 432377346 /nfs/dbraw/zinc/37/73/46/432377346.db2.gz PLOFGTOMDWDXNM-PMACEKPBSA-N 2 1 315.505 3.240 10 0 DGAEMP c1sc2ccccc2c1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1 ZINC000261839519 432454353 /nfs/dbraw/zinc/45/43/53/432454353.db2.gz AGMVJKNWNBLLJN-ZACQAIPSSA-N 2 1 316.470 3.148 10 0 DGAEMP Cc1ncsc1C[N@@H+](C)C[C@H]1CCN(c2cc[nH+]cc2C)C1 ZINC000192822969 432419343 /nfs/dbraw/zinc/41/93/43/432419343.db2.gz UAVXMAJUQDLWCK-OAHLLOKOSA-N 2 1 316.474 3.113 10 0 DGAEMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3csc(-c4ccccc4)n3)C[C@@H]21 ZINC000262289266 432480056 /nfs/dbraw/zinc/48/00/56/432480056.db2.gz NAHWMJVZFHGNAJ-HYVNUMGLSA-N 2 1 313.470 3.369 10 0 DGAEMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3csc(-c4ccccc4)n3)C[C@@H]21 ZINC000262289266 432480061 /nfs/dbraw/zinc/48/00/61/432480061.db2.gz NAHWMJVZFHGNAJ-HYVNUMGLSA-N 2 1 313.470 3.369 10 0 DGAEMP Cc1cc(Br)cc2c1C[N@@H+](CC1CC[NH2+]CC1)CC2 ZINC000261938076 432462138 /nfs/dbraw/zinc/46/21/38/432462138.db2.gz MIZZXRCKDLMXKK-UHFFFAOYSA-N 2 1 323.278 3.115 10 0 DGAEMP c1ccc2cc(C[NH2+][C@@H]3CCC[C@@H]3[C@@H]3COCC[NH2+]3)ccc2c1 ZINC000261995611 432467882 /nfs/dbraw/zinc/46/78/82/432467882.db2.gz UAOSPGKHRKNMHH-ZCNNSNEGSA-N 2 1 310.441 3.087 10 0 DGAEMP COC[C@@H](C)C[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000187158565 432650114 /nfs/dbraw/zinc/65/01/14/432650114.db2.gz PARFNIKAVDCSJV-KRWDZBQOSA-N 2 1 304.478 3.113 10 0 DGAEMP C[C@H]1C[C@@H](N(C)Cc2ncc(-c3cccc(F)c3)o2)CC[N@H+]1C ZINC000177688435 432651002 /nfs/dbraw/zinc/65/10/02/432651002.db2.gz YXCBOSXQZCBZFU-BBRMVZONSA-N 2 1 317.408 3.395 10 0 DGAEMP COC[C@H](C)C[NH2+]Cc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000187666520 432677089 /nfs/dbraw/zinc/67/70/89/432677089.db2.gz DQJFIFDCTUGLLS-SJORKVTESA-N 2 1 304.478 3.433 10 0 DGAEMP CCOc1ccc(OCC[N@@H+](C)[C@H]2CC[NH+](CC)C[C@@H]2C)cc1 ZINC000245444832 432831842 /nfs/dbraw/zinc/83/18/42/432831842.db2.gz YKAYGJNABXNCDF-LPHOPBHVSA-N 2 1 320.477 3.126 10 0 DGAEMP CCOc1ccc(OCC[NH+](C)[C@H]2CC[N@H+](CC)C[C@@H]2C)cc1 ZINC000245444832 432831844 /nfs/dbraw/zinc/83/18/44/432831844.db2.gz YKAYGJNABXNCDF-LPHOPBHVSA-N 2 1 320.477 3.126 10 0 DGAEMP CCOc1ccc(OCC[NH+](C)[C@H]2CC[N@@H+](CC)C[C@@H]2C)cc1 ZINC000245444832 432831847 /nfs/dbraw/zinc/83/18/47/432831847.db2.gz YKAYGJNABXNCDF-LPHOPBHVSA-N 2 1 320.477 3.126 10 0 DGAEMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(C)c(OC)c(C)c2)[C@@H](C)C1 ZINC000245771538 432862099 /nfs/dbraw/zinc/86/20/99/432862099.db2.gz RWNVLTVTBLEVBF-WMZOPIPTSA-N 2 1 304.478 3.474 10 0 DGAEMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(C)c(OC)c(C)c2)[C@@H](C)C1 ZINC000245771538 432862101 /nfs/dbraw/zinc/86/21/01/432862101.db2.gz RWNVLTVTBLEVBF-WMZOPIPTSA-N 2 1 304.478 3.474 10 0 DGAEMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(C)c(OC)c(C)c2)[C@@H](C)C1 ZINC000245771538 432862102 /nfs/dbraw/zinc/86/21/02/432862102.db2.gz RWNVLTVTBLEVBF-WMZOPIPTSA-N 2 1 304.478 3.474 10 0 DGAEMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CCCN(c3ccccc3F)C2)[C@@H](C)C1 ZINC000245627442 432852079 /nfs/dbraw/zinc/85/20/79/432852079.db2.gz YXJNONUFOFXKHA-JZXOWHBKSA-N 2 1 319.468 3.114 10 0 DGAEMP CC[N@H+]1CC[C@@H](C[NH2+][C@H](COCc2ccccc2)C(C)C)C1 ZINC000446750072 433098800 /nfs/dbraw/zinc/09/88/00/433098800.db2.gz DQLMWAQJZGDELH-RBUKOAKNSA-N 2 1 304.478 3.159 10 0 DGAEMP c1ccc2c(c1)cccc2OCC[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420374843 433186569 /nfs/dbraw/zinc/18/65/69/433186569.db2.gz NYHRUIXPOLVXPF-FQEVSTJZSA-N 2 1 310.441 3.294 10 0 DGAEMP CC(C)OCC[NH+]1CCC([NH2+][C@@H]2CCc3ccccc32)CC1 ZINC000157978703 292757105 /nfs/dbraw/zinc/75/71/05/292757105.db2.gz SOEYLVCWCGHVQV-LJQANCHMSA-N 2 1 302.462 3.153 10 0 DGAEMP c1ccc(CN2CCCO[C@@H](C[N@H+]3CCCC34CCC4)C2)cc1 ZINC000375334519 433432245 /nfs/dbraw/zinc/43/22/45/433432245.db2.gz CPJDACSQVHNLFI-LJQANCHMSA-N 2 1 314.473 3.296 10 0 DGAEMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@H]1CCCS1 ZINC000362024189 433495767 /nfs/dbraw/zinc/49/57/67/433495767.db2.gz IAXQETDEMCNDLN-KBAYOESNSA-N 2 1 304.503 3.382 10 0 DGAEMP COc1ccc(F)c(C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2C)c1 ZINC000294155988 434019133 /nfs/dbraw/zinc/01/91/33/434019133.db2.gz IIFMGZWQABRAOD-HNNXBMFYSA-N 2 1 303.381 3.004 10 0 DGAEMP COc1ccc(F)c(C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2C)c1 ZINC000294155988 434019142 /nfs/dbraw/zinc/01/91/42/434019142.db2.gz IIFMGZWQABRAOD-HNNXBMFYSA-N 2 1 303.381 3.004 10 0 DGAEMP C[C@@H]1C[C@H]([NH2+][C@@H]2COCC2(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000313130039 434123163 /nfs/dbraw/zinc/12/31/63/434123163.db2.gz YAZIGRIPSSCVBH-KBAYOESNSA-N 2 1 302.462 3.054 10 0 DGAEMP C[C@@H]1C[C@H]([NH2+][C@@H]2COCC2(C)C)CC[N@H+]1Cc1ccccc1 ZINC000313130039 434123171 /nfs/dbraw/zinc/12/31/71/434123171.db2.gz YAZIGRIPSSCVBH-KBAYOESNSA-N 2 1 302.462 3.054 10 0 DGAEMP Cc1cccnc1CC[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000295068207 434179789 /nfs/dbraw/zinc/17/97/89/434179789.db2.gz QUVMALBYGHDKTJ-ICSRJNTNSA-N 2 1 323.484 3.433 10 0 DGAEMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)[C@@H](C)O1 ZINC000384934319 434295623 /nfs/dbraw/zinc/29/56/23/434295623.db2.gz QICCZKJMAQRDNP-MSPXFKQSSA-N 2 1 314.473 3.053 10 0 DGAEMP c1ccc2c(c1)OCC[C@@H]2C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000388773704 434334589 /nfs/dbraw/zinc/33/45/89/434334589.db2.gz GOXLIEUSUUYCMX-NUJGCVRESA-N 2 1 300.446 3.017 10 0 DGAEMP c1cncc(C[NH2+]CCC[NH2+][C@H]2CCC[C@H](c3cccnc3)C2)c1 ZINC000423190644 434277848 /nfs/dbraw/zinc/27/78/48/434277848.db2.gz RGOAEKHGMBJXAY-ICSRJNTNSA-N 2 1 324.472 3.272 10 0 DGAEMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1CCC([NH3+])CC1 ZINC000390563730 434363284 /nfs/dbraw/zinc/36/32/84/434363284.db2.gz BAOGJGHYGQHGEG-CTWPCTMYSA-N 3 1 315.505 3.147 10 0 DGAEMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1CCC([NH3+])CC1 ZINC000390563730 434363289 /nfs/dbraw/zinc/36/32/89/434363289.db2.gz BAOGJGHYGQHGEG-CTWPCTMYSA-N 3 1 315.505 3.147 10 0 DGAEMP COC[C@@H](C)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000390655849 434366449 /nfs/dbraw/zinc/36/64/49/434366449.db2.gz KSKKVFHLBKIXLX-FUHWJXTLSA-N 2 1 304.478 3.159 10 0 DGAEMP COC[C@@H](C)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000390655849 434366462 /nfs/dbraw/zinc/36/64/62/434366462.db2.gz KSKKVFHLBKIXLX-FUHWJXTLSA-N 2 1 304.478 3.159 10 0 DGAEMP COC[C@H](C)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000390655826 434366563 /nfs/dbraw/zinc/36/65/63/434366563.db2.gz KSKKVFHLBKIXLX-AEFFLSMTSA-N 2 1 304.478 3.159 10 0 DGAEMP COC[C@H](C)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000390655826 434366572 /nfs/dbraw/zinc/36/65/72/434366572.db2.gz KSKKVFHLBKIXLX-AEFFLSMTSA-N 2 1 304.478 3.159 10 0 DGAEMP c1ccc2c(c1)OCC[C@@H]2C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000388773703 434337705 /nfs/dbraw/zinc/33/77/05/434337705.db2.gz GOXLIEUSUUYCMX-JFIYKMOQSA-N 2 1 300.446 3.017 10 0 DGAEMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)[C@H](C)O1 ZINC000295677316 434430859 /nfs/dbraw/zinc/43/08/59/434430859.db2.gz KPKWGNIJDKHJCH-VYDRJQSISA-N 2 1 302.462 3.195 10 0 DGAEMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)[C@H](C)O1 ZINC000295677316 434430868 /nfs/dbraw/zinc/43/08/68/434430868.db2.gz KPKWGNIJDKHJCH-VYDRJQSISA-N 2 1 302.462 3.195 10 0 DGAEMP c1ccc(CC[NH+]2CCC([NH2+]CC[C@H]3CCCOC3)CC2)cc1 ZINC000527740537 295123649 /nfs/dbraw/zinc/12/36/49/295123649.db2.gz VDPHKEJMHVEVDN-LJQANCHMSA-N 2 1 316.489 3.100 10 0 DGAEMP CC[N@@H+](CCN[C@H]1CC[NH+](Cc2ccccc2)C[C@H]1C)C(C)C ZINC000360928776 434733031 /nfs/dbraw/zinc/73/30/31/434733031.db2.gz CBPVZUCBRQMHGT-QUCCMNQESA-N 2 1 317.521 3.217 10 0 DGAEMP CC[NH+](CCN[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)C(C)C ZINC000360928776 434733040 /nfs/dbraw/zinc/73/30/40/434733040.db2.gz CBPVZUCBRQMHGT-QUCCMNQESA-N 2 1 317.521 3.217 10 0 DGAEMP CC[C@](C)(O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000453104568 434803627 /nfs/dbraw/zinc/80/36/27/434803627.db2.gz UYENGPGARKSVNI-ZRNYENFQSA-N 2 1 316.489 3.180 10 0 DGAEMP c1cc(C[NH+]2CCCCC2)ccc1C[N@H+]1C[C@@H]2C[C@H]1CS2 ZINC000411819434 434832867 /nfs/dbraw/zinc/83/28/67/434832867.db2.gz NAOHRQGVFWIHBD-ROUUACIJSA-N 2 1 302.487 3.362 10 0 DGAEMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(C(=O)OC(C)(C)C)cc2)C1 ZINC000462799899 434930322 /nfs/dbraw/zinc/93/03/22/434930322.db2.gz ZHNHEVPZQFZXEU-INIZCTEOSA-N 2 1 318.461 3.073 10 0 DGAEMP CC(C)C[C@H](C)[NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000531677771 435108889 /nfs/dbraw/zinc/10/88/89/435108889.db2.gz VYQWQVMZMRFXBT-JKSUJKDBSA-N 2 1 309.523 3.061 10 0 DGAEMP c1ccc(C[N@H+]2CC[C@H]([NH2+]CC3=CCCOC3)CC23CC3)cc1 ZINC000579836372 435185302 /nfs/dbraw/zinc/18/53/02/435185302.db2.gz HRCLSTIGQRNPHD-IBGZPJMESA-N 2 1 312.457 3.120 10 0 DGAEMP c1ccc(C[N@@H+]2CC[C@H]([NH2+]CC3=CCCOC3)CC23CC3)cc1 ZINC000579836372 435185307 /nfs/dbraw/zinc/18/53/07/435185307.db2.gz HRCLSTIGQRNPHD-IBGZPJMESA-N 2 1 312.457 3.120 10 0 DGAEMP C[N@@H+]1CC[C@@H](C[NH2+]CCc2ccccc2F)[C@@H]1c1cccnc1 ZINC000583623954 435244246 /nfs/dbraw/zinc/24/42/46/435244246.db2.gz YSGKTVFSPRTOLM-HKUYNNGSSA-N 2 1 313.420 3.046 10 0 DGAEMP C[N@H+]1CC[C@@H](C[NH2+]CCc2ccccc2F)[C@@H]1c1cccnc1 ZINC000583623954 435244250 /nfs/dbraw/zinc/24/42/50/435244250.db2.gz YSGKTVFSPRTOLM-HKUYNNGSSA-N 2 1 313.420 3.046 10 0 DGAEMP CC(=O)c1c(C)cc(C)c(C[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)c1C ZINC000569927642 435572796 /nfs/dbraw/zinc/57/27/96/435572796.db2.gz FDULIFMYMNTOLT-HXUWFJFHSA-N 2 1 314.473 3.390 10 0 DGAEMP CC(=O)c1c(C)cc(C)c(C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)c1C ZINC000569927642 435572801 /nfs/dbraw/zinc/57/28/01/435572801.db2.gz FDULIFMYMNTOLT-HXUWFJFHSA-N 2 1 314.473 3.390 10 0 DGAEMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1CC[C@H](CO)CC1 ZINC000484500185 435544941 /nfs/dbraw/zinc/54/49/41/435544941.db2.gz HOOWNPQGTCMDDM-VBSBHUPXSA-N 2 1 316.489 3.038 10 0 DGAEMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1CC[C@H](CO)CC1 ZINC000484500185 435544946 /nfs/dbraw/zinc/54/49/46/435544946.db2.gz HOOWNPQGTCMDDM-VBSBHUPXSA-N 2 1 316.489 3.038 10 0 DGAEMP c1c2c(cc3c1OCCC[C@@H]3[NH2+]C1CC[NH2+]CC1)CCCC2 ZINC000423182415 304850534 /nfs/dbraw/zinc/85/05/34/304850534.db2.gz KHBLCZKHPMHMPB-SFHVURJKSA-N 2 1 300.446 3.121 10 0 DGAEMP CC[N@@H+](CCC1CC[NH+]([C@H](C(=O)OC)C2CC2)CC1)CC(C)C ZINC000542916136 314105688 /nfs/dbraw/zinc/10/56/88/314105688.db2.gz INCSNADWXXNLAC-SFHVURJKSA-N 2 1 324.509 3.018 10 0 DGAEMP Cc1cc(C)c(C[N@H+](C)CCN(C)C2CC[NH+](C)CC2)c(C)c1 ZINC000180940814 323241395 /nfs/dbraw/zinc/24/13/95/323241395.db2.gz KAGWNMVYWFTGGV-UHFFFAOYSA-N 2 1 317.521 3.070 10 0 DGAEMP CC[N@H+]1CC[C@H]([NH+](C)CCCOCc2ccccc2)[C@H](C)C1 ZINC000182528551 323303693 /nfs/dbraw/zinc/30/36/93/323303693.db2.gz WJMYSNKKGGGSFE-MJGOQNOKSA-N 2 1 304.478 3.255 10 0 DGAEMP CC[NH+]1CC[C@H]([N@H+](C)CCCOCc2ccccc2)[C@H](C)C1 ZINC000182528551 323303698 /nfs/dbraw/zinc/30/36/98/323303698.db2.gz WJMYSNKKGGGSFE-MJGOQNOKSA-N 2 1 304.478 3.255 10 0 DGAEMP CC[NH+]1CC[C@H]([N@@H+](C)CCCOCc2ccccc2)[C@H](C)C1 ZINC000182528551 323303701 /nfs/dbraw/zinc/30/37/01/323303701.db2.gz WJMYSNKKGGGSFE-MJGOQNOKSA-N 2 1 304.478 3.255 10 0 DGAEMP Cc1ccncc1C[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000310497458 534421236 /nfs/dbraw/zinc/42/12/36/534421236.db2.gz IONSKDFULSSZNS-CEWLAPEOSA-N 2 1 321.468 3.390 10 0 DGAEMP c1nc(C[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)co1 ZINC000432727448 534527351 /nfs/dbraw/zinc/52/73/51/534527351.db2.gz HFJRWRFJVGSRSI-UHFFFAOYSA-N 2 1 311.429 3.163 10 0 DGAEMP c1nc(C[NH+]2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)co1 ZINC000432727448 534527357 /nfs/dbraw/zinc/52/73/57/534527357.db2.gz HFJRWRFJVGSRSI-UHFFFAOYSA-N 2 1 311.429 3.163 10 0 DGAEMP O[C@H](C[C@H]1CCCCC[N@H+]1CCC[NH+]1CCCC1)c1ccco1 ZINC000163399693 526293909 /nfs/dbraw/zinc/29/39/09/526293909.db2.gz UNNUXKPNRGHNAB-QZTJIDSGSA-N 2 1 320.477 3.434 10 0 DGAEMP Cc1ncc([C@H](C)[NH2+]C2CCN(c3ccc(C)c[nH+]3)CC2)s1 ZINC000090417920 527308011 /nfs/dbraw/zinc/30/80/11/527308011.db2.gz NNORDNBVPDHMOV-ZDUSSCGKSA-N 2 1 316.474 3.475 10 0 DGAEMP CC[N@H+]1CC[C@@H]([NH+](C)CCCc2cccc(OC)c2)[C@H](C)C1 ZINC000175730714 527752602 /nfs/dbraw/zinc/75/26/02/527752602.db2.gz XZZUCRZWAULBIA-VQIMIIECSA-N 2 1 304.478 3.290 10 0 DGAEMP CC[NH+]1CC[C@@H]([N@H+](C)CCCc2cccc(OC)c2)[C@H](C)C1 ZINC000175730714 527752607 /nfs/dbraw/zinc/75/26/07/527752607.db2.gz XZZUCRZWAULBIA-VQIMIIECSA-N 2 1 304.478 3.290 10 0 DGAEMP CC[NH+]1CC[C@@H]([N@@H+](C)CCCc2cccc(OC)c2)[C@H](C)C1 ZINC000175730714 527752610 /nfs/dbraw/zinc/75/26/10/527752610.db2.gz XZZUCRZWAULBIA-VQIMIIECSA-N 2 1 304.478 3.290 10 0 DGAEMP Cn1cccc1C[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000272618546 546357488 /nfs/dbraw/zinc/35/74/88/546357488.db2.gz XQIBWNOYTLKVRN-YZGWKJHDSA-N 2 1 309.457 3.025 10 0 DGAEMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC1CCC(O)CC1 ZINC000398143413 546762957 /nfs/dbraw/zinc/76/29/57/546762957.db2.gz NARJHCAHUWTHEJ-OYGLOCFBSA-N 2 1 316.489 3.038 10 0 DGAEMP C[C@@]1(CNC(=[NH2+])NC2CCCC2)CCC[N@H+]1Cc1ccccc1 ZINC000153558582 620579381 /nfs/dbraw/zinc/57/93/81/620579381.db2.gz AMOWAJYGIAQUMS-IBGZPJMESA-N 2 1 314.477 3.098 10 0 DGAEMP C[C@@H](CC[NH2+]Cc1ccc(Br)c(F)c1)[NH+](C)C ZINC000700544156 660628615 /nfs/dbraw/zinc/62/86/15/660628615.db2.gz FJTBOXTWLFEFFC-JTQLQIEISA-N 2 1 303.219 3.018 10 0 DGAEMP C[C@@H](c1ccccc1Br)[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723905773 655729332 /nfs/dbraw/zinc/72/93/32/655729332.db2.gz NMBYKOQMXGNRSF-FRRDWIJNSA-N 2 1 311.267 3.427 10 0 DGAEMP Cc1nccn1C[C@H]1CCC[N@H+]1Cn1cc(-c2ccccc2)cn1 ZINC000176084363 655733523 /nfs/dbraw/zinc/73/35/23/655733523.db2.gz GDSKUXQGXBDRRZ-LJQANCHMSA-N 2 1 321.428 3.177 10 0 DGAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cn1cc(-c2ccccc2)cn1 ZINC000176084363 655733525 /nfs/dbraw/zinc/73/35/25/655733525.db2.gz GDSKUXQGXBDRRZ-LJQANCHMSA-N 2 1 321.428 3.177 10 0 DGAEMP CC(C)[C@@](C)(O)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716619031 661225170 /nfs/dbraw/zinc/22/51/70/661225170.db2.gz AOWOVLOYMVETKX-MUGJNUQGSA-N 2 1 316.489 3.036 10 0 DGAEMP CO[C@@H]1CCC[C@H]1[NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000310013436 656129544 /nfs/dbraw/zinc/12/95/44/656129544.db2.gz LYXVHQCWXWONGI-GUDVDZBRSA-N 2 1 302.462 3.056 10 0 DGAEMP CC(C)(CO)CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716697564 661227335 /nfs/dbraw/zinc/22/73/35/661227335.db2.gz HLCCOOZYXBVBKG-FHWLQOOXSA-N 2 1 316.489 3.038 10 0 DGAEMP CO[C@H](C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2)C1CC1 ZINC000716692399 661227610 /nfs/dbraw/zinc/22/76/10/661227610.db2.gz LQSDWIASIVWDOV-OJAHFUOMSA-N 2 1 314.473 3.054 10 0 DGAEMP CO[C@@H](C[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2)C1CC1 ZINC000716692396 661227656 /nfs/dbraw/zinc/22/76/56/661227656.db2.gz LQSDWIASIVWDOV-LEAZDLGRSA-N 2 1 314.473 3.054 10 0 DGAEMP C[C@H](CC(C)(C)O)[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716688844 661227686 /nfs/dbraw/zinc/22/76/86/661227686.db2.gz BXDMVSDVRWJXIA-LULLPPNCSA-N 2 1 316.489 3.179 10 0 DGAEMP FC(F)OCCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716685869 661227738 /nfs/dbraw/zinc/22/77/38/661227738.db2.gz XPIFWNFKUCLNRF-ULQDDVLXSA-N 2 1 324.415 3.258 10 0 DGAEMP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)CCO1 ZINC000716726628 661228099 /nfs/dbraw/zinc/22/80/99/661228099.db2.gz DUMGULSFFDVYID-JUSBFGHESA-N 2 1 314.473 3.197 10 0 DGAEMP Cc1ccc(CC[N@@H+](C[C@H]2CCCO2)C[C@]2(C)CC[NH2+]C2)cc1 ZINC000261958466 657257576 /nfs/dbraw/zinc/25/75/76/657257576.db2.gz GYAZTYXIPKYXRE-WOJBJXKFSA-N 2 1 316.489 3.018 10 0 DGAEMP COc1ccc(/C=C\C[NH+]2CCC3(CC[N@@H+](C)C3)CC2)cc1 ZINC000096840063 657559206 /nfs/dbraw/zinc/55/92/06/657559206.db2.gz IEVVJYMDNBRLFO-ARJAWSKDSA-N 2 1 300.446 3.126 10 0 DGAEMP Cc1cc(C)cc([C@H](O)C[N@H+](C)CC[C@@H]2CCCC[NH+]2C)c1 ZINC000173949234 659406594 /nfs/dbraw/zinc/40/65/94/659406594.db2.gz NMZZAZNRFBLSOU-RBUKOAKNSA-N 2 1 304.478 3.143 10 0 DGAEMP Cc1cc(C)cc([C@H](O)C[N@@H+](C)CC[C@@H]2CCCC[NH+]2C)c1 ZINC000173949234 659406595 /nfs/dbraw/zinc/40/65/95/659406595.db2.gz NMZZAZNRFBLSOU-RBUKOAKNSA-N 2 1 304.478 3.143 10 0 DGAEMP Cc1cc(C)cc([C@H](O)C[NH+](C)CC[C@@H]2CCCC[N@@H+]2C)c1 ZINC000173949234 659406596 /nfs/dbraw/zinc/40/65/96/659406596.db2.gz NMZZAZNRFBLSOU-RBUKOAKNSA-N 2 1 304.478 3.143 10 0 DGAEMP Cc1cc(C)cc([C@H](O)C[NH+](C)CC[C@@H]2CCCC[N@H+]2C)c1 ZINC000173949234 659406597 /nfs/dbraw/zinc/40/65/97/659406597.db2.gz NMZZAZNRFBLSOU-RBUKOAKNSA-N 2 1 304.478 3.143 10 0 DGAEMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1CCCc2n[nH]cc21 ZINC000353521757 659995556 /nfs/dbraw/zinc/99/55/56/659995556.db2.gz SLCLPJRTEHGBNW-LZQZEXGQSA-N 2 1 324.472 3.287 10 0 DGAEMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1CCCc2n[nH]cc21 ZINC000353521757 659995558 /nfs/dbraw/zinc/99/55/58/659995558.db2.gz SLCLPJRTEHGBNW-LZQZEXGQSA-N 2 1 324.472 3.287 10 0 DGAEMP CCC[NH+]1CCC(C[NH2+]Cc2c(O)ccc(Cl)c2F)CC1 ZINC000190954985 662050507 /nfs/dbraw/zinc/05/05/07/662050507.db2.gz JACYYCIMXDYBQG-UHFFFAOYSA-N 2 1 314.832 3.396 10 0 DGAEMP C[N@@H+](CCOCc1ccccc1)CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000384159086 685170843 /nfs/dbraw/zinc/17/08/43/685170843.db2.gz FOEVORAUHILDJO-YQQQUEKLSA-N 2 1 302.462 3.056 10 0 DGAEMP FC(F)(F)CCC[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309908403 1176768664 /nfs/dbraw/zinc/76/86/64/1176768664.db2.gz RCPJJEJYXZNNOI-OAHLLOKOSA-N 2 1 300.368 3.441 10 0 DGAEMP COC[C@H](C[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(C)C ZINC000721936590 1098191880 /nfs/dbraw/zinc/19/18/80/1098191880.db2.gz CKFOKCPIOJGART-RLLQIKCJSA-N 2 1 318.505 3.405 10 0 DGAEMP Cc1ncc(CN[C@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)o1 ZINC000716681077 1100576230 /nfs/dbraw/zinc/57/62/30/1100576230.db2.gz KHEREFUVAVSHKV-BZSNNMDCSA-N 2 1 311.429 3.126 10 0 DGAEMP CSCCCC[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000131491280 432040407 /nfs/dbraw/zinc/04/04/07/432040407.db2.gz ICZPIEQAJZQYIT-UHFFFAOYSA-N 2 1 306.519 3.426 10 0 DGAEMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCN(C)[C@@H]2c2ccc(Cl)cc2)CC[N@@H+]1C ZINC000179494251 432060368 /nfs/dbraw/zinc/06/03/68/432060368.db2.gz WKDWDGNNNDPVNN-BNEJOLLZSA-N 2 1 321.896 3.158 10 0 DGAEMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCN(C)[C@@H]2c2ccc(Cl)cc2)CC[N@H+]1C ZINC000179494251 432060369 /nfs/dbraw/zinc/06/03/69/432060369.db2.gz WKDWDGNNNDPVNN-BNEJOLLZSA-N 2 1 321.896 3.158 10 0 DGAEMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)[C@H]1CCCO1 ZINC000180107500 199117467 /nfs/dbraw/zinc/11/74/67/199117467.db2.gz RKGJOLJBQHOZHY-MNIJEXPFSA-N 2 1 314.473 3.339 10 0 DGAEMP COc1cc(C[NH2+]C2CC[NH+](CC3CCCC3)CC2)ccc1O ZINC000180171303 432079915 /nfs/dbraw/zinc/07/99/15/432079915.db2.gz MYJRAOQBORKJTE-UHFFFAOYSA-N 2 1 318.461 3.145 10 0 DGAEMP c1ccc(OCCCC[N@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)cc1 ZINC000415039654 237026648 /nfs/dbraw/zinc/02/66/48/237026648.db2.gz JJVPGESMQNLCNU-IEBWSBKVSA-N 2 1 302.462 3.310 10 0 DGAEMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)CCCCc2ccccc2)CC1 ZINC000186975110 200042049 /nfs/dbraw/zinc/04/20/49/200042049.db2.gz CHEZKRSTNKOBHC-GOSISDBHSA-N 2 1 318.505 3.034 10 0 DGAEMP COc1ccccc1/C=C/C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000246093599 432095219 /nfs/dbraw/zinc/09/52/19/432095219.db2.gz IUSSPDMAYWFDIA-IGCXZHCHSA-N 2 1 300.446 3.125 10 0 DGAEMP COc1ccccc1/C=C/C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000246093599 432095223 /nfs/dbraw/zinc/09/52/23/432095223.db2.gz IUSSPDMAYWFDIA-IGCXZHCHSA-N 2 1 300.446 3.125 10 0 DGAEMP COc1ccccc1/C=C/C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000246093599 432095225 /nfs/dbraw/zinc/09/52/25/432095225.db2.gz IUSSPDMAYWFDIA-IGCXZHCHSA-N 2 1 300.446 3.125 10 0 DGAEMP COc1ccccc1/C=C/C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000246093599 432095229 /nfs/dbraw/zinc/09/52/29/432095229.db2.gz IUSSPDMAYWFDIA-IGCXZHCHSA-N 2 1 300.446 3.125 10 0 DGAEMP Cc1cc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)ccc1Br ZINC000091472028 193061797 /nfs/dbraw/zinc/06/17/97/193061797.db2.gz DLNVMKHEIVJZBG-YIONKMFJSA-N 2 1 323.278 3.472 10 0 DGAEMP C[C@@H]1C[C@H]([NH+](C)CCOc2ccc(F)cc2Cl)CC[N@@H+]1C ZINC000091675612 193089720 /nfs/dbraw/zinc/08/97/20/193089720.db2.gz LELPKPBEOFWSIA-TZMCWYRMSA-N 2 1 314.832 3.272 10 0 DGAEMP C[C@@H]1C[C@H]([NH+](C)CCOc2ccc(F)cc2Cl)CC[N@H+]1C ZINC000091675612 193089722 /nfs/dbraw/zinc/08/97/22/193089722.db2.gz LELPKPBEOFWSIA-TZMCWYRMSA-N 2 1 314.832 3.272 10 0 DGAEMP C[C@@H]1C[C@H]([N@H+](C)CCOc2ccc(F)cc2Cl)CC[NH+]1C ZINC000091675612 193089723 /nfs/dbraw/zinc/08/97/23/193089723.db2.gz LELPKPBEOFWSIA-TZMCWYRMSA-N 2 1 314.832 3.272 10 0 DGAEMP C[C@@H]1C[C@H]([N@@H+](C)CCOc2ccc(F)cc2Cl)CC[NH+]1C ZINC000091675612 193089725 /nfs/dbraw/zinc/08/97/25/193089725.db2.gz LELPKPBEOFWSIA-TZMCWYRMSA-N 2 1 314.832 3.272 10 0 DGAEMP C[C@H]1C[C@@H]([NH+](C)Cc2ccc(OCC(F)F)cc2)CC[N@@H+]1C ZINC000093643968 193280443 /nfs/dbraw/zinc/28/04/43/193280443.db2.gz KGKCIACNKZLUGA-ZFWWWQNUSA-N 2 1 312.404 3.245 10 0 DGAEMP C[C@H]1C[C@@H]([NH+](C)Cc2ccc(OCC(F)F)cc2)CC[N@H+]1C ZINC000093643968 193280444 /nfs/dbraw/zinc/28/04/44/193280444.db2.gz KGKCIACNKZLUGA-ZFWWWQNUSA-N 2 1 312.404 3.245 10 0 DGAEMP C[C@H]1C[C@@H]([N@H+](C)Cc2ccc(OCC(F)F)cc2)CC[NH+]1C ZINC000093643968 193280445 /nfs/dbraw/zinc/28/04/45/193280445.db2.gz KGKCIACNKZLUGA-ZFWWWQNUSA-N 2 1 312.404 3.245 10 0 DGAEMP C[C@H]1C[C@@H]([N@@H+](C)Cc2ccc(OCC(F)F)cc2)CC[NH+]1C ZINC000093643968 193280446 /nfs/dbraw/zinc/28/04/46/193280446.db2.gz KGKCIACNKZLUGA-ZFWWWQNUSA-N 2 1 312.404 3.245 10 0 DGAEMP COCCCOc1cccc(C[N@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)c1 ZINC000093645072 193280782 /nfs/dbraw/zinc/28/07/82/193280782.db2.gz SBYXPBFAMKTUII-FUHWJXTLSA-N 2 1 320.477 3.016 10 0 DGAEMP COCCCOc1cccc(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)c1 ZINC000093645072 193280784 /nfs/dbraw/zinc/28/07/84/193280784.db2.gz SBYXPBFAMKTUII-FUHWJXTLSA-N 2 1 320.477 3.016 10 0 DGAEMP COCCCOc1cccc(C[NH+](C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000093645072 193280785 /nfs/dbraw/zinc/28/07/85/193280785.db2.gz SBYXPBFAMKTUII-FUHWJXTLSA-N 2 1 320.477 3.016 10 0 DGAEMP COCCCOc1cccc(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000093645072 193280788 /nfs/dbraw/zinc/28/07/88/193280788.db2.gz SBYXPBFAMKTUII-FUHWJXTLSA-N 2 1 320.477 3.016 10 0 DGAEMP C[C@@H]1C[C@H]([NH+](C)Cc2ccc(OCC(F)F)cc2)CC[N@@H+]1C ZINC000093643965 193282668 /nfs/dbraw/zinc/28/26/68/193282668.db2.gz KGKCIACNKZLUGA-UKRRQHHQSA-N 2 1 312.404 3.245 10 0 DGAEMP C[C@@H]1C[C@H]([NH+](C)Cc2ccc(OCC(F)F)cc2)CC[N@H+]1C ZINC000093643965 193282670 /nfs/dbraw/zinc/28/26/70/193282670.db2.gz KGKCIACNKZLUGA-UKRRQHHQSA-N 2 1 312.404 3.245 10 0 DGAEMP C[C@@H]1C[C@H]([N@H+](C)Cc2ccc(OCC(F)F)cc2)CC[NH+]1C ZINC000093643965 193282672 /nfs/dbraw/zinc/28/26/72/193282672.db2.gz KGKCIACNKZLUGA-UKRRQHHQSA-N 2 1 312.404 3.245 10 0 DGAEMP C[C@@H]1C[C@H]([N@@H+](C)Cc2ccc(OCC(F)F)cc2)CC[NH+]1C ZINC000093643965 193282674 /nfs/dbraw/zinc/28/26/74/193282674.db2.gz KGKCIACNKZLUGA-UKRRQHHQSA-N 2 1 312.404 3.245 10 0 DGAEMP COC[C@H](C)C[N@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000124332437 284257172 /nfs/dbraw/zinc/25/71/72/284257172.db2.gz BBYRNGKQBJJVRY-LMMKCTJWSA-N 2 1 304.478 3.254 10 0 DGAEMP COC[C@H](C)C[N@@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000124332437 284257174 /nfs/dbraw/zinc/25/71/74/284257174.db2.gz BBYRNGKQBJJVRY-LMMKCTJWSA-N 2 1 304.478 3.254 10 0 DGAEMP COC[C@H](C)C[NH+](C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000124332437 284257178 /nfs/dbraw/zinc/25/71/78/284257178.db2.gz BBYRNGKQBJJVRY-LMMKCTJWSA-N 2 1 304.478 3.254 10 0 DGAEMP COC[C@H](C)C[NH+](C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000124332437 284257182 /nfs/dbraw/zinc/25/71/82/284257182.db2.gz BBYRNGKQBJJVRY-LMMKCTJWSA-N 2 1 304.478 3.254 10 0 DGAEMP CC(C)(C)OC(=O)CCCC[NH+]1CCC([NH+]2CCCC2)CC1 ZINC000181558952 432136370 /nfs/dbraw/zinc/13/63/70/432136370.db2.gz AJBUBKBDZXOATE-UHFFFAOYSA-N 2 1 310.482 3.059 10 0 DGAEMP CCc1[nH+]ccn1[C@H](c1ccc(Br)cc1)[C@H](C)[NH3+] ZINC000042956212 183322623 /nfs/dbraw/zinc/32/26/23/183322623.db2.gz LMZQHLLSCMGHFI-HZMBPMFUSA-N 2 1 308.223 3.145 10 0 DGAEMP CC(C)c1[nH+]ccn1[C@@H](C[NH3+])c1cccc(Br)c1 ZINC000043022131 183329393 /nfs/dbraw/zinc/32/93/93/183329393.db2.gz BIXHXYQBSILLDL-ZDUSSCGKSA-N 2 1 308.223 3.317 10 0 DGAEMP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H](CNc4cc[nH+]cc4)[C@@H]3C2)nc1 ZINC000248117217 257107848 /nfs/dbraw/zinc/10/78/48/257107848.db2.gz SZJGANUOXDUVMU-UWVAXJGDSA-N 2 1 322.456 3.437 10 0 DGAEMP Cc1cccc(C[N@H+]2C[C@@H]3CCC[C@H](C[NH+]4CCCC4)[C@@H]3C2)n1 ZINC000247874891 257115243 /nfs/dbraw/zinc/11/52/43/257115243.db2.gz NMFDWICBLHTRDN-HBFSDRIKSA-N 2 1 313.489 3.334 10 0 DGAEMP Cc1cc(C[NH+]2CCC(Cc3[nH+]ccn3C)CC2)ccc1F ZINC000121777005 195346059 /nfs/dbraw/zinc/34/60/59/195346059.db2.gz JFXOVGYXIZAGIG-UHFFFAOYSA-N 2 1 301.409 3.322 10 0 DGAEMP C[C@@H]([NH2+][C@H]1C[C@@H](C)O[C@@H]1C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000295615537 533548935 /nfs/dbraw/zinc/54/89/35/533548935.db2.gz DOCKJICIEHVXDA-RFLLJTPXSA-N 2 1 302.462 3.053 10 0 DGAEMP C[C@@]1(C[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CCCS1 ZINC000392896284 400279059 /nfs/dbraw/zinc/27/90/59/400279059.db2.gz LTCIIULRKOHCCO-MSOLQXFVSA-N 2 1 304.503 3.384 10 0 DGAEMP Cc1cc(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)ccn1 ZINC000631194440 401422811 /nfs/dbraw/zinc/42/28/11/401422811.db2.gz LAMDUNWEKMEKQS-UZLBHIALSA-N 2 1 309.457 3.248 10 0 DGAEMP c1ccc(Oc2cccnc2)c(C[N@@H+]2CCC[C@H]3C[NH2+]CC[C@H]32)c1 ZINC000631888922 401564833 /nfs/dbraw/zinc/56/48/33/401564833.db2.gz DFTWHZQBWNCQPW-QFBILLFUSA-N 2 1 323.440 3.448 10 0 DGAEMP c1ccc(Oc2cccnc2)c(C[N@H+]2CCC[C@H]3C[NH2+]CC[C@H]32)c1 ZINC000631888922 401564835 /nfs/dbraw/zinc/56/48/35/401564835.db2.gz DFTWHZQBWNCQPW-QFBILLFUSA-N 2 1 323.440 3.448 10 0 DGAEMP CC[N@H+]1CC[C@@H](C[NH2+][C@H](c2ccc3[nH]c(=O)oc3c2)C(C)C)C1 ZINC000359284087 286275428 /nfs/dbraw/zinc/27/54/28/286275428.db2.gz YWTDOGVECTZGHF-GUYCJALGSA-N 2 1 317.433 3.162 10 0 DGAEMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCOC1CCCC1 ZINC000364459002 287029488 /nfs/dbraw/zinc/02/94/88/287029488.db2.gz PEAXHQYIIVLNIE-YLJYHZDGSA-N 2 1 316.489 3.446 10 0 DGAEMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCOC1CCCC1 ZINC000364459002 287029491 /nfs/dbraw/zinc/02/94/91/287029491.db2.gz PEAXHQYIIVLNIE-YLJYHZDGSA-N 2 1 316.489 3.446 10 0 DGAEMP CCc1nccn1[C@H]1CCC[N@@H+](C[C@H](O)C2CCCCC2)C1 ZINC000191342509 165244720 /nfs/dbraw/zinc/24/47/20/165244720.db2.gz MEGMJUCBCOBXBB-IRXDYDNUSA-N 2 1 305.466 3.024 10 0 DGAEMP Cc1cc(-n2ccnc2)ccc1C[NH+]1CCC([NH+]2CCCC2)CC1 ZINC000191946115 165276362 /nfs/dbraw/zinc/27/63/62/165276362.db2.gz KAFBEHJYRHRVBB-UHFFFAOYSA-N 2 1 324.472 3.241 10 0 DGAEMP C[C@@H]1CC[C@@H](C)[NH+](CC2(C[N@H+]3C[C@H](C)CC[C@@H]3C)COC2)C1 ZINC000182205057 432166819 /nfs/dbraw/zinc/16/68/19/432166819.db2.gz MBJOXRCLNJZDCV-TVFCKZIOSA-N 2 1 308.510 3.244 10 0 DGAEMP C[C@@H]1CC[C@H](C)[NH+](CC2(C[N@@H+]3C[C@H](C)CC[C@H]3C)COC2)C1 ZINC000182205057 432166821 /nfs/dbraw/zinc/16/68/21/432166821.db2.gz MBJOXRCLNJZDCV-TVFCKZIOSA-N 2 1 308.510 3.244 10 0 DGAEMP C[C@@H]1CC[C@H](C)[NH+](CC2(C[N@H+]3C[C@H](C)CC[C@H]3C)COC2)C1 ZINC000182205057 432166827 /nfs/dbraw/zinc/16/68/27/432166827.db2.gz MBJOXRCLNJZDCV-TVFCKZIOSA-N 2 1 308.510 3.244 10 0 DGAEMP CC[C@@H]([NH2+]Cc1ccc(C[NH+]2CCCC2)cc1)c1nccn1C ZINC000182238950 432170440 /nfs/dbraw/zinc/17/04/40/432170440.db2.gz TZDUQRFSMXLEPU-GOSISDBHSA-N 2 1 312.461 3.257 10 0 DGAEMP C[C@@H]1C[C@H](N(C)Cc2ccccc2OC(F)(F)F)CC[N@H+]1C ZINC000130667516 196099950 /nfs/dbraw/zinc/09/99/50/196099950.db2.gz LJZPONNXMLYYDY-TZMCWYRMSA-N 2 1 316.367 3.500 10 0 DGAEMP C[C@@H]1C[C@H]([N@H+](C)Cc2ccccc2OC(F)(F)F)CCN1C ZINC000130667516 196099952 /nfs/dbraw/zinc/09/99/52/196099952.db2.gz LJZPONNXMLYYDY-TZMCWYRMSA-N 2 1 316.367 3.500 10 0 DGAEMP C[C@@H]1C[C@H]([N@@H+](C)Cc2ccccc2OC(F)(F)F)CCN1C ZINC000130667516 196099953 /nfs/dbraw/zinc/09/99/53/196099953.db2.gz LJZPONNXMLYYDY-TZMCWYRMSA-N 2 1 316.367 3.500 10 0 DGAEMP COc1cccc(CCC[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)c1 ZINC000247116485 432203892 /nfs/dbraw/zinc/20/38/92/432203892.db2.gz AHNJBQMXZAOIIB-IEBWSBKVSA-N 2 1 302.462 3.044 10 0 DGAEMP COc1cccc(CCC[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c1 ZINC000247116485 432203895 /nfs/dbraw/zinc/20/38/95/432203895.db2.gz AHNJBQMXZAOIIB-IEBWSBKVSA-N 2 1 302.462 3.044 10 0 DGAEMP COc1cccc(CCC[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)c1 ZINC000247116485 432203897 /nfs/dbraw/zinc/20/38/97/432203897.db2.gz AHNJBQMXZAOIIB-IEBWSBKVSA-N 2 1 302.462 3.044 10 0 DGAEMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@H]2CCCC[C@H]2O)cc1 ZINC000247972794 432256953 /nfs/dbraw/zinc/25/69/53/432256953.db2.gz HNBPBKDPFTWHPS-POZUXBRTSA-N 2 1 313.445 3.382 10 0 DGAEMP CC[N@@H+](CC1CC[NH2+]CC1)[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000262287656 279171813 /nfs/dbraw/zinc/17/18/13/279171813.db2.gz VQKUGTFEUFXITO-FXAWDEMLSA-N 2 1 315.505 3.143 10 0 DGAEMP CC[N@H+]1CC[C@@H](N(C)Cc2nc(C)c3ccccc3n2)[C@H](C)C1 ZINC000081095542 431782970 /nfs/dbraw/zinc/78/29/70/431782970.db2.gz MXLVIVNATDGOCG-RDTXWAMCSA-N 2 1 312.461 3.100 10 0 DGAEMP C[NH+]1CCN([C@@H]2CCCC[N@H+](CCCC3CCCC3)C2)CC1 ZINC000122813579 431845326 /nfs/dbraw/zinc/84/53/26/431845326.db2.gz DARACZCYAXRXOG-LJQANCHMSA-N 2 1 307.526 3.059 10 0 DGAEMP C[NH+]1CCN([C@@H]2CCCC[N@@H+](CCCC3CCCC3)C2)CC1 ZINC000122813579 431845329 /nfs/dbraw/zinc/84/53/29/431845329.db2.gz DARACZCYAXRXOG-LJQANCHMSA-N 2 1 307.526 3.059 10 0 DGAEMP C[C@@H]1C[C@@H]([NH+](C)CCC(=O)Nc2cccc(Cl)c2)CC[N@@H+]1C ZINC000123734810 431873379 /nfs/dbraw/zinc/87/33/79/431873379.db2.gz OPKGISLLWUMYEM-CJNGLKHVSA-N 2 1 323.868 3.083 10 0 DGAEMP C[C@@H]1C[C@@H]([NH+](C)CCC(=O)Nc2cccc(Cl)c2)CC[N@H+]1C ZINC000123734810 431873381 /nfs/dbraw/zinc/87/33/81/431873381.db2.gz OPKGISLLWUMYEM-CJNGLKHVSA-N 2 1 323.868 3.083 10 0 DGAEMP C[C@@H]1C[C@@H]([N@H+](C)CCC(=O)Nc2cccc(Cl)c2)CC[NH+]1C ZINC000123734810 431873382 /nfs/dbraw/zinc/87/33/82/431873382.db2.gz OPKGISLLWUMYEM-CJNGLKHVSA-N 2 1 323.868 3.083 10 0 DGAEMP C[C@@H]1C[C@@H]([N@@H+](C)CCC(=O)Nc2cccc(Cl)c2)CC[NH+]1C ZINC000123734810 431873383 /nfs/dbraw/zinc/87/33/83/431873383.db2.gz OPKGISLLWUMYEM-CJNGLKHVSA-N 2 1 323.868 3.083 10 0 DGAEMP C[N@H+](Cc1ccccc1)CC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000089361408 431864305 /nfs/dbraw/zinc/86/43/05/431864305.db2.gz JMPMXBCQLGXBPE-UXHICEINSA-N 2 1 316.489 3.134 10 0 DGAEMP CCc1[nH]c(CN(CC[NH+](C)C)Cc2ccccc2C)c(C)[nH+]1 ZINC000055153386 431976960 /nfs/dbraw/zinc/97/69/60/431976960.db2.gz RKXQGAVNLQTXLQ-UHFFFAOYSA-N 2 1 314.477 3.153 10 0 DGAEMP Cc1cccc(NC[C@H]2CC[N@H+](C[C@@H]3CCC(C)(C)O3)C2)[nH+]1 ZINC000187066168 281246784 /nfs/dbraw/zinc/24/67/84/281246784.db2.gz IWUPKXPVKOKLIF-CVEARBPZSA-N 2 1 303.450 3.081 10 0 DGAEMP Cc1cccc(NC[C@H]2CC[N@@H+](C[C@@H]3CCC(C)(C)O3)C2)[nH+]1 ZINC000187066168 281246786 /nfs/dbraw/zinc/24/67/86/281246786.db2.gz IWUPKXPVKOKLIF-CVEARBPZSA-N 2 1 303.450 3.081 10 0 DGAEMP Cc1ccccc1[C@@H](C)[N@@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000182909537 281354728 /nfs/dbraw/zinc/35/47/28/281354728.db2.gz YZQJHUJZPTTZCU-MOPGFXCFSA-N 2 1 315.505 3.158 10 0 DGAEMP Cc1ccccc1[C@@H](C)[N@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000182909537 281354729 /nfs/dbraw/zinc/35/47/29/281354729.db2.gz YZQJHUJZPTTZCU-MOPGFXCFSA-N 2 1 315.505 3.158 10 0 DGAEMP Clc1cnccc1C[N@H+]1CC[C@H](CNc2ccccn2)C1 ZINC000173779407 432299049 /nfs/dbraw/zinc/29/90/49/432299049.db2.gz DJQTXOKBBUYKRI-CYBMUJFWSA-N 2 1 302.809 3.064 10 0 DGAEMP Clc1cnccc1CN1CC[C@H](CNc2ccccn2)C1 ZINC000173779407 432299054 /nfs/dbraw/zinc/29/90/54/432299054.db2.gz DJQTXOKBBUYKRI-CYBMUJFWSA-N 2 1 302.809 3.064 10 0 DGAEMP CC(C)[NH+]1CCN(CCC[N@H+]2C[C@H](C)[C@@H]2c2ccccc2)CC1 ZINC000249062172 432335832 /nfs/dbraw/zinc/33/58/32/432335832.db2.gz PVWAQNKLQVPIDH-AZUAARDMSA-N 2 1 315.505 3.096 10 0 DGAEMP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3coc(-c4ccc(F)cc4)n3)C[C@H]21 ZINC000261626163 432434258 /nfs/dbraw/zinc/43/42/58/432434258.db2.gz COWWCXQASFLYRT-IAOVAPTHSA-N 2 1 315.392 3.040 10 0 DGAEMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3coc(-c4ccc(F)cc4)n3)C[C@H]21 ZINC000261626163 432434262 /nfs/dbraw/zinc/43/42/62/432434262.db2.gz COWWCXQASFLYRT-IAOVAPTHSA-N 2 1 315.392 3.040 10 0 DGAEMP COc1ccc(C[N@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)cc1C ZINC000261730818 432444640 /nfs/dbraw/zinc/44/46/40/432444640.db2.gz OJHNVJSSYDUCDJ-MOPGFXCFSA-N 2 1 310.441 3.178 10 0 DGAEMP C[N@@H+](Cc1ccc(OCC2CC2)cc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000261799739 432451426 /nfs/dbraw/zinc/45/14/26/432451426.db2.gz GUUXEVCLDZVZQG-JWTNVVGKSA-N 2 1 300.446 3.190 10 0 DGAEMP CC[N@H+](C)[C@H](c1nc(-c2ccc(C[NH3+])cc2)no1)c1ccccc1 ZINC000262125402 432474702 /nfs/dbraw/zinc/47/47/02/432474702.db2.gz XRNGPPOKBIAVQI-KRWDZBQOSA-N 2 1 322.412 3.236 10 0 DGAEMP CC[N@@H+](C)[C@H](c1nc(-c2ccc(C[NH3+])cc2)no1)c1ccccc1 ZINC000262125402 432474705 /nfs/dbraw/zinc/47/47/05/432474705.db2.gz XRNGPPOKBIAVQI-KRWDZBQOSA-N 2 1 322.412 3.236 10 0 DGAEMP c1ccc2cc(CC[NH2+][C@@H]3CCC[C@@H]3[C@H]3COCC[NH2+]3)ccc2c1 ZINC000261943265 432461666 /nfs/dbraw/zinc/46/16/66/432461666.db2.gz NEHXZWXMYYDMSQ-PWRODBHTSA-N 2 1 324.468 3.129 10 0 DGAEMP Cc1ccc(C(C)(C)C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)cc1 ZINC000262013202 432468549 /nfs/dbraw/zinc/46/85/49/432468549.db2.gz VTBDDYUVWYEMDA-OTWHNJEPSA-N 2 1 316.489 3.019 10 0 DGAEMP CCc1cccc(OCC[N@H+]2CCC[C@@H]2Cn2ccnc2C)c1 ZINC000178301667 432716235 /nfs/dbraw/zinc/71/62/35/432716235.db2.gz HJOOXGDXDNUMKP-GOSISDBHSA-N 2 1 313.445 3.297 10 0 DGAEMP CCc1cccc(OCC[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)c1 ZINC000178301667 432716240 /nfs/dbraw/zinc/71/62/40/432716240.db2.gz HJOOXGDXDNUMKP-GOSISDBHSA-N 2 1 313.445 3.297 10 0 DGAEMP CCc1cccc(OCC[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)c1 ZINC000178301667 432716243 /nfs/dbraw/zinc/71/62/43/432716243.db2.gz HJOOXGDXDNUMKP-GOSISDBHSA-N 2 1 313.445 3.297 10 0 DGAEMP CC1(C)CC[C@@H](C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)O1 ZINC000187843014 432687989 /nfs/dbraw/zinc/68/79/89/432687989.db2.gz LBJNRUDQWHAYBJ-IBGZPJMESA-N 2 1 316.489 3.241 10 0 DGAEMP CC1(C)CC[C@H](C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)O1 ZINC000187842985 432689038 /nfs/dbraw/zinc/68/90/38/432689038.db2.gz LBJNRUDQWHAYBJ-LJQANCHMSA-N 2 1 316.489 3.241 10 0 DGAEMP CC[N@H+]1CC[C@H]([NH+](C)CCCOc2ccc(OC)cc2)[C@@H](C)C1 ZINC000245443803 432832469 /nfs/dbraw/zinc/83/24/69/432832469.db2.gz XKPUABJVBTZTLF-LPHOPBHVSA-N 2 1 320.477 3.126 10 0 DGAEMP CC[NH+]1CC[C@H]([N@H+](C)CCCOc2ccc(OC)cc2)[C@@H](C)C1 ZINC000245443803 432832473 /nfs/dbraw/zinc/83/24/73/432832473.db2.gz XKPUABJVBTZTLF-LPHOPBHVSA-N 2 1 320.477 3.126 10 0 DGAEMP CC[NH+]1CC[C@H]([N@@H+](C)CCCOc2ccc(OC)cc2)[C@@H](C)C1 ZINC000245443803 432832475 /nfs/dbraw/zinc/83/24/75/432832475.db2.gz XKPUABJVBTZTLF-LPHOPBHVSA-N 2 1 320.477 3.126 10 0 DGAEMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)[C@H](C)C1 ZINC000162910853 432837435 /nfs/dbraw/zinc/83/74/35/432837435.db2.gz VXCBJHZOAZQEIV-XLIONFOSSA-N 3 1 315.505 3.102 10 0 DGAEMP CC[N@@H+]1CC[C@H](NCc2ccc(C[NH+]3CCCC3)cc2)[C@H](C)C1 ZINC000162910853 432837439 /nfs/dbraw/zinc/83/74/39/432837439.db2.gz VXCBJHZOAZQEIV-XLIONFOSSA-N 2 1 315.505 3.102 10 0 DGAEMP CC[N@H+]1CC[C@H](NCc2ccc(C[NH+]3CCCC3)cc2)[C@H](C)C1 ZINC000162910853 432837441 /nfs/dbraw/zinc/83/74/41/432837441.db2.gz VXCBJHZOAZQEIV-XLIONFOSSA-N 2 1 315.505 3.102 10 0 DGAEMP CCN1CC[C@H]([NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)[C@H](C)C1 ZINC000162910853 432837443 /nfs/dbraw/zinc/83/74/43/432837443.db2.gz VXCBJHZOAZQEIV-XLIONFOSSA-N 2 1 315.505 3.102 10 0 DGAEMP COc1ccccc1CC[N@H+](C)CCCCn1cc[nH+]c1C ZINC000161656632 432791644 /nfs/dbraw/zinc/79/16/44/432791644.db2.gz AAHMAZQTQZEFTI-UHFFFAOYSA-N 2 1 301.434 3.155 10 0 DGAEMP COc1ccccc1CC[N@@H+](C)CCCCn1cc[nH+]c1C ZINC000161656632 432791648 /nfs/dbraw/zinc/79/16/48/432791648.db2.gz AAHMAZQTQZEFTI-UHFFFAOYSA-N 2 1 301.434 3.155 10 0 DGAEMP C[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)[C@H]1CCCO1 ZINC000245740005 432860231 /nfs/dbraw/zinc/86/02/31/432860231.db2.gz RKGJOLJBQHOZHY-AEEMCCEDSA-N 2 1 314.473 3.339 10 0 DGAEMP O[C@H](c1ccc(F)cc1)C1CC[NH+](CCC[NH+]2CCCC2)CC1 ZINC000163112508 432844160 /nfs/dbraw/zinc/84/41/60/432844160.db2.gz UEFCPNUICKLXLO-LJQANCHMSA-N 2 1 320.452 3.057 10 0 DGAEMP O[C@H](C[C@H]1CCC[N@H+]1CCC[NH+]1CCCC1)c1cccs1 ZINC000163230700 432846510 /nfs/dbraw/zinc/84/65/10/432846510.db2.gz PRDWFIOOGYPJRX-HZPDHXFCSA-N 2 1 308.491 3.122 10 0 DGAEMP CC[N@H+]1CC[C@H]([NH2+][C@H]2CCCN(c3ccccc3F)C2)[C@@H](C)C1 ZINC000245627440 432852144 /nfs/dbraw/zinc/85/21/44/432852144.db2.gz YXJNONUFOFXKHA-BQFCYCMXSA-N 2 1 319.468 3.114 10 0 DGAEMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2c[nH]nc2-c2ccccc2)[C@@H](C)C1 ZINC000245717433 432858071 /nfs/dbraw/zinc/85/80/71/432858071.db2.gz HGGFSEVUQHBQMP-MAUKXSAKSA-N 2 1 312.461 3.239 10 0 DGAEMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2c[nH]nc2-c2ccccc2)[C@@H](C)C1 ZINC000245717433 432858073 /nfs/dbraw/zinc/85/80/73/432858073.db2.gz HGGFSEVUQHBQMP-MAUKXSAKSA-N 2 1 312.461 3.239 10 0 DGAEMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2c[nH]nc2-c2ccccc2)[C@@H](C)C1 ZINC000245717433 432858075 /nfs/dbraw/zinc/85/80/75/432858075.db2.gz HGGFSEVUQHBQMP-MAUKXSAKSA-N 2 1 312.461 3.239 10 0 DGAEMP C[N@@H+]1CCC[C@H](C[NH2+]C[C@@H]2CCSC2)[C@H]1c1cccs1 ZINC000373301652 433145762 /nfs/dbraw/zinc/14/57/62/433145762.db2.gz UYCBYXAKRNDBRR-LZWOXQAQSA-N 2 1 310.532 3.474 10 0 DGAEMP C[N@H+]1CCC[C@H](C[NH2+]C[C@@H]2CCSC2)[C@H]1c1cccs1 ZINC000373301652 433145774 /nfs/dbraw/zinc/14/57/74/433145774.db2.gz UYCBYXAKRNDBRR-LZWOXQAQSA-N 2 1 310.532 3.474 10 0 DGAEMP c1cc(C[NH+]2CCOCC2)ccc1C[NH2+][C@H]1CC[C@@H]1C1CCC1 ZINC000337993537 433271814 /nfs/dbraw/zinc/27/18/14/433271814.db2.gz JHROZSTXAHXZIA-UXHICEINSA-N 2 1 314.473 3.187 10 0 DGAEMP Cc1cc(NC[C@@H](C)[N@H+]2CCOC[C@H]2C)c2cc(F)ccc2[nH+]1 ZINC000301687064 433678139 /nfs/dbraw/zinc/67/81/39/433678139.db2.gz VAZOCXXOENADLS-ZIAGYGMSSA-N 2 1 317.408 3.203 10 0 DGAEMP C[C@@H]1CC([NH2+]C[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)C[C@@H](C)O1 ZINC000374279568 293376967 /nfs/dbraw/zinc/37/69/67/293376967.db2.gz KWQPJEXYFLKWDL-HLIPFELVSA-N 2 1 316.489 3.444 10 0 DGAEMP CC[NH+](CC)CC1CCN(CC[N@H+](C)Cc2ccccc2)CC1 ZINC000450262363 434062005 /nfs/dbraw/zinc/06/20/05/434062005.db2.gz MSXGGXKJDKZQFY-UHFFFAOYSA-N 2 1 317.521 3.172 10 0 DGAEMP CC[NH+](CC)CC1CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC000450262363 434062016 /nfs/dbraw/zinc/06/20/16/434062016.db2.gz MSXGGXKJDKZQFY-UHFFFAOYSA-N 2 1 317.521 3.172 10 0 DGAEMP O[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000378955777 434252802 /nfs/dbraw/zinc/25/28/02/434252802.db2.gz LUSQIHNHCNTKEI-VAMGGRTRSA-N 2 1 316.489 3.182 10 0 DGAEMP C[C@H]1C[C@H]([NH2+]CCOC(C)(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000379650406 434260249 /nfs/dbraw/zinc/26/02/49/434260249.db2.gz RRGYABXBJLXTDW-FUHWJXTLSA-N 2 1 304.478 3.444 10 0 DGAEMP C[C@H]1C[C@H]([NH2+]CCOC(C)(C)C)CC[N@H+]1Cc1ccccc1 ZINC000379650406 434260260 /nfs/dbraw/zinc/26/02/60/434260260.db2.gz RRGYABXBJLXTDW-FUHWJXTLSA-N 2 1 304.478 3.444 10 0 DGAEMP c1cncc(C[NH2+]CCC[NH2+][C@H](c2cccnc2)C2CCC2)c1 ZINC000423187142 434269666 /nfs/dbraw/zinc/26/96/66/434269666.db2.gz LYCNGBFMTYXFOR-IBGZPJMESA-N 2 1 310.445 3.087 10 0 DGAEMP C[C@@H]1C[N@@H+]([C@H]2CCc3c2cccc3Br)C[C@@]1(C)C[NH3+] ZINC000388297447 434329866 /nfs/dbraw/zinc/32/98/66/434329866.db2.gz ZHPAXPYRQBHXIU-XFBWCDHKSA-N 2 1 323.278 3.353 10 0 DGAEMP C[C@@H]1C[N@H+]([C@H]2CCc3c2cccc3Br)C[C@@]1(C)C[NH3+] ZINC000388297447 434329874 /nfs/dbraw/zinc/32/98/74/434329874.db2.gz ZHPAXPYRQBHXIU-XFBWCDHKSA-N 2 1 323.278 3.353 10 0 DGAEMP COC[C@H](N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C)c1ccccc1 ZINC000389868532 434354259 /nfs/dbraw/zinc/35/42/59/434354259.db2.gz NKWJXMDXFGGNRA-UIFIKXQLSA-N 2 1 324.468 3.484 10 0 DGAEMP COC[C@H](N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C)c1ccccc1 ZINC000389868532 434354272 /nfs/dbraw/zinc/35/42/72/434354272.db2.gz NKWJXMDXFGGNRA-UIFIKXQLSA-N 2 1 324.468 3.484 10 0 DGAEMP CC[C@](C)(O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000453104566 434803610 /nfs/dbraw/zinc/80/36/10/434803610.db2.gz UYENGPGARKSVNI-WTGUMLROSA-N 2 1 316.489 3.180 10 0 DGAEMP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)N[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000580062426 435201643 /nfs/dbraw/zinc/20/16/43/435201643.db2.gz ZDJUOAANZAYAEV-RLLQIKCJSA-N 2 1 317.521 3.121 10 0 DGAEMP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)N[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000580062426 435201646 /nfs/dbraw/zinc/20/16/46/435201646.db2.gz ZDJUOAANZAYAEV-RLLQIKCJSA-N 2 1 317.521 3.121 10 0 DGAEMP c1ccc(OCCCCC[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)cc1 ZINC000579711720 435177374 /nfs/dbraw/zinc/17/73/74/435177374.db2.gz GGTVZRWXYDTOHV-LJQANCHMSA-N 2 1 302.462 3.311 10 0 DGAEMP C[C@H]([NH2+]Cc1cc(Cl)ccc1Br)[C@H]1CC[NH2+]C1 ZINC000569223333 435513194 /nfs/dbraw/zinc/51/31/94/435513194.db2.gz WABOBOBIQYSDPP-UWVGGRQHSA-N 2 1 317.658 3.190 10 0 DGAEMP CO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)C1(C)C ZINC000484287613 435542328 /nfs/dbraw/zinc/54/23/28/435542328.db2.gz GUGGBYAXDINZOV-WZGPROSRSA-N 2 1 316.489 3.300 10 0 DGAEMP CO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)C1(C)C ZINC000484287613 435542333 /nfs/dbraw/zinc/54/23/33/435542333.db2.gz GUGGBYAXDINZOV-WZGPROSRSA-N 2 1 316.489 3.300 10 0 DGAEMP CC[NH+](CC)CCC[N@@H+]1CCC[C@@H](CC(=O)OC(C)(C)C)C1 ZINC000549141434 435745395 /nfs/dbraw/zinc/74/53/95/435745395.db2.gz LQOMJTRVUAIXBM-INIZCTEOSA-N 2 1 312.498 3.162 10 0 DGAEMP CC[NH+](CC)CCC[N@H+]1CCC[C@@H](CC(=O)OC(C)(C)C)C1 ZINC000549141434 435745401 /nfs/dbraw/zinc/74/54/01/435745401.db2.gz LQOMJTRVUAIXBM-INIZCTEOSA-N 2 1 312.498 3.162 10 0 DGAEMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@@](C)(O)C(C)C)cc1 ZINC000178118291 312786415 /nfs/dbraw/zinc/78/64/15/312786415.db2.gz FWEZEUKOCKLTNJ-KBXCAEBGSA-N 2 1 301.434 3.238 10 0 DGAEMP CC1=CC[N@@H+](CCNC2CC[NH+]([C@H]3CCCC[C@H]3C)CC2)CC1 ZINC000545161007 314229132 /nfs/dbraw/zinc/22/91/32/314229132.db2.gz JRUVZNYXUMBLLG-QUCCMNQESA-N 2 1 319.537 3.271 10 0 DGAEMP CC1=CCN(CC[NH2+]C2CC[NH+]([C@H]3CCCC[C@H]3C)CC2)CC1 ZINC000545161007 314229135 /nfs/dbraw/zinc/22/91/35/314229135.db2.gz JRUVZNYXUMBLLG-QUCCMNQESA-N 2 1 319.537 3.271 10 0 DGAEMP Clc1ccc(C[NH2+]CCC[NH+]2CCC2)cc1Br ZINC000563417925 315113089 /nfs/dbraw/zinc/11/30/89/315113089.db2.gz SMGYNTZNJGTKQZ-UHFFFAOYSA-N 2 1 317.658 3.288 10 0 DGAEMP C[C@H](NC[C@]1(C)CCC[N@H+]1Cc1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC000566091143 315311929 /nfs/dbraw/zinc/31/19/29/315311929.db2.gz STPVNNRMTKKVRZ-SXLOBPIMSA-N 2 1 315.505 3.019 10 0 DGAEMP C[C@H]([NH2+]C[C@]1(C)CCCN1Cc1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC000566091143 315311930 /nfs/dbraw/zinc/31/19/30/315311930.db2.gz STPVNNRMTKKVRZ-SXLOBPIMSA-N 2 1 315.505 3.019 10 0 DGAEMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H](C)c2ccc(OC)cc2)[C@H](C)C1 ZINC000180415477 323228329 /nfs/dbraw/zinc/22/83/29/323228329.db2.gz SJXGESJNWMQGCI-MDZRGWNJSA-N 2 1 304.478 3.461 10 0 DGAEMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H](C)c2ccc(OC)cc2)[C@H](C)C1 ZINC000180415477 323228331 /nfs/dbraw/zinc/22/83/31/323228331.db2.gz SJXGESJNWMQGCI-MDZRGWNJSA-N 2 1 304.478 3.461 10 0 DGAEMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H](C)c2ccc(OC)cc2)[C@H](C)C1 ZINC000180415477 323228334 /nfs/dbraw/zinc/22/83/34/323228334.db2.gz SJXGESJNWMQGCI-MDZRGWNJSA-N 2 1 304.478 3.461 10 0 DGAEMP Clc1ccccc1OCC[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000252414097 546330861 /nfs/dbraw/zinc/33/08/61/546330861.db2.gz GSKSYABLVQQYGR-GDBMZVCRSA-N 2 1 308.853 3.183 10 0 DGAEMP Clc1ccccc1OCC[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000252414097 546330865 /nfs/dbraw/zinc/33/08/65/546330865.db2.gz GSKSYABLVQQYGR-GDBMZVCRSA-N 2 1 308.853 3.183 10 0 DGAEMP c1c(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)onc1-c1ccccc1 ZINC000321319947 546469873 /nfs/dbraw/zinc/46/98/73/546469873.db2.gz QONBIJVXWJHUGZ-SJLPKXTDSA-N 2 1 311.429 3.306 10 0 DGAEMP c1c(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)onc1-c1ccccc1 ZINC000321319947 546469877 /nfs/dbraw/zinc/46/98/77/546469877.db2.gz QONBIJVXWJHUGZ-SJLPKXTDSA-N 2 1 311.429 3.306 10 0 DGAEMP c1csc(C[N@H+]2CCC[C@H](C[NH2+][C@@H]3CCCSC3)C2)c1 ZINC000131314191 626623488 /nfs/dbraw/zinc/62/34/88/626623488.db2.gz AAEOGANRTFYMCE-HUUCEWRRSA-N 2 1 310.532 3.445 10 0 DGAEMP c1csc(C[N@@H+]2CCC[C@H](C[NH2+][C@@H]3CCCSC3)C2)c1 ZINC000131314191 626623489 /nfs/dbraw/zinc/62/34/89/626623489.db2.gz AAEOGANRTFYMCE-HUUCEWRRSA-N 2 1 310.532 3.445 10 0 DGAEMP C[N@H+](Cc1csc(Br)c1)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000085015329 660371181 /nfs/dbraw/zinc/37/11/81/660371181.db2.gz HYWJIOLNADUKPF-KOLCDFICSA-N 2 1 303.269 3.070 10 0 DGAEMP C[C@H]([NH2+]C[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCCCO1 ZINC000705995622 660841313 /nfs/dbraw/zinc/84/13/13/660841313.db2.gz UZNOKAWXGXPOKZ-YSIASYRMSA-N 2 1 316.489 3.446 10 0 DGAEMP C[C@H]([NH2+]C[C@@H]1CC(C)(C)CO1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000708407156 660920842 /nfs/dbraw/zinc/92/08/42/660920842.db2.gz XNXNPRIOZNNAJY-WDSOQIARSA-N 2 1 316.489 3.302 10 0 DGAEMP COc1ccc(/C=C\C[N@@H+]2CCC[C@]3(CC[NH+](C)C3)C2)cc1 ZINC000096856706 655700452 /nfs/dbraw/zinc/70/04/52/655700452.db2.gz DQUIASMJFKPDSY-SIEMBAAWSA-N 2 1 300.446 3.126 10 0 DGAEMP COc1ccc(/C=C\C[N@H+]2CCC[C@]3(CC[NH+](C)C3)C2)cc1 ZINC000096856706 655700454 /nfs/dbraw/zinc/70/04/54/655700454.db2.gz DQUIASMJFKPDSY-SIEMBAAWSA-N 2 1 300.446 3.126 10 0 DGAEMP COc1ccc(/C=C\C[NH+]2CCC[C@]3(CC[N@H+](C)C3)C2)cc1 ZINC000096856706 655700455 /nfs/dbraw/zinc/70/04/55/655700455.db2.gz DQUIASMJFKPDSY-SIEMBAAWSA-N 2 1 300.446 3.126 10 0 DGAEMP COc1ccc(/C=C\C[NH+]2CCC[C@]3(CC[N@@H+](C)C3)C2)cc1 ZINC000096856706 655700457 /nfs/dbraw/zinc/70/04/57/655700457.db2.gz DQUIASMJFKPDSY-SIEMBAAWSA-N 2 1 300.446 3.126 10 0 DGAEMP C[C@]1(C[NH2+][C@H]2CCCSC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000309709330 656043090 /nfs/dbraw/zinc/04/30/90/656043090.db2.gz IRXIJAFVCUTEAJ-ZWKOTPCHSA-N 2 1 304.503 3.384 10 0 DGAEMP CSC[C@H](C)[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716624078 661224928 /nfs/dbraw/zinc/22/49/28/661224928.db2.gz DBHCXYKVJLMBJT-OWLYRPNTSA-N 2 1 304.503 3.381 10 0 DGAEMP COCC(C)(C)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716620183 661224949 /nfs/dbraw/zinc/22/49/49/661224949.db2.gz LOHRISSLAYNKFG-OTWHNJEPSA-N 2 1 316.489 3.302 10 0 DGAEMP CC(C)C[C@@H](O)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716620026 661225174 /nfs/dbraw/zinc/22/51/74/661225174.db2.gz KHUXOTOWHXLXQM-LWYYNNOASA-N 2 1 316.489 3.036 10 0 DGAEMP CCC[C@@H](CCO)[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716619109 661225212 /nfs/dbraw/zinc/22/52/12/661225212.db2.gz BLCUQUJOKAMRNE-MUGJNUQGSA-N 2 1 316.489 3.180 10 0 DGAEMP CO[C@H]1C[C@@H](C[NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)C1 ZINC000716623645 661225223 /nfs/dbraw/zinc/22/52/23/661225223.db2.gz BWJXZJNBEYEDSF-UHZRXMQZSA-N 2 1 314.473 3.054 10 0 DGAEMP C[C@@H]1CSC[C@@H]1[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716671655 661226219 /nfs/dbraw/zinc/22/62/19/661226219.db2.gz HKWINKYCTZXHBE-RFZNHBKKSA-N 2 1 316.514 3.381 10 0 DGAEMP C[C@@H]1COCC[C@@H]1[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716660626 661226237 /nfs/dbraw/zinc/22/62/37/661226237.db2.gz HHRKRZCZZMMXCB-HTDHLNIYSA-N 2 1 314.473 3.054 10 0 DGAEMP CCC[C@H](C[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2)OC ZINC000716695827 661227537 /nfs/dbraw/zinc/22/75/37/661227537.db2.gz YJRJNFMORYOOSY-LWYYNNOASA-N 2 1 316.489 3.444 10 0 DGAEMP C[C@@H]1C[N@@H+](Cc2cc(F)cc(Br)c2)C[C@H]1CC[NH3+] ZINC000723890133 656503800 /nfs/dbraw/zinc/50/38/00/656503800.db2.gz CABBQJGCGVWVIT-ZYHUDNBSSA-N 2 1 315.230 3.005 10 0 DGAEMP OCC[C@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)C1CCCC1 ZINC000725116702 656531386 /nfs/dbraw/zinc/53/13/86/656531386.db2.gz XBZUEQXWTFCOOP-FQEVSTJZSA-N 2 1 316.489 3.182 10 0 DGAEMP CO[C@@H]1CCC[C@@H]([NH2+]CCC[N@@H+](C)Cc2ccccc2)CC1 ZINC000718838581 662262497 /nfs/dbraw/zinc/26/24/97/662262497.db2.gz BHVPMFKWZXUKEQ-RTBURBONSA-N 2 1 304.478 3.446 10 0 DGAEMP C[NH+](C)Cc1ccc([C@H]2CCC[N@H+]2C[C@H]2CC[C@@H]([NH3+])CC2)cc1 ZINC000248100840 662333343 /nfs/dbraw/zinc/33/33/43/662333343.db2.gz HMHFUJQLOWBUMZ-YZGWKJHDSA-N 3 1 315.505 3.403 10 0 DGAEMP CC[NH+](CC)CCC[N@H+]1CCC[C@H]1C[C@@H](O)c1ccccc1 ZINC000249022366 662363051 /nfs/dbraw/zinc/36/30/51/662363051.db2.gz KKHFECIJHMYULH-RBUKOAKNSA-N 2 1 304.478 3.306 10 0 DGAEMP CO[C@@H]1CCC[C@@H]([NH2+]C[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000380978755 685154902 /nfs/dbraw/zinc/15/49/02/685154902.db2.gz HTIMCGSMZJBRQF-VAMGGRTRSA-N 2 1 316.489 3.446 10 0 DGAEMP C=CC[NH+]1CCC(N[C@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)CC1 ZINC000088716128 1177873410 /nfs/dbraw/zinc/87/34/10/1177873410.db2.gz YRCXJLWWIAVBQI-XLIONFOSSA-N 2 1 313.489 3.062 10 0 DGAEMP C=CC[NH+]1CCC(N[C@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)CC1 ZINC000088716128 1177873421 /nfs/dbraw/zinc/87/34/21/1177873421.db2.gz YRCXJLWWIAVBQI-XLIONFOSSA-N 2 1 313.489 3.062 10 0 DGAEMP CC[NH+](CC)CCC[NH2+]Cc1cc(F)cc(Br)c1 ZINC000093981585 1198743787 /nfs/dbraw/zinc/74/37/87/1198743787.db2.gz IBMBUDRHGLFMPB-UHFFFAOYSA-N 2 1 317.246 3.410 10 0 DGAEMP COc1ccc(C[NH2+]CCC[N@H+](C)Cc2ccccc2)cc1F ZINC000237125074 1202649253 /nfs/dbraw/zinc/64/92/53/1202649253.db2.gz CPVURTNBJAZAFR-UHFFFAOYSA-N 2 1 316.420 3.446 10 0 DGAEMP COc1ccc(C[NH2+]CCC[N@@H+](C)Cc2ccccc2)cc1F ZINC000237125074 1202649254 /nfs/dbraw/zinc/64/92/54/1202649254.db2.gz CPVURTNBJAZAFR-UHFFFAOYSA-N 2 1 316.420 3.446 10 0 DGAEMP C[N@H+]1CCN(CCC[NH2+]Cc2ccccc2)[C@@H](c2ccccc2)C1 ZINC000237205517 1202657081 /nfs/dbraw/zinc/65/70/81/1202657081.db2.gz CSJGNWDNRAZWJW-OAQYLSRUSA-N 2 1 323.484 3.155 10 0 DGAEMP C[C@H]([NH2+][C@H]1CCCSC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272657370 210063279 /nfs/dbraw/zinc/06/32/79/210063279.db2.gz LWZOOYYEMITWNK-SZMVWBNQSA-N 2 1 304.503 3.382 10 0 DGAEMP CC(C)OCC[NH+]1CCC([NH2+]C[C@H](C)Cc2ccccc2)CC1 ZINC000182067426 199382111 /nfs/dbraw/zinc/38/21/11/199382111.db2.gz ZNFHJCUFUKWLOW-GOSISDBHSA-N 2 1 318.505 3.344 10 0 DGAEMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]C1CCN(c2cccs2)CC1 ZINC000168430207 432068917 /nfs/dbraw/zinc/06/89/17/432068917.db2.gz YIXIATBXQXHEDF-IJEWVQPXSA-N 2 1 307.507 3.035 10 0 DGAEMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C1CCN(c2cccs2)CC1 ZINC000168429911 432069129 /nfs/dbraw/zinc/06/91/29/432069129.db2.gz YIXIATBXQXHEDF-FMKPAKJESA-N 2 1 307.507 3.035 10 0 DGAEMP c1cc(CCC[N@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)cc2c1OCC2 ZINC000415033397 237021508 /nfs/dbraw/zinc/02/15/08/237021508.db2.gz BRYJPBIDJOPVCN-RBUKOAKNSA-N 2 1 314.473 3.018 10 0 DGAEMP c1ccc(OCCCC[N@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)cc1 ZINC000415039657 237027675 /nfs/dbraw/zinc/02/76/75/237027675.db2.gz JJVPGESMQNLCNU-MJGOQNOKSA-N 2 1 302.462 3.310 10 0 DGAEMP CCCc1ccc(C[N@@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)cc1 ZINC000170941594 432088130 /nfs/dbraw/zinc/08/81/30/432088130.db2.gz GSWLUNFUIVUMIS-KRWDZBQOSA-N 2 1 318.505 3.164 10 0 DGAEMP CC[N@@H+]1CC[C@H](C[NH2+]Cc2cnc(-c3ccccc3F)s2)C1 ZINC000449093224 240014160 /nfs/dbraw/zinc/01/41/60/240014160.db2.gz WWSMIUVZNYCARI-CYBMUJFWSA-N 2 1 319.449 3.381 10 0 DGAEMP CC[N@H+]1CC[C@H](C[NH2+]Cc2cnc(-c3ccccc3F)s2)C1 ZINC000449093224 240014164 /nfs/dbraw/zinc/01/41/64/240014164.db2.gz WWSMIUVZNYCARI-CYBMUJFWSA-N 2 1 319.449 3.381 10 0 DGAEMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2c[nH]nc2-c2ccc(C)o2)[C@H](C)C1 ZINC000093638782 193278926 /nfs/dbraw/zinc/27/89/26/193278926.db2.gz QKJBFUCJHPTAQG-CZUORRHYSA-N 2 1 316.449 3.140 10 0 DGAEMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2c[nH]nc2-c2ccc(C)o2)[C@H](C)C1 ZINC000093638782 193278927 /nfs/dbraw/zinc/27/89/27/193278927.db2.gz QKJBFUCJHPTAQG-CZUORRHYSA-N 2 1 316.449 3.140 10 0 DGAEMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2c[nH]nc2-c2ccc(C)o2)[C@H](C)C1 ZINC000093638782 193278930 /nfs/dbraw/zinc/27/89/30/193278930.db2.gz QKJBFUCJHPTAQG-CZUORRHYSA-N 2 1 316.449 3.140 10 0 DGAEMP COCCCOc1cccc(C[N@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)c1 ZINC000093645071 193281830 /nfs/dbraw/zinc/28/18/30/193281830.db2.gz SBYXPBFAMKTUII-SJLPKXTDSA-N 2 1 320.477 3.016 10 0 DGAEMP COCCCOc1cccc(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)c1 ZINC000093645071 193281831 /nfs/dbraw/zinc/28/18/31/193281831.db2.gz SBYXPBFAMKTUII-SJLPKXTDSA-N 2 1 320.477 3.016 10 0 DGAEMP COCCCOc1cccc(C[NH+](C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000093645071 193281832 /nfs/dbraw/zinc/28/18/32/193281832.db2.gz SBYXPBFAMKTUII-SJLPKXTDSA-N 2 1 320.477 3.016 10 0 DGAEMP COCCCOc1cccc(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000093645071 193281833 /nfs/dbraw/zinc/28/18/33/193281833.db2.gz SBYXPBFAMKTUII-SJLPKXTDSA-N 2 1 320.477 3.016 10 0 DGAEMP COC[C@H](C)C[N@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000124332005 284257065 /nfs/dbraw/zinc/25/70/65/284257065.db2.gz BBYRNGKQBJJVRY-ZHALLVOQSA-N 2 1 304.478 3.254 10 0 DGAEMP COC[C@H](C)C[N@@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000124332005 284257069 /nfs/dbraw/zinc/25/70/69/284257069.db2.gz BBYRNGKQBJJVRY-ZHALLVOQSA-N 2 1 304.478 3.254 10 0 DGAEMP COC[C@H](C)C[NH+](C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000124332005 284257072 /nfs/dbraw/zinc/25/70/72/284257072.db2.gz BBYRNGKQBJJVRY-ZHALLVOQSA-N 2 1 304.478 3.254 10 0 DGAEMP COC[C@H](C)C[NH+](C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000124332005 284257076 /nfs/dbraw/zinc/25/70/76/284257076.db2.gz BBYRNGKQBJJVRY-ZHALLVOQSA-N 2 1 304.478 3.254 10 0 DGAEMP COCC1(C[NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CCC1 ZINC000282941732 217340574 /nfs/dbraw/zinc/34/05/74/217340574.db2.gz YWNHNIXJYFZEPV-PKOBYXMFSA-N 2 1 316.489 3.303 10 0 DGAEMP Cc1ccc(Cl)cc1NC(=O)CN(C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000246588713 432146639 /nfs/dbraw/zinc/14/66/39/432146639.db2.gz FTZYIOKZBZQHEX-ZFWWWQNUSA-N 2 1 323.868 3.001 10 0 DGAEMP CC(C)c1[nH+]ccn1[C@H](C[NH3+])c1ccccc1Br ZINC000043093764 183336699 /nfs/dbraw/zinc/33/66/99/183336699.db2.gz LAJBXRWCBPIJIA-CYBMUJFWSA-N 2 1 308.223 3.317 10 0 DGAEMP CCOc1ccccc1C[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000106166561 194189400 /nfs/dbraw/zinc/18/94/00/194189400.db2.gz BNJICDMMCMGDHW-UHFFFAOYSA-N 2 1 313.445 3.274 10 0 DGAEMP Cc1nc2ccc(C[N@H+]3C[C@@H]4CCC[C@H]([NH3+])[C@H]4C3)cc2s1 ZINC000261819325 285192755 /nfs/dbraw/zinc/19/27/55/285192755.db2.gz IGAGUFPDNWEVQC-KKUMJFAQSA-N 2 1 301.459 3.164 10 0 DGAEMP Cn1ccnc1CC1CCN(Cc2ccc(F)cc2F)CC1 ZINC000120485925 195175882 /nfs/dbraw/zinc/17/58/82/195175882.db2.gz CMZXSVPIZGULCD-UHFFFAOYSA-N 2 1 305.372 3.153 10 0 DGAEMP FC(F)(F)C1CCC([NH2+]C[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC000328641244 400183483 /nfs/dbraw/zinc/18/34/83/400183483.db2.gz QNAVYNFNNPWHPF-PNESKVBLSA-N 2 1 301.356 3.156 10 0 DGAEMP C[N@@H+](Cc1cccc(Cl)c1F)C[C@H]1CCc2[nH+]ccn2C1 ZINC000328656601 400184062 /nfs/dbraw/zinc/18/40/62/400184062.db2.gz ZMBFNWLNOGSSEJ-GFCCVEGCSA-N 2 1 307.800 3.370 10 0 DGAEMP C[N@H+](Cc1cccc(Cl)c1F)C[C@H]1CCc2[nH+]ccn2C1 ZINC000328656601 400184064 /nfs/dbraw/zinc/18/40/64/400184064.db2.gz ZMBFNWLNOGSSEJ-GFCCVEGCSA-N 2 1 307.800 3.370 10 0 DGAEMP c1cc(CN[C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)sn1 ZINC000404463124 400295417 /nfs/dbraw/zinc/29/54/17/400295417.db2.gz VJBJWGVULXARRA-RYQLBKOJSA-N 2 1 313.470 3.143 10 0 DGAEMP c1cc(C[NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)sn1 ZINC000404463124 400295419 /nfs/dbraw/zinc/29/54/19/400295419.db2.gz VJBJWGVULXARRA-RYQLBKOJSA-N 2 1 313.470 3.143 10 0 DGAEMP c1cc(C[NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)sn1 ZINC000404463124 400295422 /nfs/dbraw/zinc/29/54/22/400295422.db2.gz VJBJWGVULXARRA-RYQLBKOJSA-N 2 1 313.470 3.143 10 0 DGAEMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCCC(F)(F)C2)[C@@H](C)C1 ZINC000358311883 286028339 /nfs/dbraw/zinc/02/83/39/286028339.db2.gz ZXEKFQYWBRZJPR-XHSDSOJGSA-N 2 1 318.452 3.291 10 0 DGAEMP C([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)C(C1CCC1)C1CCC1 ZINC000624038295 401616673 /nfs/dbraw/zinc/61/66/73/401616673.db2.gz ANGKLSMQROCSRX-LJQANCHMSA-N 2 1 320.521 3.436 10 0 DGAEMP CCOCCCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000364438817 287026598 /nfs/dbraw/zinc/02/65/98/287026598.db2.gz BVWJGPCPHATPLR-HKUYNNGSSA-N 2 1 304.478 3.303 10 0 DGAEMP CCOCCCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000364438817 287026600 /nfs/dbraw/zinc/02/66/00/287026600.db2.gz BVWJGPCPHATPLR-HKUYNNGSSA-N 2 1 304.478 3.303 10 0 DGAEMP CCOC(=O)CCC[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000183688417 164957749 /nfs/dbraw/zinc/95/77/49/164957749.db2.gz WMQFSXBTAZQAGL-AWEZNQCLSA-N 2 1 315.417 3.175 10 0 DGAEMP c1cc(CCC[NH+]2CCC([NH+]3CCCC3)CC2)cc2c1OCC2 ZINC000193237167 165320323 /nfs/dbraw/zinc/32/03/23/165320323.db2.gz LUPWMGZKNYSYQA-UHFFFAOYSA-N 2 1 314.473 3.114 10 0 DGAEMP Fc1ccc2nc(C[N@H+]3CCC4(C3)CC[NH2+]CC4)sc2c1 ZINC000262079726 165785360 /nfs/dbraw/zinc/78/53/60/165785360.db2.gz SZLLVVYZCHLDJA-UHFFFAOYSA-N 2 1 305.422 3.011 10 0 DGAEMP c1coc(-c2cc(C[N@H+]3CC[C@@H](CNc4ccccn4)C3)no2)c1 ZINC000171645109 432154529 /nfs/dbraw/zinc/15/45/29/432154529.db2.gz PHMWVGFBLKMDHE-AWEZNQCLSA-N 2 1 324.384 3.264 10 0 DGAEMP c1coc(-c2cc(C[N@@H+]3CC[C@@H](CNc4ccccn4)C3)no2)c1 ZINC000171645109 432154531 /nfs/dbraw/zinc/15/45/31/432154531.db2.gz PHMWVGFBLKMDHE-AWEZNQCLSA-N 2 1 324.384 3.264 10 0 DGAEMP C[C@@H]1C[C@@H](N(C)Cc2ccccc2OC(F)(F)F)CC[N@H+]1C ZINC000130667968 196099427 /nfs/dbraw/zinc/09/94/27/196099427.db2.gz LJZPONNXMLYYDY-OCCSQVGLSA-N 2 1 316.367 3.500 10 0 DGAEMP C[C@@H]1C[C@@H]([N@H+](C)Cc2ccccc2OC(F)(F)F)CCN1C ZINC000130667968 196099429 /nfs/dbraw/zinc/09/94/29/196099429.db2.gz LJZPONNXMLYYDY-OCCSQVGLSA-N 2 1 316.367 3.500 10 0 DGAEMP C[C@@H]1C[C@@H]([N@@H+](C)Cc2ccccc2OC(F)(F)F)CCN1C ZINC000130667968 196099432 /nfs/dbraw/zinc/09/94/32/196099432.db2.gz LJZPONNXMLYYDY-OCCSQVGLSA-N 2 1 316.367 3.500 10 0 DGAEMP Cc1ccc(N2CCC[C@H]([NH2+][C@@H]3C[C@@H](C)[N@H+](C)C[C@@H]3C)C2)cc1 ZINC000247250862 432215028 /nfs/dbraw/zinc/21/50/28/432215028.db2.gz YIBOJYHHHVIAAY-HLNWXESRSA-N 2 1 315.505 3.282 10 0 DGAEMP CC[N@H+]1CC[C@@H]([NH+](C)CCCc2cccc(OC)c2)[C@@H](C)C1 ZINC000247325825 432223350 /nfs/dbraw/zinc/22/33/50/432223350.db2.gz XZZUCRZWAULBIA-QFBILLFUSA-N 2 1 304.478 3.290 10 0 DGAEMP CC[NH+]1CC[C@@H]([N@H+](C)CCCc2cccc(OC)c2)[C@@H](C)C1 ZINC000247325825 432223354 /nfs/dbraw/zinc/22/33/54/432223354.db2.gz XZZUCRZWAULBIA-QFBILLFUSA-N 2 1 304.478 3.290 10 0 DGAEMP Cc1cc(C)c([C@H](C)[NH2+]C[C@@H](O)C[NH+]2CCCCC2)cc1C ZINC000151341708 432238926 /nfs/dbraw/zinc/23/89/26/432238926.db2.gz JPHCUAOTOTYYSG-ZWKOTPCHSA-N 2 1 304.478 3.109 10 0 DGAEMP C[C@H]1C[C@@H]([NH+](C)Cc2ccc(OCC3CC3)cc2)CC[N@@H+]1C ZINC000191398862 432260496 /nfs/dbraw/zinc/26/04/96/432260496.db2.gz LDZCOHBVUIFQKC-YJBOKZPZSA-N 2 1 302.462 3.390 10 0 DGAEMP C[C@H]1C[C@@H]([NH+](C)Cc2ccc(OCC3CC3)cc2)CC[N@H+]1C ZINC000191398862 432260499 /nfs/dbraw/zinc/26/04/99/432260499.db2.gz LDZCOHBVUIFQKC-YJBOKZPZSA-N 2 1 302.462 3.390 10 0 DGAEMP C[C@H]1C[C@@H]([N@H+](C)Cc2ccc(OCC3CC3)cc2)CC[NH+]1C ZINC000191398862 432260503 /nfs/dbraw/zinc/26/05/03/432260503.db2.gz LDZCOHBVUIFQKC-YJBOKZPZSA-N 2 1 302.462 3.390 10 0 DGAEMP C[C@H]1C[C@@H]([N@@H+](C)Cc2ccc(OCC3CC3)cc2)CC[NH+]1C ZINC000191398862 432260507 /nfs/dbraw/zinc/26/05/07/432260507.db2.gz LDZCOHBVUIFQKC-YJBOKZPZSA-N 2 1 302.462 3.390 10 0 DGAEMP Cn1cc[nH+]c1CC1CC[NH+](CCSc2ccccc2)CC1 ZINC000117880473 431583459 /nfs/dbraw/zinc/58/34/59/431583459.db2.gz SDYYCQGFFRMJIU-UHFFFAOYSA-N 2 1 315.486 3.467 10 0 DGAEMP CC[N@H+]1CC[C@H]([NH+](C)CCOc2ccccc2Cl)[C@H](C)C1 ZINC000081096343 431782308 /nfs/dbraw/zinc/78/23/08/431782308.db2.gz HSIHCFFKFQDOOJ-ZBFHGGJFSA-N 2 1 310.869 3.381 10 0 DGAEMP CC[NH+]1CC[C@H]([N@H+](C)CCOc2ccccc2Cl)[C@H](C)C1 ZINC000081096343 431782314 /nfs/dbraw/zinc/78/23/14/431782314.db2.gz HSIHCFFKFQDOOJ-ZBFHGGJFSA-N 2 1 310.869 3.381 10 0 DGAEMP C[NH+]1CCN([C@H]2CCCC[N@H+](CCCC3CCCC3)C2)CC1 ZINC000122813779 431845335 /nfs/dbraw/zinc/84/53/35/431845335.db2.gz DARACZCYAXRXOG-IBGZPJMESA-N 2 1 307.526 3.059 10 0 DGAEMP C[NH+]1CCN([C@H]2CCCC[N@@H+](CCCC3CCCC3)C2)CC1 ZINC000122813779 431845336 /nfs/dbraw/zinc/84/53/36/431845336.db2.gz DARACZCYAXRXOG-IBGZPJMESA-N 2 1 307.526 3.059 10 0 DGAEMP CCc1nccn1[C@@H]1CCC[N@@H+](Cc2c[nH]nc2C(C)(C)C)C1 ZINC000122920707 431848871 /nfs/dbraw/zinc/84/88/71/431848871.db2.gz UVMUHRWMAMPNGQ-OAHLLOKOSA-N 2 1 315.465 3.303 10 0 DGAEMP C[C@@H]1C[C@@H]([NH+](C)Cc2cc(F)cc3cccnc32)CC[N@@H+]1C ZINC000123746883 431873314 /nfs/dbraw/zinc/87/33/14/431873314.db2.gz FLDITTOCCMGTBO-DYVFJYSZSA-N 2 1 301.409 3.288 10 0 DGAEMP C[C@@H]1C[C@@H]([NH+](C)Cc2cc(F)cc3cccnc32)CC[N@H+]1C ZINC000123746883 431873315 /nfs/dbraw/zinc/87/33/15/431873315.db2.gz FLDITTOCCMGTBO-DYVFJYSZSA-N 2 1 301.409 3.288 10 0 DGAEMP C[C@@H]1C[C@@H]([N@H+](C)Cc2cc(F)cc3cccnc32)CC[NH+]1C ZINC000123746883 431873317 /nfs/dbraw/zinc/87/33/17/431873317.db2.gz FLDITTOCCMGTBO-DYVFJYSZSA-N 2 1 301.409 3.288 10 0 DGAEMP C[C@@H]1C[C@@H]([N@@H+](C)Cc2cc(F)cc3cccnc32)CC[NH+]1C ZINC000123746883 431873318 /nfs/dbraw/zinc/87/33/18/431873318.db2.gz FLDITTOCCMGTBO-DYVFJYSZSA-N 2 1 301.409 3.288 10 0 DGAEMP C[C@H]1C[C@@H]([NH+](C)Cc2ccc(Br)cc2)CC[N@@H+]1C ZINC000123276528 431860889 /nfs/dbraw/zinc/86/08/89/431860889.db2.gz RBUZJBNIIXIQMM-WFASDCNBSA-N 2 1 311.267 3.364 10 0 DGAEMP C[C@H]1C[C@@H]([NH+](C)Cc2ccc(Br)cc2)CC[N@H+]1C ZINC000123276528 431860891 /nfs/dbraw/zinc/86/08/91/431860891.db2.gz RBUZJBNIIXIQMM-WFASDCNBSA-N 2 1 311.267 3.364 10 0 DGAEMP C[C@H]1C[C@@H]([N@H+](C)Cc2ccc(Br)cc2)CC[NH+]1C ZINC000123276528 431860893 /nfs/dbraw/zinc/86/08/93/431860893.db2.gz RBUZJBNIIXIQMM-WFASDCNBSA-N 2 1 311.267 3.364 10 0 DGAEMP C[C@H]1C[C@@H]([N@@H+](C)Cc2ccc(Br)cc2)CC[NH+]1C ZINC000123276528 431860894 /nfs/dbraw/zinc/86/08/94/431860894.db2.gz RBUZJBNIIXIQMM-WFASDCNBSA-N 2 1 311.267 3.364 10 0 DGAEMP Cc1c(Cl)cccc1NC(=O)CN(C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000123940680 431878592 /nfs/dbraw/zinc/87/85/92/431878592.db2.gz WAMCDWQNBQXUBG-OCCSQVGLSA-N 2 1 323.868 3.001 10 0 DGAEMP Cc1cccc(N2CCC([NH2+][C@H](C)c3cncc(F)c3)CC2)[nH+]1 ZINC000128204021 431989488 /nfs/dbraw/zinc/98/94/88/431989488.db2.gz JGBXGVQJCKKXGR-CQSZACIVSA-N 2 1 314.408 3.244 10 0 DGAEMP Cc1cc(-n2ccnc2)ccc1C[NH+](C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000248828502 432321819 /nfs/dbraw/zinc/32/18/19/432321819.db2.gz HNWRDIBLYURNKJ-WMZOPIPTSA-N 2 1 312.461 3.095 10 0 DGAEMP Cc1cc(-n2ccnc2)ccc1C[N@@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000248828502 432321823 /nfs/dbraw/zinc/32/18/23/432321823.db2.gz HNWRDIBLYURNKJ-WMZOPIPTSA-N 2 1 312.461 3.095 10 0 DGAEMP Cc1cc(-n2ccnc2)ccc1C[N@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000248828502 432321827 /nfs/dbraw/zinc/32/18/27/432321827.db2.gz HNWRDIBLYURNKJ-WMZOPIPTSA-N 2 1 312.461 3.095 10 0 DGAEMP Cc1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CC[N@H+](C3CC3)C1)CCCO2 ZINC000152433670 432332835 /nfs/dbraw/zinc/33/28/35/432332835.db2.gz SVWMZNAMPJXMIT-YJBOKZPZSA-N 2 1 300.446 3.283 10 0 DGAEMP CC[N@@H+]1CCCn2ccnc2[C@H]1C1CC[NH+](CC(C)C)CC1 ZINC000257189425 432415733 /nfs/dbraw/zinc/41/57/33/432415733.db2.gz IQQPVMBNRTXJDP-QGZVFWFLSA-N 2 1 304.482 3.018 10 0 DGAEMP CC[N@H+]1CCCn2ccnc2[C@H]1C1CC[NH+](CC(C)C)CC1 ZINC000257189425 432415736 /nfs/dbraw/zinc/41/57/36/432415736.db2.gz IQQPVMBNRTXJDP-QGZVFWFLSA-N 2 1 304.482 3.018 10 0 DGAEMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1ccnn1C ZINC000192852044 432422931 /nfs/dbraw/zinc/42/29/31/432422931.db2.gz MJJNMVYPVNYRDG-UXDRXVOSSA-N 2 1 324.472 3.266 10 0 DGAEMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccnn1C ZINC000192852044 432422937 /nfs/dbraw/zinc/42/29/37/432422937.db2.gz MJJNMVYPVNYRDG-UXDRXVOSSA-N 2 1 324.472 3.266 10 0 DGAEMP Cc1cccc([C@H](C)[N@@H+]2CCCC[C@H](N3CC[NH+](C)CC3)C2)c1 ZINC000154023993 432464945 /nfs/dbraw/zinc/46/49/45/432464945.db2.gz AMASQFNSCCIHPR-ICSRJNTNSA-N 2 1 315.505 3.158 10 0 DGAEMP Cc1cccc([C@H](C)[N@H+]2CCCC[C@H](N3CC[NH+](C)CC3)C2)c1 ZINC000154023993 432464947 /nfs/dbraw/zinc/46/49/47/432464947.db2.gz AMASQFNSCCIHPR-ICSRJNTNSA-N 2 1 315.505 3.158 10 0 DGAEMP COC[C@@H](C)C[NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000188007120 432699418 /nfs/dbraw/zinc/69/94/18/432699418.db2.gz VRDRXRQAXGAQDH-INIZCTEOSA-N 2 1 316.445 3.284 10 0 DGAEMP COc1cc(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)ccc1O ZINC000178010167 432685268 /nfs/dbraw/zinc/68/52/68/432685268.db2.gz XSEQCMIWEHWRTL-UHFFFAOYSA-N 2 1 318.461 3.288 10 0 DGAEMP c1ccc2oc([C@@H]3CCC[N@H+](CCC[NH+]4CCCC4)C3)nc2c1 ZINC000162796687 432834883 /nfs/dbraw/zinc/83/48/83/432834883.db2.gz IGVDEGWFVOCPFQ-MRXNPFEDSA-N 2 1 313.445 3.493 10 0 DGAEMP CCc1nccn1[C@H]1CCC[N@@H+](CCCCn2ccnc2C)C1 ZINC000163072228 432842567 /nfs/dbraw/zinc/84/25/67/432842567.db2.gz CXKRCYVRMSBNNZ-KRWDZBQOSA-N 3 1 315.465 3.068 10 0 DGAEMP CCc1nccn1[C@H]1CCC[N@H+](CCCCn2cc[nH+]c2C)C1 ZINC000163072228 432842569 /nfs/dbraw/zinc/84/25/69/432842569.db2.gz CXKRCYVRMSBNNZ-KRWDZBQOSA-N 3 1 315.465 3.068 10 0 DGAEMP CCc1nccn1[C@H]1CCC[N@@H+](CCCCn2cc[nH+]c2C)C1 ZINC000163072228 432842573 /nfs/dbraw/zinc/84/25/73/432842573.db2.gz CXKRCYVRMSBNNZ-KRWDZBQOSA-N 2 1 315.465 3.068 10 0 DGAEMP c1[nH]c(-c2ccccc2)nc1C[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000446886013 433122758 /nfs/dbraw/zinc/12/27/58/433122758.db2.gz DBQMIEDDWWLFNV-UHFFFAOYSA-N 2 1 310.445 3.041 10 0 DGAEMP CO[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000361456008 433181804 /nfs/dbraw/zinc/18/18/04/433181804.db2.gz HFIIUECUOKBNCX-GDAAHCPNSA-N 2 1 302.462 3.197 10 0 DGAEMP CO[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000361456008 433181815 /nfs/dbraw/zinc/18/18/15/433181815.db2.gz HFIIUECUOKBNCX-GDAAHCPNSA-N 2 1 302.462 3.197 10 0 DGAEMP CC(=O)c1c(C)cc(C)c(C[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c1C ZINC000420378709 433187507 /nfs/dbraw/zinc/18/75/07/433187507.db2.gz QNWDPYVILADTRI-FQEVSTJZSA-N 2 1 314.473 3.390 10 0 DGAEMP CC(=O)c1c(C)cc(C)c(C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c1C ZINC000420378709 433187512 /nfs/dbraw/zinc/18/75/12/433187512.db2.gz QNWDPYVILADTRI-FQEVSTJZSA-N 2 1 314.473 3.390 10 0 DGAEMP c1ccc(CCOCCC[N@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)cc1 ZINC000420381908 433192384 /nfs/dbraw/zinc/19/23/84/433192384.db2.gz CWZMYTYDTDBPQF-WOJBJXKFSA-N 2 1 316.489 3.100 10 0 DGAEMP C[N@H+](Cc1nccs1)[C@H]1CC12CC[NH+](C1CCCC1)CC2 ZINC000374832572 433287408 /nfs/dbraw/zinc/28/74/08/433287408.db2.gz LAVPCRIEQMUPFG-HNNXBMFYSA-N 2 1 305.491 3.372 10 0 DGAEMP C[N@@H+](Cc1nccs1)[C@H]1CC12CC[NH+](C1CCCC1)CC2 ZINC000374832572 433287413 /nfs/dbraw/zinc/28/74/13/433287413.db2.gz LAVPCRIEQMUPFG-HNNXBMFYSA-N 2 1 305.491 3.372 10 0 DGAEMP c1nc(C2CCC2)sc1C[NH2+]CCC[NH2+]Cc1cccnc1 ZINC000414874328 433896468 /nfs/dbraw/zinc/89/64/68/433896468.db2.gz HQBLIJULMUEVNZ-UHFFFAOYSA-N 2 1 316.474 3.075 10 0 DGAEMP c1cc(Oc2ccccc2)oc1C[NH2+][C@@H]1CCc2[nH]cnc2C1 ZINC000377773345 433991373 /nfs/dbraw/zinc/99/13/73/433991373.db2.gz GTIVZPNFRZYKJM-CYBMUJFWSA-N 2 1 309.369 3.442 10 0 DGAEMP O=C1CCC(C[N@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)CC1 ZINC000450345878 434117395 /nfs/dbraw/zinc/11/73/95/434117395.db2.gz CAVBUNVKMNNZDJ-GOSISDBHSA-N 2 1 306.494 3.334 10 0 DGAEMP c1c[nH]c([C@H]2CCCC[N@@H+]2Cc2cc(-n3ccnc3)cs2)n1 ZINC000346208805 434203549 /nfs/dbraw/zinc/20/35/49/434203549.db2.gz NCULYCXYXPNSPR-OAHLLOKOSA-N 2 1 313.430 3.384 10 0 DGAEMP O[C@@H](C[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1)CC1CCCC1 ZINC000381763096 434276399 /nfs/dbraw/zinc/27/63/99/434276399.db2.gz LRJMPXPEKSDVNC-WOJBJXKFSA-N 2 1 316.489 3.039 10 0 DGAEMP C[C@@H]1C[C@@H]([NH2+]CCOC(C)(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000379650405 434260467 /nfs/dbraw/zinc/26/04/67/434260467.db2.gz RRGYABXBJLXTDW-AEFFLSMTSA-N 2 1 304.478 3.444 10 0 DGAEMP C[C@@H]1C[C@@H]([NH2+]CCOC(C)(C)C)CC[N@H+]1Cc1ccccc1 ZINC000379650405 434260473 /nfs/dbraw/zinc/26/04/73/434260473.db2.gz RRGYABXBJLXTDW-AEFFLSMTSA-N 2 1 304.478 3.444 10 0 DGAEMP CC[C@](C)(C[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12)OC ZINC000319950272 434234692 /nfs/dbraw/zinc/23/46/92/434234692.db2.gz VDQOAVIHXRUDHI-UAFMIMERSA-N 2 1 316.489 3.302 10 0 DGAEMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)[C@H](C)O1 ZINC000384934320 434296594 /nfs/dbraw/zinc/29/65/94/434296594.db2.gz QICCZKJMAQRDNP-NPYRMBCDSA-N 2 1 314.473 3.053 10 0 DGAEMP c1ccc2c(c1)OCC[C@@H]2C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000388774497 434336502 /nfs/dbraw/zinc/33/65/02/434336502.db2.gz GOXLIEUSUUYCMX-SOLBZPMBSA-N 2 1 300.446 3.017 10 0 DGAEMP c1ccc2c(c1)OCC[C@@H]2C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000388773705 434336757 /nfs/dbraw/zinc/33/67/57/434336757.db2.gz GOXLIEUSUUYCMX-RYRKJORJSA-N 2 1 300.446 3.017 10 0 DGAEMP C[N@@H+]1CCC[C@H](C[NH2+]CC[C@@H]2CCOC2)[C@H]1c1cccs1 ZINC000438200769 434437101 /nfs/dbraw/zinc/43/71/01/434437101.db2.gz NXFPPXQLKXTOKQ-INMHGKMJSA-N 2 1 308.491 3.147 10 0 DGAEMP C[N@H+]1CCC[C@H](C[NH2+]CC[C@@H]2CCOC2)[C@H]1c1cccs1 ZINC000438200769 434437110 /nfs/dbraw/zinc/43/71/10/434437110.db2.gz NXFPPXQLKXTOKQ-INMHGKMJSA-N 2 1 308.491 3.147 10 0 DGAEMP c1cc(C[NH2+]C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)sn1 ZINC000404429478 434514643 /nfs/dbraw/zinc/51/46/43/434514643.db2.gz LCZTYSPCWXYXEQ-INIZCTEOSA-N 2 1 301.459 3.145 10 0 DGAEMP c1cc(C[NH2+]C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)sn1 ZINC000404429478 434514651 /nfs/dbraw/zinc/51/46/51/434514651.db2.gz LCZTYSPCWXYXEQ-INIZCTEOSA-N 2 1 301.459 3.145 10 0 DGAEMP c1cc(C[NH2+]C[C@H]2CCC[N@H+](Cc3ccccc3)C2)sn1 ZINC000404429480 434517581 /nfs/dbraw/zinc/51/75/81/434517581.db2.gz LCZTYSPCWXYXEQ-MRXNPFEDSA-N 2 1 301.459 3.145 10 0 DGAEMP c1cc(C[NH2+]C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)sn1 ZINC000404429480 434517588 /nfs/dbraw/zinc/51/75/88/434517588.db2.gz LCZTYSPCWXYXEQ-MRXNPFEDSA-N 2 1 301.459 3.145 10 0 DGAEMP c1ccc(C[NH+]2CCC([NH2+]CC[C@@H]3CCCOC3)CC2)cc1 ZINC000527739422 295123638 /nfs/dbraw/zinc/12/36/38/295123638.db2.gz NZAAFCKXQDZXNP-SFHVURJKSA-N 2 1 302.462 3.057 10 0 DGAEMP COc1ccc(OC)c([C@@H]2CCC[N@@H+]2CC[C@@H]2CCC[NH+]2C)c1 ZINC000247129044 295179678 /nfs/dbraw/zinc/17/96/78/295179678.db2.gz NLKCIBOTSLRUMP-YJBOKZPZSA-N 2 1 318.461 3.325 10 0 DGAEMP COc1ccc(OC)c([C@@H]2CCC[N@H+]2CC[C@@H]2CCC[NH+]2C)c1 ZINC000247129044 295179681 /nfs/dbraw/zinc/17/96/81/295179681.db2.gz NLKCIBOTSLRUMP-YJBOKZPZSA-N 2 1 318.461 3.325 10 0 DGAEMP COc1ccc(OC)c([C@@H]2CCC[NH+]2CC[C@@H]2CCC[N@@H+]2C)c1 ZINC000247129044 295179684 /nfs/dbraw/zinc/17/96/84/295179684.db2.gz NLKCIBOTSLRUMP-YJBOKZPZSA-N 2 1 318.461 3.325 10 0 DGAEMP COc1ccc(OC)c([C@@H]2CCC[NH+]2CC[C@@H]2CCC[N@H+]2C)c1 ZINC000247129044 295179687 /nfs/dbraw/zinc/17/96/87/295179687.db2.gz NLKCIBOTSLRUMP-YJBOKZPZSA-N 2 1 318.461 3.325 10 0 DGAEMP CC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccc(SC)c(OC)c2)C1 ZINC000360433899 434604654 /nfs/dbraw/zinc/60/46/54/434604654.db2.gz PQJVQSLXBCCMRE-KGLIPLIRSA-N 2 1 308.491 3.410 10 0 DGAEMP CC(C)(C)OC(=O)c1ccc(C[NH2+]CCC[NH+]2CCCC2)cc1 ZINC000462804971 434931062 /nfs/dbraw/zinc/93/10/62/434931062.db2.gz SZDBEEFAFCGLTC-UHFFFAOYSA-N 2 1 318.461 3.217 10 0 DGAEMP CC(C)C[C@@H](C)[NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000531677768 435109575 /nfs/dbraw/zinc/10/95/75/435109575.db2.gz VYQWQVMZMRFXBT-CVEARBPZSA-N 2 1 309.523 3.061 10 0 DGAEMP CC(C)CC[C@H](O)C[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000482684671 435478121 /nfs/dbraw/zinc/47/81/21/435478121.db2.gz QIDHQFLPJZYLAW-OALUTQOASA-N 2 1 310.526 3.372 10 0 DGAEMP CC(C)(C)OC(=O)CC[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000491054487 435698254 /nfs/dbraw/zinc/69/82/54/435698254.db2.gz CCPXZOPUXVEZAP-QGZVFWFLSA-N 2 1 324.509 3.306 10 0 DGAEMP CC(C)(C)OC(=O)CC[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000491054487 435698259 /nfs/dbraw/zinc/69/82/59/435698259.db2.gz CCPXZOPUXVEZAP-QGZVFWFLSA-N 2 1 324.509 3.306 10 0 DGAEMP C[C@@H](CCC(C)(C)C)[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000551525678 435839497 /nfs/dbraw/zinc/83/94/97/435839497.db2.gz KWKADIQZTUHOHL-PXNSSMCTSA-N 2 1 318.505 3.428 10 0 DGAEMP C[C@@H](CCC(C)(C)C)[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000551525678 435839502 /nfs/dbraw/zinc/83/95/02/435839502.db2.gz KWKADIQZTUHOHL-PXNSSMCTSA-N 2 1 318.505 3.428 10 0 DGAEMP CC[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)CO1 ZINC000657433730 436200978 /nfs/dbraw/zinc/20/09/78/436200978.db2.gz ZZGXJUYUPUODHP-USYVTKNRSA-N 2 1 314.473 3.054 10 0 DGAEMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C[C@](C)(O)C(C)C)cc1 ZINC000178118253 312786388 /nfs/dbraw/zinc/78/63/88/312786388.db2.gz FWEZEUKOCKLTNJ-KDOFPFPSSA-N 2 1 301.434 3.238 10 0 DGAEMP c1ccc([C@H](C[C@@H]2CCOC2)[NH2+][C@@H]2CC[NH2+]C23CCC3)cc1 ZINC000530222791 313342548 /nfs/dbraw/zinc/34/25/48/313342548.db2.gz RQQKYVTUCRAZRX-RYQLBKOJSA-N 2 1 300.446 3.029 10 0 DGAEMP C[C@H](NCC1([N@@H+](C)Cc2ccccc2)CCC1)[C@H]1CCC[NH2+]C1 ZINC000578004961 316293228 /nfs/dbraw/zinc/29/32/28/316293228.db2.gz SSZWJWNKRVZGBT-HKUYNNGSSA-N 2 1 315.505 3.019 10 0 DGAEMP C[C@H]([NH2+]CC1(N(C)Cc2ccccc2)CCC1)[C@H]1CCC[NH2+]C1 ZINC000578004961 316293230 /nfs/dbraw/zinc/29/32/30/316293230.db2.gz SSZWJWNKRVZGBT-HKUYNNGSSA-N 2 1 315.505 3.019 10 0 DGAEMP C[C@H]([NH2+]C[C@H]1CCC(C)(C)O1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309775657 533905032 /nfs/dbraw/zinc/90/50/32/533905032.db2.gz IZCWOYPKTRFFKG-QXAKKESOSA-N 2 1 316.489 3.444 10 0 DGAEMP COc1ccccc1CC1CC[NH+](CC[C@@H]2CCC[N@H+]2C)CC1 ZINC000083877901 545780780 /nfs/dbraw/zinc/78/07/80/545780780.db2.gz KMIZQHYHYLHHCR-IBGZPJMESA-N 2 1 316.489 3.434 10 0 DGAEMP O[C@@H](C[NH2+][C@@H](c1cccs1)C1CCCC1)C[NH+]1CCCCC1 ZINC000179405321 546135496 /nfs/dbraw/zinc/13/54/96/546135496.db2.gz HAXSNAPPRPEHEY-FUHWJXTLSA-N 2 1 322.518 3.416 10 0 DGAEMP CC[C@@H](C)C[N@@H+](C)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000120486183 621896531 /nfs/dbraw/zinc/89/65/31/621896531.db2.gz DIMGIEXHJJXGNV-XLIONFOSSA-N 2 1 318.505 3.410 10 0 DGAEMP Cc1[nH+]cc(CN2CC[C@@]3(C2)CCC[N@H+](CC(C)(C)C)C3)n1C ZINC000011935532 660487825 /nfs/dbraw/zinc/48/78/25/660487825.db2.gz LTTXMKMACATRTN-LJQANCHMSA-N 2 1 318.509 3.063 10 0 DGAEMP Cc1[nH+]cc(CN2CC[C@@]3(C2)CCC[N@@H+](CC(C)(C)C)C3)n1C ZINC000011935532 660487826 /nfs/dbraw/zinc/48/78/26/660487826.db2.gz LTTXMKMACATRTN-LJQANCHMSA-N 2 1 318.509 3.063 10 0 DGAEMP C[C@H](CC[NH2+]Cc1ccc(Br)c(F)c1)[NH+](C)C ZINC000700544157 660628742 /nfs/dbraw/zinc/62/87/42/660628742.db2.gz FJTBOXTWLFEFFC-SNVBAGLBSA-N 2 1 303.219 3.018 10 0 DGAEMP C[C@@H]1COCC[C@H]1[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716660628 661226222 /nfs/dbraw/zinc/22/62/22/661226222.db2.gz HHRKRZCZZMMXCB-QDGKJQRMSA-N 2 1 314.473 3.054 10 0 DGAEMP C[C@@H]1COCC[C@@H]1[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716660629 661226257 /nfs/dbraw/zinc/22/62/57/661226257.db2.gz HHRKRZCZZMMXCB-XZEJUNMKSA-N 2 1 314.473 3.054 10 0 DGAEMP C[C@H](CCCCO)[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716681550 661227490 /nfs/dbraw/zinc/22/74/90/661227490.db2.gz LNPURGNLYZXAMO-GTAWCEEGSA-N 2 1 316.489 3.180 10 0 DGAEMP C[C@H]([NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2)[C@@H]1CCOC1 ZINC000716734792 661228166 /nfs/dbraw/zinc/22/81/66/661228166.db2.gz WLFGDTWMGMXBOG-FLNBYBTLSA-N 2 1 314.473 3.054 10 0 DGAEMP COC[C@H](C)CNc1ccc([NH+]2CCC(C[NH+](C)C)CC2)cc1 ZINC000187597937 656605391 /nfs/dbraw/zinc/60/53/91/656605391.db2.gz BYUFFBXIMHGCGB-MRXNPFEDSA-N 2 1 319.493 3.159 10 0 DGAEMP C[C@@]1(C[N@H+]2CC[C@H](c3cccc(C(F)(F)F)c3)C2)CC[NH2+]C1 ZINC000261927914 657199634 /nfs/dbraw/zinc/19/96/34/657199634.db2.gz CJQXIKYLLDZBPO-GOEBONIOSA-N 2 1 312.379 3.494 10 0 DGAEMP CO[C@H]1C[C@@H](C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)C1 ZINC000721895934 658758942 /nfs/dbraw/zinc/75/89/42/658758942.db2.gz BPKKRDFHAHVLPF-CEXWTWQISA-N 2 1 316.489 3.302 10 0 DGAEMP CO[C@H]1C[C@@H](C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)C1 ZINC000721895934 658758944 /nfs/dbraw/zinc/75/89/44/658758944.db2.gz BPKKRDFHAHVLPF-CEXWTWQISA-N 2 1 316.489 3.302 10 0 DGAEMP C[N@H+](CC[C@H]1CCCC[NH+]1C)C[C@H](O)c1ccccc1Cl ZINC000075860521 661953987 /nfs/dbraw/zinc/95/39/87/661953987.db2.gz GCTCSICKXSVEGD-PBHICJAKSA-N 2 1 310.869 3.180 10 0 DGAEMP C[N@@H+](CC[C@H]1CCCC[NH+]1C)C[C@H](O)c1ccccc1Cl ZINC000075860521 661953991 /nfs/dbraw/zinc/95/39/91/661953991.db2.gz GCTCSICKXSVEGD-PBHICJAKSA-N 2 1 310.869 3.180 10 0 DGAEMP C[NH+](CC[C@H]1CCCC[N@@H+]1C)C[C@H](O)c1ccccc1Cl ZINC000075860521 661953992 /nfs/dbraw/zinc/95/39/92/661953992.db2.gz GCTCSICKXSVEGD-PBHICJAKSA-N 2 1 310.869 3.180 10 0 DGAEMP C[NH+](CC[C@H]1CCCC[N@H+]1C)C[C@H](O)c1ccccc1Cl ZINC000075860521 661953994 /nfs/dbraw/zinc/95/39/94/661953994.db2.gz GCTCSICKXSVEGD-PBHICJAKSA-N 2 1 310.869 3.180 10 0 DGAEMP C[C@@H](COCc1ccccc1)C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000719512107 662291308 /nfs/dbraw/zinc/29/13/08/662291308.db2.gz XHPASWPKCIGXBE-YJJAZYOBSA-N 2 1 302.462 3.054 10 0 DGAEMP C[C@H]([NH2+]CCc1ccns1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000719821707 662297159 /nfs/dbraw/zinc/29/71/59/662297159.db2.gz YADNWABNMIULIH-DOTOQJQBSA-N 2 1 315.486 3.186 10 0 DGAEMP COC(C)(C)[C@H](C)[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000720148539 662302795 /nfs/dbraw/zinc/30/27/95/662302795.db2.gz KXDJYOMFZCXSQV-KANFNMMFSA-N 2 1 316.489 3.443 10 0 DGAEMP c1ccc(OCC2CC2)c(C[NH2+]CCC[NH+]2CCCCC2)c1 ZINC000236586716 1202613701 /nfs/dbraw/zinc/61/37/01/1202613701.db2.gz SDGYCHCOMZVRQQ-UHFFFAOYSA-N 2 1 302.462 3.441 10 0 DGAEMP c1[nH]nc2cc(C[NH2+]C3CC[NH+](CC4CCCC4)CC3)ccc12 ZINC000236624010 1202614994 /nfs/dbraw/zinc/61/49/94/1202614994.db2.gz QLWNWZBSYJJOTI-UHFFFAOYSA-N 2 1 312.461 3.307 10 0 DGAEMP CC(C)[C@H]1C[C@H]([NH2+]CCC[N@@H+](C)Cc2ccccc2)CCO1 ZINC000378921244 1108001940 /nfs/dbraw/zinc/00/19/40/1108001940.db2.gz PJOINPRHIGUXIE-RTBURBONSA-N 2 1 304.478 3.302 10 0 DGAEMP C[C@H]([NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)c1cnccn1 ZINC000310470064 231112919 /nfs/dbraw/zinc/11/29/19/231112919.db2.gz BCSQWHFNJRZDRT-DSLXNQLJSA-N 2 1 322.456 3.038 10 0 DGAEMP C[C@H]([NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)c1cnccn1 ZINC000310470064 231112921 /nfs/dbraw/zinc/11/29/21/231112921.db2.gz BCSQWHFNJRZDRT-DSLXNQLJSA-N 2 1 322.456 3.038 10 0 DGAEMP c1ccc2cc(C[NH2+]C3CCC(N4CC[NH2+]CC4)CC3)ccc2c1 ZINC000415050024 237034877 /nfs/dbraw/zinc/03/48/77/237034877.db2.gz IBOUSZGKBXBFPX-UHFFFAOYSA-N 2 1 323.484 3.146 10 0 DGAEMP COc1ccc(C[C@H](C)C[N@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)cc1F ZINC000186830590 200017631 /nfs/dbraw/zinc/01/76/31/200017631.db2.gz BWOFJENXPNYWSY-YQQAZPJKSA-N 2 1 322.468 3.427 10 0 DGAEMP COc1ccc(C[C@H](C)C[N@@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)cc1F ZINC000186830590 200017633 /nfs/dbraw/zinc/01/76/33/200017633.db2.gz BWOFJENXPNYWSY-YQQAZPJKSA-N 2 1 322.468 3.427 10 0 DGAEMP COc1ccc(C[C@H](C)C[NH+](C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1F ZINC000186830590 200017635 /nfs/dbraw/zinc/01/76/35/200017635.db2.gz BWOFJENXPNYWSY-YQQAZPJKSA-N 2 1 322.468 3.427 10 0 DGAEMP COc1ccc(C[C@H](C)C[NH+](C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1F ZINC000186830590 200017636 /nfs/dbraw/zinc/01/76/36/200017636.db2.gz BWOFJENXPNYWSY-YQQAZPJKSA-N 2 1 322.468 3.427 10 0 DGAEMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)CCCCc2ccccc2)CC1 ZINC000186975091 200040735 /nfs/dbraw/zinc/04/07/35/200040735.db2.gz CHEZKRSTNKOBHC-SFHVURJKSA-N 2 1 318.505 3.034 10 0 DGAEMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)[C@H](C)CCc2ccccc2)CC1 ZINC000170941640 432088219 /nfs/dbraw/zinc/08/82/19/432088219.db2.gz REKVFMLSPCCWFQ-QZTJIDSGSA-N 2 1 318.505 3.032 10 0 DGAEMP c1ccc(OCC2CC2)c(C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000093597954 284013125 /nfs/dbraw/zinc/01/31/25/284013125.db2.gz WJBGDRNQIXUIIY-SFHVURJKSA-N 2 1 314.473 3.393 10 0 DGAEMP c1ccc(OCC2CC2)c(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000093597954 284013128 /nfs/dbraw/zinc/01/31/28/284013128.db2.gz WJBGDRNQIXUIIY-SFHVURJKSA-N 2 1 314.473 3.393 10 0 DGAEMP COCCCOc1cccc(C[N@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)c1 ZINC000093645073 193280383 /nfs/dbraw/zinc/28/03/83/193280383.db2.gz SBYXPBFAMKTUII-AEFFLSMTSA-N 2 1 320.477 3.016 10 0 DGAEMP COCCCOc1cccc(C[N@@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)c1 ZINC000093645073 193280388 /nfs/dbraw/zinc/28/03/88/193280388.db2.gz SBYXPBFAMKTUII-AEFFLSMTSA-N 2 1 320.477 3.016 10 0 DGAEMP COCCCOc1cccc(C[NH+](C)[C@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000093645073 193280391 /nfs/dbraw/zinc/28/03/91/193280391.db2.gz SBYXPBFAMKTUII-AEFFLSMTSA-N 2 1 320.477 3.016 10 0 DGAEMP COCCCOc1cccc(C[NH+](C)[C@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000093645073 193280393 /nfs/dbraw/zinc/28/03/93/193280393.db2.gz SBYXPBFAMKTUII-AEFFLSMTSA-N 2 1 320.477 3.016 10 0 DGAEMP Cc1nc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)nc2ccccc12 ZINC000171386903 432129035 /nfs/dbraw/zinc/12/90/35/432129035.db2.gz HNCUKLGOXZCSTB-UHFFFAOYSA-N 2 1 324.472 3.246 10 0 DGAEMP CCO[C@H]1C[C@H]([NH2+]C2CCN(c3cccc(C)[nH+]3)CC2)C1(C)C ZINC000181766146 432143230 /nfs/dbraw/zinc/14/32/30/432143230.db2.gz PIGPBTDYVJXFLL-IRXDYDNUSA-N 2 1 317.477 3.152 10 0 DGAEMP CCO[C@@H]1C[C@H]([NH2+]C2CCN(c3cccc(C)[nH+]3)CC2)C1(C)C ZINC000181766126 432143589 /nfs/dbraw/zinc/14/35/89/432143589.db2.gz PIGPBTDYVJXFLL-DLBZAZTESA-N 2 1 317.477 3.152 10 0 DGAEMP CCc1[nH+]ccn1[C@@H](c1ccc(Br)cc1)[C@H](C)[NH3+] ZINC000042956209 183322719 /nfs/dbraw/zinc/32/27/19/183322719.db2.gz LMZQHLLSCMGHFI-IINYFYTJSA-N 2 1 308.223 3.145 10 0 DGAEMP CCc1[nH+]ccn1[C@H](c1ccc(Br)cc1)[C@@H](C)[NH3+] ZINC000042956206 183323127 /nfs/dbraw/zinc/32/31/27/183323127.db2.gz LMZQHLLSCMGHFI-YGRLFVJLSA-N 2 1 308.223 3.145 10 0 DGAEMP CC[C@@H]([NH3+])[C@H](c1cccc(Br)c1)n1cc[nH+]c1C ZINC000043022068 183329461 /nfs/dbraw/zinc/32/94/61/183329461.db2.gz KDQJLYSNYXAIEW-KGLIPLIRSA-N 2 1 308.223 3.281 10 0 DGAEMP CC[C@]1(C[N@H+](C)Cc2cc(Br)cs2)CC[NH2+]C1 ZINC000062911901 184259226 /nfs/dbraw/zinc/25/92/26/184259226.db2.gz LSWWLRBUYSLRFB-ZDUSSCGKSA-N 2 1 317.296 3.332 10 0 DGAEMP CC[C@]1(C[N@@H+](C)Cc2cc(Br)cs2)CC[NH2+]C1 ZINC000062911901 184259229 /nfs/dbraw/zinc/25/92/29/184259229.db2.gz LSWWLRBUYSLRFB-ZDUSSCGKSA-N 2 1 317.296 3.332 10 0 DGAEMP C[C@](C[NH3+])([C@H]1CCOC1)[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000306948747 400127136 /nfs/dbraw/zinc/12/71/36/400127136.db2.gz AAPXMHFNBYDJPZ-SFTDATJTSA-N 2 1 324.468 3.443 10 0 DGAEMP COC(=O)C(C)(C)[C@H]([NH2+]CC[C@H]1CCC[N@H+]1C)c1ccccc1 ZINC000611405351 400394648 /nfs/dbraw/zinc/39/46/48/400394648.db2.gz LLYWXJZPPGOPBL-IAGOWNOFSA-N 2 1 318.461 3.001 10 0 DGAEMP C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)[C@H]2CC[C@@H]([NH3+])C2)cc1 ZINC000262651484 401118975 /nfs/dbraw/zinc/11/89/75/401118975.db2.gz AJRXODWUNGTWKR-HYVNUMGLSA-N 2 1 315.461 3.127 10 0 DGAEMP C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)[C@H]2CC[C@H]([NH3+])C2)cc1 ZINC000262651487 401119338 /nfs/dbraw/zinc/11/93/38/401119338.db2.gz AJRXODWUNGTWKR-PVAVHDDUSA-N 2 1 315.461 3.127 10 0 DGAEMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCCCO1 ZINC000623879225 401592912 /nfs/dbraw/zinc/59/29/12/401592912.db2.gz AZNDYPSQVGKJHZ-SXLOBPIMSA-N 2 1 316.489 3.446 10 0 DGAEMP c1cc2c(cc1[C@@H]1CCC[N@H+]1CCC[NH+]1CCCC1)OCCO2 ZINC000193458451 165327453 /nfs/dbraw/zinc/32/74/53/165327453.db2.gz JPWSQNFAIJAJRV-KRWDZBQOSA-N 2 1 316.445 3.081 10 0 DGAEMP c1cc2c(cc1[C@@H]1CCC[N@@H+]1CCC[NH+]1CCCC1)OCCO2 ZINC000193458451 165327455 /nfs/dbraw/zinc/32/74/55/165327455.db2.gz JPWSQNFAIJAJRV-KRWDZBQOSA-N 2 1 316.445 3.081 10 0 DGAEMP Fc1ccc2oc(C[NH+]3CCC(C[NH+]4CCCC4)CC3)nc2c1 ZINC000151011157 432211160 /nfs/dbraw/zinc/21/11/60/432211160.db2.gz YOHNJCQSIYOPIH-UHFFFAOYSA-N 2 1 317.408 3.275 10 0 DGAEMP CC[N@H+]1CC[C@@H](C[NH2+][C@H]2CCCOc3cc(C)c(C)cc32)C1 ZINC000247228582 432213403 /nfs/dbraw/zinc/21/34/03/432213403.db2.gz YDFUQLNVNSFJFO-WMZOPIPTSA-N 2 1 302.462 3.449 10 0 DGAEMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccccc2-n2ccc(C)n2)[C@@H](C)C1 ZINC000247289194 432218060 /nfs/dbraw/zinc/21/80/60/432218060.db2.gz UBQNKCCCXFBUNP-YJBOKZPZSA-N 2 1 312.461 3.001 10 0 DGAEMP C[C@@H]1c2cccc(Br)c2CC[N@@H+]1CC1CC[NH2+]CC1 ZINC000262018929 279132231 /nfs/dbraw/zinc/13/22/31/279132231.db2.gz VZKMEUBPBRZYJL-GFCCVEGCSA-N 2 1 323.278 3.368 10 0 DGAEMP CC[N@H+]1CC[C@@H](N(C)Cc2ccccc2OC(F)F)[C@H](C)C1 ZINC000081095968 431781180 /nfs/dbraw/zinc/78/11/80/431781180.db2.gz NOVWRILMTWODKX-UKRRQHHQSA-N 2 1 312.404 3.450 10 0 DGAEMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccccc2OC(F)F)[C@H](C)C1 ZINC000081095968 431781188 /nfs/dbraw/zinc/78/11/88/431781188.db2.gz NOVWRILMTWODKX-UKRRQHHQSA-N 2 1 312.404 3.450 10 0 DGAEMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccccc2OC(F)F)[C@H](C)C1 ZINC000081095968 431781194 /nfs/dbraw/zinc/78/11/94/431781194.db2.gz NOVWRILMTWODKX-UKRRQHHQSA-N 2 1 312.404 3.450 10 0 DGAEMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccccc2OC(F)F)[C@H](C)C1 ZINC000081095968 431781201 /nfs/dbraw/zinc/78/12/01/431781201.db2.gz NOVWRILMTWODKX-UKRRQHHQSA-N 2 1 312.404 3.450 10 0 DGAEMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(OC(F)F)cc2)[C@H](C)C1 ZINC000081095614 431783501 /nfs/dbraw/zinc/78/35/01/431783501.db2.gz ZLBRVGLTYJQPHZ-CZUORRHYSA-N 2 1 312.404 3.450 10 0 DGAEMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(OC(F)F)cc2)[C@H](C)C1 ZINC000081095614 431783509 /nfs/dbraw/zinc/78/35/09/431783509.db2.gz ZLBRVGLTYJQPHZ-CZUORRHYSA-N 2 1 312.404 3.450 10 0 DGAEMP C[N@H+](Cc1ccccc1)CC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000089361412 431864037 /nfs/dbraw/zinc/86/40/37/431864037.db2.gz JMPMXBCQLGXBPE-PMACEKPBSA-N 2 1 316.489 3.134 10 0 DGAEMP C[C@@H]1C[C@H](N(C)Cc2ccccc2Br)CC[N@H+]1C ZINC000123958063 431879502 /nfs/dbraw/zinc/87/95/02/431879502.db2.gz WQMRHLDCXPDITO-TZMCWYRMSA-N 2 1 311.267 3.364 10 0 DGAEMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(N(C)C(C)C)nc2)[C@@H](C)C1 ZINC000248893626 432327043 /nfs/dbraw/zinc/32/70/43/432327043.db2.gz SRCULRANRLEXKU-WMZOPIPTSA-N 2 1 318.509 3.088 10 0 DGAEMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(N(C)C(C)C)nc2)[C@@H](C)C1 ZINC000248893626 432327047 /nfs/dbraw/zinc/32/70/47/432327047.db2.gz SRCULRANRLEXKU-WMZOPIPTSA-N 2 1 318.509 3.088 10 0 DGAEMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(N(C)C(C)C)nc2)[C@@H](C)C1 ZINC000248893626 432327054 /nfs/dbraw/zinc/32/70/54/432327054.db2.gz SRCULRANRLEXKU-WMZOPIPTSA-N 2 1 318.509 3.088 10 0 DGAEMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(N(C)C(C)C)nc2)[C@@H](C)C1 ZINC000248893626 432327056 /nfs/dbraw/zinc/32/70/56/432327056.db2.gz SRCULRANRLEXKU-WMZOPIPTSA-N 2 1 318.509 3.088 10 0 DGAEMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCC=CO2)CC[N@@H+]1Cc1ccccc1 ZINC000249191238 432340894 /nfs/dbraw/zinc/34/08/94/432340894.db2.gz OIBYGRFJDPLJKB-BHIYHBOVSA-N 2 1 300.446 3.322 10 0 DGAEMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCC=CO2)CC[N@H+]1Cc1ccccc1 ZINC000249191238 432340897 /nfs/dbraw/zinc/34/08/97/432340897.db2.gz OIBYGRFJDPLJKB-BHIYHBOVSA-N 2 1 300.446 3.322 10 0 DGAEMP C[C@@H]1COCC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000249247813 432343455 /nfs/dbraw/zinc/34/34/55/432343455.db2.gz FLAMNLOQPLOLDL-MNIJEXPFSA-N 2 1 314.473 3.197 10 0 DGAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CCc1ccc(F)c(F)c1 ZINC000152146820 432308799 /nfs/dbraw/zinc/30/87/99/432308799.db2.gz SPSXXBXMTOEHJW-OAHLLOKOSA-N 2 1 305.372 3.177 10 0 DGAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1CCc1ccc(F)c(F)c1 ZINC000152146820 432308805 /nfs/dbraw/zinc/30/88/05/432308805.db2.gz SPSXXBXMTOEHJW-OAHLLOKOSA-N 2 1 305.372 3.177 10 0 DGAEMP O[C@@H](CNc1cc[nH+]c2ccc(Cl)cc12)C[NH+]1CCCCC1 ZINC000174685057 432364651 /nfs/dbraw/zinc/36/46/51/432364651.db2.gz RVBVWUGAXXTBPU-AWEZNQCLSA-N 2 1 319.836 3.147 10 0 DGAEMP CCOc1ccc(OCC[N@@H+](C)[C@@H]2CC[NH+](CC)C[C@H]2C)cc1 ZINC000174781941 432370050 /nfs/dbraw/zinc/37/00/50/432370050.db2.gz YKAYGJNABXNCDF-VQIMIIECSA-N 2 1 320.477 3.126 10 0 DGAEMP CCOc1ccc(OCC[NH+](C)[C@@H]2CC[N@H+](CC)C[C@H]2C)cc1 ZINC000174781941 432370056 /nfs/dbraw/zinc/37/00/56/432370056.db2.gz YKAYGJNABXNCDF-VQIMIIECSA-N 2 1 320.477 3.126 10 0 DGAEMP CCOc1ccc(OCC[NH+](C)[C@@H]2CC[N@@H+](CC)C[C@H]2C)cc1 ZINC000174781941 432370061 /nfs/dbraw/zinc/37/00/61/432370061.db2.gz YKAYGJNABXNCDF-VQIMIIECSA-N 2 1 320.477 3.126 10 0 DGAEMP CC(C)(C)c1ccc([C@H]2CCCN2Cc2noc(C[NH3+])n2)cc1 ZINC000261869951 432455804 /nfs/dbraw/zinc/45/58/04/432455804.db2.gz XFHLHGSLBOOIBB-OAHLLOKOSA-N 2 1 314.433 3.163 10 0 DGAEMP c1c2ccccc2sc1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1 ZINC000261920625 432459857 /nfs/dbraw/zinc/45/98/57/432459857.db2.gz KFTYZSFJUFXXCY-GVDBMIGSSA-N 2 1 316.470 3.148 10 0 DGAEMP COc1cc([C@H](C)[NH2+]CCCCn2cc[nH+]c2C)ccc1F ZINC000153973439 432460554 /nfs/dbraw/zinc/46/05/54/432460554.db2.gz HFKHEKLOPKKNKD-ZDUSSCGKSA-N 2 1 305.397 3.470 10 0 DGAEMP CCCc1cccc(C[N@@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)c1 ZINC000186942561 432637927 /nfs/dbraw/zinc/63/79/27/432637927.db2.gz YCAWTZLGUBNNEC-QGZVFWFLSA-N 2 1 318.505 3.164 10 0 DGAEMP COc1ccccc1C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)C(C)C ZINC000158252324 432642312 /nfs/dbraw/zinc/64/23/12/432642312.db2.gz YDCOHYJRVIPTQC-WMZOPIPTSA-N 2 1 304.478 3.194 10 0 DGAEMP [NH3+][C@@H]1CCC[C@@H]2CN(c3cc[nH+]c4cc(Cl)ccc43)C[C@H]21 ZINC000228550823 432719552 /nfs/dbraw/zinc/71/95/52/432719552.db2.gz LQBWOEAAAHEFCO-KCPJHIHWSA-N 2 1 301.821 3.452 10 0 DGAEMP CCC[C@H](C(=O)Nc1cccc2c1C[N@@H+](CC(C)C)C2)[NH+](C)C ZINC000162185415 432816342 /nfs/dbraw/zinc/81/63/42/432816342.db2.gz LUOHMJPDCCJYNY-GOSISDBHSA-N 2 1 317.477 3.327 10 0 DGAEMP Cc1cccnc1CC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000296234179 432886308 /nfs/dbraw/zinc/88/63/08/432886308.db2.gz CGMKBUOMGYTFPS-NQIIRXRSSA-N 2 1 323.484 3.433 10 0 DGAEMP CC[C@@H](NC[C@@H]1CCC[N@@H+]1CCOC)c1cc(F)ccc1F ZINC000163320707 432849973 /nfs/dbraw/zinc/84/99/73/432849973.db2.gz OMFGGYDRNSYYQI-WMLDXEAASA-N 2 1 312.404 3.116 10 0 DGAEMP CC[C@@H](NC[C@@H]1CCC[N@H+]1CCOC)c1cc(F)ccc1F ZINC000163320707 432849977 /nfs/dbraw/zinc/84/99/77/432849977.db2.gz OMFGGYDRNSYYQI-WMLDXEAASA-N 2 1 312.404 3.116 10 0 DGAEMP O[C@@H](C[C@@H]1CCC[N@H+]1CCC[NH+]1CCCC1)c1ccc(F)cc1 ZINC000163388665 432850466 /nfs/dbraw/zinc/85/04/66/432850466.db2.gz DRBWETZGFKIZIF-OALUTQOASA-N 2 1 320.452 3.200 10 0 DGAEMP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC[C@H]1CC(=O)c1ccc(F)cc1 ZINC000245706944 432857352 /nfs/dbraw/zinc/85/73/52/432857352.db2.gz SEJDRVBSSNKDBF-ROUUACIJSA-N 2 1 318.436 3.347 10 0 DGAEMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC[C@H]1CC(=O)c1ccc(F)cc1 ZINC000245706944 432857354 /nfs/dbraw/zinc/85/73/54/432857354.db2.gz SEJDRVBSSNKDBF-ROUUACIJSA-N 2 1 318.436 3.347 10 0 DGAEMP C[NH+]1CCC[C@H]1CC[N@@H+]1CCC[C@H]1CC(=O)c1ccc(F)cc1 ZINC000245706944 432857356 /nfs/dbraw/zinc/85/73/56/432857356.db2.gz SEJDRVBSSNKDBF-ROUUACIJSA-N 2 1 318.436 3.347 10 0 DGAEMP C[NH+]1CCC[C@H]1CC[N@H+]1CCC[C@H]1CC(=O)c1ccc(F)cc1 ZINC000245706944 432857359 /nfs/dbraw/zinc/85/73/59/432857359.db2.gz SEJDRVBSSNKDBF-ROUUACIJSA-N 2 1 318.436 3.347 10 0 DGAEMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCCOC(F)F ZINC000367181546 293035074 /nfs/dbraw/zinc/03/50/74/293035074.db2.gz YUWKRQOYCINBCI-GOEBONIOSA-N 2 1 312.404 3.116 10 0 DGAEMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCCOC(F)F ZINC000367181546 293035075 /nfs/dbraw/zinc/03/50/75/293035075.db2.gz YUWKRQOYCINBCI-GOEBONIOSA-N 2 1 312.404 3.116 10 0 DGAEMP c1c2cccnc2oc1CN1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000449049819 433708234 /nfs/dbraw/zinc/70/82/34/433708234.db2.gz SFKTYIFNTGYDME-QAPCUYQASA-N 2 1 311.429 3.277 10 0 DGAEMP c1c2cccnc2oc1C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000449049819 433708246 /nfs/dbraw/zinc/70/82/46/433708246.db2.gz SFKTYIFNTGYDME-QAPCUYQASA-N 2 1 311.429 3.277 10 0 DGAEMP c1c2cccnc2oc1C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000449049819 433708259 /nfs/dbraw/zinc/70/82/59/433708259.db2.gz SFKTYIFNTGYDME-QAPCUYQASA-N 2 1 311.429 3.277 10 0 DGAEMP c1c2cccnc2oc1C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000449049819 433708270 /nfs/dbraw/zinc/70/82/70/433708270.db2.gz SFKTYIFNTGYDME-QAPCUYQASA-N 2 1 311.429 3.277 10 0 DGAEMP c1cc(Oc2ccccc2)oc1C[NH2+][C@H]1CCc2[nH]cnc2C1 ZINC000377773347 433988777 /nfs/dbraw/zinc/98/87/77/433988777.db2.gz GTIVZPNFRZYKJM-ZDUSSCGKSA-N 2 1 309.369 3.442 10 0 DGAEMP C[N@H+](C[C@H]1CCC[C@@H](O)C1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000309682660 434095929 /nfs/dbraw/zinc/09/59/29/434095929.db2.gz AEUWDASGDYTQJG-AZUAARDMSA-N 2 1 316.489 3.134 10 0 DGAEMP C[N@@H+](C[C@H]1CCC[C@@H](O)C1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000309682660 434095940 /nfs/dbraw/zinc/09/59/40/434095940.db2.gz AEUWDASGDYTQJG-AZUAARDMSA-N 2 1 316.489 3.134 10 0 DGAEMP C[C@H](c1ccccc1Br)[N@@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000311199116 434113569 /nfs/dbraw/zinc/11/35/69/434113569.db2.gz JNQUWJQETCXRFR-LALPHHSUSA-N 2 1 311.267 3.427 10 0 DGAEMP C[C@H](c1ccccc1Br)[N@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000311199116 434113576 /nfs/dbraw/zinc/11/35/76/434113576.db2.gz JNQUWJQETCXRFR-LALPHHSUSA-N 2 1 311.267 3.427 10 0 DGAEMP C[C@@H]1C[N@H+](CCCC[NH2+][C@@H]2CCCC[C@@H]2C2CC2)C[C@H](C)O1 ZINC000507464646 294299482 /nfs/dbraw/zinc/29/94/82/294299482.db2.gz XZOJPDTWUFZTGD-UKBAYJJMSA-N 2 1 308.510 3.434 10 0 DGAEMP O[C@@H](C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)CC1CCCC1 ZINC000381763093 434274792 /nfs/dbraw/zinc/27/47/92/434274792.db2.gz LRJMPXPEKSDVNC-VQTJNVASSA-N 2 1 316.489 3.039 10 0 DGAEMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1CCC([NH3+])CC1 ZINC000390563727 434360958 /nfs/dbraw/zinc/36/09/58/434360958.db2.gz BAOGJGHYGQHGEG-ACBHZAAOSA-N 3 1 315.505 3.147 10 0 DGAEMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1CCC([NH3+])CC1 ZINC000390563727 434360967 /nfs/dbraw/zinc/36/09/67/434360967.db2.gz BAOGJGHYGQHGEG-ACBHZAAOSA-N 3 1 315.505 3.147 10 0 DGAEMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1N[C@H]1CCC[NH2+]CC1 ZINC000390575583 434362132 /nfs/dbraw/zinc/36/21/32/434362132.db2.gz CYUUMXRPURXKOO-RBUKOAKNSA-N 2 1 315.505 3.019 10 0 DGAEMP CC1(C)CN(Cc2ccccc2)CC[C@H]1[NH2+][C@H]1CCC[NH2+]CC1 ZINC000390575583 434362142 /nfs/dbraw/zinc/36/21/42/434362142.db2.gz CYUUMXRPURXKOO-RBUKOAKNSA-N 2 1 315.505 3.019 10 0 DGAEMP C[C@@H](CC(C)(C)O)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000390699214 434365909 /nfs/dbraw/zinc/36/59/09/434365909.db2.gz SOLOWNZFPKKAKC-UXDRXVOSSA-N 2 1 316.489 3.321 10 0 DGAEMP [NH3+][C@H]1CCC[C@H](NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000390722554 434366256 /nfs/dbraw/zinc/36/62/56/434366256.db2.gz ZPEYZYUXRJNOJK-XIBWBMNSSA-N 2 1 313.489 3.042 10 0 DGAEMP [NH3+][C@H]1CCC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000390722554 434366264 /nfs/dbraw/zinc/36/62/64/434366264.db2.gz ZPEYZYUXRJNOJK-XIBWBMNSSA-N 3 1 313.489 3.042 10 0 DGAEMP [NH3+][C@H]1CCC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000390722554 434366274 /nfs/dbraw/zinc/36/62/74/434366274.db2.gz ZPEYZYUXRJNOJK-XIBWBMNSSA-N 3 1 313.489 3.042 10 0 DGAEMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)[C@@H](C)O1 ZINC000295677313 434429380 /nfs/dbraw/zinc/42/93/80/434429380.db2.gz KPKWGNIJDKHJCH-RTYCURFASA-N 2 1 302.462 3.195 10 0 DGAEMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)[C@@H](C)O1 ZINC000295677313 434429390 /nfs/dbraw/zinc/42/93/90/434429390.db2.gz KPKWGNIJDKHJCH-RTYCURFASA-N 2 1 302.462 3.195 10 0 DGAEMP C[C@H]([NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)[C@H]1CC1(C)C ZINC000397629182 434441813 /nfs/dbraw/zinc/44/18/13/434441813.db2.gz NPIXZLVSGUQNKY-QXAKKESOSA-N 2 1 316.489 3.302 10 0 DGAEMP C[C@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)[C@H]1CC1(C)C ZINC000397629182 434441818 /nfs/dbraw/zinc/44/18/18/434441818.db2.gz NPIXZLVSGUQNKY-QXAKKESOSA-N 2 1 316.489 3.302 10 0 DGAEMP C[C@@H](Cc1ccc(Br)cc1)[NH2+][C@H]1CC[C@@H](C)[NH2+]C1 ZINC000399027139 434468115 /nfs/dbraw/zinc/46/81/15/434468115.db2.gz HRERVSMXZLDKEA-XUJVJEKNSA-N 2 1 311.267 3.110 10 0 DGAEMP C[C@H](Cc1ccc(Br)cc1)[NH2+][C@H]1CC[C@@H](C)[NH2+]C1 ZINC000399027131 434469252 /nfs/dbraw/zinc/46/92/52/434469252.db2.gz HRERVSMXZLDKEA-JMSVASOKSA-N 2 1 311.267 3.110 10 0 DGAEMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCC[C@H]1CCOC1 ZINC000400516269 434487112 /nfs/dbraw/zinc/48/71/12/434487112.db2.gz BZTRSZSFRFCWIX-HOJAQTOUSA-N 2 1 316.489 3.303 10 0 DGAEMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCC[C@H]1CCOC1 ZINC000400516269 434487121 /nfs/dbraw/zinc/48/71/21/434487121.db2.gz BZTRSZSFRFCWIX-HOJAQTOUSA-N 2 1 316.489 3.303 10 0 DGAEMP c1ccc(CC[NH+]2CCC([NH2+]CC[C@@H]3CCCOC3)CC2)cc1 ZINC000527740535 295123520 /nfs/dbraw/zinc/12/35/20/295123520.db2.gz VDPHKEJMHVEVDN-IBGZPJMESA-N 2 1 316.489 3.100 10 0 DGAEMP c1nc(CN2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)oc1C1CC1 ZINC000371185950 434652204 /nfs/dbraw/zinc/65/22/04/434652204.db2.gz VEMVWLDOZFNIQL-GOEBONIOSA-N 2 1 301.434 3.001 10 0 DGAEMP C[N@H+]1CCC[C@H](C[NH2+][C@H](C[C@H]2CCOC2)c2ccccc2)C1 ZINC000533640518 435249408 /nfs/dbraw/zinc/24/94/08/435249408.db2.gz UYIDFPGLGKEMDC-ZHALLVOQSA-N 2 1 302.462 3.086 10 0 DGAEMP C[N@H+]1CCC[C@H](C[NH2+][C@@H](C[C@H]2CCOC2)c2ccccc2)C1 ZINC000533640516 435250511 /nfs/dbraw/zinc/25/05/11/435250511.db2.gz UYIDFPGLGKEMDC-LMMKCTJWSA-N 2 1 302.462 3.086 10 0 DGAEMP CO[C@@H]1CCC[C@@H]1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000537096026 435425221 /nfs/dbraw/zinc/42/52/21/435425221.db2.gz DHCMVLARHCOLJJ-OJAHFUOMSA-N 2 1 316.489 3.302 10 0 DGAEMP CC[C@H](C)[C@](C)(O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000482951797 435488140 /nfs/dbraw/zinc/48/81/40/435488140.db2.gz AYFLCWVQTTZPFJ-LCLWPZTBSA-N 2 1 318.505 3.284 10 0 DGAEMP C[N@H+]1CCC[C@H](C[NH2+]Cc2ccc(C(=O)OC(C)(C)C)cc2)C1 ZINC000545199525 314232307 /nfs/dbraw/zinc/23/23/07/314232307.db2.gz SFZNBSAEGYFQDA-MRXNPFEDSA-N 2 1 318.461 3.073 10 0 DGAEMP c1cc2c(cc1C[N@H+]1CCS[C@@H]3CCCC[C@@H]31)C[NH2+]CC2 ZINC000581553620 324129769 /nfs/dbraw/zinc/12/97/69/324129769.db2.gz YBFKAUHYECNHDT-ZWKOTPCHSA-N 2 1 302.487 3.192 10 0 DGAEMP CC(C)[C@@H]([NH3+])CC[N@H+](C)Cc1ccccc1OC(F)(F)F ZINC000156688838 519796352 /nfs/dbraw/zinc/79/63/52/519796352.db2.gz PGDSRNBEBGSMJR-ZDUSSCGKSA-N 2 1 304.356 3.390 10 0 DGAEMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)Cc1ccccc1OC(F)(F)F ZINC000156688838 519796353 /nfs/dbraw/zinc/79/63/53/519796353.db2.gz PGDSRNBEBGSMJR-ZDUSSCGKSA-N 2 1 304.356 3.390 10 0 DGAEMP CC(C)[C@H]([NH3+])CC[N@H+](C)Cc1ccccc1OC(F)(F)F ZINC000156688697 519817666 /nfs/dbraw/zinc/81/76/66/519817666.db2.gz PGDSRNBEBGSMJR-CYBMUJFWSA-N 2 1 304.356 3.390 10 0 DGAEMP CC(C)[C@H]([NH3+])CC[N@@H+](C)Cc1ccccc1OC(F)(F)F ZINC000156688697 519817667 /nfs/dbraw/zinc/81/76/67/519817667.db2.gz PGDSRNBEBGSMJR-CYBMUJFWSA-N 2 1 304.356 3.390 10 0 DGAEMP Cc1ccsc1C[NH2+]C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000328642546 534474584 /nfs/dbraw/zinc/47/45/84/534474584.db2.gz RCKJEDDZSHHINZ-RDJZCZTQSA-N 2 1 301.459 3.234 10 0 DGAEMP Cc1ccsc1C[NH2+]C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000328642546 534474586 /nfs/dbraw/zinc/47/45/86/534474586.db2.gz RCKJEDDZSHHINZ-RDJZCZTQSA-N 2 1 301.459 3.234 10 0 DGAEMP Cc1ccc2[nH+]ccc(N3CC[NH+](Cc4cccnc4)CC3)c2c1 ZINC000302150826 534520682 /nfs/dbraw/zinc/52/06/82/534520682.db2.gz KGPFEXMHEMCTEL-UHFFFAOYSA-N 2 1 318.424 3.260 10 0 DGAEMP Brc1ccccc1C[N@@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000415054300 526647934 /nfs/dbraw/zinc/64/79/34/526647934.db2.gz PRLFVERPDYWYPR-XJKSGUPXSA-N 2 1 323.278 3.413 10 0 DGAEMP Brc1ccccc1C[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000415054300 526647939 /nfs/dbraw/zinc/64/79/39/526647939.db2.gz PRLFVERPDYWYPR-XJKSGUPXSA-N 2 1 323.278 3.413 10 0 DGAEMP C[C@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1ccc([S@@](C)=O)cc1 ZINC000247092881 546308702 /nfs/dbraw/zinc/30/87/02/546308702.db2.gz OCSOHZDTHALDKS-KUZVCPPVSA-N 2 1 320.502 3.090 10 0 DGAEMP C[C@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1ccc([S@@](C)=O)cc1 ZINC000247092881 546308707 /nfs/dbraw/zinc/30/87/07/546308707.db2.gz OCSOHZDTHALDKS-KUZVCPPVSA-N 2 1 320.502 3.090 10 0 DGAEMP C[C@@H]1C[N@@H+](Cc2ccc(Br)cc2F)C[C@H]1CC[NH3+] ZINC000723892354 655729094 /nfs/dbraw/zinc/72/90/94/655729094.db2.gz XHQOHUOJPHSYCU-GHMZBOCLSA-N 2 1 315.230 3.005 10 0 DGAEMP C[C@]1(C[N@H+]2CCCCC[C@H]2C[C@H](O)c2ccccc2)CC[NH2+]C1 ZINC000262044655 655757707 /nfs/dbraw/zinc/75/77/07/655757707.db2.gz POPAVZPMGBDKRV-UFYCRDLUSA-N 2 1 316.489 3.354 10 0 DGAEMP CSC[C@@H](C)[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716624080 661225236 /nfs/dbraw/zinc/22/52/36/661225236.db2.gz DBHCXYKVJLMBJT-SPUZQDLCSA-N 2 1 304.503 3.381 10 0 DGAEMP C[C@@H]1CSC[C@@H]1[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716671663 661226267 /nfs/dbraw/zinc/22/62/67/661226267.db2.gz HKWINKYCTZXHBE-XXQMMXQMSA-N 2 1 316.514 3.381 10 0 DGAEMP CC[C@H](COC)[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716674221 661226724 /nfs/dbraw/zinc/22/67/24/661226724.db2.gz VVUQRZOZJNCFHG-RDGPPVDQSA-N 2 1 302.462 3.054 10 0 DGAEMP CC(C)(CO)CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716697569 661227459 /nfs/dbraw/zinc/22/74/59/661227459.db2.gz HLCCOOZYXBVBKG-OTWHNJEPSA-N 2 1 316.489 3.038 10 0 DGAEMP C[C@@H](CCCO)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716695886 661227673 /nfs/dbraw/zinc/22/76/73/661227673.db2.gz ZITNLFSUUHLJDZ-LEAZDLGRSA-N 2 1 316.489 3.038 10 0 DGAEMP C[C@H](CCCO)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716695887 661227703 /nfs/dbraw/zinc/22/77/03/661227703.db2.gz ZITNLFSUUHLJDZ-MDNKFWRPSA-N 2 1 316.489 3.038 10 0 DGAEMP CC[C@](C)(C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2)OC ZINC000716728278 661227926 /nfs/dbraw/zinc/22/79/26/661227926.db2.gz OEVDDOZSZCXEOY-ZGXWSNOMSA-N 2 1 316.489 3.444 10 0 DGAEMP COCC1(C[NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)CC1 ZINC000716729710 661228217 /nfs/dbraw/zinc/22/82/17/661228217.db2.gz VGUFWLXTMLNLFR-FHWLQOOXSA-N 2 1 314.473 3.056 10 0 DGAEMP C[N@H+](Cc1cccc(OC(F)(F)F)c1)C[C@]1(C)CC[NH2+]C1 ZINC000262042024 657297570 /nfs/dbraw/zinc/29/75/70/657297570.db2.gz PEWUZDFEPJEJMH-CQSZACIVSA-N 2 1 302.340 3.017 10 0 DGAEMP C[N@@H+](Cc1cccc(OC(F)(F)F)c1)C[C@]1(C)CC[NH2+]C1 ZINC000262042024 657297572 /nfs/dbraw/zinc/29/75/72/657297572.db2.gz PEWUZDFEPJEJMH-CQSZACIVSA-N 2 1 302.340 3.017 10 0 DGAEMP Cc1cc(Cl)cc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)c1O ZINC000180751694 659969514 /nfs/dbraw/zinc/96/95/14/659969514.db2.gz DONRYTFZMVZDDV-CJNGLKHVSA-N 2 1 308.853 3.270 10 0 DGAEMP CO[C@H]1CCC[C@H]([NH2+]CCC[N@@H+](C)Cc2ccccc2)CC1 ZINC000718838579 662262524 /nfs/dbraw/zinc/26/25/24/662262524.db2.gz BHVPMFKWZXUKEQ-OALUTQOASA-N 2 1 304.478 3.446 10 0 DGAEMP COCC1(C[NH2+]C[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)CCC1 ZINC000381975964 685161688 /nfs/dbraw/zinc/16/16/88/685161688.db2.gz LOIKYWXNQQHZJN-IBGZPJMESA-N 2 1 316.489 3.305 10 0 DGAEMP CCC[C@H](C)C[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000390723582 685204121 /nfs/dbraw/zinc/20/41/21/685204121.db2.gz ZVZUBYZUEMHAME-PKOBYXMFSA-N 2 1 304.478 3.303 10 0 DGAEMP CCC[C@H](C)C[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000390723582 685204130 /nfs/dbraw/zinc/20/41/30/685204130.db2.gz ZVZUBYZUEMHAME-PKOBYXMFSA-N 2 1 304.478 3.303 10 0 DGAEMP CO[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000398121549 685235457 /nfs/dbraw/zinc/23/54/57/685235457.db2.gz HEXHHXKXHQDAOA-WZGPROSRSA-N 2 1 302.462 3.054 10 0 DGAEMP CO[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000398121549 685235462 /nfs/dbraw/zinc/23/54/62/685235462.db2.gz HEXHHXKXHQDAOA-WZGPROSRSA-N 2 1 302.462 3.054 10 0 DGAEMP C=CCOc1ccc(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)cc1Cl ZINC000066972320 1195579903 /nfs/dbraw/zinc/57/99/03/1195579903.db2.gz QXTZULRKLQVMOM-HNNXBMFYSA-N 2 1 320.864 3.479 10 0 DGAEMP Cc1ncsc1C[NH2+]CC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000080234675 1197050012 /nfs/dbraw/zinc/05/00/12/1197050012.db2.gz INBGGHQLKWFYFB-AWEZNQCLSA-N 2 1 303.475 3.452 10 0 DGAEMP Cc1ncsc1C[NH2+]CC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000080234675 1197050013 /nfs/dbraw/zinc/05/00/13/1197050013.db2.gz INBGGHQLKWFYFB-AWEZNQCLSA-N 2 1 303.475 3.452 10 0 DGAEMP CC(C)[C@H]1C[C@@H]([NH2+]CCC[N@@H+](C)Cc2ccccc2)CCO1 ZINC000378921243 1108002317 /nfs/dbraw/zinc/00/23/17/1108002317.db2.gz PJOINPRHIGUXIE-RBUKOAKNSA-N 2 1 304.478 3.302 10 0 DGAEMP Cc1ccc(-c2n[nH]cc2C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)o1 ZINC000131836191 432040070 /nfs/dbraw/zinc/04/00/70/432040070.db2.gz UQVLFYWIKIAZDP-MQVJKMGUSA-N 2 1 314.433 3.083 10 0 DGAEMP COCc1cccc(C[NH+]2CCC(Cc3[nH+]ccn3C)CC2)c1 ZINC000179213822 432051041 /nfs/dbraw/zinc/05/10/41/432051041.db2.gz ZWPWNWBBKQURRZ-UHFFFAOYSA-N 2 1 313.445 3.021 10 0 DGAEMP CCN1CCC[C@H]([NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)C1 ZINC000133035035 432057133 /nfs/dbraw/zinc/05/71/33/432057133.db2.gz PGKIJZMNCQRUSB-YJBOKZPZSA-N 2 1 312.461 3.316 10 0 DGAEMP C[C@@H]1C[C@H]([NH+](C)Cc2ccc3c(c2)COC(C)(C)O3)CC[N@@H+]1C ZINC000186830663 200018047 /nfs/dbraw/zinc/01/80/47/200018047.db2.gz FVRMYQRMFFCRSK-RHSMWYFYSA-N 2 1 318.461 3.246 10 0 DGAEMP C[C@@H]1C[C@H]([NH+](C)Cc2ccc3c(c2)COC(C)(C)O3)CC[N@H+]1C ZINC000186830663 200018048 /nfs/dbraw/zinc/01/80/48/200018048.db2.gz FVRMYQRMFFCRSK-RHSMWYFYSA-N 2 1 318.461 3.246 10 0 DGAEMP C[C@@H]1C[C@H]([N@H+](C)Cc2ccc3c(c2)COC(C)(C)O3)CC[NH+]1C ZINC000186830663 200018050 /nfs/dbraw/zinc/01/80/50/200018050.db2.gz FVRMYQRMFFCRSK-RHSMWYFYSA-N 2 1 318.461 3.246 10 0 DGAEMP C[C@@H]1C[C@H]([N@@H+](C)Cc2ccc3c(c2)COC(C)(C)O3)CC[NH+]1C ZINC000186830663 200018052 /nfs/dbraw/zinc/01/80/52/200018052.db2.gz FVRMYQRMFFCRSK-RHSMWYFYSA-N 2 1 318.461 3.246 10 0 DGAEMP C[C@@H]1C[C@@H]([NH+](C)Cc2ccc3c(c2)COC(C)(C)O3)CC[N@@H+]1C ZINC000186830702 200018101 /nfs/dbraw/zinc/01/81/01/200018101.db2.gz FVRMYQRMFFCRSK-PBHICJAKSA-N 2 1 318.461 3.246 10 0 DGAEMP C[C@@H]1C[C@@H]([NH+](C)Cc2ccc3c(c2)COC(C)(C)O3)CC[N@H+]1C ZINC000186830702 200018103 /nfs/dbraw/zinc/01/81/03/200018103.db2.gz FVRMYQRMFFCRSK-PBHICJAKSA-N 2 1 318.461 3.246 10 0 DGAEMP C[C@@H]1C[C@@H]([N@H+](C)Cc2ccc3c(c2)COC(C)(C)O3)CC[NH+]1C ZINC000186830702 200018104 /nfs/dbraw/zinc/01/81/04/200018104.db2.gz FVRMYQRMFFCRSK-PBHICJAKSA-N 2 1 318.461 3.246 10 0 DGAEMP C[C@@H]1C[C@@H]([N@@H+](C)Cc2ccc3c(c2)COC(C)(C)O3)CC[NH+]1C ZINC000186830702 200018106 /nfs/dbraw/zinc/01/81/06/200018106.db2.gz FVRMYQRMFFCRSK-PBHICJAKSA-N 2 1 318.461 3.246 10 0 DGAEMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000459343081 243341262 /nfs/dbraw/zinc/34/12/62/243341262.db2.gz PWKVWCYQSJEULA-UFYCRDLUSA-N 2 1 316.489 3.223 10 0 DGAEMP C[C@@H](c1nc(C(C)(C)C)no1)[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000123479491 284239266 /nfs/dbraw/zinc/23/92/66/284239266.db2.gz CECTXLCNDPRJHJ-AWEZNQCLSA-N 2 1 322.497 3.482 10 0 DGAEMP COC[C@@H](C)C[NH2+]Cc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000249457093 285074777 /nfs/dbraw/zinc/07/47/77/285074777.db2.gz DQJFIFDCTUGLLS-DLBZAZTESA-N 2 1 304.478 3.433 10 0 DGAEMP c1c(C[NH2+]C2CC[NH+](C3CCC3)CC2)[nH]nc1-c1ccccc1 ZINC000343776504 254186790 /nfs/dbraw/zinc/18/67/90/254186790.db2.gz YXUDAWFUAASYLB-UHFFFAOYSA-N 2 1 310.445 3.183 10 0 DGAEMP CC(C)CC[C@](C)(O)C[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000174423085 400856410 /nfs/dbraw/zinc/85/64/10/400856410.db2.gz IDNMXRXDRDRNEE-FQEVSTJZSA-N 2 1 318.505 3.428 10 0 DGAEMP Clc1ccc(COCC[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000358254377 286011993 /nfs/dbraw/zinc/01/19/93/286011993.db2.gz QICOUNHXTYGMBX-SJORKVTESA-N 2 1 308.853 3.073 10 0 DGAEMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@H]1CCCCO1 ZINC000623879223 401592988 /nfs/dbraw/zinc/59/29/88/401592988.db2.gz AZNDYPSQVGKJHZ-DFQSSKMNSA-N 2 1 316.489 3.446 10 0 DGAEMP C[N@H+]1CCCC[C@H](C[NH2+]C2CC(OCc3ccccc3)C2)C1 ZINC000624124055 401629486 /nfs/dbraw/zinc/62/94/86/401629486.db2.gz WBKRMBXWPREVPW-LMDPOFIKSA-N 2 1 302.462 3.056 10 0 DGAEMP COc1ccc2nc(CN(C)[C@H]3CC[N@@H+](C)[C@@H](C)C3)sc2c1 ZINC000187120368 165077171 /nfs/dbraw/zinc/07/71/71/165077171.db2.gz DVURMJSWPRMEQD-STQMWFEESA-N 2 1 319.474 3.219 10 0 DGAEMP COc1ccc(CC[N@H+]2CC[C@@H]3[C@@H](CCCN3C3CC3)C2)cc1 ZINC000246969326 432186723 /nfs/dbraw/zinc/18/67/23/432186723.db2.gz VIZSZSHRIJLFHR-FXAWDEMLSA-N 2 1 314.473 3.186 10 0 DGAEMP COc1ccc(CC[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000246969326 432186725 /nfs/dbraw/zinc/18/67/25/432186725.db2.gz VIZSZSHRIJLFHR-FXAWDEMLSA-N 2 1 314.473 3.186 10 0 DGAEMP COc1ccc(CC[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000246969326 432186728 /nfs/dbraw/zinc/18/67/28/432186728.db2.gz VIZSZSHRIJLFHR-FXAWDEMLSA-N 2 1 314.473 3.186 10 0 DGAEMP COc1ccc(CC[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000246969326 432186731 /nfs/dbraw/zinc/18/67/31/432186731.db2.gz VIZSZSHRIJLFHR-FXAWDEMLSA-N 2 1 314.473 3.186 10 0 DGAEMP COc1ccc(CC[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000246969326 432186733 /nfs/dbraw/zinc/18/67/33/432186733.db2.gz VIZSZSHRIJLFHR-FXAWDEMLSA-N 2 1 314.473 3.186 10 0 DGAEMP CC1=CCC[C@H](C)[C@H]1C[N@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000191068011 432216804 /nfs/dbraw/zinc/21/68/04/432216804.db2.gz GZLYGCRGVSCNCX-SCTDSRPQSA-N 2 1 308.510 3.003 10 0 DGAEMP Cc1[nH+]c2c(n1[C@@H]1CC[N@H+](CC3(O)CCCCC3)C1)CCCC2 ZINC000299744099 229383184 /nfs/dbraw/zinc/38/31/84/229383184.db2.gz QWNNBLMFWXAMGM-MRXNPFEDSA-N 2 1 317.477 3.012 10 0 DGAEMP Cc1[nH+]c2c(n1[C@@H]1CC[N@@H+](CC3(O)CCCCC3)C1)CCCC2 ZINC000299744099 229383187 /nfs/dbraw/zinc/38/31/87/229383187.db2.gz QWNNBLMFWXAMGM-MRXNPFEDSA-N 2 1 317.477 3.012 10 0 DGAEMP CO[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C(C)C ZINC000347423704 264218430 /nfs/dbraw/zinc/21/84/30/264218430.db2.gz HPBMZYXTFYRAAQ-RAFMOHDBSA-N 2 1 316.489 3.443 10 0 DGAEMP CO[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C(C)C ZINC000347423699 264218572 /nfs/dbraw/zinc/21/85/72/264218572.db2.gz HPBMZYXTFYRAAQ-NXEWRWPSSA-N 2 1 316.489 3.443 10 0 DGAEMP CC[C@@H]([NH2+]C[C@H](O)CN1CCCCC1)c1ccc(Cl)s1 ZINC000151334447 432237749 /nfs/dbraw/zinc/23/77/49/432237749.db2.gz VDHJQDNQDPZONB-QWHCGFSZSA-N 2 1 316.898 3.289 10 0 DGAEMP C[C@H](CCN[C@@H]1CCCc2n[nH]cc21)[N@@H+](C)Cc1ccccc1 ZINC000367601922 271049114 /nfs/dbraw/zinc/04/91/14/271049114.db2.gz QKJQMCHTWPWHCC-CRAIPNDOSA-N 2 1 312.461 3.287 10 0 DGAEMP C[C@H](CC[NH2+][C@@H]1CCCc2n[nH]cc21)[N@@H+](C)Cc1ccccc1 ZINC000367601922 271049118 /nfs/dbraw/zinc/04/91/18/271049118.db2.gz QKJQMCHTWPWHCC-CRAIPNDOSA-N 2 1 312.461 3.287 10 0 DGAEMP CC(C)(C)c1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)cc1 ZINC000261990216 278560703 /nfs/dbraw/zinc/56/07/03/278560703.db2.gz SPSLXJYTWZRRJX-IPMKNSEASA-N 2 1 316.489 3.231 10 0 DGAEMP CC[N@H+]1CC[C@H]([NH+](C)CCOc2ccc(SC)cc2)[C@H](C)C1 ZINC000079462132 431724578 /nfs/dbraw/zinc/72/45/78/431724578.db2.gz DDDLBTLOJQXKNO-QAPCUYQASA-N 2 1 322.518 3.449 10 0 DGAEMP CC[NH+]1CC[C@H]([N@H+](C)CCOc2ccc(SC)cc2)[C@H](C)C1 ZINC000079462132 431724584 /nfs/dbraw/zinc/72/45/84/431724584.db2.gz DDDLBTLOJQXKNO-QAPCUYQASA-N 2 1 322.518 3.449 10 0 DGAEMP CC[NH+]1CC[C@H]([N@@H+](C)CCOc2ccc(SC)cc2)[C@H](C)C1 ZINC000079462132 431724591 /nfs/dbraw/zinc/72/45/91/431724591.db2.gz DDDLBTLOJQXKNO-QAPCUYQASA-N 2 1 322.518 3.449 10 0 DGAEMP Cn1ncc2c1CCC[C@H]2[NH2+]C1CC[NH+](CC2CCCC2)CC1 ZINC000120756799 431732663 /nfs/dbraw/zinc/73/26/63/431732663.db2.gz RWJQHMHTUSZGNQ-GOSISDBHSA-N 2 1 316.493 3.042 10 0 DGAEMP Clc1cccc(OCC[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)c1 ZINC000037917794 431851516 /nfs/dbraw/zinc/85/15/16/431851516.db2.gz AMJXMXUKNMAIPU-YOEHRIQHSA-N 2 1 308.853 3.183 10 0 DGAEMP CC(C)(C)[C@@H]1CCCC[C@@H]1[NH2+]CCCC[N@H+]1CCC[C@H]1CO ZINC000248185639 432275055 /nfs/dbraw/zinc/27/50/55/432275055.db2.gz XGVDIWQUKBBXCF-KSZLIROESA-N 2 1 310.526 3.418 10 0 DGAEMP CC[C@@H]1CN(c2ccccc2)CC[N@H+]1CC[C@H]1CCC[NH+]1C ZINC000248388529 432283125 /nfs/dbraw/zinc/28/31/25/432283125.db2.gz DYZZAXQOQNRCHW-QZTJIDSGSA-N 2 1 301.478 3.072 10 0 DGAEMP CC[C@@H]1CN(c2ccccc2)CC[NH+]1CC[C@H]1CCC[N@@H+]1C ZINC000248388529 432283129 /nfs/dbraw/zinc/28/31/29/432283129.db2.gz DYZZAXQOQNRCHW-QZTJIDSGSA-N 2 1 301.478 3.072 10 0 DGAEMP CC[C@@H]1CN(c2ccccc2)CC[NH+]1CC[C@H]1CCC[N@H+]1C ZINC000248388529 432283134 /nfs/dbraw/zinc/28/31/34/432283134.db2.gz DYZZAXQOQNRCHW-QZTJIDSGSA-N 2 1 301.478 3.072 10 0 DGAEMP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12)[C@@H]1CCCO1 ZINC000248416528 432288965 /nfs/dbraw/zinc/28/89/65/432288965.db2.gz PSSAQIHKJIJKSL-ZMHJYQQXSA-N 2 1 314.473 3.054 10 0 DGAEMP CC(C)[NH+]1CCN(CCC[N@H+]2C[C@@H](C)[C@@H]2c2ccccc2)CC1 ZINC000249062175 432336909 /nfs/dbraw/zinc/33/69/09/432336909.db2.gz PVWAQNKLQVPIDH-UYAOXDASSA-N 2 1 315.505 3.096 10 0 DGAEMP CC[C@@H]1CN(c2ccccc2)CC[N@H+]1CC[C@@H]1CCC[NH+]1C ZINC000184018448 432345794 /nfs/dbraw/zinc/34/57/94/432345794.db2.gz DYZZAXQOQNRCHW-MSOLQXFVSA-N 2 1 301.478 3.072 10 0 DGAEMP CC[C@@H]1CN(c2ccccc2)CC[NH+]1CC[C@@H]1CCC[N@@H+]1C ZINC000184018448 432345799 /nfs/dbraw/zinc/34/57/99/432345799.db2.gz DYZZAXQOQNRCHW-MSOLQXFVSA-N 2 1 301.478 3.072 10 0 DGAEMP Cc1cncc([C@@H](C)[NH2+]C2CCN(c3cccc(C)[nH+]3)CC2)c1 ZINC000184360442 432383624 /nfs/dbraw/zinc/38/36/24/432383624.db2.gz MZPHMAVQBLRLSV-MRXNPFEDSA-N 2 1 310.445 3.413 10 0 DGAEMP c1ccc2c(c1)C=C(C[N@@H+]1CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C1)CO2 ZINC000252802887 432388525 /nfs/dbraw/zinc/38/85/25/432388525.db2.gz VSLSTRYTGQUVFI-AZUAARDMSA-N 2 1 324.468 3.411 10 0 DGAEMP c1ccc2c(c1)C=C(C[N@H+]1CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C1)CO2 ZINC000252802887 432388528 /nfs/dbraw/zinc/38/85/28/432388528.db2.gz VSLSTRYTGQUVFI-AZUAARDMSA-N 2 1 324.468 3.411 10 0 DGAEMP c1ccc2c(c1)C=C(C[NH+]1CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C1)CO2 ZINC000252802887 432388533 /nfs/dbraw/zinc/38/85/33/432388533.db2.gz VSLSTRYTGQUVFI-AZUAARDMSA-N 2 1 324.468 3.411 10 0 DGAEMP c1ccc2c(c1)C=C(C[NH+]1CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C1)CO2 ZINC000252802887 432388536 /nfs/dbraw/zinc/38/85/36/432388536.db2.gz VSLSTRYTGQUVFI-AZUAARDMSA-N 2 1 324.468 3.411 10 0 DGAEMP C[C@@H]1C[C@H](NC[C@@]2(C)CCC[NH+]2Cc2ccccc2)CC[N@H+]1C ZINC000249778983 432358330 /nfs/dbraw/zinc/35/83/30/432358330.db2.gz CRIIPUGUZWVNBL-MISYRCLQSA-N 2 1 315.505 3.113 10 0 DGAEMP C[C@@H]1C[C@H](NC[C@@]2(C)CCC[N@@H+]2Cc2ccccc2)CC[NH+]1C ZINC000249778983 432358334 /nfs/dbraw/zinc/35/83/34/432358334.db2.gz CRIIPUGUZWVNBL-MISYRCLQSA-N 2 1 315.505 3.113 10 0 DGAEMP C[C@@H]1C[C@H](NC[C@@]2(C)CCC[N@H+]2Cc2ccccc2)CC[NH+]1C ZINC000249778983 432358337 /nfs/dbraw/zinc/35/83/37/432358337.db2.gz CRIIPUGUZWVNBL-MISYRCLQSA-N 2 1 315.505 3.113 10 0 DGAEMP Clc1ccc2[nH]c([C@H]3CCC[N@H+]3CC3CC[NH2+]CC3)nc2c1 ZINC000261825318 432453375 /nfs/dbraw/zinc/45/33/75/432453375.db2.gz IQUUTJUEPBKFPF-MRXNPFEDSA-N 2 1 318.852 3.353 10 0 DGAEMP Clc1ccc2nc([C@H]3CCC[N@@H+]3CC3CC[NH2+]CC3)[nH]c2c1 ZINC000261825318 432453379 /nfs/dbraw/zinc/45/33/79/432453379.db2.gz IQUUTJUEPBKFPF-MRXNPFEDSA-N 2 1 318.852 3.353 10 0 DGAEMP Clc1ccc2nc([C@H]3CCC[N@H+]3CC3CC[NH2+]CC3)[nH]c2c1 ZINC000261825318 432453381 /nfs/dbraw/zinc/45/33/81/432453381.db2.gz IQUUTJUEPBKFPF-MRXNPFEDSA-N 2 1 318.852 3.353 10 0 DGAEMP C[NH2+]C1CC[NH+]([C@@H](C)c2ccc(OC(F)(F)F)cc2)CC1 ZINC000261807938 432453431 /nfs/dbraw/zinc/45/34/31/432453431.db2.gz ZJVZDVIHNFBQSK-NSHDSACASA-N 2 1 302.340 3.330 10 0 DGAEMP COc1cc(OC)c([C@H](C)NC[C@@H]2CCC[N@H+]2C)cc1Cl ZINC000154622995 432511168 /nfs/dbraw/zinc/51/11/68/432511168.db2.gz NIVXKICPAQTGPN-RYUDHWBXSA-N 2 1 312.841 3.102 10 0 DGAEMP CCn1c(C[NH+]2CCC(CC[NH2+]C)CC2)nc2cc(F)ccc21 ZINC000262007088 432467561 /nfs/dbraw/zinc/46/75/61/432467561.db2.gz RVJQUJDEUZPVFO-UHFFFAOYSA-N 2 1 318.440 3.017 10 0 DGAEMP C[C@H]1C[C@H](N(C)Cc2ncc(-c3cccc(F)c3)o2)CC[N@H+]1C ZINC000177688411 432650917 /nfs/dbraw/zinc/65/09/17/432650917.db2.gz YXCBOSXQZCBZFU-XJKSGUPXSA-N 2 1 317.408 3.395 10 0 DGAEMP CCC[C@@H]([NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1)c1ccccn1 ZINC000159177518 432675081 /nfs/dbraw/zinc/67/50/81/432675081.db2.gz WBWFLNFRGHCAOD-VQIMIIECSA-N 2 1 317.477 3.013 10 0 DGAEMP COC[C@H](C)C[NH2+]Cc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000187666498 432676107 /nfs/dbraw/zinc/67/61/07/432676107.db2.gz DQJFIFDCTUGLLS-IAGOWNOFSA-N 2 1 304.478 3.433 10 0 DGAEMP COC[C@H](C)C[NH2+]Cc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000187669547 432676975 /nfs/dbraw/zinc/67/69/75/432676975.db2.gz PIBNTLGZXLLCAL-SJORKVTESA-N 2 1 304.478 3.433 10 0 DGAEMP Cc1ccc(C[NH+](C)CCOCC[N@H+](C)Cc2ccc(C)o2)o1 ZINC000178591212 432755399 /nfs/dbraw/zinc/75/53/99/432755399.db2.gz RYEYSUJWGONYPA-UHFFFAOYSA-N 2 1 320.433 3.070 10 0 DGAEMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(OC(F)F)cc2)[C@@H](C)C1 ZINC000245446036 432831356 /nfs/dbraw/zinc/83/13/56/432831356.db2.gz ZLBRVGLTYJQPHZ-XJKSGUPXSA-N 2 1 312.404 3.450 10 0 DGAEMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(OC(F)F)cc2)[C@@H](C)C1 ZINC000245446036 432831359 /nfs/dbraw/zinc/83/13/59/432831359.db2.gz ZLBRVGLTYJQPHZ-XJKSGUPXSA-N 2 1 312.404 3.450 10 0 DGAEMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(OC(F)F)cc2)[C@@H](C)C1 ZINC000245446036 432831362 /nfs/dbraw/zinc/83/13/62/432831362.db2.gz ZLBRVGLTYJQPHZ-XJKSGUPXSA-N 2 1 312.404 3.450 10 0 DGAEMP O[C@H](C[C@@H]1CCC[N@H+]1CCC[NH+]1CCCC1)c1ccccc1 ZINC000163181775 432845129 /nfs/dbraw/zinc/84/51/29/432845129.db2.gz CHZJHBVMIZFTCH-RBUKOAKNSA-N 2 1 302.462 3.060 10 0 DGAEMP O[C@@H](C[C@@H]1CCC[N@H+]1CCC[NH+]1CCCC1)c1ccccc1 ZINC000163181881 432845593 /nfs/dbraw/zinc/84/55/93/432845593.db2.gz CHZJHBVMIZFTCH-OALUTQOASA-N 2 1 302.462 3.060 10 0 DGAEMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@H]1CCCC[C@@H]1O ZINC000453351871 433113831 /nfs/dbraw/zinc/11/38/31/433113831.db2.gz MSFVDWLQOADVFS-AFYVEPGGSA-N 2 1 316.489 3.038 10 0 DGAEMP CO[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000361456009 433183247 /nfs/dbraw/zinc/18/32/47/433183247.db2.gz HFIIUECUOKBNCX-QXCFHYIPSA-N 2 1 302.462 3.197 10 0 DGAEMP CO[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000361456009 433183255 /nfs/dbraw/zinc/18/32/55/433183255.db2.gz HFIIUECUOKBNCX-QXCFHYIPSA-N 2 1 302.462 3.197 10 0 DGAEMP c1ccc(CCOCCC[N@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)cc1 ZINC000420381903 433192536 /nfs/dbraw/zinc/19/25/36/433192536.db2.gz CWZMYTYDTDBPQF-PMACEKPBSA-N 2 1 316.489 3.100 10 0 DGAEMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@]1(C)CCCO1 ZINC000362011622 433491019 /nfs/dbraw/zinc/49/10/19/433491019.db2.gz FRVLVSKOPHCIPD-NZSAHSFTSA-N 2 1 302.462 3.056 10 0 DGAEMP CO[C@H]1CCC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000370802091 293191171 /nfs/dbraw/zinc/19/11/71/293191171.db2.gz ASDMFLNBZLUKPS-HLKUOHOZSA-N 2 1 314.473 3.339 10 0 DGAEMP c1ccc2c(c1)cccc2OCCC[NH+]1CCC2(CC[NH2+]2)CC1 ZINC000422631654 433937035 /nfs/dbraw/zinc/93/70/35/433937035.db2.gz FUEJKKCEXWCMEU-UHFFFAOYSA-N 2 1 310.441 3.437 10 0 DGAEMP C[C@@H]1C[C@@H]([NH2+][C@@H]2COCC2(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000313130038 434123434 /nfs/dbraw/zinc/12/34/34/434123434.db2.gz YAZIGRIPSSCVBH-BPQIPLTHSA-N 2 1 302.462 3.054 10 0 DGAEMP C[C@@H]1C[C@@H]([NH2+][C@@H]2COCC2(C)C)CC[N@H+]1Cc1ccccc1 ZINC000313130038 434123443 /nfs/dbraw/zinc/12/34/43/434123443.db2.gz YAZIGRIPSSCVBH-BPQIPLTHSA-N 2 1 302.462 3.054 10 0 DGAEMP C[C@@H](C[NH2+][C@H]1CCc2sc(Br)cc21)C[NH+](C)C ZINC000383457578 434287786 /nfs/dbraw/zinc/28/77/86/434287786.db2.gz IJATTWBLVMWPLH-ONGXEEELSA-N 2 1 317.296 3.285 10 0 DGAEMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1N[C@@H]1CCC[NH2+]CC1 ZINC000390575584 434362895 /nfs/dbraw/zinc/36/28/95/434362895.db2.gz CYUUMXRPURXKOO-RTBURBONSA-N 2 1 315.505 3.019 10 0 DGAEMP CC1(C)CN(Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000390575584 434362904 /nfs/dbraw/zinc/36/29/04/434362904.db2.gz CYUUMXRPURXKOO-RTBURBONSA-N 2 1 315.505 3.019 10 0 DGAEMP COC[C@H](N[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C)c1ccccc1 ZINC000389868534 434350787 /nfs/dbraw/zinc/35/07/87/434350787.db2.gz NKWJXMDXFGGNRA-YYWHXJBOSA-N 2 1 324.468 3.484 10 0 DGAEMP COC[C@H](N[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C)c1ccccc1 ZINC000389868534 434350792 /nfs/dbraw/zinc/35/07/92/434350792.db2.gz NKWJXMDXFGGNRA-YYWHXJBOSA-N 2 1 324.468 3.484 10 0 DGAEMP CC[C@H](O)CCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000358169470 434360657 /nfs/dbraw/zinc/36/06/57/434360657.db2.gz PEUOMEZDPMTQGE-NEWSRXKRSA-N 2 1 304.478 3.038 10 0 DGAEMP CC[C@H](O)CCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000358169470 434360664 /nfs/dbraw/zinc/36/06/64/434360664.db2.gz PEUOMEZDPMTQGE-NEWSRXKRSA-N 2 1 304.478 3.038 10 0 DGAEMP CCC[C@H](C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)OC ZINC000398113861 434455549 /nfs/dbraw/zinc/45/55/49/434455549.db2.gz DYNODGJBMMPAAB-BHIYHBOVSA-N 2 1 304.478 3.302 10 0 DGAEMP Cc1[nH+]ccn1CCC[NH2+]Cc1ccsc1Br ZINC000527642622 295108508 /nfs/dbraw/zinc/10/85/08/295108508.db2.gz VORNBNGOUNFBHE-UHFFFAOYSA-N 2 1 314.252 3.195 10 0 DGAEMP CC(=O)c1ccc2c(c1)CC[NH+](CC[C@@H]1CCCC[N@H+]1C)CC2 ZINC000371045135 434636225 /nfs/dbraw/zinc/63/62/25/434636225.db2.gz TXZILRGGAZFMOS-FQEVSTJZSA-N 2 1 314.473 3.164 10 0 DGAEMP CC(=O)c1ccc2c(c1)CC[NH+](CC[C@@H]1CCCC[N@@H+]1C)CC2 ZINC000371045135 434636229 /nfs/dbraw/zinc/63/62/29/434636229.db2.gz TXZILRGGAZFMOS-FQEVSTJZSA-N 2 1 314.473 3.164 10 0 DGAEMP CC(=O)c1ccc2c(c1)CC[N@H+](CC[C@@H]1CCCC[NH+]1C)CC2 ZINC000371045135 434636238 /nfs/dbraw/zinc/63/62/38/434636238.db2.gz TXZILRGGAZFMOS-FQEVSTJZSA-N 2 1 314.473 3.164 10 0 DGAEMP CC(=O)c1ccc2c(c1)CC[N@@H+](CC[C@@H]1CCCC[NH+]1C)CC2 ZINC000371045135 434636244 /nfs/dbraw/zinc/63/62/44/434636244.db2.gz TXZILRGGAZFMOS-FQEVSTJZSA-N 2 1 314.473 3.164 10 0 DGAEMP C[C@@H]1CSC[C@@H]1[NH2+]C[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000449156497 297188288 /nfs/dbraw/zinc/18/82/88/297188288.db2.gz DPLSBSCMWLYVSL-HGTKMLMNSA-N 2 1 310.532 3.472 10 0 DGAEMP C[C@@H]1CSC[C@@H]1[NH2+]C[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000449156497 297188290 /nfs/dbraw/zinc/18/82/90/297188290.db2.gz DPLSBSCMWLYVSL-HGTKMLMNSA-N 2 1 310.532 3.472 10 0 DGAEMP Cc1ccc(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)cn1 ZINC000531715160 435113891 /nfs/dbraw/zinc/11/38/91/435113891.db2.gz REUYNYAZDRAAAQ-LAUBAEHRSA-N 2 1 323.484 3.433 10 0 DGAEMP Cc1ccc(CC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)cn1 ZINC000531715160 435113896 /nfs/dbraw/zinc/11/38/96/435113896.db2.gz REUYNYAZDRAAAQ-LAUBAEHRSA-N 2 1 323.484 3.433 10 0 DGAEMP C[N@H+]1CCCC[C@H]1CCN1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000472729012 435140046 /nfs/dbraw/zinc/14/00/46/435140046.db2.gz PWMDUYPNNJKSRU-PMACEKPBSA-N 2 1 321.553 3.449 10 0 DGAEMP C[C@@H]([NH2+]Cc1cc(Cl)ccc1Br)[C@@H]1CC[NH2+]C1 ZINC000569223330 435513783 /nfs/dbraw/zinc/51/37/83/435513783.db2.gz WABOBOBIQYSDPP-NXEZZACHSA-N 2 1 317.658 3.190 10 0 DGAEMP CO[C@H](C)[C@@H](C)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000519484743 435684329 /nfs/dbraw/zinc/68/43/29/435684329.db2.gz ZAHWOGQPEXNPIF-SIZVQLJJSA-N 2 1 302.462 3.195 10 0 DGAEMP Brc1c[nH+]ccc1N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000656608035 435982222 /nfs/dbraw/zinc/98/22/22/435982222.db2.gz GSUUSJQOESZEEV-ZDUSSCGKSA-N 2 1 324.266 3.060 10 0 DGAEMP Cn1c[nH+]cc1CC[NH2+][C@H]1CCCc2ncc(C(F)(F)F)cc21 ZINC000530513381 313379494 /nfs/dbraw/zinc/37/94/94/313379494.db2.gz RSVLXLRMFNNIAL-AWEZNQCLSA-N 2 1 324.350 3.044 10 0 DGAEMP CC1=CC[N@@H+](CCNC2CC[NH+]([C@H]3CCCC[C@@H]3C)CC2)CC1 ZINC000545161006 314229166 /nfs/dbraw/zinc/22/91/66/314229166.db2.gz JRUVZNYXUMBLLG-ICSRJNTNSA-N 2 1 319.537 3.271 10 0 DGAEMP CC1=CCN(CC[NH2+]C2CC[NH+]([C@H]3CCCC[C@@H]3C)CC2)CC1 ZINC000545161006 314229169 /nfs/dbraw/zinc/22/91/69/314229169.db2.gz JRUVZNYXUMBLLG-ICSRJNTNSA-N 2 1 319.537 3.271 10 0 DGAEMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc(C(=O)OC(C)(C)C)cc2)C1 ZINC000545199524 314232284 /nfs/dbraw/zinc/23/22/84/314232284.db2.gz SFZNBSAEGYFQDA-INIZCTEOSA-N 2 1 318.461 3.073 10 0 DGAEMP c1ccc(N[C@@H]2CCC[N@H+](Cc3ccc4c(c3)C[NH2+]CC4)C2)cc1 ZINC000563267948 315096308 /nfs/dbraw/zinc/09/63/08/315096308.db2.gz FKUIGXRVZVGJNG-OAQYLSRUSA-N 2 1 321.468 3.409 10 0 DGAEMP c1cc(OCC2CC2)ccc1C[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000564973847 315216308 /nfs/dbraw/zinc/21/63/08/315216308.db2.gz YFWSRPDZFQRPHT-LJQANCHMSA-N 2 1 300.446 3.051 10 0 DGAEMP c1cc(OCC2CC2)ccc1C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000564973847 315216311 /nfs/dbraw/zinc/21/63/11/315216311.db2.gz YFWSRPDZFQRPHT-LJQANCHMSA-N 2 1 300.446 3.051 10 0 DGAEMP c1ccc(N2CCC[N@H+](Cc3ccc4c(c3)C[NH2+]CC4)CC2)cc1 ZINC000565095877 315229593 /nfs/dbraw/zinc/22/95/93/315229593.db2.gz YCXOTIMDDMUEML-UHFFFAOYSA-N 2 1 321.468 3.045 10 0 DGAEMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccccc1CO ZINC000574857413 316007617 /nfs/dbraw/zinc/00/76/17/316007617.db2.gz KHCHHDGCEAVKSA-DYESRHJHSA-N 2 1 324.468 3.179 10 0 DGAEMP c1nc(-c2ccccc2)sc1C[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000581251394 324095753 /nfs/dbraw/zinc/09/57/53/324095753.db2.gz PNRYMVGEGGTHRX-SFHVURJKSA-N 2 1 313.470 3.386 10 0 DGAEMP c1nc(-c2ccccc2)sc1C[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000581251394 324095758 /nfs/dbraw/zinc/09/57/58/324095758.db2.gz PNRYMVGEGGTHRX-SFHVURJKSA-N 2 1 313.470 3.386 10 0 DGAEMP c1ccc(C[N@@H+]2CC[C@H]([NH2+][C@H]3CCCOCC3)CC23CC3)cc1 ZINC000584529270 337356508 /nfs/dbraw/zinc/35/65/08/337356508.db2.gz YOBWULFVZCPYET-OALUTQOASA-N 2 1 314.473 3.342 10 0 DGAEMP c1ccc(C[N@H+]2CC[C@H]([NH2+][C@H]3CCCOCC3)CC23CC3)cc1 ZINC000584529270 337356509 /nfs/dbraw/zinc/35/65/09/337356509.db2.gz YOBWULFVZCPYET-OALUTQOASA-N 2 1 314.473 3.342 10 0 DGAEMP C[N@@H+](Cc1ccco1)Cc1ccccc1C[NH2+][C@@H]1CCCOC1 ZINC000164514459 546087582 /nfs/dbraw/zinc/08/75/82/546087582.db2.gz POKAEEQWUCOYCI-GOSISDBHSA-N 2 1 314.429 3.180 10 0 DGAEMP O[C@@H](C[NH2+][C@H](c1cccs1)C1CCCC1)C[NH+]1CCCCC1 ZINC000179405332 546135679 /nfs/dbraw/zinc/13/56/79/546135679.db2.gz HAXSNAPPRPEHEY-WMZOPIPTSA-N 2 1 322.518 3.416 10 0 DGAEMP Fc1ccc(SCC[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)cc1 ZINC000252416597 546330729 /nfs/dbraw/zinc/33/07/29/546330729.db2.gz OMEZXNUIDRVPFG-RHSMWYFYSA-N 2 1 308.466 3.382 10 0 DGAEMP C[C@H]1C[C@@H]([NH2+]CC2CCC(O)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000379628623 546734977 /nfs/dbraw/zinc/73/49/77/546734977.db2.gz NUCDRHZRTOIHRK-YMPIPDKKSA-N 2 1 316.489 3.180 10 0 DGAEMP C[C@H]1C[C@@H]([NH2+]CC2CCC(O)CC2)CC[N@H+]1Cc1ccccc1 ZINC000379628623 546734983 /nfs/dbraw/zinc/73/49/83/546734983.db2.gz NUCDRHZRTOIHRK-YMPIPDKKSA-N 2 1 316.489 3.180 10 0 DGAEMP CC[NH+](CC)C[C@H](C)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000482511989 546911361 /nfs/dbraw/zinc/91/13/61/546911361.db2.gz QFHCLROTVYYDBN-CMKODMSKSA-N 2 1 317.521 3.217 10 0 DGAEMP C[C@@]12C[NH+](Cc3cccc(N)c3)C[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000702079600 660704147 /nfs/dbraw/zinc/70/41/47/660704147.db2.gz DQQVMJQMDXIXKA-PZJWPPBQSA-N 2 1 321.468 3.223 10 0 DGAEMP C[C@]12C[NH+](Cc3ccccc3)C[C@H]1C[N@H+](Cc1cccc(N)c1)C2 ZINC000702079600 660704150 /nfs/dbraw/zinc/70/41/50/660704150.db2.gz DQQVMJQMDXIXKA-PZJWPPBQSA-N 2 1 321.468 3.223 10 0 DGAEMP C[C@]12C[NH+](Cc3ccccc3)C[C@H]1C[N@@H+](Cc1cccc(N)c1)C2 ZINC000702079600 660704151 /nfs/dbraw/zinc/70/41/51/660704151.db2.gz DQQVMJQMDXIXKA-PZJWPPBQSA-N 2 1 321.468 3.223 10 0 DGAEMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@H]1CCCc2n[nH]cc21 ZINC000708541087 660924278 /nfs/dbraw/zinc/92/42/78/660924278.db2.gz HWIXSZRZXMDVAK-SUMDDJOVSA-N 2 1 324.472 3.145 10 0 DGAEMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]C1CCC(C)(O)CC1 ZINC000708561590 660924680 /nfs/dbraw/zinc/92/46/80/660924680.db2.gz UDADJSTUDBNEPL-FVPXHTFXSA-N 2 1 316.489 3.038 10 0 DGAEMP C[N@@H+](CCCCCC[NH3+])Cc1sccc1Br ZINC000710706047 660932473 /nfs/dbraw/zinc/93/24/73/660932473.db2.gz QJYVXUVLHIUTON-UHFFFAOYSA-N 2 1 305.285 3.462 10 0 DGAEMP c1cc(C[N@H+](CC[C@H]2CCOC2)[C@@H]2CC23CC[NH2+]CC3)cs1 ZINC000261999322 655745979 /nfs/dbraw/zinc/74/59/79/655745979.db2.gz TXNHYCNVRQRIIY-DOTOQJQBSA-N 2 1 320.502 3.119 10 0 DGAEMP C[C@]1(C[NH2+][C@@H]2CCCSC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000309709327 656043143 /nfs/dbraw/zinc/04/31/43/656043143.db2.gz IRXIJAFVCUTEAJ-QZTJIDSGSA-N 2 1 304.503 3.384 10 0 DGAEMP OCCCCCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716619572 661225019 /nfs/dbraw/zinc/22/50/19/661225019.db2.gz FHZOZBJHXZUDLO-UFYCRDLUSA-N 2 1 316.489 3.182 10 0 DGAEMP CC[C@H](CCO)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716620229 661225031 /nfs/dbraw/zinc/22/50/31/661225031.db2.gz MGFYMRKKQSBOBH-GTAWCEEGSA-N 2 1 316.489 3.038 10 0 DGAEMP CC[C@H](CCO)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716620231 661225149 /nfs/dbraw/zinc/22/51/49/661225149.db2.gz MGFYMRKKQSBOBH-MDNKFWRPSA-N 2 1 316.489 3.038 10 0 DGAEMP CC(C)(C)OCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716648975 661226006 /nfs/dbraw/zinc/22/60/06/661226006.db2.gz GUKLNKBUGMREGR-OTWHNJEPSA-N 2 1 316.489 3.444 10 0 DGAEMP CC[C@@H](COC)[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716674222 661226624 /nfs/dbraw/zinc/22/66/24/661226624.db2.gz VVUQRZOZJNCFHG-VJANTYMQSA-N 2 1 302.462 3.054 10 0 DGAEMP FC1(F)CC([NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)C1 ZINC000716710152 661227668 /nfs/dbraw/zinc/22/76/68/661227668.db2.gz WSHSZRZXAQMFAF-UXLLHSPISA-N 2 1 306.400 3.427 10 0 DGAEMP CO[C@H]1C[C@@H](C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)C1 ZINC000721895935 658758478 /nfs/dbraw/zinc/75/84/78/658758478.db2.gz BPKKRDFHAHVLPF-OTWHNJEPSA-N 2 1 316.489 3.302 10 0 DGAEMP CO[C@H]1C[C@@H](C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)C1 ZINC000721895935 658758479 /nfs/dbraw/zinc/75/84/79/658758479.db2.gz BPKKRDFHAHVLPF-OTWHNJEPSA-N 2 1 316.489 3.302 10 0 DGAEMP C[C@H]([NH2+][C@H]1CCCc2n[nH]cc21)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000353684456 660026841 /nfs/dbraw/zinc/02/68/41/660026841.db2.gz SIUDXZMRTSPRKA-WDYCEAGBSA-N 2 1 324.472 3.287 10 0 DGAEMP CO[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000390889325 685207181 /nfs/dbraw/zinc/20/71/81/685207181.db2.gz ZXNAVWACODZHOZ-IPMKNSEASA-N 2 1 316.489 3.444 10 0 DGAEMP CO[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000390889325 685207184 /nfs/dbraw/zinc/20/71/84/685207184.db2.gz ZXNAVWACODZHOZ-IPMKNSEASA-N 2 1 316.489 3.444 10 0 DGAEMP CC(C)[NH+]1CCN(CCC[N@@H+](C)[C@H](C)Cc2ccsc2)CC1 ZINC000192752369 1201258381 /nfs/dbraw/zinc/25/83/81/1201258381.db2.gz FPXFQPATYONDDS-QGZVFWFLSA-N 2 1 323.550 3.027 10 0 DGAEMP Fc1ccc2nc([C@H]3CCC[N@@H+](C[C@@H]4CCC[NH2+]C4)C3)oc2c1 ZINC000262050297 1204303849 /nfs/dbraw/zinc/30/38/49/1204303849.db2.gz ZNWVWSBVZMTOFR-KGLIPLIRSA-N 2 1 317.408 3.146 10 0 DGAEMP COc1ccc(C[N@@H+]2CC[C@H](CNc3cccc(C)[nH+]3)C2)cc1 ZINC000092813230 185343265 /nfs/dbraw/zinc/34/32/65/185343265.db2.gz WPVBXCNHHAQXIX-QGZVFWFLSA-N 2 1 311.429 3.333 10 0 DGAEMP COc1ccc(C[N@H+]2CC[C@H](CNc3cccc(C)[nH+]3)C2)cc1 ZINC000092813230 185343266 /nfs/dbraw/zinc/34/32/66/185343266.db2.gz WPVBXCNHHAQXIX-QGZVFWFLSA-N 2 1 311.429 3.333 10 0 DGAEMP C[C@@H]1C[C@@H]([NH2+]CCc2coc(-c3ccc(F)cc3)n2)CC[N@H+]1C ZINC000179454938 199038162 /nfs/dbraw/zinc/03/81/62/199038162.db2.gz NOVYGLISCXYFGQ-CJNGLKHVSA-N 2 1 317.408 3.096 10 0 DGAEMP C[C@H]1C[N@@H+](C2CCN(CCc3ccccc3Cl)CC2)CCO1 ZINC000170928337 432087572 /nfs/dbraw/zinc/08/75/72/432087572.db2.gz ARGZZIKRAUSQOB-HNNXBMFYSA-N 2 1 322.880 3.068 10 0 DGAEMP C[C@H]1C[N@H+](C2CCN(CCc3ccccc3Cl)CC2)CCO1 ZINC000170928337 432087574 /nfs/dbraw/zinc/08/75/74/432087574.db2.gz ARGZZIKRAUSQOB-HNNXBMFYSA-N 2 1 322.880 3.068 10 0 DGAEMP C[N@@H+](Cc1cccnc1)C[C@@H]1CC[NH+](CCC2CCCC2)C1 ZINC000195299498 201375649 /nfs/dbraw/zinc/37/56/49/201375649.db2.gz MCLAMEAKUDSNCJ-IBGZPJMESA-N 2 1 301.478 3.416 10 0 DGAEMP C[N@H+](Cc1cccnc1)C[C@@H]1CC[NH+](CCC2CCCC2)C1 ZINC000195299498 201375652 /nfs/dbraw/zinc/37/56/52/201375652.db2.gz MCLAMEAKUDSNCJ-IBGZPJMESA-N 2 1 301.478 3.416 10 0 DGAEMP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@H+](CCC2CCCC2)C1 ZINC000195299498 201375653 /nfs/dbraw/zinc/37/56/53/201375653.db2.gz MCLAMEAKUDSNCJ-IBGZPJMESA-N 2 1 301.478 3.416 10 0 DGAEMP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@@H+](CCC2CCCC2)C1 ZINC000195299498 201375655 /nfs/dbraw/zinc/37/56/55/201375655.db2.gz MCLAMEAKUDSNCJ-IBGZPJMESA-N 2 1 301.478 3.416 10 0 DGAEMP C[C@@H]1C[C@@H](N(C)Cc2ncc(-c3ccc(F)cc3)o2)CC[N@H+]1C ZINC000123596386 284241424 /nfs/dbraw/zinc/24/14/24/284241424.db2.gz FXHLTIPHBHMRHV-CJNGLKHVSA-N 2 1 317.408 3.395 10 0 DGAEMP C[C@H]1C[C@H](N(C)Cc2ncc(-c3ccc(F)cc3)o2)CC[N@H+]1C ZINC000123596142 284241445 /nfs/dbraw/zinc/24/14/45/284241445.db2.gz FXHLTIPHBHMRHV-XJKSGUPXSA-N 2 1 317.408 3.395 10 0 DGAEMP COCC1(C[NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CCC1 ZINC000282941716 217340943 /nfs/dbraw/zinc/34/09/43/217340943.db2.gz YWNHNIXJYFZEPV-HKUYNNGSSA-N 2 1 316.489 3.303 10 0 DGAEMP CC[C@@H]([NH3+])[C@@H](c1cccc(Br)c1)n1cc[nH+]c1C ZINC000043022064 183329491 /nfs/dbraw/zinc/32/94/91/183329491.db2.gz KDQJLYSNYXAIEW-ZIAGYGMSSA-N 2 1 308.223 3.281 10 0 DGAEMP CC[C@@H]([NH3+])[C@H](c1ccccc1Br)n1cc[nH+]c1C ZINC000043093692 183336744 /nfs/dbraw/zinc/33/67/44/183336744.db2.gz OKGJRGDIFNOQIE-KGLIPLIRSA-N 2 1 308.223 3.281 10 0 DGAEMP CC[N@H+]1CC[C@H]([NH+](C)CCCc2ccc3c(c2)CCO3)[C@@H](C)C1 ZINC000248662789 285016347 /nfs/dbraw/zinc/01/63/47/285016347.db2.gz HIBGJUFSPLGYIF-LPHOPBHVSA-N 2 1 316.489 3.216 10 0 DGAEMP CC[NH+]1CC[C@H]([N@H+](C)CCCc2ccc3c(c2)CCO3)[C@@H](C)C1 ZINC000248662789 285016350 /nfs/dbraw/zinc/01/63/50/285016350.db2.gz HIBGJUFSPLGYIF-LPHOPBHVSA-N 2 1 316.489 3.216 10 0 DGAEMP CC[NH+]1CC[C@H]([N@@H+](C)CCCc2ccc3c(c2)CCO3)[C@@H](C)C1 ZINC000248662789 285016353 /nfs/dbraw/zinc/01/63/53/285016353.db2.gz HIBGJUFSPLGYIF-LPHOPBHVSA-N 2 1 316.489 3.216 10 0 DGAEMP c1ccc([C@@H]2CC[C@H](C[NH2+][C@H]3CC[N@H+]4CCC[C@H]4C3)O2)cc1 ZINC000344032689 254216320 /nfs/dbraw/zinc/21/63/20/254216320.db2.gz HYGCPDAWXKRZAD-OKYOBFRVSA-N 2 1 300.446 3.123 10 0 DGAEMP C[N@@H+](Cc1ccc2ccccc2n1)C[C@H]1CCc2[nH+]ccn2C1 ZINC000328634624 400184011 /nfs/dbraw/zinc/18/40/11/400184011.db2.gz MUJVNEALEHRYLQ-OAHLLOKOSA-N 2 1 306.413 3.126 10 0 DGAEMP C[N@H+](Cc1ccc2ccccc2n1)C[C@H]1CCc2[nH+]ccn2C1 ZINC000328634624 400184013 /nfs/dbraw/zinc/18/40/13/400184013.db2.gz MUJVNEALEHRYLQ-OAHLLOKOSA-N 2 1 306.413 3.126 10 0 DGAEMP C[N@H+]1C[C@@H]2C[NH+](Cc3ccccc3)[C@@H](Cc3ccccc3)[C@H]2C1 ZINC000409431352 400301019 /nfs/dbraw/zinc/30/10/19/400301019.db2.gz PNYXJCVPSYNSDZ-HKBOAZHASA-N 2 1 306.453 3.291 10 0 DGAEMP C[NH+]1C[C@@H]2C[N@H+](Cc3ccccc3)[C@@H](Cc3ccccc3)[C@H]2C1 ZINC000409431352 400301026 /nfs/dbraw/zinc/30/10/26/400301026.db2.gz PNYXJCVPSYNSDZ-HKBOAZHASA-N 2 1 306.453 3.291 10 0 DGAEMP C[NH+]1C[C@@H]2C[N@@H+](Cc3ccccc3)[C@@H](Cc3ccccc3)[C@H]2C1 ZINC000409431352 400301030 /nfs/dbraw/zinc/30/10/30/400301030.db2.gz PNYXJCVPSYNSDZ-HKBOAZHASA-N 2 1 306.453 3.291 10 0 DGAEMP COc1ccc([C@@H]2[C@@H]3C[N@H+](C)C[C@@H]3C[NH+]2Cc2ccccc2)cc1 ZINC000409430803 400301538 /nfs/dbraw/zinc/30/15/38/400301538.db2.gz NGGDENQKQQBPEO-HMXCVIKNSA-N 2 1 322.452 3.430 10 0 DGAEMP COc1ccc([C@@H]2[C@@H]3C[N@@H+](C)C[C@@H]3C[NH+]2Cc2ccccc2)cc1 ZINC000409430803 400301542 /nfs/dbraw/zinc/30/15/42/400301542.db2.gz NGGDENQKQQBPEO-HMXCVIKNSA-N 2 1 322.452 3.430 10 0 DGAEMP COc1ccc([C@@H]2[C@@H]3C[NH+](C)C[C@@H]3C[N@@H+]2Cc2ccccc2)cc1 ZINC000409430803 400301546 /nfs/dbraw/zinc/30/15/46/400301546.db2.gz NGGDENQKQQBPEO-HMXCVIKNSA-N 2 1 322.452 3.430 10 0 DGAEMP COc1ccc([C@@H]2[C@@H]3C[NH+](C)C[C@@H]3C[N@H+]2Cc2ccccc2)cc1 ZINC000409430803 400301548 /nfs/dbraw/zinc/30/15/48/400301548.db2.gz NGGDENQKQQBPEO-HMXCVIKNSA-N 2 1 322.452 3.430 10 0 DGAEMP Cc1cccc(NC[C@@H]2CC[N@@H+](CCOCCC(C)C)C2)[nH+]1 ZINC000151112310 400669293 /nfs/dbraw/zinc/66/92/93/400669293.db2.gz BYUNXIKMLUAHPE-KRWDZBQOSA-N 2 1 305.466 3.187 10 0 DGAEMP Cc1cccc(NC[C@@H]2CC[N@H+](CCOCCC(C)C)C2)[nH+]1 ZINC000151112310 400669297 /nfs/dbraw/zinc/66/92/97/400669297.db2.gz BYUNXIKMLUAHPE-KRWDZBQOSA-N 2 1 305.466 3.187 10 0 DGAEMP Cc1cc(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)ccn1 ZINC000631194435 401423062 /nfs/dbraw/zinc/42/30/62/401423062.db2.gz LAMDUNWEKMEKQS-OXQOHEQNSA-N 2 1 309.457 3.248 10 0 DGAEMP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)[C@@H]1CCCCO1 ZINC000623902127 401597062 /nfs/dbraw/zinc/59/70/62/401597062.db2.gz BBFHBSSYCGWSOI-UMGGQSCQSA-N 2 1 316.489 3.444 10 0 DGAEMP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)[C@@H]1CCCCO1 ZINC000623902127 401597064 /nfs/dbraw/zinc/59/70/64/401597064.db2.gz BBFHBSSYCGWSOI-UMGGQSCQSA-N 2 1 316.489 3.444 10 0 DGAEMP COCC(C)(C)C[NH2+]C[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000494100678 292197328 /nfs/dbraw/zinc/19/73/28/292197328.db2.gz YOXQJBYQTSTFSC-GOEBONIOSA-N 2 1 310.507 3.393 10 0 DGAEMP COCC(C)(C)C[NH2+]C[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000494100678 292197331 /nfs/dbraw/zinc/19/73/31/292197331.db2.gz YOXQJBYQTSTFSC-GOEBONIOSA-N 2 1 310.507 3.393 10 0 DGAEMP COCCC1(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)CCCCC1 ZINC000187468682 165091924 /nfs/dbraw/zinc/09/19/24/165091924.db2.gz OLQXXOILIUYQSS-ROUUACIJSA-N 2 1 308.510 3.390 10 0 DGAEMP COCCC1(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)CCCCC1 ZINC000187468682 165091926 /nfs/dbraw/zinc/09/19/26/165091926.db2.gz OLQXXOILIUYQSS-ROUUACIJSA-N 2 1 308.510 3.390 10 0 DGAEMP COCCC1(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)CCCCC1 ZINC000187468682 165091927 /nfs/dbraw/zinc/09/19/27/165091927.db2.gz OLQXXOILIUYQSS-ROUUACIJSA-N 2 1 308.510 3.390 10 0 DGAEMP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12)[C@H]1CCCO1 ZINC000248416526 165621535 /nfs/dbraw/zinc/62/15/35/165621535.db2.gz PSSAQIHKJIJKSL-CJSSEVFESA-N 2 1 314.473 3.054 10 0 DGAEMP Cc1ccc2nc(CN3CC[C@H]4[C@@H](CCC[N@H+]4C4CC4)C3)cn2c1 ZINC000246935658 432183459 /nfs/dbraw/zinc/18/34/59/432183459.db2.gz TYBIRAAKECIRNQ-LPHOPBHVSA-N 2 1 324.472 3.091 10 0 DGAEMP COc1ccccc1CCC[N@@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000182536873 432201592 /nfs/dbraw/zinc/20/15/92/432201592.db2.gz PHFLJMYQJFGQTC-GOSISDBHSA-N 2 1 313.445 3.297 10 0 DGAEMP COc1ccccc1CCC[N@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000182536873 432201595 /nfs/dbraw/zinc/20/15/95/432201595.db2.gz PHFLJMYQJFGQTC-GOSISDBHSA-N 2 1 313.445 3.297 10 0 DGAEMP CC[N@H+]1CC[C@@H]([NH+](C)CCCCCn2cc(C)cn2)[C@@H](C)C1 ZINC000247334732 432222769 /nfs/dbraw/zinc/22/27/69/432222769.db2.gz ZCBYTDIZKWXALV-ZWKOTPCHSA-N 2 1 306.498 3.024 10 0 DGAEMP CC[NH+]1CC[C@@H]([N@H+](C)CCCCCn2cc(C)cn2)[C@@H](C)C1 ZINC000247334732 432222775 /nfs/dbraw/zinc/22/27/75/432222775.db2.gz ZCBYTDIZKWXALV-ZWKOTPCHSA-N 2 1 306.498 3.024 10 0 DGAEMP CC[NH+]1CC[C@@H]([N@@H+](C)CCCCCn2cc(C)cn2)[C@@H](C)C1 ZINC000247334732 432222776 /nfs/dbraw/zinc/22/27/76/432222776.db2.gz ZCBYTDIZKWXALV-ZWKOTPCHSA-N 2 1 306.498 3.024 10 0 DGAEMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2[C@H]3CCCO[C@H]3C2(C)C)c1 ZINC000245845534 276075954 /nfs/dbraw/zinc/07/59/54/276075954.db2.gz FKGSHDAQIYVDJJ-GUDVDZBRSA-N 2 1 316.489 3.432 10 0 DGAEMP CCOc1ccccc1OCC[N@@H+](C)[C@H]1CC[NH+](CC)C[C@H]1C ZINC000079461095 431724479 /nfs/dbraw/zinc/72/44/79/431724479.db2.gz KSKQTFXQIXPDMI-SJORKVTESA-N 2 1 320.477 3.126 10 0 DGAEMP CCOc1ccccc1OCC[NH+](C)[C@H]1CC[N@H+](CC)C[C@H]1C ZINC000079461095 431724485 /nfs/dbraw/zinc/72/44/85/431724485.db2.gz KSKQTFXQIXPDMI-SJORKVTESA-N 2 1 320.477 3.126 10 0 DGAEMP CCOc1ccccc1OCC[NH+](C)[C@H]1CC[N@@H+](CC)C[C@H]1C ZINC000079461095 431724491 /nfs/dbraw/zinc/72/44/91/431724491.db2.gz KSKQTFXQIXPDMI-SJORKVTESA-N 2 1 320.477 3.126 10 0 DGAEMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(-n3ccnc3)cc2)[C@H](C)C1 ZINC000081096665 431782672 /nfs/dbraw/zinc/78/26/72/431782672.db2.gz YUJHUFMVBWUZGB-VQIMIIECSA-N 2 1 312.461 3.034 10 0 DGAEMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(-n3ccnc3)cc2)[C@H](C)C1 ZINC000081096665 431782680 /nfs/dbraw/zinc/78/26/80/431782680.db2.gz YUJHUFMVBWUZGB-VQIMIIECSA-N 2 1 312.461 3.034 10 0 DGAEMP CCN1CC[C@@H]([N@@H+](C)Cc2ccc(-n3ccnc3)cc2)[C@H](C)C1 ZINC000081096665 431782700 /nfs/dbraw/zinc/78/27/00/431782700.db2.gz YUJHUFMVBWUZGB-VQIMIIECSA-N 3 1 312.461 3.034 10 0 DGAEMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cccc(OC(F)F)c2)[C@H](C)C1 ZINC000081095035 431783304 /nfs/dbraw/zinc/78/33/04/431783304.db2.gz OTFUGJJMGUYUBN-CJNGLKHVSA-N 2 1 312.404 3.450 10 0 DGAEMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cccc(OC(F)F)c2)[C@H](C)C1 ZINC000081095035 431783307 /nfs/dbraw/zinc/78/33/07/431783307.db2.gz OTFUGJJMGUYUBN-CJNGLKHVSA-N 2 1 312.404 3.450 10 0 DGAEMP CC(C)c1ccccc1NC(=O)CN(C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000123029310 431852805 /nfs/dbraw/zinc/85/28/05/431852805.db2.gz WUVGIYAWCOVDOL-JKSUJKDBSA-N 2 1 317.477 3.163 10 0 DGAEMP Cc1ccc(Cl)cc1NC(=O)CN(C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000123078597 431853921 /nfs/dbraw/zinc/85/39/21/431853921.db2.gz FTZYIOKZBZQHEX-HIFRSBDPSA-N 2 1 323.868 3.001 10 0 DGAEMP CC[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)c1cccc(Cl)c1 ZINC000173345768 432273737 /nfs/dbraw/zinc/27/37/37/432273737.db2.gz CFBQPKNWXKLXHM-IAGOWNOFSA-N 2 1 310.869 3.228 10 0 DGAEMP CC(C)(C)[C@@H]1CCCC[C@H]1[NH2+]CCCC[N@H+]1CCC[C@H]1CO ZINC000248185642 432274707 /nfs/dbraw/zinc/27/47/07/432274707.db2.gz XGVDIWQUKBBXCF-RCCFBDPRSA-N 2 1 310.526 3.418 10 0 DGAEMP Cc1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CC[N@H+](C3CC3)C1)CCCO2 ZINC000152433860 432332631 /nfs/dbraw/zinc/33/26/31/432332631.db2.gz SVWMZNAMPJXMIT-QAPCUYQASA-N 2 1 300.446 3.283 10 0 DGAEMP O[C@@H](CNc1cc[nH+]c2cc(Cl)ccc12)C[NH+]1CCCCC1 ZINC000174684843 432364618 /nfs/dbraw/zinc/36/46/18/432364618.db2.gz GAHODKFDGVSBGX-AWEZNQCLSA-N 2 1 319.836 3.147 10 0 DGAEMP CC[N@H+]1CC[C@@H](N(C)Cc2cn3cc(Cl)ccc3n2)[C@H](C)C1 ZINC000175717153 432459078 /nfs/dbraw/zinc/45/90/78/432459078.db2.gz NWSJHQPZHGEWLB-CZUORRHYSA-N 2 1 320.868 3.150 10 0 DGAEMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@@H](C)c2ccnn2C)cc1 ZINC000192944073 432432632 /nfs/dbraw/zinc/43/26/32/432432632.db2.gz RUSXEBZCZGJCKK-KGLIPLIRSA-N 2 1 309.417 3.326 10 0 DGAEMP CCOc1ccc(C[N@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)cc1 ZINC000261637673 432436613 /nfs/dbraw/zinc/43/66/13/432436613.db2.gz DJWXUXIUEHBNJJ-QUCCMNQESA-N 2 1 310.441 3.260 10 0 DGAEMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1cn[nH]c1 ZINC000271532741 432416859 /nfs/dbraw/zinc/41/68/59/432416859.db2.gz PSUSFPOGVZKLOI-AQXGTKIOSA-N 2 1 310.445 3.256 10 0 DGAEMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1cn[nH]c1 ZINC000271532741 432416862 /nfs/dbraw/zinc/41/68/62/432416862.db2.gz PSUSFPOGVZKLOI-AQXGTKIOSA-N 2 1 310.445 3.256 10 0 DGAEMP Cc1ncsc1C[N@@H+](C)C[C@@H]1CCN(c2cc[nH+]cc2C)C1 ZINC000192822993 432419078 /nfs/dbraw/zinc/41/90/78/432419078.db2.gz UAVXMAJUQDLWCK-HNNXBMFYSA-N 2 1 316.474 3.113 10 0 DGAEMP COc1cc([C@@H](C)[NH2+]C[C@@H](C)Cn2cc[nH+]c2C)ccc1F ZINC000153586578 432422916 /nfs/dbraw/zinc/42/29/16/432422916.db2.gz WLALBZIUCJBWPL-CHWSQXEVSA-N 2 1 305.397 3.326 10 0 DGAEMP Cc1cccc2[nH]cc(CC[NH2+]Cc3c[nH+]ccc3N(C)C)c21 ZINC000185182749 432474421 /nfs/dbraw/zinc/47/44/21/432474421.db2.gz XANXGBKFQHVIPC-UHFFFAOYSA-N 2 1 308.429 3.270 10 0 DGAEMP c1c2ccccc2sc1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1 ZINC000261920623 432460131 /nfs/dbraw/zinc/46/01/31/432460131.db2.gz KFTYZSFJUFXXCY-BBWFWOEESA-N 2 1 316.470 3.148 10 0 DGAEMP C[N@H+](Cc1ccc(Br)c(F)c1)C[C@@]1(C)CC[NH2+]C1 ZINC000261927883 432462063 /nfs/dbraw/zinc/46/20/63/432462063.db2.gz CIWRJGPQQFVAPR-AWEZNQCLSA-N 2 1 315.230 3.020 10 0 DGAEMP C[N@@H+](Cc1ccc(Br)c(F)c1)C[C@@]1(C)CC[NH2+]C1 ZINC000261927883 432462066 /nfs/dbraw/zinc/46/20/66/432462066.db2.gz CIWRJGPQQFVAPR-AWEZNQCLSA-N 2 1 315.230 3.020 10 0 DGAEMP Fc1cccc(Cl)c1C[C@H]1CCC[N@@H+]1C[C@H]1CCC[NH2+]C1 ZINC000262033392 432469443 /nfs/dbraw/zinc/46/94/43/432469443.db2.gz XKFZPPRTPRTVPE-UONOGXRCSA-N 2 1 310.844 3.486 10 0 DGAEMP Fc1cccc(Cl)c1C[C@H]1CCC[N@H+]1C[C@H]1CCC[NH2+]C1 ZINC000262033392 432469445 /nfs/dbraw/zinc/46/94/45/432469445.db2.gz XKFZPPRTPRTVPE-UONOGXRCSA-N 2 1 310.844 3.486 10 0 DGAEMP COC[C@H](C)C[NH2+]Cc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000187669533 432675835 /nfs/dbraw/zinc/67/58/35/432675835.db2.gz PIBNTLGZXLLCAL-IAGOWNOFSA-N 2 1 304.478 3.433 10 0 DGAEMP Cc1nccn1C[C@@H]1CCC[N@H+]1Cc1nc2ccccc2s1 ZINC000178748989 432773120 /nfs/dbraw/zinc/77/31/20/432773120.db2.gz RULQFVWMVUGWOT-AWEZNQCLSA-N 2 1 312.442 3.466 10 0 DGAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1nc2ccccc2s1 ZINC000178748989 432773132 /nfs/dbraw/zinc/77/31/32/432773132.db2.gz RULQFVWMVUGWOT-AWEZNQCLSA-N 2 1 312.442 3.466 10 0 DGAEMP [NH3+]CC[C@H]1CCC[N@@H+](Cc2ccc(Br)c(F)c2)C1 ZINC000161497869 432782752 /nfs/dbraw/zinc/78/27/52/432782752.db2.gz ZICLLZNXRLNHIQ-LLVKDONJSA-N 2 1 315.230 3.149 10 0 DGAEMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1cnc(CC(C)C)s1 ZINC000178788861 432777957 /nfs/dbraw/zinc/77/79/57/432777957.db2.gz CXOBBMBBFIVMDA-CYBMUJFWSA-N 2 1 306.479 3.272 10 0 DGAEMP CC[C@@H](c1ccccc1)[N@@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000245433827 432830251 /nfs/dbraw/zinc/83/02/51/432830251.db2.gz PLOFGTOMDWDXNM-UXHICEINSA-N 2 1 315.505 3.240 10 0 DGAEMP CC[C@@H](c1ccccc1)[N@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000245433827 432830253 /nfs/dbraw/zinc/83/02/53/432830253.db2.gz PLOFGTOMDWDXNM-UXHICEINSA-N 2 1 315.505 3.240 10 0 DGAEMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC(Nc2ccccc2F)CC1 ZINC000162026742 432808763 /nfs/dbraw/zinc/80/87/63/432808763.db2.gz HWJHLTYOOKSWLK-MRXNPFEDSA-N 2 1 305.441 3.186 10 0 DGAEMP Cc1n[nH]cc1CN1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000245752902 432861511 /nfs/dbraw/zinc/86/15/11/432861511.db2.gz HHKWQWHHXQHICM-AZUAARDMSA-N 2 1 324.472 3.205 10 0 DGAEMP CCOCc1cc(C[N@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)ccc1OC ZINC000245771297 432861866 /nfs/dbraw/zinc/86/18/66/432861866.db2.gz RUOKXHCSCJUYOA-YJBOKZPZSA-N 2 1 320.477 3.146 10 0 DGAEMP CCOCc1cc(C[N@@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)ccc1OC ZINC000245771297 432861868 /nfs/dbraw/zinc/86/18/68/432861868.db2.gz RUOKXHCSCJUYOA-YJBOKZPZSA-N 2 1 320.477 3.146 10 0 DGAEMP CCOCc1cc(C[NH+](C)[C@H]2CC[N@H+](C)[C@@H](C)C2)ccc1OC ZINC000245771297 432861869 /nfs/dbraw/zinc/86/18/69/432861869.db2.gz RUOKXHCSCJUYOA-YJBOKZPZSA-N 2 1 320.477 3.146 10 0 DGAEMP CCOCc1cc(C[NH+](C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)ccc1OC ZINC000245771297 432861872 /nfs/dbraw/zinc/86/18/72/432861872.db2.gz RUOKXHCSCJUYOA-YJBOKZPZSA-N 2 1 320.477 3.146 10 0 DGAEMP CCCn1c2ccccc2nc1CN(C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000245765142 432862223 /nfs/dbraw/zinc/86/22/23/432862223.db2.gz QPHJIVNKGODWCW-HOTGVXAUSA-N 2 1 314.477 3.361 10 0 DGAEMP CCOCc1cc(C[N@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)ccc1OC ZINC000245771294 432862309 /nfs/dbraw/zinc/86/23/09/432862309.db2.gz RUOKXHCSCJUYOA-MAUKXSAKSA-N 2 1 320.477 3.146 10 0 DGAEMP CCOCc1cc(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)ccc1OC ZINC000245771294 432862312 /nfs/dbraw/zinc/86/23/12/432862312.db2.gz RUOKXHCSCJUYOA-MAUKXSAKSA-N 2 1 320.477 3.146 10 0 DGAEMP CCOCc1cc(C[NH+](C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)ccc1OC ZINC000245771294 432862313 /nfs/dbraw/zinc/86/23/13/432862313.db2.gz RUOKXHCSCJUYOA-MAUKXSAKSA-N 2 1 320.477 3.146 10 0 DGAEMP CCOCc1cc(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)ccc1OC ZINC000245771294 432862314 /nfs/dbraw/zinc/86/23/14/432862314.db2.gz RUOKXHCSCJUYOA-MAUKXSAKSA-N 2 1 320.477 3.146 10 0 DGAEMP C=Cn1cc(C[NH2+]Cc2ccccc2C[NH+]2CCCCC2)cn1 ZINC000447853268 433307182 /nfs/dbraw/zinc/30/71/82/433307182.db2.gz DYDZBZJQRIQHJJ-UHFFFAOYSA-N 2 1 310.445 3.259 10 0 DGAEMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H]1CCCS1 ZINC000362024190 433496822 /nfs/dbraw/zinc/49/68/22/433496822.db2.gz IAXQETDEMCNDLN-NJAFHUGGSA-N 2 1 304.503 3.382 10 0 DGAEMP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1cc(Br)ccc1Cl ZINC000414937908 433925699 /nfs/dbraw/zinc/92/56/99/433925699.db2.gz CVHUPAXRIHVFQJ-RNCFNFMXSA-N 2 1 317.658 3.190 10 0 DGAEMP C[N@H+](C[C@@H]1CCC[C@H](O)C1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000309682662 434098992 /nfs/dbraw/zinc/09/89/92/434098992.db2.gz AEUWDASGDYTQJG-QUCCMNQESA-N 2 1 316.489 3.134 10 0 DGAEMP C[N@@H+](C[C@@H]1CCC[C@H](O)C1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000309682662 434099000 /nfs/dbraw/zinc/09/90/00/434099000.db2.gz AEUWDASGDYTQJG-QUCCMNQESA-N 2 1 316.489 3.134 10 0 DGAEMP C[C@@H]([NH2+]CCCc1c[nH+]cn1C)c1cccc(Br)c1 ZINC000314078718 434135024 /nfs/dbraw/zinc/13/50/24/434135024.db2.gz DCHZXVMZVLOTMK-GFCCVEGCSA-N 2 1 322.250 3.466 10 0 DGAEMP C[C@H]([NH2+]CCCc1c[nH+]cn1C)c1cccc(Br)c1 ZINC000314078719 434138519 /nfs/dbraw/zinc/13/85/19/434138519.db2.gz DCHZXVMZVLOTMK-LBPRGKRZSA-N 2 1 322.250 3.466 10 0 DGAEMP CCC[N@@H+]1CCC[C@@H]1C(=O)Nc1ccc(C[NH+](C)C)c(Cl)c1 ZINC000357931009 434250137 /nfs/dbraw/zinc/25/01/37/434250137.db2.gz OVOUAWUTDOEBFD-MRXNPFEDSA-N 2 1 323.868 3.215 10 0 DGAEMP CCC[N@H+]1CCC[C@@H]1C(=O)Nc1ccc(C[NH+](C)C)c(Cl)c1 ZINC000357931009 434250142 /nfs/dbraw/zinc/25/01/42/434250142.db2.gz OVOUAWUTDOEBFD-MRXNPFEDSA-N 2 1 323.868 3.215 10 0 DGAEMP c1ccc2c(c1)NCCC[C@@H]2[NH2+]CCC[NH2+]Cc1cccnc1 ZINC000423191578 434276846 /nfs/dbraw/zinc/27/68/46/434276846.db2.gz SYMQFBWCWXOVLI-IBGZPJMESA-N 2 1 310.445 3.098 10 0 DGAEMP C[C@]1(CN[C@@H]2CCCC[C@H]2C[NH3+])CCC[N@@H+]1Cc1ccccc1 ZINC000397923060 434446274 /nfs/dbraw/zinc/44/62/74/434446274.db2.gz PJKVFQWIEYVVBM-XUVXKRRUSA-N 2 1 315.505 3.148 10 0 DGAEMP C[C@]1(CN[C@@H]2CCCC[C@H]2C[NH3+])CCC[N@H+]1Cc1ccccc1 ZINC000397923060 434446280 /nfs/dbraw/zinc/44/62/80/434446280.db2.gz PJKVFQWIEYVVBM-XUVXKRRUSA-N 2 1 315.505 3.148 10 0 DGAEMP c1cn2c([nH+]1)CC[C@@H]([NH2+][C@H]1CCCOc3cc4c(cc31)CCC4)C2 ZINC000360023378 434482230 /nfs/dbraw/zinc/48/22/30/434482230.db2.gz ZAVQCCQXBSYOII-AEFFLSMTSA-N 2 1 323.440 3.190 10 0 DGAEMP c1nc(CN2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)oc1C1CC1 ZINC000371185949 434653641 /nfs/dbraw/zinc/65/36/41/434653641.db2.gz VEMVWLDOZFNIQL-GDBMZVCRSA-N 2 1 301.434 3.001 10 0 DGAEMP c1cc(C[NH+]2CCCCC2)cc(C[N@@H+]2CCO[C@@H](C3CC3)C2)c1 ZINC000411566162 434804165 /nfs/dbraw/zinc/80/41/65/434804165.db2.gz WJYXSUQMLRXLNJ-HXUWFJFHSA-N 2 1 314.473 3.283 10 0 DGAEMP c1cc(C[NH+]2CCCCC2)cc(C[N@H+]2CCO[C@@H](C3CC3)C2)c1 ZINC000411566162 434804169 /nfs/dbraw/zinc/80/41/69/434804169.db2.gz WJYXSUQMLRXLNJ-HXUWFJFHSA-N 2 1 314.473 3.283 10 0 DGAEMP c1ccc(C[N@H+]2CC[C@H]([NH2+]C[C@@H]3CCCOC3)CC23CC3)cc1 ZINC000573205995 434880477 /nfs/dbraw/zinc/88/04/77/434880477.db2.gz MUWIZEWRAUNQQF-OALUTQOASA-N 2 1 314.473 3.200 10 0 DGAEMP c1ccc(C[N@@H+]2CC[C@H]([NH2+]C[C@@H]3CCCOC3)CC23CC3)cc1 ZINC000573205995 434880481 /nfs/dbraw/zinc/88/04/81/434880481.db2.gz MUWIZEWRAUNQQF-OALUTQOASA-N 2 1 314.473 3.200 10 0 DGAEMP c1cncc(-c2cccc(C[N@H+]3CC[C@@]4(C3)CCC[NH2+]C4)c2)c1 ZINC000569693180 435553434 /nfs/dbraw/zinc/55/34/34/435553434.db2.gz AVLVAQVVLQFTBM-FQEVSTJZSA-N 2 1 307.441 3.324 10 0 DGAEMP c1nc2ccc(C[NH2+]Cc3ccc(C[NH+]4CCCC4)cc3)cc2[nH]1 ZINC000518770351 435652825 /nfs/dbraw/zinc/65/28/25/435652825.db2.gz KNJURBGWPSKVQJ-UHFFFAOYSA-N 2 1 320.440 3.449 10 0 DGAEMP CC[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)CO1 ZINC000657433729 436199404 /nfs/dbraw/zinc/19/94/04/436199404.db2.gz ZZGXJUYUPUODHP-UJMXGEILSA-N 2 1 314.473 3.054 10 0 DGAEMP CC[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CO1 ZINC000657433727 436200860 /nfs/dbraw/zinc/20/08/60/436200860.db2.gz ZZGXJUYUPUODHP-CENDIDJXSA-N 2 1 314.473 3.054 10 0 DGAEMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@](C)(O)C(C)C)cc1 ZINC000178118269 312786644 /nfs/dbraw/zinc/78/66/44/312786644.db2.gz FWEZEUKOCKLTNJ-KSSFIOAISA-N 2 1 301.434 3.238 10 0 DGAEMP CC1=CC[N@@H+](CCNC2CC[NH+]([C@@H]3CCCC[C@H]3C)CC2)CC1 ZINC000545161008 314229336 /nfs/dbraw/zinc/22/93/36/314229336.db2.gz JRUVZNYXUMBLLG-UYAOXDASSA-N 2 1 319.537 3.271 10 0 DGAEMP CC1=CCN(CC[NH2+]C2CC[NH+]([C@@H]3CCCC[C@H]3C)CC2)CC1 ZINC000545161008 314229339 /nfs/dbraw/zinc/22/93/39/314229339.db2.gz JRUVZNYXUMBLLG-UYAOXDASSA-N 2 1 319.537 3.271 10 0 DGAEMP c1cc(OCC2CC2)ccc1C[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000564973846 315216388 /nfs/dbraw/zinc/21/63/88/315216388.db2.gz YFWSRPDZFQRPHT-IBGZPJMESA-N 2 1 300.446 3.051 10 0 DGAEMP c1cc(OCC2CC2)ccc1C[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000564973846 315216391 /nfs/dbraw/zinc/21/63/91/315216391.db2.gz YFWSRPDZFQRPHT-IBGZPJMESA-N 2 1 300.446 3.051 10 0 DGAEMP Cc1nc(CNC[C@@]2(C)CCC[N@H+]2Cc2ccccc2)[nH]c1C ZINC000565549925 315270078 /nfs/dbraw/zinc/27/00/78/315270078.db2.gz OTCSVGHLMOUMLC-LJQANCHMSA-N 2 1 312.461 3.171 10 0 DGAEMP Cc1nc(C[NH2+]C[C@@]2(C)CCCN2Cc2ccccc2)[nH]c1C ZINC000565549925 315270081 /nfs/dbraw/zinc/27/00/81/315270081.db2.gz OTCSVGHLMOUMLC-LJQANCHMSA-N 2 1 312.461 3.171 10 0 DGAEMP c1ccc(C[N@H+]2CC[C@H]([NH2+]CC3=CCOCC3)CC23CC3)cc1 ZINC000574810831 316002999 /nfs/dbraw/zinc/00/29/99/316002999.db2.gz PFVXJPBDHJLDJJ-IBGZPJMESA-N 2 1 312.457 3.120 10 0 DGAEMP c1ccc(C[N@@H+]2CC[C@H]([NH2+]CC3=CCOCC3)CC23CC3)cc1 ZINC000574810831 316003001 /nfs/dbraw/zinc/00/30/01/316003001.db2.gz PFVXJPBDHJLDJJ-IBGZPJMESA-N 2 1 312.457 3.120 10 0 DGAEMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2ccc(-c3cc[nH]n3)o2)CC1 ZINC000576928700 316183280 /nfs/dbraw/zinc/18/32/80/316183280.db2.gz FWPHRAKCGKSKHU-UHFFFAOYSA-N 2 1 316.449 3.222 10 0 DGAEMP COCC[N@@H+](C)CCC[NH2+][C@@H](c1ccc(Cl)cc1)C1CC1 ZINC000180014121 323219924 /nfs/dbraw/zinc/21/99/24/323219924.db2.gz TZDPCKQQLOSTHF-QGZVFWFLSA-N 2 1 310.869 3.349 10 0 DGAEMP c1ccc(C[N@@H+]2CC[C@@H]([NH2+][C@H]3CCCOCC3)CC23CC3)cc1 ZINC000584529271 337356423 /nfs/dbraw/zinc/35/64/23/337356423.db2.gz YOBWULFVZCPYET-RBUKOAKNSA-N 2 1 314.473 3.342 10 0 DGAEMP c1ccc(C[N@H+]2CC[C@@H]([NH2+][C@H]3CCCOCC3)CC23CC3)cc1 ZINC000584529271 337356424 /nfs/dbraw/zinc/35/64/24/337356424.db2.gz YOBWULFVZCPYET-RBUKOAKNSA-N 2 1 314.473 3.342 10 0 DGAEMP C[C@H](CCCC[NH3+])[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000309731673 533850253 /nfs/dbraw/zinc/85/02/53/533850253.db2.gz SEGFFNVWANYCDZ-GSEOLPGOSA-N 3 1 315.505 3.004 10 0 DGAEMP C[C@H]([NH2+]C[C@@H]1CCC(C)(C)O1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309775658 533881788 /nfs/dbraw/zinc/88/17/88/533881788.db2.gz IZCWOYPKTRFFKG-UHOSZYNNSA-N 2 1 316.489 3.444 10 0 DGAEMP CCCC[C@H](COC)[NH2+]C1CCN(c2ccc(C)c[nH+]2)CC1 ZINC000163506308 521198091 /nfs/dbraw/zinc/19/80/91/521198091.db2.gz XREHJWCRGDSBGK-QGZVFWFLSA-N 2 1 305.466 3.154 10 0 DGAEMP Brc1ccccc1C[N@@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000415054292 526647798 /nfs/dbraw/zinc/64/77/98/526647798.db2.gz PRLFVERPDYWYPR-CJNGLKHVSA-N 2 1 323.278 3.413 10 0 DGAEMP Brc1ccccc1C[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000415054292 526647804 /nfs/dbraw/zinc/64/78/04/526647804.db2.gz PRLFVERPDYWYPR-CJNGLKHVSA-N 2 1 323.278 3.413 10 0 DGAEMP Cc1[nH+]ccn1CCCC[N@H+](CCc1nccs1)C(C)C ZINC000163419975 527392151 /nfs/dbraw/zinc/39/21/51/527392151.db2.gz DPMJVBPOCMPSFR-UHFFFAOYSA-N 2 1 306.479 3.381 10 0 DGAEMP Cc1[nH+]ccn1CCCC[N@@H+](CCc1nccs1)C(C)C ZINC000163419975 527392163 /nfs/dbraw/zinc/39/21/63/527392163.db2.gz DPMJVBPOCMPSFR-UHFFFAOYSA-N 2 1 306.479 3.381 10 0 DGAEMP Clc1ccc(OCC[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)cc1 ZINC000252417054 546330905 /nfs/dbraw/zinc/33/09/05/546330905.db2.gz QDKKXVLTYJHYBM-RHSMWYFYSA-N 2 1 308.853 3.183 10 0 DGAEMP Clc1ccc(OCC[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)cc1 ZINC000252417056 546331284 /nfs/dbraw/zinc/33/12/84/546331284.db2.gz QDKKXVLTYJHYBM-WMLDXEAASA-N 2 1 308.853 3.183 10 0 DGAEMP c1ccc(COCCCC[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000339069086 546533364 /nfs/dbraw/zinc/53/33/64/546533364.db2.gz QVMQYZCYOPJPGH-MOPGFXCFSA-N 2 1 302.462 3.200 10 0 DGAEMP c1ccc(COCCCC[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000339069088 546533498 /nfs/dbraw/zinc/53/34/98/546533498.db2.gz QVMQYZCYOPJPGH-OALUTQOASA-N 2 1 302.462 3.200 10 0 DGAEMP CO[C@@H]1CCC[C@H]([NH2+]CC[C@@H](C)[N@@H+](C)Cc2ccccc2)C1 ZINC000379625179 546735556 /nfs/dbraw/zinc/73/55/56/546735556.db2.gz FMXCXNLWCRITIN-NZSAHSFTSA-N 2 1 304.478 3.444 10 0 DGAEMP c1csc(CC[NH2+]C2[C@@H]3C[C@H]2C[N@@H+](Cc2ccccc2)C3)c1 ZINC000399629018 575988147 /nfs/dbraw/zinc/98/81/47/575988147.db2.gz WEDPYOOXLXUSSY-JJTKIYQPSA-N 2 1 312.482 3.401 10 0 DGAEMP c1csc(CC[NH2+]C2[C@@H]3C[C@H]2C[N@H+](Cc2ccccc2)C3)c1 ZINC000399629018 575988154 /nfs/dbraw/zinc/98/81/54/575988154.db2.gz WEDPYOOXLXUSSY-JJTKIYQPSA-N 2 1 312.482 3.401 10 0 DGAEMP c1cn(C[NH+]2CCC(C[NH+]3CCCC3)CC2)nc1-c1ccccc1 ZINC000151825546 620476042 /nfs/dbraw/zinc/47/60/42/620476042.db2.gz BNPLXOUZMVQKLO-UHFFFAOYSA-N 2 1 324.472 3.315 10 0 DGAEMP CC1(C)CO[C@@H](C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000708401639 660920987 /nfs/dbraw/zinc/92/09/87/660920987.db2.gz ZXZQJKTXBGGKJO-GOSISDBHSA-N 2 1 302.462 3.056 10 0 DGAEMP C[C@H](c1ccc(Br)cc1)[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723905522 655729364 /nfs/dbraw/zinc/72/93/64/655729364.db2.gz KRTZYMCIINCHGG-YRGRVCCFSA-N 2 1 311.267 3.427 10 0 DGAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cn1ccc(-c2ccccc2)n1 ZINC000176079713 655732181 /nfs/dbraw/zinc/73/21/81/655732181.db2.gz CUIDHHZWVJSLIM-SFHVURJKSA-N 2 1 321.428 3.177 10 0 DGAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cn1ccc(-c2ccccc2)n1 ZINC000176079713 655732183 /nfs/dbraw/zinc/73/21/83/655732183.db2.gz CUIDHHZWVJSLIM-SFHVURJKSA-N 2 1 321.428 3.177 10 0 DGAEMP C[C@]1(C[N@H+]2CCCCC[C@@H]2C[C@H](O)c2cccs2)CC[NH2+]C1 ZINC000262068680 655768889 /nfs/dbraw/zinc/76/88/89/655768889.db2.gz RVDLTCVMNDIZHN-RYRKJORJSA-N 2 1 322.518 3.416 10 0 DGAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cn1cnc2cc(C)c(C)cc21 ZINC000176081403 656068465 /nfs/dbraw/zinc/06/84/65/656068465.db2.gz ASGLHRDNPOZTSX-QGZVFWFLSA-N 2 1 323.444 3.280 10 0 DGAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cn1cnc2cc(C)c(C)cc21 ZINC000176081403 656068467 /nfs/dbraw/zinc/06/84/67/656068467.db2.gz ASGLHRDNPOZTSX-QGZVFWFLSA-N 2 1 323.444 3.280 10 0 DGAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1C[C@H](O)c1cc(C)cc(C)c1 ZINC000178336679 656092030 /nfs/dbraw/zinc/09/20/30/656092030.db2.gz ZJOYWBTWDJLQLG-MOPGFXCFSA-N 2 1 313.445 3.006 10 0 DGAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1C[C@H](O)c1cc(C)cc(C)c1 ZINC000178336679 656092032 /nfs/dbraw/zinc/09/20/32/656092032.db2.gz ZJOYWBTWDJLQLG-MOPGFXCFSA-N 2 1 313.445 3.006 10 0 DGAEMP CC(C)C[C@@H](O)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716620029 661224988 /nfs/dbraw/zinc/22/49/88/661224988.db2.gz KHUXOTOWHXLXQM-ZGXWSNOMSA-N 2 1 316.489 3.036 10 0 DGAEMP COCC1CC([NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)C1 ZINC000716620378 661225201 /nfs/dbraw/zinc/22/52/01/661225201.db2.gz MOURXUNBNFVFNM-KUZRIEKOSA-N 2 1 314.473 3.054 10 0 DGAEMP CC[C@@H](C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2)OC ZINC000716674625 661226794 /nfs/dbraw/zinc/22/67/94/661226794.db2.gz ZBIBVQRDGSAUPT-RDGPPVDQSA-N 2 1 302.462 3.054 10 0 DGAEMP C[C@H](CC(C)(C)O)[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716688842 661227661 /nfs/dbraw/zinc/22/76/61/661227661.db2.gz BXDMVSDVRWJXIA-BVBHFADKSA-N 2 1 316.489 3.179 10 0 DGAEMP CC[C@@H]([NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2)C(C)(C)O ZINC000716703079 661227714 /nfs/dbraw/zinc/22/77/14/661227714.db2.gz WZKVZLKBSLBGQJ-ZSYWTGECSA-N 2 1 316.489 3.179 10 0 DGAEMP COC1(C[NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)CCC1 ZINC000716730483 661228022 /nfs/dbraw/zinc/22/80/22/661228022.db2.gz XEBISAJKUVSWPS-FHWLQOOXSA-N 2 1 314.473 3.198 10 0 DGAEMP Cc1ccc(C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)cn1 ZINC000310129886 656443442 /nfs/dbraw/zinc/44/34/42/656443442.db2.gz KKCDNCRSYZFTJJ-QHAWAJNXSA-N 2 1 321.468 3.390 10 0 DGAEMP C[C@@H]([NH2+]Cc1cc(Br)ccc1Cl)[C@H]1CC[NH2+]C1 ZINC000722376656 656614576 /nfs/dbraw/zinc/61/45/76/656614576.db2.gz JAQRMWDZMDUDCN-ZJUUUORDSA-N 2 1 317.658 3.190 10 0 DGAEMP C[C@]1(C[N@H+]2CCCCC[C@@H]2C[C@H](O)c2ccccc2)CC[NH2+]C1 ZINC000262044649 657297116 /nfs/dbraw/zinc/29/71/16/657297116.db2.gz POPAVZPMGBDKRV-AABGKKOBSA-N 2 1 316.489 3.354 10 0 DGAEMP C[NH+](C)CC1CC[NH+](c2ccc(NCc3cocn3)cc2)CC1 ZINC000192333089 662095472 /nfs/dbraw/zinc/09/54/72/662095472.db2.gz ZMKKBJPVYWKKDO-UHFFFAOYSA-N 2 1 314.433 3.065 10 0 DGAEMP CC[C@H](C)C[N@@H+](C)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000246162035 662249082 /nfs/dbraw/zinc/24/90/82/662249082.db2.gz DIMGIEXHJJXGNV-FXAWDEMLSA-N 2 1 318.505 3.410 10 0 DGAEMP C[C@H](COCc1ccccc1)C[N@H+]1CC[NH2+]CCC12CCC2 ZINC000719398104 662281642 /nfs/dbraw/zinc/28/16/42/662281642.db2.gz LMWGZHXJSWESOL-KRWDZBQOSA-N 2 1 302.462 3.057 10 0 DGAEMP Fc1ccc2nc([C@@H]3CCC[N@@H+](C[C@H]4CCC[NH2+]C4)C3)oc2c1 ZINC000262050298 1204304245 /nfs/dbraw/zinc/30/42/45/1204304245.db2.gz ZNWVWSBVZMTOFR-UONOGXRCSA-N 2 1 317.408 3.146 10 0 DGAEMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CC(C)(C)CO2)CC[N@@H+]1Cc1ccccc1 ZINC000708393222 1082768332 /nfs/dbraw/zinc/76/83/32/1082768332.db2.gz RQCSSIGCDDMZBK-BHIYHBOVSA-N 2 1 316.489 3.444 10 0 DGAEMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CC(C)(C)CO2)CC[N@H+]1Cc1ccccc1 ZINC000708393222 1082768334 /nfs/dbraw/zinc/76/83/34/1082768334.db2.gz RQCSSIGCDDMZBK-BHIYHBOVSA-N 2 1 316.489 3.444 10 0 DGAEMP Cc1cc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c(C)nn1 ZINC000720616097 1093874181 /nfs/dbraw/zinc/87/41/81/1093874181.db2.gz OLRTXQIMFFUMTO-QRWLVFNGSA-N 2 1 324.472 3.094 10 0 DGAEMP Cc1cc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)c(C)nn1 ZINC000720616097 1093874185 /nfs/dbraw/zinc/87/41/85/1093874185.db2.gz OLRTXQIMFFUMTO-QRWLVFNGSA-N 2 1 324.472 3.094 10 0 DGAEMP CC(C)[C@@H]1C[C@@H]([NH2+]CCC[N@@H+](C)Cc2ccccc2)CCO1 ZINC000378921242 1108002819 /nfs/dbraw/zinc/00/28/19/1108002819.db2.gz PJOINPRHIGUXIE-OALUTQOASA-N 2 1 304.478 3.302 10 0 DGAEMP C[C@@H]([NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCCCO1 ZINC000272745547 210151587 /nfs/dbraw/zinc/15/15/87/210151587.db2.gz JANUKDQLCYSRQP-HNJRGHQBSA-N 2 1 316.489 3.444 10 0 DGAEMP C[C@H]([NH2+]C[C@@H]1CCCC[C@@H]1O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272685381 210089916 /nfs/dbraw/zinc/08/99/16/210089916.db2.gz UINXWFUVYKREQJ-FFGOWVMKSA-N 2 1 316.489 3.038 10 0 DGAEMP C[C@H]([NH2+][C@@H]1CCCSC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272657367 210061569 /nfs/dbraw/zinc/06/15/69/210061569.db2.gz LWZOOYYEMITWNK-CGTJXYLNSA-N 2 1 304.503 3.382 10 0 DGAEMP c1nc(C2CCC2)sc1C[N@@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000415060885 237045845 /nfs/dbraw/zinc/04/58/45/237045845.db2.gz ZFAKHVHPZBAPLG-GOEBONIOSA-N 2 1 305.491 3.375 10 0 DGAEMP c1nc(C2CCC2)sc1C[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000415060885 237045858 /nfs/dbraw/zinc/04/58/58/237045858.db2.gz ZFAKHVHPZBAPLG-GOEBONIOSA-N 2 1 305.491 3.375 10 0 DGAEMP c1nc(C2CCC2)sc1C[N@@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000415060887 237047509 /nfs/dbraw/zinc/04/75/09/237047509.db2.gz ZFAKHVHPZBAPLG-HOCLYGCPSA-N 2 1 305.491 3.375 10 0 DGAEMP c1nc(C2CCC2)sc1C[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000415060887 237047515 /nfs/dbraw/zinc/04/75/15/237047515.db2.gz ZFAKHVHPZBAPLG-HOCLYGCPSA-N 2 1 305.491 3.375 10 0 DGAEMP c1cc(CCC[N@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)cc2c1OCC2 ZINC000415033395 237024198 /nfs/dbraw/zinc/02/41/98/237024198.db2.gz BRYJPBIDJOPVCN-MOPGFXCFSA-N 2 1 314.473 3.018 10 0 DGAEMP CC(C)OC(=O)c1ccc(C[N@H+](C)[C@@H]2CCN(C)[C@@H](C)C2)cc1 ZINC000135123466 432099589 /nfs/dbraw/zinc/09/95/89/432099589.db2.gz QFYKWNQTFZOHNE-MAUKXSAKSA-N 2 1 318.461 3.166 10 0 DGAEMP CC(C)OC(=O)c1ccc(C[N@@H+](C)[C@@H]2CCN(C)[C@@H](C)C2)cc1 ZINC000135123466 432099592 /nfs/dbraw/zinc/09/95/92/432099592.db2.gz QFYKWNQTFZOHNE-MAUKXSAKSA-N 2 1 318.461 3.166 10 0 DGAEMP Cc1cc(C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)ccn1 ZINC000449403926 240180439 /nfs/dbraw/zinc/18/04/39/240180439.db2.gz SEQVMGKHHPNVKL-NJDAHSKKSA-N 2 1 321.468 3.390 10 0 DGAEMP Cc1cc(C[NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)ccn1 ZINC000449403927 240180794 /nfs/dbraw/zinc/18/07/94/240180794.db2.gz SEQVMGKHHPNVKL-PCCBWWKXSA-N 2 1 321.468 3.390 10 0 DGAEMP COc1ccc2oc(C[N@H+](C)[C@@H]3CC[NH+](C)[C@@H](C)C3)cc2c1 ZINC000093645096 193282732 /nfs/dbraw/zinc/28/27/32/193282732.db2.gz QJFWBYFTEOOWHS-DZGCQCFKSA-N 2 1 302.418 3.356 10 0 DGAEMP COc1ccc2oc(C[N@@H+](C)[C@@H]3CC[NH+](C)[C@@H](C)C3)cc2c1 ZINC000093645096 193282734 /nfs/dbraw/zinc/28/27/34/193282734.db2.gz QJFWBYFTEOOWHS-DZGCQCFKSA-N 2 1 302.418 3.356 10 0 DGAEMP COc1ccc2oc(C[NH+](C)[C@@H]3CC[N@H+](C)[C@@H](C)C3)cc2c1 ZINC000093645096 193282735 /nfs/dbraw/zinc/28/27/35/193282735.db2.gz QJFWBYFTEOOWHS-DZGCQCFKSA-N 2 1 302.418 3.356 10 0 DGAEMP COc1ccc2oc(C[NH+](C)[C@@H]3CC[N@@H+](C)[C@@H](C)C3)cc2c1 ZINC000093645096 193282737 /nfs/dbraw/zinc/28/27/37/193282737.db2.gz QJFWBYFTEOOWHS-DZGCQCFKSA-N 2 1 302.418 3.356 10 0 DGAEMP C[C@@H]1C[C@H](N(C)Cc2ncc(-c3ccc(F)cc3)o2)CC[N@H+]1C ZINC000123595956 284241590 /nfs/dbraw/zinc/24/15/90/284241590.db2.gz FXHLTIPHBHMRHV-CZUORRHYSA-N 2 1 317.408 3.395 10 0 DGAEMP CCCOc1c(Cl)cc(C[NH2+]CCC[NH2+]C)cc1Cl ZINC000020967494 182257167 /nfs/dbraw/zinc/25/71/67/182257167.db2.gz KSRBMNRMOUVAKA-UHFFFAOYSA-N 2 1 305.249 3.481 10 0 DGAEMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)[C@@H](C)c2cccc(Cl)c2)CC1 ZINC000106124367 194187456 /nfs/dbraw/zinc/18/74/56/194187456.db2.gz HQRPAYAQKOCEHY-GJZGRUSLSA-N 2 1 324.896 3.426 10 0 DGAEMP CC(C)=CC[N@H+](C)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000106127806 194188192 /nfs/dbraw/zinc/18/81/92/194188192.db2.gz UQLSEUZVTONOMP-FQEVSTJZSA-N 2 1 316.489 3.330 10 0 DGAEMP COC[C@@H](C)C[NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000249774048 285088237 /nfs/dbraw/zinc/08/82/37/285088237.db2.gz KAQJWOFIMOWXCF-SJORKVTESA-N 2 1 304.478 3.291 10 0 DGAEMP Cc1nc2ccc(C[N@H+]3C[C@@H]4CCC[C@H]([NH3+])[C@@H]4C3)cc2s1 ZINC000261819343 285193462 /nfs/dbraw/zinc/19/34/62/285193462.db2.gz IGAGUFPDNWEVQC-ZNMIVQPWSA-N 2 1 301.459 3.164 10 0 DGAEMP C[NH+](C)[C@H]1CCO[C@@]2(CC[N@@H+](Cc3ccccc3Cl)C2)C1 ZINC000248003150 257111926 /nfs/dbraw/zinc/11/19/26/257111926.db2.gz OBXXTYYJBSXFKD-RDJZCZTQSA-N 2 1 308.853 3.025 10 0 DGAEMP c1cncc(C[N@@H+]2C[C@@H]3CCC[C@H](CNc4cc[nH+]cc4)[C@@H]3C2)c1 ZINC000253601749 257104546 /nfs/dbraw/zinc/10/45/46/257104546.db2.gz DXABWUKLVGZTBK-HBFSDRIKSA-N 2 1 322.456 3.437 10 0 DGAEMP Cc1cccnc1CC[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000295022186 224384597 /nfs/dbraw/zinc/38/45/97/224384597.db2.gz NGAFYKRCVDSDBG-UHFFFAOYSA-N 2 1 309.457 3.187 10 0 DGAEMP Cc1cc(F)ccc1C[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000121785271 195347134 /nfs/dbraw/zinc/34/71/34/195347134.db2.gz JHQMTBHJCBSQEQ-UHFFFAOYSA-N 2 1 301.409 3.322 10 0 DGAEMP Cc1ccc(C[N@@H+]2CCCC[C@H]2CC[NH3+])c(Br)c1 ZINC000164119167 132129229 /nfs/dbraw/zinc/12/92/29/132129229.db2.gz CHRMIDQHAGJAIL-AWEZNQCLSA-N 2 1 311.267 3.461 10 0 DGAEMP Cc1ccc(C[N@H+]2CCCC[C@H]2CC[NH3+])c(Br)c1 ZINC000164119167 132129231 /nfs/dbraw/zinc/12/92/31/132129231.db2.gz CHRMIDQHAGJAIL-AWEZNQCLSA-N 2 1 311.267 3.461 10 0 DGAEMP c1cc(CN[C@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)sn1 ZINC000404463118 400295520 /nfs/dbraw/zinc/29/55/20/400295520.db2.gz VJBJWGVULXARRA-JQHSSLGASA-N 2 1 313.470 3.143 10 0 DGAEMP c1cc(C[NH2+][C@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)sn1 ZINC000404463118 400295529 /nfs/dbraw/zinc/29/55/29/400295529.db2.gz VJBJWGVULXARRA-JQHSSLGASA-N 2 1 313.470 3.143 10 0 DGAEMP c1cc(C[NH2+][C@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)sn1 ZINC000404463118 400295538 /nfs/dbraw/zinc/29/55/38/400295538.db2.gz VJBJWGVULXARRA-JQHSSLGASA-N 2 1 313.470 3.143 10 0 DGAEMP C[N@H+]1C[C@@H]2C[NH+](Cc3ccccc3)[C@H](Cc3ccccc3)[C@@H]2C1 ZINC000409431356 400301666 /nfs/dbraw/zinc/30/16/66/400301666.db2.gz PNYXJCVPSYNSDZ-NJDAHSKKSA-N 2 1 306.453 3.291 10 0 DGAEMP C[NH+]1C[C@@H]2C[N@H+](Cc3ccccc3)[C@H](Cc3ccccc3)[C@@H]2C1 ZINC000409431356 400301669 /nfs/dbraw/zinc/30/16/69/400301669.db2.gz PNYXJCVPSYNSDZ-NJDAHSKKSA-N 2 1 306.453 3.291 10 0 DGAEMP C[NH+]1C[C@@H]2C[N@@H+](Cc3ccccc3)[C@H](Cc3ccccc3)[C@@H]2C1 ZINC000409431356 400301674 /nfs/dbraw/zinc/30/16/74/400301674.db2.gz PNYXJCVPSYNSDZ-NJDAHSKKSA-N 2 1 306.453 3.291 10 0 DGAEMP C[NH2+]CCOCC[N@@H+](C)[C@H](C)c1ccc(Cl)cc1Cl ZINC000629571869 400980268 /nfs/dbraw/zinc/98/02/68/400980268.db2.gz RSDRPWMDZQNKIK-LLVKDONJSA-N 2 1 305.249 3.222 10 0 DGAEMP C[C@H](N[C@H]1CCCCC[N@@H+](Cc2ccccc2)C1)[C@@H]1CC[NH2+]C1 ZINC000635019567 401405474 /nfs/dbraw/zinc/40/54/74/401405474.db2.gz IACUKVVVLVAFIN-SXLOBPIMSA-N 2 1 315.505 3.019 10 0 DGAEMP C[C@H]([NH2+][C@H]1CCCCCN(Cc2ccccc2)C1)[C@@H]1CC[NH2+]C1 ZINC000635019567 401405476 /nfs/dbraw/zinc/40/54/76/401405476.db2.gz IACUKVVVLVAFIN-SXLOBPIMSA-N 2 1 315.505 3.019 10 0 DGAEMP c1ccc(Oc2cccnc2)c(C[N@@H+]2CCC[C@H]3C[NH2+]CC[C@@H]32)c1 ZINC000631888921 401564782 /nfs/dbraw/zinc/56/47/82/401564782.db2.gz DFTWHZQBWNCQPW-LPHOPBHVSA-N 2 1 323.440 3.448 10 0 DGAEMP c1ccc(Oc2cccnc2)c(C[N@H+]2CCC[C@H]3C[NH2+]CC[C@@H]32)c1 ZINC000631888921 401564784 /nfs/dbraw/zinc/56/47/84/401564784.db2.gz DFTWHZQBWNCQPW-LPHOPBHVSA-N 2 1 323.440 3.448 10 0 DGAEMP Cc1cc(-n2ccnc2)ccc1C[N@H+](C)[C@H]1CCN(C)[C@H](C)C1 ZINC000192056065 165280394 /nfs/dbraw/zinc/28/03/94/165280394.db2.gz HNWRDIBLYURNKJ-AEFFLSMTSA-N 2 1 312.461 3.095 10 0 DGAEMP Cc1cc(-n2ccnc2)ccc1C[NH+](C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000192056065 165280396 /nfs/dbraw/zinc/28/03/96/165280396.db2.gz HNWRDIBLYURNKJ-AEFFLSMTSA-N 3 1 312.461 3.095 10 0 DGAEMP Cc1cc(-n2ccnc2)ccc1C[NH+](C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000192056065 165280399 /nfs/dbraw/zinc/28/03/99/165280399.db2.gz HNWRDIBLYURNKJ-AEFFLSMTSA-N 3 1 312.461 3.095 10 0 DGAEMP Cc1cc(-n2ccnc2)ccc1C[N@@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000192056065 165280405 /nfs/dbraw/zinc/28/04/05/165280405.db2.gz HNWRDIBLYURNKJ-AEFFLSMTSA-N 3 1 312.461 3.095 10 0 DGAEMP Cc1cc(-n2ccnc2)ccc1C[N@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000192056065 165280409 /nfs/dbraw/zinc/28/04/09/165280409.db2.gz HNWRDIBLYURNKJ-AEFFLSMTSA-N 3 1 312.461 3.095 10 0 DGAEMP CC(C)(O)CC[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000269053957 432153802 /nfs/dbraw/zinc/15/38/02/432153802.db2.gz RSPXUZBDKYHWAM-OALUTQOASA-N 2 1 316.489 3.134 10 0 DGAEMP CC(C)(O)CC[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000269053957 432153807 /nfs/dbraw/zinc/15/38/07/432153807.db2.gz RSPXUZBDKYHWAM-OALUTQOASA-N 2 1 316.489 3.134 10 0 DGAEMP CC(C)(O)CC[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000269053957 432153810 /nfs/dbraw/zinc/15/38/10/432153810.db2.gz RSPXUZBDKYHWAM-OALUTQOASA-N 2 1 316.489 3.134 10 0 DGAEMP CC[N@H+]1CC[C@@H]([NH+](C)CCCc2ccccc2OC)[C@H](C)C1 ZINC000182625335 432212227 /nfs/dbraw/zinc/21/22/27/432212227.db2.gz LDONNBJCVKGORR-SJLPKXTDSA-N 2 1 304.478 3.290 10 0 DGAEMP CC[NH+]1CC[C@@H]([N@H+](C)CCCc2ccccc2OC)[C@H](C)C1 ZINC000182625335 432212232 /nfs/dbraw/zinc/21/22/32/432212232.db2.gz LDONNBJCVKGORR-SJLPKXTDSA-N 2 1 304.478 3.290 10 0 DGAEMP CC[NH+]1CC[C@@H]([N@@H+](C)CCCc2ccccc2OC)[C@H](C)C1 ZINC000182625335 432212234 /nfs/dbraw/zinc/21/22/34/432212234.db2.gz LDONNBJCVKGORR-SJLPKXTDSA-N 2 1 304.478 3.290 10 0 DGAEMP Cc1nccn1C[C@H]1CCC[N@H+]1C[C@@H](O)c1cccc(Cl)c1 ZINC000247218103 432213098 /nfs/dbraw/zinc/21/30/98/432213098.db2.gz YHMBHGQZQJYXQI-IAGOWNOFSA-N 2 1 319.836 3.043 10 0 DGAEMP CCCC[N@@H+](C)CC1CC[NH+]([C@@H]2Cc3ccccc3[C@H]2O)CC1 ZINC000247402464 432228206 /nfs/dbraw/zinc/22/82/06/432228206.db2.gz LZGUWENFPGNXGE-WOJBJXKFSA-N 2 1 316.489 3.089 10 0 DGAEMP Cc1[nH+]c2c(n1[C@H]1CC[N@H+](CC3(O)CCCCC3)C1)CCCC2 ZINC000299744098 229381811 /nfs/dbraw/zinc/38/18/11/229381811.db2.gz QWNNBLMFWXAMGM-INIZCTEOSA-N 2 1 317.477 3.012 10 0 DGAEMP Cc1[nH+]c2c(n1[C@H]1CC[N@@H+](CC3(O)CCCCC3)C1)CCCC2 ZINC000299744098 229381814 /nfs/dbraw/zinc/38/18/14/229381814.db2.gz QWNNBLMFWXAMGM-INIZCTEOSA-N 2 1 317.477 3.012 10 0 DGAEMP c1ccc2c(c1)nc(CN[C@@H]1CC[N@H+]3CCC[C@H]3C1)n2C1CC1 ZINC000355503444 266095969 /nfs/dbraw/zinc/09/59/69/266095969.db2.gz AYPYUKQOBFYXNY-ZBFHGGJFSA-N 2 1 310.445 3.088 10 0 DGAEMP CC[C@H]([NH2+]C[C@H](O)CN1CCCCC1)c1ccc(Cl)s1 ZINC000151334362 432238302 /nfs/dbraw/zinc/23/83/02/432238302.db2.gz VDHJQDNQDPZONB-STQMWFEESA-N 2 1 316.898 3.289 10 0 DGAEMP Cc1ncccc1C[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000368058312 271126629 /nfs/dbraw/zinc/12/66/29/271126629.db2.gz HKKCWHIQBTUOKM-XLIONFOSSA-N 2 1 309.457 3.390 10 0 DGAEMP Cc1ncccc1C[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000368058310 271127263 /nfs/dbraw/zinc/12/72/63/271127263.db2.gz HKKCWHIQBTUOKM-FXAWDEMLSA-N 2 1 309.457 3.390 10 0 DGAEMP C[NH+]1CCN([C@H]2CCCC[N@H+](CC3CCCCCC3)C2)CC1 ZINC000186853316 277111661 /nfs/dbraw/zinc/11/16/61/277111661.db2.gz VCINKHUIEVSYAA-IBGZPJMESA-N 2 1 307.526 3.059 10 0 DGAEMP C[NH+]1CCN([C@H]2CCCC[N@@H+](CC3CCCCCC3)C2)CC1 ZINC000186853316 277111662 /nfs/dbraw/zinc/11/16/62/277111662.db2.gz VCINKHUIEVSYAA-IBGZPJMESA-N 2 1 307.526 3.059 10 0 DGAEMP CCn1cc(C[N@H+]2CC[C@H](C3CC[NH+](CC(C)C)CC3)C2)cn1 ZINC000014953072 431598383 /nfs/dbraw/zinc/59/83/83/431598383.db2.gz QSALWARIKSSENW-IBGZPJMESA-N 2 1 318.509 3.093 10 0 DGAEMP COc1ccc([C@@H]2C[C@H](C)[N@@H+](CCC[NH+]3CCCC3)C2)cc1 ZINC000118998702 431632963 /nfs/dbraw/zinc/63/29/63/431632963.db2.gz HUMQMTSMXOKANL-FUHWJXTLSA-N 2 1 302.462 3.359 10 0 DGAEMP C[C@@H]1C[C@H]([NH+](C)Cc2cc(F)cc3cccnc32)CC[N@@H+]1C ZINC000123746427 431873411 /nfs/dbraw/zinc/87/34/11/431873411.db2.gz FLDITTOCCMGTBO-CXAGYDPISA-N 2 1 301.409 3.288 10 0 DGAEMP C[C@@H]1C[C@H]([NH+](C)Cc2cc(F)cc3cccnc32)CC[N@H+]1C ZINC000123746427 431873412 /nfs/dbraw/zinc/87/34/12/431873412.db2.gz FLDITTOCCMGTBO-CXAGYDPISA-N 2 1 301.409 3.288 10 0 DGAEMP C[C@@H]1C[C@H]([N@H+](C)Cc2cc(F)cc3cccnc32)CC[NH+]1C ZINC000123746427 431873414 /nfs/dbraw/zinc/87/34/14/431873414.db2.gz FLDITTOCCMGTBO-CXAGYDPISA-N 2 1 301.409 3.288 10 0 DGAEMP C[C@@H]1C[C@H]([N@@H+](C)Cc2cc(F)cc3cccnc32)CC[NH+]1C ZINC000123746427 431873415 /nfs/dbraw/zinc/87/34/15/431873415.db2.gz FLDITTOCCMGTBO-CXAGYDPISA-N 2 1 301.409 3.288 10 0 DGAEMP Cc1[nH+]ccn1CCCC[N@@H+](C)Cc1nc2c(s1)CCCC2 ZINC000125540646 431929378 /nfs/dbraw/zinc/92/93/78/431929378.db2.gz QHYVCCOCYVRQPE-UHFFFAOYSA-N 2 1 318.490 3.439 10 0 DGAEMP Cc1[nH+]ccn1CCCC[N@H+](C)Cc1nc2c(s1)CCCC2 ZINC000125540646 431929381 /nfs/dbraw/zinc/92/93/81/431929381.db2.gz QHYVCCOCYVRQPE-UHFFFAOYSA-N 2 1 318.490 3.439 10 0 DGAEMP Cc1cccc(NC[C@H]2CC[N@H+](C[C@H](O)C3CCCCC3)C2)[nH+]1 ZINC000191325044 281246682 /nfs/dbraw/zinc/24/66/82/281246682.db2.gz SCNJVDASAGVIGV-AEFFLSMTSA-N 2 1 317.477 3.065 10 0 DGAEMP Cc1cccc(NC[C@H]2CC[N@@H+](C[C@H](O)C3CCCCC3)C2)[nH+]1 ZINC000191325044 281246688 /nfs/dbraw/zinc/24/66/88/281246688.db2.gz SCNJVDASAGVIGV-AEFFLSMTSA-N 2 1 317.477 3.065 10 0 DGAEMP Cn1cc[nH+]c1CC1CC[NH+](CCc2ccc(F)c(F)c2)CC1 ZINC000152055459 432299707 /nfs/dbraw/zinc/29/97/07/432299707.db2.gz GCDYBZHBKBQDST-UHFFFAOYSA-N 2 1 319.399 3.196 10 0 DGAEMP CSc1ccc(OCC[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)cc1 ZINC000248065995 432266428 /nfs/dbraw/zinc/26/64/28/432266428.db2.gz MGBAXVPAMABZCH-CRAIPNDOSA-N 2 1 320.502 3.203 10 0 DGAEMP CSc1ccc(OCC[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)cc1 ZINC000248065995 432266430 /nfs/dbraw/zinc/26/64/30/432266430.db2.gz MGBAXVPAMABZCH-CRAIPNDOSA-N 2 1 320.502 3.203 10 0 DGAEMP CSc1ccc(OCC[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)cc1 ZINC000248065995 432266437 /nfs/dbraw/zinc/26/64/37/432266437.db2.gz MGBAXVPAMABZCH-CRAIPNDOSA-N 2 1 320.502 3.203 10 0 DGAEMP C[N@H+](Cc1ccc(OC(F)(F)F)cc1)C[C@]1(C)CC[NH2+]C1 ZINC000261756232 432447968 /nfs/dbraw/zinc/44/79/68/432447968.db2.gz KRGIBILZNDIFDC-CQSZACIVSA-N 2 1 302.340 3.017 10 0 DGAEMP C[N@@H+](Cc1ccc(OC(F)(F)F)cc1)C[C@]1(C)CC[NH2+]C1 ZINC000261756232 432447973 /nfs/dbraw/zinc/44/79/73/432447973.db2.gz KRGIBILZNDIFDC-CQSZACIVSA-N 2 1 302.340 3.017 10 0 DGAEMP c1cc([C@H]2CCC[N@H+]2CCC[NH+]2CCCC2)cc2c1OCO2 ZINC000153480793 432413457 /nfs/dbraw/zinc/41/34/57/432413457.db2.gz SZPITWVXWUQGFG-MRXNPFEDSA-N 2 1 302.418 3.038 10 0 DGAEMP c1cc([C@H]2CCC[N@@H+]2CCC[NH+]2CCCC2)cc2c1OCO2 ZINC000153480793 432413458 /nfs/dbraw/zinc/41/34/58/432413458.db2.gz SZPITWVXWUQGFG-MRXNPFEDSA-N 2 1 302.418 3.038 10 0 DGAEMP CC1(C)CC[C@H](C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)O1 ZINC000184629968 432414381 /nfs/dbraw/zinc/41/43/81/432414381.db2.gz RODUMCOZLYEKQI-GOSISDBHSA-N 2 1 302.462 3.198 10 0 DGAEMP CC[NH2+]CC1CC[NH+](Cc2sc(C)nc2C(F)(F)F)CC1 ZINC000262074448 432473991 /nfs/dbraw/zinc/47/39/91/432473991.db2.gz DCBRAKCZBBHDSW-UHFFFAOYSA-N 2 1 321.412 3.292 10 0 DGAEMP CC[N@@H+](CC1CC[NH2+]CC1)[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000262287665 432479685 /nfs/dbraw/zinc/47/96/85/432479685.db2.gz VQKUGTFEUFXITO-YLJYHZDGSA-N 2 1 315.505 3.143 10 0 DGAEMP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3csc(-c4ccccc4)n3)C[C@@H]21 ZINC000262289257 432480171 /nfs/dbraw/zinc/48/01/71/432480171.db2.gz NAHWMJVZFHGNAJ-BHYGNILZSA-N 2 1 313.470 3.369 10 0 DGAEMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3csc(-c4ccccc4)n3)C[C@@H]21 ZINC000262289257 432480177 /nfs/dbraw/zinc/48/01/77/432480177.db2.gz NAHWMJVZFHGNAJ-BHYGNILZSA-N 2 1 313.470 3.369 10 0 DGAEMP CC(C)C[N@@H+](C[C@@H]1CCC[NH2+]C1)[C@H]1CCCc2cccnc21 ZINC000261937029 432462470 /nfs/dbraw/zinc/46/24/70/432462470.db2.gz MGSBXBHOGLBZRZ-AEFFLSMTSA-N 2 1 301.478 3.417 10 0 DGAEMP Cc1ccccc1C(C)(C)C[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1 ZINC000261948950 432464615 /nfs/dbraw/zinc/46/46/15/432464615.db2.gz NZTWGUVVMJYKAF-QRQLOZEOSA-N 2 1 316.489 3.019 10 0 DGAEMP C[C@]1(C[N@H+]2CCC[C@@H](c3nc4c(s3)CCCC4)C2)CC[NH2+]C1 ZINC000262020582 432470165 /nfs/dbraw/zinc/47/01/65/432470165.db2.gz NCCYIGGDZMVJBG-KDOFPFPSSA-N 2 1 319.518 3.201 10 0 DGAEMP CC[C@@H](C)[N@@H+](C)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000187682791 432676409 /nfs/dbraw/zinc/67/64/09/432676409.db2.gz XKVSZOCTLWZKFN-APWZRJJASA-N 2 1 304.478 3.162 10 0 DGAEMP CC[N@H+]1CC[C@H]([NH2+]CCc2cn(C)c3cc(C)ccc23)[C@H](C)C1 ZINC000188699487 432740101 /nfs/dbraw/zinc/74/01/01/432740101.db2.gz QJVZDHXGTLPLGD-APWZRJJASA-N 2 1 313.489 3.349 10 0 DGAEMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccccc2OC(F)F)[C@@H](C)C1 ZINC000245430386 432829282 /nfs/dbraw/zinc/82/92/82/432829282.db2.gz NOVWRILMTWODKX-DZGCQCFKSA-N 2 1 312.404 3.450 10 0 DGAEMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccccc2OC(F)F)[C@@H](C)C1 ZINC000245430386 432829284 /nfs/dbraw/zinc/82/92/84/432829284.db2.gz NOVWRILMTWODKX-DZGCQCFKSA-N 2 1 312.404 3.450 10 0 DGAEMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccccc2OC(F)F)[C@@H](C)C1 ZINC000245430386 432829286 /nfs/dbraw/zinc/82/92/86/432829286.db2.gz NOVWRILMTWODKX-DZGCQCFKSA-N 2 1 312.404 3.450 10 0 DGAEMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccccc2OC(F)F)[C@@H](C)C1 ZINC000245430386 432829288 /nfs/dbraw/zinc/82/92/88/432829288.db2.gz NOVWRILMTWODKX-DZGCQCFKSA-N 2 1 312.404 3.450 10 0 DGAEMP CCOc1ccc(OCC[N@@H+](C)[C@@H]2CC[NH+](CC)C[C@@H]2C)cc1 ZINC000245444833 432831527 /nfs/dbraw/zinc/83/15/27/432831527.db2.gz YKAYGJNABXNCDF-QFBILLFUSA-N 2 1 320.477 3.126 10 0 DGAEMP CCOc1ccc(OCC[NH+](C)[C@@H]2CC[N@H+](CC)C[C@@H]2C)cc1 ZINC000245444833 432831530 /nfs/dbraw/zinc/83/15/30/432831530.db2.gz YKAYGJNABXNCDF-QFBILLFUSA-N 2 1 320.477 3.126 10 0 DGAEMP CCOc1ccc(OCC[NH+](C)[C@@H]2CC[N@@H+](CC)C[C@@H]2C)cc1 ZINC000245444833 432831534 /nfs/dbraw/zinc/83/15/34/432831534.db2.gz YKAYGJNABXNCDF-QFBILLFUSA-N 2 1 320.477 3.126 10 0 DGAEMP Cc1[nH+]ccn1CCCC[N@H+]1C[C@H](c2ccccc2)OC[C@@H]1C ZINC000162906959 432838167 /nfs/dbraw/zinc/83/81/67/432838167.db2.gz DRNVPDGWFIRAMF-QFBILLFUSA-N 2 1 313.445 3.434 10 0 DGAEMP Cc1[nH+]ccn1CCCC[N@@H+]1C[C@H](c2ccccc2)OC[C@@H]1C ZINC000162906959 432838171 /nfs/dbraw/zinc/83/81/71/432838171.db2.gz DRNVPDGWFIRAMF-QFBILLFUSA-N 2 1 313.445 3.434 10 0 DGAEMP CC(C)c1csc([C@H]2CCC[N@@H+](CC3CC[NH2+]CC3)C2)n1 ZINC000178981814 432794144 /nfs/dbraw/zinc/79/41/44/432794144.db2.gz DUKODBNGEKQVSN-HNNXBMFYSA-N 2 1 307.507 3.446 10 0 DGAEMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2[C@@H]3CCCO[C@H]3C2(C)C)c1 ZINC000245845540 432865390 /nfs/dbraw/zinc/86/53/90/432865390.db2.gz FKGSHDAQIYVDJJ-IPMKNSEASA-N 2 1 316.489 3.432 10 0 DGAEMP c1ccc(COCCCC[NH2+]C2CC[NH+](C3CC3)CC2)cc1 ZINC000298272259 433073498 /nfs/dbraw/zinc/07/34/98/433073498.db2.gz GKUVCDNXKADKJF-UHFFFAOYSA-N 2 1 302.462 3.200 10 0 DGAEMP C([NH+]1CCCC12CCC2)C1(C[N@H+]2CCCC23CCC3)COC1 ZINC000373095654 433091127 /nfs/dbraw/zinc/09/11/27/433091127.db2.gz UBTWIDWODUUOSD-UHFFFAOYSA-N 2 1 304.478 3.040 10 0 DGAEMP Cc1cc(CC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)on1 ZINC000376058395 433654666 /nfs/dbraw/zinc/65/46/66/433654666.db2.gz PPZNUXSRBJYHRB-HNAYVOBHSA-N 2 1 313.445 3.026 10 0 DGAEMP CO[C@@H]1CCC[C@H]1[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000370525864 293175636 /nfs/dbraw/zinc/17/56/36/293175636.db2.gz ASDMFLNBZLUKPS-USYVTKNRSA-N 2 1 314.473 3.339 10 0 DGAEMP CO[C@H]1CCC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000370802092 293191213 /nfs/dbraw/zinc/19/12/13/293191213.db2.gz ASDMFLNBZLUKPS-NOSIKRSBSA-N 2 1 314.473 3.339 10 0 DGAEMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)[C@@H](C)O1 ZINC000449155918 433724989 /nfs/dbraw/zinc/72/49/89/433724989.db2.gz CLYAARSUJQZPIR-KDEOKCCVSA-N 2 1 308.491 3.287 10 0 DGAEMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)[C@@H](C)O1 ZINC000449155918 433724995 /nfs/dbraw/zinc/72/49/95/433724995.db2.gz CLYAARSUJQZPIR-KDEOKCCVSA-N 2 1 308.491 3.287 10 0 DGAEMP c1ccc([C@H]2CC[C@H](C[NH2+][C@H]3CC[N@H+]4CCC[C@H]4C3)O2)cc1 ZINC000377579101 433920706 /nfs/dbraw/zinc/92/07/06/433920706.db2.gz HYGCPDAWXKRZAD-INDMIFKZSA-N 2 1 300.446 3.123 10 0 DGAEMP c1ccc([C@@H]2CCC[C@H]2[NH2+]CCC[NH2+]Cc2cccnc2)cc1 ZINC000414876302 433894623 /nfs/dbraw/zinc/89/46/23/433894623.db2.gz KMIPONCHDNXSAV-VQTJNVASSA-N 2 1 309.457 3.487 10 0 DGAEMP Cc1cccnc1CC[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000295068204 434177816 /nfs/dbraw/zinc/17/78/16/434177816.db2.gz QUVMALBYGHDKTJ-AZUAARDMSA-N 2 1 323.484 3.433 10 0 DGAEMP Cc1nccnc1[C@H](C)N[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000363866677 434166661 /nfs/dbraw/zinc/16/66/61/434166661.db2.gz QMOSNAQCEAYTKP-IEZWGBDMSA-N 2 1 324.472 3.346 10 0 DGAEMP [NH3+]C1CCC([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC000390643999 434364733 /nfs/dbraw/zinc/36/47/33/434364733.db2.gz HYKSQHDNGCASSZ-DXTJYYCRSA-N 3 1 313.489 3.042 10 0 DGAEMP [NH3+]C1CCC([NH2+]C2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)CC1 ZINC000390643999 434364738 /nfs/dbraw/zinc/36/47/38/434364738.db2.gz HYKSQHDNGCASSZ-DXTJYYCRSA-N 2 1 313.489 3.042 10 0 DGAEMP Cc1ccc(CC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)nc1 ZINC000399678045 434478452 /nfs/dbraw/zinc/47/84/52/434478452.db2.gz PCHHSPPGIBYHNN-GHTZIAJQSA-N 2 1 323.484 3.433 10 0 DGAEMP COC1(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)CCCC1 ZINC000398008972 434452195 /nfs/dbraw/zinc/45/21/95/434452195.db2.gz AKJNJMRITFJJJI-PKOBYXMFSA-N 2 1 316.489 3.446 10 0 DGAEMP C[C@@H](CC[NH+](C)C)[NH2+]Cc1ccc(C(=O)OC(C)(C)C)cc1 ZINC000360982251 434753566 /nfs/dbraw/zinc/75/35/66/434753566.db2.gz HOYXJCNRGQQSTA-AWEZNQCLSA-N 2 1 306.450 3.072 10 0 DGAEMP c1cc(C[N@@H+]2CCO[C@H](C3CC3)C2)ccc1C[NH+]1CCCCC1 ZINC000411564625 434800790 /nfs/dbraw/zinc/80/07/90/434800790.db2.gz TTZXEYXDEOFMHF-FQEVSTJZSA-N 2 1 314.473 3.283 10 0 DGAEMP c1cc(C[N@H+]2CCO[C@H](C3CC3)C2)ccc1C[NH+]1CCCCC1 ZINC000411564625 434800793 /nfs/dbraw/zinc/80/07/93/434800793.db2.gz TTZXEYXDEOFMHF-FQEVSTJZSA-N 2 1 314.473 3.283 10 0 DGAEMP c1cc(C[NH+]2CCOCC2)ccc1C[NH2+][C@H](C1CC1)C1CCC1 ZINC000453097595 434798037 /nfs/dbraw/zinc/79/80/37/434798037.db2.gz UOIBGDXGSAPKQF-FQEVSTJZSA-N 2 1 314.473 3.187 10 0 DGAEMP C[N@H+]1CCCC[C@@H]1CCN1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000472729020 435141165 /nfs/dbraw/zinc/14/11/65/435141165.db2.gz PWMDUYPNNJKSRU-VQTJNVASSA-N 2 1 321.553 3.449 10 0 DGAEMP CO[C@@H]1CCC[C@@H]1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000537096025 435426808 /nfs/dbraw/zinc/42/68/08/435426808.db2.gz DHCMVLARHCOLJJ-MTFMMBMASA-N 2 1 316.489 3.302 10 0 DGAEMP c1ccc([C@H](C[C@H]2CCOC2)[NH2+][C@@H]2CC[NH2+]C23CCC3)cc1 ZINC000530222788 313341971 /nfs/dbraw/zinc/34/19/71/313341971.db2.gz RQQKYVTUCRAZRX-BPQIPLTHSA-N 2 1 300.446 3.029 10 0 DGAEMP CC1=CC[N@@H+](CCNC2CC[NH+]([C@@H]3CCCC[C@@H]3C)CC2)CC1 ZINC000545161005 314229253 /nfs/dbraw/zinc/22/92/53/314229253.db2.gz JRUVZNYXUMBLLG-AZUAARDMSA-N 2 1 319.537 3.271 10 0 DGAEMP CC1=CCN(CC[NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3C)CC2)CC1 ZINC000545161005 314229255 /nfs/dbraw/zinc/22/92/55/314229255.db2.gz JRUVZNYXUMBLLG-AZUAARDMSA-N 2 1 319.537 3.271 10 0 DGAEMP COCC[N@@H+](C)CCC[NH2+][C@H](c1ccc(Cl)cc1)C1CC1 ZINC000180014137 323219686 /nfs/dbraw/zinc/21/96/86/323219686.db2.gz TZDPCKQQLOSTHF-KRWDZBQOSA-N 2 1 310.869 3.349 10 0 DGAEMP C[C@H](C[NH2+][C@H]1CCc2sc(Br)cc21)C[NH+](C)C ZINC000383457576 323625306 /nfs/dbraw/zinc/62/53/06/323625306.db2.gz IJATTWBLVMWPLH-KOLCDFICSA-N 2 1 317.296 3.285 10 0 DGAEMP Cc1ccc(N2CCC([NH2+][C@H](C)c3cncc(F)c3)CC2)[nH+]c1 ZINC000163517723 524941853 /nfs/dbraw/zinc/94/18/53/524941853.db2.gz UGAGTMFZIBRZSS-CQSZACIVSA-N 2 1 314.408 3.244 10 0 DGAEMP c1cc2c(c([C@@H]3CCC[N@H+]3CCC[NH+]3CCCC3)c1)OCCO2 ZINC000162910529 526438735 /nfs/dbraw/zinc/43/87/35/526438735.db2.gz QETSXZPWVFCKGV-KRWDZBQOSA-N 2 1 316.445 3.081 10 0 DGAEMP c1cc2c(c([C@@H]3CCC[N@@H+]3CCC[NH+]3CCCC3)c1)OCCO2 ZINC000162910529 526438738 /nfs/dbraw/zinc/43/87/38/526438738.db2.gz QETSXZPWVFCKGV-KRWDZBQOSA-N 2 1 316.445 3.081 10 0 DGAEMP Brc1ccccc1C[N@@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000415054295 526647222 /nfs/dbraw/zinc/64/72/22/526647222.db2.gz PRLFVERPDYWYPR-CZUORRHYSA-N 2 1 323.278 3.413 10 0 DGAEMP Brc1ccccc1C[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000415054295 526647224 /nfs/dbraw/zinc/64/72/24/526647224.db2.gz PRLFVERPDYWYPR-CZUORRHYSA-N 2 1 323.278 3.413 10 0 DGAEMP C(C[NH2+]C1CCC(N2CC[NH2+]CC2)CC1)CC1CCCCC1 ZINC000415053775 527483737 /nfs/dbraw/zinc/48/37/37/527483737.db2.gz MVEQJWARXKJZLR-UHFFFAOYSA-N 2 1 307.526 3.153 10 0 DGAEMP CC[N@H+]1CC[C@H]([NH+](C)CCCc2cccc(OC)c2)[C@H](C)C1 ZINC000175730688 527833133 /nfs/dbraw/zinc/83/31/33/527833133.db2.gz XZZUCRZWAULBIA-APWZRJJASA-N 2 1 304.478 3.290 10 0 DGAEMP CC[NH+]1CC[C@H]([N@H+](C)CCCc2cccc(OC)c2)[C@H](C)C1 ZINC000175730688 527833140 /nfs/dbraw/zinc/83/31/40/527833140.db2.gz XZZUCRZWAULBIA-APWZRJJASA-N 2 1 304.478 3.290 10 0 DGAEMP CC[NH+]1CC[C@H]([N@@H+](C)CCCc2cccc(OC)c2)[C@H](C)C1 ZINC000175730688 527833146 /nfs/dbraw/zinc/83/31/46/527833146.db2.gz XZZUCRZWAULBIA-APWZRJJASA-N 2 1 304.478 3.290 10 0 DGAEMP C[C@H]([NH2+]CCOC(C)(C)C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000381305400 546739306 /nfs/dbraw/zinc/73/93/06/546739306.db2.gz JSFJQWXHQWNWNY-FUHWJXTLSA-N 2 1 304.478 3.302 10 0 DGAEMP CC[NH+](CC)C[C@H](C)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000482511990 546911389 /nfs/dbraw/zinc/91/13/89/546911389.db2.gz QFHCLROTVYYDBN-HBFSDRIKSA-N 2 1 317.521 3.217 10 0 DGAEMP CCCC[N@@H+](C)CC1CC[NH+](C[C@](C)(O)c2ccccc2)CC1 ZINC000106383369 631253084 /nfs/dbraw/zinc/25/30/84/631253084.db2.gz AFBXSZJYDZCNIU-FQEVSTJZSA-N 2 1 318.505 3.338 10 0 DGAEMP Brc1ccc2c(c1)C[N@H+](CC1C[C@H]3CC[C@@H](C1)[NH2+]3)C2 ZINC000707907823 660915140 /nfs/dbraw/zinc/91/51/40/660915140.db2.gz SWYYNRDGVFKRBB-POYXUOKUSA-N 2 1 321.262 3.295 10 0 DGAEMP C[N@H+](Cc1cscc1Br)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000709978490 660931490 /nfs/dbraw/zinc/93/14/90/660931490.db2.gz AXQBWHAEUSUBPF-KOLCDFICSA-N 2 1 303.269 3.070 10 0 DGAEMP CC[C@@H](c1ccc(Br)cc1)[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000723856910 655725877 /nfs/dbraw/zinc/72/58/77/655725877.db2.gz DEFADDWIRHXTCU-KYOSRNDESA-N 2 1 311.267 3.427 10 0 DGAEMP C[N@@H+]1CC[C@@H](C[NH2+]C/C=C/c2ccccc2)[C@@H]1c1cccnc1 ZINC000328623945 656063734 /nfs/dbraw/zinc/06/37/34/656063734.db2.gz CEIQZBACPIKWEK-FETDAWAGSA-N 2 1 307.441 3.377 10 0 DGAEMP C[N@H+]1CC[C@@H](C[NH2+]C/C=C/c2ccccc2)[C@@H]1c1cccnc1 ZINC000328623945 656063735 /nfs/dbraw/zinc/06/37/35/656063735.db2.gz CEIQZBACPIKWEK-FETDAWAGSA-N 2 1 307.441 3.377 10 0 DGAEMP CC(C)[C@](C)(O)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716619030 661224872 /nfs/dbraw/zinc/22/48/72/661224872.db2.gz AOWOVLOYMVETKX-LWYYNNOASA-N 2 1 316.489 3.036 10 0 DGAEMP CCOCCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716674250 661226599 /nfs/dbraw/zinc/22/65/99/661226599.db2.gz WQTXINJDXVBMML-FHWLQOOXSA-N 2 1 302.462 3.056 10 0 DGAEMP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)[C@H](C)O1 ZINC000716688849 661227698 /nfs/dbraw/zinc/22/76/98/661227698.db2.gz BXTUFQLLWBQDIS-MPDWGWIWSA-N 2 1 314.473 3.195 10 0 DGAEMP CC[C@@](C)(C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2)OC ZINC000716728277 661227943 /nfs/dbraw/zinc/22/79/43/661227943.db2.gz OEVDDOZSZCXEOY-YRPNKDGESA-N 2 1 316.489 3.444 10 0 DGAEMP C[N@H+](Cc1cccc(OC(F)(F)F)c1)C[C@@]1(C)CC[NH2+]C1 ZINC000262042022 657297347 /nfs/dbraw/zinc/29/73/47/657297347.db2.gz PEWUZDFEPJEJMH-AWEZNQCLSA-N 2 1 302.340 3.017 10 0 DGAEMP C[N@@H+](Cc1cccc(OC(F)(F)F)c1)C[C@@]1(C)CC[NH2+]C1 ZINC000262042022 657297352 /nfs/dbraw/zinc/29/73/52/657297352.db2.gz PEWUZDFEPJEJMH-AWEZNQCLSA-N 2 1 302.340 3.017 10 0 DGAEMP CO[C@@H]1CCC[C@H]([NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000718737249 662260895 /nfs/dbraw/zinc/26/08/95/662260895.db2.gz ISVOYORERLWEMZ-HSALFYBXSA-N 2 1 316.489 3.446 10 0 DGAEMP CC[NH+]1CCC(NC[C@H]2CCCC[N@H+]2Cc2ccccc2)CC1 ZINC000379638576 685148938 /nfs/dbraw/zinc/14/89/38/685148938.db2.gz ACEVPQWQWMHUKS-HXUWFJFHSA-N 2 1 315.505 3.115 10 0 DGAEMP CC[NH+]1CCC([NH2+]C[C@H]2CCCCN2Cc2ccccc2)CC1 ZINC000379638576 685148944 /nfs/dbraw/zinc/14/89/44/685148944.db2.gz ACEVPQWQWMHUKS-HXUWFJFHSA-N 2 1 315.505 3.115 10 0 DGAEMP COc1ccc(C[NH2+]CCC[N@H+](C)Cc2ccccc2)cc1O ZINC000061556850 1195199213 /nfs/dbraw/zinc/19/92/13/1195199213.db2.gz BUKCDXRCMQTWMO-UHFFFAOYSA-N 2 1 314.429 3.013 10 0 DGAEMP COc1ccc(C[NH2+]CCC[N@@H+](C)Cc2ccccc2)cc1O ZINC000061556850 1195199214 /nfs/dbraw/zinc/19/92/14/1195199214.db2.gz BUKCDXRCMQTWMO-UHFFFAOYSA-N 2 1 314.429 3.013 10 0 DGAEMP Fc1ccc(CC[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000076446361 1196480719 /nfs/dbraw/zinc/48/07/19/1196480719.db2.gz QGPMSDYQMGGXKE-LJQANCHMSA-N 2 1 312.432 3.480 10 0 DGAEMP FC(F)(F)CCC[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309908402 1199711812 /nfs/dbraw/zinc/71/18/12/1199711812.db2.gz RCPJJEJYXZNNOI-HNNXBMFYSA-N 2 1 300.368 3.441 10 0 DGAEMP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)C1CC[NH2+]CC1 ZINC000400774697 1093914396 /nfs/dbraw/zinc/91/43/96/1093914396.db2.gz OCHFZXAZPBRZKH-FUHIMQAGSA-N 3 1 315.505 3.017 10 0 DGAEMP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)C1CC[NH2+]CC1 ZINC000400774697 1093914398 /nfs/dbraw/zinc/91/43/98/1093914398.db2.gz OCHFZXAZPBRZKH-FUHIMQAGSA-N 3 1 315.505 3.017 10 0 DGAEMP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12)c1cnccn1 ZINC000310470067 231113670 /nfs/dbraw/zinc/11/36/70/231113670.db2.gz BCSQWHFNJRZDRT-JCHJZTRSSA-N 2 1 322.456 3.038 10 0 DGAEMP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12)c1cnccn1 ZINC000310470067 231113672 /nfs/dbraw/zinc/11/36/72/231113672.db2.gz BCSQWHFNJRZDRT-JCHJZTRSSA-N 2 1 322.456 3.038 10 0 DGAEMP COc1ccccc1C[N@@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000092813327 185343226 /nfs/dbraw/zinc/34/32/26/185343226.db2.gz GNRFJCOSCYQBAW-INIZCTEOSA-N 2 1 311.429 3.333 10 0 DGAEMP COc1ccccc1C[N@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000092813327 185343227 /nfs/dbraw/zinc/34/32/27/185343227.db2.gz GNRFJCOSCYQBAW-INIZCTEOSA-N 2 1 311.429 3.333 10 0 DGAEMP C[C@H]([NH2+][C@H]1CCCSC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272657368 210063087 /nfs/dbraw/zinc/06/30/87/210063087.db2.gz LWZOOYYEMITWNK-JQHSSLGASA-N 2 1 304.503 3.382 10 0 DGAEMP Cc1nccc(N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)cc2)n1 ZINC000132518036 432051136 /nfs/dbraw/zinc/05/11/36/432051136.db2.gz MJBKCTLKIRHEOJ-GDBMZVCRSA-N 2 1 302.809 3.296 10 0 DGAEMP c1cc(OCC2CC2)ccc1C[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000415033300 237022707 /nfs/dbraw/zinc/02/27/07/237022707.db2.gz BMAFCCARQFUBQX-UYAOXDASSA-N 2 1 314.473 3.439 10 0 DGAEMP COc1ccc(C[C@H](C)C[N@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)cc1F ZINC000186830629 200017698 /nfs/dbraw/zinc/01/76/98/200017698.db2.gz BWOFJENXPNYWSY-ZOBUZTSGSA-N 2 1 322.468 3.427 10 0 DGAEMP COc1ccc(C[C@H](C)C[N@@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)cc1F ZINC000186830629 200017699 /nfs/dbraw/zinc/01/76/99/200017699.db2.gz BWOFJENXPNYWSY-ZOBUZTSGSA-N 2 1 322.468 3.427 10 0 DGAEMP COc1ccc(C[C@H](C)C[NH+](C)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1F ZINC000186830629 200017700 /nfs/dbraw/zinc/01/77/00/200017700.db2.gz BWOFJENXPNYWSY-ZOBUZTSGSA-N 2 1 322.468 3.427 10 0 DGAEMP COc1ccc(C[C@H](C)C[NH+](C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1F ZINC000186830629 200017701 /nfs/dbraw/zinc/01/77/01/200017701.db2.gz BWOFJENXPNYWSY-ZOBUZTSGSA-N 2 1 322.468 3.427 10 0 DGAEMP Cc1cccc(C)c1OCCC[NH+](C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000123408704 284238032 /nfs/dbraw/zinc/23/80/32/284238032.db2.gz KDWXSDRXSZMKTI-MSOLQXFVSA-N 2 1 304.478 3.487 10 0 DGAEMP Cc1cccc(C)c1OCCC[NH+](C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000123408704 284238033 /nfs/dbraw/zinc/23/80/33/284238033.db2.gz KDWXSDRXSZMKTI-MSOLQXFVSA-N 2 1 304.478 3.487 10 0 DGAEMP Cc1cccc(C)c1OCCC[N@@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000123408704 284238036 /nfs/dbraw/zinc/23/80/36/284238036.db2.gz KDWXSDRXSZMKTI-MSOLQXFVSA-N 2 1 304.478 3.487 10 0 DGAEMP Cc1cccc(C)c1OCCC[N@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000123408704 284238037 /nfs/dbraw/zinc/23/80/37/284238037.db2.gz KDWXSDRXSZMKTI-MSOLQXFVSA-N 2 1 304.478 3.487 10 0 DGAEMP Cc1ccc(NC(=O)CN(C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1Cl ZINC000246604092 432149418 /nfs/dbraw/zinc/14/94/18/432149418.db2.gz GIAVBAMBINFSHX-ZFWWWQNUSA-N 2 1 323.868 3.001 10 0 DGAEMP [NH3+]CCC[N@@H+]1CCc2nc(-c3ccc(Cl)cc3)sc2C1 ZINC000041583283 183206850 /nfs/dbraw/zinc/20/68/50/183206850.db2.gz FHGNARXSQRKIKF-UHFFFAOYSA-N 2 1 307.850 3.170 10 0 DGAEMP [NH3+]CCC[N@H+]1CCc2nc(-c3ccc(Cl)cc3)sc2C1 ZINC000041583283 183206852 /nfs/dbraw/zinc/20/68/52/183206852.db2.gz FHGNARXSQRKIKF-UHFFFAOYSA-N 2 1 307.850 3.170 10 0 DGAEMP CC[N@H+]1CC[C@H]([NH+](C)CCCc2ccccc2OC)[C@@H](C)C1 ZINC000248553915 285004930 /nfs/dbraw/zinc/00/49/30/285004930.db2.gz LDONNBJCVKGORR-WMZOPIPTSA-N 2 1 304.478 3.290 10 0 DGAEMP CC[NH+]1CC[C@H]([N@H+](C)CCCc2ccccc2OC)[C@@H](C)C1 ZINC000248553915 285004933 /nfs/dbraw/zinc/00/49/33/285004933.db2.gz LDONNBJCVKGORR-WMZOPIPTSA-N 2 1 304.478 3.290 10 0 DGAEMP CC[NH+]1CC[C@H]([N@@H+](C)CCCc2ccccc2OC)[C@@H](C)C1 ZINC000248553915 285004937 /nfs/dbraw/zinc/00/49/37/285004937.db2.gz LDONNBJCVKGORR-WMZOPIPTSA-N 2 1 304.478 3.290 10 0 DGAEMP CC[N@H+]1CC[C@@H]([NH+](C)CCCOCc2ccccc2)[C@@H](C)C1 ZINC000248606806 285010362 /nfs/dbraw/zinc/01/03/62/285010362.db2.gz WJMYSNKKGGGSFE-PKOBYXMFSA-N 2 1 304.478 3.255 10 0 DGAEMP CC[NH+]1CC[C@@H]([N@H+](C)CCCOCc2ccccc2)[C@@H](C)C1 ZINC000248606806 285010364 /nfs/dbraw/zinc/01/03/64/285010364.db2.gz WJMYSNKKGGGSFE-PKOBYXMFSA-N 2 1 304.478 3.255 10 0 DGAEMP CC[NH+]1CC[C@@H]([N@@H+](C)CCCOCc2ccccc2)[C@@H](C)C1 ZINC000248606806 285010366 /nfs/dbraw/zinc/01/03/66/285010366.db2.gz WJMYSNKKGGGSFE-PKOBYXMFSA-N 2 1 304.478 3.255 10 0 DGAEMP C[C@H]([NH2+]C[C@@H](O)C1CCCCC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000249129893 285058516 /nfs/dbraw/zinc/05/85/16/285058516.db2.gz USPIEEITWOSUPT-VDZJLULYSA-N 2 1 308.510 3.170 10 0 DGAEMP Cc1ccc2c(CC[NH2+][C@H]3CC[N@H+]4CCC[C@H]4C3)cn(C)c2c1 ZINC000249171804 285061582 /nfs/dbraw/zinc/06/15/82/285061582.db2.gz BWYAJDOXHSTMKN-ROUUACIJSA-N 2 1 311.473 3.246 10 0 DGAEMP C/C(=C/c1ccccc1)C[N@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000255729154 285177151 /nfs/dbraw/zinc/17/71/51/285177151.db2.gz HMZNMNLXVZHJAT-MTMYEVCSSA-N 2 1 316.489 3.115 10 0 DGAEMP CC[N@@H+](Cc1ccc(-c2nc(C3([NH3+])CCC3)no2)cc1)C1CC1 ZINC000261819212 285192670 /nfs/dbraw/zinc/19/26/70/285192670.db2.gz IFMRWXBBAGVWAZ-UHFFFAOYSA-N 2 1 312.417 3.059 10 0 DGAEMP COc1ccc([C@@H](C)C[N@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)cc1 ZINC000261821594 285193232 /nfs/dbraw/zinc/19/32/32/285193232.db2.gz XYFMGUAMLFDGQR-SCWSEQNSSA-N 2 1 324.468 3.473 10 0 DGAEMP c1ccc(C[N@@H+]2CCCC[C@H](C[NH2+]CC3CCOCC3)C2)cc1 ZINC000289801705 221236090 /nfs/dbraw/zinc/23/60/90/221236090.db2.gz MFEUYYPIQBTRJP-HXUWFJFHSA-N 2 1 316.489 3.305 10 0 DGAEMP CC[C@@H](c1ccccc1)[NH+]1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000109752613 400355170 /nfs/dbraw/zinc/35/51/70/400355170.db2.gz QJABGMAVUPMSSP-PMACEKPBSA-N 2 1 315.505 3.240 10 0 DGAEMP CC(C)CC[C@@](C)(O)C[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000174423102 400856789 /nfs/dbraw/zinc/85/67/89/400856789.db2.gz IDNMXRXDRDRNEE-HXUWFJFHSA-N 2 1 318.505 3.428 10 0 DGAEMP c1ccc(Oc2cccnc2)c(C[N@@H+]2CCC[C@@H]3C[NH2+]CC[C@@H]32)c1 ZINC000631888920 401564726 /nfs/dbraw/zinc/56/47/26/401564726.db2.gz DFTWHZQBWNCQPW-APWZRJJASA-N 2 1 323.440 3.448 10 0 DGAEMP c1ccc(Oc2cccnc2)c(C[N@H+]2CCC[C@@H]3C[NH2+]CC[C@@H]32)c1 ZINC000631888920 401564729 /nfs/dbraw/zinc/56/47/29/401564729.db2.gz DFTWHZQBWNCQPW-APWZRJJASA-N 2 1 323.440 3.448 10 0 DGAEMP c1ccc(Oc2cccnc2)c(C[N@@H+]2CCC[C@@H]3C[NH2+]CC[C@H]32)c1 ZINC000631888923 401564807 /nfs/dbraw/zinc/56/48/07/401564807.db2.gz DFTWHZQBWNCQPW-VQIMIIECSA-N 2 1 323.440 3.448 10 0 DGAEMP c1ccc(Oc2cccnc2)c(C[N@H+]2CCC[C@@H]3C[NH2+]CC[C@H]32)c1 ZINC000631888923 401564809 /nfs/dbraw/zinc/56/48/09/401564809.db2.gz DFTWHZQBWNCQPW-VQIMIIECSA-N 2 1 323.440 3.448 10 0 DGAEMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@H]1CCCCO1 ZINC000623879226 401593169 /nfs/dbraw/zinc/59/31/69/401593169.db2.gz AZNDYPSQVGKJHZ-YSIASYRMSA-N 2 1 316.489 3.446 10 0 DGAEMP c1nc(C2CC2)oc1C[NH2+]Cc1ccc(C[NH+]2CCCC2)cc1 ZINC000628200252 401548840 /nfs/dbraw/zinc/54/88/40/401548840.db2.gz DRPQGZJYGPEYLY-UHFFFAOYSA-N 2 1 311.429 3.438 10 0 DGAEMP COCC(C)(C)C[NH2+]C[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000494100679 292197353 /nfs/dbraw/zinc/19/73/53/292197353.db2.gz YOXQJBYQTSTFSC-HOCLYGCPSA-N 2 1 310.507 3.393 10 0 DGAEMP COCC(C)(C)C[NH2+]C[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000494100679 292197355 /nfs/dbraw/zinc/19/73/55/292197355.db2.gz YOXQJBYQTSTFSC-HOCLYGCPSA-N 2 1 310.507 3.393 10 0 DGAEMP c1c2c(nn1-c1ccccc1)CCC[C@@H]2[NH2+]CCC[NH+]1CCCC1 ZINC000358944040 286194334 /nfs/dbraw/zinc/19/43/34/286194334.db2.gz OXYTWPQGMPGGGN-IBGZPJMESA-N 2 1 324.472 3.325 10 0 DGAEMP c1ccc(C[NH+]2CCC([NH2+]CCCC3CCOCC3)CC2)cc1 ZINC000361460583 286675847 /nfs/dbraw/zinc/67/58/47/286675847.db2.gz ZUMUQMUJZJXESF-UHFFFAOYSA-N 2 1 316.489 3.447 10 0 DGAEMP CCc1nc(C[NH+]2CCC(C[NH2+]CC=C(C)C)CC2)cs1 ZINC000192311423 165289215 /nfs/dbraw/zinc/28/92/15/165289215.db2.gz VICKJYINVUWEDV-UHFFFAOYSA-N 2 1 307.507 3.473 10 0 DGAEMP Cc1ccc(N2CCC([NH2+][C@@H](C)c3cccc(O)c3)CC2)[nH+]c1 ZINC000194899947 165358138 /nfs/dbraw/zinc/35/81/38/165358138.db2.gz KKPANGVRBSHVPB-HNNXBMFYSA-N 2 1 311.429 3.415 10 0 DGAEMP C1C[C@@H]([NH2+][C@@H]2CC[C@@H]3CCCC[C@@H]3C2)[C@@H]([C@@H]2COCC[NH2+]2)C1 ZINC000261846715 165755984 /nfs/dbraw/zinc/75/59/84/165755984.db2.gz AVRUGJOQWRZTOT-OXKKCRRXSA-N 2 1 306.494 3.092 10 0 DGAEMP CC[N@H+]1CC[C@H](C[NH2+][C@H]2CCCOc3c(Cl)cccc32)C1 ZINC000246809531 432166713 /nfs/dbraw/zinc/16/67/13/432166713.db2.gz ANDNTVRQKLMBSN-CJNGLKHVSA-N 2 1 308.853 3.485 10 0 DGAEMP CCC[N@H+]1CC[C@@H](CN[C@H]2CCCOc3ccc(OC)cc32)C1 ZINC000246856282 432173423 /nfs/dbraw/zinc/17/34/23/432173423.db2.gz CUCSAMMPHQVXPN-YJBOKZPZSA-N 2 1 318.461 3.230 10 0 DGAEMP CCC[N@@H+]1CC[C@@H](C[NH2+][C@H]2CCCOc3ccc(OC)cc32)C1 ZINC000246856282 432173429 /nfs/dbraw/zinc/17/34/29/432173429.db2.gz CUCSAMMPHQVXPN-YJBOKZPZSA-N 2 1 318.461 3.230 10 0 DGAEMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H]2CCCOc3ccc(OC)cc32)C1 ZINC000246856282 432173432 /nfs/dbraw/zinc/17/34/32/432173432.db2.gz CUCSAMMPHQVXPN-YJBOKZPZSA-N 2 1 318.461 3.230 10 0 DGAEMP CCCOc1ccc(OCC[N@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)cc1 ZINC000247047361 432196828 /nfs/dbraw/zinc/19/68/28/432196828.db2.gz VQAJIJPSXINJIZ-IRXDYDNUSA-N 2 1 320.477 3.269 10 0 DGAEMP CCCOc1ccc(OCC[N@@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)cc1 ZINC000247047361 432196833 /nfs/dbraw/zinc/19/68/33/432196833.db2.gz VQAJIJPSXINJIZ-IRXDYDNUSA-N 2 1 320.477 3.269 10 0 DGAEMP CCCOc1ccc(OCC[NH+](C)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000247047361 432196835 /nfs/dbraw/zinc/19/68/35/432196835.db2.gz VQAJIJPSXINJIZ-IRXDYDNUSA-N 2 1 320.477 3.269 10 0 DGAEMP CCCOc1ccc(OCC[NH+](C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000247047361 432196838 /nfs/dbraw/zinc/19/68/38/432196838.db2.gz VQAJIJPSXINJIZ-IRXDYDNUSA-N 2 1 320.477 3.269 10 0 DGAEMP Cc1nccn1C[C@@H]1CCC[N@H+]1C[C@@H](O)c1cccc(Cl)c1 ZINC000247218085 432213890 /nfs/dbraw/zinc/21/38/90/432213890.db2.gz YHMBHGQZQJYXQI-DLBZAZTESA-N 2 1 319.836 3.043 10 0 DGAEMP CCC[N@@H+]1CC[C@@H](C[NH2+][C@H]2CCCOc3ccc(F)cc32)C1 ZINC000247245370 432215736 /nfs/dbraw/zinc/21/57/36/432215736.db2.gz ZENHWHNBHPRFNN-YOEHRIQHSA-N 2 1 306.425 3.361 10 0 DGAEMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H]2CCCOc3ccc(F)cc32)C1 ZINC000247245370 432215740 /nfs/dbraw/zinc/21/57/40/432215740.db2.gz ZENHWHNBHPRFNN-YOEHRIQHSA-N 2 1 306.425 3.361 10 0 DGAEMP C[C@@H]1C[NH+](CCCCC[N@H+]2CCS[C@@H](C)C2)CCS1 ZINC000172655027 432227532 /nfs/dbraw/zinc/22/75/32/432227532.db2.gz JKVYIPVSGWPLIR-GASCZTMLSA-N 2 1 302.553 3.031 10 0 DGAEMP C[C@@H]1C[N@H+](CCCCC[NH+]2CCS[C@@H](C)C2)CCS1 ZINC000172655027 432227537 /nfs/dbraw/zinc/22/75/37/432227537.db2.gz JKVYIPVSGWPLIR-GASCZTMLSA-N 2 1 302.553 3.031 10 0 DGAEMP C[C@@H]1C[N@@H+](CCCCC[NH+]2CCS[C@@H](C)C2)CCS1 ZINC000172655027 432227542 /nfs/dbraw/zinc/22/75/42/432227542.db2.gz JKVYIPVSGWPLIR-GASCZTMLSA-N 2 1 302.553 3.031 10 0 DGAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CCCc1cccc(F)c1 ZINC000182828105 432233082 /nfs/dbraw/zinc/23/30/82/432233082.db2.gz DVENNQSRBIVSFG-SFHVURJKSA-N 2 1 301.409 3.428 10 0 DGAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CCCc1cccc(F)c1 ZINC000182828105 432233084 /nfs/dbraw/zinc/23/30/84/432233084.db2.gz DVENNQSRBIVSFG-SFHVURJKSA-N 2 1 301.409 3.428 10 0 DGAEMP CC[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)c1ccc(Cl)cc1 ZINC000151339247 432237944 /nfs/dbraw/zinc/23/79/44/432237944.db2.gz VDGJIJDVMUQKNA-SJORKVTESA-N 2 1 310.869 3.228 10 0 DGAEMP Cc1cc(C)c([C@@H](C)[NH2+]C[C@H](O)C[NH+]2CCCCC2)cc1C ZINC000151341530 432239675 /nfs/dbraw/zinc/23/96/75/432239675.db2.gz JPHCUAOTOTYYSG-MSOLQXFVSA-N 2 1 304.478 3.109 10 0 DGAEMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H]2CC(C)(C)c3cc(OC)ccc32)C1 ZINC000474071569 276212423 /nfs/dbraw/zinc/21/24/23/276212423.db2.gz FZXBCFSDRTUJGA-KBXCAEBGSA-N 2 1 302.462 3.349 10 0 DGAEMP COc1ccccc1C[C@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)C(C)C ZINC000152475057 278051380 /nfs/dbraw/zinc/05/13/80/278051380.db2.gz LNUPTSMFSHUDCS-APWZRJJASA-N 2 1 316.489 3.336 10 0 DGAEMP CCCn1cc(C[NH2+]Cc2cccc(C[N@@H+](C)C(C)C)c2)cn1 ZINC000116915193 431537069 /nfs/dbraw/zinc/53/70/69/431537069.db2.gz YYLAFSWMCOHISX-UHFFFAOYSA-N 2 1 314.477 3.423 10 0 DGAEMP COc1ccc([C@@H]2C[C@@H](C)[N@@H+](CCC[NH+]3CCCC3)C2)cc1 ZINC000118998616 431632457 /nfs/dbraw/zinc/63/24/57/431632457.db2.gz HUMQMTSMXOKANL-SJLPKXTDSA-N 2 1 302.462 3.359 10 0 DGAEMP C[C@@H]1C[N@@H+]([C@@H]2CCc3cc(Br)ccc32)C[C@@]1(C)C[NH3+] ZINC000311421565 288250787 /nfs/dbraw/zinc/25/07/87/288250787.db2.gz DZVYQIDPMNMBOV-HFBAOOFYSA-N 2 1 323.278 3.353 10 0 DGAEMP C[C@@H]1C[N@H+]([C@@H]2CCc3cc(Br)ccc32)C[C@@]1(C)C[NH3+] ZINC000311421565 288250788 /nfs/dbraw/zinc/25/07/88/288250788.db2.gz DZVYQIDPMNMBOV-HFBAOOFYSA-N 2 1 323.278 3.353 10 0 DGAEMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(-n3cccn3)cc2)[C@H](C)C1 ZINC000081097032 431783632 /nfs/dbraw/zinc/78/36/32/431783632.db2.gz UMMBGKWFQUKXEG-APWZRJJASA-N 2 1 312.461 3.034 10 0 DGAEMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(-n3cccn3)cc2)[C@H](C)C1 ZINC000081097032 431783636 /nfs/dbraw/zinc/78/36/36/431783636.db2.gz UMMBGKWFQUKXEG-APWZRJJASA-N 2 1 312.461 3.034 10 0 DGAEMP Clc1ccc(OCC[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)cc1 ZINC000037917785 431851153 /nfs/dbraw/zinc/85/11/53/431851153.db2.gz QDKKXVLTYJHYBM-PBHICJAKSA-N 2 1 308.853 3.183 10 0 DGAEMP C[C@@H]1C[C@H]([N@@H+](C)Cc2ccc(OC(F)(F)F)cc2)CCN1C ZINC000123602106 431868687 /nfs/dbraw/zinc/86/86/87/431868687.db2.gz DIBTYGKONUVWQN-TZMCWYRMSA-N 2 1 316.367 3.500 10 0 DGAEMP C[C@@H]1C[C@H](N(C)Cc2ccc(OC(F)(F)F)cc2)CC[N@@H+]1C ZINC000123602106 431868689 /nfs/dbraw/zinc/86/86/89/431868689.db2.gz DIBTYGKONUVWQN-TZMCWYRMSA-N 2 1 316.367 3.500 10 0 DGAEMP C[C@@H]1C[C@H](N(C)Cc2ccc(OC(F)(F)F)cc2)CC[N@H+]1C ZINC000123602106 431868691 /nfs/dbraw/zinc/86/86/91/431868691.db2.gz DIBTYGKONUVWQN-TZMCWYRMSA-N 2 1 316.367 3.500 10 0 DGAEMP C[C@@H]1C[C@H]([NH+](C)Cc2ccc(OC(F)(F)F)cc2)CC[N@@H+]1C ZINC000123602106 431868694 /nfs/dbraw/zinc/86/86/94/431868694.db2.gz DIBTYGKONUVWQN-TZMCWYRMSA-N 2 1 316.367 3.500 10 0 DGAEMP C[C@@H]1C[C@H]([NH+](C)Cc2ccc(OC(F)(F)F)cc2)CC[N@H+]1C ZINC000123602106 431868697 /nfs/dbraw/zinc/86/86/97/431868697.db2.gz DIBTYGKONUVWQN-TZMCWYRMSA-N 2 1 316.367 3.500 10 0 DGAEMP C[C@@H]1C[C@H]([N@H+](C)Cc2ccc(OC(F)(F)F)cc2)CC[NH+]1C ZINC000123602106 431868698 /nfs/dbraw/zinc/86/86/98/431868698.db2.gz DIBTYGKONUVWQN-TZMCWYRMSA-N 2 1 316.367 3.500 10 0 DGAEMP C[C@@H]1C[C@H]([N@@H+](C)Cc2ccc(OC(F)(F)F)cc2)CC[NH+]1C ZINC000123602106 431868700 /nfs/dbraw/zinc/86/87/00/431868700.db2.gz DIBTYGKONUVWQN-TZMCWYRMSA-N 2 1 316.367 3.500 10 0 DGAEMP Cc1cnn(CC[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)c1 ZINC000123866690 431876875 /nfs/dbraw/zinc/87/68/75/431876875.db2.gz LTEBHDDFUTYJOR-OAHLLOKOSA-N 2 1 309.417 3.036 10 0 DGAEMP Cc1ccc2c(c1)[C@H]([NH2+]C[C@H]1CC[N@H+](C3CC3)C1)CCCO2 ZINC000152433755 281119904 /nfs/dbraw/zinc/11/99/04/281119904.db2.gz SVWMZNAMPJXMIT-CRAIPNDOSA-N 2 1 300.446 3.283 10 0 DGAEMP CCc1nccn1[C@@H]1CCC[N@H+](Cc2ccncc2Cl)C1 ZINC000173698981 432295133 /nfs/dbraw/zinc/29/51/33/432295133.db2.gz PWJOTIHOCZHBKS-CQSZACIVSA-N 2 1 304.825 3.331 10 0 DGAEMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)[C@@H](C)C1 ZINC000248049291 432264477 /nfs/dbraw/zinc/26/44/77/432264477.db2.gz VXCBJHZOAZQEIV-PXNSSMCTSA-N 3 1 315.505 3.102 10 0 DGAEMP CC[N@@H+]1CC[C@H](NCc2ccc(C[NH+]3CCCC3)cc2)[C@@H](C)C1 ZINC000248049291 432264478 /nfs/dbraw/zinc/26/44/78/432264478.db2.gz VXCBJHZOAZQEIV-PXNSSMCTSA-N 2 1 315.505 3.102 10 0 DGAEMP CC[N@H+]1CC[C@H](NCc2ccc(C[NH+]3CCCC3)cc2)[C@@H](C)C1 ZINC000248049291 432264480 /nfs/dbraw/zinc/26/44/80/432264480.db2.gz VXCBJHZOAZQEIV-PXNSSMCTSA-N 2 1 315.505 3.102 10 0 DGAEMP CCN1CC[C@H]([NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)[C@@H](C)C1 ZINC000248049291 432264484 /nfs/dbraw/zinc/26/44/84/432264484.db2.gz VXCBJHZOAZQEIV-PXNSSMCTSA-N 2 1 315.505 3.102 10 0 DGAEMP Cc1nccn1-c1ccc([C@H](C)[NH2+]CC[C@@H]2CCC[N@H+]2C)cc1 ZINC000183678939 432316212 /nfs/dbraw/zinc/31/62/12/432316212.db2.gz IYMJLZGOHQDDRU-YJBOKZPZSA-N 3 1 312.461 3.316 10 0 DGAEMP Cc1ccc2cc(C[NH+]3CC[C@@H]4[C@@H](CCC[N@@H+]4C)C3)ccc2n1 ZINC000249850561 432360599 /nfs/dbraw/zinc/36/05/99/432360599.db2.gz PINHYZFHXHGBEI-AZUAARDMSA-N 2 1 309.457 3.459 10 0 DGAEMP Cc1ccc2cc(C[N@@H+]3CC[C@@H]4[C@@H](CCC[NH+]4C)C3)ccc2n1 ZINC000249850561 432360604 /nfs/dbraw/zinc/36/06/04/432360604.db2.gz PINHYZFHXHGBEI-AZUAARDMSA-N 2 1 309.457 3.459 10 0 DGAEMP Cc1ccc2cc(C[N@H+]3CC[C@@H]4[C@@H](CCC[NH+]4C)C3)ccc2n1 ZINC000249850561 432360608 /nfs/dbraw/zinc/36/06/08/432360608.db2.gz PINHYZFHXHGBEI-AZUAARDMSA-N 2 1 309.457 3.459 10 0 DGAEMP COCCC1(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)CCCCC1 ZINC000249846626 432360961 /nfs/dbraw/zinc/36/09/61/432360961.db2.gz OLQXXOILIUYQSS-QZTJIDSGSA-N 2 1 308.510 3.390 10 0 DGAEMP COCCC1(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)CCCCC1 ZINC000249846626 432360964 /nfs/dbraw/zinc/36/09/64/432360964.db2.gz OLQXXOILIUYQSS-QZTJIDSGSA-N 2 1 308.510 3.390 10 0 DGAEMP COCCC1(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)CCCCC1 ZINC000249846626 432360968 /nfs/dbraw/zinc/36/09/68/432360968.db2.gz OLQXXOILIUYQSS-QZTJIDSGSA-N 2 1 308.510 3.390 10 0 DGAEMP Cc1cccc(NC[C@@H]2CCN(Cc3cnc(Cl)s3)C2)n1 ZINC000175421046 432434238 /nfs/dbraw/zinc/43/42/38/432434238.db2.gz OBLSSFUPTLHLMH-LBPRGKRZSA-N 2 1 322.865 3.434 10 0 DGAEMP CC(C)c1csc([C@@H]2CCC[N@@H+](C[C@]3(C)CC[NH2+]C3)C2)n1 ZINC000261729413 432443546 /nfs/dbraw/zinc/44/35/46/432443546.db2.gz HCEMSZJXFBXHIZ-RHSMWYFYSA-N 2 1 307.507 3.446 10 0 DGAEMP CC(C)c1csc([C@@H]2CCC[N@@H+](C[C@@]3(C)CC[NH2+]C3)C2)n1 ZINC000261729412 432443830 /nfs/dbraw/zinc/44/38/30/432443830.db2.gz HCEMSZJXFBXHIZ-PBHICJAKSA-N 2 1 307.507 3.446 10 0 DGAEMP CN(Cc1ncc(-c2cccc(F)c2)o1)C[C@H]1CCC[N@@H+](C)C1 ZINC000175258873 432416757 /nfs/dbraw/zinc/41/67/57/432416757.db2.gz HMWYALBVRJRKGO-AWEZNQCLSA-N 2 1 317.408 3.254 10 0 DGAEMP Fc1cc(-c2ccncc2)ccc1C[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000262063162 432471732 /nfs/dbraw/zinc/47/17/32/432471732.db2.gz RIQQFEPQVLNYJA-LJQANCHMSA-N 2 1 311.404 3.073 10 0 DGAEMP Fc1cc(-c2ccncc2)ccc1C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000262063162 432471735 /nfs/dbraw/zinc/47/17/35/432471735.db2.gz RIQQFEPQVLNYJA-LJQANCHMSA-N 2 1 311.404 3.073 10 0 DGAEMP c1c2ccccc2sc1C[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1 ZINC000261920624 432460707 /nfs/dbraw/zinc/46/07/07/432460707.db2.gz KFTYZSFJUFXXCY-BRWVUGGUSA-N 2 1 316.470 3.148 10 0 DGAEMP Cc1ccccc1C(C)(C)C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1 ZINC000261948953 432464420 /nfs/dbraw/zinc/46/44/20/432464420.db2.gz NZTWGUVVMJYKAF-UHOSZYNNSA-N 2 1 316.489 3.019 10 0 DGAEMP Cc1cc2c(cc1C)[C@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)CCCO2 ZINC000158185033 432640128 /nfs/dbraw/zinc/64/01/28/432640128.db2.gz CGRWMFQMKLJAEB-SJLPKXTDSA-N 2 1 302.462 3.449 10 0 DGAEMP COc1ccccc1C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)C(C)C ZINC000158252472 432642459 /nfs/dbraw/zinc/64/24/59/432642459.db2.gz YDCOHYJRVIPTQC-SJLPKXTDSA-N 2 1 304.478 3.194 10 0 DGAEMP Cc1nccn1C[C@@H]1CCC[N@H+]1CCSc1ccccc1 ZINC000178296852 432716412 /nfs/dbraw/zinc/71/64/12/432716412.db2.gz WONZCQOEBXKCGG-INIZCTEOSA-N 2 1 301.459 3.448 10 0 DGAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CCSc1ccccc1 ZINC000178296852 432716417 /nfs/dbraw/zinc/71/64/17/432716417.db2.gz WONZCQOEBXKCGG-INIZCTEOSA-N 2 1 301.459 3.448 10 0 DGAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CCSc1ccccc1 ZINC000178296852 432716421 /nfs/dbraw/zinc/71/64/21/432716421.db2.gz WONZCQOEBXKCGG-INIZCTEOSA-N 2 1 301.459 3.448 10 0 DGAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CCOc1ccc(Cl)cc1 ZINC000178321031 432719563 /nfs/dbraw/zinc/71/95/63/432719563.db2.gz AWMVMAWTZKYXMC-MRXNPFEDSA-N 2 1 319.836 3.388 10 0 DGAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1CCOc1ccc(Cl)cc1 ZINC000178321031 432719567 /nfs/dbraw/zinc/71/95/67/432719567.db2.gz AWMVMAWTZKYXMC-MRXNPFEDSA-N 2 1 319.836 3.388 10 0 DGAEMP CCC[C@@H]([NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1)c1ccccn1 ZINC000159177226 432675144 /nfs/dbraw/zinc/67/51/44/432675144.db2.gz WBWFLNFRGHCAOD-QFBILLFUSA-N 2 1 317.477 3.013 10 0 DGAEMP Fc1ccc(OC2CC[NH+](CCC[NH+]3CCCC3)CC2)cc1 ZINC000161922999 432804903 /nfs/dbraw/zinc/80/49/03/432804903.db2.gz FTGDBIUCKSFYGS-UHFFFAOYSA-N 2 1 306.425 3.155 10 0 DGAEMP Cc1cccnc1CC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000296234187 432886605 /nfs/dbraw/zinc/88/66/05/432886605.db2.gz CGMKBUOMGYTFPS-RXVVDRJESA-N 2 1 323.484 3.433 10 0 DGAEMP Cc1ccccc1[C@@H](C)[N@H+]1CCCC[C@@H](N2CCN(C)CC2)C1 ZINC000245538423 432842065 /nfs/dbraw/zinc/84/20/65/432842065.db2.gz YZQJHUJZPTTZCU-RTBURBONSA-N 2 1 315.505 3.158 10 0 DGAEMP Cc1ccccc1[C@@H](C)[N@@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000245538423 432842068 /nfs/dbraw/zinc/84/20/68/432842068.db2.gz YZQJHUJZPTTZCU-RTBURBONSA-N 2 1 315.505 3.158 10 0 DGAEMP Cc1ccccc1[C@@H](C)[N@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000245538423 432842070 /nfs/dbraw/zinc/84/20/70/432842070.db2.gz YZQJHUJZPTTZCU-RTBURBONSA-N 2 1 315.505 3.158 10 0 DGAEMP CC[N@H+]1CC[C@H]([NH+](C)Cc2c[nH]nc2-c2ccccc2)[C@@H](C)C1 ZINC000245717438 432857326 /nfs/dbraw/zinc/85/73/26/432857326.db2.gz HGGFSEVUQHBQMP-YJBOKZPZSA-N 2 1 312.461 3.239 10 0 DGAEMP CC[NH+]1CC[C@H]([N@H+](C)Cc2c[nH]nc2-c2ccccc2)[C@@H](C)C1 ZINC000245717438 432857329 /nfs/dbraw/zinc/85/73/29/432857329.db2.gz HGGFSEVUQHBQMP-YJBOKZPZSA-N 2 1 312.461 3.239 10 0 DGAEMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2c[nH]nc2-c2ccccc2)[C@@H](C)C1 ZINC000245717438 432857331 /nfs/dbraw/zinc/85/73/31/432857331.db2.gz HGGFSEVUQHBQMP-YJBOKZPZSA-N 2 1 312.461 3.239 10 0 DGAEMP O[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245732492 432858884 /nfs/dbraw/zinc/85/88/84/432858884.db2.gz QKUOVHRDXZAMTG-UHZRXMQZSA-N 2 1 314.473 3.075 10 0 DGAEMP O[C@@H]1CCCC[C@@H]1[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245732479 432859397 /nfs/dbraw/zinc/85/93/97/432859397.db2.gz QKUOVHRDXZAMTG-LJDSDSDDSA-N 2 1 314.473 3.075 10 0 DGAEMP c1ncc(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)s1 ZINC000279482016 432974957 /nfs/dbraw/zinc/97/49/57/432974957.db2.gz UDEKDJXWDOLSGP-UHFFFAOYSA-N 2 1 302.447 3.056 10 0 DGAEMP CC(=O)c1c(C)cc(C)c(C[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)c1C ZINC000420378722 433187872 /nfs/dbraw/zinc/18/78/72/433187872.db2.gz QNWDPYVILADTRI-HXUWFJFHSA-N 2 1 314.473 3.390 10 0 DGAEMP CC(=O)c1c(C)cc(C)c(C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)c1C ZINC000420378722 433187874 /nfs/dbraw/zinc/18/78/74/433187874.db2.gz QNWDPYVILADTRI-HXUWFJFHSA-N 2 1 314.473 3.390 10 0 DGAEMP c1ccc([C@H]2CC[C@H](C[NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)O2)cc1 ZINC000377579103 433918786 /nfs/dbraw/zinc/91/87/86/433918786.db2.gz HYGCPDAWXKRZAD-WJFTUGDTSA-N 2 1 300.446 3.123 10 0 DGAEMP c1ccc(COCCC[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)cc1 ZINC000309976911 434102095 /nfs/dbraw/zinc/10/20/95/434102095.db2.gz RRVRNLWASKNQGQ-RBUKOAKNSA-N 2 1 302.462 3.057 10 0 DGAEMP Cc1cccnc1CC[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000295068214 434179678 /nfs/dbraw/zinc/17/96/78/434179678.db2.gz QUVMALBYGHDKTJ-UYAOXDASSA-N 2 1 323.484 3.433 10 0 DGAEMP CC[C@](C)(C[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12)OC ZINC000319950267 434233378 /nfs/dbraw/zinc/23/33/78/434233378.db2.gz VDQOAVIHXRUDHI-IYWMVGAKSA-N 2 1 316.489 3.302 10 0 DGAEMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1N[C@@H]1CCC[NH2+]CC1 ZINC000390575581 434361308 /nfs/dbraw/zinc/36/13/08/434361308.db2.gz CYUUMXRPURXKOO-MOPGFXCFSA-N 2 1 315.505 3.019 10 0 DGAEMP CC1(C)CN(Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000390575581 434361316 /nfs/dbraw/zinc/36/13/16/434361316.db2.gz CYUUMXRPURXKOO-MOPGFXCFSA-N 2 1 315.505 3.019 10 0 DGAEMP CCn1cncc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000390660151 434366824 /nfs/dbraw/zinc/36/68/24/434366824.db2.gz LOQFWDOCSMCUEF-YQQQUEKLSA-N 2 1 324.472 3.188 10 0 DGAEMP CCn1cncc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000390660151 434366834 /nfs/dbraw/zinc/36/68/34/434366834.db2.gz LOQFWDOCSMCUEF-YQQQUEKLSA-N 2 1 324.472 3.188 10 0 DGAEMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCCC[C@H]1O ZINC000390856425 434369081 /nfs/dbraw/zinc/36/90/81/434369081.db2.gz KRCFLGWDZWBXAW-QRVBRYPASA-N 2 1 316.489 3.180 10 0 DGAEMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCCC[C@H]1O ZINC000390856425 434369093 /nfs/dbraw/zinc/36/90/93/434369093.db2.gz KRCFLGWDZWBXAW-QRVBRYPASA-N 2 1 316.489 3.180 10 0 DGAEMP C[C@H](CCCC[NH3+])[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000390905424 434375466 /nfs/dbraw/zinc/37/54/66/434375466.db2.gz KLZPHKKLTAHEPF-VOBGVNJCSA-N 3 1 315.505 3.289 10 0 DGAEMP C[C@H](CCCC[NH3+])[NH2+]C1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000390905424 434375473 /nfs/dbraw/zinc/37/54/73/434375473.db2.gz KLZPHKKLTAHEPF-VOBGVNJCSA-N 2 1 315.505 3.289 10 0 DGAEMP C[C@H](Cc1ccc(Br)cc1)[NH2+][C@H]1CCC[NH2+][C@H]1C ZINC000396677211 434428760 /nfs/dbraw/zinc/42/87/60/434428760.db2.gz UFYORXPYDIBSJE-XUJVJEKNSA-N 2 1 311.267 3.110 10 0 DGAEMP Cc1ccc(CC[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)nc1 ZINC000399678047 434479324 /nfs/dbraw/zinc/47/93/24/434479324.db2.gz PCHHSPPGIBYHNN-NQIIRXRSSA-N 2 1 323.484 3.433 10 0 DGAEMP CCC[C@H](C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)OC ZINC000398113865 434455782 /nfs/dbraw/zinc/45/57/82/434455782.db2.gz DYNODGJBMMPAAB-UHOSZYNNSA-N 2 1 304.478 3.302 10 0 DGAEMP FC(F)(F)c1sccc1C[NH2+]C1CCN(C2CC2)CC1 ZINC000527633947 295107268 /nfs/dbraw/zinc/10/72/68/295107268.db2.gz RELOKWPRXRAZOK-UHFFFAOYSA-N 2 1 304.381 3.483 10 0 DGAEMP C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000528008350 295165888 /nfs/dbraw/zinc/16/58/88/295165888.db2.gz ZXUBEPQOOKBPMV-YYAJDYIMSA-N 2 1 302.462 3.053 10 0 DGAEMP COc1cc([C@H](C)[NH2+]CCc2c[nH+]cn2C)ccc1OC(C)C ZINC000459396569 434575496 /nfs/dbraw/zinc/57/54/96/434575496.db2.gz QGJCCGSCGDGPHG-AWEZNQCLSA-N 2 1 317.433 3.109 10 0 DGAEMP CC(C)(C)[C@@H](O)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000354166000 434648882 /nfs/dbraw/zinc/64/88/82/434648882.db2.gz VUEFJMLTWIVNRV-IPQPSQTFSA-N 2 1 316.489 3.179 10 0 DGAEMP c1ccc(OCCCCC[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)cc1 ZINC000579711716 435177075 /nfs/dbraw/zinc/17/70/75/435177075.db2.gz GGTVZRWXYDTOHV-IBGZPJMESA-N 2 1 302.462 3.311 10 0 DGAEMP C[N@H+]1CCC[C@H](C[NH2+][C@H](C[C@@H]2CCOC2)c2ccccc2)C1 ZINC000533640517 435250442 /nfs/dbraw/zinc/25/04/42/435250442.db2.gz UYIDFPGLGKEMDC-YQVWRLOYSA-N 2 1 302.462 3.086 10 0 DGAEMP CC(C)[C@@H](CO)C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000567773069 435353362 /nfs/dbraw/zinc/35/33/62/435353362.db2.gz AQZBVILJUYRWCW-WTGUMLROSA-N 2 1 316.489 3.036 10 0 DGAEMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H](O)CC(C)(C)C ZINC000483178820 435500233 /nfs/dbraw/zinc/50/02/33/435500233.db2.gz OPWNHHCOUYCRNT-NEWSRXKRSA-N 2 1 318.505 3.284 10 0 DGAEMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@@H](O)CC(C)(C)C ZINC000483178822 435502201 /nfs/dbraw/zinc/50/22/01/435502201.db2.gz OPWNHHCOUYCRNT-NZSAHSFTSA-N 2 1 318.505 3.284 10 0 DGAEMP CO[C@H](C)[C@@H](C)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000519484745 435682730 /nfs/dbraw/zinc/68/27/30/435682730.db2.gz ZAHWOGQPEXNPIF-YRGVVPAESA-N 2 1 302.462 3.195 10 0 DGAEMP c1cc2c(c([C@H]3CCC[N@H+]3CCC[NH+]3CCCC3)c1)OCCO2 ZINC000162910676 526437575 /nfs/dbraw/zinc/43/75/75/526437575.db2.gz QETSXZPWVFCKGV-QGZVFWFLSA-N 2 1 316.445 3.081 10 0 DGAEMP c1cc2c(c([C@H]3CCC[N@@H+]3CCC[NH+]3CCCC3)c1)OCCO2 ZINC000162910676 526437578 /nfs/dbraw/zinc/43/75/78/526437578.db2.gz QETSXZPWVFCKGV-QGZVFWFLSA-N 2 1 316.445 3.081 10 0 DGAEMP C[NH+](C)C1(C[NH2+]C2CC(OCc3ccccc3)C2)CCCC1 ZINC000493881099 536113392 /nfs/dbraw/zinc/11/33/92/536113392.db2.gz CKXWUBFOQNYVGZ-UHFFFAOYSA-N 2 1 302.462 3.198 10 0 DGAEMP O[C@@H](C[NH2+][C@H](c1ccc(Cl)cc1)C1CC1)C[NH+]1CCCCC1 ZINC000180044700 546141266 /nfs/dbraw/zinc/14/12/66/546141266.db2.gz DKHHZRMFOCPZOX-ROUUACIJSA-N 2 1 322.880 3.228 10 0 DGAEMP C[C@@H]1C[C@@H]([NH2+]CC[C@H]2CCCO2)CC[N@@H+]1Cc1ccccc1 ZINC000379656824 546735508 /nfs/dbraw/zinc/73/55/08/546735508.db2.gz QPXQOSUUPRUHHR-NZSAHSFTSA-N 2 1 302.462 3.198 10 0 DGAEMP C[C@@H]1C[C@@H]([NH2+]CC[C@H]2CCCO2)CC[N@H+]1Cc1ccccc1 ZINC000379656824 546735514 /nfs/dbraw/zinc/73/55/14/546735514.db2.gz QPXQOSUUPRUHHR-NZSAHSFTSA-N 2 1 302.462 3.198 10 0 DGAEMP Cc1cc(N[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)cc[nH+]1 ZINC000381907052 546740181 /nfs/dbraw/zinc/74/01/81/546740181.db2.gz YLNXIWZNLYTVHG-YZGWKJHDSA-N 2 1 307.441 3.134 10 0 DGAEMP C[C@H]([NH2+]CC[C@@H]1CCCO1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000381808176 546741122 /nfs/dbraw/zinc/74/11/22/546741122.db2.gz XZNVJWXWJDGJLX-UHOSZYNNSA-N 2 1 302.462 3.056 10 0 DGAEMP CC[NH+](CC)C[C@H](C)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000482511991 546911456 /nfs/dbraw/zinc/91/14/56/546911456.db2.gz QFHCLROTVYYDBN-WSTZPKSXSA-N 2 1 317.521 3.217 10 0 DGAEMP [NH3+]CCC1(Cl)C[NH+](C(c2ccccc2)c2ccccc2)C1 ZINC000675058160 548148680 /nfs/dbraw/zinc/14/86/80/548148680.db2.gz VCQDYTYYNSIHTA-UHFFFAOYSA-N 2 1 300.833 3.418 10 0 DGAEMP CC[N@H+]1CC[C@H](C[NH2+]Cc2ccc3c(c2)CCC(C)(C)O3)C1 ZINC000731677418 574556522 /nfs/dbraw/zinc/55/65/22/574556522.db2.gz PKDCJHRYMUETLZ-MRXNPFEDSA-N 2 1 302.462 3.222 10 0 DGAEMP C[C@H]1SCC[C@@H]1[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000398155220 575960713 /nfs/dbraw/zinc/96/07/13/575960713.db2.gz ZQPOPKGGIQHJCC-LMSBXDPUSA-N 2 1 304.503 3.381 10 0 DGAEMP C[C@H]1SCC[C@@H]1[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000398155220 575960716 /nfs/dbraw/zinc/96/07/16/575960716.db2.gz ZQPOPKGGIQHJCC-LMSBXDPUSA-N 2 1 304.503 3.381 10 0 DGAEMP C[C@H]([NH2+]C[C@]1(C)CC[N@@H+](Cc2ccccc2)C1)[C@H]1CCCCO1 ZINC000705995619 660841463 /nfs/dbraw/zinc/84/14/63/660841463.db2.gz UZNOKAWXGXPOKZ-SXLOBPIMSA-N 2 1 316.489 3.446 10 0 DGAEMP COC[C@H]([NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2)C(C)C ZINC000716620032 661225090 /nfs/dbraw/zinc/22/50/90/661225090.db2.gz KKKCLGCPCQWEMR-YRPNKDGESA-N 2 1 316.489 3.300 10 0 DGAEMP CCC[C@](C)(O)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716619607 661225110 /nfs/dbraw/zinc/22/51/10/661225110.db2.gz FXAUQQXZQCIIEO-YRPNKDGESA-N 2 1 316.489 3.180 10 0 DGAEMP CO[C@H](C)CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716670709 661226116 /nfs/dbraw/zinc/22/61/16/661226116.db2.gz DBEBDSKXDALESC-LULLPPNCSA-N 2 1 302.462 3.054 10 0 DGAEMP C[C@H]([NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2)c1cn[nH]c1 ZINC000716643446 661226252 /nfs/dbraw/zinc/22/62/52/661226252.db2.gz GCFQEPIGTLVNAT-CBVHJVASSA-N 2 1 310.445 3.113 10 0 DGAEMP C[C@@H](C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2)C[C@H](C)O ZINC000716680301 661226487 /nfs/dbraw/zinc/22/64/87/661226487.db2.gz HVYHKFUKUPPXAL-QVHQYWGISA-N 2 1 316.489 3.036 10 0 DGAEMP CC[C@H](C[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2)OC ZINC000716674623 661226574 /nfs/dbraw/zinc/22/65/74/661226574.db2.gz ZBIBVQRDGSAUPT-CADBVGFASA-N 2 1 302.462 3.054 10 0 DGAEMP C[C@H]([NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2)c1cnn(C)c1 ZINC000716672786 661226676 /nfs/dbraw/zinc/22/66/76/661226676.db2.gz UILDZPQEQOMRAB-UHMOLFJZSA-N 2 1 324.472 3.124 10 0 DGAEMP CC[C@@H](C[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2)OC ZINC000716674627 661226720 /nfs/dbraw/zinc/22/67/20/661226720.db2.gz ZBIBVQRDGSAUPT-VJANTYMQSA-N 2 1 302.462 3.054 10 0 DGAEMP C[C@@H]1CC[C@@H](C[NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)O1 ZINC000716683831 661227374 /nfs/dbraw/zinc/22/73/74/661227374.db2.gz SPNYNDCGCYCRSK-HTDHLNIYSA-N 2 1 314.473 3.197 10 0 DGAEMP C[C@]1(C[NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)CCOC1 ZINC000716682202 661227515 /nfs/dbraw/zinc/22/75/15/661227515.db2.gz NXUNVYDNFNBCAA-LWYYNNOASA-N 2 1 314.473 3.056 10 0 DGAEMP COC[C@H]1C[C@@H]([NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)C1 ZINC000716699878 661227554 /nfs/dbraw/zinc/22/75/54/661227554.db2.gz MOURXUNBNFVFNM-OMZCGLGVSA-N 2 1 314.473 3.054 10 0 DGAEMP CC[C@@H](O)CCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716681580 661227571 /nfs/dbraw/zinc/22/75/71/661227571.db2.gz MFECBEKTEBGYSH-LWYYNNOASA-N 2 1 316.489 3.180 10 0 DGAEMP COCC[N@@H+]1CCC[C@@]2(CC[NH+](C/C(C)=C\c3ccco3)C2)C1 ZINC000229468796 659261789 /nfs/dbraw/zinc/26/17/89/659261789.db2.gz WQNJPFGVFFUXFW-BLMOFCDVSA-N 2 1 318.461 3.117 10 0 DGAEMP COCC[N@H+]1CCC[C@@]2(CC[NH+](C/C(C)=C\c3ccco3)C2)C1 ZINC000229468796 659261795 /nfs/dbraw/zinc/26/17/95/659261795.db2.gz WQNJPFGVFFUXFW-BLMOFCDVSA-N 2 1 318.461 3.117 10 0 DGAEMP COCC[NH+]1CCC[C@@]2(CC[N@H+](C/C(C)=C\c3ccco3)C2)C1 ZINC000229468796 659261798 /nfs/dbraw/zinc/26/17/98/659261798.db2.gz WQNJPFGVFFUXFW-BLMOFCDVSA-N 2 1 318.461 3.117 10 0 DGAEMP COCC[NH+]1CCC[C@@]2(CC[N@@H+](C/C(C)=C\c3ccco3)C2)C1 ZINC000229468796 659261804 /nfs/dbraw/zinc/26/18/04/659261804.db2.gz WQNJPFGVFFUXFW-BLMOFCDVSA-N 2 1 318.461 3.117 10 0 DGAEMP c1[nH]nc2c1[C@H]([NH2+]C1CC[NH+](C3CCCCC3)CC1)CCC2 ZINC000353524192 659995570 /nfs/dbraw/zinc/99/55/70/659995570.db2.gz ZSDROVYMIZVXRB-QGZVFWFLSA-N 2 1 302.466 3.174 10 0 DGAEMP CO[C@@H]1CCC[C@H]([NH2+]C[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000380978758 685155079 /nfs/dbraw/zinc/15/50/79/685155079.db2.gz HTIMCGSMZJBRQF-XUVXKRRUSA-N 2 1 316.489 3.446 10 0 DGAEMP CCC[C@@H](C)C[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000390723580 685204558 /nfs/dbraw/zinc/20/45/58/685204558.db2.gz ZVZUBYZUEMHAME-IEBWSBKVSA-N 2 1 304.478 3.303 10 0 DGAEMP CCC[C@@H](C)C[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000390723580 685204564 /nfs/dbraw/zinc/20/45/64/685204564.db2.gz ZVZUBYZUEMHAME-IEBWSBKVSA-N 2 1 304.478 3.303 10 0 DGAEMP CO[C@@H]1CCC[C@H]1[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000390889322 685207428 /nfs/dbraw/zinc/20/74/28/685207428.db2.gz ZXNAVWACODZHOZ-GUDVDZBRSA-N 2 1 316.489 3.444 10 0 DGAEMP CO[C@@H]1CCC[C@H]1[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000390889322 685207433 /nfs/dbraw/zinc/20/74/33/685207433.db2.gz ZXNAVWACODZHOZ-GUDVDZBRSA-N 2 1 316.489 3.444 10 0 DGAEMP CC(C)[N@H+](C)CCC[NH2+]Cc1cc(F)cc(Br)c1 ZINC000226392990 1176198632 /nfs/dbraw/zinc/19/86/32/1176198632.db2.gz QSHVGSOCJGDXIT-UHFFFAOYSA-N 2 1 317.246 3.408 10 0 DGAEMP CC(C)[N@@H+](C)CCC[NH2+]Cc1cc(F)cc(Br)c1 ZINC000226392990 1176198637 /nfs/dbraw/zinc/19/86/37/1176198637.db2.gz QSHVGSOCJGDXIT-UHFFFAOYSA-N 2 1 317.246 3.408 10 0 DGAEMP CC(C)n1cc(C[NH2+]CC[C@@H](C)[N@H+](C)Cc2ccccc2)cn1 ZINC000080206452 1197045317 /nfs/dbraw/zinc/04/53/17/1197045317.db2.gz RNZKDMIVWWYOSY-QGZVFWFLSA-N 2 1 314.477 3.464 10 0 DGAEMP CC(C)n1cc(C[NH2+]CC[C@@H](C)[N@@H+](C)Cc2ccccc2)cn1 ZINC000080206452 1197045322 /nfs/dbraw/zinc/04/53/22/1197045322.db2.gz RNZKDMIVWWYOSY-QGZVFWFLSA-N 2 1 314.477 3.464 10 0 DGAEMP CO[C@@H]1CCC[C@@H]1[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309788824 231104590 /nfs/dbraw/zinc/10/45/90/231104590.db2.gz OCLZTIHOVBZSII-OQIJWPOYSA-N 2 1 302.462 3.054 10 0 DGAEMP c1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH2+]C[C@H]4CCSC4)[C@H]3C2)cc1 ZINC000278745192 214371627 /nfs/dbraw/zinc/37/16/27/214371627.db2.gz MTDWWWCRMSPKJA-XWSJACJDSA-N 2 1 316.514 3.240 10 0 DGAEMP Nc1ccccc1CC[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000142849934 186032809 /nfs/dbraw/zinc/03/28/09/186032809.db2.gz CNYQVNWECNEWJI-UHFFFAOYSA-N 2 1 309.457 3.066 10 0 DGAEMP Cc1ccccc1[C@@H](C)[NH+]1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000130623055 432028025 /nfs/dbraw/zinc/02/80/25/432028025.db2.gz LQPNWSMSYTUGIL-RTBURBONSA-N 2 1 315.505 3.158 10 0 DGAEMP Cc1nc(C)c(C[N@H+]2CC[C@@H](CNc3cccc(C)[nH+]3)C2)s1 ZINC000172771193 198147524 /nfs/dbraw/zinc/14/75/24/198147524.db2.gz GTZHWQPQGZBFOJ-HNNXBMFYSA-N 2 1 316.474 3.397 10 0 DGAEMP C[C@H]1C[C@H]([NH2+]CCc2coc(-c3ccc(F)cc3)n2)CC[N@H+]1C ZINC000179454928 199038543 /nfs/dbraw/zinc/03/85/43/199038543.db2.gz NOVYGLISCXYFGQ-XJKSGUPXSA-N 2 1 317.408 3.096 10 0 DGAEMP C[NH+](C)CCC1CC[NH+](Cc2c[nH]c(-c3ccccc3)n2)CC1 ZINC000179551025 199054214 /nfs/dbraw/zinc/05/42/14/199054214.db2.gz CTCXARIKNSITPD-UHFFFAOYSA-N 2 1 312.461 3.240 10 0 DGAEMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)[C@@H](C)CCc2ccccc2)CC1 ZINC000170941639 432087895 /nfs/dbraw/zinc/08/78/95/432087895.db2.gz REKVFMLSPCCWFQ-ZWKOTPCHSA-N 2 1 318.505 3.032 10 0 DGAEMP Fc1cc(C[NH2+]CCC[NH+]2CCCC2)ccc1Br ZINC000135056361 432095744 /nfs/dbraw/zinc/09/57/44/432095744.db2.gz JWUNRWQKEJMYEV-UHFFFAOYSA-N 2 1 315.230 3.164 10 0 DGAEMP c1c2cccnc2oc1C[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000449295286 240115844 /nfs/dbraw/zinc/11/58/44/240115844.db2.gz RFLOQKGWKXVWAP-KRWDZBQOSA-N 2 1 321.424 3.440 10 0 DGAEMP c1c2cccnc2oc1C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000449295286 240115848 /nfs/dbraw/zinc/11/58/48/240115848.db2.gz RFLOQKGWKXVWAP-KRWDZBQOSA-N 2 1 321.424 3.440 10 0 DGAEMP CC(C)Cc1ncc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)s1 ZINC000092043724 193146760 /nfs/dbraw/zinc/14/67/60/193146760.db2.gz KKOHSBQKSXBOMD-GDBMZVCRSA-N 2 1 307.507 3.258 10 0 DGAEMP CC(C)Cc1ncc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)s1 ZINC000092043724 193146761 /nfs/dbraw/zinc/14/67/61/193146761.db2.gz KKOHSBQKSXBOMD-GDBMZVCRSA-N 2 1 307.507 3.258 10 0 DGAEMP CC(C)Cc1ncc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)s1 ZINC000092043724 193146763 /nfs/dbraw/zinc/14/67/63/193146763.db2.gz KKOHSBQKSXBOMD-GDBMZVCRSA-N 2 1 307.507 3.258 10 0 DGAEMP CC(C)Cc1ncc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)s1 ZINC000092043724 193146764 /nfs/dbraw/zinc/14/67/64/193146764.db2.gz KKOHSBQKSXBOMD-GDBMZVCRSA-N 2 1 307.507 3.258 10 0 DGAEMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCC[C@@H]1C[C@H](O)c1ccccc1 ZINC000268587484 432108035 /nfs/dbraw/zinc/10/80/35/432108035.db2.gz UXOURYIPDJANRL-AQNXPRMDSA-N 2 1 316.489 3.449 10 0 DGAEMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CCC[C@@H]1C[C@H](O)c1ccccc1 ZINC000268587484 432108040 /nfs/dbraw/zinc/10/80/40/432108040.db2.gz UXOURYIPDJANRL-AQNXPRMDSA-N 2 1 316.489 3.449 10 0 DGAEMP C[NH+]1CCCC[C@@H]1CC[N@H+]1CCC[C@@H]1C[C@H](O)c1ccccc1 ZINC000268587484 432108044 /nfs/dbraw/zinc/10/80/44/432108044.db2.gz UXOURYIPDJANRL-AQNXPRMDSA-N 2 1 316.489 3.449 10 0 DGAEMP C[N@H+](Cc1cccc(Br)c1)C[C@@]1(C)CCC[NH2+]C1 ZINC000062862381 184257068 /nfs/dbraw/zinc/25/70/68/184257068.db2.gz GRPKBUIVTOKQHP-HNNXBMFYSA-N 2 1 311.267 3.271 10 0 DGAEMP C[N@@H+](Cc1cccc(Br)c1)C[C@@]1(C)CCC[NH2+]C1 ZINC000062862381 184257070 /nfs/dbraw/zinc/25/70/70/184257070.db2.gz GRPKBUIVTOKQHP-HNNXBMFYSA-N 2 1 311.267 3.271 10 0 DGAEMP CC[N@H+]1CC[C@@H]([NH+](C)CCCc2ccccc2OC)[C@@H](C)C1 ZINC000248553912 285004844 /nfs/dbraw/zinc/00/48/44/285004844.db2.gz LDONNBJCVKGORR-FUHWJXTLSA-N 2 1 304.478 3.290 10 0 DGAEMP CC[NH+]1CC[C@@H]([N@H+](C)CCCc2ccccc2OC)[C@@H](C)C1 ZINC000248553912 285004846 /nfs/dbraw/zinc/00/48/46/285004846.db2.gz LDONNBJCVKGORR-FUHWJXTLSA-N 2 1 304.478 3.290 10 0 DGAEMP CC[NH+]1CC[C@@H]([N@@H+](C)CCCc2ccccc2OC)[C@@H](C)C1 ZINC000248553912 285004849 /nfs/dbraw/zinc/00/48/49/285004849.db2.gz LDONNBJCVKGORR-FUHWJXTLSA-N 2 1 304.478 3.290 10 0 DGAEMP CC[N@H+]1CC[C@@H]([NH+](C)CCCc2ccc3c(c2)CCO3)[C@@H](C)C1 ZINC000248662791 285016319 /nfs/dbraw/zinc/01/63/19/285016319.db2.gz HIBGJUFSPLGYIF-QFBILLFUSA-N 2 1 316.489 3.216 10 0 DGAEMP CC[NH+]1CC[C@@H]([N@H+](C)CCCc2ccc3c(c2)CCO3)[C@@H](C)C1 ZINC000248662791 285016320 /nfs/dbraw/zinc/01/63/20/285016320.db2.gz HIBGJUFSPLGYIF-QFBILLFUSA-N 2 1 316.489 3.216 10 0 DGAEMP CC[NH+]1CC[C@@H]([N@@H+](C)CCCc2ccc3c(c2)CCO3)[C@@H](C)C1 ZINC000248662791 285016322 /nfs/dbraw/zinc/01/63/22/285016322.db2.gz HIBGJUFSPLGYIF-QFBILLFUSA-N 2 1 316.489 3.216 10 0 DGAEMP CCC[N@@H+](C)C[C@@H]1CCN(C/C=C\c2ccccc2OC)C1 ZINC000255196574 285137412 /nfs/dbraw/zinc/13/74/12/285137412.db2.gz QZQOABMYOGCQBJ-KMDWOBIYSA-N 2 1 302.462 3.372 10 0 DGAEMP C[N@@H+](CCCC1CCCC1)C1CCN(CCn2cccn2)CC1 ZINC000120487652 195175938 /nfs/dbraw/zinc/17/59/38/195175938.db2.gz WRVFTDMLEVVTMJ-UHFFFAOYSA-N 2 1 318.509 3.250 10 0 DGAEMP Cn1cc[nH+]c1CC1CC[NH+](CC2=Cc3ccccc3OC2)CC1 ZINC000121782250 195345962 /nfs/dbraw/zinc/34/59/62/195345962.db2.gz WEDOAJPRMHQJSP-UHFFFAOYSA-N 2 1 323.440 3.151 10 0 DGAEMP Cc1ccc(C[N@@H+]2CCCC[C@@H]2CC[NH3+])c(Br)c1 ZINC000164119036 132130193 /nfs/dbraw/zinc/13/01/93/132130193.db2.gz CHRMIDQHAGJAIL-CQSZACIVSA-N 2 1 311.267 3.461 10 0 DGAEMP Cc1ccc(C[N@H+]2CCCC[C@@H]2CC[NH3+])c(Br)c1 ZINC000164119036 132130194 /nfs/dbraw/zinc/13/01/94/132130194.db2.gz CHRMIDQHAGJAIL-CQSZACIVSA-N 2 1 311.267 3.461 10 0 DGAEMP CCSCC[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000393905880 400279840 /nfs/dbraw/zinc/27/98/40/400279840.db2.gz MJDLAJRUYWENCN-KZNAEPCWSA-N 2 1 304.503 3.240 10 0 DGAEMP C[NH2+]CCOCC[N@@H+](C)Cc1sc2ccccc2c1Cl ZINC000629568329 400979781 /nfs/dbraw/zinc/97/97/81/400979781.db2.gz JIXGNDVPCBGBPP-UHFFFAOYSA-N 2 1 312.866 3.223 10 0 DGAEMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCOC1CCCC1 ZINC000364458800 287029520 /nfs/dbraw/zinc/02/95/20/287029520.db2.gz PEAXHQYIIVLNIE-PXNSSMCTSA-N 2 1 316.489 3.446 10 0 DGAEMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCOC1CCCC1 ZINC000364458800 287029521 /nfs/dbraw/zinc/02/95/21/287029521.db2.gz PEAXHQYIIVLNIE-PXNSSMCTSA-N 2 1 316.489 3.446 10 0 DGAEMP COc1cc(C[NH+]2CCC(Cc3[nH+]ccn3C)CC2)ccc1C ZINC000193910707 165334626 /nfs/dbraw/zinc/33/46/26/165334626.db2.gz XEORHEKGSSHUQC-UHFFFAOYSA-N 2 1 313.445 3.192 10 0 DGAEMP CC[N@H+]1CC[C@H]([NH+](C)CCCc2ccccc2OC)[C@H](C)C1 ZINC000182625315 432211969 /nfs/dbraw/zinc/21/19/69/432211969.db2.gz LDONNBJCVKGORR-AEFFLSMTSA-N 2 1 304.478 3.290 10 0 DGAEMP CC[NH+]1CC[C@H]([N@H+](C)CCCc2ccccc2OC)[C@H](C)C1 ZINC000182625315 432211970 /nfs/dbraw/zinc/21/19/70/432211970.db2.gz LDONNBJCVKGORR-AEFFLSMTSA-N 2 1 304.478 3.290 10 0 DGAEMP CC[NH+]1CC[C@H]([N@@H+](C)CCCc2ccccc2OC)[C@H](C)C1 ZINC000182625315 432211973 /nfs/dbraw/zinc/21/19/73/432211973.db2.gz LDONNBJCVKGORR-AEFFLSMTSA-N 2 1 304.478 3.290 10 0 DGAEMP CC1=CCC[C@H](C)[C@@H]1C[N@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000191068043 432216912 /nfs/dbraw/zinc/21/69/12/432216912.db2.gz GZLYGCRGVSCNCX-YQVWRLOYSA-N 2 1 308.510 3.003 10 0 DGAEMP C[C@H]([NH2+]C[C@H](O)C1CCCCC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000191092144 432219749 /nfs/dbraw/zinc/21/97/49/432219749.db2.gz USPIEEITWOSUPT-IEZWGBDMSA-N 2 1 308.510 3.170 10 0 DGAEMP COC(C)(C)CC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000346613309 264065382 /nfs/dbraw/zinc/06/53/82/264065382.db2.gz MFDODRNYTIMEOU-AEFFLSMTSA-N 2 1 304.478 3.302 10 0 DGAEMP C[NH+](C)CCCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000347362749 264206530 /nfs/dbraw/zinc/20/65/30/264206530.db2.gz KRDDLKADEBMDMN-IHWFROFDSA-N 3 1 315.505 3.113 10 0 DGAEMP C[NH+](C)CCCC[NH2+]C1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000347362749 264206532 /nfs/dbraw/zinc/20/65/32/264206532.db2.gz KRDDLKADEBMDMN-IHWFROFDSA-N 2 1 315.505 3.113 10 0 DGAEMP Cc1ccccc1[C@H](C)[N@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000247942488 432254600 /nfs/dbraw/zinc/25/46/00/432254600.db2.gz DCTRXTLCOVIBPU-IRXDYDNUSA-N 2 1 304.478 3.081 10 0 DGAEMP OCCCCC[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000247990438 432259757 /nfs/dbraw/zinc/25/97/57/432259757.db2.gz JIMKBDZDNCNMFA-VQTJNVASSA-N 2 1 316.489 3.136 10 0 DGAEMP OCCCCC[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000247990438 432259763 /nfs/dbraw/zinc/25/97/63/432259763.db2.gz JIMKBDZDNCNMFA-VQTJNVASSA-N 2 1 316.489 3.136 10 0 DGAEMP OCCCCC[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000247990438 432259767 /nfs/dbraw/zinc/25/97/67/432259767.db2.gz JIMKBDZDNCNMFA-VQTJNVASSA-N 2 1 316.489 3.136 10 0 DGAEMP CCCn1cc[nH+]c1CCC[N@H+](C)C[C@@](C)(O)c1ccccc1 ZINC000191479692 276059251 /nfs/dbraw/zinc/05/92/51/276059251.db2.gz QKRHGIUCOSYLGB-LJQANCHMSA-N 2 1 315.461 3.065 10 0 DGAEMP CCCn1cc[nH+]c1CCC[N@@H+](C)C[C@@](C)(O)c1ccccc1 ZINC000191479692 276059252 /nfs/dbraw/zinc/05/92/52/276059252.db2.gz QKRHGIUCOSYLGB-LJQANCHMSA-N 2 1 315.461 3.065 10 0 DGAEMP CC[NH+](CC)CC1CCN(C[C@@H]2CCCC[N@H+]2C(C)C)CC1 ZINC000450265004 276095405 /nfs/dbraw/zinc/09/54/05/276095405.db2.gz WCSITTRWFKJDAW-IBGZPJMESA-N 2 1 309.542 3.303 10 0 DGAEMP CC[NH+](CC)CC1CC[NH+](C[C@@H]2CCCCN2C(C)C)CC1 ZINC000450265004 276095406 /nfs/dbraw/zinc/09/54/06/276095406.db2.gz WCSITTRWFKJDAW-IBGZPJMESA-N 2 1 309.542 3.303 10 0 DGAEMP CC(C)C[N@@H+](C[C@H]1CCC[NH2+]C1)[C@H]1CCCc2cccnc21 ZINC000261937033 277380835 /nfs/dbraw/zinc/38/08/35/277380835.db2.gz MGSBXBHOGLBZRZ-WMZOPIPTSA-N 2 1 301.478 3.417 10 0 DGAEMP C[N@H+]1CCCC[C@@H]1CN1CC[NH+](CC2CCCCCC2)CC1 ZINC000120039450 431721975 /nfs/dbraw/zinc/72/19/75/431721975.db2.gz KSWNUNTZHSCMPB-LJQANCHMSA-N 2 1 307.526 3.059 10 0 DGAEMP Cn1ccnc1[C@H]([NH2+]Cc1ccc(C[NH+]2CCCC2)cc1)C1CC1 ZINC000127530596 431975346 /nfs/dbraw/zinc/97/53/46/431975346.db2.gz WGNZAFQEILREEY-LJQANCHMSA-N 2 1 324.472 3.257 10 0 DGAEMP Cc1cc2ncn(C[C@@H](O)Cn3cc[nH+]c3C(C)C)c2cc1C ZINC000151892077 432287125 /nfs/dbraw/zinc/28/71/25/432287125.db2.gz CAMFMTIMWFXXLH-HNNXBMFYSA-N 2 1 312.417 3.034 10 0 DGAEMP Cc1cc2ncn(C[C@H](O)Cn3cc[nH+]c3C(C)C)c2cc1C ZINC000151891981 432287173 /nfs/dbraw/zinc/28/71/73/432287173.db2.gz CAMFMTIMWFXXLH-OAHLLOKOSA-N 2 1 312.417 3.034 10 0 DGAEMP Clc1cccc(C[N@H+]2CC[C@@H](CNc3ccccn3)C2)n1 ZINC000173779275 432299661 /nfs/dbraw/zinc/29/96/61/432299661.db2.gz JBDXTFVIEANCIJ-ZDUSSCGKSA-N 2 1 302.809 3.064 10 0 DGAEMP Clc1cccc(CN2CC[C@@H](CNc3ccccn3)C2)n1 ZINC000173779275 432299664 /nfs/dbraw/zinc/29/96/64/432299664.db2.gz JBDXTFVIEANCIJ-ZDUSSCGKSA-N 2 1 302.809 3.064 10 0 DGAEMP CN(C)c1ccccc1C[N@H+]1CC[C@@H](CNc2ccccn2)C1 ZINC000173779554 432300160 /nfs/dbraw/zinc/30/01/60/432300160.db2.gz FLYGMLSZRYJHAU-INIZCTEOSA-N 2 1 310.445 3.082 10 0 DGAEMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(N(C)C(C)C)nc2)[C@@H](C)C1 ZINC000248893625 432327579 /nfs/dbraw/zinc/32/75/79/432327579.db2.gz SRCULRANRLEXKU-FUHWJXTLSA-N 2 1 318.509 3.088 10 0 DGAEMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(N(C)C(C)C)nc2)[C@@H](C)C1 ZINC000248893625 432327582 /nfs/dbraw/zinc/32/75/82/432327582.db2.gz SRCULRANRLEXKU-FUHWJXTLSA-N 2 1 318.509 3.088 10 0 DGAEMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(N(C)C(C)C)nc2)[C@@H](C)C1 ZINC000248893625 432327586 /nfs/dbraw/zinc/32/75/86/432327586.db2.gz SRCULRANRLEXKU-FUHWJXTLSA-N 2 1 318.509 3.088 10 0 DGAEMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(N(C)C(C)C)nc2)[C@@H](C)C1 ZINC000248893625 432327588 /nfs/dbraw/zinc/32/75/88/432327588.db2.gz SRCULRANRLEXKU-FUHWJXTLSA-N 2 1 318.509 3.088 10 0 DGAEMP CC1=CCC[C@H](C)[C@H]1C[NH+]1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000249095578 432338107 /nfs/dbraw/zinc/33/81/07/432338107.db2.gz OFGLVCMSRITILX-ZCNNSNEGSA-N 2 1 319.537 3.081 10 0 DGAEMP CCCC[C@@H](CC)C[N@@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000183640788 432311388 /nfs/dbraw/zinc/31/13/88/432311388.db2.gz PMELJYOIOSTPPL-MOPGFXCFSA-N 2 1 309.542 3.305 10 0 DGAEMP CCCC[C@@H](CC)C[N@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000183640788 432311389 /nfs/dbraw/zinc/31/13/89/432311389.db2.gz PMELJYOIOSTPPL-MOPGFXCFSA-N 2 1 309.542 3.305 10 0 DGAEMP COc1ccc([C@H](C)C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)cc1 ZINC000252733727 432389024 /nfs/dbraw/zinc/38/90/24/432389024.db2.gz BKUNYJQAHIZMKE-AYBZRNKSSA-N 2 1 302.462 3.215 10 0 DGAEMP COc1ccc([C@H](C)C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)cc1 ZINC000252733727 432389026 /nfs/dbraw/zinc/38/90/26/432389026.db2.gz BKUNYJQAHIZMKE-AYBZRNKSSA-N 2 1 302.462 3.215 10 0 DGAEMP COc1ccc([C@H](C)C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)cc1 ZINC000252733727 432389031 /nfs/dbraw/zinc/38/90/31/432389031.db2.gz BKUNYJQAHIZMKE-AYBZRNKSSA-N 2 1 302.462 3.215 10 0 DGAEMP COc1ccc(C)cc1C[N@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261629723 432437778 /nfs/dbraw/zinc/43/77/78/432437778.db2.gz DVXNHGHKBKYETI-MOPGFXCFSA-N 2 1 310.441 3.178 10 0 DGAEMP COc1ccccc1/C=C/C[N@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261686468 432440144 /nfs/dbraw/zinc/44/01/44/432440144.db2.gz IEAPNRZJIGXWTL-OCMBFUTKSA-N 2 1 322.452 3.383 10 0 DGAEMP CC(C)c1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)cc1 ZINC000261837690 432454215 /nfs/dbraw/zinc/45/42/15/432454215.db2.gz ACGWFOQBUHJHHI-OTWHNJEPSA-N 2 1 302.462 3.057 10 0 DGAEMP CCC[N@@H+](C[C@@]1(C)CC[NH2+]C1)[C@H](C)CC(=O)Nc1ccccc1 ZINC000262043435 432471548 /nfs/dbraw/zinc/47/15/48/432471548.db2.gz PNDNQEJFBCUYAO-APWZRJJASA-N 2 1 317.477 3.115 10 0 DGAEMP CCC[N@@H+](C[C@@]1(C)CC[NH2+]C1)[C@@H](C)CC(=O)Nc1ccccc1 ZINC000262043438 432471640 /nfs/dbraw/zinc/47/16/40/432471640.db2.gz PNDNQEJFBCUYAO-LPHOPBHVSA-N 2 1 317.477 3.115 10 0 DGAEMP C[C@]1(C[N@H+]2CCC[C@@H](COc3ccccc3Cl)C2)CC[NH2+]C1 ZINC000261924614 432461175 /nfs/dbraw/zinc/46/11/75/432461175.db2.gz BZUFAFRMPPOAOV-QAPCUYQASA-N 2 1 322.880 3.430 10 0 DGAEMP CC(C)CC1(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)CCCC1 ZINC000261938382 432461888 /nfs/dbraw/zinc/46/18/88/432461888.db2.gz MMSVLHORGSEXLU-KURKYZTESA-N 2 1 308.510 3.340 10 0 DGAEMP C[N@H+](Cc1ccccc1OC(F)(F)F)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000262005809 432467332 /nfs/dbraw/zinc/46/73/32/432467332.db2.gz VUVQNUSTVNTTDX-PBWFPOADSA-N 2 1 314.351 3.300 10 0 DGAEMP C[N@@H+](Cc1ccccc1OC(F)(F)F)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000262005809 432467337 /nfs/dbraw/zinc/46/73/37/432467337.db2.gz VUVQNUSTVNTTDX-PBWFPOADSA-N 2 1 314.351 3.300 10 0 DGAEMP CC(C)(C)c1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)cc1 ZINC000261990218 432468229 /nfs/dbraw/zinc/46/82/29/432468229.db2.gz SPSLXJYTWZRRJX-OTWHNJEPSA-N 2 1 316.489 3.231 10 0 DGAEMP C[C@@H]1C[C@H]([NH+](C)Cc2cccc(Br)c2)CC[N@@H+]1C ZINC000177059285 432581268 /nfs/dbraw/zinc/58/12/68/432581268.db2.gz KJKRGAWHIKMKQI-IUODEOHRSA-N 2 1 311.267 3.364 10 0 DGAEMP C[C@@H]1C[C@H]([NH+](C)Cc2cccc(Br)c2)CC[N@H+]1C ZINC000177059285 432581272 /nfs/dbraw/zinc/58/12/72/432581272.db2.gz KJKRGAWHIKMKQI-IUODEOHRSA-N 2 1 311.267 3.364 10 0 DGAEMP C[C@@H]1C[C@H]([N@H+](C)Cc2cccc(Br)c2)CC[NH+]1C ZINC000177059285 432581279 /nfs/dbraw/zinc/58/12/79/432581279.db2.gz KJKRGAWHIKMKQI-IUODEOHRSA-N 2 1 311.267 3.364 10 0 DGAEMP C[C@@H]1C[C@H]([N@@H+](C)Cc2cccc(Br)c2)CC[NH+]1C ZINC000177059285 432581281 /nfs/dbraw/zinc/58/12/81/432581281.db2.gz KJKRGAWHIKMKQI-IUODEOHRSA-N 2 1 311.267 3.364 10 0 DGAEMP C[C@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)c1ccc2ccccc2c1 ZINC000177244679 432602675 /nfs/dbraw/zinc/60/26/75/432602675.db2.gz TTYZOIHEVRMBSV-JXFKEZNVSA-N 2 1 312.457 3.337 10 0 DGAEMP CCn1cc([C@H](C)[NH2+]C2CC[NH+](CC3CCCC3)CC2)cn1 ZINC000178159368 432700594 /nfs/dbraw/zinc/70/05/94/432700594.db2.gz QGDCLHIWRBGHGX-HNNXBMFYSA-N 2 1 304.482 3.208 10 0 DGAEMP CC[C@H](C)[N@@H+](C)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000187682808 432675602 /nfs/dbraw/zinc/67/56/02/432675602.db2.gz XKVSZOCTLWZKFN-LPHOPBHVSA-N 2 1 304.478 3.162 10 0 DGAEMP Cc1ccc2c(CC[NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)cn(C)c2c1 ZINC000188695176 432740640 /nfs/dbraw/zinc/74/06/40/432740640.db2.gz BWYAJDOXHSTMKN-ZWKOTPCHSA-N 2 1 311.473 3.246 10 0 DGAEMP CC[N@H+]1CC[C@@H]([NH+](C)CCCOc2ccc(OC)cc2)[C@@H](C)C1 ZINC000245443804 432831650 /nfs/dbraw/zinc/83/16/50/432831650.db2.gz XKPUABJVBTZTLF-QFBILLFUSA-N 2 1 320.477 3.126 10 0 DGAEMP CC[NH+]1CC[C@@H]([N@H+](C)CCCOc2ccc(OC)cc2)[C@@H](C)C1 ZINC000245443804 432831654 /nfs/dbraw/zinc/83/16/54/432831654.db2.gz XKPUABJVBTZTLF-QFBILLFUSA-N 2 1 320.477 3.126 10 0 DGAEMP CC[NH+]1CC[C@@H]([N@@H+](C)CCCOc2ccc(OC)cc2)[C@@H](C)C1 ZINC000245443804 432831657 /nfs/dbraw/zinc/83/16/57/432831657.db2.gz XKPUABJVBTZTLF-QFBILLFUSA-N 2 1 320.477 3.126 10 0 DGAEMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(-n3cccn3)cc2)[C@@H](C)C1 ZINC000245440371 432832278 /nfs/dbraw/zinc/83/22/78/432832278.db2.gz UMMBGKWFQUKXEG-QFBILLFUSA-N 2 1 312.461 3.034 10 0 DGAEMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(-n3cccn3)cc2)[C@@H](C)C1 ZINC000245440371 432832281 /nfs/dbraw/zinc/83/22/81/432832281.db2.gz UMMBGKWFQUKXEG-QFBILLFUSA-N 2 1 312.461 3.034 10 0 DGAEMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(-n3cccn3)cc2)[C@@H](C)C1 ZINC000245440371 432832283 /nfs/dbraw/zinc/83/22/83/432832283.db2.gz UMMBGKWFQUKXEG-QFBILLFUSA-N 2 1 312.461 3.034 10 0 DGAEMP Cc1nn(C)c(C)c1[C@H]1CCC[N@@H+]1CCCCn1cc[nH+]c1C ZINC000162955075 432838741 /nfs/dbraw/zinc/83/87/41/432838741.db2.gz RQGMMQKNQIZEFF-QGZVFWFLSA-N 2 1 315.465 3.159 10 0 DGAEMP Cc1nn(C)c(C)c1[C@H]1CCC[N@H+]1CCCCn1cc[nH+]c1C ZINC000162955075 432838744 /nfs/dbraw/zinc/83/87/44/432838744.db2.gz RQGMMQKNQIZEFF-QGZVFWFLSA-N 2 1 315.465 3.159 10 0 DGAEMP Fc1ccccc1NC1CC[NH+](CCC[NH+]2CCCC2)CC1 ZINC000162027265 432808472 /nfs/dbraw/zinc/80/84/72/432808472.db2.gz MTEZHOWBKITTSD-UHFFFAOYSA-N 2 1 305.441 3.188 10 0 DGAEMP C[C@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)[C@H]1CCCO1 ZINC000245740011 432859743 /nfs/dbraw/zinc/85/97/43/432859743.db2.gz RKGJOLJBQHOZHY-MVBLQPKNSA-N 2 1 314.473 3.339 10 0 DGAEMP C[C@@H]1CCC[C@@H](CC[N@@H+]2CCCC[C@@H](N3CC[NH+](C)CC3)C2)C1 ZINC000245523942 432840296 /nfs/dbraw/zinc/84/02/96/432840296.db2.gz NHWHIAPPZZTKOU-HSALFYBXSA-N 2 1 321.553 3.305 10 0 DGAEMP C[C@@H]1CCC[C@@H](CC[N@H+]2CCCC[C@@H](N3CC[NH+](C)CC3)C2)C1 ZINC000245523942 432840298 /nfs/dbraw/zinc/84/02/98/432840298.db2.gz NHWHIAPPZZTKOU-HSALFYBXSA-N 2 1 321.553 3.305 10 0 DGAEMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+]CC[C@@H]2CCOC2)C3)cc1 ZINC000447598030 433239179 /nfs/dbraw/zinc/23/91/79/433239179.db2.gz HEINTTJXPPAAFD-WTGUMLROSA-N 2 1 314.473 3.198 10 0 DGAEMP COc1ccc(OC)c(C[N@H+]2CCCC3(CC[NH+](C)CC3)C2)c1 ZINC000375997247 433638519 /nfs/dbraw/zinc/63/85/19/433638519.db2.gz ACFIQDVTSQGPRJ-UHFFFAOYSA-N 2 1 318.461 3.012 10 0 DGAEMP Cc1cccc2c(N3C[C@@H]4C[N@H+]5CCCC[C@@H]5[C@@H]4C3)cc[nH+]c12 ZINC000301697856 433681919 /nfs/dbraw/zinc/68/19/19/433681919.db2.gz ZXLRAQQPIOHGBY-CGTJXYLNSA-N 2 1 307.441 3.464 10 0 DGAEMP c1c2cccnc2oc1CN1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000449049817 433707294 /nfs/dbraw/zinc/70/72/94/433707294.db2.gz SFKTYIFNTGYDME-CRAIPNDOSA-N 2 1 311.429 3.277 10 0 DGAEMP c1c2cccnc2oc1C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000449049817 433707303 /nfs/dbraw/zinc/70/73/03/433707303.db2.gz SFKTYIFNTGYDME-CRAIPNDOSA-N 2 1 311.429 3.277 10 0 DGAEMP c1c2cccnc2oc1C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000449049817 433707311 /nfs/dbraw/zinc/70/73/11/433707311.db2.gz SFKTYIFNTGYDME-CRAIPNDOSA-N 2 1 311.429 3.277 10 0 DGAEMP c1c2cccnc2oc1C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000449049817 433707318 /nfs/dbraw/zinc/70/73/18/433707318.db2.gz SFKTYIFNTGYDME-CRAIPNDOSA-N 2 1 311.429 3.277 10 0 DGAEMP c1[nH]nc(-c2ccccc2)c1C[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000373488374 293281340 /nfs/dbraw/zinc/28/13/40/293281340.db2.gz ZHFSBFGJHFOTIO-UHFFFAOYSA-N 2 1 310.445 3.183 10 0 DGAEMP CC[N@H+](CCC1CC[NH+](Cc2ncc(C)cn2)CC1)CC1CC1 ZINC000357084844 433857495 /nfs/dbraw/zinc/85/74/95/433857495.db2.gz MTEXLRWTFDOIHF-UHFFFAOYSA-N 2 1 316.493 3.119 10 0 DGAEMP CC[N@@H+](CCC1CC[NH+](Cc2ncc(C)cn2)CC1)CC1CC1 ZINC000357084844 433857503 /nfs/dbraw/zinc/85/75/03/433857503.db2.gz MTEXLRWTFDOIHF-UHFFFAOYSA-N 2 1 316.493 3.119 10 0 DGAEMP c1ccc2cc(OCCC[NH+]3CCC4(CC[NH2+]4)CC3)ccc2c1 ZINC000422637160 433935581 /nfs/dbraw/zinc/93/55/81/433935581.db2.gz ODCLHWMRCDOVJH-UHFFFAOYSA-N 2 1 310.441 3.437 10 0 DGAEMP Cc1ccc2[nH+]ccc(N(C)CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)c2c1 ZINC000302856714 433884794 /nfs/dbraw/zinc/88/47/94/433884794.db2.gz MBMQCTTZUZTQDC-IYBDPMFKSA-N 2 1 313.445 3.089 10 0 DGAEMP Cc1cccc(C[NH2+][C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000309728730 434098494 /nfs/dbraw/zinc/09/84/94/434098494.db2.gz QUYAVQHXEYLCSU-PKOBYXMFSA-N 2 1 309.457 3.390 10 0 DGAEMP Cc1cccc(C[NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000309728730 434098502 /nfs/dbraw/zinc/09/85/02/434098502.db2.gz QUYAVQHXEYLCSU-PKOBYXMFSA-N 2 1 309.457 3.390 10 0 DGAEMP O=C1CCC(C[N@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)CC1 ZINC000450345879 434119066 /nfs/dbraw/zinc/11/90/66/434119066.db2.gz CAVBUNVKMNNZDJ-SFHVURJKSA-N 2 1 306.494 3.334 10 0 DGAEMP Cc1nccnc1[C@H](C)N[C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000363866673 434170255 /nfs/dbraw/zinc/17/02/55/434170255.db2.gz QMOSNAQCEAYTKP-AYBZRNKSSA-N 2 1 324.472 3.346 10 0 DGAEMP [NH3+][C@H]1CCC[C@@H](NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000390722552 434368203 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c1ccc(OCC2CC2)c(C[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)c1 ZINC000573489476 434903250 /nfs/dbraw/zinc/90/32/50/434903250.db2.gz FKHVITBAEHHGCL-LJQANCHMSA-N 2 1 300.446 3.051 10 0 DGAEMP c1ccc(OCC2CC2)c(C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)c1 ZINC000573489476 434903254 /nfs/dbraw/zinc/90/32/54/434903254.db2.gz FKHVITBAEHHGCL-LJQANCHMSA-N 2 1 300.446 3.051 10 0 DGAEMP C[C@@H]1C[C@H]([N@@H+](C)C[C@H](O)C(C)(C)C)CCN1Cc1ccccc1 ZINC000559793254 435138583 /nfs/dbraw/zinc/13/85/83/435138583.db2.gz LTFYDCIFSDQJMO-QRQLOZEOSA-N 2 1 318.505 3.378 10 0 DGAEMP C[C@@H]1C[C@H]([NH+](C)C[C@H](O)C(C)(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000559793254 435138586 /nfs/dbraw/zinc/13/85/86/435138586.db2.gz LTFYDCIFSDQJMO-QRQLOZEOSA-N 2 1 318.505 3.378 10 0 DGAEMP C[C@@H]1C[C@H]([NH+](C)C[C@H](O)C(C)(C)C)CC[N@H+]1Cc1ccccc1 ZINC000559793254 435138589 /nfs/dbraw/zinc/13/85/89/435138589.db2.gz LTFYDCIFSDQJMO-QRQLOZEOSA-N 2 1 318.505 3.378 10 0 DGAEMP C[C@@H]1C[C@H]([N@H+](C)C[C@H](O)C(C)(C)C)CC[NH+]1Cc1ccccc1 ZINC000559793254 435138592 /nfs/dbraw/zinc/13/85/92/435138592.db2.gz LTFYDCIFSDQJMO-QRQLOZEOSA-N 2 1 318.505 3.378 10 0 DGAEMP C[C@@H]1C[C@H]([N@@H+](C)C[C@H](O)C(C)(C)C)CC[NH+]1Cc1ccccc1 ZINC000559793254 435138595 /nfs/dbraw/zinc/13/85/95/435138595.db2.gz LTFYDCIFSDQJMO-QRQLOZEOSA-N 2 1 318.505 3.378 10 0 DGAEMP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)N[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000580062424 435201822 /nfs/dbraw/zinc/20/18/22/435201822.db2.gz ZDJUOAANZAYAEV-HOJAQTOUSA-N 2 1 317.521 3.121 10 0 DGAEMP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)N[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000580062424 435201825 /nfs/dbraw/zinc/20/18/25/435201825.db2.gz ZDJUOAANZAYAEV-HOJAQTOUSA-N 2 1 317.521 3.121 10 0 DGAEMP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)N[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000580062427 435201968 /nfs/dbraw/zinc/20/19/68/435201968.db2.gz ZDJUOAANZAYAEV-SXLOBPIMSA-N 2 1 317.521 3.121 10 0 DGAEMP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)N[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000580062427 435201972 /nfs/dbraw/zinc/20/19/72/435201972.db2.gz ZDJUOAANZAYAEV-SXLOBPIMSA-N 2 1 317.521 3.121 10 0 DGAEMP c1ccc(N[C@H]2CCC[N@H+](Cc3ccc4c(c3)C[NH2+]CC4)C2)cc1 ZINC000563267947 315096672 /nfs/dbraw/zinc/09/66/72/315096672.db2.gz FKUIGXRVZVGJNG-NRFANRHFSA-N 2 1 321.468 3.409 10 0 DGAEMP C[C@H](NC[C@@]1(C)CCC[N@H+]1Cc1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC000566091141 315311314 /nfs/dbraw/zinc/31/13/14/315311314.db2.gz STPVNNRMTKKVRZ-DFQSSKMNSA-N 2 1 315.505 3.019 10 0 DGAEMP C[C@H]([NH2+]C[C@@]1(C)CCCN1Cc1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC000566091141 315311316 /nfs/dbraw/zinc/31/13/16/315311316.db2.gz STPVNNRMTKKVRZ-DFQSSKMNSA-N 2 1 315.505 3.019 10 0 DGAEMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccccc1CO ZINC000574857416 316007582 /nfs/dbraw/zinc/00/75/82/316007582.db2.gz KHCHHDGCEAVKSA-UWJYYQICSA-N 2 1 324.468 3.179 10 0 DGAEMP Cc1ccc2[nH+]ccc(NCCC[N@H+]3C[C@@H](C)O[C@@H](C)C3)c2c1 ZINC000302174966 534523244 /nfs/dbraw/zinc/52/32/44/534523244.db2.gz WQMZQJXOJUIPGN-IYBDPMFKSA-N 2 1 313.445 3.454 10 0 DGAEMP O[C@H](C[C@@H]1CCCCC[N@H+]1CCC[NH+]1CCCC1)c1ccco1 ZINC000163399505 526293868 /nfs/dbraw/zinc/29/38/68/526293868.db2.gz UNNUXKPNRGHNAB-ZWKOTPCHSA-N 2 1 320.477 3.434 10 0 DGAEMP CSc1ccc(OCC[N@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)cc1 ZINC000173528905 546104236 /nfs/dbraw/zinc/10/42/36/546104236.db2.gz OWJARAVQFZIGKT-CABCVRRESA-N 2 1 308.491 3.202 10 0 DGAEMP CSc1ccc(OCC[N@@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)cc1 ZINC000173528905 546104244 /nfs/dbraw/zinc/10/42/44/546104244.db2.gz OWJARAVQFZIGKT-CABCVRRESA-N 2 1 308.491 3.202 10 0 DGAEMP CSc1ccc(OCC[NH+](C)[C@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000173528905 546104251 /nfs/dbraw/zinc/10/42/51/546104251.db2.gz OWJARAVQFZIGKT-CABCVRRESA-N 2 1 308.491 3.202 10 0 DGAEMP CSc1ccc(OCC[NH+](C)[C@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000173528905 546104255 /nfs/dbraw/zinc/10/42/55/546104255.db2.gz OWJARAVQFZIGKT-CABCVRRESA-N 2 1 308.491 3.202 10 0 DGAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1nc2ccccc2nc1C ZINC000178332510 546128952 /nfs/dbraw/zinc/12/89/52/546128952.db2.gz HOSQZOPPUXNONJ-MRXNPFEDSA-N 2 1 321.428 3.108 10 0 DGAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1nc2ccccc2nc1C ZINC000178332510 546128957 /nfs/dbraw/zinc/12/89/57/546128957.db2.gz HOSQZOPPUXNONJ-MRXNPFEDSA-N 2 1 321.428 3.108 10 0 DGAEMP Clc1cccc(OCC[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)c1 ZINC000252412664 546330949 /nfs/dbraw/zinc/33/09/49/546330949.db2.gz AMJXMXUKNMAIPU-WMLDXEAASA-N 2 1 308.853 3.183 10 0 DGAEMP CO[C@@H]1CCC[C@@H]([NH2+]CC[C@@H](C)[N@@H+](C)Cc2ccccc2)C1 ZINC000379625178 546734747 /nfs/dbraw/zinc/73/47/47/546734747.db2.gz FMXCXNLWCRITIN-BHIYHBOVSA-N 2 1 304.478 3.444 10 0 DGAEMP C[C@@H]1C[C@H]([NH2+]CC[C@@H]2CCCO2)CC[N@@H+]1Cc1ccccc1 ZINC000379656826 546734805 /nfs/dbraw/zinc/73/48/05/546734805.db2.gz QPXQOSUUPRUHHR-QRQLOZEOSA-N 2 1 302.462 3.198 10 0 DGAEMP C[C@@H]1C[C@H]([NH2+]CC[C@@H]2CCCO2)CC[N@H+]1Cc1ccccc1 ZINC000379656826 546734812 /nfs/dbraw/zinc/73/48/12/546734812.db2.gz QPXQOSUUPRUHHR-QRQLOZEOSA-N 2 1 302.462 3.198 10 0 DGAEMP CO[C@@H]1CCC[C@@H]([NH2+]CC[C@H](C)[N@@H+](C)Cc2ccccc2)C1 ZINC000379625181 546735132 /nfs/dbraw/zinc/73/51/32/546735132.db2.gz FMXCXNLWCRITIN-QXAKKESOSA-N 2 1 304.478 3.444 10 0 DGAEMP C[C@@H]([NH2+]CCOC(C)(C)C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000381305401 546738787 /nfs/dbraw/zinc/73/87/87/546738787.db2.gz JSFJQWXHQWNWNY-SJLPKXTDSA-N 2 1 304.478 3.302 10 0 DGAEMP C[C@]1(C[N@H+]2CCCCC[C@H]2C[C@@H](O)c2ccccc2)CC[NH2+]C1 ZINC000262044657 655757678 /nfs/dbraw/zinc/75/76/78/655757678.db2.gz POPAVZPMGBDKRV-ZCNNSNEGSA-N 2 1 316.489 3.354 10 0 DGAEMP C[C@@]1(C[NH2+][C@@H]2CCCSC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000309709326 655877050 /nfs/dbraw/zinc/87/70/50/655877050.db2.gz IRXIJAFVCUTEAJ-MSOLQXFVSA-N 2 1 304.503 3.384 10 0 DGAEMP C[C@@H]1COCC[C@H]1[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716660627 661226093 /nfs/dbraw/zinc/22/60/93/661226093.db2.gz HHRKRZCZZMMXCB-MTEHYEEQSA-N 2 1 314.473 3.054 10 0 DGAEMP CO[C@H](C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2)C(C)C ZINC000716654772 661226225 /nfs/dbraw/zinc/22/62/25/661226225.db2.gz LNKVTEDMANBODA-ZGXWSNOMSA-N 2 1 316.489 3.300 10 0 DGAEMP C[C@H]([NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2)[C@@H]1CCCO1 ZINC000716662773 661226249 /nfs/dbraw/zinc/22/62/49/661226249.db2.gz PZMZIWLQRBSUQK-JBDAPHQKSA-N 2 1 314.473 3.197 10 0 DGAEMP CC[C@H](C[C@@H](C)O)[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716641237 661226292 /nfs/dbraw/zinc/22/62/92/661226292.db2.gz YDVCTEKCQJJZTQ-XZEJUNMKSA-N 2 1 316.489 3.179 10 0 DGAEMP CCOC[C@H](C)[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716674241 661226558 /nfs/dbraw/zinc/22/65/58/661226558.db2.gz WERMMIDEDSJYRD-WNHJNPCNSA-N 2 1 302.462 3.054 10 0 DGAEMP CC1(C)C[C@H]([NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)CO1 ZINC000716672117 661226749 /nfs/dbraw/zinc/22/67/49/661226749.db2.gz SVUNJPORNQMALJ-RDGPPVDQSA-N 2 1 314.473 3.197 10 0 DGAEMP CO[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000310013429 656131629 /nfs/dbraw/zinc/13/16/29/656131629.db2.gz LYXVHQCWXWONGI-CEXWTWQISA-N 2 1 302.462 3.056 10 0 DGAEMP C[C@@]1(C[NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)CCOC1 ZINC000716682204 661227616 /nfs/dbraw/zinc/22/76/16/661227616.db2.gz NXUNVYDNFNBCAA-YRPNKDGESA-N 2 1 314.473 3.056 10 0 DGAEMP FC1(F)CC([NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)C1 ZINC000716710153 661227753 /nfs/dbraw/zinc/22/77/53/661227753.db2.gz WSHSZRZXAQMFAF-ZOBUZTSGSA-N 2 1 306.400 3.427 10 0 DGAEMP CN(Cc1cccnc1)C[C@@H]1CC[N@@H+](CCc2cccs2)C1 ZINC000195284765 656211703 /nfs/dbraw/zinc/21/17/03/656211703.db2.gz FVKGSZCPKZZNMZ-KRWDZBQOSA-N 2 1 315.486 3.140 10 0 DGAEMP C[N@@H+](Cc1cccnc1)C[C@@H]1CC[NH+](CCc2cccs2)C1 ZINC000195284765 656211705 /nfs/dbraw/zinc/21/17/05/656211705.db2.gz FVKGSZCPKZZNMZ-KRWDZBQOSA-N 2 1 315.486 3.140 10 0 DGAEMP C[N@H+](Cc1cccnc1)C[C@@H]1CC[NH+](CCc2cccs2)C1 ZINC000195284765 656211707 /nfs/dbraw/zinc/21/17/07/656211707.db2.gz FVKGSZCPKZZNMZ-KRWDZBQOSA-N 2 1 315.486 3.140 10 0 DGAEMP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@H+](CCc2cccs2)C1 ZINC000195284765 656211709 /nfs/dbraw/zinc/21/17/09/656211709.db2.gz FVKGSZCPKZZNMZ-KRWDZBQOSA-N 2 1 315.486 3.140 10 0 DGAEMP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@@H+](CCc2cccs2)C1 ZINC000195284765 656211710 /nfs/dbraw/zinc/21/17/10/656211710.db2.gz FVKGSZCPKZZNMZ-KRWDZBQOSA-N 2 1 315.486 3.140 10 0 DGAEMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCCc2n[nH]cc21 ZINC000353521755 659995576 /nfs/dbraw/zinc/99/55/76/659995576.db2.gz SLCLPJRTEHGBNW-AYOQOUSVSA-N 2 1 324.472 3.287 10 0 DGAEMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCCc2n[nH]cc21 ZINC000353521755 659995577 /nfs/dbraw/zinc/99/55/77/659995577.db2.gz SLCLPJRTEHGBNW-AYOQOUSVSA-N 2 1 324.472 3.287 10 0 DGAEMP C[C@@H]1C[C@H]([NH2+]CCc2ccns2)CC[N@H+]1Cc1ccccc1 ZINC000719847141 662298099 /nfs/dbraw/zinc/29/80/99/662298099.db2.gz AWVFGFULLHRREQ-NVXWUHKLSA-N 2 1 315.486 3.328 10 0 DGAEMP Cc1cc(C)cc([C@@H](O)C[N@H+](C)CC[C@H]2CCCC[NH+]2C)c1 ZINC000247522033 662324793 /nfs/dbraw/zinc/32/47/93/662324793.db2.gz NMZZAZNRFBLSOU-MOPGFXCFSA-N 2 1 304.478 3.143 10 0 DGAEMP Cc1cc(C)cc([C@@H](O)C[N@@H+](C)CC[C@H]2CCCC[NH+]2C)c1 ZINC000247522033 662324797 /nfs/dbraw/zinc/32/47/97/662324797.db2.gz NMZZAZNRFBLSOU-MOPGFXCFSA-N 2 1 304.478 3.143 10 0 DGAEMP Cc1cc(C)cc([C@@H](O)C[NH+](C)CC[C@H]2CCCC[N@@H+]2C)c1 ZINC000247522033 662324799 /nfs/dbraw/zinc/32/47/99/662324799.db2.gz NMZZAZNRFBLSOU-MOPGFXCFSA-N 2 1 304.478 3.143 10 0 DGAEMP Cc1cc(C)cc([C@@H](O)C[NH+](C)CC[C@H]2CCCC[N@H+]2C)c1 ZINC000247522033 662324803 /nfs/dbraw/zinc/32/48/03/662324803.db2.gz NMZZAZNRFBLSOU-MOPGFXCFSA-N 2 1 304.478 3.143 10 0 DGAEMP CO[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000390889326 685207169 /nfs/dbraw/zinc/20/71/69/685207169.db2.gz ZXNAVWACODZHOZ-OTWHNJEPSA-N 2 1 316.489 3.444 10 0 DGAEMP CO[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000390889326 685207175 /nfs/dbraw/zinc/20/71/75/685207175.db2.gz ZXNAVWACODZHOZ-OTWHNJEPSA-N 2 1 316.489 3.444 10 0 DGAEMP C=CCOc1ccc(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)cc1Cl ZINC000066972321 1195579288 /nfs/dbraw/zinc/57/92/88/1195579288.db2.gz QXTZULRKLQVMOM-OAHLLOKOSA-N 2 1 320.864 3.479 10 0 DGAEMP CO[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000309905302 231108232 /nfs/dbraw/zinc/10/82/32/231108232.db2.gz JWULKHHLDRANEC-UHZRXMQZSA-N 2 1 314.473 3.054 10 0 DGAEMP C[C@@H]([NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1CCCCO1 ZINC000272745552 210151168 /nfs/dbraw/zinc/15/11/68/210151168.db2.gz JANUKDQLCYSRQP-KVPLUYHFSA-N 2 1 316.489 3.444 10 0 DGAEMP CC(C)C[N@@H+](C)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000106127301 432020366 /nfs/dbraw/zinc/02/03/66/432020366.db2.gz PGOYPVYYZSXHRW-IBGZPJMESA-N 2 1 304.478 3.020 10 0 DGAEMP CCCC[N@@H+](C)CC1CC[NH+](Cc2cnn(CCC)c2)CC1 ZINC000134162155 432074562 /nfs/dbraw/zinc/07/45/62/432074562.db2.gz VBOVPLIQXXDQLT-UHFFFAOYSA-N 2 1 306.498 3.237 10 0 DGAEMP c1cc(CCC[N@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)cc2c1OCC2 ZINC000415033398 237023514 /nfs/dbraw/zinc/02/35/14/237023514.db2.gz BRYJPBIDJOPVCN-RTBURBONSA-N 2 1 314.473 3.018 10 0 DGAEMP c1ccc(CSCC[N@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)cc1 ZINC000415038133 237027997 /nfs/dbraw/zinc/02/79/97/237027997.db2.gz HKUYGLSANFNDEH-MSOLQXFVSA-N 2 1 304.503 3.384 10 0 DGAEMP C[C@@H]1C[C@@H]([N@@H+](C)Cc2cn(C)nc2-c2cccs2)CCN1C ZINC000180424331 432086131 /nfs/dbraw/zinc/08/61/31/432086131.db2.gz BTQRGOGREOCWFY-HIFRSBDPSA-N 2 1 318.490 3.063 10 0 DGAEMP C[C@@H]1C[C@@H](N(C)Cc2cn(C)nc2-c2cccs2)CC[N@@H+]1C ZINC000180424331 432086134 /nfs/dbraw/zinc/08/61/34/432086134.db2.gz BTQRGOGREOCWFY-HIFRSBDPSA-N 2 1 318.490 3.063 10 0 DGAEMP C[C@@H]1C[C@@H](N(C)Cc2cn(C)nc2-c2cccs2)CC[N@H+]1C ZINC000180424331 432086135 /nfs/dbraw/zinc/08/61/35/432086135.db2.gz BTQRGOGREOCWFY-HIFRSBDPSA-N 2 1 318.490 3.063 10 0 DGAEMP COc1c(C)cc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)cc1C ZINC000092043262 193145223 /nfs/dbraw/zinc/14/52/23/193145223.db2.gz YKEQOSKHQQRXRW-QZTJIDSGSA-N 2 1 302.462 3.228 10 0 DGAEMP COc1c(C)cc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)cc1C ZINC000092043262 193145224 /nfs/dbraw/zinc/14/52/24/193145224.db2.gz YKEQOSKHQQRXRW-QZTJIDSGSA-N 2 1 302.462 3.228 10 0 DGAEMP COc1c(C)cc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)cc1C ZINC000092043262 193145226 /nfs/dbraw/zinc/14/52/26/193145226.db2.gz YKEQOSKHQQRXRW-QZTJIDSGSA-N 2 1 302.462 3.228 10 0 DGAEMP COc1c(C)c[nH+]c(CN2CCC(C[NH+]3CCCC3)CC2)c1C ZINC000171234416 432115436 /nfs/dbraw/zinc/11/54/36/432115436.db2.gz YGHNNZUOVDEIKF-UHFFFAOYSA-N 2 1 317.477 3.015 10 0 DGAEMP COc1c(C)cc(C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1C ZINC000093597369 193272690 /nfs/dbraw/zinc/27/26/90/193272690.db2.gz MUIDPDYVVMDJRS-KRWDZBQOSA-N 2 1 302.462 3.230 10 0 DGAEMP COc1c(C)cc(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1C ZINC000093597369 193272691 /nfs/dbraw/zinc/27/26/91/193272691.db2.gz MUIDPDYVVMDJRS-KRWDZBQOSA-N 2 1 302.462 3.230 10 0 DGAEMP COc1ccc2oc(C[N@H+](C)[C@@H]3CC[NH+](C)[C@H](C)C3)cc2c1 ZINC000093645095 193281619 /nfs/dbraw/zinc/28/16/19/193281619.db2.gz QJFWBYFTEOOWHS-UKRRQHHQSA-N 2 1 302.418 3.356 10 0 DGAEMP COc1ccc2oc(C[N@@H+](C)[C@@H]3CC[NH+](C)[C@H](C)C3)cc2c1 ZINC000093645095 193281620 /nfs/dbraw/zinc/28/16/20/193281620.db2.gz QJFWBYFTEOOWHS-UKRRQHHQSA-N 2 1 302.418 3.356 10 0 DGAEMP COc1ccc2oc(C[NH+](C)[C@@H]3CC[N@H+](C)[C@H](C)C3)cc2c1 ZINC000093645095 193281622 /nfs/dbraw/zinc/28/16/22/193281622.db2.gz QJFWBYFTEOOWHS-UKRRQHHQSA-N 2 1 302.418 3.356 10 0 DGAEMP COc1ccc2oc(C[NH+](C)[C@@H]3CC[N@@H+](C)[C@H](C)C3)cc2c1 ZINC000093645095 193281624 /nfs/dbraw/zinc/28/16/24/193281624.db2.gz QJFWBYFTEOOWHS-UKRRQHHQSA-N 2 1 302.418 3.356 10 0 DGAEMP COc1ccc(CC2CC[NH+](CC[C@H]3CCC[N@H+]3C)CC2)cc1 ZINC000125076469 284269385 /nfs/dbraw/zinc/26/93/85/284269385.db2.gz WWPWYRBCOZHIFG-LJQANCHMSA-N 2 1 316.489 3.434 10 0 DGAEMP C[NH+](C)CC(C)(C)C[NH2+]Cc1ccc(Br)c(F)c1 ZINC000127353688 284336676 /nfs/dbraw/zinc/33/66/76/284336676.db2.gz FTLBNZSHJKCFKU-UHFFFAOYSA-N 2 1 317.246 3.266 10 0 DGAEMP C[N@H+]1CCC[C@@H](CNCc2ccc(Br)c(F)c2)C1 ZINC000127456446 284340418 /nfs/dbraw/zinc/34/04/18/284340418.db2.gz WYOHXLHFOGXWMC-LBPRGKRZSA-N 2 1 315.230 3.020 10 0 DGAEMP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccc(Br)c(F)c2)C1 ZINC000127456446 284340421 /nfs/dbraw/zinc/34/04/21/284340421.db2.gz WYOHXLHFOGXWMC-LBPRGKRZSA-N 2 1 315.230 3.020 10 0 DGAEMP COc1ccc(C[NH+]2CCC(Cc3[nH+]ccn3C)CC2)cc1F ZINC000105875559 194153829 /nfs/dbraw/zinc/15/38/29/194153829.db2.gz IDCMVZXDPFDCLS-UHFFFAOYSA-N 2 1 317.408 3.023 10 0 DGAEMP Cc1cccc(OCC[NH+]2CCC(Cc3[nH+]ccn3C)CC2)c1 ZINC000106166131 194189790 /nfs/dbraw/zinc/18/97/90/194189790.db2.gz AAOOQZZORSVHDY-UHFFFAOYSA-N 2 1 313.445 3.062 10 0 DGAEMP C[NH+](C)[C@H]1CCO[C@]2(CC[N@@H+](Cc3cccc(Cl)c3)C2)C1 ZINC000503713289 257210482 /nfs/dbraw/zinc/21/04/82/257210482.db2.gz WWILGHLDWMESNJ-DLBZAZTESA-N 2 1 308.853 3.025 10 0 DGAEMP C[C@@H]([NH2+][C@H]1C[C@@H](C)O[C@@H]1C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000295615539 533548988 /nfs/dbraw/zinc/54/89/88/533548988.db2.gz DOCKJICIEHVXDA-RTYCURFASA-N 2 1 302.462 3.053 10 0 DGAEMP Cc1ccc(C)c([C@H]2C[N@@H+](CC3CC[NH2+]CC3)[C@H](C)CO2)c1 ZINC000178975423 292088326 /nfs/dbraw/zinc/08/83/26/292088326.db2.gz LSDJDBIVCGYMPJ-VQIMIIECSA-N 2 1 302.462 3.065 10 0 DGAEMP C[NH2+]CCOCC[N@@H+](C)[C@H](C)c1ccc(Cl)c(Cl)c1 ZINC000629571460 400979721 /nfs/dbraw/zinc/97/97/21/400979721.db2.gz MMZBYYUBMRBIKS-LLVKDONJSA-N 2 1 305.249 3.222 10 0 DGAEMP COC[C@H](C)C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000249454937 401085028 /nfs/dbraw/zinc/08/50/28/401085028.db2.gz DGNQTEYNNYDZTK-HOJAQTOUSA-N 2 1 316.489 3.255 10 0 DGAEMP COC[C@H](C)C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000249454937 401085034 /nfs/dbraw/zinc/08/50/34/401085034.db2.gz DGNQTEYNNYDZTK-HOJAQTOUSA-N 2 1 316.489 3.255 10 0 DGAEMP COC[C@H](C)C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000249454937 401085039 /nfs/dbraw/zinc/08/50/39/401085039.db2.gz DGNQTEYNNYDZTK-HOJAQTOUSA-N 2 1 316.489 3.255 10 0 DGAEMP CC(=O)N1CC[C@@H]([NH2+]CCC[N@@H+](C)CC(C)C)c2ccccc21 ZINC000621765277 401297956 /nfs/dbraw/zinc/29/79/56/401297956.db2.gz VRFYHGJOBPDGAO-GOSISDBHSA-N 2 1 317.477 3.052 10 0 DGAEMP CC(=O)N1CC[C@@H]([NH2+]CCC[N@H+](C)CC(C)C)c2ccccc21 ZINC000621765277 401297960 /nfs/dbraw/zinc/29/79/60/401297960.db2.gz VRFYHGJOBPDGAO-GOSISDBHSA-N 2 1 317.477 3.052 10 0 DGAEMP Cc1ccc2c(c1)[C@H]([NH2+]C1CC[NH+](C3CC3)CC1)CCCO2 ZINC000119688541 292367170 /nfs/dbraw/zinc/36/71/70/292367170.db2.gz YPFFTYNTNLWSFK-GOSISDBHSA-N 2 1 300.446 3.425 10 0 DGAEMP Cc1ccc(C[N@@H+]2CC[C@H](CNc3cccc(C)[nH+]3)C2)c(C)n1 ZINC000187066335 165075681 /nfs/dbraw/zinc/07/56/81/165075681.db2.gz HDVORNBSDYPLIF-QGZVFWFLSA-N 2 1 310.445 3.336 10 0 DGAEMP Cc1ccc(C[N@H+]2CC[C@H](CNc3cccc(C)[nH+]3)C2)c(C)n1 ZINC000187066335 165075683 /nfs/dbraw/zinc/07/56/83/165075683.db2.gz HDVORNBSDYPLIF-QGZVFWFLSA-N 2 1 310.445 3.336 10 0 DGAEMP CCc1nccn1[C@@H]1CCC[N@@H+](C[C@H](O)CC2CCCC2)C1 ZINC000191342452 165244236 /nfs/dbraw/zinc/24/42/36/165244236.db2.gz QQAQWCGREIZIHA-IAGOWNOFSA-N 2 1 305.466 3.024 10 0 DGAEMP Cc1nccn1CCC[N@H+](C)Cc1ccc(-n2ccnc2)cc1C ZINC000192122487 165283819 /nfs/dbraw/zinc/28/38/19/165283819.db2.gz QFMZCTSGBUQNPS-UHFFFAOYSA-N 3 1 323.444 3.208 10 0 DGAEMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1ccc(-n2ccnc2)cc1C ZINC000192122487 165283824 /nfs/dbraw/zinc/28/38/24/165283824.db2.gz QFMZCTSGBUQNPS-UHFFFAOYSA-N 2 1 323.444 3.208 10 0 DGAEMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1ccc(-n2ccnc2)cc1C ZINC000192122487 165283827 /nfs/dbraw/zinc/28/38/27/165283827.db2.gz QFMZCTSGBUQNPS-UHFFFAOYSA-N 2 1 323.444 3.208 10 0 DGAEMP c1ccc(COCCC[NH+]2CCC([NH+]3CCCC3)CC2)cc1 ZINC000182245425 432169948 /nfs/dbraw/zinc/16/99/48/432169948.db2.gz PBFPVTZCWRMJMJ-UHFFFAOYSA-N 2 1 302.462 3.154 10 0 DGAEMP COCc1cccc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1 ZINC000246873172 432175787 /nfs/dbraw/zinc/17/57/87/432175787.db2.gz QDKIQKMNDLXVMR-ICSRJNTNSA-N 2 1 314.473 3.282 10 0 DGAEMP Cc1ccc(N2CCC[C@H]([NH2+][C@@H]3C[C@@H](C)[N@H+](C)C[C@H]3C)C2)cc1 ZINC000247250855 432214904 /nfs/dbraw/zinc/21/49/04/432214904.db2.gz YIBOJYHHHVIAAY-FTEYMNFISA-N 2 1 315.505 3.282 10 0 DGAEMP CC[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)c1ccc(Cl)cc1 ZINC000151339193 432237854 /nfs/dbraw/zinc/23/78/54/432237854.db2.gz VDGJIJDVMUQKNA-DLBZAZTESA-N 2 1 310.869 3.228 10 0 DGAEMP Cc1cc(C)c([C@H](C)[NH2+]C[C@H](O)C[NH+]2CCCCC2)cc1C ZINC000151341586 432238940 /nfs/dbraw/zinc/23/89/40/432238940.db2.gz JPHCUAOTOTYYSG-ROUUACIJSA-N 2 1 304.478 3.109 10 0 DGAEMP C[NH+](C)[C@@H]1CCN(c2cc[nH+]c3cc(C(F)(F)F)ccc32)C1 ZINC000124595892 273808536 /nfs/dbraw/zinc/80/85/36/273808536.db2.gz KLTVJPJQXVEYBE-GFCCVEGCSA-N 2 1 309.335 3.394 10 0 DGAEMP CC[N@H+]1CC[C@@H](C[NH2+][C@H]2CC(C)(C)c3cc(OC)ccc32)C1 ZINC000474071571 276212699 /nfs/dbraw/zinc/21/26/99/276212699.db2.gz FZXBCFSDRTUJGA-KSSFIOAISA-N 2 1 302.462 3.349 10 0 DGAEMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)[C@@H](C)c2cccc(Cl)c2)CC1 ZINC000106124370 278395718 /nfs/dbraw/zinc/39/57/18/278395718.db2.gz HQRPAYAQKOCEHY-CABCVRRESA-N 2 1 324.896 3.426 10 0 DGAEMP CC[N@H+]1CC[C@@H]([NH+](C)CCOc2ccccc2Cl)[C@H](C)C1 ZINC000081096345 431782421 /nfs/dbraw/zinc/78/24/21/431782421.db2.gz HSIHCFFKFQDOOJ-GDBMZVCRSA-N 2 1 310.869 3.381 10 0 DGAEMP CC[NH+]1CC[C@@H]([N@H+](C)CCOc2ccccc2Cl)[C@H](C)C1 ZINC000081096345 431782430 /nfs/dbraw/zinc/78/24/30/431782430.db2.gz HSIHCFFKFQDOOJ-GDBMZVCRSA-N 2 1 310.869 3.381 10 0 DGAEMP CC(C)c1cccc(NC(=O)CN(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000123318160 431861420 /nfs/dbraw/zinc/86/14/20/431861420.db2.gz BYELZIVVEDMYKO-CRAIPNDOSA-N 2 1 317.477 3.163 10 0 DGAEMP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC[C@@H]1c1ccc2c(c1)OCO2 ZINC000089427264 431865867 /nfs/dbraw/zinc/86/58/67/431865867.db2.gz DTZOSDSFEDEBGP-JKSUJKDBSA-N 2 1 302.418 3.037 10 0 DGAEMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC[C@@H]1c1ccc2c(c1)OCO2 ZINC000089427264 431865868 /nfs/dbraw/zinc/86/58/68/431865868.db2.gz DTZOSDSFEDEBGP-JKSUJKDBSA-N 2 1 302.418 3.037 10 0 DGAEMP C[NH+]1CCC[C@H]1CC[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCO2 ZINC000089427264 431865869 /nfs/dbraw/zinc/86/58/69/431865869.db2.gz DTZOSDSFEDEBGP-JKSUJKDBSA-N 2 1 302.418 3.037 10 0 DGAEMP C[NH+]1CCC[C@H]1CC[N@H+]1CCC[C@@H]1c1ccc2c(c1)OCO2 ZINC000089427264 431865871 /nfs/dbraw/zinc/86/58/71/431865871.db2.gz DTZOSDSFEDEBGP-JKSUJKDBSA-N 2 1 302.418 3.037 10 0 DGAEMP C[C@@H]1C[C@@H](N(C)Cc2ccccc2Br)CC[N@H+]1C ZINC000123958523 431879688 /nfs/dbraw/zinc/87/96/88/431879688.db2.gz WQMRHLDCXPDITO-OCCSQVGLSA-N 2 1 311.267 3.364 10 0 DGAEMP CC(C)[NH+]1CCN(CCC[N@H+]2CCC[C@@]3(CC=CCC3)C2)CC1 ZINC000191495275 432270223 /nfs/dbraw/zinc/27/02/23/432270223.db2.gz WUEKHNNLFFRPIX-FQEVSTJZSA-N 2 1 319.537 3.225 10 0 DGAEMP CCOC(=O)CCC[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000183688438 432315561 /nfs/dbraw/zinc/31/55/61/432315561.db2.gz WMQFSXBTAZQAGL-CQSZACIVSA-N 2 1 315.417 3.175 10 0 DGAEMP c1ccc2c(c1)C=C(C[N@@H+]1CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C1)CO2 ZINC000252802888 432388338 /nfs/dbraw/zinc/38/83/38/432388338.db2.gz VSLSTRYTGQUVFI-ICSRJNTNSA-N 2 1 324.468 3.411 10 0 DGAEMP c1ccc2c(c1)C=C(C[N@H+]1CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C1)CO2 ZINC000252802888 432388341 /nfs/dbraw/zinc/38/83/41/432388341.db2.gz VSLSTRYTGQUVFI-ICSRJNTNSA-N 2 1 324.468 3.411 10 0 DGAEMP c1ccc2c(c1)C=C(C[NH+]1CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C1)CO2 ZINC000252802888 432388345 /nfs/dbraw/zinc/38/83/45/432388345.db2.gz VSLSTRYTGQUVFI-ICSRJNTNSA-N 2 1 324.468 3.411 10 0 DGAEMP c1ccc2c(c1)C=C(C[NH+]1CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C1)CO2 ZINC000252802888 432388348 /nfs/dbraw/zinc/38/83/48/432388348.db2.gz VSLSTRYTGQUVFI-ICSRJNTNSA-N 2 1 324.468 3.411 10 0 DGAEMP COc1ccc([C@H](C)C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)cc1 ZINC000252733728 432388364 /nfs/dbraw/zinc/38/83/64/432388364.db2.gz BKUNYJQAHIZMKE-HHXXYDBFSA-N 2 1 302.462 3.215 10 0 DGAEMP COc1ccc([C@H](C)C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)cc1 ZINC000252733728 432388367 /nfs/dbraw/zinc/38/83/67/432388367.db2.gz BKUNYJQAHIZMKE-HHXXYDBFSA-N 2 1 302.462 3.215 10 0 DGAEMP COc1ccc([C@H](C)C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)cc1 ZINC000252733728 432388371 /nfs/dbraw/zinc/38/83/71/432388371.db2.gz BKUNYJQAHIZMKE-HHXXYDBFSA-N 2 1 302.462 3.215 10 0 DGAEMP CCCn1cc(C[NH2+]C(C)(C)CC[NH+]2CCCCCC2)cn1 ZINC000185159580 432473280 /nfs/dbraw/zinc/47/32/80/432473280.db2.gz XFXBOKMEXAKRPQ-UHFFFAOYSA-N 2 1 306.498 3.427 10 0 DGAEMP CC[N@@H+](CC1CC[NH2+]CC1)[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000262287662 432480403 /nfs/dbraw/zinc/48/04/03/432480403.db2.gz VQKUGTFEUFXITO-XLIONFOSSA-N 2 1 315.505 3.143 10 0 DGAEMP CCN(C[C@]1(C)CC[NH2+]C1)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000261913204 432460218 /nfs/dbraw/zinc/46/02/18/432460218.db2.gz YVLJVAPGFHWQBO-YZGWKJHDSA-N 2 1 315.505 3.143 10 0 DGAEMP C[C@@H]1C[C@@H]([NH+](C)Cc2cccc(Br)c2)CC[N@@H+]1C ZINC000177059313 432581909 /nfs/dbraw/zinc/58/19/09/432581909.db2.gz KJKRGAWHIKMKQI-DOMZBBRYSA-N 2 1 311.267 3.364 10 0 DGAEMP C[C@@H]1C[C@@H]([NH+](C)Cc2cccc(Br)c2)CC[N@H+]1C ZINC000177059313 432581913 /nfs/dbraw/zinc/58/19/13/432581913.db2.gz KJKRGAWHIKMKQI-DOMZBBRYSA-N 2 1 311.267 3.364 10 0 DGAEMP C[C@@H]1C[C@@H]([N@H+](C)Cc2cccc(Br)c2)CC[NH+]1C ZINC000177059313 432581918 /nfs/dbraw/zinc/58/19/18/432581918.db2.gz KJKRGAWHIKMKQI-DOMZBBRYSA-N 2 1 311.267 3.364 10 0 DGAEMP C[C@@H]1C[C@@H]([N@@H+](C)Cc2cccc(Br)c2)CC[NH+]1C ZINC000177059313 432581919 /nfs/dbraw/zinc/58/19/19/432581919.db2.gz KJKRGAWHIKMKQI-DOMZBBRYSA-N 2 1 311.267 3.364 10 0 DGAEMP C[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)c1ccc2ccccc2c1 ZINC000177244725 432601778 /nfs/dbraw/zinc/60/17/78/432601778.db2.gz TTYZOIHEVRMBSV-OXQOHEQNSA-N 2 1 312.457 3.337 10 0 DGAEMP CC(C)OCC[NH+]1CCC([NH2+][C@H]2CCc3ccccc32)CC1 ZINC000157978852 432634911 /nfs/dbraw/zinc/63/49/11/432634911.db2.gz SOEYLVCWCGHVQV-IBGZPJMESA-N 2 1 302.462 3.153 10 0 DGAEMP CCC[C@H]([NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1)c1ccccn1 ZINC000159177358 432674371 /nfs/dbraw/zinc/67/43/71/432674371.db2.gz WBWFLNFRGHCAOD-APWZRJJASA-N 2 1 317.477 3.013 10 0 DGAEMP Cc1nn(C(C)(C)C)cc1[C@H](C)[NH2+]CCC[NH+]1CCCCC1 ZINC000178409388 432731337 /nfs/dbraw/zinc/73/13/37/432731337.db2.gz MPDNKDSLJMKKGP-HNNXBMFYSA-N 2 1 306.498 3.473 10 0 DGAEMP Cc1ccccc1[C@@H](C)[N@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000178422824 432733457 /nfs/dbraw/zinc/73/34/57/432733457.db2.gz DCTRXTLCOVIBPU-IAGOWNOFSA-N 2 1 304.478 3.081 10 0 DGAEMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H](C)c2ccc(OC)cc2)[C@H](C)C1 ZINC000245873740 432867053 /nfs/dbraw/zinc/86/70/53/432867053.db2.gz SJXGESJNWMQGCI-FCEWJHQRSA-N 2 1 304.478 3.461 10 0 DGAEMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H](C)c2ccc(OC)cc2)[C@H](C)C1 ZINC000245873740 432867056 /nfs/dbraw/zinc/86/70/56/432867056.db2.gz SJXGESJNWMQGCI-FCEWJHQRSA-N 2 1 304.478 3.461 10 0 DGAEMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H](C)c2ccc(OC)cc2)[C@H](C)C1 ZINC000245873740 432867057 /nfs/dbraw/zinc/86/70/57/432867057.db2.gz SJXGESJNWMQGCI-FCEWJHQRSA-N 2 1 304.478 3.461 10 0 DGAEMP O[C@H](C[C@@H]1CCC[N@H+]1CCC[NH+]1CCCC1)c1cccs1 ZINC000163230456 432846079 /nfs/dbraw/zinc/84/60/79/432846079.db2.gz PRDWFIOOGYPJRX-JKSUJKDBSA-N 2 1 308.491 3.122 10 0 DGAEMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](Cc2ccccc2OC)C(C)C)C1 ZINC000163305794 432850034 /nfs/dbraw/zinc/85/00/34/432850034.db2.gz KFFAMFTZHVYXPA-AEFFLSMTSA-N 2 1 304.478 3.194 10 0 DGAEMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@@H]1CCCC[C@H]1O ZINC000453368868 433126246 /nfs/dbraw/zinc/12/62/46/433126246.db2.gz MSFVDWLQOADVFS-GSEOLPGOSA-N 2 1 316.489 3.038 10 0 DGAEMP CO[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000361456010 433180331 /nfs/dbraw/zinc/18/03/31/433180331.db2.gz HFIIUECUOKBNCX-XGXHKWSGSA-N 2 1 302.462 3.197 10 0 DGAEMP CO[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000361456010 433180343 /nfs/dbraw/zinc/18/03/43/433180343.db2.gz HFIIUECUOKBNCX-XGXHKWSGSA-N 2 1 302.462 3.197 10 0 DGAEMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@]1(C)CCCO1 ZINC000362011619 433491297 /nfs/dbraw/zinc/49/12/97/433491297.db2.gz FRVLVSKOPHCIPD-NEWSRXKRSA-N 2 1 302.462 3.056 10 0 DGAEMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H]1CCCS1 ZINC000362024191 433493858 /nfs/dbraw/zinc/49/38/58/433493858.db2.gz IAXQETDEMCNDLN-NXHRZFHOSA-N 2 1 304.503 3.382 10 0 DGAEMP Cc1cc(NC[C@H](C)[N@H+]2CCOC[C@@H]2C)c2cc(F)ccc2[nH+]1 ZINC000301687061 433677132 /nfs/dbraw/zinc/67/71/32/433677132.db2.gz VAZOCXXOENADLS-KBPBESRZSA-N 2 1 317.408 3.203 10 0 DGAEMP Cc1nccc(C[NH+]2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)n1 ZINC000373613631 293297191 /nfs/dbraw/zinc/29/71/91/293297191.db2.gz UWUQASCLQGIGQE-INIZCTEOSA-N 2 1 316.493 3.262 10 0 DGAEMP Cc1cc(NC[C@H](c2cccs2)[N@H+]2CCO[C@@H](C)C2)cc[nH+]1 ZINC000302212341 433817717 /nfs/dbraw/zinc/81/77/17/433817717.db2.gz DUDRQYIICRCERY-GOEBONIOSA-N 2 1 317.458 3.325 10 0 DGAEMP Cc1cc(NC[C@H](c2cccs2)[N@@H+]2CCO[C@@H](C)C2)cc[nH+]1 ZINC000302212341 433817727 /nfs/dbraw/zinc/81/77/27/433817727.db2.gz DUDRQYIICRCERY-GOEBONIOSA-N 2 1 317.458 3.325 10 0 DGAEMP C[C@@H]1CSC[C@@H]1[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000309750631 434095431 /nfs/dbraw/zinc/09/54/31/434095431.db2.gz ZFBYRHJFBYQJAV-SJQORLFUSA-N 2 1 316.514 3.238 10 0 DGAEMP Cn1c[nH+]cc1CC[NH2+][C@@H](COc1ccccc1F)C(C)(C)C ZINC000459384033 293970031 /nfs/dbraw/zinc/97/00/31/293970031.db2.gz CAWNUVUIUCZUMD-KRWDZBQOSA-N 2 1 319.424 3.185 10 0 DGAEMP O[C@H](C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)CC1CCCC1 ZINC000381763089 434275236 /nfs/dbraw/zinc/27/52/36/434275236.db2.gz LRJMPXPEKSDVNC-PMACEKPBSA-N 2 1 316.489 3.039 10 0 DGAEMP C[C@@H](C[NH2+][C@@H]1CCc2sc(Br)cc21)C[NH+](C)C ZINC000383457574 434288097 /nfs/dbraw/zinc/28/80/97/434288097.db2.gz IJATTWBLVMWPLH-GXSJLCMTSA-N 2 1 317.296 3.285 10 0 DGAEMP C[C@H]([NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1)[C@H]1CC1(C)C ZINC000397629189 434441329 /nfs/dbraw/zinc/44/13/29/434441329.db2.gz NPIXZLVSGUQNKY-YTQUADARSA-N 2 1 316.489 3.302 10 0 DGAEMP C[C@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)[C@H]1CC1(C)C ZINC000397629189 434441340 /nfs/dbraw/zinc/44/13/40/434441340.db2.gz NPIXZLVSGUQNKY-YTQUADARSA-N 2 1 316.489 3.302 10 0 DGAEMP c1ccc(C[N@H+]2CC[C@H]([NH2+][C@@H]3CCCOC3)[C@@H]3CCC[C@@H]32)cc1 ZINC000453104482 434802907 /nfs/dbraw/zinc/80/29/07/434802907.db2.gz UENOBBSDHPLOOV-FYQPLNBISA-N 2 1 314.473 3.198 10 0 DGAEMP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)N[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000580062425 435202295 /nfs/dbraw/zinc/20/22/95/435202295.db2.gz ZDJUOAANZAYAEV-IHPCNDPISA-N 2 1 317.521 3.121 10 0 DGAEMP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)N[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000580062425 435202298 /nfs/dbraw/zinc/20/22/98/435202298.db2.gz ZDJUOAANZAYAEV-IHPCNDPISA-N 2 1 317.521 3.121 10 0 DGAEMP CC(C)[C@H](CO)C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000567773067 435354301 /nfs/dbraw/zinc/35/43/01/435354301.db2.gz AQZBVILJUYRWCW-HAGHYFMRSA-N 2 1 316.489 3.036 10 0 DGAEMP c1ccc(Oc2cccnc2)c(C[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)c1 ZINC000567990261 435377424 /nfs/dbraw/zinc/37/74/24/435377424.db2.gz NWAHJHIFHPLDRT-HXUWFJFHSA-N 2 1 323.440 3.449 10 0 DGAEMP c1ccc(Oc2cccnc2)c(C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)c1 ZINC000567990261 435377429 /nfs/dbraw/zinc/37/74/29/435377429.db2.gz NWAHJHIFHPLDRT-HXUWFJFHSA-N 2 1 323.440 3.449 10 0 DGAEMP CCCC[N@@H+](C)CCN[C@@H]1CC[NH+](Cc2ccccc2)C[C@H]1C ZINC000482954529 435488524 /nfs/dbraw/zinc/48/85/24/435488524.db2.gz DPWKBNAEOIJWMI-UYAOXDASSA-N 2 1 317.521 3.219 10 0 DGAEMP CCCC[NH+](C)CCN[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000482954529 435488528 /nfs/dbraw/zinc/48/85/28/435488528.db2.gz DPWKBNAEOIJWMI-UYAOXDASSA-N 2 1 317.521 3.219 10 0 DGAEMP CCCC[NH+](C)CCN[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000482954529 435488531 /nfs/dbraw/zinc/48/85/31/435488531.db2.gz DPWKBNAEOIJWMI-UYAOXDASSA-N 2 1 317.521 3.219 10 0 DGAEMP CC[C@H](C)[C@](C)(O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000482951799 435489378 /nfs/dbraw/zinc/48/93/78/435489378.db2.gz AYFLCWVQTTZPFJ-PIKOESSRSA-N 2 1 318.505 3.284 10 0 DGAEMP CO[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)C1(C)C ZINC000484287614 435541975 /nfs/dbraw/zinc/54/19/75/435541975.db2.gz GUGGBYAXDINZOV-XGXHKWSGSA-N 2 1 316.489 3.300 10 0 DGAEMP CO[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)C1(C)C ZINC000484287614 435541979 /nfs/dbraw/zinc/54/19/79/435541979.db2.gz GUGGBYAXDINZOV-XGXHKWSGSA-N 2 1 316.489 3.300 10 0 DGAEMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CC[C@H](CO)CC1 ZINC000484500183 435546149 /nfs/dbraw/zinc/54/61/49/435546149.db2.gz HOOWNPQGTCMDDM-LEAZDLGRSA-N 2 1 316.489 3.038 10 0 DGAEMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CC[C@H](CO)CC1 ZINC000484500183 435546153 /nfs/dbraw/zinc/54/61/53/435546153.db2.gz HOOWNPQGTCMDDM-LEAZDLGRSA-N 2 1 316.489 3.038 10 0 DGAEMP CC(C)C[C@H](C)[NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000531677769 313479749 /nfs/dbraw/zinc/47/97/49/313479749.db2.gz VYQWQVMZMRFXBT-HOTGVXAUSA-N 2 1 309.523 3.061 10 0 DGAEMP c1ccc(C[N@H+]2CC[C@H]([NH2+]C[C@H]3CCCCO3)CC23CC3)cc1 ZINC000566216110 315322485 /nfs/dbraw/zinc/32/24/85/315322485.db2.gz OIKLMEZAYNZOJY-RBUKOAKNSA-N 2 1 314.473 3.342 10 0 DGAEMP c1ccc(C[N@@H+]2CC[C@H]([NH2+]C[C@H]3CCCCO3)CC23CC3)cc1 ZINC000566216110 315322489 /nfs/dbraw/zinc/32/24/89/315322489.db2.gz OIKLMEZAYNZOJY-RBUKOAKNSA-N 2 1 314.473 3.342 10 0 DGAEMP C[C@@H](NCC1([N@@H+](C)Cc2ccccc2)CCC1)[C@H]1CCC[NH2+]C1 ZINC000578004963 316293253 /nfs/dbraw/zinc/29/32/53/316293253.db2.gz SSZWJWNKRVZGBT-MJGOQNOKSA-N 2 1 315.505 3.019 10 0 DGAEMP C[C@@H]([NH2+]CC1(N(C)Cc2ccccc2)CCC1)[C@H]1CCC[NH2+]C1 ZINC000578004963 316293254 /nfs/dbraw/zinc/29/32/54/316293254.db2.gz SSZWJWNKRVZGBT-MJGOQNOKSA-N 2 1 315.505 3.019 10 0 DGAEMP c1cc2c(cc1C[N@H+]1CCS[C@@H]3CCCC[C@H]31)C[NH2+]CC2 ZINC000581553618 324129813 /nfs/dbraw/zinc/12/98/13/324129813.db2.gz YBFKAUHYECNHDT-QZTJIDSGSA-N 2 1 302.487 3.192 10 0 DGAEMP C[C@H]1C[C@H]([NH2+]CCOCC2CCC2)CC[N@@H+]1Cc1ccccc1 ZINC000583726899 324389367 /nfs/dbraw/zinc/38/93/67/324389367.db2.gz IKFYIZBSAJZKMP-FXAWDEMLSA-N 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ZINC000178422832 198864605 /nfs/dbraw/zinc/86/46/05/198864605.db2.gz DCTRXTLCOVIBPU-SJORKVTESA-N 2 1 304.478 3.081 10 0 DGAEMP c1c(C[N@@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)[nH]nc1-c1ccccc1 ZINC000415032279 237020512 /nfs/dbraw/zinc/02/05/12/237020512.db2.gz AAQABOPCYMNSHJ-VQIMIIECSA-N 2 1 310.445 3.041 10 0 DGAEMP c1c(C[N@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)[nH]nc1-c1ccccc1 ZINC000415032279 237020523 /nfs/dbraw/zinc/02/05/23/237020523.db2.gz AAQABOPCYMNSHJ-VQIMIIECSA-N 2 1 310.445 3.041 10 0 DGAEMP COc1ccc(C[C@H](C)C[N@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)cc1F ZINC000186830610 200018112 /nfs/dbraw/zinc/01/81/12/200018112.db2.gz BWOFJENXPNYWSY-UXLLHSPISA-N 2 1 322.468 3.427 10 0 DGAEMP COc1ccc(C[C@H](C)C[N@@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)cc1F ZINC000186830610 200018114 /nfs/dbraw/zinc/01/81/14/200018114.db2.gz BWOFJENXPNYWSY-UXLLHSPISA-N 2 1 322.468 3.427 10 0 DGAEMP COc1ccc(C[C@H](C)C[NH+](C)[C@H]2CC[N@H+](C)[C@H](C)C2)cc1F ZINC000186830610 200018116 /nfs/dbraw/zinc/01/81/16/200018116.db2.gz BWOFJENXPNYWSY-UXLLHSPISA-N 2 1 322.468 3.427 10 0 DGAEMP COc1ccc(C[C@H](C)C[NH+](C)[C@H]2CC[N@@H+](C)[C@H](C)C2)cc1F ZINC000186830610 200018117 /nfs/dbraw/zinc/01/81/17/200018117.db2.gz BWOFJENXPNYWSY-UXLLHSPISA-N 2 1 322.468 3.427 10 0 DGAEMP COc1ccc2oc(C[N@H+]3CC[C@@H]4[C@H](CCC[NH+]4C)C3)cc2c1 ZINC000246134956 432098642 /nfs/dbraw/zinc/09/86/42/432098642.db2.gz KZXQKXQGZOTOCH-RDTXWAMCSA-N 2 1 314.429 3.358 10 0 DGAEMP COc1ccc2oc(C[NH+]3CC[C@@H]4[C@H](CCC[N@@H+]4C)C3)cc2c1 ZINC000246134956 432098645 /nfs/dbraw/zinc/09/86/45/432098645.db2.gz KZXQKXQGZOTOCH-RDTXWAMCSA-N 2 1 314.429 3.358 10 0 DGAEMP COc1ccc2oc(C[NH+]3CC[C@@H]4[C@H](CCC[N@H+]4C)C3)cc2c1 ZINC000246134956 432098650 /nfs/dbraw/zinc/09/86/50/432098650.db2.gz KZXQKXQGZOTOCH-RDTXWAMCSA-N 2 1 314.429 3.358 10 0 DGAEMP CC[C@H](N[C@H]1C[N@@H+](C(C)C)C[C@H]1C)c1ccc2c(c1)OCCO2 ZINC000246247082 432111997 /nfs/dbraw/zinc/11/19/97/432111997.db2.gz OXOWHBCLQBDKHE-PVAVHDDUSA-N 2 1 318.461 3.227 10 0 DGAEMP Cc1ccc(C)c([C@H]2C[N@@H+](CC3CC[NH2+]CC3)[C@@H](C)CO2)c1 ZINC000246269570 432114039 /nfs/dbraw/zinc/11/40/39/432114039.db2.gz LSDJDBIVCGYMPJ-QFBILLFUSA-N 2 1 302.462 3.065 10 0 DGAEMP c1ccc(OC2CCC2)c(C[NH2+]C2CCN(C3CC3)CC2)c1 ZINC000459415391 243362578 /nfs/dbraw/zinc/36/25/78/243362578.db2.gz RYACVQOXHRXGTH-UHFFFAOYSA-N 2 1 300.446 3.334 10 0 DGAEMP CCCOc1ccc(OCC[N@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)cc1 ZINC000123705864 284244091 /nfs/dbraw/zinc/24/40/91/284244091.db2.gz VQAJIJPSXINJIZ-IAGOWNOFSA-N 2 1 320.477 3.269 10 0 DGAEMP CCCOc1ccc(OCC[N@@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)cc1 ZINC000123705864 284244093 /nfs/dbraw/zinc/24/40/93/284244093.db2.gz VQAJIJPSXINJIZ-IAGOWNOFSA-N 2 1 320.477 3.269 10 0 DGAEMP CCCOc1ccc(OCC[NH+](C)[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000123705864 284244096 /nfs/dbraw/zinc/24/40/96/284244096.db2.gz VQAJIJPSXINJIZ-IAGOWNOFSA-N 2 1 320.477 3.269 10 0 DGAEMP CCCOc1ccc(OCC[NH+](C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000123705864 284244099 /nfs/dbraw/zinc/24/40/99/284244099.db2.gz VQAJIJPSXINJIZ-IAGOWNOFSA-N 2 1 320.477 3.269 10 0 DGAEMP c1ncc(C[N@H+]2CCC[C@H](c3ncc4n3CCCC4)C2)s1 ZINC000282767865 217237281 /nfs/dbraw/zinc/23/72/81/217237281.db2.gz PIFSFOIFRKNZHY-ZDUSSCGKSA-N 2 1 302.447 3.056 10 0 DGAEMP CC[N@H+]1CC[C@H]([NH+](C)CCOc2ccc(SC)cc2)[C@@H](C)C1 ZINC000246437025 432129964 /nfs/dbraw/zinc/12/99/64/432129964.db2.gz DDDLBTLOJQXKNO-YJBOKZPZSA-N 2 1 322.518 3.449 10 0 DGAEMP CC[NH+]1CC[C@H]([N@H+](C)CCOc2ccc(SC)cc2)[C@@H](C)C1 ZINC000246437025 432129968 /nfs/dbraw/zinc/12/99/68/432129968.db2.gz DDDLBTLOJQXKNO-YJBOKZPZSA-N 2 1 322.518 3.449 10 0 DGAEMP CC[NH+]1CC[C@H]([N@@H+](C)CCOc2ccc(SC)cc2)[C@@H](C)C1 ZINC000246437025 432129971 /nfs/dbraw/zinc/12/99/71/432129971.db2.gz DDDLBTLOJQXKNO-YJBOKZPZSA-N 2 1 322.518 3.449 10 0 DGAEMP COCC[N@@H+](C)CCC[NH2+][C@@H](c1ccc(F)c(F)c1)C(C)C ZINC000181943621 432150015 /nfs/dbraw/zinc/15/00/15/432150015.db2.gz FKPOHXKBDDBCKF-QGZVFWFLSA-N 2 1 314.420 3.220 10 0 DGAEMP COc1cc([C@H](C)[NH2+]C[C@H](C)Cn2cc[nH+]c2C)ccc1F ZINC000153586266 284679636 /nfs/dbraw/zinc/67/96/36/284679636.db2.gz WLALBZIUCJBWPL-STQMWFEESA-N 2 1 305.397 3.326 10 0 DGAEMP CC[N@@H+](C[C@H](C)COC)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000249247608 285064565 /nfs/dbraw/zinc/06/45/65/285064565.db2.gz BHRZTNYQMKSWKE-PKOBYXMFSA-N 2 1 304.478 3.113 10 0 DGAEMP CC[NH+](C[C@H](C)COC)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000249247608 285064568 /nfs/dbraw/zinc/06/45/68/285064568.db2.gz BHRZTNYQMKSWKE-PKOBYXMFSA-N 2 1 304.478 3.113 10 0 DGAEMP CC[NH+](C[C@H](C)COC)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000249247608 285064570 /nfs/dbraw/zinc/06/45/70/285064570.db2.gz BHRZTNYQMKSWKE-PKOBYXMFSA-N 2 1 304.478 3.113 10 0 DGAEMP c1ccc(C[N@@H+]2CCCC[C@@H](C[NH2+]CC3CCOCC3)C2)cc1 ZINC000289801702 221237225 /nfs/dbraw/zinc/23/72/25/221237225.db2.gz MFEUYYPIQBTRJP-FQEVSTJZSA-N 2 1 316.489 3.305 10 0 DGAEMP Cn1cc[nH+]c1CC1CC[NH+](Cc2cccc3[nH]ccc32)CC1 ZINC000121805592 195351885 /nfs/dbraw/zinc/35/18/85/195351885.db2.gz SYHXIZPCMHMRCX-UHFFFAOYSA-N 2 1 308.429 3.356 10 0 DGAEMP C[NH2+]CCOCC[N@H+](C)[C@@H](C)c1cc(Cl)ccc1Cl ZINC000629570758 400980373 /nfs/dbraw/zinc/98/03/73/400980373.db2.gz CKYILUOBNHUORR-NSHDSACASA-N 2 1 305.249 3.222 10 0 DGAEMP C[NH2+]CCOCC[N@@H+](C)[C@@H](C)c1cc(Cl)ccc1Cl ZINC000629570758 400980378 /nfs/dbraw/zinc/98/03/78/400980378.db2.gz CKYILUOBNHUORR-NSHDSACASA-N 2 1 305.249 3.222 10 0 DGAEMP Cc1cc(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)ccn1 ZINC000631194429 401422628 /nfs/dbraw/zinc/42/26/28/401422628.db2.gz LAMDUNWEKMEKQS-JXFKEZNVSA-N 2 1 309.457 3.248 10 0 DGAEMP CC[C@H](c1ccc(Br)cc1)[N@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000631839302 401559895 /nfs/dbraw/zinc/55/98/95/401559895.db2.gz DEFADDWIRHXTCU-OSAQELSMSA-N 2 1 311.267 3.427 10 0 DGAEMP CCOCCCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000364438818 287026692 /nfs/dbraw/zinc/02/66/92/287026692.db2.gz BVWJGPCPHATPLR-IEBWSBKVSA-N 2 1 304.478 3.303 10 0 DGAEMP CCOCCCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000364438818 287026693 /nfs/dbraw/zinc/02/66/93/287026693.db2.gz BVWJGPCPHATPLR-IEBWSBKVSA-N 2 1 304.478 3.303 10 0 DGAEMP C[C@H](NC[C@@]1(C)CCC[N@H+]1Cc1ccccc1)c1cnn(C)c1 ZINC000187702853 165100566 /nfs/dbraw/zinc/10/05/66/165100566.db2.gz WKDFFPDJSZCOHX-QFBILLFUSA-N 2 1 312.461 3.125 10 0 DGAEMP C[C@H](NC[C@]1(C)CCC[N@H+]1Cc1ccccc1)c1cnn(C)c1 ZINC000187702815 165101430 /nfs/dbraw/zinc/10/14/30/165101430.db2.gz WKDFFPDJSZCOHX-LPHOPBHVSA-N 2 1 312.461 3.125 10 0 DGAEMP Cc1cc(-n2ccnc2)ccc1C[N@H+]1CCO[C@@H]2CCCC[C@@H]21 ZINC000191948006 165277636 /nfs/dbraw/zinc/27/76/36/165277636.db2.gz COYPPIJUUBWPAI-RBUKOAKNSA-N 2 1 311.429 3.324 10 0 DGAEMP Cc1cccc(C)c1OCCC[N@H+](C)[C@@H]1CCN(C)[C@@H](C)C1 ZINC000246689692 432156191 /nfs/dbraw/zinc/15/61/91/432156191.db2.gz KDWXSDRXSZMKTI-ZWKOTPCHSA-N 2 1 304.478 3.487 10 0 DGAEMP Cc1cccc(C)c1OCCC[NH+](C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000246689692 432156196 /nfs/dbraw/zinc/15/61/96/432156196.db2.gz KDWXSDRXSZMKTI-ZWKOTPCHSA-N 2 1 304.478 3.487 10 0 DGAEMP Cc1cccc(C)c1OCCC[NH+](C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000246689692 432156200 /nfs/dbraw/zinc/15/62/00/432156200.db2.gz KDWXSDRXSZMKTI-ZWKOTPCHSA-N 2 1 304.478 3.487 10 0 DGAEMP Cc1cccc(C)c1OCCC[N@@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000246689692 432156207 /nfs/dbraw/zinc/15/62/07/432156207.db2.gz KDWXSDRXSZMKTI-ZWKOTPCHSA-N 2 1 304.478 3.487 10 0 DGAEMP Cc1cccc(C)c1OCCC[N@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000246689692 432156213 /nfs/dbraw/zinc/15/62/13/432156213.db2.gz KDWXSDRXSZMKTI-ZWKOTPCHSA-N 2 1 304.478 3.487 10 0 DGAEMP CC[N@H+]1CC[C@@H](C[NH2+][C@H](Cc2ccccc2OC)C(C)C)C1 ZINC000246991684 432188647 /nfs/dbraw/zinc/18/86/47/432188647.db2.gz KFFAMFTZHVYXPA-FUHWJXTLSA-N 2 1 304.478 3.194 10 0 DGAEMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccccc2-n2ccc(C)n2)[C@@H](C)C1 ZINC000247289184 432218671 /nfs/dbraw/zinc/21/86/71/432218671.db2.gz UBQNKCCCXFBUNP-MAUKXSAKSA-N 2 1 312.461 3.001 10 0 DGAEMP Cc1ccccc1[C@@H](C)[N@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000247942486 432253748 /nfs/dbraw/zinc/25/37/48/432253748.db2.gz DCTRXTLCOVIBPU-DLBZAZTESA-N 2 1 304.478 3.081 10 0 DGAEMP C[N@@H+]1CCC[C@H]2C[NH+](CCSc3ccccc3F)CC[C@H]21 ZINC000247975769 432259811 /nfs/dbraw/zinc/25/98/11/432259811.db2.gz HUEMPQCEHJLWSJ-GOEBONIOSA-N 2 1 308.466 3.334 10 0 DGAEMP C[N@H+]1CCC[C@H]2C[NH+](CCSc3ccccc3F)CC[C@H]21 ZINC000247975769 432259817 /nfs/dbraw/zinc/25/98/17/432259817.db2.gz HUEMPQCEHJLWSJ-GOEBONIOSA-N 2 1 308.466 3.334 10 0 DGAEMP C[NH+]1CCC[C@H]2C[N@H+](CCSc3ccccc3F)CC[C@H]21 ZINC000247975769 432259819 /nfs/dbraw/zinc/25/98/19/432259819.db2.gz HUEMPQCEHJLWSJ-GOEBONIOSA-N 2 1 308.466 3.334 10 0 DGAEMP C[NH+]1CCC[C@H]2C[N@@H+](CCSc3ccccc3F)CC[C@H]21 ZINC000247975769 432259824 /nfs/dbraw/zinc/25/98/24/432259824.db2.gz HUEMPQCEHJLWSJ-GOEBONIOSA-N 2 1 308.466 3.334 10 0 DGAEMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](CCC[NH+]2CCCC2)CC1 ZINC000119443936 431692027 /nfs/dbraw/zinc/69/20/27/431692027.db2.gz ZIWHIZOSDZOWRY-LJQANCHMSA-N 2 1 321.553 3.449 10 0 DGAEMP C[C@@H]1CCCC[N@@H+]1CCC1CCN(CCC[NH+]2CCCC2)CC1 ZINC000119443936 431692031 /nfs/dbraw/zinc/69/20/31/431692031.db2.gz ZIWHIZOSDZOWRY-LJQANCHMSA-N 2 1 321.553 3.449 10 0 DGAEMP C[C@@H]1CCCC[N@H+]1CCC1CCN(CCC[NH+]2CCCC2)CC1 ZINC000119443936 431692037 /nfs/dbraw/zinc/69/20/37/431692037.db2.gz ZIWHIZOSDZOWRY-LJQANCHMSA-N 2 1 321.553 3.449 10 0 DGAEMP CC1CCC(C[N@@H+](C)C2CCN(CCn3cccn3)CC2)CC1 ZINC000121240267 431760379 /nfs/dbraw/zinc/76/03/79/431760379.db2.gz GHCPVZXHVOSDAA-UHFFFAOYSA-N 2 1 318.509 3.106 10 0 DGAEMP CC[N@H+]1CC[C@H](N(C)Cc2nc3ccccc3s2)[C@H](C)C1 ZINC000081095380 431783835 /nfs/dbraw/zinc/78/38/35/431783835.db2.gz DGNHZVJTDIORNS-HIFRSBDPSA-N 2 1 303.475 3.458 10 0 DGAEMP CC[N@H+]1CC[C@H](N(C)Cc2ccccc2OC(F)F)[C@H](C)C1 ZINC000081095966 431784003 /nfs/dbraw/zinc/78/40/03/431784003.db2.gz NOVWRILMTWODKX-HIFRSBDPSA-N 2 1 312.404 3.450 10 0 DGAEMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccccc2OC(F)F)[C@H](C)C1 ZINC000081095966 431784017 /nfs/dbraw/zinc/78/40/17/431784017.db2.gz NOVWRILMTWODKX-HIFRSBDPSA-N 2 1 312.404 3.450 10 0 DGAEMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccccc2OC(F)F)[C@H](C)C1 ZINC000081095966 431784023 /nfs/dbraw/zinc/78/40/23/431784023.db2.gz NOVWRILMTWODKX-HIFRSBDPSA-N 2 1 312.404 3.450 10 0 DGAEMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccccc2OC(F)F)[C@H](C)C1 ZINC000081095966 431784030 /nfs/dbraw/zinc/78/40/30/431784030.db2.gz NOVWRILMTWODKX-HIFRSBDPSA-N 2 1 312.404 3.450 10 0 DGAEMP Cc1ccc2c(CN(C)[C@@H]3CC[N@@H+](C)[C@H](C)C3)cc(=O)oc2c1 ZINC000123158754 431856886 /nfs/dbraw/zinc/85/68/86/431856886.db2.gz RPEHVVBVAXEDOY-GDBMZVCRSA-N 2 1 314.429 3.016 10 0 DGAEMP Cc1ccc2c(C[N@@H+](C)[C@@H]3CCN(C)[C@H](C)C3)cc(=O)oc2c1 ZINC000123158754 431856888 /nfs/dbraw/zinc/85/68/88/431856888.db2.gz RPEHVVBVAXEDOY-GDBMZVCRSA-N 2 1 314.429 3.016 10 0 DGAEMP Cc1ccc2c(C[N@H+](C)[C@@H]3CCN(C)[C@H](C)C3)cc(=O)oc2c1 ZINC000123158754 431856889 /nfs/dbraw/zinc/85/68/89/431856889.db2.gz RPEHVVBVAXEDOY-GDBMZVCRSA-N 2 1 314.429 3.016 10 0 DGAEMP Cc1cc(Cl)ccc1NC(=O)CN(C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000123429390 431864606 /nfs/dbraw/zinc/86/46/06/431864606.db2.gz MUCZTWCOLSDKMR-HIFRSBDPSA-N 2 1 323.868 3.001 10 0 DGAEMP C[C@@H]1C[C@@H]([N@@H+](C)Cc2ccc(OC(F)(F)F)cc2)CCN1C ZINC000123602623 431869333 /nfs/dbraw/zinc/86/93/33/431869333.db2.gz DIBTYGKONUVWQN-OCCSQVGLSA-N 2 1 316.367 3.500 10 0 DGAEMP C[C@@H]1C[C@@H](N(C)Cc2ccc(OC(F)(F)F)cc2)CC[N@@H+]1C ZINC000123602623 431869334 /nfs/dbraw/zinc/86/93/34/431869334.db2.gz DIBTYGKONUVWQN-OCCSQVGLSA-N 2 1 316.367 3.500 10 0 DGAEMP C[C@@H]1C[C@@H](N(C)Cc2ccc(OC(F)(F)F)cc2)CC[N@H+]1C ZINC000123602623 431869336 /nfs/dbraw/zinc/86/93/36/431869336.db2.gz DIBTYGKONUVWQN-OCCSQVGLSA-N 2 1 316.367 3.500 10 0 DGAEMP C[C@@H]1C[C@@H]([NH+](C)Cc2ccc(OC(F)(F)F)cc2)CC[N@@H+]1C ZINC000123602623 431869337 /nfs/dbraw/zinc/86/93/37/431869337.db2.gz DIBTYGKONUVWQN-OCCSQVGLSA-N 2 1 316.367 3.500 10 0 DGAEMP C[C@@H]1C[C@@H]([NH+](C)Cc2ccc(OC(F)(F)F)cc2)CC[N@H+]1C ZINC000123602623 431869339 /nfs/dbraw/zinc/86/93/39/431869339.db2.gz DIBTYGKONUVWQN-OCCSQVGLSA-N 2 1 316.367 3.500 10 0 DGAEMP C[C@@H]1C[C@@H]([N@H+](C)Cc2ccc(OC(F)(F)F)cc2)CC[NH+]1C ZINC000123602623 431869340 /nfs/dbraw/zinc/86/93/40/431869340.db2.gz DIBTYGKONUVWQN-OCCSQVGLSA-N 2 1 316.367 3.500 10 0 DGAEMP C[C@@H]1C[C@@H]([N@@H+](C)Cc2ccc(OC(F)(F)F)cc2)CC[NH+]1C ZINC000123602623 431869341 /nfs/dbraw/zinc/86/93/41/431869341.db2.gz DIBTYGKONUVWQN-OCCSQVGLSA-N 2 1 316.367 3.500 10 0 DGAEMP CCn1c2ccc(F)cc2nc1CN(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000123665372 431871384 /nfs/dbraw/zinc/87/13/84/431871384.db2.gz DZHWBTXODHPWSG-UKRRQHHQSA-N 2 1 318.440 3.110 10 0 DGAEMP CCn1c2ccc(F)cc2nc1CN(C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000123665533 431871538 /nfs/dbraw/zinc/87/15/38/431871538.db2.gz DZHWBTXODHPWSG-HIFRSBDPSA-N 2 1 318.440 3.110 10 0 DGAEMP c1coc(-c2cc(C[NH+]3CCC(C[NH+]4CCCC4)CC3)no2)c1 ZINC000047969332 431917120 /nfs/dbraw/zinc/91/71/20/431917120.db2.gz UDONWCLKQXGTGP-UHFFFAOYSA-N 2 1 315.417 3.242 10 0 DGAEMP Cc1cc(C)cc(OCCC[NH+](C)[C@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000248372095 432281574 /nfs/dbraw/zinc/28/15/74/432281574.db2.gz ZMKJDDGGJKOYLG-ROUUACIJSA-N 2 1 304.478 3.487 10 0 DGAEMP Cc1cc(C)cc(OCCC[NH+](C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000248372095 432281577 /nfs/dbraw/zinc/28/15/77/432281577.db2.gz ZMKJDDGGJKOYLG-ROUUACIJSA-N 2 1 304.478 3.487 10 0 DGAEMP Cc1cc(C)cc(OCCC[N@@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)c1 ZINC000248372095 432281578 /nfs/dbraw/zinc/28/15/78/432281578.db2.gz ZMKJDDGGJKOYLG-ROUUACIJSA-N 2 1 304.478 3.487 10 0 DGAEMP Cc1cc(C)cc(OCCC[N@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)c1 ZINC000248372095 432281582 /nfs/dbraw/zinc/28/15/82/432281582.db2.gz ZMKJDDGGJKOYLG-ROUUACIJSA-N 2 1 304.478 3.487 10 0 DGAEMP Cc1cccc(NC[C@@H]2CC[N@H+](Cc3ccccc3N(C)C)C2)n1 ZINC000173780322 432298802 /nfs/dbraw/zinc/29/88/02/432298802.db2.gz UNDHTPWJIJNMHM-KRWDZBQOSA-N 2 1 324.472 3.390 10 0 DGAEMP Cc1cccc(NC[C@@H]2CC[N@@H+](Cc3ccccc3N(C)C)C2)[nH+]1 ZINC000173780322 432298807 /nfs/dbraw/zinc/29/88/07/432298807.db2.gz UNDHTPWJIJNMHM-KRWDZBQOSA-N 2 1 324.472 3.390 10 0 DGAEMP Cc1cccc(NC[C@@H]2CC[N@H+](Cc3ccccc3N(C)C)C2)[nH+]1 ZINC000173780322 432298811 /nfs/dbraw/zinc/29/88/11/432298811.db2.gz UNDHTPWJIJNMHM-KRWDZBQOSA-N 2 1 324.472 3.390 10 0 DGAEMP C[N@H+]1CCC[C@H]2C[NH+](CCCOc3ccc(F)cc3)CC[C@H]21 ZINC000252696294 432386890 /nfs/dbraw/zinc/38/68/90/432386890.db2.gz XQNAFDITASVHKZ-MAUKXSAKSA-N 2 1 306.425 3.011 10 0 DGAEMP C[NH+]1CCC[C@H]2C[N@H+](CCCOc3ccc(F)cc3)CC[C@H]21 ZINC000252696294 432386893 /nfs/dbraw/zinc/38/68/93/432386893.db2.gz XQNAFDITASVHKZ-MAUKXSAKSA-N 2 1 306.425 3.011 10 0 DGAEMP C[NH+]1CCC[C@H]2C[N@@H+](CCCOc3ccc(F)cc3)CC[C@H]21 ZINC000252696294 432386896 /nfs/dbraw/zinc/38/68/96/432386896.db2.gz XQNAFDITASVHKZ-MAUKXSAKSA-N 2 1 306.425 3.011 10 0 DGAEMP c1cc(C[N@H+](C[C@@H]2CCSC2)[C@H]2CC23CC[NH2+]CC3)cs1 ZINC000261654335 432439224 /nfs/dbraw/zinc/43/92/24/432439224.db2.gz BHBCJPWNGVLGDT-HOTGVXAUSA-N 2 1 322.543 3.445 10 0 DGAEMP CCOc1cccc(C[N@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)c1 ZINC000261728534 432444723 /nfs/dbraw/zinc/44/47/23/432444723.db2.gz OAZGOHBOEPJSBT-QUCCMNQESA-N 2 1 310.441 3.260 10 0 DGAEMP c1cc([C@@H]2CCC[N@H+]2CCC[NH+]2CCCC2)cc2c1OCO2 ZINC000153480704 432413920 /nfs/dbraw/zinc/41/39/20/432413920.db2.gz SZPITWVXWUQGFG-INIZCTEOSA-N 2 1 302.418 3.038 10 0 DGAEMP c1cc([C@@H]2CCC[N@@H+]2CCC[NH+]2CCCC2)cc2c1OCO2 ZINC000153480704 432413924 /nfs/dbraw/zinc/41/39/24/432413924.db2.gz SZPITWVXWUQGFG-INIZCTEOSA-N 2 1 302.418 3.038 10 0 DGAEMP CC(C)CC1(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)CCCC1 ZINC000261938385 432461746 /nfs/dbraw/zinc/46/17/46/432461746.db2.gz MMSVLHORGSEXLU-RCCFBDPRSA-N 2 1 308.510 3.340 10 0 DGAEMP [NH3+]CC[C@H]1CCC[N@@H+](Cc2coc(-c3ccc(F)cc3)n2)C1 ZINC000262028023 432470661 /nfs/dbraw/zinc/47/06/61/432470661.db2.gz YNCNHTJLSTVTDO-CYBMUJFWSA-N 2 1 303.381 3.042 10 0 DGAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CCOc1ccccc1Cl ZINC000178292338 432716441 /nfs/dbraw/zinc/71/64/41/432716441.db2.gz KCTQXOPHWXMYNW-OAHLLOKOSA-N 2 1 319.836 3.388 10 0 DGAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1CCOc1ccccc1Cl ZINC000178292338 432716445 /nfs/dbraw/zinc/71/64/45/432716445.db2.gz KCTQXOPHWXMYNW-OAHLLOKOSA-N 2 1 319.836 3.388 10 0 DGAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CCOc1cc(C)ccc1C ZINC000178292411 432716823 /nfs/dbraw/zinc/71/68/23/432716823.db2.gz DKSXGDWYQNYUQH-GOSISDBHSA-N 2 1 313.445 3.352 10 0 DGAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1CCOc1cc(C)ccc1C ZINC000178292411 432716827 /nfs/dbraw/zinc/71/68/27/432716827.db2.gz DKSXGDWYQNYUQH-GOSISDBHSA-N 2 1 313.445 3.352 10 0 DGAEMP Cc1nccnc1[C@H](C)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000275943333 432761492 /nfs/dbraw/zinc/76/14/92/432761492.db2.gz ZIEANYBPSCKDGS-AYBZRNKSSA-N 2 1 324.472 3.346 10 0 DGAEMP Cc1nccnc1[C@H](C)[NH2+][C@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000275943333 432761495 /nfs/dbraw/zinc/76/14/95/432761495.db2.gz ZIEANYBPSCKDGS-AYBZRNKSSA-N 2 1 324.472 3.346 10 0 DGAEMP C[N@@H+](CCOc1c(Cl)cccc1Cl)[C@@H]1CCC[NH2+]CC1 ZINC000231670771 432733006 /nfs/dbraw/zinc/73/30/06/432733006.db2.gz ZJUCWZRJLIOEQT-GFCCVEGCSA-N 2 1 317.260 3.446 10 0 DGAEMP CC[N@H+]1CC[C@H]([NH+](C)CCOc2ccccc2Cl)[C@@H](C)C1 ZINC000245420965 432829885 /nfs/dbraw/zinc/82/98/85/432829885.db2.gz HSIHCFFKFQDOOJ-HOCLYGCPSA-N 2 1 310.869 3.381 10 0 DGAEMP CC[NH+]1CC[C@H]([N@H+](C)CCOc2ccccc2Cl)[C@@H](C)C1 ZINC000245420965 432829888 /nfs/dbraw/zinc/82/98/88/432829888.db2.gz HSIHCFFKFQDOOJ-HOCLYGCPSA-N 2 1 310.869 3.381 10 0 DGAEMP CCc1csc([C@H]2CCC[N@H+](CCC[NH+]3CCCC3)C2)n1 ZINC000163008826 432841341 /nfs/dbraw/zinc/84/13/41/432841341.db2.gz QDWKUBBQZPFZNT-HNNXBMFYSA-N 2 1 307.507 3.371 10 0 DGAEMP CCc1csc([C@H]2CCC[N@@H+](CCC[NH+]3CCCC3)C2)n1 ZINC000163008826 432841344 /nfs/dbraw/zinc/84/13/44/432841344.db2.gz QDWKUBBQZPFZNT-HNNXBMFYSA-N 2 1 307.507 3.371 10 0 DGAEMP c1c2cccnc2oc1CN1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000449049818 433707039 /nfs/dbraw/zinc/70/70/39/433707039.db2.gz SFKTYIFNTGYDME-MAUKXSAKSA-N 2 1 311.429 3.277 10 0 DGAEMP c1c2cccnc2oc1C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000449049818 433707046 /nfs/dbraw/zinc/70/70/46/433707046.db2.gz SFKTYIFNTGYDME-MAUKXSAKSA-N 2 1 311.429 3.277 10 0 DGAEMP c1c2cccnc2oc1C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000449049818 433707053 /nfs/dbraw/zinc/70/70/53/433707053.db2.gz SFKTYIFNTGYDME-MAUKXSAKSA-N 2 1 311.429 3.277 10 0 DGAEMP c1c2cccnc2oc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000449049818 433707060 /nfs/dbraw/zinc/70/70/60/433707060.db2.gz SFKTYIFNTGYDME-MAUKXSAKSA-N 2 1 311.429 3.277 10 0 DGAEMP CC(C)C[C@H]([NH3+])CN1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000414694172 433796074 /nfs/dbraw/zinc/79/60/74/433796074.db2.gz NSNSWBXPKQFFMS-FQEVSTJZSA-N 2 1 317.521 3.204 10 0 DGAEMP C[C@@H]1CSC[C@@H]1[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000309750630 434094914 /nfs/dbraw/zinc/09/49/14/434094914.db2.gz ZFBYRHJFBYQJAV-QTUASDBPSA-N 2 1 316.514 3.238 10 0 DGAEMP c1ccc([C@H]2CC[C@@H]([NH2+]CCC[NH2+]Cc3cccnc3)C2)cc1 ZINC000423188979 434269911 /nfs/dbraw/zinc/26/99/11/434269911.db2.gz OEHWEROYOHHTFG-VQTJNVASSA-N 2 1 309.457 3.487 10 0 DGAEMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1N[C@H]1CCC[NH2+]CC1 ZINC000390575582 434363475 /nfs/dbraw/zinc/36/34/75/434363475.db2.gz CYUUMXRPURXKOO-OALUTQOASA-N 2 1 315.505 3.019 10 0 DGAEMP CC1(C)CN(Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CCC[NH2+]CC1 ZINC000390575582 434363484 /nfs/dbraw/zinc/36/34/84/434363484.db2.gz CYUUMXRPURXKOO-OALUTQOASA-N 2 1 315.505 3.019 10 0 DGAEMP [NH3+][C@@H]1CCC[C@@H](NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000390722547 434366696 /nfs/dbraw/zinc/36/66/96/434366696.db2.gz ZPEYZYUXRJNOJK-KGEPEWOVSA-N 2 1 313.489 3.042 10 0 DGAEMP [NH3+][C@@H]1CCC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000390722547 434366705 /nfs/dbraw/zinc/36/67/05/434366705.db2.gz ZPEYZYUXRJNOJK-KGEPEWOVSA-N 3 1 313.489 3.042 10 0 DGAEMP [NH3+][C@@H]1CCC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000390722547 434366715 /nfs/dbraw/zinc/36/67/15/434366715.db2.gz ZPEYZYUXRJNOJK-KGEPEWOVSA-N 3 1 313.489 3.042 10 0 DGAEMP C[C@H]1CC[C@@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)O1 ZINC000390690437 434367706 /nfs/dbraw/zinc/36/77/06/434367706.db2.gz PJHHWVHGDFEGAB-VNVJMFPYSA-N 2 1 314.473 3.339 10 0 DGAEMP C[C@@H](CCCC[NH3+])[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000390905421 434376469 /nfs/dbraw/zinc/37/64/69/434376469.db2.gz KLZPHKKLTAHEPF-OHSMVPPVSA-N 3 1 315.505 3.289 10 0 DGAEMP C[C@@H](CCCC[NH3+])[NH2+]C1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000390905421 434376482 /nfs/dbraw/zinc/37/64/82/434376482.db2.gz KLZPHKKLTAHEPF-OHSMVPPVSA-N 2 1 315.505 3.289 10 0 DGAEMP c1ccc(C[N@H+]2CC[C@H]([NH2+][C@H]3CCCOC3)[C@@H]3CCC[C@H]32)cc1 ZINC000453236062 434836903 /nfs/dbraw/zinc/83/69/03/434836903.db2.gz UENOBBSDHPLOOV-LWYYNNOASA-N 2 1 314.473 3.198 10 0 DGAEMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H](O)CC(C)(C)C ZINC000483178824 435501234 /nfs/dbraw/zinc/50/12/34/435501234.db2.gz OPWNHHCOUYCRNT-QRQLOZEOSA-N 2 1 318.505 3.284 10 0 DGAEMP CCC[N@@H+](CC)CCN[C@@H]1CC[NH+](Cc2ccccc2)C[C@H]1C ZINC000484472063 435545139 /nfs/dbraw/zinc/54/51/39/435545139.db2.gz JPMNKJMZXBTDQY-UYAOXDASSA-N 2 1 317.521 3.219 10 0 DGAEMP CCC[NH+](CC)CCN[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000484472063 435545144 /nfs/dbraw/zinc/54/51/44/435545144.db2.gz JPMNKJMZXBTDQY-UYAOXDASSA-N 2 1 317.521 3.219 10 0 DGAEMP CCC[NH+](CC)CCN[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000484472063 435545146 /nfs/dbraw/zinc/54/51/46/435545146.db2.gz JPMNKJMZXBTDQY-UYAOXDASSA-N 2 1 317.521 3.219 10 0 DGAEMP c1ccc(CC[NH+]2CCC([NH2+]CCOCC3CCC3)CC2)cc1 ZINC000570769096 435647897 /nfs/dbraw/zinc/64/78/97/435647897.db2.gz IEGUQPGOKFHKAQ-UHFFFAOYSA-N 2 1 316.489 3.100 10 0 DGAEMP c1cc2c(cc1C[N@@H+]1CCO[C@@H](C3CCCCC3)C1)C[NH2+]CC2 ZINC000571453260 435708099 /nfs/dbraw/zinc/70/80/99/435708099.db2.gz PJFBHLWRHKCEEJ-HXUWFJFHSA-N 2 1 314.473 3.113 10 0 DGAEMP c1cc2c(cc1C[N@H+]1CCO[C@@H](C3CCCCC3)C1)C[NH2+]CC2 ZINC000571453260 435708101 /nfs/dbraw/zinc/70/81/01/435708101.db2.gz PJFBHLWRHKCEEJ-HXUWFJFHSA-N 2 1 314.473 3.113 10 0 DGAEMP c1ccc(C[N@H+]2CC[C@@H]([NH2+]C[C@@H]3CCCCO3)CC23CC3)cc1 ZINC000566216108 315322565 /nfs/dbraw/zinc/32/25/65/315322565.db2.gz OIKLMEZAYNZOJY-MOPGFXCFSA-N 2 1 314.473 3.342 10 0 DGAEMP c1ccc(C[N@@H+]2CC[C@@H]([NH2+]C[C@@H]3CCCCO3)CC23CC3)cc1 ZINC000566216108 315322568 /nfs/dbraw/zinc/32/25/68/315322568.db2.gz OIKLMEZAYNZOJY-MOPGFXCFSA-N 2 1 314.473 3.342 10 0 DGAEMP COc1ccc([C@@H](C)C[NH2+]C[C@@H](C)Cn2cc[nH+]c2C)cc1 ZINC000182461914 323299477 /nfs/dbraw/zinc/29/94/77/323299477.db2.gz LDIBKYLMGJESAF-CABCVRRESA-N 2 1 301.434 3.230 10 0 DGAEMP c1cc2c(cc1C[N@H+]1CCS[C@H]3CCCC[C@H]31)C[NH2+]CC2 ZINC000581553617 324129520 /nfs/dbraw/zinc/12/95/20/324129520.db2.gz YBFKAUHYECNHDT-MSOLQXFVSA-N 2 1 302.487 3.192 10 0 DGAEMP c1cc2c(cc1C[N@H+]1CCS[C@H]3CCCC[C@@H]31)C[NH2+]CC2 ZINC000581553619 324129612 /nfs/dbraw/zinc/12/96/12/324129612.db2.gz YBFKAUHYECNHDT-ROUUACIJSA-N 2 1 302.487 3.192 10 0 DGAEMP c1ccc2c(c1)CC[C@H](C[N@H+]1CC[C@@H](Oc3ccncc3)C1)C2 ZINC000584487625 337349692 /nfs/dbraw/zinc/34/96/92/337349692.db2.gz MBOSBZIJNHUKLX-OXJNMPFZSA-N 2 1 308.425 3.340 10 0 DGAEMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCOC2(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000294678405 533961982 /nfs/dbraw/zinc/96/19/82/533961982.db2.gz IAAQYAKIMFBRNJ-KBAYOESNSA-N 2 1 302.462 3.197 10 0 DGAEMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCOC2(C)C)CC[N@H+]1Cc1ccccc1 ZINC000294678405 533961988 /nfs/dbraw/zinc/96/19/88/533961988.db2.gz IAAQYAKIMFBRNJ-KBAYOESNSA-N 2 1 302.462 3.197 10 0 DGAEMP c1[nH]c(-c2ccccc2)nc1C[NH2+]CCCCC[NH+]1CCCC1 ZINC000292855214 534461490 /nfs/dbraw/zinc/46/14/90/534461490.db2.gz AHSYTYSGHFTAOS-UHFFFAOYSA-N 2 1 312.461 3.432 10 0 DGAEMP CC(C)CC[C@@H](O)C[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000482684773 534916228 /nfs/dbraw/zinc/91/62/28/534916228.db2.gz QIDHQFLPJZYLAW-RTBURBONSA-N 2 1 310.526 3.372 10 0 DGAEMP CC[N@H+]1CC[C@H]([NH+](C)CCCOCCc2ccccc2)[C@H](C)C1 ZINC000175719330 527831920 /nfs/dbraw/zinc/83/19/20/527831920.db2.gz SPQBKGSYYNJRGQ-QUCCMNQESA-N 2 1 318.505 3.298 10 0 DGAEMP CC[NH+]1CC[C@H]([N@H+](C)CCCOCCc2ccccc2)[C@H](C)C1 ZINC000175719330 527831928 /nfs/dbraw/zinc/83/19/28/527831928.db2.gz SPQBKGSYYNJRGQ-QUCCMNQESA-N 2 1 318.505 3.298 10 0 DGAEMP CC[NH+]1CC[C@H]([N@@H+](C)CCCOCCc2ccccc2)[C@H](C)C1 ZINC000175719330 527831932 /nfs/dbraw/zinc/83/19/32/527831932.db2.gz SPQBKGSYYNJRGQ-QUCCMNQESA-N 2 1 318.505 3.298 10 0 DGAEMP c1cncc(-c2ccc(C[NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)cc2)c1 ZINC000166745836 546096172 /nfs/dbraw/zinc/09/61/72/546096172.db2.gz JDNJFJMFESFJDO-VQTJNVASSA-N 2 1 307.441 3.465 10 0 DGAEMP C[C@@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1ccc([S@](C)=O)cc1 ZINC000247092871 546308602 /nfs/dbraw/zinc/30/86/02/546308602.db2.gz OCSOHZDTHALDKS-KJVVTGMDSA-N 2 1 320.502 3.090 10 0 DGAEMP C[C@@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1ccc([S@](C)=O)cc1 ZINC000247092871 546308606 /nfs/dbraw/zinc/30/86/06/546308606.db2.gz OCSOHZDTHALDKS-KJVVTGMDSA-N 2 1 320.502 3.090 10 0 DGAEMP C[C@H]([NH2+]CC[C@@H]1CCCO1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000381808177 546741017 /nfs/dbraw/zinc/74/10/17/546741017.db2.gz XZNVJWXWJDGJLX-WDSOQIARSA-N 2 1 302.462 3.056 10 0 DGAEMP C(CCC[N@H+]1CCCSCC1)CC[NH+]1CCCSCC1 ZINC000129135224 625530078 /nfs/dbraw/zinc/53/00/78/625530078.db2.gz RZZSXWQNCKJWHX-UHFFFAOYSA-N 2 1 316.580 3.425 10 0 DGAEMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1CCC(C)(O)CC1 ZINC000702988300 660752196 /nfs/dbraw/zinc/75/21/96/660752196.db2.gz MFEDBZHZOQSAHF-OTBHMBEGSA-N 2 1 316.489 3.180 10 0 DGAEMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1CCC(C)(O)CC1 ZINC000702988300 660752197 /nfs/dbraw/zinc/75/21/97/660752197.db2.gz MFEDBZHZOQSAHF-OTBHMBEGSA-N 2 1 316.489 3.180 10 0 DGAEMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C[NH2+]C1CCC(C)(O)CC1 ZINC000708561593 660924706 /nfs/dbraw/zinc/92/47/06/660924706.db2.gz UDADJSTUDBNEPL-YUKKFIBKSA-N 2 1 316.489 3.038 10 0 DGAEMP C[C@@H](c1cccc(Br)c1)[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723905135 655729433 /nfs/dbraw/zinc/72/94/33/655729433.db2.gz FECJRWUANMCMQK-MBNYWOFBSA-N 2 1 311.267 3.427 10 0 DGAEMP CC(C)(CCO)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716619582 661224955 /nfs/dbraw/zinc/22/49/55/661224955.db2.gz FKTKVXKRPBMQMP-OTWHNJEPSA-N 2 1 316.489 3.038 10 0 DGAEMP CCC[C@H](CCO)[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716619113 661224962 /nfs/dbraw/zinc/22/49/62/661224962.db2.gz BLCUQUJOKAMRNE-YRPNKDGESA-N 2 1 316.489 3.180 10 0 DGAEMP CCC[C@H](CCO)[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716619111 661225116 /nfs/dbraw/zinc/22/51/16/661225116.db2.gz BLCUQUJOKAMRNE-NMLBUPMWSA-N 2 1 316.489 3.180 10 0 DGAEMP CC(C)C[C@@H](CO)[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716620039 661225209 /nfs/dbraw/zinc/22/52/09/661225209.db2.gz KPBYOVDSWOGHPT-YRPNKDGESA-N 2 1 316.489 3.036 10 0 DGAEMP CC[C@H](C[C@H](C)O)[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716641235 661226132 /nfs/dbraw/zinc/22/61/32/661226132.db2.gz YDVCTEKCQJJZTQ-UVBQOVKKSA-N 2 1 316.489 3.179 10 0 DGAEMP C[C@@H]([NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2)c1cnn(C)c1 ZINC000716672798 661226762 /nfs/dbraw/zinc/22/67/62/661226762.db2.gz UILDZPQEQOMRAB-VUBSUSDNSA-N 2 1 324.472 3.124 10 0 DGAEMP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)[C@@H](C)O1 ZINC000716688851 661227362 /nfs/dbraw/zinc/22/73/62/661227362.db2.gz BXTUFQLLWBQDIS-ZPNQOMQUSA-N 2 1 314.473 3.195 10 0 DGAEMP C[C@@H]1CC[C@H](C[NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)O1 ZINC000716683835 661227443 /nfs/dbraw/zinc/22/74/43/661227443.db2.gz SPNYNDCGCYCRSK-QDGKJQRMSA-N 2 1 314.473 3.197 10 0 DGAEMP C[C@]1(C[N@H+]2CC[C@@H](c3cccc(C(F)(F)F)c3)C2)CC[NH2+]C1 ZINC000261927916 657199578 /nfs/dbraw/zinc/19/95/78/657199578.db2.gz CJQXIKYLLDZBPO-ZBFHGGJFSA-N 2 1 312.379 3.494 10 0 DGAEMP Cc1ccc(CC[N@@H+](C[C@@H]2CCCO2)C[C@@]2(C)CC[NH2+]C2)cc1 ZINC000261958462 659586854 /nfs/dbraw/zinc/58/68/54/659586854.db2.gz GYAZTYXIPKYXRE-PMACEKPBSA-N 2 1 316.489 3.018 10 0 DGAEMP c1n[nH]c2c1[C@H]([NH2+]CC1CC[NH+](Cc3ccccc3)CC1)CCC2 ZINC000353497898 659990673 /nfs/dbraw/zinc/99/06/73/659990673.db2.gz PPILZBUXGQWZFU-LJQANCHMSA-N 2 1 324.472 3.289 10 0 DGAEMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1CCCc2n[nH]cc21 ZINC000353521752 659995535 /nfs/dbraw/zinc/99/55/35/659995535.db2.gz SLCLPJRTEHGBNW-ATZDWAIDSA-N 2 1 324.472 3.287 10 0 DGAEMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1CCCc2n[nH]cc21 ZINC000353521752 659995538 /nfs/dbraw/zinc/99/55/38/659995538.db2.gz SLCLPJRTEHGBNW-ATZDWAIDSA-N 2 1 324.472 3.287 10 0 DGAEMP C[C@@H](CC[NH2+]Cc1cnn2ccccc12)[N@H+](C)Cc1ccccc1 ZINC000080234663 1197050991 /nfs/dbraw/zinc/05/09/91/1197050991.db2.gz IRDAGIOIHASBCD-KRWDZBQOSA-N 2 1 322.456 3.335 10 0 DGAEMP C[C@@H](CC[NH2+]Cc1cnn2ccccc12)[N@@H+](C)Cc1ccccc1 ZINC000080234663 1197050996 /nfs/dbraw/zinc/05/09/96/1197050996.db2.gz IRDAGIOIHASBCD-KRWDZBQOSA-N 2 1 322.456 3.335 10 0 DGAEMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CC(C)(C)CO2)CC[N@@H+]1Cc1ccccc1 ZINC000708393225 1082767929 /nfs/dbraw/zinc/76/79/29/1082767929.db2.gz RQCSSIGCDDMZBK-NZSAHSFTSA-N 2 1 316.489 3.444 10 0 DGAEMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CC(C)(C)CO2)CC[N@H+]1Cc1ccccc1 ZINC000708393225 1082767934 /nfs/dbraw/zinc/76/79/34/1082767934.db2.gz RQCSSIGCDDMZBK-NZSAHSFTSA-N 2 1 316.489 3.444 10 0 DGAEMP CO[C@@H]1CCC[C@@H]1[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309788825 231104140 /nfs/dbraw/zinc/10/41/40/231104140.db2.gz OCLZTIHOVBZSII-WZGPROSRSA-N 2 1 302.462 3.054 10 0 DGAEMP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccccc2OC2CCC2)[C@H](C)C1 ZINC000090027363 185279033 /nfs/dbraw/zinc/27/90/33/185279033.db2.gz CQCWQEQKUONZQF-CRAIPNDOSA-N 2 1 302.462 3.438 10 0 DGAEMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccccc2OC2CCC2)[C@H](C)C1 ZINC000090027363 185279034 /nfs/dbraw/zinc/27/90/34/185279034.db2.gz CQCWQEQKUONZQF-CRAIPNDOSA-N 2 1 302.462 3.438 10 0 DGAEMP CC(C)OCC[NH+]1CCC([NH2+]C[C@@H](C)Cc2ccccc2)CC1 ZINC000182067408 199382154 /nfs/dbraw/zinc/38/21/54/199382154.db2.gz ZNFHJCUFUKWLOW-SFHVURJKSA-N 2 1 318.505 3.344 10 0 DGAEMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]C1CCN(c2cccs2)CC1 ZINC000168430097 432068622 /nfs/dbraw/zinc/06/86/22/432068622.db2.gz YIXIATBXQXHEDF-IIAWOOMASA-N 2 1 307.507 3.035 10 0 DGAEMP C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)[C@@H]2CC[C@@H]([NH3+])C2)cc1 ZINC000237351415 202241673 /nfs/dbraw/zinc/24/16/73/202241673.db2.gz AJRXODWUNGTWKR-DJIMGWMZSA-N 2 1 315.461 3.127 10 0 DGAEMP C[N@@H+](Cc1cccnc1)C[C@@H]1CC[NH+](CCCc2ccccc2)C1 ZINC000195289976 201372995 /nfs/dbraw/zinc/37/29/95/201372995.db2.gz QFADPRVSQPZVFW-NRFANRHFSA-N 2 1 323.484 3.468 10 0 DGAEMP C[N@H+](Cc1cccnc1)C[C@@H]1CC[NH+](CCCc2ccccc2)C1 ZINC000195289976 201372998 /nfs/dbraw/zinc/37/29/98/201372998.db2.gz QFADPRVSQPZVFW-NRFANRHFSA-N 2 1 323.484 3.468 10 0 DGAEMP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@H+](CCCc2ccccc2)C1 ZINC000195289976 201373002 /nfs/dbraw/zinc/37/30/02/201373002.db2.gz QFADPRVSQPZVFW-NRFANRHFSA-N 2 1 323.484 3.468 10 0 DGAEMP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@@H+](CCCc2ccccc2)C1 ZINC000195289976 201373004 /nfs/dbraw/zinc/37/30/04/201373004.db2.gz QFADPRVSQPZVFW-NRFANRHFSA-N 2 1 323.484 3.468 10 0 DGAEMP Cc1cc(C[N@@H+]2CCCC[C@@H]2CC[NH3+])ccc1Br ZINC000091472120 193061571 /nfs/dbraw/zinc/06/15/71/193061571.db2.gz LWFVLDBCPCCVEI-CQSZACIVSA-N 2 1 311.267 3.461 10 0 DGAEMP Cc1cc(C[N@H+]2CCCC[C@@H]2CC[NH3+])ccc1Br ZINC000091472120 193061573 /nfs/dbraw/zinc/06/15/73/193061573.db2.gz LWFVLDBCPCCVEI-CQSZACIVSA-N 2 1 311.267 3.461 10 0 DGAEMP COC[C@H](C)C[N@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000124332621 284257341 /nfs/dbraw/zinc/25/73/41/284257341.db2.gz BBYRNGKQBJJVRY-AOIWGVFYSA-N 2 1 304.478 3.254 10 0 DGAEMP COC[C@H](C)C[N@@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000124332621 284257344 /nfs/dbraw/zinc/25/73/44/284257344.db2.gz BBYRNGKQBJJVRY-AOIWGVFYSA-N 2 1 304.478 3.254 10 0 DGAEMP COC[C@H](C)C[NH+](C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000124332621 284257349 /nfs/dbraw/zinc/25/73/49/284257349.db2.gz BBYRNGKQBJJVRY-AOIWGVFYSA-N 2 1 304.478 3.254 10 0 DGAEMP COC[C@H](C)C[NH+](C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000124332621 284257352 /nfs/dbraw/zinc/25/73/52/284257352.db2.gz BBYRNGKQBJJVRY-AOIWGVFYSA-N 2 1 304.478 3.254 10 0 DGAEMP C[N@H+]1CCCN(CCC[NH2+][C@H]2CCCC[C@@H]2C(C)(C)C)CC1 ZINC000128477465 284376891 /nfs/dbraw/zinc/37/68/91/284376891.db2.gz NFWOVUFGMQESQH-ROUUACIJSA-N 2 1 309.542 3.209 10 0 DGAEMP CC(C)[C@@H]1CC[C@@H](C)C[C@H]1[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000128714861 284384287 /nfs/dbraw/zinc/38/42/87/284384287.db2.gz PEISWXRPFUEFHD-CEXWTWQISA-N 2 1 309.542 3.064 10 0 DGAEMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1cc(-c2ccccc2)n[nH]1 ZINC000136048119 284494117 /nfs/dbraw/zinc/49/41/17/284494117.db2.gz MUEGNPMIWKBPQB-CQSZACIVSA-N 2 1 309.417 3.008 10 0 DGAEMP CCO[C@H]1C[C@@H]([NH2+]C2CCN(c3cccc(C)[nH+]3)CC2)C1(C)C ZINC000181766179 432144402 /nfs/dbraw/zinc/14/44/02/432144402.db2.gz PIGPBTDYVJXFLL-SJORKVTESA-N 2 1 317.477 3.152 10 0 DGAEMP CC(C)[N@H+](CCC(N)=[NH2+])Cc1ccc(F)c(Br)c1 ZINC000042529813 183281094 /nfs/dbraw/zinc/28/10/94/183281094.db2.gz HSUBFECHCGAHHB-UHFFFAOYSA-N 2 1 316.218 3.125 10 0 DGAEMP CC(C)[N@@H+](CCC(N)=[NH2+])Cc1ccc(F)c(Br)c1 ZINC000042529813 183281096 /nfs/dbraw/zinc/28/10/96/183281096.db2.gz HSUBFECHCGAHHB-UHFFFAOYSA-N 2 1 316.218 3.125 10 0 DGAEMP CC(C)c1[nH+]ccn1[C@H](C[NH3+])c1ccc(Br)cc1 ZINC000042955981 183322675 /nfs/dbraw/zinc/32/26/75/183322675.db2.gz UQZROVVYDQKNHX-CYBMUJFWSA-N 2 1 308.223 3.317 10 0 DGAEMP Cc1cc(C)c(C[N@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)c(C)c1 ZINC000106124211 194186986 /nfs/dbraw/zinc/18/69/86/194186986.db2.gz GAPBOWMJJLRPSD-GOSISDBHSA-N 2 1 318.505 3.136 10 0 DGAEMP CC[NH+](CC)[C@H]1CCO[C@@]2(CC[N@@H+](Cc3ccsc3)C2)C1 ZINC000248260207 257107216 /nfs/dbraw/zinc/10/72/16/257107216.db2.gz QDHPLFQSJNMHEM-IRXDYDNUSA-N 2 1 308.491 3.213 10 0 DGAEMP CC[C@H](c1ccccc1)[NH+]1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000109752622 400355257 /nfs/dbraw/zinc/35/52/57/400355257.db2.gz QJABGMAVUPMSSP-WOJBJXKFSA-N 2 1 315.505 3.240 10 0 DGAEMP COC(=O)C(C)(C)[C@@H]([NH2+]CC[C@@H]1CCC[N@H+]1C)c1ccccc1 ZINC000611405352 400394173 /nfs/dbraw/zinc/39/41/73/400394173.db2.gz LLYWXJZPPGOPBL-IRXDYDNUSA-N 2 1 318.461 3.001 10 0 DGAEMP c1ccc(CSCC[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)cc1 ZINC000592425522 400648469 /nfs/dbraw/zinc/64/84/69/400648469.db2.gz IAWGFTNJKSWSRH-QZTJIDSGSA-N 2 1 304.503 3.384 10 0 DGAEMP COC[C@H](C)C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000249454939 401085063 /nfs/dbraw/zinc/08/50/63/401085063.db2.gz DGNQTEYNNYDZTK-RLLQIKCJSA-N 2 1 316.489 3.255 10 0 DGAEMP COC[C@H](C)C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000249454939 401085068 /nfs/dbraw/zinc/08/50/68/401085068.db2.gz DGNQTEYNNYDZTK-RLLQIKCJSA-N 2 1 316.489 3.255 10 0 DGAEMP COC[C@H](C)C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000249454939 401085073 /nfs/dbraw/zinc/08/50/73/401085073.db2.gz DGNQTEYNNYDZTK-RLLQIKCJSA-N 2 1 316.489 3.255 10 0 DGAEMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CCCC[NH+](C)C)cc1 ZINC000359532850 286328806 /nfs/dbraw/zinc/32/88/06/286328806.db2.gz WUWCKQXVLGJXTQ-HNNXBMFYSA-N 3 1 300.450 3.173 10 0 DGAEMP C[C@@H]1CSC[C@@H]1[NH2+]C[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000449156499 297188464 /nfs/dbraw/zinc/18/84/64/297188464.db2.gz DPLSBSCMWLYVSL-NYTXWWLZSA-N 2 1 310.532 3.472 10 0 DGAEMP C[C@@H]1CSC[C@@H]1[NH2+]C[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000449156499 297188467 /nfs/dbraw/zinc/18/84/67/297188467.db2.gz DPLSBSCMWLYVSL-NYTXWWLZSA-N 2 1 310.532 3.472 10 0 DGAEMP c1ccc(OCCC[N@H+]2CC[C@@H](CNc3ccccn3)C2)cc1 ZINC000171645473 432154138 /nfs/dbraw/zinc/15/41/38/432154138.db2.gz MJSNVUOQDAALNP-KRWDZBQOSA-N 2 1 311.429 3.285 10 0 DGAEMP C[C@@H]1CC[C@H](C)[NH+](CC2(C[N@H+]3C[C@@H](C)CC[C@@H]3C)COC2)C1 ZINC000182205038 432166111 /nfs/dbraw/zinc/16/61/11/432166111.db2.gz MBJOXRCLNJZDCV-MHORFTMASA-N 2 1 308.510 3.244 10 0 DGAEMP C[C@@H]1CC[C@H](C)[N@H+](CC2(C[NH+]3C[C@@H](C)CC[C@@H]3C)COC2)C1 ZINC000182205038 432166115 /nfs/dbraw/zinc/16/61/15/432166115.db2.gz MBJOXRCLNJZDCV-MHORFTMASA-N 2 1 308.510 3.244 10 0 DGAEMP C[C@@H]1CC[C@H](C)[N@@H+](CC2(C[NH+]3C[C@@H](C)CC[C@@H]3C)COC2)C1 ZINC000182205038 432166118 /nfs/dbraw/zinc/16/61/18/432166118.db2.gz MBJOXRCLNJZDCV-MHORFTMASA-N 2 1 308.510 3.244 10 0 DGAEMP C[C@@H]1CC[C@H](C)[NH+](CC2(C[N@H+]3C[C@H](C)CC[C@@H]3C)COC2)C1 ZINC000182205018 432166296 /nfs/dbraw/zinc/16/62/96/432166296.db2.gz MBJOXRCLNJZDCV-BDXSIMOUSA-N 2 1 308.510 3.244 10 0 DGAEMP Cc1nccn1C[C@@H]1CCC[N@H+]1C[C@@H](O)c1ccc(Cl)cc1 ZINC000247030909 432194611 /nfs/dbraw/zinc/19/46/11/432194611.db2.gz MIKOGFLSIMVQRI-DLBZAZTESA-N 2 1 319.836 3.043 10 0 DGAEMP Cc1ccc(N2CCC[C@H]([NH2+][C@@H]3C[C@H](C)[N@H+](C)C[C@H]3C)C2)cc1 ZINC000247250840 432215014 /nfs/dbraw/zinc/21/50/14/432215014.db2.gz YIBOJYHHHVIAAY-DOADOZAASA-N 2 1 315.505 3.282 10 0 DGAEMP Cc1cc(NC[C@@H](c2cccs2)[N@H+]2CCO[C@H](C)C2)cc[nH+]1 ZINC000302212345 230168055 /nfs/dbraw/zinc/16/80/55/230168055.db2.gz DUDRQYIICRCERY-ZBFHGGJFSA-N 2 1 317.458 3.325 10 0 DGAEMP Cc1cc(NC[C@@H](c2cccs2)[N@@H+]2CCO[C@H](C)C2)cc[nH+]1 ZINC000302212345 230168060 /nfs/dbraw/zinc/16/80/60/230168060.db2.gz DUDRQYIICRCERY-ZBFHGGJFSA-N 2 1 317.458 3.325 10 0 DGAEMP CC[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)c1ccc(Cl)cc1 ZINC000151339290 432238248 /nfs/dbraw/zinc/23/82/48/432238248.db2.gz VDGJIJDVMUQKNA-IAGOWNOFSA-N 2 1 310.869 3.228 10 0 DGAEMP C[NH2+]CCC1CC[NH+](Cc2csc(Br)c2)CC1 ZINC000070189913 431244908 /nfs/dbraw/zinc/24/49/08/431244908.db2.gz NGCHXUCVWQRASG-UHFFFAOYSA-N 2 1 317.296 3.332 10 0 DGAEMP CC[NH+]1CCN(CCCC[NH2+][C@@H]2C[C@@H](C)CC[C@@H]2C(C)C)CC1 ZINC000119657378 431714315 /nfs/dbraw/zinc/71/43/15/431714315.db2.gz FXQNXIBMJCFWSF-XUVXKRRUSA-N 2 1 323.569 3.455 10 0 DGAEMP Cc1ccc2c(CN(C)[C@H]3CC[N@@H+](C)[C@H](C)C3)cc(=O)oc2c1 ZINC000123158985 431856537 /nfs/dbraw/zinc/85/65/37/431856537.db2.gz RPEHVVBVAXEDOY-ZBFHGGJFSA-N 2 1 314.429 3.016 10 0 DGAEMP Cc1ccc2c(C[N@@H+](C)[C@H]3CCN(C)[C@H](C)C3)cc(=O)oc2c1 ZINC000123158985 431856539 /nfs/dbraw/zinc/85/65/39/431856539.db2.gz RPEHVVBVAXEDOY-ZBFHGGJFSA-N 2 1 314.429 3.016 10 0 DGAEMP Cc1ccc2c(C[N@H+](C)[C@H]3CCN(C)[C@H](C)C3)cc(=O)oc2c1 ZINC000123158985 431856541 /nfs/dbraw/zinc/85/65/41/431856541.db2.gz RPEHVVBVAXEDOY-ZBFHGGJFSA-N 2 1 314.429 3.016 10 0 DGAEMP C[N@H+](CCOc1c(Cl)cccc1Cl)C1CC[NH2+]CC1 ZINC000036300486 431837461 /nfs/dbraw/zinc/83/74/61/431837461.db2.gz YIIOQJYCRPJWOG-UHFFFAOYSA-N 2 1 303.233 3.056 10 0 DGAEMP C[N@@H+](CCOc1c(Cl)cccc1Cl)C1CC[NH2+]CC1 ZINC000036300486 431837464 /nfs/dbraw/zinc/83/74/64/431837464.db2.gz YIIOQJYCRPJWOG-UHFFFAOYSA-N 2 1 303.233 3.056 10 0 DGAEMP Cc1cccc(N2CCC([NH2+][C@H](C)c3nccs3)CC2)[nH+]1 ZINC000091726112 431904934 /nfs/dbraw/zinc/90/49/34/431904934.db2.gz RAEFTGNFEYHDCR-CYBMUJFWSA-N 2 1 302.447 3.166 10 0 DGAEMP Cc1[nH+]ccn1CCCC[N@H+](C[C@H]1CCCO1)C1CCCC1 ZINC000125531149 431929160 /nfs/dbraw/zinc/92/91/60/431929160.db2.gz PPPKSXMXRVNEGQ-GOSISDBHSA-N 2 1 305.466 3.395 10 0 DGAEMP Cc1[nH+]ccn1CCCC[N@@H+](C[C@H]1CCCO1)C1CCCC1 ZINC000125531149 431929162 /nfs/dbraw/zinc/92/91/62/431929162.db2.gz PPPKSXMXRVNEGQ-GOSISDBHSA-N 2 1 305.466 3.395 10 0 DGAEMP Cc1cccc([C@H](C)[N@@H+]2CCCC[C@@H](N3CC[NH+](C)CC3)C2)c1 ZINC000246257376 281254135 /nfs/dbraw/zinc/25/41/35/281254135.db2.gz AMASQFNSCCIHPR-AZUAARDMSA-N 2 1 315.505 3.158 10 0 DGAEMP Cc1cccc([C@H](C)[N@H+]2CCCC[C@@H](N3CC[NH+](C)CC3)C2)c1 ZINC000246257376 281254136 /nfs/dbraw/zinc/25/41/36/281254136.db2.gz AMASQFNSCCIHPR-AZUAARDMSA-N 2 1 315.505 3.158 10 0 DGAEMP Cc1cccc(NC[C@@H]2CC[N@@H+](Cc3ccc4c[nH]nc4c3)C2)n1 ZINC000128270588 431991571 /nfs/dbraw/zinc/99/15/71/431991571.db2.gz KRQZWMYXWOPMHL-INIZCTEOSA-N 2 1 321.428 3.200 10 0 DGAEMP Cc1cccc(NC[C@@H]2CC[N@H+](Cc3ccc4c[nH]nc4c3)C2)[nH+]1 ZINC000128270588 431991573 /nfs/dbraw/zinc/99/15/73/431991573.db2.gz KRQZWMYXWOPMHL-INIZCTEOSA-N 2 1 321.428 3.200 10 0 DGAEMP C[N@H+]1CCC[C@H]2C[NH+](CCCOCCc3ccccc3)CC[C@H]21 ZINC000248144515 432271657 /nfs/dbraw/zinc/27/16/57/432271657.db2.gz QAHMGDXZTVVXFE-VQTJNVASSA-N 2 1 316.489 3.052 10 0 DGAEMP C[NH+]1CCC[C@H]2C[N@H+](CCCOCCc3ccccc3)CC[C@H]21 ZINC000248144515 432271661 /nfs/dbraw/zinc/27/16/61/432271661.db2.gz QAHMGDXZTVVXFE-VQTJNVASSA-N 2 1 316.489 3.052 10 0 DGAEMP C[NH+]1CCC[C@H]2C[N@@H+](CCCOCCc3ccccc3)CC[C@H]21 ZINC000248144515 432271666 /nfs/dbraw/zinc/27/16/66/432271666.db2.gz QAHMGDXZTVVXFE-VQTJNVASSA-N 2 1 316.489 3.052 10 0 DGAEMP COc1ccc([C@@H]2C[C@@H](C)[N@@H+](CC[C@H]3CCC[NH+]3C)C2)cc1 ZINC000248038480 432264195 /nfs/dbraw/zinc/26/41/95/432264195.db2.gz LQUVQBDPORZHAH-KBAYOESNSA-N 2 1 302.462 3.357 10 0 DGAEMP COc1ccc([C@@H]2C[C@@H](C)[NH+](CC[C@H]3CCC[N@@H+]3C)C2)cc1 ZINC000248038480 432264197 /nfs/dbraw/zinc/26/41/97/432264197.db2.gz LQUVQBDPORZHAH-KBAYOESNSA-N 2 1 302.462 3.357 10 0 DGAEMP COc1ccc([C@@H]2C[C@@H](C)[NH+](CC[C@H]3CCC[N@H+]3C)C2)cc1 ZINC000248038480 432264199 /nfs/dbraw/zinc/26/41/99/432264199.db2.gz LQUVQBDPORZHAH-KBAYOESNSA-N 2 1 302.462 3.357 10 0 DGAEMP CCC[NH+]1CCC(N(C)CC[N@@H+](C)Cc2ccc(F)cc2)CC1 ZINC000173214603 432264997 /nfs/dbraw/zinc/26/49/97/432264997.db2.gz WZJRONFXFGCCRS-UHFFFAOYSA-N 2 1 321.484 3.064 10 0 DGAEMP c1csc(C[N@H+]2CCC[C@H](C[NH2+]C[C@H]3CCC=CO3)C2)c1 ZINC000248882100 432325267 /nfs/dbraw/zinc/32/52/67/432325267.db2.gz KZRKEPVJVKQAKF-HZPDHXFCSA-N 2 1 306.475 3.242 10 0 DGAEMP c1csc(C[N@@H+]2CCC[C@H](C[NH2+]C[C@H]3CCC=CO3)C2)c1 ZINC000248882100 432325270 /nfs/dbraw/zinc/32/52/70/432325270.db2.gz KZRKEPVJVKQAKF-HZPDHXFCSA-N 2 1 306.475 3.242 10 0 DGAEMP C[C@H]([NH2+]C[C@@H](O)CC1CCCC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000248963727 432330852 /nfs/dbraw/zinc/33/08/52/432330852.db2.gz BMNHCRNGTATUNU-WDYCEAGBSA-N 2 1 308.510 3.170 10 0 DGAEMP CCCC[C@@H](CC)C[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000183644324 432312271 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DGAEMP Cc1nc(C(F)(F)F)c(C[N@H+]2CCC[C@H](CC[NH3+])C2)s1 ZINC000262194696 432479071 /nfs/dbraw/zinc/47/90/71/432479071.db2.gz ZEZYEOLZXVDINF-SNVBAGLBSA-N 2 1 307.385 3.031 10 0 DGAEMP c1c2ccccc2sc1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1 ZINC000261920628 432461645 /nfs/dbraw/zinc/46/16/45/432461645.db2.gz KFTYZSFJUFXXCY-ZACQAIPSSA-N 2 1 316.470 3.148 10 0 DGAEMP C[C@]1(C[N@H+]2CCC[C@H](COc3ccccc3Cl)C2)CC[NH2+]C1 ZINC000261924615 432462586 /nfs/dbraw/zinc/46/25/86/432462586.db2.gz BZUFAFRMPPOAOV-YJBOKZPZSA-N 2 1 322.880 3.430 10 0 DGAEMP Cc1ccc(C(C)(C)C[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)cc1 ZINC000262013198 432467670 /nfs/dbraw/zinc/46/76/70/432467670.db2.gz VTBDDYUVWYEMDA-GUDVDZBRSA-N 2 1 316.489 3.019 10 0 DGAEMP CC(C)c1nc([C@H]2CCCCC[N@H+]2CC2CC[NH2+]CC2)no1 ZINC000261985064 432468559 /nfs/dbraw/zinc/46/85/59/432468559.db2.gz RTWWVNKPPSDYAI-OAHLLOKOSA-N 2 1 306.454 3.110 10 0 DGAEMP c1cc2c(nc[nH+]c2NCc2ccc(C[NH+]3CCCC3)cc2)[nH]1 ZINC000263794586 432577639 /nfs/dbraw/zinc/57/76/39/432577639.db2.gz OMWMYJMPXHNTIX-UHFFFAOYSA-N 2 1 307.401 3.166 10 0 DGAEMP Cc1cc(C)cc(OCCC[NH+](C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000177814013 432664999 /nfs/dbraw/zinc/66/49/99/432664999.db2.gz ZMKJDDGGJKOYLG-QZTJIDSGSA-N 2 1 304.478 3.487 10 0 DGAEMP Cc1cc(C)cc(OCCC[NH+](C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000177814013 432665002 /nfs/dbraw/zinc/66/50/02/432665002.db2.gz ZMKJDDGGJKOYLG-QZTJIDSGSA-N 2 1 304.478 3.487 10 0 DGAEMP Cc1cc(C)cc(OCCC[N@@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)c1 ZINC000177814013 432665003 /nfs/dbraw/zinc/66/50/03/432665003.db2.gz ZMKJDDGGJKOYLG-QZTJIDSGSA-N 2 1 304.478 3.487 10 0 DGAEMP Cc1cc(C)cc(OCCC[N@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)c1 ZINC000177814013 432665004 /nfs/dbraw/zinc/66/50/04/432665004.db2.gz ZMKJDDGGJKOYLG-QZTJIDSGSA-N 2 1 304.478 3.487 10 0 DGAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CCOc1cccc(Cl)c1 ZINC000178332433 432722550 /nfs/dbraw/zinc/72/25/50/432722550.db2.gz LILGMPWBKBHMNV-INIZCTEOSA-N 2 1 319.836 3.388 10 0 DGAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CCOc1cccc(Cl)c1 ZINC000178332433 432722556 /nfs/dbraw/zinc/72/25/56/432722556.db2.gz LILGMPWBKBHMNV-INIZCTEOSA-N 2 1 319.836 3.388 10 0 DGAEMP Cc1nccn1C[C@@H]1CCC[N@H+]1Cc1nc(C)c2ccccc2n1 ZINC000178746997 432773011 /nfs/dbraw/zinc/77/30/11/432773011.db2.gz JKMJPFYEDXKTKZ-INIZCTEOSA-N 2 1 321.428 3.108 10 0 DGAEMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(-n3ccnc3)cc2)[C@@H](C)C1 ZINC000245445331 432832204 /nfs/dbraw/zinc/83/22/04/432832204.db2.gz YUJHUFMVBWUZGB-QFBILLFUSA-N 2 1 312.461 3.034 10 0 DGAEMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(-n3ccnc3)cc2)[C@@H](C)C1 ZINC000245445331 432832207 /nfs/dbraw/zinc/83/22/07/432832207.db2.gz YUJHUFMVBWUZGB-QFBILLFUSA-N 2 1 312.461 3.034 10 0 DGAEMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(-n3ccnc3)cc2)[C@@H](C)C1 ZINC000245445331 432832208 /nfs/dbraw/zinc/83/22/08/432832208.db2.gz YUJHUFMVBWUZGB-QFBILLFUSA-N 2 1 312.461 3.034 10 0 DGAEMP Cc1[nH+]ccn1CCCC[N@H+]1C[C@@H](c2ccccc2)OC[C@@H]1C ZINC000162907068 432837553 /nfs/dbraw/zinc/83/75/53/432837553.db2.gz DRNVPDGWFIRAMF-LPHOPBHVSA-N 2 1 313.445 3.434 10 0 DGAEMP Cc1[nH+]ccn1CCCC[N@@H+]1C[C@@H](c2ccccc2)OC[C@@H]1C ZINC000162907068 432837555 /nfs/dbraw/zinc/83/75/55/432837555.db2.gz DRNVPDGWFIRAMF-LPHOPBHVSA-N 2 1 313.445 3.434 10 0 DGAEMP O[C@H](C[C@@H]1CCC[N@H+]1CCC[NH+]1CCCC1)c1ccc(F)cc1 ZINC000163388559 432851038 /nfs/dbraw/zinc/85/10/38/432851038.db2.gz DRBWETZGFKIZIF-RBUKOAKNSA-N 2 1 320.452 3.200 10 0 DGAEMP C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(CCC[NH+]2CCCC2)C1 ZINC000245626411 432851215 /nfs/dbraw/zinc/85/12/15/432851215.db2.gz PANKHSHIWKOTOF-OALUTQOASA-N 3 1 307.526 3.059 10 0 DGAEMP O[C@@H](C[C@H]1CCC[N@H+]1CCC[NH+]1CCCC1)c1ccc(F)cc1 ZINC000163388899 432851182 /nfs/dbraw/zinc/85/11/82/432851182.db2.gz DRBWETZGFKIZIF-MOPGFXCFSA-N 2 1 320.452 3.200 10 0 DGAEMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H]1CCCC[C@H]1O ZINC000453368867 433125301 /nfs/dbraw/zinc/12/53/01/433125301.db2.gz MSFVDWLQOADVFS-FRYIKTPZSA-N 2 1 316.489 3.038 10 0 DGAEMP Cc1ccncc1C[NH2+]C[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000374280078 293376954 /nfs/dbraw/zinc/37/69/54/293376954.db2.gz YJSRJQJBVSDYHK-HXUWFJFHSA-N 2 1 309.457 3.392 10 0 DGAEMP C[C@@H]1CSC[C@@H]1[NH2+]C[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000449156498 433730046 /nfs/dbraw/zinc/73/00/46/433730046.db2.gz DPLSBSCMWLYVSL-HOSILWTGSA-N 2 1 310.532 3.472 10 0 DGAEMP C[C@@H]1CSC[C@@H]1[NH2+]C[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000449156498 433730049 /nfs/dbraw/zinc/73/00/49/433730049.db2.gz DPLSBSCMWLYVSL-HOSILWTGSA-N 2 1 310.532 3.472 10 0 DGAEMP CC[C@@H](O)CCC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000499249062 294082470 /nfs/dbraw/zinc/08/24/70/294082470.db2.gz JASHGHDUERMHCZ-IYWMVGAKSA-N 2 1 316.489 3.323 10 0 DGAEMP c1ccc([C@@H]2CC[C@@H]([NH2+]CCC[NH2+]Cc3cccnc3)C2)cc1 ZINC000423188980 434270572 /nfs/dbraw/zinc/27/05/72/434270572.db2.gz OEHWEROYOHHTFG-WOJBJXKFSA-N 2 1 309.457 3.487 10 0 DGAEMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)[C@@H](C)O1 ZINC000295677314 434429785 /nfs/dbraw/zinc/42/97/85/434429785.db2.gz KPKWGNIJDKHJCH-SGFSRKTBSA-N 2 1 302.462 3.195 10 0 DGAEMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)[C@@H](C)O1 ZINC000295677314 434429794 /nfs/dbraw/zinc/42/97/94/434429794.db2.gz KPKWGNIJDKHJCH-SGFSRKTBSA-N 2 1 302.462 3.195 10 0 DGAEMP C[C@@H]([NH2+]Cc1ccccc1OCc1ccccc1)[C@@H]1CC[NH2+]C1 ZINC000400750544 434492322 /nfs/dbraw/zinc/49/23/22/434492322.db2.gz MTDVWQMUELMAAC-SJLPKXTDSA-N 2 1 310.441 3.353 10 0 DGAEMP CCCn1cc(CN[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)cn1 ZINC000405946140 434524097 /nfs/dbraw/zinc/52/40/97/434524097.db2.gz CKZHRQMIKRWNMG-IBGZPJMESA-N 2 1 312.461 3.047 10 0 DGAEMP c1ccc(OCCCC[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc1 ZINC000526123411 295059518 /nfs/dbraw/zinc/05/95/18/295059518.db2.gz DTBGPQUMMCDDRN-GOSISDBHSA-N 2 1 302.462 3.263 10 0 DGAEMP C[C@H]1O[C@@H](C)[C@H](C)[C@H]1[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000528008348 295166038 /nfs/dbraw/zinc/16/60/38/295166038.db2.gz ZXUBEPQOOKBPMV-YIOZNXECSA-N 2 1 302.462 3.053 10 0 DGAEMP c1nc(CN2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)oc1C1CC1 ZINC000371185951 434653095 /nfs/dbraw/zinc/65/30/95/434653095.db2.gz VEMVWLDOZFNIQL-HOCLYGCPSA-N 2 1 301.434 3.001 10 0 DGAEMP c1ccc(OCC2CC2)c(C[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c1 ZINC000573489474 434902232 /nfs/dbraw/zinc/90/22/32/434902232.db2.gz FKHVITBAEHHGCL-IBGZPJMESA-N 2 1 300.446 3.051 10 0 DGAEMP c1ccc(OCC2CC2)c(C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c1 ZINC000573489474 434902236 /nfs/dbraw/zinc/90/22/36/434902236.db2.gz FKHVITBAEHHGCL-IBGZPJMESA-N 2 1 300.446 3.051 10 0 DGAEMP CC(C)CC[C@H](O)C[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000482684670 435478614 /nfs/dbraw/zinc/47/86/14/435478614.db2.gz QIDHQFLPJZYLAW-MOPGFXCFSA-N 2 1 310.526 3.372 10 0 DGAEMP CC[C@H](C)[C@](C)(O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000482951801 435489052 /nfs/dbraw/zinc/48/90/52/435489052.db2.gz AYFLCWVQTTZPFJ-QGZVKYPTSA-N 2 1 318.505 3.284 10 0 DGAEMP C[C@H](CCC(C)(C)C)[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000551525680 435840701 /nfs/dbraw/zinc/84/07/01/435840701.db2.gz KWKADIQZTUHOHL-YLJYHZDGSA-N 2 1 318.505 3.428 10 0 DGAEMP C[C@H](CCC(C)(C)C)[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000551525680 435840704 /nfs/dbraw/zinc/84/07/04/435840704.db2.gz KWKADIQZTUHOHL-YLJYHZDGSA-N 2 1 318.505 3.428 10 0 DGAEMP CCCC[C@@H](COC)[NH2+]C1CCN(c2ccc(C)c[nH+]2)CC1 ZINC000163506199 521055846 /nfs/dbraw/zinc/05/58/46/521055846.db2.gz XREHJWCRGDSBGK-KRWDZBQOSA-N 2 1 305.466 3.154 10 0 DGAEMP Brc1cccc(C[N@@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)c1 ZINC000415054582 526645842 /nfs/dbraw/zinc/64/58/42/526645842.db2.gz QABOXMFKDUUDGE-GOEBONIOSA-N 2 1 323.278 3.413 10 0 DGAEMP Brc1cccc(C[N@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)c1 ZINC000415054582 526645846 /nfs/dbraw/zinc/64/58/46/526645846.db2.gz QABOXMFKDUUDGE-GOEBONIOSA-N 2 1 323.278 3.413 10 0 DGAEMP CSc1ccc(OCC[N@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)cc1 ZINC000173528918 546104369 /nfs/dbraw/zinc/10/43/69/546104369.db2.gz OWJARAVQFZIGKT-GJZGRUSLSA-N 2 1 308.491 3.202 10 0 DGAEMP CSc1ccc(OCC[N@@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)cc1 ZINC000173528918 546104371 /nfs/dbraw/zinc/10/43/71/546104371.db2.gz OWJARAVQFZIGKT-GJZGRUSLSA-N 2 1 308.491 3.202 10 0 DGAEMP CSc1ccc(OCC[NH+](C)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000173528918 546104374 /nfs/dbraw/zinc/10/43/74/546104374.db2.gz OWJARAVQFZIGKT-GJZGRUSLSA-N 2 1 308.491 3.202 10 0 DGAEMP CSc1ccc(OCC[NH+](C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000173528918 546104378 /nfs/dbraw/zinc/10/43/78/546104378.db2.gz OWJARAVQFZIGKT-GJZGRUSLSA-N 2 1 308.491 3.202 10 0 DGAEMP O[C@@H](C[NH2+][C@@H](c1ccc(Cl)cc1)C1CC1)C[NH+]1CCCCC1 ZINC000180044687 546140909 /nfs/dbraw/zinc/14/09/09/546140909.db2.gz DKHHZRMFOCPZOX-ZWKOTPCHSA-N 2 1 322.880 3.228 10 0 DGAEMP C[C@@H]([NH2+]CC1CCC(O)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000393924541 546760216 /nfs/dbraw/zinc/76/02/16/546760216.db2.gz ZFCCNWXSWUAQDL-PYXOFJJQSA-N 2 1 316.489 3.038 10 0 DGAEMP CC(C)CC[N@@H+](C)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000106127498 631208439 /nfs/dbraw/zinc/20/84/39/631208439.db2.gz OJHDJUJMNAVEBC-HXUWFJFHSA-N 2 1 318.505 3.410 10 0 DGAEMP CC1(O)CCC([NH2+]C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000703012707 660754967 /nfs/dbraw/zinc/75/49/67/660754967.db2.gz WHOJHVMJOUCXRM-HDYDNRTBSA-N 2 1 316.489 3.182 10 0 DGAEMP C[C@H]([NH2+]C1CCC(C)(O)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000703008629 660755099 /nfs/dbraw/zinc/75/50/99/660755099.db2.gz GHAZMIOWRSICRD-FVPXHTFXSA-N 2 1 316.489 3.180 10 0 DGAEMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C[NH2+]C1CCC(C)(O)CC1 ZINC000708561592 660924546 /nfs/dbraw/zinc/92/45/46/660924546.db2.gz UDADJSTUDBNEPL-OVZGMEQFSA-N 2 1 316.489 3.038 10 0 DGAEMP CC[C@@H]1C[C@H]([NH2+]C[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)CO1 ZINC000711223312 660941772 /nfs/dbraw/zinc/94/17/72/660941772.db2.gz MMGCJWGEUWINFX-OTWHNJEPSA-N 2 1 302.462 3.056 10 0 DGAEMP C[N@@H+](Cc1csc(Br)c1)C1CCC([NH3+])CC1 ZINC000055144564 655653269 /nfs/dbraw/zinc/65/32/69/655653269.db2.gz MBRUQKYZOWEKPG-UHFFFAOYSA-N 2 1 303.269 3.212 10 0 DGAEMP C[C@@H]1C[N@@H+](Cc2ccc(F)c(Br)c2)C[C@H]1CC[NH3+] ZINC000723892546 655729239 /nfs/dbraw/zinc/72/92/39/655729239.db2.gz XSBMPSVZWYGCMM-ZYHUDNBSSA-N 2 1 315.230 3.005 10 0 DGAEMP C[C@]1(C[N@H+]2CCCCC[C@@H]2C[C@@H](O)c2ccccc2)CC[NH2+]C1 ZINC000262044652 655757691 /nfs/dbraw/zinc/75/76/91/655757691.db2.gz POPAVZPMGBDKRV-AQNXPRMDSA-N 2 1 316.489 3.354 10 0 DGAEMP C[C@H]1C[C@H]([NH2+]CCc2sccc2Br)CC[N@H+]1C ZINC000713116241 661190237 /nfs/dbraw/zinc/19/02/37/661190237.db2.gz OAXJKXFRWRZNTD-WDEREUQCSA-N 2 1 317.296 3.125 10 0 DGAEMP CC(C)C[C@@H](CO)[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716620037 661224968 /nfs/dbraw/zinc/22/49/68/661224968.db2.gz KPBYOVDSWOGHPT-MUGJNUQGSA-N 2 1 316.489 3.036 10 0 DGAEMP CC(C)[C@@H](CCO)[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716621547 661225269 /nfs/dbraw/zinc/22/52/69/661225269.db2.gz RFSAKFAPZRNIRJ-LWYYNNOASA-N 2 1 316.489 3.036 10 0 DGAEMP C[C@@H]([NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2)c1cn[nH]c1 ZINC000716643458 661225994 /nfs/dbraw/zinc/22/59/94/661225994.db2.gz GCFQEPIGTLVNAT-HYEGPXJVSA-N 2 1 310.445 3.113 10 0 DGAEMP CCOCCCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716703091 661227472 /nfs/dbraw/zinc/22/74/72/661227472.db2.gz XMKIOTKYOLHAMV-ZCNNSNEGSA-N 2 1 316.489 3.446 10 0 DGAEMP COC[C@H]([NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2)C1CC1 ZINC000716681423 661227531 /nfs/dbraw/zinc/22/75/31/661227531.db2.gz WWJLWSLKQWKDTC-LEAZDLGRSA-N 2 1 314.473 3.054 10 0 DGAEMP C[C@@]1(C[NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)CCCO1 ZINC000716731344 661228295 /nfs/dbraw/zinc/22/82/95/661228295.db2.gz CVERRNVYMWJFNT-YRPNKDGESA-N 2 1 314.473 3.198 10 0 DGAEMP C[C@]1(C[N@H+]2CC[C@H](c3cccc(C(F)(F)F)c3)C2)CC[NH2+]C1 ZINC000261927915 657199814 /nfs/dbraw/zinc/19/98/14/657199814.db2.gz CJQXIKYLLDZBPO-HOCLYGCPSA-N 2 1 312.379 3.494 10 0 DGAEMP CC(C)C[N@@H+](CC1CC[NH2+]CC1)[C@H]1CCCc2cccnc21 ZINC000261941751 657225331 /nfs/dbraw/zinc/22/53/31/657225331.db2.gz MTJIYZQOTHUOQR-SFHVURJKSA-N 2 1 301.478 3.417 10 0 DGAEMP C[C@@H]([NH2+]CCc1ccns1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000719821710 662297242 /nfs/dbraw/zinc/29/72/42/662297242.db2.gz YADNWABNMIULIH-NVXWUHKLSA-N 2 1 315.486 3.186 10 0 DGAEMP C[C@H]([NH2+]CCc1ccns1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000719821713 662297305 /nfs/dbraw/zinc/29/73/05/662297305.db2.gz YADNWABNMIULIH-RDJZCZTQSA-N 2 1 315.486 3.186 10 0 DGAEMP C[NH+](C)Cc1ccc([C@@H]2CCC[N@H+]2C[C@H]2CC[C@@H]([NH3+])CC2)cc1 ZINC000248100831 662333478 /nfs/dbraw/zinc/33/34/78/662333478.db2.gz HMHFUJQLOWBUMZ-SXLOBPIMSA-N 3 1 315.505 3.403 10 0 DGAEMP c1cncc(-c2cccc(C[NH2+]C3CC[NH+](C4CC4)CC3)c2)c1 ZINC000130373534 432023007 /nfs/dbraw/zinc/02/30/07/432023007.db2.gz IEUJASWXNKLVEK-UHFFFAOYSA-N 2 1 307.441 3.465 10 0 DGAEMP CC(C)c1nccc(C[N@H+]2CCCC3(CC[NH+](C)CC3)CC2)n1 ZINC000067789347 432040320 /nfs/dbraw/zinc/04/03/20/432040320.db2.gz FSBBZIBTLNMZJM-UHFFFAOYSA-N 2 1 316.493 3.298 10 0 DGAEMP c1nc(C2CCC2)sc1C[N@@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000415060884 237046719 /nfs/dbraw/zinc/04/67/19/237046719.db2.gz ZFAKHVHPZBAPLG-GDBMZVCRSA-N 2 1 305.491 3.375 10 0 DGAEMP c1nc(C2CCC2)sc1C[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000415060884 237046728 /nfs/dbraw/zinc/04/67/28/237046728.db2.gz ZFAKHVHPZBAPLG-GDBMZVCRSA-N 2 1 305.491 3.375 10 0 DGAEMP c1ccc2c(c1)cccc2C[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000415047599 237028967 /nfs/dbraw/zinc/02/89/67/237028967.db2.gz FBFAHQHBFGCCOP-UHFFFAOYSA-N 2 1 323.484 3.146 10 0 DGAEMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2CC([NH2+]C[C@@H]2CCC=CO2)C3)cc1 ZINC000188581681 200270779 /nfs/dbraw/zinc/27/07/79/200270779.db2.gz PZFQXMRAYDEBQG-NXEWRWPSSA-N 2 1 312.457 3.464 10 0 DGAEMP C[C@H]1C[C@H]([NH+](C)CCOc2ccc(F)cc2Cl)CC[N@@H+]1C ZINC000091675615 193089284 /nfs/dbraw/zinc/08/92/84/193089284.db2.gz LELPKPBEOFWSIA-GXTWGEPZSA-N 2 1 314.832 3.272 10 0 DGAEMP C[C@H]1C[C@H]([NH+](C)CCOc2ccc(F)cc2Cl)CC[N@H+]1C ZINC000091675615 193089286 /nfs/dbraw/zinc/08/92/86/193089286.db2.gz LELPKPBEOFWSIA-GXTWGEPZSA-N 2 1 314.832 3.272 10 0 DGAEMP C[C@H]1C[C@H]([N@H+](C)CCOc2ccc(F)cc2Cl)CC[NH+]1C ZINC000091675615 193089288 /nfs/dbraw/zinc/08/92/88/193089288.db2.gz LELPKPBEOFWSIA-GXTWGEPZSA-N 2 1 314.832 3.272 10 0 DGAEMP C[C@H]1C[C@H]([N@@H+](C)CCOc2ccc(F)cc2Cl)CC[NH+]1C ZINC000091675615 193089289 /nfs/dbraw/zinc/08/92/89/193089289.db2.gz LELPKPBEOFWSIA-GXTWGEPZSA-N 2 1 314.832 3.272 10 0 DGAEMP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2cc(C)c(OC)c(C)c2)C1 ZINC000093742109 284014504 /nfs/dbraw/zinc/01/45/04/284014504.db2.gz RPXGBUBPVKYNGL-KRWDZBQOSA-N 2 1 304.478 3.476 10 0 DGAEMP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cc(C)c(OC)c(C)c2)C1 ZINC000093742109 284014505 /nfs/dbraw/zinc/01/45/05/284014505.db2.gz RPXGBUBPVKYNGL-KRWDZBQOSA-N 2 1 304.478 3.476 10 0 DGAEMP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2cc(C)c(OC)c(C)c2)C1 ZINC000093742109 284014507 /nfs/dbraw/zinc/01/45/07/284014507.db2.gz RPXGBUBPVKYNGL-KRWDZBQOSA-N 2 1 304.478 3.476 10 0 DGAEMP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cc(C)c(OC)c(C)c2)C1 ZINC000093742109 284014509 /nfs/dbraw/zinc/01/45/09/284014509.db2.gz RPXGBUBPVKYNGL-KRWDZBQOSA-N 2 1 304.478 3.476 10 0 DGAEMP CC(C)CC[N@H+]1Cc2cccc(NC(=O)[C@H]3CC[C@H]([NH3+])C3)c2C1 ZINC000262635597 203360520 /nfs/dbraw/zinc/36/05/20/203360520.db2.gz HOPMNLZQZFAGSL-HOCLYGCPSA-N 2 1 315.461 3.114 10 0 DGAEMP CCCOc1ccc(OCC[N@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)cc1 ZINC000123706068 284243997 /nfs/dbraw/zinc/24/39/97/284243997.db2.gz VQAJIJPSXINJIZ-SJORKVTESA-N 2 1 320.477 3.269 10 0 DGAEMP CCCOc1ccc(OCC[N@@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)cc1 ZINC000123706068 284244001 /nfs/dbraw/zinc/24/40/01/284244001.db2.gz VQAJIJPSXINJIZ-SJORKVTESA-N 2 1 320.477 3.269 10 0 DGAEMP CCCOc1ccc(OCC[NH+](C)[C@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000123706068 284244006 /nfs/dbraw/zinc/24/40/06/284244006.db2.gz VQAJIJPSXINJIZ-SJORKVTESA-N 2 1 320.477 3.269 10 0 DGAEMP CCCOc1ccc(OCC[NH+](C)[C@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000123706068 284244011 /nfs/dbraw/zinc/24/40/11/284244011.db2.gz VQAJIJPSXINJIZ-SJORKVTESA-N 2 1 320.477 3.269 10 0 DGAEMP CC(C)(C)c1nc(C[N@H+]2CCC[C@@H]2Cn2ccnc2)cs1 ZINC000136081341 432145951 /nfs/dbraw/zinc/14/59/51/432145951.db2.gz OHIHWANQUSNNTD-CQSZACIVSA-N 2 1 304.463 3.302 10 0 DGAEMP C[N@H+](Cc1cc(Br)cs1)CC1CCC([NH3+])CC1 ZINC000042402562 183264224 /nfs/dbraw/zinc/26/42/24/183264224.db2.gz OTDYMXWSFBAOAR-UHFFFAOYSA-N 2 1 317.296 3.460 10 0 DGAEMP CC[C@H]([NH3+])[C@H](c1cccc(Br)c1)n1cc[nH+]c1C ZINC000043022066 183329606 /nfs/dbraw/zinc/32/96/06/183329606.db2.gz KDQJLYSNYXAIEW-KBPBESRZSA-N 2 1 308.223 3.281 10 0 DGAEMP Cn1cc[nH+]c1CC1CC[NH+](Cc2cccc3cccnc32)CC1 ZINC000105876140 194153190 /nfs/dbraw/zinc/15/31/90/194153190.db2.gz DCRYVYHMQIVZOC-UHFFFAOYSA-N 2 1 320.440 3.423 10 0 DGAEMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(CCC[NH+]2CCCC2)C1 ZINC000161872967 296313152 /nfs/dbraw/zinc/31/31/52/296313152.db2.gz PANKHSHIWKOTOF-RTBURBONSA-N 2 1 307.526 3.059 10 0 DGAEMP [NH2+]=C(NCc1ccc(Cl)cc1)SCCCc1[nH]cc[nH+]1 ZINC000025757585 400243389 /nfs/dbraw/zinc/24/33/89/400243389.db2.gz MEOJUCPAMSMKFT-UHFFFAOYSA-N 2 1 308.838 3.453 10 0 DGAEMP c1cc(C[NH2+]Cc2ccccc2C[NH+]2CCCCC2)sn1 ZINC000623597188 401552886 /nfs/dbraw/zinc/55/28/86/401552886.db2.gz AJQBJMMXRJRPIG-UHFFFAOYSA-N 2 1 301.459 3.419 10 0 DGAEMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCOC1CCCC1 ZINC000364459001 287029419 /nfs/dbraw/zinc/02/94/19/287029419.db2.gz PEAXHQYIIVLNIE-XLIONFOSSA-N 2 1 316.489 3.446 10 0 DGAEMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCOC1CCCC1 ZINC000364459001 287029421 /nfs/dbraw/zinc/02/94/21/287029421.db2.gz PEAXHQYIIVLNIE-XLIONFOSSA-N 2 1 316.489 3.446 10 0 DGAEMP CCO[C@@H]1C[C@H]([NH2+]C2CCN(c3ccc(C)c[nH+]3)CC2)C1(C)C ZINC000181804730 164920424 /nfs/dbraw/zinc/92/04/24/164920424.db2.gz LUBPCUYHLAPMTD-DLBZAZTESA-N 2 1 317.477 3.152 10 0 DGAEMP COc1ccc2nc(CN(C)[C@@H]3CC[N@@H+](C)[C@H](C)C3)sc2c1 ZINC000187120315 165076628 /nfs/dbraw/zinc/07/66/28/165076628.db2.gz DVURMJSWPRMEQD-CHWSQXEVSA-N 2 1 319.474 3.219 10 0 DGAEMP Cc1cc(Cl)ccc1NC(=O)CN(C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000246742183 432160802 /nfs/dbraw/zinc/16/08/02/432160802.db2.gz MUCZTWCOLSDKMR-DZGCQCFKSA-N 2 1 323.868 3.001 10 0 DGAEMP CC(C)(O)CC[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000269053960 432153857 /nfs/dbraw/zinc/15/38/57/432153857.db2.gz RSPXUZBDKYHWAM-RBUKOAKNSA-N 2 1 316.489 3.134 10 0 DGAEMP CC(C)(O)CC[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000269053960 432153860 /nfs/dbraw/zinc/15/38/60/432153860.db2.gz RSPXUZBDKYHWAM-RBUKOAKNSA-N 2 1 316.489 3.134 10 0 DGAEMP CC(C)(O)CC[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000269053960 432153861 /nfs/dbraw/zinc/15/38/61/432153861.db2.gz RSPXUZBDKYHWAM-RBUKOAKNSA-N 2 1 316.489 3.134 10 0 DGAEMP Cc1cccc(C)c1OCCC[N@H+](C)[C@H]1CCN(C)[C@@H](C)C1 ZINC000246689666 432155084 /nfs/dbraw/zinc/15/50/84/432155084.db2.gz KDWXSDRXSZMKTI-ROUUACIJSA-N 2 1 304.478 3.487 10 0 DGAEMP Cc1cccc(C)c1OCCC[NH+](C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000246689666 432155089 /nfs/dbraw/zinc/15/50/89/432155089.db2.gz KDWXSDRXSZMKTI-ROUUACIJSA-N 2 1 304.478 3.487 10 0 DGAEMP Cc1cccc(C)c1OCCC[NH+](C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000246689666 432155095 /nfs/dbraw/zinc/15/50/95/432155095.db2.gz KDWXSDRXSZMKTI-ROUUACIJSA-N 2 1 304.478 3.487 10 0 DGAEMP Cc1cccc(C)c1OCCC[N@@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000246689666 432155099 /nfs/dbraw/zinc/15/50/99/432155099.db2.gz KDWXSDRXSZMKTI-ROUUACIJSA-N 2 1 304.478 3.487 10 0 DGAEMP Cc1cccc(C)c1OCCC[N@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000246689666 432155102 /nfs/dbraw/zinc/15/51/02/432155102.db2.gz KDWXSDRXSZMKTI-ROUUACIJSA-N 2 1 304.478 3.487 10 0 DGAEMP Cc1ncc(CN2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)n1-c1ccccc1 ZINC000246855398 432174728 /nfs/dbraw/zinc/17/47/28/432174728.db2.gz SGHXKXLJJQWFIN-FXAWDEMLSA-N 2 1 324.472 3.097 10 0 DGAEMP CCN1CCC[C@@H]([NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)C1 ZINC000247088399 432202404 /nfs/dbraw/zinc/20/24/04/432202404.db2.gz PGKIJZMNCQRUSB-CRAIPNDOSA-N 2 1 312.461 3.316 10 0 DGAEMP COc1cccc(C[N@H+]2CC[C@@H](CNc3cccc(C)n3)C2)c1 ZINC000151111583 432219208 /nfs/dbraw/zinc/21/92/08/432219208.db2.gz BGMWSGHYBYBTAB-KRWDZBQOSA-N 2 1 311.429 3.333 10 0 DGAEMP COc1cccc(C[N@H+]2CC[C@@H](CNc3cccc(C)[nH+]3)C2)c1 ZINC000151111583 432219219 /nfs/dbraw/zinc/21/92/19/432219219.db2.gz BGMWSGHYBYBTAB-KRWDZBQOSA-N 2 1 311.429 3.333 10 0 DGAEMP CC[N@H+]1CC[C@H]([NH+](C)CCCCCn2cc(C)cn2)[C@@H](C)C1 ZINC000247334720 432223396 /nfs/dbraw/zinc/22/33/96/432223396.db2.gz ZCBYTDIZKWXALV-ROUUACIJSA-N 2 1 306.498 3.024 10 0 DGAEMP CC[NH+]1CC[C@H]([N@H+](C)CCCCCn2cc(C)cn2)[C@@H](C)C1 ZINC000247334720 432223400 /nfs/dbraw/zinc/22/34/00/432223400.db2.gz ZCBYTDIZKWXALV-ROUUACIJSA-N 2 1 306.498 3.024 10 0 DGAEMP CC[NH+]1CC[C@H]([N@@H+](C)CCCCCn2cc(C)cn2)[C@@H](C)C1 ZINC000247334720 432223403 /nfs/dbraw/zinc/22/34/03/432223403.db2.gz ZCBYTDIZKWXALV-ROUUACIJSA-N 2 1 306.498 3.024 10 0 DGAEMP COC(C)(C)CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000346613310 264065136 /nfs/dbraw/zinc/06/51/36/264065136.db2.gz MFDODRNYTIMEOU-FUHWJXTLSA-N 2 1 304.478 3.302 10 0 DGAEMP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC[C@H]1c1ccc2c(c1)OCO2 ZINC000247966547 432257300 /nfs/dbraw/zinc/25/73/00/432257300.db2.gz DTZOSDSFEDEBGP-CVEARBPZSA-N 2 1 302.418 3.037 10 0 DGAEMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC[C@H]1c1ccc2c(c1)OCO2 ZINC000247966547 432257304 /nfs/dbraw/zinc/25/73/04/432257304.db2.gz DTZOSDSFEDEBGP-CVEARBPZSA-N 2 1 302.418 3.037 10 0 DGAEMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCO2 ZINC000247966547 432257307 /nfs/dbraw/zinc/25/73/07/432257307.db2.gz DTZOSDSFEDEBGP-CVEARBPZSA-N 2 1 302.418 3.037 10 0 DGAEMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCC[C@H]1c1ccc2c(c1)OCO2 ZINC000247966547 432257308 /nfs/dbraw/zinc/25/73/08/432257308.db2.gz DTZOSDSFEDEBGP-CVEARBPZSA-N 2 1 302.418 3.037 10 0 DGAEMP C[C@H](CCCC[NH3+])[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000309731671 279255179 /nfs/dbraw/zinc/25/51/79/279255179.db2.gz SEGFFNVWANYCDZ-BTHPGYMESA-N 3 1 315.505 3.004 10 0 DGAEMP CCn1cc(C[N@H+]2CC[C@@H](C3CC[NH+](CC(C)C)CC3)C2)cn1 ZINC000014953067 431597843 /nfs/dbraw/zinc/59/78/43/431597843.db2.gz QSALWARIKSSENW-LJQANCHMSA-N 2 1 318.509 3.093 10 0 DGAEMP CC[N@H+]1CC[C@H]([NH+](C)CCCCCn2cc(C)cn2)[C@H](C)C1 ZINC000079461561 431724666 /nfs/dbraw/zinc/72/46/66/431724666.db2.gz ZCBYTDIZKWXALV-MSOLQXFVSA-N 2 1 306.498 3.024 10 0 DGAEMP CC[NH+]1CC[C@H]([N@H+](C)CCCCCn2cc(C)cn2)[C@H](C)C1 ZINC000079461561 431724670 /nfs/dbraw/zinc/72/46/70/431724670.db2.gz ZCBYTDIZKWXALV-MSOLQXFVSA-N 2 1 306.498 3.024 10 0 DGAEMP CC[NH+]1CC[C@H]([N@@H+](C)CCCCCn2cc(C)cn2)[C@H](C)C1 ZINC000079461561 431724678 /nfs/dbraw/zinc/72/46/78/431724678.db2.gz ZCBYTDIZKWXALV-MSOLQXFVSA-N 2 1 306.498 3.024 10 0 DGAEMP Clc1ccccc1OCC[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000037917782 431851462 /nfs/dbraw/zinc/85/14/62/431851462.db2.gz GSKSYABLVQQYGR-HOCLYGCPSA-N 2 1 308.853 3.183 10 0 DGAEMP Clc1ccccc1OCC[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000037917782 431851464 /nfs/dbraw/zinc/85/14/64/431851464.db2.gz GSKSYABLVQQYGR-HOCLYGCPSA-N 2 1 308.853 3.183 10 0 DGAEMP Cc1ccc(-c2[nH+]c3ccc(C)c(C)n3c2N2CC[NH2+]CC2)cc1 ZINC000095935989 431927640 /nfs/dbraw/zinc/92/76/40/431927640.db2.gz RNXUAUPUCMWTAK-UHFFFAOYSA-N 2 1 320.440 3.336 10 0 DGAEMP CCCC[C@@H](COC)[NH2+]C1CCN(c2cccc(C)[nH+]2)CC1 ZINC000128180089 431989107 /nfs/dbraw/zinc/98/91/07/431989107.db2.gz RWVHHBOZIVPUFZ-KRWDZBQOSA-N 2 1 305.466 3.154 10 0 DGAEMP CCCC[C@H](COC)[NH2+]C1CCN(c2cccc(C)[nH+]2)CC1 ZINC000128180307 431989112 /nfs/dbraw/zinc/98/91/12/431989112.db2.gz RWVHHBOZIVPUFZ-QGZVFWFLSA-N 2 1 305.466 3.154 10 0 DGAEMP CCCn1cc[nH+]c1CCC[N@H+](C)C[C@](C)(O)c1ccccc1 ZINC000191479671 432269779 /nfs/dbraw/zinc/26/97/79/432269779.db2.gz QKRHGIUCOSYLGB-IBGZPJMESA-N 2 1 315.461 3.065 10 0 DGAEMP CCCn1cc[nH+]c1CCC[N@@H+](C)C[C@](C)(O)c1ccccc1 ZINC000191479671 432269781 /nfs/dbraw/zinc/26/97/81/432269781.db2.gz QKRHGIUCOSYLGB-IBGZPJMESA-N 2 1 315.461 3.065 10 0 DGAEMP Cc1cccc(NC[C@H]2CC[N@H+](Cc3ccccc3N(C)C)C2)n1 ZINC000173780331 432300026 /nfs/dbraw/zinc/30/00/26/432300026.db2.gz UNDHTPWJIJNMHM-QGZVFWFLSA-N 2 1 324.472 3.390 10 0 DGAEMP Cc1cccc(NC[C@H]2CC[N@@H+](Cc3ccccc3N(C)C)C2)[nH+]1 ZINC000173780331 432300028 /nfs/dbraw/zinc/30/00/28/432300028.db2.gz UNDHTPWJIJNMHM-QGZVFWFLSA-N 2 1 324.472 3.390 10 0 DGAEMP Cc1cccc(NC[C@H]2CC[N@H+](Cc3ccccc3N(C)C)C2)[nH+]1 ZINC000173780331 432300031 /nfs/dbraw/zinc/30/00/31/432300031.db2.gz UNDHTPWJIJNMHM-QGZVFWFLSA-N 2 1 324.472 3.390 10 0 DGAEMP c1cc(C[N@H+](CC2CCOCC2)[C@H]2CC23CC[NH2+]CC3)cs1 ZINC000261613092 432434610 /nfs/dbraw/zinc/43/46/10/432434610.db2.gz GDCULLLJSGEPNV-KRWDZBQOSA-N 2 1 320.502 3.119 10 0 DGAEMP c1cc(C[N@H+](C[C@H]2CCSC2)[C@H]2CC23CC[NH2+]CC3)cs1 ZINC000261654329 432438521 /nfs/dbraw/zinc/43/85/21/432438521.db2.gz BHBCJPWNGVLGDT-CVEARBPZSA-N 2 1 322.543 3.445 10 0 DGAEMP CC(C)c1csc([C@H]2CCC[N@@H+](C[C@]3(C)CC[NH2+]C3)C2)n1 ZINC000261729415 432445208 /nfs/dbraw/zinc/44/52/08/432445208.db2.gz HCEMSZJXFBXHIZ-WMLDXEAASA-N 2 1 307.507 3.446 10 0 DGAEMP CC[N@H+]1CC[C@H](N(C)Cc2cn3cc(Cl)ccc3n2)[C@H](C)C1 ZINC000175717129 432458444 /nfs/dbraw/zinc/45/84/44/432458444.db2.gz NWSJHQPZHGEWLB-CJNGLKHVSA-N 2 1 320.868 3.150 10 0 DGAEMP CC(C)(C[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1)Cc1ccccc1 ZINC000261933476 432461365 /nfs/dbraw/zinc/46/13/65/432461365.db2.gz LYQDDXIDYUKNFN-QRVBRYPASA-N 2 1 316.489 3.002 10 0 DGAEMP c1ccc2c(c1)cccc2CC[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1 ZINC000261979881 432466159 /nfs/dbraw/zinc/46/61/59/432466159.db2.gz RLLZHKBMHPCWQJ-PWRODBHTSA-N 2 1 324.468 3.129 10 0 DGAEMP CCOc1ccc(C[NH+]2CCC(Cc3[nH+]ccn3C)CC2)cc1 ZINC000155174963 432541336 /nfs/dbraw/zinc/54/13/36/432541336.db2.gz WKRRSPCVBRNLNG-UHFFFAOYSA-N 2 1 313.445 3.274 10 0 DGAEMP Cc1ccc2c(CC[NH2+]Cc3c[nH+]ccc3N(C)C)cn(C)c2c1 ZINC000186542955 432605279 /nfs/dbraw/zinc/60/52/79/432605279.db2.gz XGCJIECPBBWFGY-UHFFFAOYSA-N 2 1 322.456 3.280 10 0 DGAEMP Cc1cc2c(cc1C)[C@@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)CCCO2 ZINC000158184894 432639832 /nfs/dbraw/zinc/63/98/32/432639832.db2.gz CGRWMFQMKLJAEB-AEFFLSMTSA-N 2 1 302.462 3.449 10 0 DGAEMP Cc1nn(C(C)(C)C)cc1[C@@H](C)[NH2+]CCC[NH+]1CCCCC1 ZINC000178409376 432731896 /nfs/dbraw/zinc/73/18/96/432731896.db2.gz MPDNKDSLJMKKGP-OAHLLOKOSA-N 2 1 306.498 3.473 10 0 DGAEMP C[C@H]1C[C@H](CC[N@@H+](C)CCCN2CC[NH+](C)CC2)C[C@@H](C)C1 ZINC000245530162 432840819 /nfs/dbraw/zinc/84/08/19/432840819.db2.gz RZRUFDPUADKTQK-BWTSREIZSA-N 2 1 309.542 3.018 10 0 DGAEMP Cc1nccn1CCCC[N@H+]1CCC[C@@H](c2nccs2)C1 ZINC000163018302 432841419 /nfs/dbraw/zinc/84/14/19/432841419.db2.gz VYZYLLLXPJZBTE-OAHLLOKOSA-N 2 1 304.463 3.308 10 0 DGAEMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@@H](c2nccs2)C1 ZINC000163018302 432841423 /nfs/dbraw/zinc/84/14/23/432841423.db2.gz VYZYLLLXPJZBTE-OAHLLOKOSA-N 2 1 304.463 3.308 10 0 DGAEMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@@H](c2nccs2)C1 ZINC000163018302 432841427 /nfs/dbraw/zinc/84/14/27/432841427.db2.gz VYZYLLLXPJZBTE-OAHLLOKOSA-N 2 1 304.463 3.308 10 0 DGAEMP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC[C@H]1CC(=O)c1ccc(F)cc1 ZINC000245706942 432857710 /nfs/dbraw/zinc/85/77/10/432857710.db2.gz SEJDRVBSSNKDBF-MSOLQXFVSA-N 2 1 318.436 3.347 10 0 DGAEMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC[C@H]1CC(=O)c1ccc(F)cc1 ZINC000245706942 432857712 /nfs/dbraw/zinc/85/77/12/432857712.db2.gz SEJDRVBSSNKDBF-MSOLQXFVSA-N 2 1 318.436 3.347 10 0 DGAEMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCC[C@H]1CC(=O)c1ccc(F)cc1 ZINC000245706942 432857714 /nfs/dbraw/zinc/85/77/14/432857714.db2.gz SEJDRVBSSNKDBF-MSOLQXFVSA-N 2 1 318.436 3.347 10 0 DGAEMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCC[C@H]1CC(=O)c1ccc(F)cc1 ZINC000245706942 432857715 /nfs/dbraw/zinc/85/77/15/432857715.db2.gz SEJDRVBSSNKDBF-MSOLQXFVSA-N 2 1 318.436 3.347 10 0 DGAEMP C[C@@H]1CC[C@@H](C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)O1 ZINC000453410401 433160682 /nfs/dbraw/zinc/16/06/82/433160682.db2.gz PJHHWVHGDFEGAB-XLSIIYIISA-N 2 1 314.473 3.339 10 0 DGAEMP c1ccc(CCOCCC[N@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)cc1 ZINC000420381907 433193049 /nfs/dbraw/zinc/19/30/49/433193049.db2.gz CWZMYTYDTDBPQF-VQTJNVASSA-N 2 1 316.489 3.100 10 0 DGAEMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+]CC[C@@H]2CCOC2)C3)cc1 ZINC000447598033 433240610 /nfs/dbraw/zinc/24/06/10/433240610.db2.gz HEINTTJXPPAAFD-YSTOQKLRSA-N 2 1 314.473 3.198 10 0 DGAEMP C/C=C\C[C@H](CO)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000447597165 433240835 /nfs/dbraw/zinc/24/08/35/433240835.db2.gz FOMQSTNUXNVGCM-SYCBWMALSA-N 2 1 314.473 3.099 10 0 DGAEMP C[C@H]1C[NH2+]CC[C@H]1[NH2+]Cc1cc(Br)ccc1Cl ZINC000414937910 433926743 /nfs/dbraw/zinc/92/67/43/433926743.db2.gz CVHUPAXRIHVFQJ-TVQRCGJNSA-N 2 1 317.658 3.190 10 0 DGAEMP c1ccc([C@@H]2CCC[C@@H]2[NH2+]CCC[NH2+]Cc2cccnc2)cc1 ZINC000414876298 433894891 /nfs/dbraw/zinc/89/48/91/433894891.db2.gz KMIPONCHDNXSAV-PMACEKPBSA-N 2 1 309.457 3.487 10 0 DGAEMP C[C@@H]1C[N@H+](CCCC[NH2+][C@@H]2CCCC[C@H]2C2CC2)C[C@H](C)O1 ZINC000507464643 294299529 /nfs/dbraw/zinc/29/95/29/294299529.db2.gz XZOJPDTWUFZTGD-OGWHTMIXSA-N 2 1 308.510 3.434 10 0 DGAEMP c1cc2c(s1)CCC[C@@H]2[NH2+]CCC[NH2+]Cc1cccnc1 ZINC000423194518 434276204 /nfs/dbraw/zinc/27/62/04/434276204.db2.gz YYMQHMNEZBXBKU-INIZCTEOSA-N 2 1 301.459 3.290 10 0 DGAEMP CCC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(C[NH+](C)C)c(Cl)c1 ZINC000357931008 434252776 /nfs/dbraw/zinc/25/27/76/434252776.db2.gz OVOUAWUTDOEBFD-INIZCTEOSA-N 2 1 323.868 3.215 10 0 DGAEMP CCC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(C[NH+](C)C)c(Cl)c1 ZINC000357931008 434252781 /nfs/dbraw/zinc/25/27/81/434252781.db2.gz OVOUAWUTDOEBFD-INIZCTEOSA-N 2 1 323.868 3.215 10 0 DGAEMP COC[C@H]([NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12)C(C)C ZINC000381766183 434276308 /nfs/dbraw/zinc/27/63/08/434276308.db2.gz NVIYPYAGKDHRCS-WCIQWLHISA-N 2 1 316.489 3.158 10 0 DGAEMP COC[C@H]([NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12)C(C)C ZINC000381766184 434273951 /nfs/dbraw/zinc/27/39/51/434273951.db2.gz NVIYPYAGKDHRCS-WTGUMLROSA-N 2 1 316.489 3.158 10 0 DGAEMP c1cncc(C[NH2+]CCC[NH2+][C@@H]2CCC[C@H](c3cccnc3)C2)c1 ZINC000423190643 434275014 /nfs/dbraw/zinc/27/50/14/434275014.db2.gz RGOAEKHGMBJXAY-AZUAARDMSA-N 2 1 324.472 3.272 10 0 DGAEMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)[C@@H](C)O1 ZINC000384934315 434296120 /nfs/dbraw/zinc/29/61/20/434296120.db2.gz QICCZKJMAQRDNP-GFBDQPOWSA-N 2 1 314.473 3.053 10 0 DGAEMP Cc1cnccc1C[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000385076064 434297526 /nfs/dbraw/zinc/29/75/26/434297526.db2.gz XPNYQRNWHDYALH-PCCBWWKXSA-N 2 1 321.468 3.390 10 0 DGAEMP Cc1cnccc1C[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000385076066 434297958 /nfs/dbraw/zinc/29/79/58/434297958.db2.gz XPNYQRNWHDYALH-QHAWAJNXSA-N 2 1 321.468 3.390 10 0 DGAEMP Nc1ccc(N[C@H]2CCC[N@H+](Cc3cccs3)CC2)c[nH+]1 ZINC000328655248 434298347 /nfs/dbraw/zinc/29/83/47/434298347.db2.gz YFOBKPYWIWZTNO-ZDUSSCGKSA-N 2 1 302.447 3.192 10 0 DGAEMP Nc1ccc(N[C@H]2CCC[N@@H+](Cc3cccs3)CC2)c[nH+]1 ZINC000328655248 434298357 /nfs/dbraw/zinc/29/83/57/434298357.db2.gz YFOBKPYWIWZTNO-ZDUSSCGKSA-N 2 1 302.447 3.192 10 0 DGAEMP C[C@@H]1C[N@@H+]([C@@H]2CCc3ccc(Br)cc32)C[C@@]1(C)C[NH3+] ZINC000388269693 434331529 /nfs/dbraw/zinc/33/15/29/434331529.db2.gz MXKHGNKWEDGHIJ-HFBAOOFYSA-N 2 1 323.278 3.353 10 0 DGAEMP C[C@@H]1C[N@H+]([C@@H]2CCc3ccc(Br)cc32)C[C@@]1(C)C[NH3+] ZINC000388269693 434331534 /nfs/dbraw/zinc/33/15/34/434331534.db2.gz MXKHGNKWEDGHIJ-HFBAOOFYSA-N 2 1 323.278 3.353 10 0 DGAEMP C[C@H](Cc1ccc(Br)cc1)[NH2+][C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000399027134 434470317 /nfs/dbraw/zinc/47/03/17/434470317.db2.gz HRERVSMXZLDKEA-LALPHHSUSA-N 2 1 311.267 3.110 10 0 DGAEMP C[C@H]([NH2+]Cc1ccccc1OCc1ccccc1)[C@@H]1CC[NH2+]C1 ZINC000400750542 434489509 /nfs/dbraw/zinc/48/95/09/434489509.db2.gz MTDVWQMUELMAAC-FUHWJXTLSA-N 2 1 310.441 3.353 10 0 DGAEMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)CS1 ZINC000398092749 434455577 /nfs/dbraw/zinc/45/55/77/434455577.db2.gz JTNJTNGLYSHEFD-CIRFHOKZSA-N 2 1 304.503 3.381 10 0 DGAEMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)CS1 ZINC000398092749 434455584 /nfs/dbraw/zinc/45/55/84/434455584.db2.gz JTNJTNGLYSHEFD-CIRFHOKZSA-N 2 1 304.503 3.381 10 0 DGAEMP CC[C@](C)(O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000453104567 434803390 /nfs/dbraw/zinc/80/33/90/434803390.db2.gz UYENGPGARKSVNI-YRPNKDGESA-N 2 1 316.489 3.180 10 0 DGAEMP CCn1cc(CC[N@@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)cn1 ZINC000372689184 434847191 /nfs/dbraw/zinc/84/71/91/434847191.db2.gz CJHAWBANIITNDB-LJQANCHMSA-N 2 1 318.509 3.034 10 0 DGAEMP CCn1cc(CC[N@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)cn1 ZINC000372689184 434847192 /nfs/dbraw/zinc/84/71/92/434847192.db2.gz CJHAWBANIITNDB-LJQANCHMSA-N 2 1 318.509 3.034 10 0 DGAEMP CCn1cc(CC[N@@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)cn1 ZINC000372689183 434847741 /nfs/dbraw/zinc/84/77/41/434847741.db2.gz CJHAWBANIITNDB-IBGZPJMESA-N 2 1 318.509 3.034 10 0 DGAEMP CCn1cc(CC[N@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)cn1 ZINC000372689183 434847742 /nfs/dbraw/zinc/84/77/42/434847742.db2.gz CJHAWBANIITNDB-IBGZPJMESA-N 2 1 318.509 3.034 10 0 DGAEMP C[C@H](NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC000573234874 434883311 /nfs/dbraw/zinc/88/33/11/434883311.db2.gz LAUFLYHPFDBGMG-SXLOBPIMSA-N 2 1 315.505 3.019 10 0 DGAEMP C[C@H](NC[C@@H]1CCCC[N@H+]1Cc1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC000573234874 434883315 /nfs/dbraw/zinc/88/33/15/434883315.db2.gz LAUFLYHPFDBGMG-SXLOBPIMSA-N 2 1 315.505 3.019 10 0 DGAEMP c1ccc2c(c1)cccc2OCC[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000579712592 435177361 /nfs/dbraw/zinc/17/73/61/435177361.db2.gz SHBZHXZTWIBIBH-FQEVSTJZSA-N 2 1 310.441 3.294 10 0 DGAEMP c1ccc(C[N@@H+]2CC[C@@H]([NH2+][C@H]3CCSC3)CC23CC3)cc1 ZINC000566215453 315322791 /nfs/dbraw/zinc/32/27/91/315322791.db2.gz DUJVGPIYSXURCN-SJORKVTESA-N 2 1 302.487 3.279 10 0 DGAEMP c1ccc(C[N@H+]2CC[C@@H]([NH2+][C@H]3CCSC3)CC23CC3)cc1 ZINC000566215453 315322793 /nfs/dbraw/zinc/32/27/93/315322793.db2.gz DUJVGPIYSXURCN-SJORKVTESA-N 2 1 302.487 3.279 10 0 DGAEMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccccc1CO ZINC000574857415 316007493 /nfs/dbraw/zinc/00/74/93/316007493.db2.gz KHCHHDGCEAVKSA-UTKZUKDTSA-N 2 1 324.468 3.179 10 0 DGAEMP c1ccc(C[N@H+]2CC[C@@H]([NH2+]CC3CCOCC3)CC23CC3)cc1 ZINC000580647219 324021983 /nfs/dbraw/zinc/02/19/83/324021983.db2.gz UPPGVRIQWIIGKL-LJQANCHMSA-N 2 1 314.473 3.200 10 0 DGAEMP c1ccc(C[N@@H+]2CC[C@@H]([NH2+]CC3CCOCC3)CC23CC3)cc1 ZINC000580647219 324021984 /nfs/dbraw/zinc/02/19/84/324021984.db2.gz UPPGVRIQWIIGKL-LJQANCHMSA-N 2 1 314.473 3.200 10 0 DGAEMP O[C@H](C[NH2+][C@@H](c1ccc(Cl)cc1)C1CC1)C[NH+]1CCCCC1 ZINC000180044714 546140961 /nfs/dbraw/zinc/14/09/61/546140961.db2.gz DKHHZRMFOCPZOX-QZTJIDSGSA-N 2 1 322.880 3.228 10 0 DGAEMP Cn1cccc1C[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000272618541 546357523 /nfs/dbraw/zinc/35/75/23/546357523.db2.gz XQIBWNOYTLKVRN-MISYRCLQSA-N 2 1 309.457 3.025 10 0 DGAEMP c1cncc(-c2ccc(C[NH2+][C@H]3CC[N@H+]4CCC[C@H]4C3)cc2)c1 ZINC000339067820 546531642 /nfs/dbraw/zinc/53/16/42/546531642.db2.gz JDNJFJMFESFJDO-PMACEKPBSA-N 2 1 307.441 3.465 10 0 DGAEMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC1CCC(O)CC1 ZINC000398143376 546763011 /nfs/dbraw/zinc/76/30/11/546763011.db2.gz NARJHCAHUWTHEJ-CLPROHDKSA-N 2 1 316.489 3.038 10 0 DGAEMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2ccc3c(c2)CCC(C)(C)O3)C1 ZINC000731677417 574556415 /nfs/dbraw/zinc/55/64/15/574556415.db2.gz PKDCJHRYMUETLZ-INIZCTEOSA-N 2 1 302.462 3.222 10 0 DGAEMP C[C@H]1SCC[C@H]1[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000398155232 575960503 /nfs/dbraw/zinc/96/05/03/575960503.db2.gz ZQPOPKGGIQHJCC-XYVMCAHJSA-N 2 1 304.503 3.381 10 0 DGAEMP C[C@H]1SCC[C@H]1[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000398155232 575960518 /nfs/dbraw/zinc/96/05/18/575960518.db2.gz ZQPOPKGGIQHJCC-XYVMCAHJSA-N 2 1 304.503 3.381 10 0 DGAEMP CCCCOC(=O)CC[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000728685643 576194499 /nfs/dbraw/zinc/19/44/99/576194499.db2.gz BVWJSWMGMILABQ-GOSISDBHSA-N 2 1 324.509 3.308 10 0 DGAEMP CCCCOC(=O)CC[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000728685643 576194500 /nfs/dbraw/zinc/19/45/00/576194500.db2.gz BVWJSWMGMILABQ-GOSISDBHSA-N 2 1 324.509 3.308 10 0 DGAEMP C[N@H+](Cc1cc(Br)cs1)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000085015340 660371085 /nfs/dbraw/zinc/37/10/85/660371085.db2.gz ORBPXYMRQGLIKK-KOLCDFICSA-N 2 1 303.269 3.070 10 0 DGAEMP C[N@@H+](CCCCCC[NH3+])Cc1ccc(Br)s1 ZINC000710706319 660932819 /nfs/dbraw/zinc/93/28/19/660932819.db2.gz UMJSWIKHFSXQJJ-UHFFFAOYSA-N 2 1 305.285 3.462 10 0 DGAEMP CC[C@@H]1C[C@@H]([NH2+]C[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)CO1 ZINC000711223310 660941951 /nfs/dbraw/zinc/94/19/51/660941951.db2.gz MMGCJWGEUWINFX-GUDVDZBRSA-N 2 1 302.462 3.056 10 0 DGAEMP C[C@H](c1cccc(Br)c1)[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723905136 655729412 /nfs/dbraw/zinc/72/94/12/655729412.db2.gz FECJRWUANMCMQK-YRGRVCCFSA-N 2 1 311.267 3.427 10 0 DGAEMP c1cc(C[N@H+](CC[C@@H]2CCOC2)[C@H]2CC23CC[NH2+]CC3)cs1 ZINC000261999331 655746061 /nfs/dbraw/zinc/74/60/61/655746061.db2.gz TXNHYCNVRQRIIY-WBVHZDCISA-N 2 1 320.502 3.119 10 0 DGAEMP CS[C@@H](C)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716625106 661225145 /nfs/dbraw/zinc/22/51/45/661225145.db2.gz LQKXOSOUPHKSBY-OWLYRPNTSA-N 2 1 304.503 3.381 10 0 DGAEMP COCC(C)(C)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716620182 661225181 /nfs/dbraw/zinc/22/51/81/661225181.db2.gz LOHRISSLAYNKFG-FHWLQOOXSA-N 2 1 316.489 3.302 10 0 DGAEMP CO[C@H](C)CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716670705 661225985 /nfs/dbraw/zinc/22/59/85/661225985.db2.gz DBEBDSKXDALESC-BVBHFADKSA-N 2 1 302.462 3.054 10 0 DGAEMP CO[C@H](C[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2)C(C)C ZINC000716654769 661226060 /nfs/dbraw/zinc/22/60/60/661226060.db2.gz LNKVTEDMANBODA-LWYYNNOASA-N 2 1 316.489 3.300 10 0 DGAEMP CO[C@@H](C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2)C(C)C ZINC000716654771 661226260 /nfs/dbraw/zinc/22/62/60/661226260.db2.gz LNKVTEDMANBODA-YRPNKDGESA-N 2 1 316.489 3.300 10 0 DGAEMP CO[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000310013440 656129710 /nfs/dbraw/zinc/12/97/10/656129710.db2.gz LYXVHQCWXWONGI-IPMKNSEASA-N 2 1 302.462 3.056 10 0 DGAEMP CO[C@H]1C[C@H](C[NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)C1 ZINC000716696181 661227542 /nfs/dbraw/zinc/22/75/42/661227542.db2.gz BWJXZJNBEYEDSF-KNJMJIDISA-N 2 1 314.473 3.054 10 0 DGAEMP C[C@@H]1C[C@H]([NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)[C@H](C)O1 ZINC000716688848 661227769 /nfs/dbraw/zinc/22/77/69/661227769.db2.gz BXTUFQLLWBQDIS-CARQVRACSA-N 2 1 314.473 3.195 10 0 DGAEMP CC[C@@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CCCOC1 ZINC000723950822 656504666 /nfs/dbraw/zinc/50/46/66/656504666.db2.gz KGMAGNUQWCYFDW-UYAOXDASSA-N 2 1 316.489 3.446 10 0 DGAEMP CC[C@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CCCOC1 ZINC000723950821 656504902 /nfs/dbraw/zinc/50/49/02/656504902.db2.gz KGMAGNUQWCYFDW-QUCCMNQESA-N 2 1 316.489 3.446 10 0 DGAEMP Fc1cccc(Cl)c1C[C@H]1CCC[N@H+]1CC1CC[NH2+]CC1 ZINC000262151838 657411888 /nfs/dbraw/zinc/41/18/88/657411888.db2.gz FYIQHGGIXOETGI-CQSZACIVSA-N 2 1 310.844 3.486 10 0 DGAEMP [NH3+]CC[C@@H]1CCC[N@@H+](Cc2cccc(F)c2Br)C1 ZINC000157009777 658976160 /nfs/dbraw/zinc/97/61/60/658976160.db2.gz DAJQUWGYBKVYBG-NSHDSACASA-N 2 1 315.230 3.149 10 0 DGAEMP Cc1cc(Cl)cc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)c1O ZINC000180751671 659969388 /nfs/dbraw/zinc/96/93/88/659969388.db2.gz DONRYTFZMVZDDV-CZUORRHYSA-N 2 1 308.853 3.270 10 0 DGAEMP C[C@H]([NH2+][C@H]1CCCc2n[nH]cc21)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000353684451 660026612 /nfs/dbraw/zinc/02/66/12/660026612.db2.gz SIUDXZMRTSPRKA-IEZWGBDMSA-N 2 1 324.472 3.287 10 0 DGAEMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCc1ccns1 ZINC000719908521 662299400 /nfs/dbraw/zinc/29/94/00/662299400.db2.gz QROLCGLRXNEEEZ-QAPCUYQASA-N 2 1 315.486 3.186 10 0 DGAEMP COCC[N@@H+](CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)Cc1ccccc1 ZINC000384380685 685171408 /nfs/dbraw/zinc/17/14/08/685171408.db2.gz GZOVYYQVKHXWLL-YQQQUEKLSA-N 2 1 302.462 3.056 10 0 DGAEMP COc1ccc(CNCCC[N@@H+](C)Cc2ccccc2)c(F)c1 ZINC000303798682 1199599992 /nfs/dbraw/zinc/59/99/92/1199599992.db2.gz MRMPKUNVSOYVLB-UHFFFAOYSA-N 2 1 316.420 3.446 10 0 DGAEMP Cc1ncc(CN[C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)o1 ZINC000716681078 1100575589 /nfs/dbraw/zinc/57/55/89/1100575589.db2.gz KHEREFUVAVSHKV-KSZLIROESA-N 2 1 311.429 3.126 10 0 DGAEMP Cc1ncc(C[NH2+]CC[C@@H](C)[N@H+](C)Cc2ccccc2)s1 ZINC000379641877 1108033294 /nfs/dbraw/zinc/03/32/94/1108033294.db2.gz YPYKXSDZEXRPKI-CQSZACIVSA-N 2 1 303.475 3.452 10 0 DGAEMP Cc1ncc(C[NH2+]CC[C@@H](C)[N@@H+](C)Cc2ccccc2)s1 ZINC000379641877 1108033307 /nfs/dbraw/zinc/03/33/07/1108033307.db2.gz YPYKXSDZEXRPKI-CQSZACIVSA-N 2 1 303.475 3.452 10 0 DGAEMP CN1CCC[C@@H]1CC[N@H+]1CCC[C@@H]1CC(=O)c1ccc(F)cc1 ZINC000130296248 432020801 /nfs/dbraw/zinc/02/08/01/432020801.db2.gz SEJDRVBSSNKDBF-QZTJIDSGSA-N 2 1 318.436 3.347 10 0 DGAEMP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC[C@@H]1CC(=O)c1ccc(F)cc1 ZINC000130296248 432020802 /nfs/dbraw/zinc/02/08/02/432020802.db2.gz SEJDRVBSSNKDBF-QZTJIDSGSA-N 2 1 318.436 3.347 10 0 DGAEMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCC[C@@H]1CC(=O)c1ccc(F)cc1 ZINC000130296248 432020811 /nfs/dbraw/zinc/02/08/11/432020811.db2.gz SEJDRVBSSNKDBF-QZTJIDSGSA-N 2 1 318.436 3.347 10 0 DGAEMP CC[N@H+]1CC[C@H]([NH2+]C2CCN(c3cccs3)CC2)[C@H](C)C1 ZINC000168421287 432069010 /nfs/dbraw/zinc/06/90/10/432069010.db2.gz WKEBHIULTPJWET-ZBFHGGJFSA-N 2 1 307.507 3.037 10 0 DGAEMP Cc1cccc(NC[C@H]2CC[N@H+](Cc3cnn(C(C)C)c3)C2)[nH+]1 ZINC000179857318 199088977 /nfs/dbraw/zinc/08/89/77/199088977.db2.gz WZYZCLNUXFQBFP-MRXNPFEDSA-N 2 1 313.449 3.101 10 0 DGAEMP COc1c(C)cc(C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)cc1C ZINC000180124957 432079443 /nfs/dbraw/zinc/07/94/43/432079443.db2.gz AZEUFRPTQHZTOQ-GOSISDBHSA-N 2 1 313.445 3.482 10 0 DGAEMP COc1c(C)cc(C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)cc1C ZINC000180124957 432079444 /nfs/dbraw/zinc/07/94/44/432079444.db2.gz AZEUFRPTQHZTOQ-GOSISDBHSA-N 2 1 313.445 3.482 10 0 DGAEMP c1nc(C2CCC2)sc1C[N@@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000415060888 237044918 /nfs/dbraw/zinc/04/49/18/237044918.db2.gz ZFAKHVHPZBAPLG-ZBFHGGJFSA-N 2 1 305.491 3.375 10 0 DGAEMP c1nc(C2CCC2)sc1C[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000415060888 237044930 /nfs/dbraw/zinc/04/49/30/237044930.db2.gz ZFAKHVHPZBAPLG-ZBFHGGJFSA-N 2 1 305.491 3.375 10 0 DGAEMP c1[nH]nc2cc(C[N@H+]3CC[C@@H]4[C@@H](CCC[NH+]4C4CC4)C3)ccc12 ZINC000246099980 432094681 /nfs/dbraw/zinc/09/46/81/432094681.db2.gz JDZSUNSPLGPOBE-QFBILLFUSA-N 2 1 310.445 3.012 10 0 DGAEMP c1[nH]nc2cc(C[NH+]3CC[C@@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)ccc12 ZINC000246099980 432094684 /nfs/dbraw/zinc/09/46/84/432094684.db2.gz JDZSUNSPLGPOBE-QFBILLFUSA-N 2 1 310.445 3.012 10 0 DGAEMP c1[nH]nc2cc(C[NH+]3CC[C@@H]4[C@@H](CCC[N@H+]4C4CC4)C3)ccc12 ZINC000246099980 432094687 /nfs/dbraw/zinc/09/46/87/432094687.db2.gz JDZSUNSPLGPOBE-QFBILLFUSA-N 2 1 310.445 3.012 10 0 DGAEMP Cc1cc(C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)ccn1 ZINC000449403929 240180841 /nfs/dbraw/zinc/18/08/41/240180841.db2.gz SEQVMGKHHPNVKL-QHAWAJNXSA-N 2 1 321.468 3.390 10 0 DGAEMP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccccc2OC2CCC2)[C@@H](C)C1 ZINC000246294835 432116552 /nfs/dbraw/zinc/11/65/52/432116552.db2.gz CQCWQEQKUONZQF-MAUKXSAKSA-N 2 1 302.462 3.438 10 0 DGAEMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccccc2OC2CCC2)[C@@H](C)C1 ZINC000246294835 432116557 /nfs/dbraw/zinc/11/65/57/432116557.db2.gz CQCWQEQKUONZQF-MAUKXSAKSA-N 2 1 302.462 3.438 10 0 DGAEMP C[C@H]1C[C@H]([NH+](C)Cc2ccc3c(c2)CC(C)(C)O3)CC[N@@H+]1C ZINC000093644204 193280108 /nfs/dbraw/zinc/28/01/08/193280108.db2.gz MTYJSYIKNXHQHZ-WMLDXEAASA-N 2 1 302.462 3.315 10 0 DGAEMP C[C@H]1C[C@H]([NH+](C)Cc2ccc3c(c2)CC(C)(C)O3)CC[N@H+]1C ZINC000093644204 193280110 /nfs/dbraw/zinc/28/01/10/193280110.db2.gz MTYJSYIKNXHQHZ-WMLDXEAASA-N 2 1 302.462 3.315 10 0 DGAEMP C[C@H]1C[C@H]([N@H+](C)Cc2ccc3c(c2)CC(C)(C)O3)CC[NH+]1C ZINC000093644204 193280113 /nfs/dbraw/zinc/28/01/13/193280113.db2.gz MTYJSYIKNXHQHZ-WMLDXEAASA-N 2 1 302.462 3.315 10 0 DGAEMP C[C@H]1C[C@H]([N@@H+](C)Cc2ccc3c(c2)CC(C)(C)O3)CC[NH+]1C ZINC000093644204 193280116 /nfs/dbraw/zinc/28/01/16/193280116.db2.gz MTYJSYIKNXHQHZ-WMLDXEAASA-N 2 1 302.462 3.315 10 0 DGAEMP C[N@@H+](CCOc1ccc(Cl)cc1Cl)CC(C)(C)C[NH3+] ZINC000093874417 193322360 /nfs/dbraw/zinc/32/23/60/193322360.db2.gz AYQCKVWWIGAJQT-UHFFFAOYSA-N 2 1 305.249 3.289 10 0 DGAEMP COc1ccc(CC2CC[NH+](CC[C@@H]3CCC[N@H+]3C)CC2)cc1 ZINC000125076655 284269390 /nfs/dbraw/zinc/26/93/90/284269390.db2.gz WWPWYRBCOZHIFG-IBGZPJMESA-N 2 1 316.489 3.434 10 0 DGAEMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2[C@H]3CCCO[C@@H]3C2(C)C)c1 ZINC000245845548 284355355 /nfs/dbraw/zinc/35/53/55/284355355.db2.gz FKGSHDAQIYVDJJ-QRVBRYPASA-N 2 1 316.489 3.432 10 0 DGAEMP c1ccc(OCC[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000246487240 432135686 /nfs/dbraw/zinc/13/56/86/432135686.db2.gz GXMYRTWTMPQYNV-QFBILLFUSA-N 2 1 300.446 3.014 10 0 DGAEMP c1ccc(OCC[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000246487240 432135692 /nfs/dbraw/zinc/13/56/92/432135692.db2.gz GXMYRTWTMPQYNV-QFBILLFUSA-N 2 1 300.446 3.014 10 0 DGAEMP c1ccc(OCC[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000246487240 432135680 /nfs/dbraw/zinc/13/56/80/432135680.db2.gz GXMYRTWTMPQYNV-QFBILLFUSA-N 2 1 300.446 3.014 10 0 DGAEMP CC[C@@H]([NH3+])[C@@H](c1ccc(Br)cc1)n1cc[nH+]c1C ZINC000042955861 183321707 /nfs/dbraw/zinc/32/17/07/183321707.db2.gz FNYHZNGZSWLBII-ZIAGYGMSSA-N 2 1 308.223 3.281 10 0 DGAEMP CCc1[nH+]ccn1[C@@H](c1cccc(Br)c1)[C@@H](C)[NH3+] ZINC000043022262 183329388 /nfs/dbraw/zinc/32/93/88/183329388.db2.gz LHKKZSSQTVDHCZ-QMTHXVAHSA-N 2 1 308.223 3.145 10 0 DGAEMP CC[N@H+]1CC[C@H]([NH+](C)CCCOCc2ccccc2)[C@@H](C)C1 ZINC000248606802 285010350 /nfs/dbraw/zinc/01/03/50/285010350.db2.gz WJMYSNKKGGGSFE-HKUYNNGSSA-N 2 1 304.478 3.255 10 0 DGAEMP CC[NH+]1CC[C@H]([N@H+](C)CCCOCc2ccccc2)[C@@H](C)C1 ZINC000248606802 285010353 /nfs/dbraw/zinc/01/03/53/285010353.db2.gz WJMYSNKKGGGSFE-HKUYNNGSSA-N 2 1 304.478 3.255 10 0 DGAEMP CC[NH+]1CC[C@H]([N@@H+](C)CCCOCc2ccccc2)[C@@H](C)C1 ZINC000248606802 285010355 /nfs/dbraw/zinc/01/03/55/285010355.db2.gz WJMYSNKKGGGSFE-HKUYNNGSSA-N 2 1 304.478 3.255 10 0 DGAEMP C[C@H](CCc1ccc(OC(F)F)cc1)[NH2+]C1CC[NH+](C)CC1 ZINC000119713146 195024050 /nfs/dbraw/zinc/02/40/50/195024050.db2.gz HOYOHGDPOJCKBO-CYBMUJFWSA-N 2 1 312.404 3.293 10 0 DGAEMP CC[N@@H+](C[C@H](C)COC)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000249247607 285064371 /nfs/dbraw/zinc/06/43/71/285064371.db2.gz BHRZTNYQMKSWKE-HKUYNNGSSA-N 2 1 304.478 3.113 10 0 DGAEMP CC[NH+](C[C@H](C)COC)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000249247607 285064373 /nfs/dbraw/zinc/06/43/73/285064373.db2.gz BHRZTNYQMKSWKE-HKUYNNGSSA-N 2 1 304.478 3.113 10 0 DGAEMP CC[NH+](C[C@H](C)COC)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000249247607 285064374 /nfs/dbraw/zinc/06/43/74/285064374.db2.gz BHRZTNYQMKSWKE-HKUYNNGSSA-N 2 1 304.478 3.113 10 0 DGAEMP Cc1cccc([C@H](C)[N@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)c1 ZINC000252480953 285102509 /nfs/dbraw/zinc/10/25/09/285102509.db2.gz HHSDQALZGLMDDE-IRXDYDNUSA-N 2 1 304.478 3.081 10 0 DGAEMP c1ccc([C@@H]2CC[C@H](C[NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)O2)cc1 ZINC000344032687 254216230 /nfs/dbraw/zinc/21/62/30/254216230.db2.gz HYGCPDAWXKRZAD-MANSERQUSA-N 2 1 300.446 3.123 10 0 DGAEMP CC[C@](C)(O)C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000291473207 285248429 /nfs/dbraw/zinc/24/84/29/285248429.db2.gz PNHGKIYJEUJZJL-IBGZPJMESA-N 2 1 316.489 3.136 10 0 DGAEMP C[NH+](C)[C@H]1CCO[C@]2(CC[N@@H+](Cc3ccccc3Cl)C2)C1 ZINC000503713115 257210566 /nfs/dbraw/zinc/21/05/66/257210566.db2.gz OBXXTYYJBSXFKD-DOTOQJQBSA-N 2 1 308.853 3.025 10 0 DGAEMP C[C@]1(C[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CCCS1 ZINC000392896289 400278122 /nfs/dbraw/zinc/27/81/22/400278122.db2.gz LTCIIULRKOHCCO-ZWKOTPCHSA-N 2 1 304.503 3.384 10 0 DGAEMP CCSCC[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000393905877 400280011 /nfs/dbraw/zinc/28/00/11/400280011.db2.gz MJDLAJRUYWENCN-FGTMMUONSA-N 2 1 304.503 3.240 10 0 DGAEMP Cc1[nH]c2ccccc2c1C(=O)C[N@H+]1CCC[C@H](n2ccnc2)C1 ZINC000591867613 400568201 /nfs/dbraw/zinc/56/82/01/400568201.db2.gz QCKYOIMUEYBKHR-HNNXBMFYSA-N 2 1 322.412 3.193 10 0 DGAEMP Cc1[nH]c2ccccc2c1C(=O)CN1CCC[C@H](n2ccnc2)C1 ZINC000591867613 400568204 /nfs/dbraw/zinc/56/82/04/400568204.db2.gz QCKYOIMUEYBKHR-HNNXBMFYSA-N 2 1 322.412 3.193 10 0 DGAEMP C[NH2+]CCOCC[N@@H+](C)[C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000629571461 400979307 /nfs/dbraw/zinc/97/93/07/400979307.db2.gz MMZBYYUBMRBIKS-NSHDSACASA-N 2 1 305.249 3.222 10 0 DGAEMP COC[C@H](C)C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000249454941 401084998 /nfs/dbraw/zinc/08/49/98/401084998.db2.gz DGNQTEYNNYDZTK-YZGWKJHDSA-N 2 1 316.489 3.255 10 0 DGAEMP COC[C@H](C)C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000249454941 401085003 /nfs/dbraw/zinc/08/50/03/401085003.db2.gz DGNQTEYNNYDZTK-YZGWKJHDSA-N 2 1 316.489 3.255 10 0 DGAEMP COC[C@H](C)C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000249454941 401085007 /nfs/dbraw/zinc/08/50/07/401085007.db2.gz DGNQTEYNNYDZTK-YZGWKJHDSA-N 2 1 316.489 3.255 10 0 DGAEMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H]2CCCC(F)(F)C2)[C@@H](C)C1 ZINC000358311879 286028396 /nfs/dbraw/zinc/02/83/96/286028396.db2.gz ZXEKFQYWBRZJPR-JYJNAYRXSA-N 2 1 318.452 3.291 10 0 DGAEMP Cc1cc(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)ccn1 ZINC000631194433 401422683 /nfs/dbraw/zinc/42/26/83/401422683.db2.gz LAMDUNWEKMEKQS-OXJNMPFZSA-N 2 1 309.457 3.248 10 0 DGAEMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](c2ccc3[nH]c(=O)oc3c2)C(C)C)C1 ZINC000359284084 286275440 /nfs/dbraw/zinc/27/54/40/286275440.db2.gz YWTDOGVECTZGHF-CXAGYDPISA-N 2 1 317.433 3.162 10 0 DGAEMP COCCC1(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)CCCCC1 ZINC000187353533 165087618 /nfs/dbraw/zinc/08/76/18/165087618.db2.gz PIJCWRLFXPQKQU-GOSISDBHSA-N 2 1 308.510 3.391 10 0 DGAEMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]Cc2ccnc(N)c2)cc1 ZINC000193524038 165327558 /nfs/dbraw/zinc/32/75/58/165327558.db2.gz GUALCERNWVOIEN-ZDUSSCGKSA-N 2 1 307.401 3.009 10 0 DGAEMP C[C@H](CO)CCC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000365810494 287174649 /nfs/dbraw/zinc/17/46/49/287174649.db2.gz AXRHHXNSXPRJFQ-FFGOWVMKSA-N 2 1 316.489 3.180 10 0 DGAEMP Cc1ccccc1C[NH+]1CCC(N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000246827321 432169804 /nfs/dbraw/zinc/16/98/04/432169804.db2.gz BLPBSGBHPNZKCF-FXAWDEMLSA-N 2 1 315.505 3.032 10 0 DGAEMP COc1ccc(CC[N@H+]2CC[C@H]3[C@@H](CCCN3C3CC3)C2)cc1 ZINC000246969347 432186682 /nfs/dbraw/zinc/18/66/82/432186682.db2.gz VIZSZSHRIJLFHR-PXNSSMCTSA-N 2 1 314.473 3.186 10 0 DGAEMP COc1ccc(CC[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000246969347 432186685 /nfs/dbraw/zinc/18/66/85/432186685.db2.gz VIZSZSHRIJLFHR-PXNSSMCTSA-N 2 1 314.473 3.186 10 0 DGAEMP COc1ccc(CC[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000246969347 432186687 /nfs/dbraw/zinc/18/66/87/432186687.db2.gz VIZSZSHRIJLFHR-PXNSSMCTSA-N 2 1 314.473 3.186 10 0 DGAEMP COc1ccc(CC[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000246969347 432186692 /nfs/dbraw/zinc/18/66/92/432186692.db2.gz VIZSZSHRIJLFHR-PXNSSMCTSA-N 2 1 314.473 3.186 10 0 DGAEMP COc1ccc(CC[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000246969347 432186696 /nfs/dbraw/zinc/18/66/96/432186696.db2.gz VIZSZSHRIJLFHR-PXNSSMCTSA-N 2 1 314.473 3.186 10 0 DGAEMP CC[N@H+]1CC[C@@H]([NH2+]C2CCN(c3cccs3)CC2)[C@@H](C)C1 ZINC000247222298 432213081 /nfs/dbraw/zinc/21/30/81/432213081.db2.gz WKEBHIULTPJWET-GOEBONIOSA-N 2 1 307.507 3.037 10 0 DGAEMP CC[NH+]1CC[C@H]([N@H+](C)CCCOCCc2ccccc2)[C@@H](C)C1 ZINC000247237982 432214383 /nfs/dbraw/zinc/21/43/83/432214383.db2.gz SPQBKGSYYNJRGQ-ICSRJNTNSA-N 2 1 318.505 3.298 10 0 DGAEMP CC[NH+]1CC[C@H]([N@@H+](C)CCCOCCc2ccccc2)[C@@H](C)C1 ZINC000247237982 432214385 /nfs/dbraw/zinc/21/43/85/432214385.db2.gz SPQBKGSYYNJRGQ-ICSRJNTNSA-N 2 1 318.505 3.298 10 0 DGAEMP CC[NH+](CC)CCC[NH2+][C@H](C)c1ccc(OC)c(NC(C)=O)c1 ZINC000131451470 196170218 /nfs/dbraw/zinc/17/02/18/196170218.db2.gz WDVJPVPDCNANFF-CQSZACIVSA-N 2 1 321.465 3.036 10 0 DGAEMP COc1ccc(OC)c([C@H](C)[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c1 ZINC000131831508 196202885 /nfs/dbraw/zinc/20/28/85/196202885.db2.gz CTEQPQIOQRXBPI-HNSVSWJLSA-N 2 1 318.461 3.370 10 0 DGAEMP C[C@@H]1CCC[C@H](CC[N@H+]2CCCC[C@H](N3CCN(C)CC3)C2)C1 ZINC000182900606 432240652 /nfs/dbraw/zinc/24/06/52/432240652.db2.gz NHWHIAPPZZTKOU-AQNXPRMDSA-N 2 1 321.553 3.305 10 0 DGAEMP C[C@@H]1CCC[C@H](CC[N@@H+]2CCCC[C@H](N3CC[NH+](C)CC3)C2)C1 ZINC000182900606 432240654 /nfs/dbraw/zinc/24/06/54/432240654.db2.gz NHWHIAPPZZTKOU-AQNXPRMDSA-N 2 1 321.553 3.305 10 0 DGAEMP C[C@@H]1CCC[C@H](CC[N@H+]2CCCC[C@H](N3CC[NH+](C)CC3)C2)C1 ZINC000182900606 432240656 /nfs/dbraw/zinc/24/06/56/432240656.db2.gz NHWHIAPPZZTKOU-AQNXPRMDSA-N 2 1 321.553 3.305 10 0 DGAEMP COc1ccccc1[C@H](C)NCc1cccnc1-n1ccnc1 ZINC000151500913 432252680 /nfs/dbraw/zinc/25/26/80/432252680.db2.gz JOAPEEQBDLHHAD-AWEZNQCLSA-N 2 1 308.385 3.127 10 0 DGAEMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)[C@H](C)O1 ZINC000449155917 278026125 /nfs/dbraw/zinc/02/61/25/278026125.db2.gz CLYAARSUJQZPIR-JLHDYFKBSA-N 2 1 308.491 3.287 10 0 DGAEMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)[C@H](C)O1 ZINC000449155917 278026128 /nfs/dbraw/zinc/02/61/28/278026128.db2.gz CLYAARSUJQZPIR-JLHDYFKBSA-N 2 1 308.491 3.287 10 0 DGAEMP [NH3+]CC[C@@H]1CCC[N@@H+](CCOc2c(Cl)cccc2Cl)C1 ZINC000070170572 431243970 /nfs/dbraw/zinc/24/39/70/431243970.db2.gz SJSNYEVLMKHUCX-LBPRGKRZSA-N 2 1 317.260 3.433 10 0 DGAEMP C[C@H]1c2cccc(Br)c2CC[N@@H+]1CC1CC[NH2+]CC1 ZINC000262018930 280124698 /nfs/dbraw/zinc/12/46/98/280124698.db2.gz VZKMEUBPBRZYJL-LBPRGKRZSA-N 2 1 323.278 3.368 10 0 DGAEMP CC[N@H+]1CC[C@@H](N(C)Cc2cnn(-c3ccccc3)c2)[C@H](C)C1 ZINC000081095497 431781342 /nfs/dbraw/zinc/78/13/42/431781342.db2.gz BICOHTAYAVGPNZ-VQIMIIECSA-N 2 1 312.461 3.034 10 0 DGAEMP CC(C)c1ccccc1NC(=O)CN(C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000123029564 431852461 /nfs/dbraw/zinc/85/24/61/431852461.db2.gz WUVGIYAWCOVDOL-CVEARBPZSA-N 2 1 317.477 3.163 10 0 DGAEMP CC[N@H+]1CC[C@H]([NH2+]CCCCOCc2ccccc2)[C@H](C)C1 ZINC000127458610 431972892 /nfs/dbraw/zinc/97/28/92/431972892.db2.gz BEQCRDLVJLNZMB-MJGOQNOKSA-N 2 1 304.478 3.303 10 0 DGAEMP CCC[N@@H+]1CC[C@@H](C[NH2+][C@H]2CCCOc3cc(F)ccc32)C1 ZINC000248464054 432293426 /nfs/dbraw/zinc/29/34/26/432293426.db2.gz ZERRZJVDQKIYCA-YOEHRIQHSA-N 2 1 306.425 3.361 10 0 DGAEMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H]2CCCOc3cc(F)ccc32)C1 ZINC000248464054 432293432 /nfs/dbraw/zinc/29/34/32/432293432.db2.gz ZERRZJVDQKIYCA-YOEHRIQHSA-N 2 1 306.425 3.361 10 0 DGAEMP CN(C)c1ccccc1C[N@H+]1CC[C@H](CNc2ccccn2)C1 ZINC000173779536 432299105 /nfs/dbraw/zinc/29/91/05/432299105.db2.gz FLYGMLSZRYJHAU-MRXNPFEDSA-N 2 1 310.445 3.082 10 0 DGAEMP CC(C)[NH+]1CCN(CCC[N@@H+](C)Cc2ccc(Cl)cc2)CC1 ZINC000191417256 432262973 /nfs/dbraw/zinc/26/29/73/432262973.db2.gz HIWHILDDNZTSGG-UHFFFAOYSA-N 2 1 323.912 3.188 10 0 DGAEMP Cc1ccc2cc(C[NH+]3CC[C@H]4[C@@H](CCC[N@@H+]4C)C3)ccc2n1 ZINC000249850564 432360023 /nfs/dbraw/zinc/36/00/23/432360023.db2.gz PINHYZFHXHGBEI-ICSRJNTNSA-N 2 1 309.457 3.459 10 0 DGAEMP Cc1ccc2cc(C[N@@H+]3CC[C@H]4[C@@H](CCC[NH+]4C)C3)ccc2n1 ZINC000249850564 432360029 /nfs/dbraw/zinc/36/00/29/432360029.db2.gz PINHYZFHXHGBEI-ICSRJNTNSA-N 2 1 309.457 3.459 10 0 DGAEMP Cc1ccc2cc(C[N@H+]3CC[C@H]4[C@@H](CCC[NH+]4C)C3)ccc2n1 ZINC000249850564 432360033 /nfs/dbraw/zinc/36/00/33/432360033.db2.gz PINHYZFHXHGBEI-ICSRJNTNSA-N 2 1 309.457 3.459 10 0 DGAEMP COc1cccc([C@@H](C)[NH+]2CCC(Cc3[nH+]ccn3C)CC2)c1 ZINC000175650763 432455170 /nfs/dbraw/zinc/45/51/70/432455170.db2.gz DVPWSJDVZRODED-OAHLLOKOSA-N 2 1 313.445 3.444 10 0 DGAEMP COc1ccc2[nH]c3c(c2c1)CC[NH2+]C31CC[NH+](C(C)C)CC1 ZINC000257179602 432416312 /nfs/dbraw/zinc/41/63/12/432416312.db2.gz CUPOFKIAEUJFFY-UHFFFAOYSA-N 2 1 313.445 3.022 10 0 DGAEMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1cn[nH]c1 ZINC000271532743 432416495 /nfs/dbraw/zinc/41/64/95/432416495.db2.gz PSUSFPOGVZKLOI-FMJMRLDVSA-N 2 1 310.445 3.256 10 0 DGAEMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1cn[nH]c1 ZINC000271532743 432416500 /nfs/dbraw/zinc/41/65/00/432416500.db2.gz PSUSFPOGVZKLOI-FMJMRLDVSA-N 2 1 310.445 3.256 10 0 DGAEMP CCOc1ccc(C[N@H+](C)[C@@H]2CCN(C)[C@H](C)C2)cc1OCC ZINC000177057966 432579922 /nfs/dbraw/zinc/57/99/22/432579922.db2.gz CLFYHLDLMGRYPE-NVXWUHKLSA-N 2 1 320.477 3.399 10 0 DGAEMP CCOc1ccc(C[N@@H+](C)[C@@H]2CCN(C)[C@H](C)C2)cc1OCC ZINC000177057966 432579930 /nfs/dbraw/zinc/57/99/30/432579930.db2.gz CLFYHLDLMGRYPE-NVXWUHKLSA-N 2 1 320.477 3.399 10 0 DGAEMP CC[NH+](C[C@@H](C)COC)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000187411606 432662186 /nfs/dbraw/zinc/66/21/86/432662186.db2.gz BHRZTNYQMKSWKE-IEBWSBKVSA-N 2 1 304.478 3.113 10 0 DGAEMP CC[NH+](C[C@@H](C)COC)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000187411606 432662191 /nfs/dbraw/zinc/66/21/91/432662191.db2.gz BHRZTNYQMKSWKE-IEBWSBKVSA-N 2 1 304.478 3.113 10 0 DGAEMP COC[C@H](C)C[NH2+]Cc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000187667411 432676317 /nfs/dbraw/zinc/67/63/17/432676317.db2.gz JGDIYQVDPNOSMT-DLBZAZTESA-N 2 1 304.478 3.291 10 0 DGAEMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1cnc(CC(C)C)s1 ZINC000178788853 432777070 /nfs/dbraw/zinc/77/70/70/432777070.db2.gz CXOBBMBBFIVMDA-ZDUSSCGKSA-N 2 1 306.479 3.272 10 0 DGAEMP CC[N@H+]1CC[C@H]([NH+](C)CCCOc2ccc(F)cc2)[C@@H](C)C1 ZINC000245429026 432829308 /nfs/dbraw/zinc/82/93/08/432829308.db2.gz MVGAEBSQVJQQNK-YJBOKZPZSA-N 2 1 308.441 3.257 10 0 DGAEMP CC[NH+]1CC[C@H]([N@H+](C)CCCOc2ccc(F)cc2)[C@@H](C)C1 ZINC000245429026 432829311 /nfs/dbraw/zinc/82/93/11/432829311.db2.gz MVGAEBSQVJQQNK-YJBOKZPZSA-N 2 1 308.441 3.257 10 0 DGAEMP CC[NH+]1CC[C@H]([N@@H+](C)CCCOc2ccc(F)cc2)[C@@H](C)C1 ZINC000245429026 432829313 /nfs/dbraw/zinc/82/93/13/432829313.db2.gz MVGAEBSQVJQQNK-YJBOKZPZSA-N 2 1 308.441 3.257 10 0 DGAEMP CCc1csc([C@@H]2CCC[N@H+](CCC[NH+]3CCCC3)C2)n1 ZINC000163008710 432840128 /nfs/dbraw/zinc/84/01/28/432840128.db2.gz QDWKUBBQZPFZNT-OAHLLOKOSA-N 2 1 307.507 3.371 10 0 DGAEMP CCc1csc([C@@H]2CCC[N@@H+](CCC[NH+]3CCCC3)C2)n1 ZINC000163008710 432840131 /nfs/dbraw/zinc/84/01/31/432840131.db2.gz QDWKUBBQZPFZNT-OAHLLOKOSA-N 2 1 307.507 3.371 10 0 DGAEMP O[C@@H](C[C@H]1CCC[N@H+]1CCC[NH+]1CCCC1)c1ccccc1 ZINC000163182079 432844675 /nfs/dbraw/zinc/84/46/75/432844675.db2.gz CHZJHBVMIZFTCH-MOPGFXCFSA-N 2 1 302.462 3.060 10 0 DGAEMP O[C@H](C[C@H]1CCC[N@H+]1CCC[NH+]1CCCC1)c1ccccc1 ZINC000163181989 432844983 /nfs/dbraw/zinc/84/49/83/432844983.db2.gz CHZJHBVMIZFTCH-RTBURBONSA-N 2 1 302.462 3.060 10 0 DGAEMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1CCC(CO)CC1 ZINC000361980145 433480722 /nfs/dbraw/zinc/48/07/22/433480722.db2.gz HOOWNPQGTCMDDM-SGZDXZSOSA-N 2 1 316.489 3.038 10 0 DGAEMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1CCC(CO)CC1 ZINC000361980145 433480730 /nfs/dbraw/zinc/48/07/30/433480730.db2.gz HOOWNPQGTCMDDM-SGZDXZSOSA-N 2 1 316.489 3.038 10 0 DGAEMP Cc1cc(NC[C@@H](C)[N@H+]2CCOC[C@@H]2C)c2cc(F)ccc2[nH+]1 ZINC000301687062 433679540 /nfs/dbraw/zinc/67/95/40/433679540.db2.gz VAZOCXXOENADLS-KGLIPLIRSA-N 2 1 317.408 3.203 10 0 DGAEMP COc1cccc(C2=CC[N@H+](CC[C@@H]3CCC[NH+]3C)CC2)c1 ZINC000362399648 433694763 /nfs/dbraw/zinc/69/47/63/433694763.db2.gz BQBSBOFKOCRSNM-SFHVURJKSA-N 2 1 300.446 3.269 10 0 DGAEMP COc1cccc(C2=CC[N@@H+](CC[C@@H]3CCC[NH+]3C)CC2)c1 ZINC000362399648 433694773 /nfs/dbraw/zinc/69/47/73/433694773.db2.gz BQBSBOFKOCRSNM-SFHVURJKSA-N 2 1 300.446 3.269 10 0 DGAEMP COc1cccc(C2=CC[NH+](CC[C@@H]3CCC[N@@H+]3C)CC2)c1 ZINC000362399648 433694780 /nfs/dbraw/zinc/69/47/80/433694780.db2.gz BQBSBOFKOCRSNM-SFHVURJKSA-N 2 1 300.446 3.269 10 0 DGAEMP COc1cccc(C2=CC[NH+](CC[C@@H]3CCC[N@H+]3C)CC2)c1 ZINC000362399648 433694791 /nfs/dbraw/zinc/69/47/91/433694791.db2.gz BQBSBOFKOCRSNM-SFHVURJKSA-N 2 1 300.446 3.269 10 0 DGAEMP Cc1nccc(C[NH+]2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)n1 ZINC000373613641 293297343 /nfs/dbraw/zinc/29/73/43/293297343.db2.gz UWUQASCLQGIGQE-MRXNPFEDSA-N 2 1 316.493 3.262 10 0 DGAEMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)CS1 ZINC000309772485 434094988 /nfs/dbraw/zinc/09/49/88/434094988.db2.gz HXTAFPXZNZGROP-IQZDNPOKSA-N 2 1 316.514 3.381 10 0 DGAEMP c1ccc([C@H]2CC[C@H]([NH2+]CCC[NH2+]Cc3cccnc3)C2)cc1 ZINC000423188581 434273402 /nfs/dbraw/zinc/27/34/02/434273402.db2.gz OEHWEROYOHHTFG-PMACEKPBSA-N 2 1 309.457 3.487 10 0 DGAEMP c1ccc(C[C@H]([NH2+]CCC[NH2+]Cc2cccnc2)C2CC2)cc1 ZINC000423189500 434273567 /nfs/dbraw/zinc/27/35/67/434273567.db2.gz POSKWOHENMKSPU-FQEVSTJZSA-N 2 1 309.457 3.172 10 0 DGAEMP COC[C@H]([NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)C(C)C ZINC000381766181 434274937 /nfs/dbraw/zinc/27/49/37/434274937.db2.gz NVIYPYAGKDHRCS-HAGHYFMRSA-N 2 1 316.489 3.158 10 0 DGAEMP c1ccc2c(c1)SCC[C@@H]2[NH2+]CCC[NH2+]Cc1cccnc1 ZINC000423192387 434275372 /nfs/dbraw/zinc/27/53/72/434275372.db2.gz VCBQFBGIXKGYTD-KRWDZBQOSA-N 2 1 313.470 3.388 10 0 DGAEMP Cc1cnccc1C[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000385076065 434299717 /nfs/dbraw/zinc/29/97/17/434299717.db2.gz XPNYQRNWHDYALH-PWRODBHTSA-N 2 1 321.468 3.390 10 0 DGAEMP CC[C@H](O)CCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000358169474 434361632 /nfs/dbraw/zinc/36/16/32/434361632.db2.gz PEUOMEZDPMTQGE-WDSOQIARSA-N 2 1 304.478 3.038 10 0 DGAEMP CC[C@H](O)CCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000358169474 434361640 /nfs/dbraw/zinc/36/16/40/434361640.db2.gz PEUOMEZDPMTQGE-WDSOQIARSA-N 2 1 304.478 3.038 10 0 DGAEMP COC[C@H](C)C[NH2+]C[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000390769539 434367441 /nfs/dbraw/zinc/36/74/41/434367441.db2.gz KGQSMCKPVYOEEH-IEBWSBKVSA-N 2 1 304.478 3.161 10 0 DGAEMP C[C@H](CCCC[NH3+])[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000398033996 434448609 /nfs/dbraw/zinc/44/86/09/434448609.db2.gz OPVLWCIQIHMTKW-SCTDSRPQSA-N 3 1 303.494 3.004 10 0 DGAEMP C[C@H](CCCC[NH3+])[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000398033996 434448618 /nfs/dbraw/zinc/44/86/18/434448618.db2.gz OPVLWCIQIHMTKW-SCTDSRPQSA-N 3 1 303.494 3.004 10 0 DGAEMP C1C[C@H]([NH2+]C2CCC(N3CC[NH2+]CC3)CC2)C2(C1)CCCCC2 ZINC000423507643 434467096 /nfs/dbraw/zinc/46/70/96/434467096.db2.gz JVDLITBYMWDBRR-ACBHZAAOSA-N 2 1 319.537 3.295 10 0 DGAEMP c1ccc([C@H]2CC[C@H](C[NH2+]C3CC[NH+](C4CC4)CC3)O2)cc1 ZINC000459564255 434610111 /nfs/dbraw/zinc/61/01/11/434610111.db2.gz FHDIJOJVJPZWCU-RTBURBONSA-N 2 1 300.446 3.123 10 0 DGAEMP c1ncc(CC[N@H+]2CCC[C@@H](c3ncc4n3CCCC4)C2)s1 ZINC000411700481 434819502 /nfs/dbraw/zinc/81/95/02/434819502.db2.gz ZVPUSTJNWAGAQS-CQSZACIVSA-N 2 1 316.474 3.098 10 0 DGAEMP c1ccc(C[N@H+]2CC[C@@H]([NH2+]C[C@@H]3CCCOC3)CC23CC3)cc1 ZINC000573205996 434880551 /nfs/dbraw/zinc/88/05/51/434880551.db2.gz MUWIZEWRAUNQQF-RBUKOAKNSA-N 2 1 314.473 3.200 10 0 DGAEMP c1ccc(C[N@@H+]2CC[C@@H]([NH2+]C[C@@H]3CCCOC3)CC23CC3)cc1 ZINC000573205996 434880555 /nfs/dbraw/zinc/88/05/55/434880555.db2.gz MUWIZEWRAUNQQF-RBUKOAKNSA-N 2 1 314.473 3.200 10 0 DGAEMP CC[N@H+]1CC[C@H](C[NH2+]Cc2ccc(C(=O)OC(C)(C)C)cc2)C1 ZINC000462799900 434929215 /nfs/dbraw/zinc/92/92/15/434929215.db2.gz ZHNHEVPZQFZXEU-MRXNPFEDSA-N 2 1 318.461 3.073 10 0 DGAEMP CO[C@@H]1CCC[C@@H]1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000537096028 435425715 /nfs/dbraw/zinc/42/57/15/435425715.db2.gz DHCMVLARHCOLJJ-VBSBHUPXSA-N 2 1 316.489 3.302 10 0 DGAEMP CC(=O)c1c(C)cc(C)c(C[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c1C ZINC000569927639 435573190 /nfs/dbraw/zinc/57/31/90/435573190.db2.gz FDULIFMYMNTOLT-FQEVSTJZSA-N 2 1 314.473 3.390 10 0 DGAEMP CC(=O)c1c(C)cc(C)c(C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c1C ZINC000569927639 435573193 /nfs/dbraw/zinc/57/31/93/435573193.db2.gz FDULIFMYMNTOLT-FQEVSTJZSA-N 2 1 314.473 3.390 10 0 DGAEMP c1c[nH]c([C@@H]([NH2+]Cc2ccc3c[nH+]cn3c2)C2CCCCC2)n1 ZINC000572611873 315805967 /nfs/dbraw/zinc/80/59/67/315805967.db2.gz QEZALYVIGRMVFR-KRWDZBQOSA-N 2 1 309.417 3.469 10 0 DGAEMP Brc1cccc(C[N@@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)c1 ZINC000415054586 526646236 /nfs/dbraw/zinc/64/62/36/526646236.db2.gz QABOXMFKDUUDGE-ZBFHGGJFSA-N 2 1 323.278 3.413 10 0 DGAEMP Brc1cccc(C[N@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)c1 ZINC000415054586 526646238 /nfs/dbraw/zinc/64/62/38/526646238.db2.gz QABOXMFKDUUDGE-ZBFHGGJFSA-N 2 1 323.278 3.413 10 0 DGAEMP CC(C)CCn1cccc1C[NH2+]C[C@@H]1CCc2[nH+]ccn2C1 ZINC000328626492 527886299 /nfs/dbraw/zinc/88/62/99/527886299.db2.gz FDECLWGLOQYJMQ-INIZCTEOSA-N 2 1 300.450 3.083 10 0 DGAEMP C[C@@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CCCCO1 ZINC000393601701 575904599 /nfs/dbraw/zinc/90/45/99/575904599.db2.gz UNEDRMPXMJHGFD-APWZRJJASA-N 2 1 302.462 3.198 10 0 DGAEMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](CC2(O)CCCCC2)C1 ZINC000113997885 620970366 /nfs/dbraw/zinc/97/03/66/620970366.db2.gz CKSJZVRHJCNTGJ-QZTJIDSGSA-N 2 1 308.510 3.268 10 0 DGAEMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](CC2(O)CCCCC2)C1 ZINC000113997885 620970369 /nfs/dbraw/zinc/97/03/69/620970369.db2.gz CKSJZVRHJCNTGJ-QZTJIDSGSA-N 2 1 308.510 3.268 10 0 DGAEMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](CC2(O)CCCCC2)C1 ZINC000113997885 620970373 /nfs/dbraw/zinc/97/03/73/620970373.db2.gz CKSJZVRHJCNTGJ-QZTJIDSGSA-N 2 1 308.510 3.268 10 0 DGAEMP COC[C@@H](C[NH2+]C1CC[NH+](Cc2ccccc2)CC1)C(C)C ZINC000721941801 660453672 /nfs/dbraw/zinc/45/36/72/660453672.db2.gz OQZRQAXDYRPLMI-GOSISDBHSA-N 2 1 304.478 3.159 10 0 DGAEMP CC(C)OCCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716620465 661224897 /nfs/dbraw/zinc/22/48/97/661224897.db2.gz NJLFMTIUFUHYFL-ZCNNSNEGSA-N 2 1 316.489 3.444 10 0 DGAEMP CCC(O)(CC)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716622142 661225188 /nfs/dbraw/zinc/22/51/88/661225188.db2.gz TVLDFPOLFSXQMH-OTWHNJEPSA-N 2 1 316.489 3.180 10 0 DGAEMP CO[C@@H](C[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2)C(C)C ZINC000716654770 661225977 /nfs/dbraw/zinc/22/59/77/661225977.db2.gz LNKVTEDMANBODA-MUGJNUQGSA-N 2 1 316.489 3.300 10 0 DGAEMP C[C@H](O)C[C@H](C)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716680298 661226479 /nfs/dbraw/zinc/22/64/79/661226479.db2.gz HVYHKFUKUPPXAL-HNULKUCHSA-N 2 1 316.489 3.036 10 0 DGAEMP CC[C@@H]([NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2)C(C)(C)O ZINC000716703076 661227381 /nfs/dbraw/zinc/22/73/81/661227381.db2.gz WZKVZLKBSLBGQJ-CADBVGFASA-N 2 1 316.489 3.179 10 0 DGAEMP C[C@@H](CC(C)(C)O)[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716688845 661227466 /nfs/dbraw/zinc/22/74/66/661227466.db2.gz BXDMVSDVRWJXIA-WNHJNPCNSA-N 2 1 316.489 3.179 10 0 DGAEMP C[C@@H](CC(C)(C)O)[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716688843 661227730 /nfs/dbraw/zinc/22/77/30/661227730.db2.gz BXDMVSDVRWJXIA-KANFNMMFSA-N 2 1 316.489 3.179 10 0 DGAEMP C[C@H]([NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2)[C@@H]1CCOC1 ZINC000716734797 661228145 /nfs/dbraw/zinc/22/81/45/661228145.db2.gz WLFGDTWMGMXBOG-UVBQOVKKSA-N 2 1 314.473 3.054 10 0 DGAEMP Cc1cc(Cl)cc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)c1O ZINC000245641536 656392911 /nfs/dbraw/zinc/39/29/11/656392911.db2.gz DONRYTFZMVZDDV-BBRMVZONSA-N 2 1 308.853 3.270 10 0 DGAEMP C[C@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](CC2(O)CCCCC2)C1 ZINC000246283846 662252492 /nfs/dbraw/zinc/25/24/92/662252492.db2.gz CKSJZVRHJCNTGJ-ROUUACIJSA-N 2 1 308.510 3.268 10 0 DGAEMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](CC2(O)CCCCC2)C1 ZINC000246283846 662252493 /nfs/dbraw/zinc/25/24/93/662252493.db2.gz CKSJZVRHJCNTGJ-ROUUACIJSA-N 2 1 308.510 3.268 10 0 DGAEMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](CC2(O)CCCCC2)C1 ZINC000246283846 662252494 /nfs/dbraw/zinc/25/24/94/662252494.db2.gz CKSJZVRHJCNTGJ-ROUUACIJSA-N 2 1 308.510 3.268 10 0 DGAEMP C[C@@H]([NH2+]CCc1ccns1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000719821717 662297268 /nfs/dbraw/zinc/29/72/68/662297268.db2.gz YADNWABNMIULIH-WBVHZDCISA-N 2 1 315.486 3.186 10 0 DGAEMP CC[NH+](CC)CCC[N@H+]1CCC[C@@H]1C[C@@H](O)c1ccccc1 ZINC000249022370 662363085 /nfs/dbraw/zinc/36/30/85/662363085.db2.gz KKHFECIJHMYULH-RTBURBONSA-N 2 1 304.478 3.306 10 0 DGAEMP CO[C@@H]1CCC[C@H]1[NH2+]C[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000382026462 685161373 /nfs/dbraw/zinc/16/13/73/685161373.db2.gz BFGKSTNUPDRSAV-GUDVDZBRSA-N 2 1 302.462 3.056 10 0 DGAEMP c1ccc(C[NH+]2CCC([NH2+]CCNc3ccccc3)CC2)cc1 ZINC000141313849 1202516814 /nfs/dbraw/zinc/51/68/14/1202516814.db2.gz IMLCKUJHDYQKLL-UHFFFAOYSA-N 2 1 309.457 3.353 10 0 DGAEMP CC1(C)CC[C@@H](C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)OC1 ZINC000713601988 1086540933 /nfs/dbraw/zinc/54/09/33/1086540933.db2.gz RFPXKEBHVJEHDI-IBGZPJMESA-N 2 1 316.489 3.446 10 0 DGAEMP c1[nH]nc2c1[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc3ccccc3)C1)CCC2 ZINC000401671683 1093963217 /nfs/dbraw/zinc/96/32/17/1093963217.db2.gz ZVYGQHZLDSKVIH-HKUYNNGSSA-N 2 1 324.472 3.289 10 0 DGAEMP CC(C)[C@@H]1C[C@H]([NH2+]CCC[N@@H+](C)Cc2ccccc2)CCO1 ZINC000378921241 1108001178 /nfs/dbraw/zinc/00/11/78/1108001178.db2.gz PJOINPRHIGUXIE-MOPGFXCFSA-N 2 1 304.478 3.302 10 0 DGAEMP CN(C)c1cc[nH+]cc1C[NH2+]C[C@H]1CCO[C@@H]1c1ccccc1 ZINC000328617220 529800357 /nfs/dbraw/zinc/80/03/57/529800357.db2.gz CMOKDWMBZDOYHB-VQIMIIECSA-N 2 1 311.429 3.015 10 0 DGAEMP C[C@@H]([NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCCCO1 ZINC000272745543 210151233 /nfs/dbraw/zinc/15/12/33/210151233.db2.gz JANUKDQLCYSRQP-CUDHKJQZSA-N 2 1 316.489 3.444 10 0 DGAEMP c1ccc(CSCC[N@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)cc1 ZINC000415038136 237026620 /nfs/dbraw/zinc/02/66/20/237026620.db2.gz HKUYGLSANFNDEH-ZWKOTPCHSA-N 2 1 304.503 3.384 10 0 DGAEMP c1ccc(OCCCC[N@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)cc1 ZINC000415039660 237027820 /nfs/dbraw/zinc/02/78/20/237027820.db2.gz JJVPGESMQNLCNU-PKOBYXMFSA-N 2 1 302.462 3.310 10 0 DGAEMP C[N@@H+](Cc1cccnc1)C[C@H]1CC[NH+](CCCc2ccccc2)C1 ZINC000195289988 201372774 /nfs/dbraw/zinc/37/27/74/201372774.db2.gz QFADPRVSQPZVFW-OAQYLSRUSA-N 2 1 323.484 3.468 10 0 DGAEMP C[N@H+](Cc1cccnc1)C[C@H]1CC[NH+](CCCc2ccccc2)C1 ZINC000195289988 201372777 /nfs/dbraw/zinc/37/27/77/201372777.db2.gz QFADPRVSQPZVFW-OAQYLSRUSA-N 2 1 323.484 3.468 10 0 DGAEMP C[NH+](Cc1cccnc1)C[C@H]1CC[N@H+](CCCc2ccccc2)C1 ZINC000195289988 201372781 /nfs/dbraw/zinc/37/27/81/201372781.db2.gz QFADPRVSQPZVFW-OAQYLSRUSA-N 2 1 323.484 3.468 10 0 DGAEMP C[NH+](Cc1cccnc1)C[C@H]1CC[N@@H+](CCCc2ccccc2)C1 ZINC000195289988 201372785 /nfs/dbraw/zinc/37/27/85/201372785.db2.gz QFADPRVSQPZVFW-OAQYLSRUSA-N 2 1 323.484 3.468 10 0 DGAEMP CC(C)OC(=O)c1ccc(C[N@H+](C)[C@H]2CCN(C)[C@@H](C)C2)cc1 ZINC000135123505 432099639 /nfs/dbraw/zinc/09/96/39/432099639.db2.gz QFYKWNQTFZOHNE-YJBOKZPZSA-N 2 1 318.461 3.166 10 0 DGAEMP CC(C)OC(=O)c1ccc(C[N@@H+](C)[C@H]2CCN(C)[C@@H](C)C2)cc1 ZINC000135123505 432099642 /nfs/dbraw/zinc/09/96/42/432099642.db2.gz QFYKWNQTFZOHNE-YJBOKZPZSA-N 2 1 318.461 3.166 10 0 DGAEMP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2cnc(-c3ccccc3F)s2)C1 ZINC000449093425 240014440 /nfs/dbraw/zinc/01/44/40/240014440.db2.gz WWSMIUVZNYCARI-ZDUSSCGKSA-N 2 1 319.449 3.381 10 0 DGAEMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2cnc(-c3ccccc3F)s2)C1 ZINC000449093425 240014441 /nfs/dbraw/zinc/01/44/41/240014441.db2.gz WWSMIUVZNYCARI-ZDUSSCGKSA-N 2 1 319.449 3.381 10 0 DGAEMP CC[N@@H+]1CC[C@@H]([NH+](C)CC2=Cc3ccccc3OC2)[C@H](C)C1 ZINC000093639176 284013803 /nfs/dbraw/zinc/01/38/03/284013803.db2.gz BQNNHOOFBGJIBH-CRAIPNDOSA-N 2 1 300.446 3.125 10 0 DGAEMP CC[N@H+]1CC[C@@H]([NH+](C)CC2=Cc3ccccc3OC2)[C@H](C)C1 ZINC000093639176 284013806 /nfs/dbraw/zinc/01/38/06/284013806.db2.gz BQNNHOOFBGJIBH-CRAIPNDOSA-N 2 1 300.446 3.125 10 0 DGAEMP CC[NH+]1CC[C@@H]([N@H+](C)CC2=Cc3ccccc3OC2)[C@H](C)C1 ZINC000093639176 284013808 /nfs/dbraw/zinc/01/38/08/284013808.db2.gz BQNNHOOFBGJIBH-CRAIPNDOSA-N 2 1 300.446 3.125 10 0 DGAEMP CC[NH+]1CC[C@@H]([N@@H+](C)CC2=Cc3ccccc3OC2)[C@H](C)C1 ZINC000093639176 284013810 /nfs/dbraw/zinc/01/38/10/284013810.db2.gz BQNNHOOFBGJIBH-CRAIPNDOSA-N 2 1 300.446 3.125 10 0 DGAEMP CCCOc1c(Cl)cc(C[NH2+]CCC[NH2+]C)cc1OCC ZINC000020968115 182256502 /nfs/dbraw/zinc/25/65/02/182256502.db2.gz IXLWGDGAUMIOGA-UHFFFAOYSA-N 2 1 314.857 3.227 10 0 DGAEMP C[N@H+](Cc1ccc(Br)s1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040746480 183128660 /nfs/dbraw/zinc/12/86/60/183128660.db2.gz MTJGSOOQPRBPQA-ZACCUICWSA-N 2 1 315.280 3.225 10 0 DGAEMP C[N@@H+](Cc1ccc(Br)s1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040746480 183128663 /nfs/dbraw/zinc/12/86/63/183128663.db2.gz MTJGSOOQPRBPQA-ZACCUICWSA-N 2 1 315.280 3.225 10 0 DGAEMP CCc1[nH+]ccn1[C@H](c1cccc(Br)c1)[C@@H](C)[NH3+] ZINC000043022264 183330049 /nfs/dbraw/zinc/33/00/49/183330049.db2.gz LHKKZSSQTVDHCZ-YGRLFVJLSA-N 2 1 308.223 3.145 10 0 DGAEMP CCc1[nH+]ccn1[C@@H](c1ccccc1Br)[C@@H](C)[NH3+] ZINC000043093907 183336876 /nfs/dbraw/zinc/33/68/76/183336876.db2.gz KOWYTJLDCSUDNZ-QMTHXVAHSA-N 2 1 308.223 3.145 10 0 DGAEMP C[N@@H+](C/C=C/Cl)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000105915760 194168676 /nfs/dbraw/zinc/16/86/76/194168676.db2.gz ZUHCTGJIOKVNDK-YPHWWSSASA-N 2 1 322.880 3.116 10 0 DGAEMP C[N@@H+](Cc1cc(Br)cs1)CC1(C)CC[NH2+]CC1 ZINC000062841848 184256102 /nfs/dbraw/zinc/25/61/02/184256102.db2.gz REPUEYZJBLIZLK-UHFFFAOYSA-N 2 1 317.296 3.332 10 0 DGAEMP C[C@H](CC[N@H+](C)CC1CC[NH+](C[C@H](C)O)CC1)c1ccccc1 ZINC000249055739 285050392 /nfs/dbraw/zinc/05/03/92/285050392.db2.gz YOAPPGNAWGNGFP-MSOLQXFVSA-N 2 1 318.505 3.205 10 0 DGAEMP COC[C@@H](C)C[NH2+]Cc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000249850521 285089925 /nfs/dbraw/zinc/08/99/25/285089925.db2.gz PIBNTLGZXLLCAL-DLBZAZTESA-N 2 1 304.478 3.433 10 0 DGAEMP c1nc(-c2ccncc2)sc1C[NH2+]CCC[NH+]1CCCCC1 ZINC000343059062 254092614 /nfs/dbraw/zinc/09/26/14/254092614.db2.gz ARYJNNMVMYDGPD-UHFFFAOYSA-N 2 1 316.474 3.171 10 0 DGAEMP C[C@H]([NH2+][C@@H]1CCOC1(C)C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000294923996 224314116 /nfs/dbraw/zinc/31/41/16/224314116.db2.gz YZZDBLQMUCXGRD-RYQLBKOJSA-N 2 1 302.462 3.054 10 0 DGAEMP C[NH+](C)[C@H]1CCO[C@@]2(CC[N@@H+](Cc3cccc(Cl)c3)C2)C1 ZINC000248048570 257110124 /nfs/dbraw/zinc/11/01/24/257110124.db2.gz WWILGHLDWMESNJ-IRXDYDNUSA-N 2 1 308.853 3.025 10 0 DGAEMP C[N@@H+](Cc1cc(Cl)ccc1F)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000328648969 400183362 /nfs/dbraw/zinc/18/33/62/400183362.db2.gz UUZPQODEPGDJJP-LBPRGKRZSA-N 2 1 307.800 3.370 10 0 DGAEMP C[N@H+](Cc1cc(Cl)ccc1F)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000328648969 400183368 /nfs/dbraw/zinc/18/33/68/400183368.db2.gz UUZPQODEPGDJJP-LBPRGKRZSA-N 2 1 307.800 3.370 10 0 DGAEMP C[C@H]([NH2+]Cc1ccns1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000404431140 400295915 /nfs/dbraw/zinc/29/59/15/400295915.db2.gz MQUBMPBCBTVNRM-GOEBONIOSA-N 2 1 301.459 3.143 10 0 DGAEMP C[C@H]([NH2+]Cc1ccns1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000404431140 400295920 /nfs/dbraw/zinc/29/59/20/400295920.db2.gz MQUBMPBCBTVNRM-GOEBONIOSA-N 2 1 301.459 3.143 10 0 DGAEMP c1ccc(-c2cccc(C[NH2+]C3CC[NH+](C4CC4)CC3)c2)nc1 ZINC000126456175 400492498 /nfs/dbraw/zinc/49/24/98/400492498.db2.gz KWIIWOIJCGFFHO-UHFFFAOYSA-N 2 1 307.441 3.465 10 0 DGAEMP Cc1[nH]c2ccccc2c1C(=O)C[N@H+]1CCC[C@@H](n2ccnc2)C1 ZINC000591867618 400568634 /nfs/dbraw/zinc/56/86/34/400568634.db2.gz QCKYOIMUEYBKHR-OAHLLOKOSA-N 2 1 322.412 3.193 10 0 DGAEMP Cc1[nH]c2ccccc2c1C(=O)CN1CCC[C@@H](n2ccnc2)C1 ZINC000591867618 400568638 /nfs/dbraw/zinc/56/86/38/400568638.db2.gz QCKYOIMUEYBKHR-OAHLLOKOSA-N 2 1 322.412 3.193 10 0 DGAEMP CO[C@H]1C[C@@H](C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000623823871 401583567 /nfs/dbraw/zinc/58/35/67/401583567.db2.gz NQAYXSWFMIOKFL-YSHGAJCASA-N 2 1 302.462 3.054 10 0 DGAEMP CO[C@H]1C[C@@H](C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000623823871 401583568 /nfs/dbraw/zinc/58/35/68/401583568.db2.gz NQAYXSWFMIOKFL-YSHGAJCASA-N 2 1 302.462 3.054 10 0 DGAEMP C[C@H]([NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1CCCCO1 ZINC000623975055 401607428 /nfs/dbraw/zinc/60/74/28/401607428.db2.gz XYQIBPFAXGLJMP-YTQUADARSA-N 2 1 302.462 3.056 10 0 DGAEMP COCCCC[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000248411127 292322713 /nfs/dbraw/zinc/32/27/13/292322713.db2.gz YUYSEYXBLSPWLR-XUVXKRRUSA-N 2 1 316.489 3.303 10 0 DGAEMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)[C@@H]2CCCc3ccccc32)CC1 ZINC000170941741 287086584 /nfs/dbraw/zinc/08/65/84/287086584.db2.gz ZXHVHTGOCHZMGT-OXQOHEQNSA-N 2 1 316.489 3.089 10 0 DGAEMP c1cn(-c2ccccc2)c(C[NH+]2CCC(C[NH+]3CCCC3)CC2)n1 ZINC000191228997 165237480 /nfs/dbraw/zinc/23/74/80/165237480.db2.gz DXJOPHVCTZBVJM-UHFFFAOYSA-N 2 1 324.472 3.180 10 0 DGAEMP C[N@@H+]1C[C@@H]2C[NH+](CCCOc3cccc4ccccc43)C[C@@H]2C1 ZINC000193608004 165328165 /nfs/dbraw/zinc/32/81/65/165328165.db2.gz RBCOOAUJYBZKFL-HDICACEKSA-N 2 1 310.441 3.102 10 0 DGAEMP CCC[N@@H+]1CC[C@H](C[NH2+][C@H]2CCCOc3ccc(F)cc32)C1 ZINC000247245359 432214968 /nfs/dbraw/zinc/21/49/68/432214968.db2.gz ZENHWHNBHPRFNN-PBHICJAKSA-N 2 1 306.425 3.361 10 0 DGAEMP CCC[N@H+]1CC[C@H](C[NH2+][C@H]2CCCOc3ccc(F)cc32)C1 ZINC000247245359 432214972 /nfs/dbraw/zinc/21/49/72/432214972.db2.gz ZENHWHNBHPRFNN-PBHICJAKSA-N 2 1 306.425 3.361 10 0 DGAEMP Cc1ccc(NC(=O)CN(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1Cl ZINC000123798185 545907956 /nfs/dbraw/zinc/90/79/56/545907956.db2.gz GIAVBAMBINFSHX-UKRRQHHQSA-N 2 1 323.868 3.001 10 0 DGAEMP c1ccc(C[NH+]2C[C@H]3C[N@@H+](CC[C@H]4CCCCO4)C[C@H]3C2)cc1 ZINC000348326511 264390777 /nfs/dbraw/zinc/39/07/77/264390777.db2.gz ITYBZSXETKCBQN-HSALFYBXSA-N 2 1 314.473 3.009 10 0 DGAEMP c1ccc(C[N@@H+]2C[C@H]3C[NH+](CC[C@H]4CCCCO4)C[C@H]3C2)cc1 ZINC000348326511 264390778 /nfs/dbraw/zinc/39/07/78/264390778.db2.gz ITYBZSXETKCBQN-HSALFYBXSA-N 2 1 314.473 3.009 10 0 DGAEMP c1ccc(C[N@H+]2C[C@H]3C[NH+](CC[C@H]4CCCCO4)C[C@H]3C2)cc1 ZINC000348326511 264390779 /nfs/dbraw/zinc/39/07/79/264390779.db2.gz ITYBZSXETKCBQN-HSALFYBXSA-N 2 1 314.473 3.009 10 0 DGAEMP CC(C)CC1(C[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)CCCC1 ZINC000261938384 277349090 /nfs/dbraw/zinc/34/90/90/277349090.db2.gz MMSVLHORGSEXLU-KZNAEPCWSA-N 2 1 308.510 3.340 10 0 DGAEMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(-n3cccn3)cc2)[C@H](C)C1 ZINC000081097035 431784425 /nfs/dbraw/zinc/78/44/25/431784425.db2.gz UMMBGKWFQUKXEG-VQIMIIECSA-N 2 1 312.461 3.034 10 0 DGAEMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(-n3cccn3)cc2)[C@H](C)C1 ZINC000081097035 431784427 /nfs/dbraw/zinc/78/44/27/431784427.db2.gz UMMBGKWFQUKXEG-VQIMIIECSA-N 2 1 312.461 3.034 10 0 DGAEMP Clc1ccccc1OCC[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000037917783 431851885 /nfs/dbraw/zinc/85/18/85/431851885.db2.gz GSKSYABLVQQYGR-ZBFHGGJFSA-N 2 1 308.853 3.183 10 0 DGAEMP Clc1ccccc1OCC[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000037917783 431851886 /nfs/dbraw/zinc/85/18/86/431851886.db2.gz GSKSYABLVQQYGR-ZBFHGGJFSA-N 2 1 308.853 3.183 10 0 DGAEMP COC(=O)c1sccc1C[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000123149790 431856839 /nfs/dbraw/zinc/85/68/39/431856839.db2.gz ZMPLYMFJNPISLH-UHFFFAOYSA-N 2 1 324.490 3.089 10 0 DGAEMP C[C@H]1C[C@H]([NH+](C)Cc2ccc(Br)cc2)CC[N@@H+]1C ZINC000123276101 431860406 /nfs/dbraw/zinc/86/04/06/431860406.db2.gz RBUZJBNIIXIQMM-SWLSCSKDSA-N 2 1 311.267 3.364 10 0 DGAEMP C[C@H]1C[C@H]([NH+](C)Cc2ccc(Br)cc2)CC[N@H+]1C ZINC000123276101 431860408 /nfs/dbraw/zinc/86/04/08/431860408.db2.gz RBUZJBNIIXIQMM-SWLSCSKDSA-N 2 1 311.267 3.364 10 0 DGAEMP C[C@H]1C[C@H]([N@H+](C)Cc2ccc(Br)cc2)CC[NH+]1C ZINC000123276101 431860411 /nfs/dbraw/zinc/86/04/11/431860411.db2.gz RBUZJBNIIXIQMM-SWLSCSKDSA-N 2 1 311.267 3.364 10 0 DGAEMP C[C@H]1C[C@H]([N@@H+](C)Cc2ccc(Br)cc2)CC[NH+]1C ZINC000123276101 431860413 /nfs/dbraw/zinc/86/04/13/431860413.db2.gz RBUZJBNIIXIQMM-SWLSCSKDSA-N 2 1 311.267 3.364 10 0 DGAEMP COc1ccccc1C[C@H]1CCC[N@H+]1CC[C@H]1CCC[NH+]1C ZINC000125039598 431912027 /nfs/dbraw/zinc/91/20/27/431912027.db2.gz CMZMLLFRUTXASK-QZTJIDSGSA-N 2 1 302.462 3.186 10 0 DGAEMP COc1ccccc1C[C@H]1CCC[NH+]1CC[C@H]1CCC[N@@H+]1C ZINC000125039598 431912029 /nfs/dbraw/zinc/91/20/29/431912029.db2.gz CMZMLLFRUTXASK-QZTJIDSGSA-N 2 1 302.462 3.186 10 0 DGAEMP C[C@@H](CC[NH+](C)C)[NH2+]Cc1ccc(Br)c(F)c1 ZINC000127430401 431971831 /nfs/dbraw/zinc/97/18/31/431971831.db2.gz CYRDUQDRIPBTMY-JTQLQIEISA-N 2 1 303.219 3.018 10 0 DGAEMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)[C@@H](C)C1 ZINC000248049290 432262679 /nfs/dbraw/zinc/26/26/79/432262679.db2.gz VXCBJHZOAZQEIV-FXAWDEMLSA-N 3 1 315.505 3.102 10 0 DGAEMP CC[N@@H+]1CC[C@@H](NCc2ccc(C[NH+]3CCCC3)cc2)[C@@H](C)C1 ZINC000248049290 432262680 /nfs/dbraw/zinc/26/26/80/432262680.db2.gz VXCBJHZOAZQEIV-FXAWDEMLSA-N 2 1 315.505 3.102 10 0 DGAEMP CC[N@H+]1CC[C@@H](NCc2ccc(C[NH+]3CCCC3)cc2)[C@@H](C)C1 ZINC000248049290 432262682 /nfs/dbraw/zinc/26/26/82/432262682.db2.gz VXCBJHZOAZQEIV-FXAWDEMLSA-N 2 1 315.505 3.102 10 0 DGAEMP CCN1CC[C@@H]([NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)[C@@H](C)C1 ZINC000248049290 432262683 /nfs/dbraw/zinc/26/26/83/432262683.db2.gz VXCBJHZOAZQEIV-FXAWDEMLSA-N 2 1 315.505 3.102 10 0 DGAEMP COc1ccc2c(c1)CCC[C@@H]2C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000249040551 432334682 /nfs/dbraw/zinc/33/46/82/432334682.db2.gz URSVQDIMWZJXCQ-CSNJMZFVSA-N 2 1 314.473 3.330 10 0 DGAEMP Cc1nc(C(F)(F)F)c(C[N@H+]2CCC[C@@H](CC[NH3+])C2)s1 ZINC000262194693 432476487 /nfs/dbraw/zinc/47/64/87/432476487.db2.gz ZEZYEOLZXVDINF-JTQLQIEISA-N 2 1 307.385 3.031 10 0 DGAEMP c1ccc2cc(CC[NH2+][C@@H]3CCC[C@H]3[C@H]3COCC[NH2+]3)ccc2c1 ZINC000261943261 432462261 /nfs/dbraw/zinc/46/22/61/432462261.db2.gz NEHXZWXMYYDMSQ-NJDAHSKKSA-N 2 1 324.468 3.129 10 0 DGAEMP CC(C)C[N@@H+](C[C@@]1(C)CC[NH2+]C1)[C@H]1CCCc2cccnc21 ZINC000261961767 432465112 /nfs/dbraw/zinc/46/51/12/432465112.db2.gz HJRUEQRFEFXMGV-HKUYNNGSSA-N 2 1 301.478 3.417 10 0 DGAEMP CC(C)c1nc([C@@H]2CCCCC[N@H+]2CC2CC[NH2+]CC2)no1 ZINC000261985062 432467854 /nfs/dbraw/zinc/46/78/54/432467854.db2.gz RTWWVNKPPSDYAI-HNNXBMFYSA-N 2 1 306.454 3.110 10 0 DGAEMP Cc1nccnc1[C@H](C)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000275943338 432761670 /nfs/dbraw/zinc/76/16/70/432761670.db2.gz ZIEANYBPSCKDGS-HHXXYDBFSA-N 2 1 324.472 3.346 10 0 DGAEMP Cc1nccnc1[C@H](C)[NH2+][C@@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000275943338 432761675 /nfs/dbraw/zinc/76/16/75/432761675.db2.gz ZIEANYBPSCKDGS-HHXXYDBFSA-N 2 1 324.472 3.346 10 0 DGAEMP C[N@@H+](CCOc1c(Cl)cccc1Cl)[C@H]1CCC[NH2+]CC1 ZINC000231670776 432733392 /nfs/dbraw/zinc/73/33/92/432733392.db2.gz ZJUCWZRJLIOEQT-LBPRGKRZSA-N 2 1 317.260 3.446 10 0 DGAEMP Cc1nn(C)c(C)c1[C@@H]1CCC[N@@H+]1CCCCn1cc[nH+]c1C ZINC000162954934 432839100 /nfs/dbraw/zinc/83/91/00/432839100.db2.gz RQGMMQKNQIZEFF-KRWDZBQOSA-N 2 1 315.465 3.159 10 0 DGAEMP Cc1nn(C)c(C)c1[C@@H]1CCC[N@H+]1CCCCn1cc[nH+]c1C ZINC000162954934 432839104 /nfs/dbraw/zinc/83/91/04/432839104.db2.gz RQGMMQKNQIZEFF-KRWDZBQOSA-N 2 1 315.465 3.159 10 0 DGAEMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(C)c(OC)c(C)c2)[C@@H](C)C1 ZINC000245771533 432862407 /nfs/dbraw/zinc/86/24/07/432862407.db2.gz RWNVLTVTBLEVBF-FUHWJXTLSA-N 2 1 304.478 3.474 10 0 DGAEMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(C)c(OC)c(C)c2)[C@@H](C)C1 ZINC000245771533 432862408 /nfs/dbraw/zinc/86/24/08/432862408.db2.gz RWNVLTVTBLEVBF-FUHWJXTLSA-N 2 1 304.478 3.474 10 0 DGAEMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(C)c(OC)c(C)c2)[C@@H](C)C1 ZINC000245771533 432862411 /nfs/dbraw/zinc/86/24/11/432862411.db2.gz RWNVLTVTBLEVBF-FUHWJXTLSA-N 2 1 304.478 3.474 10 0 DGAEMP O[C@@H](c1ccc(F)cc1)C1CC[NH+](CCC[NH+]2CCCC2)CC1 ZINC000163112392 432843887 /nfs/dbraw/zinc/84/38/87/432843887.db2.gz UEFCPNUICKLXLO-IBGZPJMESA-N 2 1 320.452 3.057 10 0 DGAEMP O[C@H](C[C@H]1CCC[N@H+]1CCC[NH+]1CCCC1)c1ccc(F)cc1 ZINC000163388782 432851153 /nfs/dbraw/zinc/85/11/53/432851153.db2.gz DRBWETZGFKIZIF-RTBURBONSA-N 2 1 320.452 3.200 10 0 DGAEMP CC[N@H+]1CC[C@@H](N(C)CC2=Cc3ccccc3OC2)[C@@H](C)C1 ZINC000245692188 432856306 /nfs/dbraw/zinc/85/63/06/432856306.db2.gz BQNNHOOFBGJIBH-MAUKXSAKSA-N 2 1 300.446 3.125 10 0 DGAEMP CC[N@@H+]1CC[C@@H]([NH+](C)CC2=Cc3ccccc3OC2)[C@@H](C)C1 ZINC000245692188 432856308 /nfs/dbraw/zinc/85/63/08/432856308.db2.gz BQNNHOOFBGJIBH-MAUKXSAKSA-N 2 1 300.446 3.125 10 0 DGAEMP CC[NH+]1CC[C@@H]([N@@H+](C)CC2=Cc3ccccc3OC2)[C@@H](C)C1 ZINC000245692188 432856314 /nfs/dbraw/zinc/85/63/14/432856314.db2.gz BQNNHOOFBGJIBH-MAUKXSAKSA-N 2 1 300.446 3.125 10 0 DGAEMP c1cc(C[NH+]2CCOCC2)ccc1C[NH2+]C1(C2CCC2)CCC1 ZINC000420972685 433362400 /nfs/dbraw/zinc/36/24/00/433362400.db2.gz MHPUMWHVBHCFJA-UHFFFAOYSA-N 2 1 314.473 3.331 10 0 DGAEMP c1nc([C@@H]2CCC[N@H+](CCc3cccnc3)C2)n2c1CCCC2 ZINC000281880772 433414956 /nfs/dbraw/zinc/41/49/56/433414956.db2.gz AHFZDKHFFWPWCR-QGZVFWFLSA-N 2 1 310.445 3.037 10 0 DGAEMP Cc1cc(CC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)on1 ZINC000376058394 433653793 /nfs/dbraw/zinc/65/37/93/433653793.db2.gz PPZNUXSRBJYHRB-DNVCBOLYSA-N 2 1 313.445 3.026 10 0 DGAEMP CCCCc1noc([C@H](C)[N@@H+]2CCCC3(CC[NH+](C)CC3)C2)n1 ZINC000374170904 293361091 /nfs/dbraw/zinc/36/10/91/293361091.db2.gz BHFMLFJSGAMLIL-HNNXBMFYSA-N 2 1 320.481 3.281 10 0 DGAEMP CCCCc1noc([C@H](C)[N@H+]2CCCC3(CC[NH+](C)CC3)C2)n1 ZINC000374170904 293361092 /nfs/dbraw/zinc/36/10/92/293361092.db2.gz BHFMLFJSGAMLIL-HNNXBMFYSA-N 2 1 320.481 3.281 10 0 DGAEMP CC[C@H](O)CCC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000499249063 294082209 /nfs/dbraw/zinc/08/22/09/294082209.db2.gz JASHGHDUERMHCZ-YRPNKDGESA-N 2 1 316.489 3.323 10 0 DGAEMP c1ccc2c(c1)OCCC[C@H]2[NH2+]CCC[NH2+]Cc1cccnc1 ZINC000423190861 434274962 /nfs/dbraw/zinc/27/49/62/434274962.db2.gz RVGZZTRVSUXZPE-GOSISDBHSA-N 2 1 311.429 3.065 10 0 DGAEMP CCC[C@H](C[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)OC ZINC000386509006 434311685 /nfs/dbraw/zinc/31/16/85/434311685.db2.gz WWVJKZVIXQRHEP-MTQWCTHYSA-N 2 1 316.489 3.302 10 0 DGAEMP COC1(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)CCCC1 ZINC000398008966 434451475 /nfs/dbraw/zinc/45/14/75/434451475.db2.gz AKJNJMRITFJJJI-IEBWSBKVSA-N 2 1 316.489 3.446 10 0 DGAEMP CCC(CC)(CO)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000398091946 434456236 /nfs/dbraw/zinc/45/62/36/434456236.db2.gz JOABKGOHWWPOBE-PKOBYXMFSA-N 2 1 318.505 3.285 10 0 DGAEMP COc1cc([C@@H](C)[NH2+]CCc2c[nH+]cn2C)ccc1OC(C)C ZINC000459396570 434577785 /nfs/dbraw/zinc/57/77/85/434577785.db2.gz QGJCCGSCGDGPHG-CQSZACIVSA-N 2 1 317.433 3.109 10 0 DGAEMP c1ncc(CC[N@H+]2CCC[C@H](c3ncc4n3CCCC4)C2)s1 ZINC000411700479 434818579 /nfs/dbraw/zinc/81/85/79/434818579.db2.gz ZVPUSTJNWAGAQS-AWEZNQCLSA-N 2 1 316.474 3.098 10 0 DGAEMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+]CC2=CCOCC2)C3)cc1 ZINC000453284418 434849395 /nfs/dbraw/zinc/84/93/95/434849395.db2.gz INBJYKLSHODIAD-OWZKRDHZSA-N 2 1 312.457 3.118 10 0 DGAEMP c1ccc(C[N@H+]2CC[C@@H]([NH2+]C[C@H]3CCCOC3)CC23CC3)cc1 ZINC000573205997 434880621 /nfs/dbraw/zinc/88/06/21/434880621.db2.gz MUWIZEWRAUNQQF-RTBURBONSA-N 2 1 314.473 3.200 10 0 DGAEMP c1ccc(C[N@@H+]2CC[C@@H]([NH2+]C[C@H]3CCCOC3)CC23CC3)cc1 ZINC000573205997 434880624 /nfs/dbraw/zinc/88/06/24/434880624.db2.gz MUWIZEWRAUNQQF-RTBURBONSA-N 2 1 314.473 3.200 10 0 DGAEMP c1ccc(C[N@H+]2CC[C@H]([NH2+]C[C@H]3CCCOC3)CC23CC3)cc1 ZINC000573205994 434881127 /nfs/dbraw/zinc/88/11/27/434881127.db2.gz MUWIZEWRAUNQQF-MOPGFXCFSA-N 2 1 314.473 3.200 10 0 DGAEMP c1ccc(C[N@@H+]2CC[C@H]([NH2+]C[C@H]3CCCOC3)CC23CC3)cc1 ZINC000573205994 434881131 /nfs/dbraw/zinc/88/11/31/434881131.db2.gz MUWIZEWRAUNQQF-MOPGFXCFSA-N 2 1 314.473 3.200 10 0 DGAEMP C[N@H+]1CCCC[C@@H]1CCN1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000472729022 435140777 /nfs/dbraw/zinc/14/07/77/435140777.db2.gz PWMDUYPNNJKSRU-WOJBJXKFSA-N 2 1 321.553 3.449 10 0 DGAEMP c1nc2ccccc2n1-c1ccc(C[NH2+]CCC[NH+]2CCC2)cc1 ZINC000579859549 435188546 /nfs/dbraw/zinc/18/85/46/435188546.db2.gz WVBKJNASWXXYSV-UHFFFAOYSA-N 2 1 320.440 3.211 10 0 DGAEMP c1cn(-c2csc(C[NH2+]Cc3noc4c3CCCC4)c2)cn1 ZINC000567956837 435376262 /nfs/dbraw/zinc/37/62/62/435376262.db2.gz ABKISJFLBMOCJK-UHFFFAOYSA-N 2 1 314.414 3.090 10 0 DGAEMP c1cncc(-c2cccc(C[N@H+]3CC[C@]4(C3)CCC[NH2+]C4)c2)c1 ZINC000569693181 435552941 /nfs/dbraw/zinc/55/29/41/435552941.db2.gz AVLVAQVVLQFTBM-HXUWFJFHSA-N 2 1 307.441 3.324 10 0 DGAEMP CCC[N@@H+](CC)CCN[C@H]1CC[NH+](Cc2ccccc2)C[C@@H]1C ZINC000484472057 435545639 /nfs/dbraw/zinc/54/56/39/435545639.db2.gz JPMNKJMZXBTDQY-ICSRJNTNSA-N 2 1 317.521 3.219 10 0 DGAEMP CCC[NH+](CC)CCN[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000484472057 435545644 /nfs/dbraw/zinc/54/56/44/435545644.db2.gz JPMNKJMZXBTDQY-ICSRJNTNSA-N 2 1 317.521 3.219 10 0 DGAEMP CCC[NH+](CC)CCN[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000484472057 435545648 /nfs/dbraw/zinc/54/56/48/435545648.db2.gz JPMNKJMZXBTDQY-ICSRJNTNSA-N 2 1 317.521 3.219 10 0 DGAEMP CC1=CC[N@@H+](CCNC2CC[NH+](C3CCCCC3)CC2)CC1 ZINC000545167211 314229578 /nfs/dbraw/zinc/22/95/78/314229578.db2.gz SYJOWNDJIRNFCK-UHFFFAOYSA-N 2 1 305.510 3.025 10 0 DGAEMP CC1=CCN(CC[NH2+]C2CC[NH+](C3CCCCC3)CC2)CC1 ZINC000545167211 314229581 /nfs/dbraw/zinc/22/95/81/314229581.db2.gz SYJOWNDJIRNFCK-UHFFFAOYSA-N 2 1 305.510 3.025 10 0 DGAEMP C[C@H]1C[C@@H]([NH2+]CCOCC2CCC2)CC[N@@H+]1Cc1ccccc1 ZINC000583726900 324389123 /nfs/dbraw/zinc/38/91/23/324389123.db2.gz IKFYIZBSAJZKMP-PXNSSMCTSA-N 2 1 316.489 3.446 10 0 DGAEMP C[C@H]1C[C@@H]([NH2+]CCOCC2CCC2)CC[N@H+]1Cc1ccccc1 ZINC000583726900 324389125 /nfs/dbraw/zinc/38/91/25/324389125.db2.gz IKFYIZBSAJZKMP-PXNSSMCTSA-N 2 1 316.489 3.446 10 0 DGAEMP Brc1cccc(C[N@@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)c1 ZINC000415054584 526645643 /nfs/dbraw/zinc/64/56/43/526645643.db2.gz QABOXMFKDUUDGE-HOCLYGCPSA-N 2 1 323.278 3.413 10 0 DGAEMP Brc1cccc(C[N@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)c1 ZINC000415054584 526645647 /nfs/dbraw/zinc/64/56/47/526645647.db2.gz QABOXMFKDUUDGE-HOCLYGCPSA-N 2 1 323.278 3.413 10 0 DGAEMP C(CC1CCCCCC1)[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000415046674 527476949 /nfs/dbraw/zinc/47/69/49/527476949.db2.gz DCHTYLNDGRCOHT-UHFFFAOYSA-N 2 1 307.526 3.153 10 0 DGAEMP CC[C@H](C)C[N@@H+](C)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000120486342 621896266 /nfs/dbraw/zinc/89/62/66/621896266.db2.gz DIMGIEXHJJXGNV-PXNSSMCTSA-N 2 1 318.505 3.410 10 0 DGAEMP Cc1[nH+]cc(CN2CC[C@]3(C2)CCC[N@H+](CC(C)(C)C)C3)n1C ZINC000011935531 660487678 /nfs/dbraw/zinc/48/76/78/660487678.db2.gz LTTXMKMACATRTN-IBGZPJMESA-N 2 1 318.509 3.063 10 0 DGAEMP Cc1[nH+]cc(CN2CC[C@]3(C2)CCC[N@@H+](CC(C)(C)C)C3)n1C ZINC000011935531 660487680 /nfs/dbraw/zinc/48/76/80/660487680.db2.gz LTTXMKMACATRTN-IBGZPJMESA-N 2 1 318.509 3.063 10 0 DGAEMP C[C@H]([NH2+]C1CCC(C)(O)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000703008637 660754873 /nfs/dbraw/zinc/75/48/73/660754873.db2.gz GHAZMIOWRSICRD-YUKKFIBKSA-N 2 1 316.489 3.180 10 0 DGAEMP CC1(O)CCC([NH2+]C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000703012711 660755135 /nfs/dbraw/zinc/75/51/35/660755135.db2.gz WHOJHVMJOUCXRM-XEVCZEQESA-N 2 1 316.489 3.182 10 0 DGAEMP COC[C@H]([NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2)C(C)C ZINC000716620031 661225123 /nfs/dbraw/zinc/22/51/23/661225123.db2.gz KKKCLGCPCQWEMR-MUGJNUQGSA-N 2 1 316.489 3.300 10 0 DGAEMP COC(C)(C)CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716620406 661225205 /nfs/dbraw/zinc/22/52/05/661225205.db2.gz MTLVQGCJTMVMRQ-FHWLQOOXSA-N 2 1 316.489 3.444 10 0 DGAEMP C[C@@H]1CSC[C@H]1[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716671659 661225954 /nfs/dbraw/zinc/22/59/54/661225954.db2.gz HKWINKYCTZXHBE-VINWQNLFSA-N 2 1 316.514 3.381 10 0 DGAEMP CO[C@@H](C)CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716670708 661226289 /nfs/dbraw/zinc/22/62/89/661226289.db2.gz DBEBDSKXDALESC-KANFNMMFSA-N 2 1 302.462 3.054 10 0 DGAEMP Cc1nocc1C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716677466 661226688 /nfs/dbraw/zinc/22/66/88/661226688.db2.gz FKFNAZKYQXSQEX-UHOSZYNNSA-N 2 1 311.429 3.126 10 0 DGAEMP Cc1nocc1C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716677466 661226691 /nfs/dbraw/zinc/22/66/91/661226691.db2.gz FKFNAZKYQXSQEX-UHOSZYNNSA-N 2 1 311.429 3.126 10 0 DGAEMP CC[C@H]([NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2)C(C)(C)O ZINC000716703077 661227630 /nfs/dbraw/zinc/22/76/30/661227630.db2.gz WZKVZLKBSLBGQJ-RDGPPVDQSA-N 2 1 316.489 3.179 10 0 DGAEMP OCC[C@@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)C1CCCC1 ZINC000725116703 656531427 /nfs/dbraw/zinc/53/14/27/656531427.db2.gz XBZUEQXWTFCOOP-HXUWFJFHSA-N 2 1 316.489 3.182 10 0 DGAEMP CC(C)C[N@@H+](CC1CC[NH2+]CC1)[C@@H]1CCCc2cccnc21 ZINC000261941750 657225729 /nfs/dbraw/zinc/22/57/29/657225729.db2.gz MTJIYZQOTHUOQR-GOSISDBHSA-N 2 1 301.478 3.417 10 0 DGAEMP C[C@@H]1C[N@H+](CC2CC[NH+](CCc3cccs3)CC2)C[C@H](C)O1 ZINC000069016723 659972681 /nfs/dbraw/zinc/97/26/81/659972681.db2.gz OIFZXFKIZFODRN-IYBDPMFKSA-N 2 1 322.518 3.112 10 0 DGAEMP CO[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000718737251 662261097 /nfs/dbraw/zinc/26/10/97/662261097.db2.gz ISVOYORERLWEMZ-SLFFLAALSA-N 2 1 316.489 3.446 10 0 DGAEMP CO[C@@H]1CCC[C@H]1[NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000390889329 685207298 /nfs/dbraw/zinc/20/72/98/685207298.db2.gz ZXNAVWACODZHOZ-QRVBRYPASA-N 2 1 316.489 3.444 10 0 DGAEMP CO[C@@H]1CCC[C@H]1[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000390889329 685207301 /nfs/dbraw/zinc/20/73/01/685207301.db2.gz ZXNAVWACODZHOZ-QRVBRYPASA-N 2 1 316.489 3.444 10 0 DGAEMP Cc1nn(C)c(C)c1C[NH2+]CC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000080206437 1197046148 /nfs/dbraw/zinc/04/61/48/1197046148.db2.gz VELPXWYEBIGYQT-HNNXBMFYSA-N 2 1 314.477 3.037 10 0 DGAEMP Cc1nn(C)c(C)c1C[NH2+]CC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000080206437 1197046153 /nfs/dbraw/zinc/04/61/53/1197046153.db2.gz VELPXWYEBIGYQT-HNNXBMFYSA-N 2 1 314.477 3.037 10 0 DGAEMP C=CC[NH+]1CCC(N[C@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)CC1 ZINC000088716126 1197769708 /nfs/dbraw/zinc/76/97/08/1197769708.db2.gz YRCXJLWWIAVBQI-PXNSSMCTSA-N 2 1 313.489 3.062 10 0 DGAEMP C=CC[NH+]1CCC(N[C@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)CC1 ZINC000088716126 1197769712 /nfs/dbraw/zinc/76/97/12/1197769712.db2.gz YRCXJLWWIAVBQI-PXNSSMCTSA-N 2 1 313.489 3.062 10 0 DGAEMP c1ncc(C[NH2+]Cc2ccccc2C[NH+]2CCCCC2)s1 ZINC000135832791 1201205557 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C[C@@H]1CCC[C@@H](CC[N@@H+]2CCCC[C@H](N3CC[NH+](C)CC3)C2)C1 ZINC000182900646 432240526 /nfs/dbraw/zinc/24/05/26/432240526.db2.gz NHWHIAPPZZTKOU-AABGKKOBSA-N 2 1 321.553 3.305 10 0 DGAEMP C[C@@H]1CCC[C@@H](CC[N@H+]2CCCC[C@H](N3CC[NH+](C)CC3)C2)C1 ZINC000182900646 432240530 /nfs/dbraw/zinc/24/05/30/432240530.db2.gz NHWHIAPPZZTKOU-AABGKKOBSA-N 2 1 321.553 3.305 10 0 DGAEMP Cc1ccccc1[C@H](C)[N@@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000182909556 432241549 /nfs/dbraw/zinc/24/15/49/432241549.db2.gz YZQJHUJZPTTZCU-OALUTQOASA-N 2 1 315.505 3.158 10 0 DGAEMP Cc1ccccc1[C@H](C)[N@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000182909556 432241552 /nfs/dbraw/zinc/24/15/52/432241552.db2.gz YZQJHUJZPTTZCU-OALUTQOASA-N 2 1 315.505 3.158 10 0 DGAEMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)[C@H](C)c2cccc(Cl)c2)CC1 ZINC000247574876 432243101 /nfs/dbraw/zinc/24/31/01/432243101.db2.gz HQRPAYAQKOCEHY-HUUCEWRRSA-N 2 1 324.896 3.426 10 0 DGAEMP C[C@H]1CC(CC[N@@H+](C)CCCN2CC[NH+](C)CC2)C[C@H](C)C1 ZINC000182950117 432245239 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DGAEMP c1ccc2cc(OCC[N@@H+]3CCC[C@]4(CC[NH2+]C4)C3)ccc2c1 ZINC000420364041 275071894 /nfs/dbraw/zinc/07/18/94/275071894.db2.gz IFWRKNAZDHWOGE-HXUWFJFHSA-N 2 1 310.441 3.294 10 0 DGAEMP c1ccc2cc(OCC[N@H+]3CCC[C@]4(CC[NH2+]C4)C3)ccc2c1 ZINC000420364041 275071895 /nfs/dbraw/zinc/07/18/95/275071895.db2.gz IFWRKNAZDHWOGE-HXUWFJFHSA-N 2 1 310.441 3.294 10 0 DGAEMP COc1ccc([C@H]2C[C@H](C)[N@@H+](CCC[NH+]3CCCC3)C2)cc1 ZINC000118998503 431632607 /nfs/dbraw/zinc/63/26/07/431632607.db2.gz HUMQMTSMXOKANL-WMZOPIPTSA-N 2 1 302.462 3.359 10 0 DGAEMP CC[N@H+]1CC[C@@H]([NH+](C)CCCOc2ccc(OC)cc2)[C@H](C)C1 ZINC000081096900 431782086 /nfs/dbraw/zinc/78/20/86/431782086.db2.gz XKPUABJVBTZTLF-VQIMIIECSA-N 2 1 320.477 3.126 10 0 DGAEMP CC[NH+]1CC[C@@H]([N@H+](C)CCCOc2ccc(OC)cc2)[C@H](C)C1 ZINC000081096900 431782094 /nfs/dbraw/zinc/78/20/94/431782094.db2.gz XKPUABJVBTZTLF-VQIMIIECSA-N 2 1 320.477 3.126 10 0 DGAEMP CC[N@H+]1CC[C@H](N(C)Cc2cnn(-c3ccccc3)c2)[C@H](C)C1 ZINC000081095495 431782801 /nfs/dbraw/zinc/78/28/01/431782801.db2.gz BICOHTAYAVGPNZ-APWZRJJASA-N 2 1 312.461 3.034 10 0 DGAEMP Cc1ccc(Cl)cc1NC(=O)CN(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000123078404 431854387 /nfs/dbraw/zinc/85/43/87/431854387.db2.gz FTZYIOKZBZQHEX-UKRRQHHQSA-N 2 1 323.868 3.001 10 0 DGAEMP C[C@@H]1CCC[C@@H](CC[NH+]2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)C1 ZINC000089126120 431860504 /nfs/dbraw/zinc/86/05/04/431860504.db2.gz JJZMNZULLRGTNZ-AABGKKOBSA-N 2 1 321.553 3.305 10 0 DGAEMP C[C@@H]1C[C@@H]([NH+](C)Cc2ccc(Br)cc2)CC[N@@H+]1C ZINC000123276315 431861076 /nfs/dbraw/zinc/86/10/76/431861076.db2.gz RBUZJBNIIXIQMM-DOMZBBRYSA-N 2 1 311.267 3.364 10 0 DGAEMP C[C@@H]1C[C@@H]([NH+](C)Cc2ccc(Br)cc2)CC[N@H+]1C ZINC000123276315 431861078 /nfs/dbraw/zinc/86/10/78/431861078.db2.gz RBUZJBNIIXIQMM-DOMZBBRYSA-N 2 1 311.267 3.364 10 0 DGAEMP C[C@@H]1C[C@@H]([N@H+](C)Cc2ccc(Br)cc2)CC[NH+]1C ZINC000123276315 431861080 /nfs/dbraw/zinc/86/10/80/431861080.db2.gz RBUZJBNIIXIQMM-DOMZBBRYSA-N 2 1 311.267 3.364 10 0 DGAEMP C[C@@H]1C[C@@H]([N@@H+](C)Cc2ccc(Br)cc2)CC[NH+]1C ZINC000123276315 431861081 /nfs/dbraw/zinc/86/10/81/431861081.db2.gz RBUZJBNIIXIQMM-DOMZBBRYSA-N 2 1 311.267 3.364 10 0 DGAEMP COc1ccc([C@@H]2C[C@H](C)[N@@H+](CC[C@@H]3CCC[NH+]3C)C2)cc1 ZINC000089428462 431865449 /nfs/dbraw/zinc/86/54/49/431865449.db2.gz LQUVQBDPORZHAH-JQHSSLGASA-N 2 1 302.462 3.357 10 0 DGAEMP COc1ccc([C@@H]2C[C@H](C)[NH+](CC[C@@H]3CCC[N@@H+]3C)C2)cc1 ZINC000089428462 431865451 /nfs/dbraw/zinc/86/54/51/431865451.db2.gz LQUVQBDPORZHAH-JQHSSLGASA-N 2 1 302.462 3.357 10 0 DGAEMP COc1ccc([C@@H]2C[C@H](C)[NH+](CC[C@@H]3CCC[N@H+]3C)C2)cc1 ZINC000089428462 431865454 /nfs/dbraw/zinc/86/54/54/431865454.db2.gz LQUVQBDPORZHAH-JQHSSLGASA-N 2 1 302.462 3.357 10 0 DGAEMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccccc2-n2ccc(C)n2)[C@H](C)C1 ZINC000127591206 431975847 /nfs/dbraw/zinc/97/58/47/431975847.db2.gz UBQNKCCCXFBUNP-CRAIPNDOSA-N 2 1 312.461 3.001 10 0 DGAEMP Cc1cccc(NC[C@@H]2CC[N@H+](C[C@@H]3CCC(C)(C)O3)C2)[nH+]1 ZINC000187066154 281245378 /nfs/dbraw/zinc/24/53/78/281245378.db2.gz IWUPKXPVKOKLIF-HOTGVXAUSA-N 2 1 303.450 3.081 10 0 DGAEMP Cc1cccc(NC[C@@H]2CC[N@@H+](C[C@@H]3CCC(C)(C)O3)C2)[nH+]1 ZINC000187066154 281245379 /nfs/dbraw/zinc/24/53/79/281245379.db2.gz IWUPKXPVKOKLIF-HOTGVXAUSA-N 2 1 303.450 3.081 10 0 DGAEMP Cc1cccc(NC[C@@H]2CC[N@H+](C[C@H]3CCC(C)(C)O3)C2)[nH+]1 ZINC000248552025 281246072 /nfs/dbraw/zinc/24/60/72/281246072.db2.gz IWUPKXPVKOKLIF-JKSUJKDBSA-N 2 1 303.450 3.081 10 0 DGAEMP Cc1cccc(NC[C@@H]2CC[N@@H+](C[C@H]3CCC(C)(C)O3)C2)[nH+]1 ZINC000248552025 281246074 /nfs/dbraw/zinc/24/60/74/281246074.db2.gz IWUPKXPVKOKLIF-JKSUJKDBSA-N 2 1 303.450 3.081 10 0 DGAEMP C[N@H+]1CCC[C@H]2C[NH+](CCCOCc3ccccc3)CC[C@H]21 ZINC000248576872 432303602 /nfs/dbraw/zinc/30/36/02/432303602.db2.gz NQEGDKJEBWYYJG-RBUKOAKNSA-N 2 1 302.462 3.009 10 0 DGAEMP C[NH+]1CCC[C@H]2C[N@H+](CCCOCc3ccccc3)CC[C@H]21 ZINC000248576872 432303607 /nfs/dbraw/zinc/30/36/07/432303607.db2.gz NQEGDKJEBWYYJG-RBUKOAKNSA-N 2 1 302.462 3.009 10 0 DGAEMP C[NH+]1CCC[C@H]2C[N@@H+](CCCOCc3ccccc3)CC[C@H]21 ZINC000248576872 432303611 /nfs/dbraw/zinc/30/36/11/432303611.db2.gz NQEGDKJEBWYYJG-RBUKOAKNSA-N 2 1 302.462 3.009 10 0 DGAEMP Cc1cccc(NC[C@H]2CC[N@H+](C[C@H]3CCC(C)(C)O3)C2)[nH+]1 ZINC000248552021 432299526 /nfs/dbraw/zinc/29/95/26/432299526.db2.gz IWUPKXPVKOKLIF-HZPDHXFCSA-N 2 1 303.450 3.081 10 0 DGAEMP Cc1cccc(NC[C@H]2CC[N@@H+](C[C@H]3CCC(C)(C)O3)C2)[nH+]1 ZINC000248552021 432299529 /nfs/dbraw/zinc/29/95/29/432299529.db2.gz IWUPKXPVKOKLIF-HZPDHXFCSA-N 2 1 303.450 3.081 10 0 DGAEMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCC=CO2)CC[N@@H+]1Cc1ccccc1 ZINC000249191241 432341881 /nfs/dbraw/zinc/34/18/81/432341881.db2.gz OIBYGRFJDPLJKB-NZSAHSFTSA-N 2 1 300.446 3.322 10 0 DGAEMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCC=CO2)CC[N@H+]1Cc1ccccc1 ZINC000249191241 432341884 /nfs/dbraw/zinc/34/18/84/432341884.db2.gz OIBYGRFJDPLJKB-NZSAHSFTSA-N 2 1 300.446 3.322 10 0 DGAEMP C[C@H]1COCC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000249247822 432342577 /nfs/dbraw/zinc/34/25/77/432342577.db2.gz FLAMNLOQPLOLDL-VNVJMFPYSA-N 2 1 314.473 3.197 10 0 DGAEMP CCCC[C@H](CC)C[N@@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000183640805 432310964 /nfs/dbraw/zinc/31/09/64/432310964.db2.gz PMELJYOIOSTPPL-OALUTQOASA-N 2 1 309.542 3.305 10 0 DGAEMP CCCC[C@H](CC)C[N@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000183640805 432310969 /nfs/dbraw/zinc/31/09/69/432310969.db2.gz PMELJYOIOSTPPL-OALUTQOASA-N 2 1 309.542 3.305 10 0 DGAEMP CCCC[C@H](CC)C[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000183644343 432312535 /nfs/dbraw/zinc/31/25/35/432312535.db2.gz CRXAYDKKGZTGSH-GURQWTFNSA-N 2 1 321.553 3.446 10 0 DGAEMP CCC[N@@H+](C)C[C@H]1CCN(Cc2nc(C)c3ccccc3n2)C1 ZINC000174949174 432382415 /nfs/dbraw/zinc/38/24/15/432382415.db2.gz FQIQFDOMDCOSLQ-MRXNPFEDSA-N 2 1 312.461 3.102 10 0 DGAEMP CCOc1ccc(OCC[N@@H+](C)[C@H]2CC[NH+](CC)C[C@H]2C)cc1 ZINC000174781930 432370083 /nfs/dbraw/zinc/37/00/83/432370083.db2.gz YKAYGJNABXNCDF-APWZRJJASA-N 2 1 320.477 3.126 10 0 DGAEMP CCOc1ccc(OCC[NH+](C)[C@H]2CC[N@H+](CC)C[C@H]2C)cc1 ZINC000174781930 432370087 /nfs/dbraw/zinc/37/00/87/432370087.db2.gz YKAYGJNABXNCDF-APWZRJJASA-N 2 1 320.477 3.126 10 0 DGAEMP CCOc1ccc(OCC[NH+](C)[C@H]2CC[N@@H+](CC)C[C@H]2C)cc1 ZINC000174781930 432370090 /nfs/dbraw/zinc/37/00/90/432370090.db2.gz YKAYGJNABXNCDF-APWZRJJASA-N 2 1 320.477 3.126 10 0 DGAEMP [NH3+]C1CCC([NH2+]C[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000261540819 432431468 /nfs/dbraw/zinc/43/14/68/432431468.db2.gz FHIHWXMYNXIAIN-XEVCZEQESA-N 3 1 315.505 3.148 10 0 DGAEMP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3coc(-c4ccc(F)cc4)n3)C[C@@H]21 ZINC000261626165 432434199 /nfs/dbraw/zinc/43/41/99/432434199.db2.gz COWWCXQASFLYRT-RRQGHBQHSA-N 2 1 315.392 3.040 10 0 DGAEMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3coc(-c4ccc(F)cc4)n3)C[C@@H]21 ZINC000261626165 432434203 /nfs/dbraw/zinc/43/42/03/432434203.db2.gz COWWCXQASFLYRT-RRQGHBQHSA-N 2 1 315.392 3.040 10 0 DGAEMP c1cc(C[N@H+](CC2CCOCC2)[C@@H]2CC23CC[NH2+]CC3)cs1 ZINC000261613096 432434732 /nfs/dbraw/zinc/43/47/32/432434732.db2.gz GDCULLLJSGEPNV-QGZVFWFLSA-N 2 1 320.502 3.119 10 0 DGAEMP C[C@H](NC[C@@H]1CCC[N@@H+]1C)c1ccc(F)cc1OC(F)F ZINC000154635214 432510944 /nfs/dbraw/zinc/51/09/44/432510944.db2.gz YRDAVNBTDGVMAN-JQWIXIFHSA-N 2 1 302.340 3.172 10 0 DGAEMP C[C@H](NC[C@@H]1CCC[N@H+]1C)c1ccc(F)cc1OC(F)F ZINC000154635214 432510947 /nfs/dbraw/zinc/51/09/47/432510947.db2.gz YRDAVNBTDGVMAN-JQWIXIFHSA-N 2 1 302.340 3.172 10 0 DGAEMP CCN(C[C@]1(C)CC[NH2+]C1)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000261913203 432460201 /nfs/dbraw/zinc/46/02/01/432460201.db2.gz YVLJVAPGFHWQBO-YSIASYRMSA-N 2 1 315.505 3.143 10 0 DGAEMP c1ccc2cc(CC[NH2+][C@@H]3CCC[C@@H]3[C@@H]3COCC[NH2+]3)ccc2c1 ZINC000261943259 432462573 /nfs/dbraw/zinc/46/25/73/432462573.db2.gz NEHXZWXMYYDMSQ-HBMCJLEFSA-N 2 1 324.468 3.129 10 0 DGAEMP [NH3+][C@@H]1CCC[C@H]2CN(c3cc[nH+]c4cc(Cl)ccc43)C[C@@H]21 ZINC000230133964 432724108 /nfs/dbraw/zinc/72/41/08/432724108.db2.gz LQBWOEAAAHEFCO-TUKIKUTGSA-N 2 1 301.821 3.452 10 0 DGAEMP COc1ccc([C@@H]2CCC[N@@H+]2CCC[NH+]2CCCC2)cc1OC ZINC000162729782 432832334 /nfs/dbraw/zinc/83/23/34/432832334.db2.gz WUYPLNKNKKBVSF-KRWDZBQOSA-N 2 1 318.461 3.327 10 0 DGAEMP COc1ccc([C@@H]2CCC[N@H+]2CCC[NH+]2CCCC2)cc1OC ZINC000162729782 432832336 /nfs/dbraw/zinc/83/23/36/432832336.db2.gz WUYPLNKNKKBVSF-KRWDZBQOSA-N 2 1 318.461 3.327 10 0 DGAEMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(CCC[NH+]2CCCC2)C1 ZINC000161873088 432801678 /nfs/dbraw/zinc/80/16/78/432801678.db2.gz PANKHSHIWKOTOF-RBUKOAKNSA-N 3 1 307.526 3.059 10 0 DGAEMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC(Oc2ccc(F)cc2)CC1 ZINC000161922680 432804422 /nfs/dbraw/zinc/80/44/22/432804422.db2.gz ZSLGYGOVXPKBMM-INIZCTEOSA-N 2 1 306.425 3.153 10 0 DGAEMP Cc1cccnc1CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000296234171 432886681 /nfs/dbraw/zinc/88/66/81/432886681.db2.gz CGMKBUOMGYTFPS-GHTZIAJQSA-N 2 1 323.484 3.433 10 0 DGAEMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@@H]1CCCC[C@H]1O ZINC000453368869 433125632 /nfs/dbraw/zinc/12/56/32/433125632.db2.gz MSFVDWLQOADVFS-IJXRJRJASA-N 2 1 316.489 3.038 10 0 DGAEMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@H]1CCCC[C@@H]1O ZINC000453351874 433112329 /nfs/dbraw/zinc/11/23/29/433112329.db2.gz MSFVDWLQOADVFS-NBYUQASBSA-N 2 1 316.489 3.038 10 0 DGAEMP C[C@@H]1CC[C@H](C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)O1 ZINC000453410399 433164744 /nfs/dbraw/zinc/16/47/44/433164744.db2.gz PJHHWVHGDFEGAB-XIKSMUEASA-N 2 1 314.473 3.339 10 0 DGAEMP c1cn(-c2csc(C[N@@H+]3CCOC[C@H]3CC3CCC3)c2)cn1 ZINC000354733332 433244511 /nfs/dbraw/zinc/24/45/11/433244511.db2.gz PJNGLFKNPMWMHL-OAHLLOKOSA-N 2 1 317.458 3.325 10 0 DGAEMP c1cn(-c2csc(CN3CCOC[C@H]3CC3CCC3)c2)cn1 ZINC000354733332 433244524 /nfs/dbraw/zinc/24/45/24/433244524.db2.gz PJNGLFKNPMWMHL-OAHLLOKOSA-N 2 1 317.458 3.325 10 0 DGAEMP c1cc(C[N@H+]2CC[C@]23CCOC3)cc(C[NH+]2CCCCC2)c1 ZINC000421022202 433390929 /nfs/dbraw/zinc/39/09/29/433390929.db2.gz PXXZBNMWTJNMBS-LJQANCHMSA-N 2 1 300.446 3.037 10 0 DGAEMP c1ccc2c(c1)CO[C@]21CCC[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC000375253173 433397748 /nfs/dbraw/zinc/39/77/48/433397748.db2.gz REMAHYAFBWNBCQ-FQEVSTJZSA-N 2 1 314.473 3.384 10 0 DGAEMP c1ccc2c(c1)CO[C@]21CCC[N@H+](CCC[NH+]2CCCCC2)C1 ZINC000375253173 433397754 /nfs/dbraw/zinc/39/77/54/433397754.db2.gz REMAHYAFBWNBCQ-FQEVSTJZSA-N 2 1 314.473 3.384 10 0 DGAEMP C[C@@H]1CSC[C@@H]1[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000309750632 434098123 /nfs/dbraw/zinc/09/81/23/434098123.db2.gz ZFBYRHJFBYQJAV-WRNCNIFXSA-N 2 1 316.514 3.238 10 0 DGAEMP C[C@@H]1C[C@@H]([NH2+][C@H]2COCC2(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000313130040 434122896 /nfs/dbraw/zinc/12/28/96/434122896.db2.gz YAZIGRIPSSCVBH-NJAFHUGGSA-N 2 1 302.462 3.054 10 0 DGAEMP C[C@@H]1C[C@@H]([NH2+][C@H]2COCC2(C)C)CC[N@H+]1Cc1ccccc1 ZINC000313130040 434122901 /nfs/dbraw/zinc/12/29/01/434122901.db2.gz YAZIGRIPSSCVBH-NJAFHUGGSA-N 2 1 302.462 3.054 10 0 DGAEMP Nc1ccc(N[C@@H]2CCC[N@H+](Cc3cccs3)CC2)c[nH+]1 ZINC000328655247 434297100 /nfs/dbraw/zinc/29/71/00/434297100.db2.gz YFOBKPYWIWZTNO-CYBMUJFWSA-N 2 1 302.447 3.192 10 0 DGAEMP Nc1ccc(N[C@@H]2CCC[N@@H+](Cc3cccs3)CC2)c[nH+]1 ZINC000328655247 434297106 /nfs/dbraw/zinc/29/71/06/434297106.db2.gz YFOBKPYWIWZTNO-CYBMUJFWSA-N 2 1 302.447 3.192 10 0 DGAEMP C[C@H](CC(C)(C)O)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000390699212 434364437 /nfs/dbraw/zinc/36/44/37/434364437.db2.gz SOLOWNZFPKKAKC-BPIHKTFHSA-N 2 1 316.489 3.321 10 0 DGAEMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCC[C@H]1CCOC1 ZINC000400516276 434485779 /nfs/dbraw/zinc/48/57/79/434485779.db2.gz BZTRSZSFRFCWIX-YZGWKJHDSA-N 2 1 316.489 3.303 10 0 DGAEMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCC[C@H]1CCOC1 ZINC000400516276 434485795 /nfs/dbraw/zinc/48/57/95/434485795.db2.gz BZTRSZSFRFCWIX-YZGWKJHDSA-N 2 1 316.489 3.303 10 0 DGAEMP c1cc(C[NH+]2CCOCC2)ccc1C[NH2+][C@@H](C1CC1)C1CCC1 ZINC000453097596 434799438 /nfs/dbraw/zinc/79/94/38/434799438.db2.gz UOIBGDXGSAPKQF-HXUWFJFHSA-N 2 1 314.473 3.187 10 0 DGAEMP CC(C)[C@@H](CO)C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000567773070 435354435 /nfs/dbraw/zinc/35/44/35/435354435.db2.gz AQZBVILJUYRWCW-YSTOQKLRSA-N 2 1 316.489 3.036 10 0 DGAEMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CC[C@H](CO)CC1 ZINC000484500180 435545253 /nfs/dbraw/zinc/54/52/53/435545253.db2.gz HOOWNPQGTCMDDM-AFYVEPGGSA-N 2 1 316.489 3.038 10 0 DGAEMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CC[C@H](CO)CC1 ZINC000484500180 435545256 /nfs/dbraw/zinc/54/52/56/435545256.db2.gz HOOWNPQGTCMDDM-AFYVEPGGSA-N 2 1 316.489 3.038 10 0 DGAEMP c1ccc(C[N@H+]2CC[C@H]([NH2+]Cc3cccnc3)CC23CC3)cc1 ZINC000569603981 435546512 /nfs/dbraw/zinc/54/65/12/435546512.db2.gz HBFJMZARLCCRIZ-IBGZPJMESA-N 2 1 307.441 3.368 10 0 DGAEMP c1ccc(C[N@@H+]2CC[C@H]([NH2+]Cc3cccnc3)CC23CC3)cc1 ZINC000569603981 435546514 /nfs/dbraw/zinc/54/65/14/435546514.db2.gz HBFJMZARLCCRIZ-IBGZPJMESA-N 2 1 307.441 3.368 10 0 DGAEMP CO[C@@H](C)[C@@H](C)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000519484742 435683938 /nfs/dbraw/zinc/68/39/38/435683938.db2.gz ZAHWOGQPEXNPIF-CGHHPOIWSA-N 2 1 302.462 3.195 10 0 DGAEMP Cc1ncc(CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)n1C ZINC000563440925 315115697 /nfs/dbraw/zinc/11/56/97/315115697.db2.gz UCLWCCFPHGKHLH-YQQQUEKLSA-N 2 1 324.472 3.014 10 0 DGAEMP Cc1ncc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)n1C ZINC000563440925 315115699 /nfs/dbraw/zinc/11/56/99/315115699.db2.gz UCLWCCFPHGKHLH-YQQQUEKLSA-N 3 1 324.472 3.014 10 0 DGAEMP Cc1ncc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)n1C ZINC000563440925 315115700 /nfs/dbraw/zinc/11/57/00/315115700.db2.gz UCLWCCFPHGKHLH-YQQQUEKLSA-N 3 1 324.472 3.014 10 0 DGAEMP c1ccc(C[N@@H+]2CC[C@H]([NH2+][C@H]3CCSC3)CC23CC3)cc1 ZINC000566215452 315322913 /nfs/dbraw/zinc/32/29/13/315322913.db2.gz DUJVGPIYSXURCN-IRXDYDNUSA-N 2 1 302.487 3.279 10 0 DGAEMP c1ccc(C[N@H+]2CC[C@H]([NH2+][C@H]3CCSC3)CC23CC3)cc1 ZINC000566215452 315322915 /nfs/dbraw/zinc/32/29/15/315322915.db2.gz DUJVGPIYSXURCN-IRXDYDNUSA-N 2 1 302.487 3.279 10 0 DGAEMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccccc1CO ZINC000574857414 316007417 /nfs/dbraw/zinc/00/74/17/316007417.db2.gz KHCHHDGCEAVKSA-LAUBAEHRSA-N 2 1 324.468 3.179 10 0 DGAEMP CC[N@@H+](CCO)CCCNc1cc(C)[nH+]c2cc(Cl)ccc12 ZINC000584602978 337371190 /nfs/dbraw/zinc/37/11/90/337371190.db2.gz HUTOKXIMFTUHDI-UHFFFAOYSA-N 2 1 321.852 3.313 10 0 DGAEMP Cc1ccncc1C[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000310497462 534417328 /nfs/dbraw/zinc/41/73/28/534417328.db2.gz IONSKDFULSSZNS-HMXCVIKNSA-N 2 1 321.468 3.390 10 0 DGAEMP Cc1ccncc1C[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000310497460 534419415 /nfs/dbraw/zinc/41/94/15/534419415.db2.gz IONSKDFULSSZNS-HLAWJBBLSA-N 2 1 321.468 3.390 10 0 DGAEMP Cc1ccncc1C[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000310497464 534421512 /nfs/dbraw/zinc/42/15/12/534421512.db2.gz IONSKDFULSSZNS-SESVDKBCSA-N 2 1 321.468 3.390 10 0 DGAEMP Cc1ccc2[nH+]ccc(N3CC[NH+](Cc4ccncc4)CC3)c2c1 ZINC000302144341 534520832 /nfs/dbraw/zinc/52/08/32/534520832.db2.gz GUCZPWCGGLSUFG-UHFFFAOYSA-N 2 1 318.424 3.260 10 0 DGAEMP CC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCCOc3cc(C)c(C)cc32)C1 ZINC000163267942 521717907 /nfs/dbraw/zinc/71/79/07/521717907.db2.gz YDFUQLNVNSFJFO-SJLPKXTDSA-N 2 1 302.462 3.449 10 0 DGAEMP O[C@@H](C[C@@H]1CCCCC[N@H+]1CCC[NH+]1CCCC1)c1ccco1 ZINC000163399604 527662821 /nfs/dbraw/zinc/66/28/21/527662821.db2.gz UNNUXKPNRGHNAB-ROUUACIJSA-N 2 1 320.477 3.434 10 0 DGAEMP c1c(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)onc1-c1ccccc1 ZINC000321319946 546470056 /nfs/dbraw/zinc/47/00/56/546470056.db2.gz QONBIJVXWJHUGZ-FUHWJXTLSA-N 2 1 311.429 3.306 10 0 DGAEMP c1c(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)onc1-c1ccccc1 ZINC000321319946 546470058 /nfs/dbraw/zinc/47/00/58/546470058.db2.gz QONBIJVXWJHUGZ-FUHWJXTLSA-N 2 1 311.429 3.306 10 0 DGAEMP C[N@@H+](Cc1ccccc1)C1(CNC2CC[NH2+]CC2)CCCCC1 ZINC000714234595 661197628 /nfs/dbraw/zinc/19/76/28/661197628.db2.gz XMTSJOBZEFZIGM-UHFFFAOYSA-N 2 1 315.505 3.163 10 0 DGAEMP CC(C)(C[NH3+])C1CCN(c2cc[nH+]cc2Br)CC1 ZINC000714392553 661199821 /nfs/dbraw/zinc/19/98/21/661199821.db2.gz SCADWXZFWWJCGL-UHFFFAOYSA-N 2 1 312.255 3.045 10 0 DGAEMP CCCCOCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716623071 661224852 /nfs/dbraw/zinc/22/48/52/661224852.db2.gz XJERQLQPDWGEPW-UFYCRDLUSA-N 2 1 316.489 3.446 10 0 DGAEMP COCCCCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716622128 661225226 /nfs/dbraw/zinc/22/52/26/661225226.db2.gz TUIACNFIQWKBOX-ZCNNSNEGSA-N 2 1 316.489 3.446 10 0 DGAEMP CCOC[C@H](C)[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716674239 661226546 /nfs/dbraw/zinc/22/65/46/661226546.db2.gz WERMMIDEDSJYRD-KANFNMMFSA-N 2 1 302.462 3.054 10 0 DGAEMP C[C@H]([NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2)c1cnn(C)c1 ZINC000716672791 661226647 /nfs/dbraw/zinc/22/66/47/661226647.db2.gz UILDZPQEQOMRAB-UUXHPUJUSA-N 2 1 324.472 3.124 10 0 DGAEMP CC[C@@H](COC)[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716674220 661226739 /nfs/dbraw/zinc/22/67/39/661226739.db2.gz VVUQRZOZJNCFHG-OKYOBFRVSA-N 2 1 302.462 3.054 10 0 DGAEMP CC1(C)OCC[C@H]1[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716730465 661228135 /nfs/dbraw/zinc/22/81/35/661228135.db2.gz WYZPWWIRBSIEAQ-CADBVGFASA-N 2 1 314.473 3.197 10 0 DGAEMP Cc1cc(Br)ccc1C[N@H+](C)C[C@]1(C)CC[NH2+]C1 ZINC000261949930 657251063 /nfs/dbraw/zinc/25/10/63/657251063.db2.gz FVQMSECSSICXSX-OAHLLOKOSA-N 2 1 311.267 3.189 10 0 DGAEMP C[NH+](C)CC1CCC([NH2+]Cc2c(O)ccc(Cl)c2F)CC1 ZINC000191463008 662067889 /nfs/dbraw/zinc/06/78/89/662067889.db2.gz FURXXRDRHXAUPC-UHFFFAOYSA-N 2 1 314.832 3.395 10 0 DGAEMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCc1ccns1 ZINC000719908517 662299417 /nfs/dbraw/zinc/29/94/17/662299417.db2.gz QROLCGLRXNEEEZ-CRAIPNDOSA-N 2 1 315.486 3.186 10 0 DGAEMP CO[C@@H]1CCC[C@@H]1[NH2+]C[C@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000382026464 685161768 /nfs/dbraw/zinc/16/17/68/685161768.db2.gz BFGKSTNUPDRSAV-OTWHNJEPSA-N 2 1 302.462 3.056 10 0 DGAEMP c1ccc(OCC2CC2)c(C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000067968446 1195686172 /nfs/dbraw/zinc/68/61/72/1195686172.db2.gz GNGNVMAVCDUKHO-MRXNPFEDSA-N 2 1 300.446 3.049 10 0 DGAEMP c1ccc(OCC2CC2)c(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)c1 ZINC000067968446 1195686175 /nfs/dbraw/zinc/68/61/75/1195686175.db2.gz GNGNVMAVCDUKHO-MRXNPFEDSA-N 2 1 300.446 3.049 10 0 DGAEMP Cc1nn(C)c(C)c1C[NH2+]CC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000080206435 1197045575 /nfs/dbraw/zinc/04/55/75/1197045575.db2.gz VELPXWYEBIGYQT-OAHLLOKOSA-N 2 1 314.477 3.037 10 0 DGAEMP Cc1nn(C)c(C)c1C[NH2+]CC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000080206435 1197045578 /nfs/dbraw/zinc/04/55/78/1197045578.db2.gz VELPXWYEBIGYQT-OAHLLOKOSA-N 2 1 314.477 3.037 10 0 DGAEMP Cc1[nH+]ccn1CC[NH2+]Cc1ccc(Br)c(C)c1 ZINC000310638089 1199721990 /nfs/dbraw/zinc/72/19/90/1199721990.db2.gz RSDPRZLQLBCZCC-UHFFFAOYSA-N 2 1 308.223 3.052 10 0 DGAEMP C[C@]12C[NH+](Cc3cccc(N)c3)C[C@H]1C[N@H+](Cc1ccccc1)C2 ZINC000702079596 1109025793 /nfs/dbraw/zinc/02/57/93/1109025793.db2.gz DQQVMJQMDXIXKA-CTNGQTDRSA-N 2 1 321.468 3.223 10 0 DGAEMP C[C@@]12C[NH+](Cc3ccccc3)C[C@@H]1C[N@H+](Cc1cccc(N)c1)C2 ZINC000702079596 1109025797 /nfs/dbraw/zinc/02/57/97/1109025797.db2.gz DQQVMJQMDXIXKA-CTNGQTDRSA-N 2 1 321.468 3.223 10 0 DGAEMP C[C@@]12C[NH+](Cc3ccccc3)C[C@@H]1C[N@@H+](Cc1cccc(N)c1)C2 ZINC000702079596 1109025800 /nfs/dbraw/zinc/02/58/00/1109025800.db2.gz DQQVMJQMDXIXKA-CTNGQTDRSA-N 2 1 321.468 3.223 10 0 DGAEMP CC(C)OC(=O)c1ccc(C[N@H+](C)[C@H]2CCN(C)[C@H](C)C2)cc1 ZINC000135123485 432099616 /nfs/dbraw/zinc/09/96/16/432099616.db2.gz QFYKWNQTFZOHNE-QAPCUYQASA-N 2 1 318.461 3.166 10 0 DGAEMP CC(C)OC(=O)c1ccc(C[N@@H+](C)[C@H]2CCN(C)[C@H](C)C2)cc1 ZINC000135123485 432099620 /nfs/dbraw/zinc/09/96/20/432099620.db2.gz QFYKWNQTFZOHNE-QAPCUYQASA-N 2 1 318.461 3.166 10 0 DGAEMP Cc1cc(C[NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)ccn1 ZINC000449403928 240178860 /nfs/dbraw/zinc/17/88/60/240178860.db2.gz SEQVMGKHHPNVKL-PWRODBHTSA-N 2 1 321.468 3.390 10 0 DGAEMP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccccc2OC2CCC2)[C@@H](C)C1 ZINC000246294849 432117188 /nfs/dbraw/zinc/11/71/88/432117188.db2.gz CQCWQEQKUONZQF-YJBOKZPZSA-N 2 1 302.462 3.438 10 0 DGAEMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccccc2OC2CCC2)[C@@H](C)C1 ZINC000246294849 432117190 /nfs/dbraw/zinc/11/71/90/432117190.db2.gz CQCWQEQKUONZQF-YJBOKZPZSA-N 2 1 302.462 3.438 10 0 DGAEMP Clc1ccc(COCC[NH2+]C2CC[NH+](C3CC3)CC2)cc1 ZINC000459445614 243372238 /nfs/dbraw/zinc/37/22/38/243372238.db2.gz DOUAKSRHYDGYAO-UHFFFAOYSA-N 2 1 308.853 3.073 10 0 DGAEMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2c[nH]nc2-c2ccccc2)[C@H](C)C1 ZINC000093638898 193279559 /nfs/dbraw/zinc/27/95/59/193279559.db2.gz HGGFSEVUQHBQMP-CRAIPNDOSA-N 2 1 312.461 3.239 10 0 DGAEMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2c[nH]nc2-c2ccccc2)[C@H](C)C1 ZINC000093638898 193279562 /nfs/dbraw/zinc/27/95/62/193279562.db2.gz HGGFSEVUQHBQMP-CRAIPNDOSA-N 2 1 312.461 3.239 10 0 DGAEMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2c[nH]nc2-c2ccccc2)[C@H](C)C1 ZINC000093638898 193279564 /nfs/dbraw/zinc/27/95/64/193279564.db2.gz HGGFSEVUQHBQMP-CRAIPNDOSA-N 2 1 312.461 3.239 10 0 DGAEMP C[C@H]1C[C@H]([NH+](C)Cc2ccc(OCC(F)F)cc2)CC[N@@H+]1C ZINC000093643966 193282654 /nfs/dbraw/zinc/28/26/54/193282654.db2.gz KGKCIACNKZLUGA-DZGCQCFKSA-N 2 1 312.404 3.245 10 0 DGAEMP C[C@H]1C[C@H]([NH+](C)Cc2ccc(OCC(F)F)cc2)CC[N@H+]1C ZINC000093643966 193282655 /nfs/dbraw/zinc/28/26/55/193282655.db2.gz KGKCIACNKZLUGA-DZGCQCFKSA-N 2 1 312.404 3.245 10 0 DGAEMP C[C@H]1C[C@H]([N@H+](C)Cc2ccc(OCC(F)F)cc2)CC[NH+]1C ZINC000093643966 193282657 /nfs/dbraw/zinc/28/26/57/193282657.db2.gz KGKCIACNKZLUGA-DZGCQCFKSA-N 2 1 312.404 3.245 10 0 DGAEMP C[C@H]1C[C@H]([N@@H+](C)Cc2ccc(OCC(F)F)cc2)CC[NH+]1C ZINC000093643966 193282659 /nfs/dbraw/zinc/28/26/59/193282659.db2.gz KGKCIACNKZLUGA-DZGCQCFKSA-N 2 1 312.404 3.245 10 0 DGAEMP CCO[C@H]1C[C@H]([NH2+]C2CCN(c3ccc(C)c[nH+]3)CC2)C1(C)C ZINC000181804748 432145118 /nfs/dbraw/zinc/14/51/18/432145118.db2.gz LUBPCUYHLAPMTD-IRXDYDNUSA-N 2 1 317.477 3.152 10 0 DGAEMP CCc1[nH+]ccn1[C@@H](c1ccc(Br)cc1)[C@@H](C)[NH3+] ZINC000042956203 183322655 /nfs/dbraw/zinc/32/26/55/183322655.db2.gz LMZQHLLSCMGHFI-QMTHXVAHSA-N 2 1 308.223 3.145 10 0 DGAEMP CC[NH+](CC)[C@H](C)C[NH2+]C1CCC(C(=O)OC(C)(C)C)CC1 ZINC000092560496 284809198 /nfs/dbraw/zinc/80/91/98/284809198.db2.gz LNYYVMZJQAVVAE-QQFBHYJXSA-N 2 1 312.498 3.207 10 0 DGAEMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)CC[C@H](C)c2ccccc2)CC1 ZINC000249055742 285050455 /nfs/dbraw/zinc/05/04/55/285050455.db2.gz YOAPPGNAWGNGFP-ROUUACIJSA-N 2 1 318.505 3.205 10 0 DGAEMP CCC[N@@H+](C)C[C@H]1CCN(C/C=C\c2ccccc2OC)C1 ZINC000255196575 285137390 /nfs/dbraw/zinc/13/73/90/285137390.db2.gz QZQOABMYOGCQBJ-NBEHIINDSA-N 2 1 302.462 3.372 10 0 DGAEMP CC[N@H+]1CC[C@H]([NH+](C)C/C=C\c2ccccc2OC)[C@@H](C)C1 ZINC000255474177 285157482 /nfs/dbraw/zinc/15/74/82/285157482.db2.gz PUVPSUOETFPKSJ-GNRULJKASA-N 2 1 302.462 3.371 10 0 DGAEMP CC[NH+]1CC[C@H]([N@H+](C)C/C=C\c2ccccc2OC)[C@@H](C)C1 ZINC000255474177 285157484 /nfs/dbraw/zinc/15/74/84/285157484.db2.gz PUVPSUOETFPKSJ-GNRULJKASA-N 2 1 302.462 3.371 10 0 DGAEMP CC[NH+]1CC[C@H]([N@@H+](C)C/C=C\c2ccccc2OC)[C@@H](C)C1 ZINC000255474177 285157485 /nfs/dbraw/zinc/15/74/85/285157485.db2.gz PUVPSUOETFPKSJ-GNRULJKASA-N 2 1 302.462 3.371 10 0 DGAEMP C[C@@]1(C[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CCCS1 ZINC000392896287 400278244 /nfs/dbraw/zinc/27/82/44/400278244.db2.gz LTCIIULRKOHCCO-ROUUACIJSA-N 2 1 304.503 3.384 10 0 DGAEMP C[N@H+]1C[C@@H]2C[NH+](Cc3ccccc3)[C@H](Cc3ccccc3)[C@H]2C1 ZINC000409431361 400301702 /nfs/dbraw/zinc/30/17/02/400301702.db2.gz PNYXJCVPSYNSDZ-QHAWAJNXSA-N 2 1 306.453 3.291 10 0 DGAEMP C[NH+]1C[C@@H]2C[N@H+](Cc3ccccc3)[C@H](Cc3ccccc3)[C@H]2C1 ZINC000409431361 400301706 /nfs/dbraw/zinc/30/17/06/400301706.db2.gz PNYXJCVPSYNSDZ-QHAWAJNXSA-N 2 1 306.453 3.291 10 0 DGAEMP C[NH+]1C[C@@H]2C[N@@H+](Cc3ccccc3)[C@H](Cc3ccccc3)[C@H]2C1 ZINC000409431361 400301710 /nfs/dbraw/zinc/30/17/10/400301710.db2.gz PNYXJCVPSYNSDZ-QHAWAJNXSA-N 2 1 306.453 3.291 10 0 DGAEMP COC(=O)C(C)(C)[C@H]([NH2+]CC[C@@H]1CCC[N@H+]1C)c1ccccc1 ZINC000611405350 400394593 /nfs/dbraw/zinc/39/45/93/400394593.db2.gz LLYWXJZPPGOPBL-DLBZAZTESA-N 2 1 318.461 3.001 10 0 DGAEMP CCC1([NH+](C)C)CCN(c2cc[nH+]cc2Br)CC1 ZINC000631477889 401477761 /nfs/dbraw/zinc/47/77/61/401477761.db2.gz XQLQVALHWROZAU-UHFFFAOYSA-N 2 1 312.255 3.155 10 0 DGAEMP C[C@H](CC[NH2+][C@@H](C)[C@H]1CCCCO1)[N@@H+](C)Cc1ccccc1 ZINC000623901453 401596284 /nfs/dbraw/zinc/59/62/84/401596284.db2.gz IGKDFHONETXUMY-ZIFCJYIRSA-N 2 1 304.478 3.444 10 0 DGAEMP CN(Cc1cccnc1)C[C@@H]1CC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000190471844 432161362 /nfs/dbraw/zinc/16/13/62/432161362.db2.gz WCTPVGFUVNOASF-SFHVURJKSA-N 2 1 313.420 3.175 10 0 DGAEMP C[N@@H+](Cc1cccnc1)C[C@@H]1CCN(Cc2ccc(F)cc2)C1 ZINC000190471844 432161366 /nfs/dbraw/zinc/16/13/66/432161366.db2.gz WCTPVGFUVNOASF-SFHVURJKSA-N 2 1 313.420 3.175 10 0 DGAEMP Cc1ccccc1C[NH+]1CCC(N[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000246827337 432169949 /nfs/dbraw/zinc/16/99/49/432169949.db2.gz BLPBSGBHPNZKCF-PXNSSMCTSA-N 2 1 315.505 3.032 10 0 DGAEMP Cc1ccc2nc(CN3CC[C@@H]4[C@@H](CCC[N@H+]4C4CC4)C3)cn2c1 ZINC000246935677 432183715 /nfs/dbraw/zinc/18/37/15/432183715.db2.gz TYBIRAAKECIRNQ-QFBILLFUSA-N 2 1 324.472 3.091 10 0 DGAEMP C[C@@H]1C[C@@H](NC[C@H]2CCCC[NH+]2Cc2ccccc2)CC[N@H+]1C ZINC000246935568 432182870 /nfs/dbraw/zinc/18/28/70/432182870.db2.gz HHNWLPMQHRKSDS-YZGWKJHDSA-N 2 1 315.505 3.113 10 0 DGAEMP C[C@@H]1C[C@@H](NC[C@H]2CCCC[N@@H+]2Cc2ccccc2)CC[NH+]1C ZINC000246935568 432182873 /nfs/dbraw/zinc/18/28/73/432182873.db2.gz HHNWLPMQHRKSDS-YZGWKJHDSA-N 2 1 315.505 3.113 10 0 DGAEMP C[C@@H]1C[C@@H](NC[C@H]2CCCC[N@H+]2Cc2ccccc2)CC[NH+]1C ZINC000246935568 432182877 /nfs/dbraw/zinc/18/28/77/432182877.db2.gz HHNWLPMQHRKSDS-YZGWKJHDSA-N 2 1 315.505 3.113 10 0 DGAEMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCCCN2Cc2ccccc2)CC[N@@H+]1C ZINC000246935568 432182880 /nfs/dbraw/zinc/18/28/80/432182880.db2.gz HHNWLPMQHRKSDS-YZGWKJHDSA-N 2 1 315.505 3.113 10 0 DGAEMP C[C@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1ccc([S@](C)=O)cc1 ZINC000247092893 432202523 /nfs/dbraw/zinc/20/25/23/432202523.db2.gz OCSOHZDTHALDKS-SUXBSASXSA-N 2 1 320.502 3.090 10 0 DGAEMP C[C@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1ccc([S@](C)=O)cc1 ZINC000247092893 432202525 /nfs/dbraw/zinc/20/25/25/432202525.db2.gz OCSOHZDTHALDKS-SUXBSASXSA-N 2 1 320.502 3.090 10 0 DGAEMP COC(C)(C)CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000346613311 264065391 /nfs/dbraw/zinc/06/53/91/264065391.db2.gz MFDODRNYTIMEOU-SJLPKXTDSA-N 2 1 304.478 3.302 10 0 DGAEMP c1nc2c(n1[C@@H]1CC[N@H+](Cc3nc4ccccc4[nH]3)C1)CCCC2 ZINC000347277921 264189122 /nfs/dbraw/zinc/18/91/22/264189122.db2.gz CUAZTXMRPFTTEC-CQSZACIVSA-N 2 1 321.428 3.085 10 0 DGAEMP c1cc(-c2n[nH]cc2C[NH2+]C2CC([NH+]3CCCCC3)C2)cs1 ZINC000355595111 266127012 /nfs/dbraw/zinc/12/70/12/266127012.db2.gz FYLYGSIPNJUTJE-UHFFFAOYSA-N 2 1 316.474 3.245 10 0 DGAEMP C[C@H](CCN[C@H]1CCCc2n[nH]cc21)[N@@H+](C)Cc1ccccc1 ZINC000367601924 271048877 /nfs/dbraw/zinc/04/88/77/271048877.db2.gz QKJQMCHTWPWHCC-QAPCUYQASA-N 2 1 312.461 3.287 10 0 DGAEMP C[C@H](CC[NH2+][C@H]1CCCc2n[nH]cc21)[N@@H+](C)Cc1ccccc1 ZINC000367601924 271048882 /nfs/dbraw/zinc/04/88/82/271048882.db2.gz QKJQMCHTWPWHCC-QAPCUYQASA-N 2 1 312.461 3.287 10 0 DGAEMP Cc1ncccc1C[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000368058313 271127426 /nfs/dbraw/zinc/12/74/26/271127426.db2.gz HKKCWHIQBTUOKM-YLJYHZDGSA-N 2 1 309.457 3.390 10 0 DGAEMP OCCCCC[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000247990440 432260213 /nfs/dbraw/zinc/26/02/13/432260213.db2.gz JIMKBDZDNCNMFA-WOJBJXKFSA-N 2 1 316.489 3.136 10 0 DGAEMP OCCCCC[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000247990440 432260220 /nfs/dbraw/zinc/26/02/20/432260220.db2.gz JIMKBDZDNCNMFA-WOJBJXKFSA-N 2 1 316.489 3.136 10 0 DGAEMP OCCCCC[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000247990440 432260225 /nfs/dbraw/zinc/26/02/25/432260225.db2.gz JIMKBDZDNCNMFA-WOJBJXKFSA-N 2 1 316.489 3.136 10 0 DGAEMP CC[NH+](CC)CCC[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCO2 ZINC000191477823 279094934 /nfs/dbraw/zinc/09/49/34/279094934.db2.gz FARRMZZTDFCEER-INIZCTEOSA-N 2 1 304.434 3.284 10 0 DGAEMP CC[NH+](CC)CCC[N@H+]1CCC[C@H]1c1ccc2c(c1)OCO2 ZINC000191477823 279094935 /nfs/dbraw/zinc/09/49/35/279094935.db2.gz FARRMZZTDFCEER-INIZCTEOSA-N 2 1 304.434 3.284 10 0 DGAEMP C[C@H](CCCC[NH3+])[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000309731678 279255149 /nfs/dbraw/zinc/25/51/49/279255149.db2.gz SEGFFNVWANYCDZ-VBSBHUPXSA-N 3 1 315.505 3.004 10 0 DGAEMP C[C@@H]1C[C@H]([N@@H+](C)CCCOCCc2ccccc2)CCN1C ZINC000123643028 431870543 /nfs/dbraw/zinc/87/05/43/431870543.db2.gz SLDANLNCGWOLPM-IEBWSBKVSA-N 2 1 304.478 3.050 10 0 DGAEMP C[C@@H]1C[C@H]([NH+](C)CCCOCCc2ccccc2)CC[N@@H+]1C ZINC000123643028 431870545 /nfs/dbraw/zinc/87/05/45/431870545.db2.gz SLDANLNCGWOLPM-IEBWSBKVSA-N 2 1 304.478 3.050 10 0 DGAEMP C[C@@H]1C[C@H]([NH+](C)CCCOCCc2ccccc2)CC[N@H+]1C ZINC000123643028 431870547 /nfs/dbraw/zinc/87/05/47/431870547.db2.gz SLDANLNCGWOLPM-IEBWSBKVSA-N 2 1 304.478 3.050 10 0 DGAEMP C[C@@H]1C[C@H]([N@H+](C)CCCOCCc2ccccc2)CC[NH+]1C ZINC000123643028 431870548 /nfs/dbraw/zinc/87/05/48/431870548.db2.gz SLDANLNCGWOLPM-IEBWSBKVSA-N 2 1 304.478 3.050 10 0 DGAEMP C[C@@H]1C[C@H]([N@@H+](C)CCCOCCc2ccccc2)CC[NH+]1C ZINC000123643028 431870550 /nfs/dbraw/zinc/87/05/50/431870550.db2.gz SLDANLNCGWOLPM-IEBWSBKVSA-N 2 1 304.478 3.050 10 0 DGAEMP Cc1ccccc1[C@H](C)[N@@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000245538419 281380304 /nfs/dbraw/zinc/38/03/04/281380304.db2.gz YZQJHUJZPTTZCU-RBUKOAKNSA-N 2 1 315.505 3.158 10 0 DGAEMP Cc1ccccc1[C@H](C)[N@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000245538419 281380308 /nfs/dbraw/zinc/38/03/08/281380308.db2.gz YZQJHUJZPTTZCU-RBUKOAKNSA-N 2 1 315.505 3.158 10 0 DGAEMP Cc1cccc(NC[C@@H]2CC[N@H+](C[C@@H](O)CC3CCCC3)C2)[nH+]1 ZINC000248873124 432325701 /nfs/dbraw/zinc/32/57/01/432325701.db2.gz DPXVSAYXTFZRPF-ROUUACIJSA-N 2 1 317.477 3.065 10 0 DGAEMP Cc1cccc(NC[C@@H]2CC[N@@H+](C[C@@H](O)CC3CCCC3)C2)[nH+]1 ZINC000248873124 432325706 /nfs/dbraw/zinc/32/57/06/432325706.db2.gz DPXVSAYXTFZRPF-ROUUACIJSA-N 2 1 317.477 3.065 10 0 DGAEMP C[C@@H]1C[NH2+]CC[C@H]1[NH2+]Cc1ccccc1OCc1ccccc1 ZINC000261557043 432431237 /nfs/dbraw/zinc/43/12/37/432431237.db2.gz WTHAXDLKRNKTJJ-VQIMIIECSA-N 2 1 310.441 3.353 10 0 DGAEMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H](C)c2ccnn2C)cc1 ZINC000192944131 432431925 /nfs/dbraw/zinc/43/19/25/432431925.db2.gz RUSXEBZCZGJCKK-UONOGXRCSA-N 2 1 309.417 3.326 10 0 DGAEMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H](C)c2ccnn2C)cc1 ZINC000192944096 432432190 /nfs/dbraw/zinc/43/21/90/432432190.db2.gz RUSXEBZCZGJCKK-KBPBESRZSA-N 2 1 309.417 3.326 10 0 DGAEMP c1cc(C[N@H+](C[C@H]2CCSC2)[C@@H]2CC23CC[NH2+]CC3)cs1 ZINC000261654339 432439204 /nfs/dbraw/zinc/43/92/04/432439204.db2.gz BHBCJPWNGVLGDT-HZPDHXFCSA-N 2 1 322.543 3.445 10 0 DGAEMP CC[N@@H+]1CCCn2ccnc2[C@@H]1C1CC[NH+](CC(C)C)CC1 ZINC000257189424 432416218 /nfs/dbraw/zinc/41/62/18/432416218.db2.gz IQQPVMBNRTXJDP-KRWDZBQOSA-N 2 1 304.482 3.018 10 0 DGAEMP CC[N@H+]1CCCn2ccnc2[C@@H]1C1CC[NH+](CC(C)C)CC1 ZINC000257189424 432416223 /nfs/dbraw/zinc/41/62/23/432416223.db2.gz IQQPVMBNRTXJDP-KRWDZBQOSA-N 2 1 304.482 3.018 10 0 DGAEMP Cc1ccc(C[N@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)cc1Cl ZINC000193903253 432508920 /nfs/dbraw/zinc/50/89/20/432508920.db2.gz LOFJPMZOHZZLSN-OAHLLOKOSA-N 2 1 324.896 3.173 10 0 DGAEMP c1ccc2cc(C[NH2+][C@@H]3CCC[C@H]3[C@@H]3COCC[NH2+]3)ccc2c1 ZINC000261995598 432468590 /nfs/dbraw/zinc/46/85/90/432468590.db2.gz UAOSPGKHRKNMHH-AQNXPRMDSA-N 2 1 310.441 3.087 10 0 DGAEMP Fc1cccc(Cl)c1C[C@@H]1CCC[N@@H+]1C[C@H]1CCC[NH2+]C1 ZINC000262033387 432469626 /nfs/dbraw/zinc/46/96/26/432469626.db2.gz XKFZPPRTPRTVPE-KBPBESRZSA-N 2 1 310.844 3.486 10 0 DGAEMP Fc1cccc(Cl)c1C[C@@H]1CCC[N@H+]1C[C@H]1CCC[NH2+]C1 ZINC000262033387 432469628 /nfs/dbraw/zinc/46/96/28/432469628.db2.gz XKFZPPRTPRTVPE-KBPBESRZSA-N 2 1 310.844 3.486 10 0 DGAEMP Cc1nc(C[N@H+]2CC[C@@H](CNc3ccccn3)C2)sc1C ZINC000176379202 432517120 /nfs/dbraw/zinc/51/71/20/432517120.db2.gz BZQXBNJFVKQVID-AWEZNQCLSA-N 2 1 302.447 3.089 10 0 DGAEMP Cc1nc(CN2CC[C@@H](CNc3ccccn3)C2)sc1C ZINC000176379202 432517124 /nfs/dbraw/zinc/51/71/24/432517124.db2.gz BZQXBNJFVKQVID-AWEZNQCLSA-N 2 1 302.447 3.089 10 0 DGAEMP COc1ccccc1C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)C(C)C ZINC000158252183 432641858 /nfs/dbraw/zinc/64/18/58/432641858.db2.gz YDCOHYJRVIPTQC-FUHWJXTLSA-N 2 1 304.478 3.194 10 0 DGAEMP COC[C@H](C)C[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000187158583 432649572 /nfs/dbraw/zinc/64/95/72/432649572.db2.gz PARFNIKAVDCSJV-QGZVFWFLSA-N 2 1 304.478 3.113 10 0 DGAEMP COC[C@H](C)C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000187469278 432666387 /nfs/dbraw/zinc/66/63/87/432666387.db2.gz DGNQTEYNNYDZTK-MISYRCLQSA-N 2 1 316.489 3.255 10 0 DGAEMP COC[C@H](C)C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000187469278 432666391 /nfs/dbraw/zinc/66/63/91/432666391.db2.gz DGNQTEYNNYDZTK-MISYRCLQSA-N 2 1 316.489 3.255 10 0 DGAEMP COC[C@H](C)C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000187469278 432666395 /nfs/dbraw/zinc/66/63/95/432666395.db2.gz DGNQTEYNNYDZTK-MISYRCLQSA-N 2 1 316.489 3.255 10 0 DGAEMP Cc1nccnc1[C@H](C)[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000188444718 432725050 /nfs/dbraw/zinc/72/50/50/432725050.db2.gz PLKHFDPHTAMXQC-CWRNSKLLSA-N 2 1 302.466 3.089 10 0 DGAEMP Cc1nccnc1[C@H](C)[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000188444718 432725055 /nfs/dbraw/zinc/72/50/55/432725055.db2.gz PLKHFDPHTAMXQC-CWRNSKLLSA-N 2 1 302.466 3.089 10 0 DGAEMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)[C@H](C)C1 ZINC000162911029 432837765 /nfs/dbraw/zinc/83/77/65/432837765.db2.gz VXCBJHZOAZQEIV-YLJYHZDGSA-N 3 1 315.505 3.102 10 0 DGAEMP CC[N@@H+]1CC[C@@H](NCc2ccc(C[NH+]3CCCC3)cc2)[C@H](C)C1 ZINC000162911029 432837768 /nfs/dbraw/zinc/83/77/68/432837768.db2.gz VXCBJHZOAZQEIV-YLJYHZDGSA-N 2 1 315.505 3.102 10 0 DGAEMP CC[N@H+]1CC[C@@H](NCc2ccc(C[NH+]3CCCC3)cc2)[C@H](C)C1 ZINC000162911029 432837772 /nfs/dbraw/zinc/83/77/72/432837772.db2.gz VXCBJHZOAZQEIV-YLJYHZDGSA-N 2 1 315.505 3.102 10 0 DGAEMP CCN1CC[C@@H]([NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)[C@H](C)C1 ZINC000162911029 432837773 /nfs/dbraw/zinc/83/77/73/432837773.db2.gz VXCBJHZOAZQEIV-YLJYHZDGSA-N 2 1 315.505 3.102 10 0 DGAEMP Cc1n[nH]cc1CN1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000245752914 432861379 /nfs/dbraw/zinc/86/13/79/432861379.db2.gz HHKWQWHHXQHICM-ICSRJNTNSA-N 2 1 324.472 3.205 10 0 DGAEMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H](C)c2ccc(OC)cc2)[C@@H](C)C1 ZINC000245873747 432867478 /nfs/dbraw/zinc/86/74/78/432867478.db2.gz SJXGESJNWMQGCI-GJYPPUQNSA-N 2 1 304.478 3.461 10 0 DGAEMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H](C)c2ccc(OC)cc2)[C@@H](C)C1 ZINC000245873747 432867479 /nfs/dbraw/zinc/86/74/79/432867479.db2.gz SJXGESJNWMQGCI-GJYPPUQNSA-N 2 1 304.478 3.461 10 0 DGAEMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H](C)c2ccc(OC)cc2)[C@@H](C)C1 ZINC000245873747 432867480 /nfs/dbraw/zinc/86/74/80/432867480.db2.gz SJXGESJNWMQGCI-GJYPPUQNSA-N 2 1 304.478 3.461 10 0 DGAEMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](COCc2ccccc2)C(C)C)C1 ZINC000446750070 433101464 /nfs/dbraw/zinc/10/14/64/433101464.db2.gz DQLMWAQJZGDELH-MOPGFXCFSA-N 2 1 304.478 3.159 10 0 DGAEMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(C)(C)C(C)(C)O ZINC000453344811 433107716 /nfs/dbraw/zinc/10/77/16/433107716.db2.gz FCLCYHFHHLVLKG-FUHWJXTLSA-N 2 1 318.505 3.284 10 0 DGAEMP C[C@@H]1CC[C@@H](C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)O1 ZINC000453410394 433162933 /nfs/dbraw/zinc/16/29/33/433162933.db2.gz PJHHWVHGDFEGAB-PKOFMYQESA-N 2 1 314.473 3.339 10 0 DGAEMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H]1CCC[C@H](O)C1 ZINC000361887409 433439000 /nfs/dbraw/zinc/43/90/00/433439000.db2.gz OUALOBGGHYJDEW-LMCOJAPRSA-N 2 1 316.489 3.038 10 0 DGAEMP Cc1cccc2c(N3C[C@@H]4C[N@H+]5CCCC[C@@H]5[C@H]4C3)cc[nH+]c12 ZINC000301697858 433683296 /nfs/dbraw/zinc/68/32/96/433683296.db2.gz ZXLRAQQPIOHGBY-RYQLBKOJSA-N 2 1 307.441 3.464 10 0 DGAEMP Cc1[nH+]ccn1-c1ccc(C[NH2+]Cc2cnccc2C)cc1F ZINC000373381434 293267411 /nfs/dbraw/zinc/26/74/11/293267411.db2.gz BOUYOWQTXWGJSP-UHFFFAOYSA-N 2 1 310.376 3.313 10 0 DGAEMP c1ccc([C@H]2CC[C@H](C[NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)O2)cc1 ZINC000377579102 433920409 /nfs/dbraw/zinc/92/04/09/433920409.db2.gz HYGCPDAWXKRZAD-NCXUSEDFSA-N 2 1 300.446 3.123 10 0 DGAEMP c1ccc([C@H]2CCC[C@H]2[NH2+]CCC[NH2+]Cc2cccnc2)cc1 ZINC000414876307 433895002 /nfs/dbraw/zinc/89/50/02/433895002.db2.gz KMIPONCHDNXSAV-WOJBJXKFSA-N 2 1 309.457 3.487 10 0 DGAEMP COC(C)(C)[C@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000340258371 434020879 /nfs/dbraw/zinc/02/08/79/434020879.db2.gz NBGHBGJBIITUNU-SOLBZPMBSA-N 2 1 304.478 3.443 10 0 DGAEMP COC(C)(C)[C@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000340258371 434020886 /nfs/dbraw/zinc/02/08/86/434020886.db2.gz NBGHBGJBIITUNU-SOLBZPMBSA-N 2 1 304.478 3.443 10 0 DGAEMP CC1(C)OCC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000340234617 433999817 /nfs/dbraw/zinc/99/98/17/433999817.db2.gz ASVLMKYIRIXBOC-XVLXNVKGSA-N 2 1 314.473 3.339 10 0 DGAEMP C[C@@H]1C[N@@H+]([C@H]2CCc3ccc(Br)cc32)C[C@@]1(C)C[NH3+] ZINC000388269697 434329695 /nfs/dbraw/zinc/32/96/95/434329695.db2.gz MXKHGNKWEDGHIJ-XFBWCDHKSA-N 2 1 323.278 3.353 10 0 DGAEMP C[C@@H]1C[N@H+]([C@H]2CCc3ccc(Br)cc32)C[C@@]1(C)C[NH3+] ZINC000388269697 434329703 /nfs/dbraw/zinc/32/97/03/434329703.db2.gz MXKHGNKWEDGHIJ-XFBWCDHKSA-N 2 1 323.278 3.353 10 0 DGAEMP c1cncc(C[NH2+]CCC[NH2+][C@H]2CCC[C@@H](c3cccnc3)C2)c1 ZINC000423190645 434278108 /nfs/dbraw/zinc/27/81/08/434278108.db2.gz RGOAEKHGMBJXAY-QUCCMNQESA-N 2 1 324.472 3.272 10 0 DGAEMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)[C@H](C)O1 ZINC000295389207 434341710 /nfs/dbraw/zinc/34/17/10/434341710.db2.gz LBUHMYHLHNYRTE-VYDRJQSISA-N 2 1 302.462 3.053 10 0 DGAEMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)[C@H](C)O1 ZINC000295389207 434341719 /nfs/dbraw/zinc/34/17/19/434341719.db2.gz LBUHMYHLHNYRTE-VYDRJQSISA-N 2 1 302.462 3.053 10 0 DGAEMP c1cn2c([nH+]1)CC[C@H]([NH2+][C@@H]1CCCOc3cc4c(cc31)CCC4)C2 ZINC000360023379 434481132 /nfs/dbraw/zinc/48/11/32/434481132.db2.gz ZAVQCCQXBSYOII-FUHWJXTLSA-N 2 1 323.440 3.190 10 0 DGAEMP C[N@H+]1CCC[C@H](CN[C@H]2CCn3ccnc32)[C@H]1c1cccs1 ZINC000453111529 434806000 /nfs/dbraw/zinc/80/60/00/434806000.db2.gz BZVGYPHXBFKSEL-YCPHGPKFSA-N 2 1 316.474 3.062 10 0 DGAEMP c1ccc(C[N@H+]2CC[C@H]([NH2+][C@H]3CCCOC3)[C@@H]3CCC[C@@H]32)cc1 ZINC000453236063 434837631 /nfs/dbraw/zinc/83/76/31/434837631.db2.gz UENOBBSDHPLOOV-MUGJNUQGSA-N 2 1 314.473 3.198 10 0 DGAEMP Cc1nc(-c2ccc(C[NH2+]C3CC[NH+](C)CC3)cc2)cs1 ZINC000532471859 435167553 /nfs/dbraw/zinc/16/75/53/435167553.db2.gz IOMUKZSADMCAJK-UHFFFAOYSA-N 2 1 301.459 3.302 10 0 DGAEMP C/C(=C\c1ccccc1OC(F)F)C[NH2+]CCC[NH+]1CCC1 ZINC000572617291 435847298 /nfs/dbraw/zinc/84/72/98/435847298.db2.gz YTBZWQAUHIBFTQ-WYMLVPIESA-N 2 1 310.388 3.377 10 0 DGAEMP Fc1ccc(SCC[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)cc1 ZINC000037917975 545674506 /nfs/dbraw/zinc/67/45/06/545674506.db2.gz OMEZXNUIDRVPFG-PBHICJAKSA-N 2 1 308.466 3.382 10 0 DGAEMP Fc1ccc(SCC[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)cc1 ZINC000037917974 545674932 /nfs/dbraw/zinc/67/49/32/545674932.db2.gz OMEZXNUIDRVPFG-YOEHRIQHSA-N 2 1 308.466 3.382 10 0 DGAEMP O[C@H](C[NH2+][C@H](c1ccc(Cl)cc1)C1CC1)C[NH+]1CCCCC1 ZINC000180044731 546141648 /nfs/dbraw/zinc/14/16/48/546141648.db2.gz DKHHZRMFOCPZOX-MSOLQXFVSA-N 2 1 322.880 3.228 10 0 DGAEMP Clc1ccccc1OCC[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000252414098 546330878 /nfs/dbraw/zinc/33/08/78/546330878.db2.gz GSKSYABLVQQYGR-GOEBONIOSA-N 2 1 308.853 3.183 10 0 DGAEMP Clc1ccccc1OCC[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000252414098 546330883 /nfs/dbraw/zinc/33/08/83/546330883.db2.gz GSKSYABLVQQYGR-GOEBONIOSA-N 2 1 308.853 3.183 10 0 DGAEMP Cc1cc(N[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)cc[nH+]1 ZINC000381907049 546740905 /nfs/dbraw/zinc/74/09/05/546740905.db2.gz YLNXIWZNLYTVHG-MISYRCLQSA-N 2 1 307.441 3.134 10 0 DGAEMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC1CCC(O)CC1 ZINC000398143385 546763456 /nfs/dbraw/zinc/76/34/56/546763456.db2.gz NARJHCAHUWTHEJ-KTLDDFEXSA-N 2 1 316.489 3.038 10 0 DGAEMP c1ccc(C[NH+]2CCC([NH2+]Cc3cccc4c3NCC4)CC2)cc1 ZINC000261537577 575246257 /nfs/dbraw/zinc/24/62/57/575246257.db2.gz ORIGGZUYJHDULV-UHFFFAOYSA-N 2 1 321.468 3.409 10 0 DGAEMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1CCC(C)(O)CC1 ZINC000702988305 660752253 /nfs/dbraw/zinc/75/22/53/660752253.db2.gz MFEDBZHZOQSAHF-VHBXLISGSA-N 2 1 316.489 3.180 10 0 DGAEMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1CCC(C)(O)CC1 ZINC000702988305 660752254 /nfs/dbraw/zinc/75/22/54/660752254.db2.gz MFEDBZHZOQSAHF-VHBXLISGSA-N 2 1 316.489 3.180 10 0 DGAEMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C[NH2+][C@@H]1CCCc2n[nH]cc21 ZINC000708541085 660924185 /nfs/dbraw/zinc/92/41/85/660924185.db2.gz HWIXSZRZXMDVAK-HHXXYDBFSA-N 2 1 324.472 3.145 10 0 DGAEMP C[C@@H](c1ccc(Br)cc1)[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723905521 655729279 /nfs/dbraw/zinc/72/92/79/655729279.db2.gz KRTZYMCIINCHGG-MBNYWOFBSA-N 2 1 311.267 3.427 10 0 DGAEMP C[C@H]1C[C@@H]([NH2+]CCc2sccc2Br)CC[N@H+]1C ZINC000713116237 661190250 /nfs/dbraw/zinc/19/02/50/661190250.db2.gz OAXJKXFRWRZNTD-QWRGUYRKSA-N 2 1 317.296 3.125 10 0 DGAEMP CC(C)OCCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716620463 661224975 /nfs/dbraw/zinc/22/49/75/661224975.db2.gz NJLFMTIUFUHYFL-UFYCRDLUSA-N 2 1 316.489 3.444 10 0 DGAEMP CC(C)[C@H](CCO)[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716621550 661225013 /nfs/dbraw/zinc/22/50/13/661225013.db2.gz RFSAKFAPZRNIRJ-MUGJNUQGSA-N 2 1 316.489 3.036 10 0 DGAEMP COC[C@@H]([NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2)C(C)C ZINC000716620033 661225141 /nfs/dbraw/zinc/22/51/41/661225141.db2.gz KKKCLGCPCQWEMR-ZGXWSNOMSA-N 2 1 316.489 3.300 10 0 DGAEMP C[C@H]([NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2)[C@H]1CCCO1 ZINC000716662775 661226163 /nfs/dbraw/zinc/22/61/63/661226163.db2.gz PZMZIWLQRBSUQK-ONSCTEFMSA-N 2 1 314.473 3.197 10 0 DGAEMP COC(C)(C)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716674257 661226473 /nfs/dbraw/zinc/22/64/73/661226473.db2.gz WWLFLHQTRIBTIN-KSZLIROESA-N 2 1 302.462 3.054 10 0 DGAEMP CO[C@H]1C[C@H](C[NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)C1 ZINC000716696178 661227385 /nfs/dbraw/zinc/22/73/85/661227385.db2.gz BWJXZJNBEYEDSF-HVTWWXFQSA-N 2 1 314.473 3.054 10 0 DGAEMP CO[C@@H](C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2)C1CC1 ZINC000716692401 661227414 /nfs/dbraw/zinc/22/74/14/661227414.db2.gz LQSDWIASIVWDOV-RNQOJCNYSA-N 2 1 314.473 3.054 10 0 DGAEMP C[C@@H](CCCO)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716695884 661227548 /nfs/dbraw/zinc/22/75/48/661227548.db2.gz ZITNLFSUUHLJDZ-FFGOWVMKSA-N 2 1 316.489 3.038 10 0 DGAEMP CCn1cc(C[NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)cn1 ZINC000716710653 661227781 /nfs/dbraw/zinc/22/77/81/661227781.db2.gz FYCKYXBMJQHWSK-IHPCNDPISA-N 2 1 324.472 3.046 10 0 DGAEMP Cc1ccc(CC[N@@H+](C[C@@H]2CCCO2)C[C@]2(C)CC[NH2+]C2)cc1 ZINC000261958465 657257259 /nfs/dbraw/zinc/25/72/59/657257259.db2.gz GYAZTYXIPKYXRE-VQTJNVASSA-N 2 1 316.489 3.018 10 0 DGAEMP Cc1cc(C)cc([C@H](O)C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c1 ZINC000173870029 659403132 /nfs/dbraw/zinc/40/31/32/659403132.db2.gz KEOFDYLLZCBISA-UYAOXDASSA-N 2 1 316.489 3.145 10 0 DGAEMP Cc1cc(C)cc([C@H](O)C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c1 ZINC000173870029 659403136 /nfs/dbraw/zinc/40/31/36/659403136.db2.gz KEOFDYLLZCBISA-UYAOXDASSA-N 2 1 316.489 3.145 10 0 DGAEMP CO[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000718737258 662261141 /nfs/dbraw/zinc/26/11/41/662261141.db2.gz ISVOYORERLWEMZ-XUVXKRRUSA-N 2 1 316.489 3.446 10 0 DGAEMP C[C@H]1C[C@@H]([NH2+]CCc2ccns2)CC[N@H+]1Cc1ccccc1 ZINC000719847143 662298073 /nfs/dbraw/zinc/29/80/73/662298073.db2.gz AWVFGFULLHRREQ-RDJZCZTQSA-N 2 1 315.486 3.328 10 0 DGAEMP [NH2+]=C(NC[C@@H]1CCCC[N@H+]1Cc1ccccc1)NC1CCCC1 ZINC000379691161 685149422 /nfs/dbraw/zinc/14/94/22/685149422.db2.gz DDBXZSOSQYADAO-SFHVURJKSA-N 2 1 314.477 3.098 10 0 DGAEMP COC(C)(C)[C@H](C)[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000381774805 685159985 /nfs/dbraw/zinc/15/99/85/685159985.db2.gz ADVGTWXTKCYPJN-XYJFISCASA-N 2 1 304.478 3.300 10 0 DGAEMP COCC1(C[NH2+]C[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)CCC1 ZINC000381975965 685161708 /nfs/dbraw/zinc/16/17/08/685161708.db2.gz LOIKYWXNQQHZJN-LJQANCHMSA-N 2 1 316.489 3.305 10 0 DGAEMP C[Si](C)(C)C[N@@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000401530364 1199407019 /nfs/dbraw/zinc/40/70/19/1199407019.db2.gz ANSGLJVSJIYQFS-MSOLQXFVSA-N 2 1 302.538 3.318 10 0 DGAEMP C[Si](C)(C)C[N@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000401530364 1199407022 /nfs/dbraw/zinc/40/70/22/1199407022.db2.gz ANSGLJVSJIYQFS-MSOLQXFVSA-N 2 1 302.538 3.318 10 0 DGAEMP C[Si](C)(C)C[NH+]1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000401530364 1199407026 /nfs/dbraw/zinc/40/70/26/1199407026.db2.gz ANSGLJVSJIYQFS-MSOLQXFVSA-N 2 1 302.538 3.318 10 0 DGAEMP C[Si](C)(C)C[NH+]1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000401530364 1199407033 /nfs/dbraw/zinc/40/70/33/1199407033.db2.gz ANSGLJVSJIYQFS-MSOLQXFVSA-N 2 1 302.538 3.318 10 0 DGAEMP C=CCOc1ccc(C[NH2+]C[C@@H]2CC[N@H+](CC)C2)cc1Cl ZINC000236902154 1202635079 /nfs/dbraw/zinc/63/50/79/1202635079.db2.gz UDMRAZGWTPBXME-HNNXBMFYSA-N 2 1 308.853 3.336 10 0 DGAEMP C[C@@H]1OC[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)[C@@H]1C ZINC000405805836 1094437098 /nfs/dbraw/zinc/43/70/98/1094437098.db2.gz WNEPRNOMJJAEFV-CTRAYCPCSA-N 2 1 302.462 3.053 10 0 DGAEMP C[C@@H]1OC[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)[C@@H]1C ZINC000405805836 1094437101 /nfs/dbraw/zinc/43/71/01/1094437101.db2.gz WNEPRNOMJJAEFV-CTRAYCPCSA-N 2 1 302.462 3.053 10 0 DGAEMP C[C@H]([NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)c1cnccn1 ZINC000310470065 231113335 /nfs/dbraw/zinc/11/33/35/231113335.db2.gz BCSQWHFNJRZDRT-GDAAHCPNSA-N 2 1 322.456 3.038 10 0 DGAEMP C[C@H]([NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)c1cnccn1 ZINC000310470065 231113338 /nfs/dbraw/zinc/11/33/38/231113338.db2.gz BCSQWHFNJRZDRT-GDAAHCPNSA-N 2 1 322.456 3.038 10 0 DGAEMP c1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH2+]C[C@@H]4CCSC4)[C@H]3C2)cc1 ZINC000278745186 214371507 /nfs/dbraw/zinc/37/15/07/214371507.db2.gz MTDWWWCRMSPKJA-VJANTYMQSA-N 2 1 316.514 3.240 10 0 DGAEMP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccccc2OC2CCC2)[C@H](C)C1 ZINC000090027358 185278941 /nfs/dbraw/zinc/27/89/41/185278941.db2.gz CQCWQEQKUONZQF-QAPCUYQASA-N 2 1 302.462 3.438 10 0 DGAEMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccccc2OC2CCC2)[C@H](C)C1 ZINC000090027358 185278942 /nfs/dbraw/zinc/27/89/42/185278942.db2.gz CQCWQEQKUONZQF-QAPCUYQASA-N 2 1 302.462 3.438 10 0 DGAEMP Cc1cnn(C)c1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000286724367 219130770 /nfs/dbraw/zinc/13/07/70/219130770.db2.gz XIPNXJLORKQLDI-YQQQUEKLSA-N 2 1 324.472 3.014 10 0 DGAEMP Cc1cnn(C)c1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000286724367 219130772 /nfs/dbraw/zinc/13/07/72/219130772.db2.gz XIPNXJLORKQLDI-YQQQUEKLSA-N 2 1 324.472 3.014 10 0 DGAEMP COc1ccccc1C[C@@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)C(C)C ZINC000152474941 186077403 /nfs/dbraw/zinc/07/74/03/186077403.db2.gz LNUPTSMFSHUDCS-VQIMIIECSA-N 2 1 316.489 3.336 10 0 DGAEMP Cc1ccccc1[C@@H](C)[NH+]1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000130622623 432027618 /nfs/dbraw/zinc/02/76/18/432027618.db2.gz LQPNWSMSYTUGIL-MOPGFXCFSA-N 2 1 315.505 3.158 10 0 DGAEMP c1[nH]c(-c2ccccc2)nc1C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000180123898 432079466 /nfs/dbraw/zinc/07/94/66/432079466.db2.gz ZMIBOWQOYXUFQN-UHFFFAOYSA-N 2 1 324.472 3.385 10 0 DGAEMP c1nc(-c2ccccc2)[nH]c1C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000180123898 432079467 /nfs/dbraw/zinc/07/94/67/432079467.db2.gz ZMIBOWQOYXUFQN-UHFFFAOYSA-N 2 1 324.472 3.385 10 0 DGAEMP C[C@H]1CC(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)C[C@H](C)O1 ZINC000282160984 216789661 /nfs/dbraw/zinc/78/96/61/216789661.db2.gz IMCGTMDUPYNHOX-IRXDYDNUSA-N 2 1 316.489 3.444 10 0 DGAEMP CC[C@@H]([NH3+])[C@H](c1ccc(Br)cc1)n1cc[nH+]c1C ZINC000042955867 183321228 /nfs/dbraw/zinc/32/12/28/183321228.db2.gz FNYHZNGZSWLBII-KGLIPLIRSA-N 2 1 308.223 3.281 10 0 DGAEMP CC[C@H]([NH3+])[C@@H](c1ccc(Br)cc1)n1cc[nH+]c1C ZINC000042955858 183321906 /nfs/dbraw/zinc/32/19/06/183321906.db2.gz FNYHZNGZSWLBII-UONOGXRCSA-N 2 1 308.223 3.281 10 0 DGAEMP COc1cc([C@@H](C)[NH2+]CCCCn2cc[nH+]c2C)ccc1F ZINC000153973510 284704364 /nfs/dbraw/zinc/70/43/64/284704364.db2.gz HFKHEKLOPKKNKD-CYBMUJFWSA-N 2 1 305.397 3.470 10 0 DGAEMP C[N@H+](Cc1cccc(Br)c1)C[C@]1(C)CCC[NH2+]C1 ZINC000062862382 184256952 /nfs/dbraw/zinc/25/69/52/184256952.db2.gz GRPKBUIVTOKQHP-OAHLLOKOSA-N 2 1 311.267 3.271 10 0 DGAEMP C[N@@H+](Cc1cccc(Br)c1)C[C@]1(C)CCC[NH2+]C1 ZINC000062862382 184256954 /nfs/dbraw/zinc/25/69/54/184256954.db2.gz GRPKBUIVTOKQHP-OAHLLOKOSA-N 2 1 311.267 3.271 10 0 DGAEMP c1cc(C[NH+]2CCOCC2)ccc1C[NH2+][C@@H]1CC[C@H]1C1CCC1 ZINC000337993539 253206253 /nfs/dbraw/zinc/20/62/53/253206253.db2.gz JHROZSTXAHXZIA-VQTJNVASSA-N 2 1 314.473 3.187 10 0 DGAEMP c1ccc([C@@H]2CC[C@H](C[NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)O2)cc1 ZINC000344032686 254215792 /nfs/dbraw/zinc/21/57/92/254215792.db2.gz HYGCPDAWXKRZAD-HCXYKTFWSA-N 2 1 300.446 3.123 10 0 DGAEMP FC(F)(F)C1CCC([NH2+]C[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC000328641240 400183531 /nfs/dbraw/zinc/18/35/31/400183531.db2.gz QNAVYNFNNPWHPF-HIFPTAJRSA-N 2 1 301.356 3.156 10 0 DGAEMP C[C@](C[NH3+])([C@@H]1CCOC1)[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000306948746 400127501 /nfs/dbraw/zinc/12/75/01/400127501.db2.gz AAPXMHFNBYDJPZ-RTWAWAEBSA-N 2 1 324.468 3.443 10 0 DGAEMP Cc1cccc(NC[C@H]2CC[N@@H+](CCOCCC(C)C)C2)[nH+]1 ZINC000151112360 400669663 /nfs/dbraw/zinc/66/96/63/400669663.db2.gz BYUNXIKMLUAHPE-QGZVFWFLSA-N 2 1 305.466 3.187 10 0 DGAEMP Cc1cccc(NC[C@H]2CC[N@H+](CCOCCC(C)C)C2)[nH+]1 ZINC000151112360 400669666 /nfs/dbraw/zinc/66/96/66/400669666.db2.gz BYUNXIKMLUAHPE-QGZVFWFLSA-N 2 1 305.466 3.187 10 0 DGAEMP C[NH+]1CCC(N[C@H]2CCCCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000631679612 401532801 /nfs/dbraw/zinc/53/28/01/401532801.db2.gz KGMDBNPJHIQELR-FQEVSTJZSA-N 2 1 315.505 3.115 10 0 DGAEMP C[C@@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)[C@H]1CCCCO1 ZINC000623902124 401596532 /nfs/dbraw/zinc/59/65/32/401596532.db2.gz BBFHBSSYCGWSOI-IZBJGVDFSA-N 2 1 316.489 3.444 10 0 DGAEMP C[C@@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)[C@H]1CCCCO1 ZINC000623902124 401596536 /nfs/dbraw/zinc/59/65/36/401596536.db2.gz BBFHBSSYCGWSOI-IZBJGVDFSA-N 2 1 316.489 3.444 10 0 DGAEMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](c2ccc3[nH]c(=O)oc3c2)C(C)C)C1 ZINC000359284088 286275493 /nfs/dbraw/zinc/27/54/93/286275493.db2.gz YWTDOGVECTZGHF-SUMWQHHRSA-N 2 1 317.433 3.162 10 0 DGAEMP C[C@@H](NC[C@]1(C)CCC[N@H+]1Cc1ccccc1)c1cnn(C)c1 ZINC000187702838 165100363 /nfs/dbraw/zinc/10/03/63/165100363.db2.gz WKDFFPDJSZCOHX-APWZRJJASA-N 2 1 312.461 3.125 10 0 DGAEMP CCc1nccn1[C@@H]1CCC[N@@H+](C[C@H](O)C2CCCCC2)C1 ZINC000191342494 165244297 /nfs/dbraw/zinc/24/42/97/165244297.db2.gz MEGMJUCBCOBXBB-SJORKVTESA-N 2 1 305.466 3.024 10 0 DGAEMP CN(Cc1cccnc1)C[C@H]1CC[N@@H+](Cc2cccs2)C1 ZINC000190477123 432160614 /nfs/dbraw/zinc/16/06/14/432160614.db2.gz WYXOJJCXAQHVGK-MRXNPFEDSA-N 2 1 301.459 3.097 10 0 DGAEMP C[N@@H+](Cc1cccnc1)C[C@H]1CCN(Cc2cccs2)C1 ZINC000190477123 432160618 /nfs/dbraw/zinc/16/06/18/432160618.db2.gz WYXOJJCXAQHVGK-MRXNPFEDSA-N 2 1 301.459 3.097 10 0 DGAEMP Cc1cccc(NC[C@@H]2CC[N@H+](CCC(=O)c3ccccc3)C2)[nH+]1 ZINC000182329447 432178879 /nfs/dbraw/zinc/17/88/79/432178879.db2.gz NLYQCJUKFPUWJU-KRWDZBQOSA-N 2 1 323.440 3.397 10 0 DGAEMP Cc1cccc(NC[C@@H]2CC[N@@H+](CCC(=O)c3ccccc3)C2)[nH+]1 ZINC000182329447 432178881 /nfs/dbraw/zinc/17/88/81/432178881.db2.gz NLYQCJUKFPUWJU-KRWDZBQOSA-N 2 1 323.440 3.397 10 0 DGAEMP Cc1cc(NC[C@H](c2cccs2)[N@H+]2CCO[C@H](C)C2)cc[nH+]1 ZINC000302212339 230167077 /nfs/dbraw/zinc/16/70/77/230167077.db2.gz DUDRQYIICRCERY-GDBMZVCRSA-N 2 1 317.458 3.325 10 0 DGAEMP Cc1cc(NC[C@H](c2cccs2)[N@@H+]2CCO[C@H](C)C2)cc[nH+]1 ZINC000302212339 230167082 /nfs/dbraw/zinc/16/70/82/230167082.db2.gz DUDRQYIICRCERY-GDBMZVCRSA-N 2 1 317.458 3.325 10 0 DGAEMP c1nc2c(n1[C@H]1CC[N@H+](Cc3nc4ccccc4[nH]3)C1)CCCC2 ZINC000347277914 264189159 /nfs/dbraw/zinc/18/91/59/264189159.db2.gz CUAZTXMRPFTTEC-AWEZNQCLSA-N 2 1 321.428 3.085 10 0 DGAEMP C[C@@H]1CC(CC[N@@H+](C)CCCN2CC[NH+](C)CC2)C[C@@H](C)C1 ZINC000182950097 432245169 /nfs/dbraw/zinc/24/51/69/432245169.db2.gz RZRUFDPUADKTQK-ROUUACIJSA-N 2 1 309.542 3.018 10 0 DGAEMP COCCCC[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000247966190 432255645 /nfs/dbraw/zinc/25/56/45/432255645.db2.gz GUOKFMJXAYDROP-VQTJNVASSA-N 2 1 316.489 3.400 10 0 DGAEMP COCCCC[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000247966190 432255648 /nfs/dbraw/zinc/25/56/48/432255648.db2.gz GUOKFMJXAYDROP-VQTJNVASSA-N 2 1 316.489 3.400 10 0 DGAEMP COCCCC[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000247966190 432255652 /nfs/dbraw/zinc/25/56/52/432255652.db2.gz GUOKFMJXAYDROP-VQTJNVASSA-N 2 1 316.489 3.400 10 0 DGAEMP CC[N@H+]1CC[C@@H]([NH+](C)CCOc2ccc(SC)cc2)[C@H](C)C1 ZINC000079462136 431726822 /nfs/dbraw/zinc/72/68/22/431726822.db2.gz DDDLBTLOJQXKNO-CRAIPNDOSA-N 2 1 322.518 3.449 10 0 DGAEMP CC[NH+]1CC[C@@H]([N@H+](C)CCOc2ccc(SC)cc2)[C@H](C)C1 ZINC000079462136 431726828 /nfs/dbraw/zinc/72/68/28/431726828.db2.gz DDDLBTLOJQXKNO-CRAIPNDOSA-N 2 1 322.518 3.449 10 0 DGAEMP CC[NH+]1CC[C@@H]([N@@H+](C)CCOc2ccc(SC)cc2)[C@H](C)C1 ZINC000079462136 431726842 /nfs/dbraw/zinc/72/68/42/431726842.db2.gz DDDLBTLOJQXKNO-CRAIPNDOSA-N 2 1 322.518 3.449 10 0 DGAEMP CC[N@H+]1CC[C@@H]([NH+](C)CCCCCn2cc(C)cn2)[C@H](C)C1 ZINC000079461565 431727033 /nfs/dbraw/zinc/72/70/33/431727033.db2.gz ZCBYTDIZKWXALV-QZTJIDSGSA-N 2 1 306.498 3.024 10 0 DGAEMP CC[NH+]1CC[C@@H]([N@H+](C)CCCCCn2cc(C)cn2)[C@H](C)C1 ZINC000079461565 431727037 /nfs/dbraw/zinc/72/70/37/431727037.db2.gz ZCBYTDIZKWXALV-QZTJIDSGSA-N 2 1 306.498 3.024 10 0 DGAEMP CC[NH+]1CC[C@@H]([N@@H+](C)CCCCCn2cc(C)cn2)[C@H](C)C1 ZINC000079461565 431727043 /nfs/dbraw/zinc/72/70/43/431727043.db2.gz ZCBYTDIZKWXALV-QZTJIDSGSA-N 2 1 306.498 3.024 10 0 DGAEMP CC[N@H+]1CC[C@@H]([NH+](C)CCCOc2ccc(F)cc2)[C@H](C)C1 ZINC000081095146 431782217 /nfs/dbraw/zinc/78/22/17/431782217.db2.gz MVGAEBSQVJQQNK-CRAIPNDOSA-N 2 1 308.441 3.257 10 0 DGAEMP CC[NH+]1CC[C@@H]([N@H+](C)CCCOc2ccc(F)cc2)[C@H](C)C1 ZINC000081095146 431782224 /nfs/dbraw/zinc/78/22/24/431782224.db2.gz MVGAEBSQVJQQNK-CRAIPNDOSA-N 2 1 308.441 3.257 10 0 DGAEMP CC[C@@H]1CCC[C@@H](C[NH+]2CCN(C[C@H]3CCCC[N@H+]3C)CC2)C1 ZINC000248490865 432296958 /nfs/dbraw/zinc/29/69/58/432296958.db2.gz NQNMQRKODDXUOH-VAMGGRTRSA-N 2 1 321.553 3.305 10 0 DGAEMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CCC(=O)OC(C)C)cc1 ZINC000183155405 432263348 /nfs/dbraw/zinc/26/33/48/432263348.db2.gz KKSVVDPGRIQHGY-CQSZACIVSA-N 2 1 315.417 3.173 10 0 DGAEMP COCCC1(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)CCCCC1 ZINC000249846630 432360654 /nfs/dbraw/zinc/36/06/54/432360654.db2.gz OLQXXOILIUYQSS-ZWKOTPCHSA-N 2 1 308.510 3.390 10 0 DGAEMP COCCC1(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)CCCCC1 ZINC000249846630 432360658 /nfs/dbraw/zinc/36/06/58/432360658.db2.gz OLQXXOILIUYQSS-ZWKOTPCHSA-N 2 1 308.510 3.390 10 0 DGAEMP COCCC1(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)CCCCC1 ZINC000249846630 432360661 /nfs/dbraw/zinc/36/06/61/432360661.db2.gz OLQXXOILIUYQSS-ZWKOTPCHSA-N 2 1 308.510 3.390 10 0 DGAEMP O[C@H](CNc1cc[nH+]c2cc(Cl)ccc12)C[NH+]1CCCCC1 ZINC000174684855 432364022 /nfs/dbraw/zinc/36/40/22/432364022.db2.gz GAHODKFDGVSBGX-CQSZACIVSA-N 2 1 319.836 3.147 10 0 DGAEMP COc1cc(C[N@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)ccc1C ZINC000261799899 432451492 /nfs/dbraw/zinc/45/14/92/432451492.db2.gz GWXGOOZOKKEGAP-MOPGFXCFSA-N 2 1 310.441 3.178 10 0 DGAEMP c1sc2ccccc2c1C[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1 ZINC000261839509 432453827 /nfs/dbraw/zinc/45/38/27/432453827.db2.gz AGMVJKNWNBLLJN-BRWVUGGUSA-N 2 1 316.470 3.148 10 0 DGAEMP CN(Cc1ncc(-c2cccc(F)c2)o1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000175258893 432416963 /nfs/dbraw/zinc/41/69/63/432416963.db2.gz HMWYALBVRJRKGO-CQSZACIVSA-N 2 1 317.408 3.254 10 0 DGAEMP Cc1ccccc1C(C)(C)C[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1 ZINC000261948951 432462916 /nfs/dbraw/zinc/46/29/16/432462916.db2.gz NZTWGUVVMJYKAF-QXAKKESOSA-N 2 1 316.489 3.019 10 0 DGAEMP C[C@@H]1C[C@H](N(C)Cc2ncc(-c3cccc(F)c3)o2)CC[N@H+]1C ZINC000177688399 432650548 /nfs/dbraw/zinc/65/05/48/432650548.db2.gz YXCBOSXQZCBZFU-CZUORRHYSA-N 2 1 317.408 3.395 10 0 DGAEMP Cc1nccnc1[C@H](C)[NH2+][C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000188444770 432725816 /nfs/dbraw/zinc/72/58/16/432725816.db2.gz PLKHFDPHTAMXQC-VNQPRFMTSA-N 2 1 302.466 3.089 10 0 DGAEMP Cc1nccnc1[C@H](C)[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000188444770 432725819 /nfs/dbraw/zinc/72/58/19/432725819.db2.gz PLKHFDPHTAMXQC-VNQPRFMTSA-N 2 1 302.466 3.089 10 0 DGAEMP CC[C@H](c1ccccc1)[N@@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000245433828 432830957 /nfs/dbraw/zinc/83/09/57/432830957.db2.gz PLOFGTOMDWDXNM-WOJBJXKFSA-N 2 1 315.505 3.240 10 0 DGAEMP CC[C@H](c1ccccc1)[N@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000245433828 432830960 /nfs/dbraw/zinc/83/09/60/432830960.db2.gz PLOFGTOMDWDXNM-WOJBJXKFSA-N 2 1 315.505 3.240 10 0 DGAEMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(OC(F)F)cc2)[C@@H](C)C1 ZINC000245446035 432831716 /nfs/dbraw/zinc/83/17/16/432831716.db2.gz ZLBRVGLTYJQPHZ-BBRMVZONSA-N 2 1 312.404 3.450 10 0 DGAEMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(OC(F)F)cc2)[C@@H](C)C1 ZINC000245446035 432831719 /nfs/dbraw/zinc/83/17/19/432831719.db2.gz ZLBRVGLTYJQPHZ-BBRMVZONSA-N 2 1 312.404 3.450 10 0 DGAEMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(OC(F)F)cc2)[C@@H](C)C1 ZINC000245446035 432831720 /nfs/dbraw/zinc/83/17/20/432831720.db2.gz ZLBRVGLTYJQPHZ-BBRMVZONSA-N 2 1 312.404 3.450 10 0 DGAEMP CCCn1c2ccccc2nc1CN(C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000245765144 432862181 /nfs/dbraw/zinc/86/21/81/432862181.db2.gz QPHJIVNKGODWCW-JKSUJKDBSA-N 2 1 314.477 3.361 10 0 DGAEMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H](C)c2ccc(OC)cc2)[C@@H](C)C1 ZINC000245873731 432867323 /nfs/dbraw/zinc/86/73/23/432867323.db2.gz SJXGESJNWMQGCI-BXWFABGCSA-N 2 1 304.478 3.461 10 0 DGAEMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H](C)c2ccc(OC)cc2)[C@@H](C)C1 ZINC000245873731 432867324 /nfs/dbraw/zinc/86/73/24/432867324.db2.gz SJXGESJNWMQGCI-BXWFABGCSA-N 2 1 304.478 3.461 10 0 DGAEMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H](C)c2ccc(OC)cc2)[C@@H](C)C1 ZINC000245873731 432867326 /nfs/dbraw/zinc/86/73/26/432867326.db2.gz SJXGESJNWMQGCI-BXWFABGCSA-N 2 1 304.478 3.461 10 0 DGAEMP CCc1nccn1[C@@H]1CCC[N@@H+](CCCCn2ccnc2C)C1 ZINC000163072124 432842089 /nfs/dbraw/zinc/84/20/89/432842089.db2.gz CXKRCYVRMSBNNZ-QGZVFWFLSA-N 3 1 315.465 3.068 10 0 DGAEMP CCc1nccn1[C@@H]1CCC[N@H+](CCCCn2cc[nH+]c2C)C1 ZINC000163072124 432842092 /nfs/dbraw/zinc/84/20/92/432842092.db2.gz CXKRCYVRMSBNNZ-QGZVFWFLSA-N 3 1 315.465 3.068 10 0 DGAEMP CCc1nccn1[C@@H]1CCC[N@@H+](CCCCn2cc[nH+]c2C)C1 ZINC000163072124 432842094 /nfs/dbraw/zinc/84/20/94/432842094.db2.gz CXKRCYVRMSBNNZ-QGZVFWFLSA-N 2 1 315.465 3.068 10 0 DGAEMP Cc1cccc(Cl)c1NC(=O)CN(C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000245693634 432856376 /nfs/dbraw/zinc/85/63/76/432856376.db2.gz UZVVVHRNRHBSRD-UONOGXRCSA-N 2 1 323.868 3.001 10 0 DGAEMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(C)(C)C(C)(C)O ZINC000453344822 433109752 /nfs/dbraw/zinc/10/97/52/433109752.db2.gz FCLCYHFHHLVLKG-WMZOPIPTSA-N 2 1 318.505 3.284 10 0 DGAEMP C[C@@H]1CC[C@H](C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)O1 ZINC000453410396 433164517 /nfs/dbraw/zinc/16/45/17/433164517.db2.gz PJHHWVHGDFEGAB-RACLHMPKSA-N 2 1 314.473 3.339 10 0 DGAEMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H]1CCC[C@@H](O)C1 ZINC000361887410 433439806 /nfs/dbraw/zinc/43/98/06/433439806.db2.gz OUALOBGGHYJDEW-MDNKFWRPSA-N 2 1 316.489 3.038 10 0 DGAEMP CO[C@@H]1CCC[C@H]1[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000370525862 293175628 /nfs/dbraw/zinc/17/56/28/293175628.db2.gz ASDMFLNBZLUKPS-OUUBHVDSSA-N 2 1 314.473 3.339 10 0 DGAEMP C[C@@H]1CSC[C@@H]1[NH2+]C[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000449156500 433728061 /nfs/dbraw/zinc/72/80/61/433728061.db2.gz DPLSBSCMWLYVSL-ORIJERBGSA-N 2 1 310.532 3.472 10 0 DGAEMP C[C@@H]1CSC[C@@H]1[NH2+]C[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000449156500 433728073 /nfs/dbraw/zinc/72/80/73/433728073.db2.gz DPLSBSCMWLYVSL-ORIJERBGSA-N 2 1 310.532 3.472 10 0 DGAEMP CC(C)(C)[C@@H](O)C[NH2+]C[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000310020184 434107126 /nfs/dbraw/zinc/10/71/26/434107126.db2.gz RCGMBUOICCCLGN-OALUTQOASA-N 2 1 318.505 3.285 10 0 DGAEMP CC[C@@H](O)CCC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000499249064 294082353 /nfs/dbraw/zinc/08/23/53/294082353.db2.gz JASHGHDUERMHCZ-YSTOQKLRSA-N 2 1 316.489 3.323 10 0 DGAEMP CSCC[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000378301397 434131302 /nfs/dbraw/zinc/13/13/02/434131302.db2.gz KBBKBEPTSGIGKR-UHFFFAOYSA-N 2 1 304.503 3.338 10 0 DGAEMP COC[C@@H](C)C[NH2+]C[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000390769537 434364880 /nfs/dbraw/zinc/36/48/80/434364880.db2.gz KGQSMCKPVYOEEH-HKUYNNGSSA-N 2 1 304.478 3.161 10 0 DGAEMP C[C@@H](Cc1ccc(Br)cc1)[NH2+][C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000399027137 434468714 /nfs/dbraw/zinc/46/87/14/434468714.db2.gz HRERVSMXZLDKEA-TYNCELHUSA-N 2 1 311.267 3.110 10 0 DGAEMP Cc1ccc(CC[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)nc1 ZINC000399678050 434478304 /nfs/dbraw/zinc/47/83/04/434478304.db2.gz PCHHSPPGIBYHNN-RXVVDRJESA-N 2 1 323.484 3.433 10 0 DGAEMP CCC[C@H](C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)OC ZINC000398113863 434457075 /nfs/dbraw/zinc/45/70/75/434457075.db2.gz DYNODGJBMMPAAB-QRQLOZEOSA-N 2 1 304.478 3.302 10 0 DGAEMP COc1ccc(OC)c([C@H]2CCC[N@@H+]2CC[C@@H]2CCC[NH+]2C)c1 ZINC000124738551 295183430 /nfs/dbraw/zinc/18/34/30/295183430.db2.gz NLKCIBOTSLRUMP-MAUKXSAKSA-N 2 1 318.461 3.325 10 0 DGAEMP COc1ccc(OC)c([C@H]2CCC[N@H+]2CC[C@@H]2CCC[NH+]2C)c1 ZINC000124738551 295183431 /nfs/dbraw/zinc/18/34/31/295183431.db2.gz NLKCIBOTSLRUMP-MAUKXSAKSA-N 2 1 318.461 3.325 10 0 DGAEMP COc1ccc(OC)c([C@H]2CCC[NH+]2CC[C@@H]2CCC[N@@H+]2C)c1 ZINC000124738551 295183432 /nfs/dbraw/zinc/18/34/32/295183432.db2.gz NLKCIBOTSLRUMP-MAUKXSAKSA-N 2 1 318.461 3.325 10 0 DGAEMP COc1ccc(OC)c([C@H]2CCC[NH+]2CC[C@@H]2CCC[N@H+]2C)c1 ZINC000124738551 295183433 /nfs/dbraw/zinc/18/34/33/295183433.db2.gz NLKCIBOTSLRUMP-MAUKXSAKSA-N 2 1 318.461 3.325 10 0 DGAEMP Cc1ccc(CC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)cn1 ZINC000531715162 435113862 /nfs/dbraw/zinc/11/38/62/435113862.db2.gz REUYNYAZDRAAAQ-UWJYYQICSA-N 2 1 323.484 3.433 10 0 DGAEMP Cc1ccc(CC[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)cn1 ZINC000531715162 435113864 /nfs/dbraw/zinc/11/38/64/435113864.db2.gz REUYNYAZDRAAAQ-UWJYYQICSA-N 2 1 323.484 3.433 10 0 DGAEMP C[C@@H]1C[C@@H]([N@@H+](C)C[C@H](O)C(C)(C)C)CCN1Cc1ccccc1 ZINC000559793251 435139419 /nfs/dbraw/zinc/13/94/19/435139419.db2.gz LTFYDCIFSDQJMO-NEWSRXKRSA-N 2 1 318.505 3.378 10 0 DGAEMP C[C@@H]1C[C@@H]([NH+](C)C[C@H](O)C(C)(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000559793251 435139421 /nfs/dbraw/zinc/13/94/21/435139421.db2.gz LTFYDCIFSDQJMO-NEWSRXKRSA-N 2 1 318.505 3.378 10 0 DGAEMP C[C@@H]1C[C@@H]([NH+](C)C[C@H](O)C(C)(C)C)CC[N@H+]1Cc1ccccc1 ZINC000559793251 435139426 /nfs/dbraw/zinc/13/94/26/435139426.db2.gz LTFYDCIFSDQJMO-NEWSRXKRSA-N 2 1 318.505 3.378 10 0 DGAEMP C[C@@H]1C[C@@H]([N@H+](C)C[C@H](O)C(C)(C)C)CC[NH+]1Cc1ccccc1 ZINC000559793251 435139427 /nfs/dbraw/zinc/13/94/27/435139427.db2.gz LTFYDCIFSDQJMO-NEWSRXKRSA-N 2 1 318.505 3.378 10 0 DGAEMP C[C@@H]1C[C@@H]([N@@H+](C)C[C@H](O)C(C)(C)C)CC[NH+]1Cc1ccccc1 ZINC000559793251 435139431 /nfs/dbraw/zinc/13/94/31/435139431.db2.gz LTFYDCIFSDQJMO-NEWSRXKRSA-N 2 1 318.505 3.378 10 0 DGAEMP C[C@@H]1C[C@@H]([N@@H+](C)C[C@@H](O)C(C)(C)C)CCN1Cc1ccccc1 ZINC000559793253 435139792 /nfs/dbraw/zinc/13/97/92/435139792.db2.gz LTFYDCIFSDQJMO-NZSAHSFTSA-N 2 1 318.505 3.378 10 0 DGAEMP C[C@@H]1C[C@@H]([NH+](C)C[C@@H](O)C(C)(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000559793253 435139797 /nfs/dbraw/zinc/13/97/97/435139797.db2.gz LTFYDCIFSDQJMO-NZSAHSFTSA-N 2 1 318.505 3.378 10 0 DGAEMP C[C@@H]1C[C@@H]([NH+](C)C[C@@H](O)C(C)(C)C)CC[N@H+]1Cc1ccccc1 ZINC000559793253 435139800 /nfs/dbraw/zinc/13/98/00/435139800.db2.gz LTFYDCIFSDQJMO-NZSAHSFTSA-N 2 1 318.505 3.378 10 0 DGAEMP C[C@@H]1C[C@@H]([N@H+](C)C[C@@H](O)C(C)(C)C)CC[NH+]1Cc1ccccc1 ZINC000559793253 435139805 /nfs/dbraw/zinc/13/98/05/435139805.db2.gz LTFYDCIFSDQJMO-NZSAHSFTSA-N 2 1 318.505 3.378 10 0 DGAEMP C[C@@H]1C[C@@H]([N@@H+](C)C[C@@H](O)C(C)(C)C)CC[NH+]1Cc1ccccc1 ZINC000559793253 435139810 /nfs/dbraw/zinc/13/98/10/435139810.db2.gz LTFYDCIFSDQJMO-NZSAHSFTSA-N 2 1 318.505 3.378 10 0 DGAEMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2ccc3c(c2)OCCO3)CC1 ZINC000532950097 435201526 /nfs/dbraw/zinc/20/15/26/435201526.db2.gz ZMLBTNJIBPYYQK-UHFFFAOYSA-N 2 1 318.461 3.010 10 0 DGAEMP C[C@H]([NH2+]Cc1cc(Cl)ccc1Br)[C@@H]1CC[NH2+]C1 ZINC000569223334 435513593 /nfs/dbraw/zinc/51/35/93/435513593.db2.gz WABOBOBIQYSDPP-VHSXEESVSA-N 2 1 317.658 3.190 10 0 DGAEMP CC[NH+](CC)CCC[N@@H+]1CCC[C@H](CC(=O)OC(C)(C)C)C1 ZINC000549141435 435743537 /nfs/dbraw/zinc/74/35/37/435743537.db2.gz LQOMJTRVUAIXBM-MRXNPFEDSA-N 2 1 312.498 3.162 10 0 DGAEMP CC[NH+](CC)CCC[N@H+]1CCC[C@H](CC(=O)OC(C)(C)C)C1 ZINC000549141435 435743545 /nfs/dbraw/zinc/74/35/45/435743545.db2.gz LQOMJTRVUAIXBM-MRXNPFEDSA-N 2 1 312.498 3.162 10 0 DGAEMP C[C@H](NCC1([N@@H+](C)Cc2ccccc2)CCC1)[C@@H]1CCC[NH2+]C1 ZINC000578004964 316293168 /nfs/dbraw/zinc/29/31/68/316293168.db2.gz SSZWJWNKRVZGBT-PKOBYXMFSA-N 2 1 315.505 3.019 10 0 DGAEMP C[C@H]([NH2+]CC1(N(C)Cc2ccccc2)CCC1)[C@@H]1CCC[NH2+]C1 ZINC000578004964 316293172 /nfs/dbraw/zinc/29/31/72/316293172.db2.gz SSZWJWNKRVZGBT-PKOBYXMFSA-N 2 1 315.505 3.019 10 0 DGAEMP C[C@@H](NCC1([N@@H+](C)Cc2ccccc2)CCC1)[C@@H]1CCC[NH2+]C1 ZINC000578004962 316293339 /nfs/dbraw/zinc/29/33/39/316293339.db2.gz SSZWJWNKRVZGBT-IEBWSBKVSA-N 2 1 315.505 3.019 10 0 DGAEMP C[C@@H]([NH2+]CC1(N(C)Cc2ccccc2)CCC1)[C@@H]1CCC[NH2+]C1 ZINC000578004962 316293341 /nfs/dbraw/zinc/29/33/41/316293341.db2.gz SSZWJWNKRVZGBT-IEBWSBKVSA-N 2 1 315.505 3.019 10 0 DGAEMP C[C@H]([NH2+]CCOC(C)(C)C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000381305403 546739618 /nfs/dbraw/zinc/73/96/18/546739618.db2.gz JSFJQWXHQWNWNY-WMZOPIPTSA-N 2 1 304.478 3.302 10 0 DGAEMP c1csc(C[N@H+]2CCC[C@@H](C[NH2+][C@@H]3CCCSC3)C2)c1 ZINC000131314370 626623614 /nfs/dbraw/zinc/62/36/14/626623614.db2.gz AAEOGANRTFYMCE-LSDHHAIUSA-N 2 1 310.532 3.445 10 0 DGAEMP c1csc(C[N@@H+]2CCC[C@@H](C[NH2+][C@@H]3CCCSC3)C2)c1 ZINC000131314370 626623616 /nfs/dbraw/zinc/62/36/16/626623616.db2.gz AAEOGANRTFYMCE-LSDHHAIUSA-N 2 1 310.532 3.445 10 0 DGAEMP COC1CC(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)C1 ZINC000703888326 660795370 /nfs/dbraw/zinc/79/53/70/660795370.db2.gz BPKKRDFHAHVLPF-ACBHZAAOSA-N 2 1 316.489 3.302 10 0 DGAEMP COC1CC(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)C1 ZINC000703888326 660795372 /nfs/dbraw/zinc/79/53/72/660795372.db2.gz BPKKRDFHAHVLPF-ACBHZAAOSA-N 2 1 316.489 3.302 10 0 DGAEMP C[C@H]([NH2+]C[C@H]1CC(C)(C)CO1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000708407158 660920914 /nfs/dbraw/zinc/92/09/14/660920914.db2.gz XNXNPRIOZNNAJY-YTQUADARSA-N 2 1 316.489 3.302 10 0 DGAEMP C[C@@H]1C[N@@H+](Cc2csc(-c3ccsc3)n2)C[C@H]1CC[NH3+] ZINC000723903515 655729427 /nfs/dbraw/zinc/72/94/27/655729427.db2.gz WZICXQLZTLMHQL-VXGBXAGGSA-N 2 1 307.488 3.288 10 0 DGAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cn1cnc2cc(C)c(C)cc21 ZINC000176081426 655732145 /nfs/dbraw/zinc/73/21/45/655732145.db2.gz ASGLHRDNPOZTSX-KRWDZBQOSA-N 2 1 323.444 3.280 10 0 DGAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cn1cnc2cc(C)c(C)cc21 ZINC000176081426 655732146 /nfs/dbraw/zinc/73/21/46/655732146.db2.gz ASGLHRDNPOZTSX-KRWDZBQOSA-N 2 1 323.444 3.280 10 0 DGAEMP C[C@@H]1C[C@@H]([NH2+]CCc2sccc2Br)CC[N@H+]1C ZINC000713116235 661190334 /nfs/dbraw/zinc/19/03/34/661190334.db2.gz OAXJKXFRWRZNTD-MNOVXSKESA-N 2 1 317.296 3.125 10 0 DGAEMP OCCCCCC[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000309755100 655881571 /nfs/dbraw/zinc/88/15/71/655881571.db2.gz BRXYBHMRADUKIA-HSALFYBXSA-N 2 1 316.489 3.039 10 0 DGAEMP COCC1CC([NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)C1 ZINC000716620376 661224999 /nfs/dbraw/zinc/22/49/99/661224999.db2.gz MOURXUNBNFVFNM-AHTIFJERSA-N 2 1 314.473 3.054 10 0 DGAEMP CC[C@@H](CCO)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716620228 661225037 /nfs/dbraw/zinc/22/50/37/661225037.db2.gz MGFYMRKKQSBOBH-FFGOWVMKSA-N 2 1 316.489 3.038 10 0 DGAEMP CC(C)C[C@H](CO)[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716620038 661225127 /nfs/dbraw/zinc/22/51/27/661225127.db2.gz KPBYOVDSWOGHPT-NMLBUPMWSA-N 2 1 316.489 3.036 10 0 DGAEMP CS[C@@H](C)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716625104 661225165 /nfs/dbraw/zinc/22/51/65/661225165.db2.gz LQKXOSOUPHKSBY-DKIMLUQUSA-N 2 1 304.503 3.381 10 0 DGAEMP C[C@H]([NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2)[C@H]1CCCO1 ZINC000716662774 661226044 /nfs/dbraw/zinc/22/60/44/661226044.db2.gz PZMZIWLQRBSUQK-MVBLQPKNSA-N 2 1 314.473 3.197 10 0 DGAEMP CC(C)(C)OCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716648973 661226169 /nfs/dbraw/zinc/22/61/69/661226169.db2.gz GUKLNKBUGMREGR-FHWLQOOXSA-N 2 1 316.489 3.444 10 0 DGAEMP C[C@@H]1CSC[C@H]1[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716671649 661226209 /nfs/dbraw/zinc/22/62/09/661226209.db2.gz HKWINKYCTZXHBE-LZBKUMLDSA-N 2 1 316.514 3.381 10 0 DGAEMP CC[C@H](C[C@H](C)O)[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716641231 661226298 /nfs/dbraw/zinc/22/62/98/661226298.db2.gz YDVCTEKCQJJZTQ-FLNBYBTLSA-N 2 1 316.489 3.179 10 0 DGAEMP COCC[C@@H](C)[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716678659 661226730 /nfs/dbraw/zinc/22/67/30/661226730.db2.gz ABSWBJUAIHVRLM-BVBHFADKSA-N 2 1 302.462 3.054 10 0 DGAEMP CC[C@H](O)CCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716681581 661227559 /nfs/dbraw/zinc/22/75/59/661227559.db2.gz MFECBEKTEBGYSH-MUGJNUQGSA-N 2 1 316.489 3.180 10 0 DGAEMP C[N@@H+](CCC[NH2+][C@@H]1CC[C@H]2COCC[C@H]2C1)Cc1ccccc1 ZINC000723643274 656498384 /nfs/dbraw/zinc/49/83/84/656498384.db2.gz FWWOIKUOOMUQMK-SLFFLAALSA-N 2 1 316.489 3.303 10 0 DGAEMP CCOc1ccccc1C[N@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261811104 657110955 /nfs/dbraw/zinc/11/09/55/657110955.db2.gz WYNDLEQGEIWUNP-MOPGFXCFSA-N 2 1 310.441 3.260 10 0 DGAEMP C[C@@]1(C[N@H+]2CC[C@@H](c3cccc(C(F)(F)F)c3)C2)CC[NH2+]C1 ZINC000261927913 657200020 /nfs/dbraw/zinc/20/00/20/657200020.db2.gz CJQXIKYLLDZBPO-GDBMZVCRSA-N 2 1 312.379 3.494 10 0 DGAEMP [NH3+]C[C@@H]1C[N@@H+](CCOC2CCCCCC2)C[C@H]1c1ccccc1 ZINC000262145867 657404765 /nfs/dbraw/zinc/40/47/65/657404765.db2.gz FKRGKUQUQUSXNA-QUCCMNQESA-N 2 1 316.489 3.400 10 0 DGAEMP [NH3+]CC[C@H]1CCC[N@@H+](Cc2cccc(F)c2Br)C1 ZINC000157009641 658976501 /nfs/dbraw/zinc/97/65/01/658976501.db2.gz DAJQUWGYBKVYBG-LLVKDONJSA-N 2 1 315.230 3.149 10 0 DGAEMP COCC(C)(C)CC[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000718711999 662260379 /nfs/dbraw/zinc/26/03/79/662260379.db2.gz ZIIAROYCRKJBAL-UHFFFAOYSA-N 2 1 304.478 3.303 10 0 DGAEMP CCC[C@H](C)C[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000390723579 685204321 /nfs/dbraw/zinc/20/43/21/685204321.db2.gz ZVZUBYZUEMHAME-HKUYNNGSSA-N 2 1 304.478 3.303 10 0 DGAEMP CCC[C@H](C)C[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000390723579 685204330 /nfs/dbraw/zinc/20/43/30/685204330.db2.gz ZVZUBYZUEMHAME-HKUYNNGSSA-N 2 1 304.478 3.303 10 0 DGAEMP Cc1ncc(C[NH2+]CC[C@H](C)[N@H+](C)Cc2ccccc2)s1 ZINC000379641875 1108034062 /nfs/dbraw/zinc/03/40/62/1108034062.db2.gz YPYKXSDZEXRPKI-AWEZNQCLSA-N 2 1 303.475 3.452 10 0 DGAEMP Cc1ncc(C[NH2+]CC[C@H](C)[N@@H+](C)Cc2ccccc2)s1 ZINC000379641875 1108034075 /nfs/dbraw/zinc/03/40/75/1108034075.db2.gz YPYKXSDZEXRPKI-AWEZNQCLSA-N 2 1 303.475 3.452 10 0 DGAEMP CO[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000309905301 231107885 /nfs/dbraw/zinc/10/78/85/231107885.db2.gz JWULKHHLDRANEC-MFKWGIFDSA-N 2 1 314.473 3.054 10 0 DGAEMP CC(C)=CC[N@H+](C)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000106127808 432020158 /nfs/dbraw/zinc/02/01/58/432020158.db2.gz UQLSEUZVTONOMP-HXUWFJFHSA-N 2 1 316.489 3.330 10 0 DGAEMP C[C@@H]1CCC[C@@H](CC[NH+]2CCN(C[C@H]3CCCC[N@H+]3C)CC2)C1 ZINC000246203375 432107011 /nfs/dbraw/zinc/10/70/11/432107011.db2.gz JJZMNZULLRGTNZ-HSALFYBXSA-N 2 1 321.553 3.305 10 0 DGAEMP CC[C@H](N[C@@H]1C[N@@H+](C(C)C)C[C@H]1C)c1ccc2c(c1)OCCO2 ZINC000246247075 432111811 /nfs/dbraw/zinc/11/18/11/432111811.db2.gz OXOWHBCLQBDKHE-HYVNUMGLSA-N 2 1 318.461 3.227 10 0 DGAEMP COc1ccc2oc(C[N@H+](C)[C@H]3CC[NH+](C)[C@@H](C)C3)cc2c1 ZINC000093645098 193282046 /nfs/dbraw/zinc/28/20/46/193282046.db2.gz QJFWBYFTEOOWHS-ZFWWWQNUSA-N 2 1 302.418 3.356 10 0 DGAEMP COc1ccc2oc(C[N@@H+](C)[C@H]3CC[NH+](C)[C@@H](C)C3)cc2c1 ZINC000093645098 193282048 /nfs/dbraw/zinc/28/20/48/193282048.db2.gz QJFWBYFTEOOWHS-ZFWWWQNUSA-N 2 1 302.418 3.356 10 0 DGAEMP COc1ccc2oc(C[NH+](C)[C@H]3CC[N@H+](C)[C@@H](C)C3)cc2c1 ZINC000093645098 193282050 /nfs/dbraw/zinc/28/20/50/193282050.db2.gz QJFWBYFTEOOWHS-ZFWWWQNUSA-N 2 1 302.418 3.356 10 0 DGAEMP COc1ccc2oc(C[NH+](C)[C@H]3CC[N@@H+](C)[C@@H](C)C3)cc2c1 ZINC000093645098 193282052 /nfs/dbraw/zinc/28/20/52/193282052.db2.gz QJFWBYFTEOOWHS-ZFWWWQNUSA-N 2 1 302.418 3.356 10 0 DGAEMP C[N@H+]1CCCN(CCC[NH2+][C@@H]2CCCC[C@@H]2C(C)(C)C)CC1 ZINC000128477953 284376906 /nfs/dbraw/zinc/37/69/06/284376906.db2.gz NFWOVUFGMQESQH-ZWKOTPCHSA-N 2 1 309.542 3.209 10 0 DGAEMP CC[C@@H]1CCC[C@@H](C[N@@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)C1 ZINC000248487363 285001414 /nfs/dbraw/zinc/00/14/14/285001414.db2.gz LSJPZNMKAPRJPZ-YQVWRLOYSA-N 2 1 310.526 3.227 10 0 DGAEMP COC[C@@H](C)C[NH2+][C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000249768946 285088014 /nfs/dbraw/zinc/08/80/14/285088014.db2.gz JCODTVMLNSAWOT-IMBTUZDBSA-N 2 1 304.478 3.015 10 0 DGAEMP Cc1nc2ccc(C[N@H+]3C[C@@H]4CCC[C@@H]([NH3+])[C@H]4C3)cc2s1 ZINC000261819338 285193483 /nfs/dbraw/zinc/19/34/83/285193483.db2.gz IGAGUFPDNWEVQC-SOUVJXGZSA-N 2 1 301.459 3.164 10 0 DGAEMP Cc1nc2ccc(C[N@H+]3C[C@@H]4CCC[C@@H]([NH3+])[C@@H]4C3)cc2s1 ZINC000261819332 285193488 /nfs/dbraw/zinc/19/34/88/285193488.db2.gz IGAGUFPDNWEVQC-RRFJBIMHSA-N 2 1 301.459 3.164 10 0 DGAEMP COC(=O)C(C)(C)[C@@H]([NH2+]CC[C@H]1CCC[N@H+]1C)c1ccccc1 ZINC000611405353 400394461 /nfs/dbraw/zinc/39/44/61/400394461.db2.gz LLYWXJZPPGOPBL-SJORKVTESA-N 2 1 318.461 3.001 10 0 DGAEMP CO[C@H]1C[C@@H](C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000623823868 401583596 /nfs/dbraw/zinc/58/35/96/401583596.db2.gz NQAYXSWFMIOKFL-DSLXNQLJSA-N 2 1 302.462 3.054 10 0 DGAEMP CO[C@H]1C[C@@H](C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000623823868 401583598 /nfs/dbraw/zinc/58/35/98/401583598.db2.gz NQAYXSWFMIOKFL-DSLXNQLJSA-N 2 1 302.462 3.054 10 0 DGAEMP Cc1ccc(C[N@@H+]2CC[C@@H](CNc3cccc(C)[nH+]3)C2)c(C)n1 ZINC000187066317 165074996 /nfs/dbraw/zinc/07/49/96/165074996.db2.gz HDVORNBSDYPLIF-KRWDZBQOSA-N 2 1 310.445 3.336 10 0 DGAEMP Cc1ccc(C[N@H+]2CC[C@@H](CNc3cccc(C)[nH+]3)C2)c(C)n1 ZINC000187066317 165075004 /nfs/dbraw/zinc/07/50/04/165075004.db2.gz HDVORNBSDYPLIF-KRWDZBQOSA-N 2 1 310.445 3.336 10 0 DGAEMP CC[NH+](CC)CCC[NH+]1CCC(Oc2ccc(F)cc2)CC1 ZINC000191496649 165254333 /nfs/dbraw/zinc/25/43/33/165254333.db2.gz YKNYODXXXABATI-UHFFFAOYSA-N 2 1 308.441 3.401 10 0 DGAEMP Cc1cccc(N2CCC([NH2+][C@H](C)c3cccc(O)c3)CC2)[nH+]1 ZINC000194894282 165356281 /nfs/dbraw/zinc/35/62/81/165356281.db2.gz XZJVZMVTOSRRKM-OAHLLOKOSA-N 2 1 311.429 3.415 10 0 DGAEMP Cc1cccc(N2CCC([NH2+][C@@H](C)c3cccc(O)c3)CC2)[nH+]1 ZINC000194894272 165357286 /nfs/dbraw/zinc/35/72/86/165357286.db2.gz XZJVZMVTOSRRKM-HNNXBMFYSA-N 2 1 311.429 3.415 10 0 DGAEMP Cc1cc(C[N@H+]2CC[C@H]([NH3+])C(C)(C)C2)cc(C)c1OC(F)F ZINC000261845433 165755889 /nfs/dbraw/zinc/75/58/89/165755889.db2.gz QYVQWJXSRZARPG-AWEZNQCLSA-N 2 1 312.404 3.464 10 0 DGAEMP C[C@@H]1CC[C@H](C)[NH+](CC2(C[N@H+]3C[C@@H](C)CC[C@H]3C)COC2)C1 ZINC000182205074 432166932 /nfs/dbraw/zinc/16/69/32/432166932.db2.gz MBJOXRCLNJZDCV-FZDBZEDMSA-N 2 1 308.510 3.244 10 0 DGAEMP C[C@@H]1CC[C@H](C)[N@H+](CC2(C[NH+]3C[C@@H](C)CC[C@H]3C)COC2)C1 ZINC000182205074 432166937 /nfs/dbraw/zinc/16/69/37/432166937.db2.gz MBJOXRCLNJZDCV-FZDBZEDMSA-N 2 1 308.510 3.244 10 0 DGAEMP C[C@@H]1CC[C@H](C)[N@@H+](CC2(C[NH+]3C[C@@H](C)CC[C@H]3C)COC2)C1 ZINC000182205074 432166943 /nfs/dbraw/zinc/16/69/43/432166943.db2.gz MBJOXRCLNJZDCV-FZDBZEDMSA-N 2 1 308.510 3.244 10 0 DGAEMP Cc1ncc(CN2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)n1-c1ccccc1 ZINC000246855412 432174655 /nfs/dbraw/zinc/17/46/55/432174655.db2.gz SGHXKXLJJQWFIN-PXNSSMCTSA-N 2 1 324.472 3.097 10 0 DGAEMP CC[N@H+]1CC[C@H](C[NH2+][C@H](Cc2ccccc2OC)C(C)C)C1 ZINC000246991697 432187969 /nfs/dbraw/zinc/18/79/69/432187969.db2.gz KFFAMFTZHVYXPA-SJLPKXTDSA-N 2 1 304.478 3.194 10 0 DGAEMP Cc1ccc(OCCC[NH+](C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1C ZINC000247146294 432206198 /nfs/dbraw/zinc/20/61/98/432206198.db2.gz ZZFBPCWXSZNPEI-ZWKOTPCHSA-N 2 1 304.478 3.487 10 0 DGAEMP Cc1ccc(OCCC[NH+](C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1C ZINC000247146294 432206201 /nfs/dbraw/zinc/20/62/01/432206201.db2.gz ZZFBPCWXSZNPEI-ZWKOTPCHSA-N 2 1 304.478 3.487 10 0 DGAEMP Cc1ccc(OCCC[N@@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)cc1C ZINC000247146294 432206206 /nfs/dbraw/zinc/20/62/06/432206206.db2.gz ZZFBPCWXSZNPEI-ZWKOTPCHSA-N 2 1 304.478 3.487 10 0 DGAEMP Cc1ccc(OCCC[N@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)cc1C ZINC000247146294 432206208 /nfs/dbraw/zinc/20/62/08/432206208.db2.gz ZZFBPCWXSZNPEI-ZWKOTPCHSA-N 2 1 304.478 3.487 10 0 DGAEMP c1ccc(C[NH+]2C[C@H]3C[N@@H+](CC[C@@H]4CCCCO4)C[C@H]3C2)cc1 ZINC000348326531 264390817 /nfs/dbraw/zinc/39/08/17/264390817.db2.gz ITYBZSXETKCBQN-ZCNNSNEGSA-N 2 1 314.473 3.009 10 0 DGAEMP c1ccc(C[N@@H+]2C[C@H]3C[NH+](CC[C@@H]4CCCCO4)C[C@H]3C2)cc1 ZINC000348326531 264390818 /nfs/dbraw/zinc/39/08/18/264390818.db2.gz ITYBZSXETKCBQN-ZCNNSNEGSA-N 2 1 314.473 3.009 10 0 DGAEMP c1ccc(C[N@H+]2C[C@H]3C[NH+](CC[C@@H]4CCCCO4)C[C@H]3C2)cc1 ZINC000348326531 264390819 /nfs/dbraw/zinc/39/08/19/264390819.db2.gz ITYBZSXETKCBQN-ZCNNSNEGSA-N 2 1 314.473 3.009 10 0 DGAEMP C[C@@H]1CC[C@H]([NH2+]C[C@H](O)C[NH+]2CCCCC2)c2ccccc21 ZINC000151314938 274318136 /nfs/dbraw/zinc/31/81/36/274318136.db2.gz RHYMDQLUDFDRFZ-GJYPPUQNSA-N 2 1 302.462 3.061 10 0 DGAEMP C[C@@H]1C[N@@H+]([C@H]2CCc3cc(Br)ccc32)C[C@@]1(C)C[NH3+] ZINC000311421577 274359834 /nfs/dbraw/zinc/35/98/34/274359834.db2.gz DZVYQIDPMNMBOV-XFBWCDHKSA-N 2 1 323.278 3.353 10 0 DGAEMP C[C@@H]1C[N@H+]([C@H]2CCc3cc(Br)ccc32)C[C@@]1(C)C[NH3+] ZINC000311421577 274359837 /nfs/dbraw/zinc/35/98/37/274359837.db2.gz DZVYQIDPMNMBOV-XFBWCDHKSA-N 2 1 323.278 3.353 10 0 DGAEMP C[C@@H]1C[C@H]([N@@H+](C)CCC(=O)Nc2ccccc2Cl)CCN1C ZINC000123483948 431866507 /nfs/dbraw/zinc/86/65/07/431866507.db2.gz LXOPBXHBGDWRED-ZIAGYGMSSA-N 2 1 323.868 3.083 10 0 DGAEMP C[C@@H]1C[C@H]([NH+](C)CCC(=O)Nc2ccccc2Cl)CC[N@@H+]1C ZINC000123483948 431866510 /nfs/dbraw/zinc/86/65/10/431866510.db2.gz LXOPBXHBGDWRED-ZIAGYGMSSA-N 2 1 323.868 3.083 10 0 DGAEMP C[C@@H]1C[C@H]([NH+](C)CCC(=O)Nc2ccccc2Cl)CC[N@H+]1C ZINC000123483948 431866513 /nfs/dbraw/zinc/86/65/13/431866513.db2.gz LXOPBXHBGDWRED-ZIAGYGMSSA-N 2 1 323.868 3.083 10 0 DGAEMP C[C@@H]1C[C@H]([N@H+](C)CCC(=O)Nc2ccccc2Cl)CC[NH+]1C ZINC000123483948 431866515 /nfs/dbraw/zinc/86/65/15/431866515.db2.gz LXOPBXHBGDWRED-ZIAGYGMSSA-N 2 1 323.868 3.083 10 0 DGAEMP C[C@@H]1C[C@H]([N@@H+](C)CCC(=O)Nc2ccccc2Cl)CC[NH+]1C ZINC000123483948 431866518 /nfs/dbraw/zinc/86/65/18/431866518.db2.gz LXOPBXHBGDWRED-ZIAGYGMSSA-N 2 1 323.868 3.083 10 0 DGAEMP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12)[C@@H]1CCCO1 ZINC000248416527 432289374 /nfs/dbraw/zinc/28/93/74/432289374.db2.gz PSSAQIHKJIJKSL-FKICDVMDSA-N 2 1 314.473 3.054 10 0 DGAEMP C[C@@H]1C[C@@H]([N@@H+](C)CCOc2ccc(Cl)c(F)c2)CCN1C ZINC000192056202 432329257 /nfs/dbraw/zinc/32/92/57/432329257.db2.gz GKELFGGMWDVKEJ-OLZOCXBDSA-N 2 1 314.832 3.272 10 0 DGAEMP C[C@@H]1C[C@@H]([N@H+](C)CCOc2ccc(Cl)c(F)c2)CC[NH+]1C ZINC000192056202 432329268 /nfs/dbraw/zinc/32/92/68/432329268.db2.gz GKELFGGMWDVKEJ-OLZOCXBDSA-N 2 1 314.832 3.272 10 0 DGAEMP C[C@@H]1C[C@@H]([N@@H+](C)CCOc2ccc(Cl)c(F)c2)CC[NH+]1C ZINC000192056202 432329270 /nfs/dbraw/zinc/32/92/70/432329270.db2.gz GKELFGGMWDVKEJ-OLZOCXBDSA-N 2 1 314.832 3.272 10 0 DGAEMP [NH3+]C[C@@H]1C[N@@H+](Cc2ccc3c(c2)CCC3)C[C@H]1c1ccccc1 ZINC000261804571 432453190 /nfs/dbraw/zinc/45/31/90/432453190.db2.gz REARQBPWXOGKFN-RTWAWAEBSA-N 2 1 306.453 3.350 10 0 DGAEMP C1C[C@@H]([NH2+][C@@H]2CC[C@H]3CCCC[C@@H]3C2)[C@@H]([C@@H]2COCC[NH2+]2)C1 ZINC000261846710 432455084 /nfs/dbraw/zinc/45/50/84/432455084.db2.gz AVRUGJOQWRZTOT-KSCVBYKOSA-N 2 1 306.494 3.092 10 0 DGAEMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3csc(-c4ccccc4)n3)C[C@H]21 ZINC000262289262 432480319 /nfs/dbraw/zinc/48/03/19/432480319.db2.gz NAHWMJVZFHGNAJ-DJIMGWMZSA-N 2 1 313.470 3.369 10 0 DGAEMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3csc(-c4ccccc4)n3)C[C@H]21 ZINC000262289262 432480321 /nfs/dbraw/zinc/48/03/21/432480321.db2.gz NAHWMJVZFHGNAJ-DJIMGWMZSA-N 2 1 313.470 3.369 10 0 DGAEMP CC[N@@H+](CC1CC[NH2+]CC1)[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000262287659 432480390 /nfs/dbraw/zinc/48/03/90/432480390.db2.gz VQKUGTFEUFXITO-PXNSSMCTSA-N 2 1 315.505 3.143 10 0 DGAEMP C[C@@]1(C[N@H+]2CCC[C@@H](COc3ccccc3Cl)C2)CC[NH2+]C1 ZINC000261924609 432461100 /nfs/dbraw/zinc/46/11/00/432461100.db2.gz BZUFAFRMPPOAOV-CRAIPNDOSA-N 2 1 322.880 3.430 10 0 DGAEMP c1ccc2c(c1)cccc2C[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1 ZINC000261920686 432461471 /nfs/dbraw/zinc/46/14/71/432461471.db2.gz KGTJTOAGXUWJLU-AQNXPRMDSA-N 2 1 310.441 3.087 10 0 DGAEMP CC(C)(C[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1)Cc1ccccc1 ZINC000261933474 432461490 /nfs/dbraw/zinc/46/14/90/432461490.db2.gz LYQDDXIDYUKNFN-IPMKNSEASA-N 2 1 316.489 3.002 10 0 DGAEMP Cc1cc2c(cc1C)[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)CCCO2 ZINC000158184752 432640759 /nfs/dbraw/zinc/64/07/59/432640759.db2.gz CGRWMFQMKLJAEB-FUHWJXTLSA-N 2 1 302.462 3.449 10 0 DGAEMP COC[C@H](C)C[NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000188007146 432698789 /nfs/dbraw/zinc/69/87/89/432698789.db2.gz VRDRXRQAXGAQDH-MRXNPFEDSA-N 2 1 316.445 3.284 10 0 DGAEMP CC[C@@H]([NH2+]C1CC[NH+](CC2CCCC2)CC1)c1cnn(C)c1 ZINC000178158011 432699840 /nfs/dbraw/zinc/69/98/40/432699840.db2.gz SEUNBVPDBRMKLI-GOSISDBHSA-N 2 1 304.482 3.115 10 0 DGAEMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC(Oc2ccc(F)cc2)CC1 ZINC000161922546 432804493 /nfs/dbraw/zinc/80/44/93/432804493.db2.gz ZSLGYGOVXPKBMM-MRXNPFEDSA-N 2 1 306.425 3.153 10 0 DGAEMP O[C@@H](C[C@@H]1CCC[N@H+]1CCC[NH+]1CCCC1)c1cccs1 ZINC000163230582 432846652 /nfs/dbraw/zinc/84/66/52/432846652.db2.gz PRDWFIOOGYPJRX-HOTGVXAUSA-N 2 1 308.491 3.122 10 0 DGAEMP C[C@@H]1C[C@H]([NH2+][C@H]2CCN(C)[C@H]2c2ccc(Cl)cc2)CC[N@@H+]1C ZINC000245620171 432850114 /nfs/dbraw/zinc/85/01/14/432850114.db2.gz WKDWDGNNNDPVNN-ZSGPHXLJSA-N 2 1 321.896 3.158 10 0 DGAEMP C[C@@H]1C[C@H]([NH2+][C@H]2CCN(C)[C@H]2c2ccc(Cl)cc2)CC[N@H+]1C ZINC000245620171 432850118 /nfs/dbraw/zinc/85/01/18/432850118.db2.gz WKDWDGNNNDPVNN-ZSGPHXLJSA-N 2 1 321.896 3.158 10 0 DGAEMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(C)(C)C(C)(C)O ZINC000453344809 433108885 /nfs/dbraw/zinc/10/88/85/433108885.db2.gz FCLCYHFHHLVLKG-AEFFLSMTSA-N 2 1 318.505 3.284 10 0 DGAEMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(C)(C)C(C)(C)O ZINC000453344815 433108937 /nfs/dbraw/zinc/10/89/37/433108937.db2.gz FCLCYHFHHLVLKG-SJLPKXTDSA-N 2 1 318.505 3.284 10 0 DGAEMP c1cc(C[N@H+]2CC[C@@]23CCOC3)cc(C[NH+]2CCCCC2)c1 ZINC000421022201 433394205 /nfs/dbraw/zinc/39/42/05/433394205.db2.gz PXXZBNMWTJNMBS-IBGZPJMESA-N 2 1 300.446 3.037 10 0 DGAEMP c1nc([C@H]2CCC[N@H+](CCc3cccnc3)C2)n2c1CCCC2 ZINC000281880765 433412884 /nfs/dbraw/zinc/41/28/84/433412884.db2.gz AHFZDKHFFWPWCR-KRWDZBQOSA-N 2 1 310.445 3.037 10 0 DGAEMP c1nc([C@@H]2CCC[N@H+](CCc3ccncc3)C2)n2c1CCCC2 ZINC000281883269 433419445 /nfs/dbraw/zinc/41/94/45/433419445.db2.gz ALZLCFAPBSDKHQ-QGZVFWFLSA-N 2 1 310.445 3.037 10 0 DGAEMP Cc1cc(CC[NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)on1 ZINC000376068052 433656951 /nfs/dbraw/zinc/65/69/51/433656951.db2.gz OEGRVAJTFVUQLM-WMZOPIPTSA-N 2 1 313.445 3.026 10 0 DGAEMP Cc1cccc2c(N3C[C@@H]4C[N@H+]5CCCC[C@H]5[C@H]4C3)cc[nH+]c12 ZINC000301697859 433681521 /nfs/dbraw/zinc/68/15/21/433681521.db2.gz ZXLRAQQPIOHGBY-SZMVWBNQSA-N 2 1 307.441 3.464 10 0 DGAEMP Cc1ccncc1C[NH2+]C[C@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000374280077 293376997 /nfs/dbraw/zinc/37/69/97/293376997.db2.gz YJSRJQJBVSDYHK-FQEVSTJZSA-N 2 1 309.457 3.392 10 0 DGAEMP c1ccc(COCCC[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)cc1 ZINC000309976906 434100974 /nfs/dbraw/zinc/10/09/74/434100974.db2.gz RRVRNLWASKNQGQ-MOPGFXCFSA-N 2 1 302.462 3.057 10 0 DGAEMP Cc1cccc(C[NH2+][C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000309728723 434097581 /nfs/dbraw/zinc/09/75/81/434097581.db2.gz QUYAVQHXEYLCSU-IEBWSBKVSA-N 2 1 309.457 3.390 10 0 DGAEMP Cc1cccc(C[NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000309728723 434097594 /nfs/dbraw/zinc/09/75/94/434097594.db2.gz QUYAVQHXEYLCSU-IEBWSBKVSA-N 2 1 309.457 3.390 10 0 DGAEMP CCC[C@H](C[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)OC ZINC000386509050 434315214 /nfs/dbraw/zinc/31/52/14/434315214.db2.gz WWVJKZVIXQRHEP-ZGXWSNOMSA-N 2 1 316.489 3.302 10 0 DGAEMP C[C@H]([NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)[C@@H]1CC1(C)C ZINC000397629185 434440256 /nfs/dbraw/zinc/44/02/56/434440256.db2.gz NPIXZLVSGUQNKY-UHOSZYNNSA-N 2 1 316.489 3.302 10 0 DGAEMP C[C@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)[C@@H]1CC1(C)C ZINC000397629185 434440265 /nfs/dbraw/zinc/44/02/65/434440265.db2.gz NPIXZLVSGUQNKY-UHOSZYNNSA-N 2 1 316.489 3.302 10 0 DGAEMP C[C@H](CCCC[NH3+])[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000398033995 434451940 /nfs/dbraw/zinc/45/19/40/434451940.db2.gz OPVLWCIQIHMTKW-LMMKCTJWSA-N 3 1 303.494 3.004 10 0 DGAEMP C[C@H](CCCC[NH3+])[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000398033995 434451950 /nfs/dbraw/zinc/45/19/50/434451950.db2.gz OPVLWCIQIHMTKW-LMMKCTJWSA-N 3 1 303.494 3.004 10 0 DGAEMP C[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)CS1 ZINC000398092751 434454701 /nfs/dbraw/zinc/45/47/01/434454701.db2.gz JTNJTNGLYSHEFD-LMSBXDPUSA-N 2 1 304.503 3.381 10 0 DGAEMP C[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)CS1 ZINC000398092751 434454712 /nfs/dbraw/zinc/45/47/12/434454712.db2.gz JTNJTNGLYSHEFD-LMSBXDPUSA-N 2 1 304.503 3.381 10 0 DGAEMP COC1(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)CCC1 ZINC000360438843 434604342 /nfs/dbraw/zinc/60/43/42/434604342.db2.gz ZZEYWTAJAKUASQ-WMZOPIPTSA-N 2 1 302.462 3.056 10 0 DGAEMP CC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2ccc(SC)c(OC)c2)C1 ZINC000360433900 434605676 /nfs/dbraw/zinc/60/56/76/434605676.db2.gz PQJVQSLXBCCMRE-ZIAGYGMSSA-N 2 1 308.491 3.410 10 0 DGAEMP CC[N@@H+](CCN[C@@H]1CC[NH+](Cc2ccccc2)C[C@H]1C)C(C)C ZINC000360928777 434734607 /nfs/dbraw/zinc/73/46/07/434734607.db2.gz CBPVZUCBRQMHGT-UYAOXDASSA-N 2 1 317.521 3.217 10 0 DGAEMP CC[NH+](CCN[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)C(C)C ZINC000360928777 434734616 /nfs/dbraw/zinc/73/46/16/434734616.db2.gz CBPVZUCBRQMHGT-UYAOXDASSA-N 2 1 317.521 3.217 10 0 DGAEMP CC(C)CC[C@@H](O)C[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000482684772 435479406 /nfs/dbraw/zinc/47/94/06/435479406.db2.gz QIDHQFLPJZYLAW-RBUKOAKNSA-N 2 1 310.526 3.372 10 0 DGAEMP CCCC[N@@H+](C)CCN[C@H]1CC[NH+](Cc2ccccc2)C[C@H]1C ZINC000482954528 435487682 /nfs/dbraw/zinc/48/76/82/435487682.db2.gz DPWKBNAEOIJWMI-QUCCMNQESA-N 2 1 317.521 3.219 10 0 DGAEMP CCCC[NH+](C)CCN[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000482954528 435487688 /nfs/dbraw/zinc/48/76/88/435487688.db2.gz DPWKBNAEOIJWMI-QUCCMNQESA-N 2 1 317.521 3.219 10 0 DGAEMP CCCC[NH+](C)CCN[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000482954528 435487692 /nfs/dbraw/zinc/48/76/92/435487692.db2.gz DPWKBNAEOIJWMI-QUCCMNQESA-N 2 1 317.521 3.219 10 0 DGAEMP CCCC[N@@H+](C)CCN[C@@H]1CC[NH+](Cc2ccccc2)C[C@@H]1C ZINC000482954526 435488304 /nfs/dbraw/zinc/48/83/04/435488304.db2.gz DPWKBNAEOIJWMI-AZUAARDMSA-N 2 1 317.521 3.219 10 0 DGAEMP CCCC[NH+](C)CCN[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000482954526 435488310 /nfs/dbraw/zinc/48/83/10/435488310.db2.gz DPWKBNAEOIJWMI-AZUAARDMSA-N 2 1 317.521 3.219 10 0 DGAEMP CCCC[NH+](C)CCN[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000482954526 435488316 /nfs/dbraw/zinc/48/83/16/435488316.db2.gz DPWKBNAEOIJWMI-AZUAARDMSA-N 2 1 317.521 3.219 10 0 DGAEMP C[C@H](CCC(C)(C)C)[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000551525679 435839642 /nfs/dbraw/zinc/83/96/42/435839642.db2.gz KWKADIQZTUHOHL-XLIONFOSSA-N 2 1 318.505 3.428 10 0 DGAEMP C[C@H](CCC(C)(C)C)[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000551525679 435839647 /nfs/dbraw/zinc/83/96/47/435839647.db2.gz KWKADIQZTUHOHL-XLIONFOSSA-N 2 1 318.505 3.428 10 0 DGAEMP C[N@H+](Cc1ccccc1)CC1CC[NH+](C[C@@H](O)C(C)(C)C)CC1 ZINC000551093185 435823016 /nfs/dbraw/zinc/82/30/16/435823016.db2.gz MUMOYUGKCGAUTF-LJQANCHMSA-N 2 1 318.505 3.237 10 0 DGAEMP CC[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CO1 ZINC000657433728 436201102 /nfs/dbraw/zinc/20/11/02/436201102.db2.gz ZZGXJUYUPUODHP-UHZRXMQZSA-N 2 1 314.473 3.054 10 0 DGAEMP Cn1c[nH+]cc1CC[NH2+][C@@H]1CCCc2ncc(C(F)(F)F)cc21 ZINC000530513382 313379786 /nfs/dbraw/zinc/37/97/86/313379786.db2.gz RSVLXLRMFNNIAL-CQSZACIVSA-N 2 1 324.350 3.044 10 0 DGAEMP CC[N@@H+](CCC1CC[NH+]([C@@H](C(=O)OC)C2CC2)CC1)CC(C)C ZINC000542916134 314106053 /nfs/dbraw/zinc/10/60/53/314106053.db2.gz INCSNADWXXNLAC-GOSISDBHSA-N 2 1 324.509 3.018 10 0 DGAEMP CC1=CC[N@@H+](CCNC2CC[NH+]([C@@H]3CCC[C@H](C)C3)CC2)CC1 ZINC000545864719 314271355 /nfs/dbraw/zinc/27/13/55/314271355.db2.gz JBDIOILRHBVILK-AZUAARDMSA-N 2 1 319.537 3.271 10 0 DGAEMP CC1=CCN(CC[NH2+]C2CC[NH+]([C@@H]3CCC[C@H](C)C3)CC2)CC1 ZINC000545864719 314271358 /nfs/dbraw/zinc/27/13/58/314271358.db2.gz JBDIOILRHBVILK-AZUAARDMSA-N 2 1 319.537 3.271 10 0 DGAEMP CC1=CC[N@@H+](CCNC2CC[NH+]([C@H]3CCC[C@@H](C)C3)CC2)CC1 ZINC000545864721 314271453 /nfs/dbraw/zinc/27/14/53/314271453.db2.gz JBDIOILRHBVILK-QUCCMNQESA-N 2 1 319.537 3.271 10 0 DGAEMP CC1=CCN(CC[NH2+]C2CC[NH+]([C@H]3CCC[C@@H](C)C3)CC2)CC1 ZINC000545864721 314271459 /nfs/dbraw/zinc/27/14/59/314271459.db2.gz JBDIOILRHBVILK-QUCCMNQESA-N 2 1 319.537 3.271 10 0 DGAEMP c1ccc(C[N@H+]2CC[C@H]([NH2+]CCc3cccnc3)CC23CC3)cc1 ZINC000566216061 315322631 /nfs/dbraw/zinc/32/26/31/315322631.db2.gz KECQZEXUUGPXCJ-FQEVSTJZSA-N 2 1 321.468 3.411 10 0 DGAEMP c1ccc(C[N@@H+]2CC[C@H]([NH2+]CCc3cccnc3)CC23CC3)cc1 ZINC000566216061 315322632 /nfs/dbraw/zinc/32/26/32/315322632.db2.gz KECQZEXUUGPXCJ-FQEVSTJZSA-N 2 1 321.468 3.411 10 0 DGAEMP c1ccc(C[N@H+]2CC[C@H]([NH2+]C[C@@H]3CCCCO3)CC23CC3)cc1 ZINC000566216109 315322698 /nfs/dbraw/zinc/32/26/98/315322698.db2.gz OIKLMEZAYNZOJY-OALUTQOASA-N 2 1 314.473 3.342 10 0 DGAEMP c1ccc(C[N@@H+]2CC[C@H]([NH2+]C[C@@H]3CCCCO3)CC23CC3)cc1 ZINC000566216109 315322699 /nfs/dbraw/zinc/32/26/99/315322699.db2.gz OIKLMEZAYNZOJY-OALUTQOASA-N 2 1 314.473 3.342 10 0 DGAEMP Brc1ccccc1C[N@@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000415054290 526647959 /nfs/dbraw/zinc/64/79/59/526647959.db2.gz PRLFVERPDYWYPR-BBRMVZONSA-N 2 1 323.278 3.413 10 0 DGAEMP Brc1ccccc1C[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000415054290 526647965 /nfs/dbraw/zinc/64/79/65/526647965.db2.gz PRLFVERPDYWYPR-BBRMVZONSA-N 2 1 323.278 3.413 10 0 DGAEMP c1ccc(C[N@@H+]2CCCC[C@@H](C[NH2+][C@@H]3CCCOC3)C2)cc1 ZINC000336716397 546517232 /nfs/dbraw/zinc/51/72/32/546517232.db2.gz PFHFPKBYVDPLII-RBUKOAKNSA-N 2 1 302.462 3.057 10 0 DGAEMP C[C@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CCCCO1 ZINC000393601703 575904605 /nfs/dbraw/zinc/90/46/05/575904605.db2.gz UNEDRMPXMJHGFD-LPHOPBHVSA-N 2 1 302.462 3.198 10 0 DGAEMP C[C@@H]1SCC[C@H]1[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000398155227 575960537 /nfs/dbraw/zinc/96/05/37/575960537.db2.gz ZQPOPKGGIQHJCC-MXSMSXNCSA-N 2 1 304.503 3.381 10 0 DGAEMP C[C@@H]1SCC[C@H]1[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000398155227 575960540 /nfs/dbraw/zinc/96/05/40/575960540.db2.gz ZQPOPKGGIQHJCC-MXSMSXNCSA-N 2 1 304.503 3.381 10 0 DGAEMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](CC2(O)CCCCC2)C1 ZINC000113997887 620970557 /nfs/dbraw/zinc/97/05/57/620970557.db2.gz CKSJZVRHJCNTGJ-ZWKOTPCHSA-N 2 1 308.510 3.268 10 0 DGAEMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](CC2(O)CCCCC2)C1 ZINC000113997887 620970559 /nfs/dbraw/zinc/97/05/59/620970559.db2.gz CKSJZVRHJCNTGJ-ZWKOTPCHSA-N 2 1 308.510 3.268 10 0 DGAEMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](CC2(O)CCCCC2)C1 ZINC000113997887 620970561 /nfs/dbraw/zinc/97/05/61/620970561.db2.gz CKSJZVRHJCNTGJ-ZWKOTPCHSA-N 2 1 308.510 3.268 10 0 DGAEMP COC1CC(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)C1 ZINC000703888327 660795440 /nfs/dbraw/zinc/79/54/40/660795440.db2.gz BPKKRDFHAHVLPF-CTWPCTMYSA-N 2 1 316.489 3.302 10 0 DGAEMP COC1CC(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)C1 ZINC000703888327 660795441 /nfs/dbraw/zinc/79/54/41/660795441.db2.gz BPKKRDFHAHVLPF-CTWPCTMYSA-N 2 1 316.489 3.302 10 0 DGAEMP CCC[C@@](C)(O)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716619605 661224904 /nfs/dbraw/zinc/22/49/04/661224904.db2.gz FXAUQQXZQCIIEO-LWYYNNOASA-N 2 1 316.489 3.180 10 0 DGAEMP CC(C)OCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716673807 661226585 /nfs/dbraw/zinc/22/65/85/661226585.db2.gz QIFQOSPMJXDFLU-FHWLQOOXSA-N 2 1 302.462 3.054 10 0 DGAEMP CCOCCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716674251 661226753 /nfs/dbraw/zinc/22/67/53/661226753.db2.gz WQTXINJDXVBMML-OTWHNJEPSA-N 2 1 302.462 3.056 10 0 DGAEMP C[C@@H]([NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2)c1cnn(C)c1 ZINC000716672779 661226828 /nfs/dbraw/zinc/22/68/28/661226828.db2.gz UILDZPQEQOMRAB-LQJIQPLVSA-N 2 1 324.472 3.124 10 0 DGAEMP C[C@H](CCCO)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716695885 661227509 /nfs/dbraw/zinc/22/75/09/661227509.db2.gz ZITNLFSUUHLJDZ-GTAWCEEGSA-N 2 1 316.489 3.038 10 0 DGAEMP C[C@@H](CCCCO)[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716681551 661227521 /nfs/dbraw/zinc/22/75/21/661227521.db2.gz LNPURGNLYZXAMO-LEAZDLGRSA-N 2 1 316.489 3.180 10 0 DGAEMP FC(F)OCCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716685867 661227527 /nfs/dbraw/zinc/22/75/27/661227527.db2.gz XPIFWNFKUCLNRF-BBWFWOEESA-N 2 1 324.415 3.258 10 0 DGAEMP CCC1(C[NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)COC1 ZINC000716732185 661228242 /nfs/dbraw/zinc/22/82/42/661228242.db2.gz NWJCJXDRPIKMAA-OTWHNJEPSA-N 2 1 314.473 3.056 10 0 DGAEMP CC1(C)CO[C@@H](CC[NH2+]C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000717343057 661262287 /nfs/dbraw/zinc/26/22/87/661262287.db2.gz IGIYVRAMUGBBMG-IBGZPJMESA-N 2 1 316.489 3.446 10 0 DGAEMP COC[C@@H](C)CNc1ccc([NH+]2CCC(C[NH+](C)C)CC2)cc1 ZINC000187597922 656605517 /nfs/dbraw/zinc/60/55/17/656605517.db2.gz BYUFFBXIMHGCGB-INIZCTEOSA-N 2 1 319.493 3.159 10 0 DGAEMP c1ccc(OCC2CC2)c(C[N@H+]2CCC3(C2)CC[NH2+]CC3)c1 ZINC000262033583 657293984 /nfs/dbraw/zinc/29/39/84/657293984.db2.gz OIHJGEFENWLEEY-UHFFFAOYSA-N 2 1 300.446 3.051 10 0 DGAEMP C[N@H+](CC[C@@H]1CCCC[NH+]1C)C[C@H](O)c1ccccc1Cl ZINC000075860523 659948088 /nfs/dbraw/zinc/94/80/88/659948088.db2.gz GCTCSICKXSVEGD-YOEHRIQHSA-N 2 1 310.869 3.180 10 0 DGAEMP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)C[C@H](O)c1ccccc1Cl ZINC000075860523 659948092 /nfs/dbraw/zinc/94/80/92/659948092.db2.gz GCTCSICKXSVEGD-YOEHRIQHSA-N 2 1 310.869 3.180 10 0 DGAEMP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)C[C@H](O)c1ccccc1Cl ZINC000075860523 659948094 /nfs/dbraw/zinc/94/80/94/659948094.db2.gz GCTCSICKXSVEGD-YOEHRIQHSA-N 2 1 310.869 3.180 10 0 DGAEMP C[NH+](CC[C@@H]1CCCC[N@H+]1C)C[C@H](O)c1ccccc1Cl ZINC000075860523 659948096 /nfs/dbraw/zinc/94/80/96/659948096.db2.gz GCTCSICKXSVEGD-YOEHRIQHSA-N 2 1 310.869 3.180 10 0 DGAEMP CC[NH+](CC)CCC[N@H+]1CCC[C@@H]1C[C@H](O)c1ccccc1 ZINC000191519387 662070509 /nfs/dbraw/zinc/07/05/09/662070509.db2.gz KKHFECIJHMYULH-MOPGFXCFSA-N 2 1 304.478 3.306 10 0 DGAEMP Cc1ccc2c(CC[NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)cn(C)c2c1 ZINC000193325312 662130342 /nfs/dbraw/zinc/13/03/42/662130342.db2.gz CZOSPDABLZATHV-AYHJJNSGSA-N 2 1 311.473 3.244 10 0 DGAEMP Cc1cc(C)cc([C@H](O)C[N@H+](C)CC[C@H]2CCCC[NH+]2C)c1 ZINC000247522039 662324651 /nfs/dbraw/zinc/32/46/51/662324651.db2.gz NMZZAZNRFBLSOU-RTBURBONSA-N 2 1 304.478 3.143 10 0 DGAEMP Cc1cc(C)cc([C@H](O)C[N@@H+](C)CC[C@H]2CCCC[NH+]2C)c1 ZINC000247522039 662324652 /nfs/dbraw/zinc/32/46/52/662324652.db2.gz NMZZAZNRFBLSOU-RTBURBONSA-N 2 1 304.478 3.143 10 0 DGAEMP Cc1cc(C)cc([C@H](O)C[NH+](C)CC[C@H]2CCCC[N@@H+]2C)c1 ZINC000247522039 662324654 /nfs/dbraw/zinc/32/46/54/662324654.db2.gz NMZZAZNRFBLSOU-RTBURBONSA-N 2 1 304.478 3.143 10 0 DGAEMP Cc1cc(C)cc([C@H](O)C[NH+](C)CC[C@H]2CCCC[N@H+]2C)c1 ZINC000247522039 662324655 /nfs/dbraw/zinc/32/46/55/662324655.db2.gz NMZZAZNRFBLSOU-RTBURBONSA-N 2 1 304.478 3.143 10 0 DGAEMP Cc1ncsc1C[NH2+]CC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000080234673 1197050603 /nfs/dbraw/zinc/05/06/03/1197050603.db2.gz INBGGHQLKWFYFB-CQSZACIVSA-N 2 1 303.475 3.452 10 0 DGAEMP Cc1ncsc1C[NH2+]CC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000080234673 1197050606 /nfs/dbraw/zinc/05/06/06/1197050606.db2.gz INBGGHQLKWFYFB-CQSZACIVSA-N 2 1 303.475 3.452 10 0 DGAEMP CC(C)[NH+]1CCN(CCC[N@@H+](C)[C@@H](C)Cc2ccsc2)CC1 ZINC000192752355 1201258127 /nfs/dbraw/zinc/25/81/27/1201258127.db2.gz FPXFQPATYONDDS-KRWDZBQOSA-N 2 1 323.550 3.027 10 0 DGAEMP C[N@H+]1CCC[C@@H]1CCN1CCc2cccc(Br)c2C1 ZINC000179442174 432058418 /nfs/dbraw/zinc/05/84/18/432058418.db2.gz OQLVWUOLKSDZGH-CQSZACIVSA-N 2 1 323.278 3.292 10 0 DGAEMP Cc1cccc(NC[C@@H]2CC[N@H+](Cc3cnn(C(C)C)c3)C2)[nH+]1 ZINC000179857301 199089406 /nfs/dbraw/zinc/08/94/06/199089406.db2.gz WZYZCLNUXFQBFP-INIZCTEOSA-N 2 1 313.449 3.101 10 0 DGAEMP c1cc(CCC[N@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)cc2c1OCC2 ZINC000415033396 237022579 /nfs/dbraw/zinc/02/25/79/237022579.db2.gz BRYJPBIDJOPVCN-OALUTQOASA-N 2 1 314.473 3.018 10 0 DGAEMP c1cc(OCC2CC2)ccc1C[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000415033292 237023417 /nfs/dbraw/zinc/02/34/17/237023417.db2.gz BMAFCCARQFUBQX-AZUAARDMSA-N 2 1 314.473 3.439 10 0 DGAEMP COc1cccc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1 ZINC000246282784 432114724 /nfs/dbraw/zinc/11/47/24/432114724.db2.gz BAHIIMDFDRFBFF-LPHOPBHVSA-N 2 1 300.446 3.144 10 0 DGAEMP COc1cccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000246282784 432114729 /nfs/dbraw/zinc/11/47/29/432114729.db2.gz BAHIIMDFDRFBFF-LPHOPBHVSA-N 2 1 300.446 3.144 10 0 DGAEMP COc1cccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000246282784 432114731 /nfs/dbraw/zinc/11/47/31/432114731.db2.gz BAHIIMDFDRFBFF-LPHOPBHVSA-N 2 1 300.446 3.144 10 0 DGAEMP CC(C)CC[N@H+]1Cc2cccc(NC(=O)[C@@H]3CC[C@H]([NH3+])C3)c2C1 ZINC000262635598 203359583 /nfs/dbraw/zinc/35/95/83/203359583.db2.gz HOPMNLZQZFAGSL-ZBFHGGJFSA-N 2 1 315.461 3.114 10 0 DGAEMP Cc1ccc(OCCC[NH+](C)[C@H]2CC[N@H+](C)[C@H](C)C2)cc1C ZINC000123889324 284248013 /nfs/dbraw/zinc/24/80/13/284248013.db2.gz ZZFBPCWXSZNPEI-MSOLQXFVSA-N 2 1 304.478 3.487 10 0 DGAEMP Cc1ccc(OCCC[NH+](C)[C@H]2CC[N@@H+](C)[C@H](C)C2)cc1C ZINC000123889324 284248016 /nfs/dbraw/zinc/24/80/16/284248016.db2.gz ZZFBPCWXSZNPEI-MSOLQXFVSA-N 2 1 304.478 3.487 10 0 DGAEMP Cc1ccc(OCCC[N@@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)cc1C ZINC000123889324 284248019 /nfs/dbraw/zinc/24/80/19/284248019.db2.gz ZZFBPCWXSZNPEI-MSOLQXFVSA-N 2 1 304.478 3.487 10 0 DGAEMP Cc1ccc(OCCC[N@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)cc1C ZINC000123889324 284248021 /nfs/dbraw/zinc/24/80/21/284248021.db2.gz ZZFBPCWXSZNPEI-MSOLQXFVSA-N 2 1 304.478 3.487 10 0 DGAEMP CC(C)(C)c1nc(C[N@H+]2CCC[C@H]2Cn2ccnc2)cs1 ZINC000136081379 432144864 /nfs/dbraw/zinc/14/48/64/432144864.db2.gz OHIHWANQUSNNTD-AWEZNQCLSA-N 2 1 304.463 3.302 10 0 DGAEMP C[N@H+](Cc1csc(Br)c1)CC1CCC([NH3+])CC1 ZINC000042366035 183259827 /nfs/dbraw/zinc/25/98/27/183259827.db2.gz KDOXXDBJHQTGKU-UHFFFAOYSA-N 2 1 317.296 3.460 10 0 DGAEMP C[N@H+]1CCCC[C@H]1CN1CC[NH+](CCCC2CCCC2)CC1 ZINC000120717931 195222800 /nfs/dbraw/zinc/22/28/00/195222800.db2.gz KTBGGNKOWITKFQ-IBGZPJMESA-N 2 1 307.526 3.059 10 0 DGAEMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCOC2(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000294678402 533657346 /nfs/dbraw/zinc/65/73/46/533657346.db2.gz IAAQYAKIMFBRNJ-BPQIPLTHSA-N 2 1 302.462 3.197 10 0 DGAEMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCOC2(C)C)CC[N@H+]1Cc1ccccc1 ZINC000294678402 533657352 /nfs/dbraw/zinc/65/73/52/533657352.db2.gz IAAQYAKIMFBRNJ-BPQIPLTHSA-N 2 1 302.462 3.197 10 0 DGAEMP CC[C@H](c1ccccc1)[NH+]1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000109752616 400354879 /nfs/dbraw/zinc/35/48/79/400354879.db2.gz QJABGMAVUPMSSP-VQTJNVASSA-N 2 1 315.505 3.240 10 0 DGAEMP c1ccc(CSCC[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)cc1 ZINC000592425531 400648339 /nfs/dbraw/zinc/64/83/39/400648339.db2.gz IAWGFTNJKSWSRH-ZWKOTPCHSA-N 2 1 304.503 3.384 10 0 DGAEMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCCC(F)(F)C2)[C@H](C)C1 ZINC000358311881 286028315 /nfs/dbraw/zinc/02/83/15/286028315.db2.gz ZXEKFQYWBRZJPR-OAGGEKHMSA-N 2 1 318.452 3.291 10 0 DGAEMP C[C@H](CC[NH2+][C@@H](C)[C@@H]1CCCCO1)[N@@H+](C)Cc1ccccc1 ZINC000623901450 401596586 /nfs/dbraw/zinc/59/65/86/401596586.db2.gz IGKDFHONETXUMY-AOIWGVFYSA-N 2 1 304.478 3.444 10 0 DGAEMP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)[C@H]1CCCCO1 ZINC000623902126 401597149 /nfs/dbraw/zinc/59/71/49/401597149.db2.gz BBFHBSSYCGWSOI-LCLWPZTBSA-N 2 1 316.489 3.444 10 0 DGAEMP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)[C@H]1CCCCO1 ZINC000623902126 401597150 /nfs/dbraw/zinc/59/71/50/401597150.db2.gz BBFHBSSYCGWSOI-LCLWPZTBSA-N 2 1 316.489 3.444 10 0 DGAEMP CC[N@H+]1CC[C@H](C[NH2+][C@H](c2ccc3[nH]c(=O)oc3c2)C(C)C)C1 ZINC000359284085 286275422 /nfs/dbraw/zinc/27/54/22/286275422.db2.gz YWTDOGVECTZGHF-DYVFJYSZSA-N 2 1 317.433 3.162 10 0 DGAEMP C=Cn1cc(C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)cn1 ZINC000194359183 165344611 /nfs/dbraw/zinc/34/46/11/165344611.db2.gz JNLZCMQQGHVDGA-CQSZACIVSA-N 2 1 307.401 3.329 10 0 DGAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CCCCC(=O)OC(C)(C)C ZINC000181956751 432152520 /nfs/dbraw/zinc/15/25/20/432152520.db2.gz XLSPETFEZTUFJB-MRXNPFEDSA-N 2 1 321.465 3.168 10 0 DGAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1CCCCC(=O)OC(C)(C)C ZINC000181956751 432152524 /nfs/dbraw/zinc/15/25/24/432152524.db2.gz XLSPETFEZTUFJB-MRXNPFEDSA-N 2 1 321.465 3.168 10 0 DGAEMP Cc1ccc(N2CCC[C@H]([NH2+][C@H]3CC[N@H+](C)[C@@H](C)C3)C2)cc1 ZINC000247066146 432198453 /nfs/dbraw/zinc/19/84/53/432198453.db2.gz MSDUCGWNFNMHCY-BZSNNMDCSA-N 2 1 301.478 3.036 10 0 DGAEMP Cc1ccc(N2CCC[C@H]([NH2+][C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)cc1 ZINC000247066146 432198457 /nfs/dbraw/zinc/19/84/57/432198457.db2.gz MSDUCGWNFNMHCY-BZSNNMDCSA-N 2 1 301.478 3.036 10 0 DGAEMP Cc1cc(C)c([C@@H](C)[NH2+]C[C@@H](O)C[NH+]2CCCCC2)cc1C ZINC000151341645 432239720 /nfs/dbraw/zinc/23/97/20/432239720.db2.gz JPHCUAOTOTYYSG-QZTJIDSGSA-N 2 1 304.478 3.109 10 0 DGAEMP c1cc(-c2ccc(C[N@@H+]3CCC[C@@H]([NH+]4CCCC4)CC3)o2)n[nH]1 ZINC000369489393 271282654 /nfs/dbraw/zinc/28/26/54/271282654.db2.gz FYMVHAQWJYWBFY-OAHLLOKOSA-N 2 1 314.433 3.120 10 0 DGAEMP c1cc(-c2ccc(C[N@H+]3CCC[C@@H]([NH+]4CCCC4)CC3)o2)n[nH]1 ZINC000369489393 271282657 /nfs/dbraw/zinc/28/26/57/271282657.db2.gz FYMVHAQWJYWBFY-OAHLLOKOSA-N 2 1 314.433 3.120 10 0 DGAEMP COc1ccccc1[C@@H](C)NCc1cccnc1-n1ccnc1 ZINC000151500975 432252818 /nfs/dbraw/zinc/25/28/18/432252818.db2.gz JOAPEEQBDLHHAD-CQSZACIVSA-N 2 1 308.385 3.127 10 0 DGAEMP C[C@@H]1C[C@@H]([NH+](C)Cc2ccc(OCC3CC3)cc2)CC[N@@H+]1C ZINC000191398847 432260138 /nfs/dbraw/zinc/26/01/38/432260138.db2.gz LDZCOHBVUIFQKC-QAPCUYQASA-N 2 1 302.462 3.390 10 0 DGAEMP C[C@@H]1C[C@@H]([NH+](C)Cc2ccc(OCC3CC3)cc2)CC[N@H+]1C ZINC000191398847 432260143 /nfs/dbraw/zinc/26/01/43/432260143.db2.gz LDZCOHBVUIFQKC-QAPCUYQASA-N 2 1 302.462 3.390 10 0 DGAEMP C[C@@H]1C[C@@H]([N@H+](C)Cc2ccc(OCC3CC3)cc2)CC[NH+]1C ZINC000191398847 432260148 /nfs/dbraw/zinc/26/01/48/432260148.db2.gz LDZCOHBVUIFQKC-QAPCUYQASA-N 2 1 302.462 3.390 10 0 DGAEMP C[C@@H]1C[C@@H]([N@@H+](C)Cc2ccc(OCC3CC3)cc2)CC[NH+]1C ZINC000191398847 432260152 /nfs/dbraw/zinc/26/01/52/432260152.db2.gz LDZCOHBVUIFQKC-QAPCUYQASA-N 2 1 302.462 3.390 10 0 DGAEMP C[N@@H+]1CCC[C@H](C[NH2+]C[C@@H]2CCSC2)[C@@H]1c1cccs1 ZINC000373301656 277073804 /nfs/dbraw/zinc/07/38/04/277073804.db2.gz UYCBYXAKRNDBRR-SQWLQELKSA-N 2 1 310.532 3.474 10 0 DGAEMP C[N@H+]1CCC[C@H](C[NH2+]C[C@@H]2CCSC2)[C@@H]1c1cccs1 ZINC000373301656 277073806 /nfs/dbraw/zinc/07/38/06/277073806.db2.gz UYCBYXAKRNDBRR-SQWLQELKSA-N 2 1 310.532 3.474 10 0 DGAEMP C1C[C@@H]([NH2+][C@@H]2CC[C@@H]3CCCC[C@@H]3C2)[C@@H]([C@H]2COCC[NH2+]2)C1 ZINC000261846719 277760004 /nfs/dbraw/zinc/76/00/04/277760004.db2.gz AVRUGJOQWRZTOT-SWAOIJHYSA-N 2 1 306.494 3.092 10 0 DGAEMP C[C@H](CCCC[NH3+])[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000309731676 278169107 /nfs/dbraw/zinc/16/91/07/278169107.db2.gz SEGFFNVWANYCDZ-RSPOEFSDSA-N 3 1 315.505 3.004 10 0 DGAEMP COc1c(C)c[nH+]c(CN2CCC[C@@H]2C[NH+]2CCCCC2)c1C ZINC000069607824 431202201 /nfs/dbraw/zinc/20/22/01/431202201.db2.gz ANDJWLYPHNNULA-QGZVFWFLSA-N 2 1 317.477 3.157 10 0 DGAEMP C[C@]1(C[N@H+]2CCC[C@H](c3nc4c(s3)CCCC4)C2)CC[NH2+]C1 ZINC000262020587 280154907 /nfs/dbraw/zinc/15/49/07/280154907.db2.gz NCCYIGGDZMVJBG-KSSFIOAISA-N 2 1 319.518 3.201 10 0 DGAEMP CC[N@H+]1CC[C@@H](N(C)Cc2nc3ccccc3s2)[C@H](C)C1 ZINC000081095382 431782485 /nfs/dbraw/zinc/78/24/85/431782485.db2.gz DGNHZVJTDIORNS-UKRRQHHQSA-N 2 1 303.475 3.458 10 0 DGAEMP CCn1cc(C2CC[NH+](CCCCn3cc[nH+]c3C)CC2)cn1 ZINC000122626898 431839916 /nfs/dbraw/zinc/83/99/16/431839916.db2.gz SFERSPXQIZZJLD-UHFFFAOYSA-N 2 1 315.465 3.068 10 0 DGAEMP CC(C)c1ccccc1NC(=O)CN(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000123029073 431852616 /nfs/dbraw/zinc/85/26/16/431852616.db2.gz WUVGIYAWCOVDOL-HZPDHXFCSA-N 2 1 317.477 3.163 10 0 DGAEMP C[C@@H]1C[C@H]([NH+](C)Cc2ccc(Br)cc2)CC[N@@H+]1C ZINC000123275900 431860355 /nfs/dbraw/zinc/86/03/55/431860355.db2.gz RBUZJBNIIXIQMM-IUODEOHRSA-N 2 1 311.267 3.364 10 0 DGAEMP C[C@@H]1C[C@H]([NH+](C)Cc2ccc(Br)cc2)CC[N@H+]1C ZINC000123275900 431860356 /nfs/dbraw/zinc/86/03/56/431860356.db2.gz RBUZJBNIIXIQMM-IUODEOHRSA-N 2 1 311.267 3.364 10 0 DGAEMP C[C@@H]1C[C@H]([N@H+](C)Cc2ccc(Br)cc2)CC[NH+]1C ZINC000123275900 431860357 /nfs/dbraw/zinc/86/03/57/431860357.db2.gz RBUZJBNIIXIQMM-IUODEOHRSA-N 2 1 311.267 3.364 10 0 DGAEMP C[C@@H]1C[C@H]([N@@H+](C)Cc2ccc(Br)cc2)CC[NH+]1C ZINC000123275900 431860358 /nfs/dbraw/zinc/86/03/58/431860358.db2.gz RBUZJBNIIXIQMM-IUODEOHRSA-N 2 1 311.267 3.364 10 0 DGAEMP C[N@H+]1CCCC[C@H]1CN1CC[NH+](CC2CCC(C)(C)CC2)CC1 ZINC000093147516 431913732 /nfs/dbraw/zinc/91/37/32/431913732.db2.gz PURKIRZPGNDJKI-IBGZPJMESA-N 2 1 321.553 3.305 10 0 DGAEMP COCCC[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000248163153 432271366 /nfs/dbraw/zinc/27/13/66/432271366.db2.gz SLYLBGKPMVIPBF-RBUKOAKNSA-N 2 1 302.462 3.009 10 0 DGAEMP COCCC[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000248163153 432271369 /nfs/dbraw/zinc/27/13/69/432271369.db2.gz SLYLBGKPMVIPBF-RBUKOAKNSA-N 2 1 302.462 3.009 10 0 DGAEMP COCCC[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000248163153 432271372 /nfs/dbraw/zinc/27/13/72/432271372.db2.gz SLYLBGKPMVIPBF-RBUKOAKNSA-N 2 1 302.462 3.009 10 0 DGAEMP CC[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)c1cccc(Cl)c1 ZINC000173345760 432274332 /nfs/dbraw/zinc/27/43/32/432274332.db2.gz CFBQPKNWXKLXHM-SJORKVTESA-N 2 1 310.869 3.228 10 0 DGAEMP CC[N@H+]1CC[C@@H]([NH+](C)CCCCC(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000248451291 432293558 /nfs/dbraw/zinc/29/35/58/432293558.db2.gz JALGRKCFZZUMGW-JKSUJKDBSA-N 2 1 312.498 3.161 10 0 DGAEMP CC[NH+]1CC[C@@H]([N@H+](C)CCCCC(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000248451291 432293561 /nfs/dbraw/zinc/29/35/61/432293561.db2.gz JALGRKCFZZUMGW-JKSUJKDBSA-N 2 1 312.498 3.161 10 0 DGAEMP CC[NH+]1CC[C@@H]([N@@H+](C)CCCCC(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000248451291 432293564 /nfs/dbraw/zinc/29/35/64/432293564.db2.gz JALGRKCFZZUMGW-JKSUJKDBSA-N 2 1 312.498 3.161 10 0 DGAEMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+][C@H]1CCCN(c2cccc(F)c2)C1 ZINC000248122427 432267971 /nfs/dbraw/zinc/26/79/71/432267971.db2.gz NNGSEMDVHRKLCT-RRIFGTCXSA-N 2 1 319.468 3.113 10 0 DGAEMP C[C@@H]1C[C@@H](NC[C@@]2(C)CCC[NH+]2Cc2ccccc2)CC[N@H+]1C ZINC000249778985 432358298 /nfs/dbraw/zinc/35/82/98/432358298.db2.gz CRIIPUGUZWVNBL-YZGWKJHDSA-N 2 1 315.505 3.113 10 0 DGAEMP C[C@@H]1C[C@@H](NC[C@@]2(C)CCC[N@@H+]2Cc2ccccc2)CC[NH+]1C ZINC000249778985 432358301 /nfs/dbraw/zinc/35/83/01/432358301.db2.gz CRIIPUGUZWVNBL-YZGWKJHDSA-N 2 1 315.505 3.113 10 0 DGAEMP C[C@@H]1C[C@@H](NC[C@@]2(C)CCC[N@H+]2Cc2ccccc2)CC[NH+]1C ZINC000249778985 432358304 /nfs/dbraw/zinc/35/83/04/432358304.db2.gz CRIIPUGUZWVNBL-YZGWKJHDSA-N 2 1 315.505 3.113 10 0 DGAEMP Fc1cc(-c2ccncc2)ccc1C[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000262063159 432472337 /nfs/dbraw/zinc/47/23/37/432472337.db2.gz RIQQFEPQVLNYJA-IBGZPJMESA-N 2 1 311.404 3.073 10 0 DGAEMP Fc1cc(-c2ccncc2)ccc1C[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000262063159 432472341 /nfs/dbraw/zinc/47/23/41/432472341.db2.gz RIQQFEPQVLNYJA-IBGZPJMESA-N 2 1 311.404 3.073 10 0 DGAEMP Cc1ccc(C[N@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)cc1Cl ZINC000193903273 432509297 /nfs/dbraw/zinc/50/92/97/432509297.db2.gz LOFJPMZOHZZLSN-HNNXBMFYSA-N 2 1 324.896 3.173 10 0 DGAEMP CC(C)C[N@@H+](C[C@H]1CCC[NH2+]C1)[C@@H]1CCCc2cccnc21 ZINC000261937031 432461133 /nfs/dbraw/zinc/46/11/33/432461133.db2.gz MGSBXBHOGLBZRZ-FUHWJXTLSA-N 2 1 301.478 3.417 10 0 DGAEMP Cc1cccc(C(C)(C)C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)c1 ZINC000262005660 432467535 /nfs/dbraw/zinc/46/75/35/432467535.db2.gz UZZGLSLMTPFSND-OTWHNJEPSA-N 2 1 316.489 3.019 10 0 DGAEMP CCn1cc([C@@H](C)[NH2+]C2CC[NH+](CC3CCCC3)CC2)cn1 ZINC000178159353 432700370 /nfs/dbraw/zinc/70/03/70/432700370.db2.gz QGDCLHIWRBGHGX-OAHLLOKOSA-N 2 1 304.482 3.208 10 0 DGAEMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cccc(OC(F)F)c2)[C@@H](C)C1 ZINC000245432628 432831108 /nfs/dbraw/zinc/83/11/08/432831108.db2.gz OTFUGJJMGUYUBN-BBRMVZONSA-N 2 1 312.404 3.450 10 0 DGAEMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cccc(OC(F)F)c2)[C@@H](C)C1 ZINC000245432628 432831124 /nfs/dbraw/zinc/83/11/24/432831124.db2.gz OTFUGJJMGUYUBN-BBRMVZONSA-N 2 1 312.404 3.450 10 0 DGAEMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cccc(OC(F)F)c2)[C@@H](C)C1 ZINC000245432628 432831125 /nfs/dbraw/zinc/83/11/25/432831125.db2.gz OTFUGJJMGUYUBN-BBRMVZONSA-N 2 1 312.404 3.450 10 0 DGAEMP Cc1nccn1CCCC[N@H+]1CCC[C@H](c2nccs2)C1 ZINC000163018176 432841011 /nfs/dbraw/zinc/84/10/11/432841011.db2.gz VYZYLLLXPJZBTE-HNNXBMFYSA-N 2 1 304.463 3.308 10 0 DGAEMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@H](c2nccs2)C1 ZINC000163018176 432841013 /nfs/dbraw/zinc/84/10/13/432841013.db2.gz VYZYLLLXPJZBTE-HNNXBMFYSA-N 2 1 304.463 3.308 10 0 DGAEMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@H](c2nccs2)C1 ZINC000163018176 432841016 /nfs/dbraw/zinc/84/10/16/432841016.db2.gz VYZYLLLXPJZBTE-HNNXBMFYSA-N 2 1 304.463 3.308 10 0 DGAEMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H]1CCCC[C@@H]1O ZINC000453351877 433113622 /nfs/dbraw/zinc/11/36/22/433113622.db2.gz MSFVDWLQOADVFS-RNQOJCNYSA-N 2 1 316.489 3.038 10 0 DGAEMP Cc1cc(CC[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)on1 ZINC000376058396 433655926 /nfs/dbraw/zinc/65/59/26/433655926.db2.gz PPZNUXSRBJYHRB-KXBFYZLASA-N 2 1 313.445 3.026 10 0 DGAEMP c1c2cccnc2oc1CN1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000449049820 433708513 /nfs/dbraw/zinc/70/85/13/433708513.db2.gz SFKTYIFNTGYDME-YJBOKZPZSA-N 2 1 311.429 3.277 10 0 DGAEMP c1c2cccnc2oc1C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000449049820 433708522 /nfs/dbraw/zinc/70/85/22/433708522.db2.gz SFKTYIFNTGYDME-YJBOKZPZSA-N 2 1 311.429 3.277 10 0 DGAEMP c1c2cccnc2oc1C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000449049820 433708531 /nfs/dbraw/zinc/70/85/31/433708531.db2.gz SFKTYIFNTGYDME-YJBOKZPZSA-N 2 1 311.429 3.277 10 0 DGAEMP c1c2cccnc2oc1C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000449049820 433708541 /nfs/dbraw/zinc/70/85/41/433708541.db2.gz SFKTYIFNTGYDME-YJBOKZPZSA-N 2 1 311.429 3.277 10 0 DGAEMP c1ccc([C@H]2CCC[C@@H]2[NH2+]CCC[NH2+]Cc2cccnc2)cc1 ZINC000414876301 433895351 /nfs/dbraw/zinc/89/53/51/433895351.db2.gz KMIPONCHDNXSAV-UXHICEINSA-N 2 1 309.457 3.487 10 0 DGAEMP c1nc(CC[N@@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)cs1 ZINC000450350011 434119762 /nfs/dbraw/zinc/11/97/62/434119762.db2.gz QCUMAQNOGYINPJ-MRXNPFEDSA-N 2 1 307.507 3.274 10 0 DGAEMP c1nc(CC[N@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)cs1 ZINC000450350011 434119766 /nfs/dbraw/zinc/11/97/66/434119766.db2.gz QCUMAQNOGYINPJ-MRXNPFEDSA-N 2 1 307.507 3.274 10 0 DGAEMP c1nc(CC[N@@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)cs1 ZINC000450350010 434119783 /nfs/dbraw/zinc/11/97/83/434119783.db2.gz QCUMAQNOGYINPJ-INIZCTEOSA-N 2 1 307.507 3.274 10 0 DGAEMP c1nc(CC[N@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)cs1 ZINC000450350010 434119790 /nfs/dbraw/zinc/11/97/90/434119790.db2.gz QCUMAQNOGYINPJ-INIZCTEOSA-N 2 1 307.507 3.274 10 0 DGAEMP c1ccc(COCCC[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)cc1 ZINC000309976912 434102045 /nfs/dbraw/zinc/10/20/45/434102045.db2.gz RRVRNLWASKNQGQ-RTBURBONSA-N 2 1 302.462 3.057 10 0 DGAEMP [NH3+]C[C@@H]1CCCC[C@@H]1NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000379653433 434261344 /nfs/dbraw/zinc/26/13/44/434261344.db2.gz ZPQVNEMKINFZRY-UFYCRDLUSA-N 2 1 315.505 3.148 10 0 DGAEMP [NH3+]C[C@@H]1CCCC[C@@H]1NC[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000379653433 434261355 /nfs/dbraw/zinc/26/13/55/434261355.db2.gz ZPQVNEMKINFZRY-UFYCRDLUSA-N 2 1 315.505 3.148 10 0 DGAEMP COC[C@H](C)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000390655859 434365812 /nfs/dbraw/zinc/36/58/12/434365812.db2.gz KSKKVFHLBKIXLX-SJLPKXTDSA-N 2 1 304.478 3.159 10 0 DGAEMP COC[C@H](C)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000390655859 434365819 /nfs/dbraw/zinc/36/58/19/434365819.db2.gz KSKKVFHLBKIXLX-SJLPKXTDSA-N 2 1 304.478 3.159 10 0 DGAEMP COC[C@H](C)C[NH2+]C[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000390769541 434367684 /nfs/dbraw/zinc/36/76/84/434367684.db2.gz KGQSMCKPVYOEEH-MJGOQNOKSA-N 2 1 304.478 3.161 10 0 DGAEMP c1cn2c([nH+]1)CC[C@H]([NH2+][C@H]1CCCOc3cc4c(cc31)CCC4)C2 ZINC000360023381 434482786 /nfs/dbraw/zinc/48/27/86/434482786.db2.gz ZAVQCCQXBSYOII-WMZOPIPTSA-N 2 1 323.440 3.190 10 0 DGAEMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCC[C@@H]1CCOC1 ZINC000400516274 434488329 /nfs/dbraw/zinc/48/83/29/434488329.db2.gz BZTRSZSFRFCWIX-RLLQIKCJSA-N 2 1 316.489 3.303 10 0 DGAEMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCC[C@@H]1CCOC1 ZINC000400516274 434488335 /nfs/dbraw/zinc/48/83/35/434488335.db2.gz BZTRSZSFRFCWIX-RLLQIKCJSA-N 2 1 316.489 3.303 10 0 DGAEMP C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000528008344 295165937 /nfs/dbraw/zinc/16/59/37/295165937.db2.gz ZXUBEPQOOKBPMV-GGXPGOJBSA-N 2 1 302.462 3.053 10 0 DGAEMP COc1cccc(C2=CC[N@@H+](CCCn3ccnc3C)CC2)c1 ZINC000371352967 434675645 /nfs/dbraw/zinc/67/56/45/434675645.db2.gz HLRVXNKNIPNEKY-UHFFFAOYSA-N 2 1 311.429 3.380 10 0 DGAEMP COc1cccc(C2=CC[N@H+](CCCn3cc[nH+]c3C)CC2)c1 ZINC000371352967 434675647 /nfs/dbraw/zinc/67/56/47/434675647.db2.gz HLRVXNKNIPNEKY-UHFFFAOYSA-N 2 1 311.429 3.380 10 0 DGAEMP COc1cccc(C2=CC[N@@H+](CCCn3cc[nH+]c3C)CC2)c1 ZINC000371352967 434675651 /nfs/dbraw/zinc/67/56/51/434675651.db2.gz HLRVXNKNIPNEKY-UHFFFAOYSA-N 2 1 311.429 3.380 10 0 DGAEMP C[C@H](CC[NH+](C)C)[NH2+]Cc1ccc(C(=O)OC(C)(C)C)cc1 ZINC000360982252 434753742 /nfs/dbraw/zinc/75/37/42/434753742.db2.gz HOYXJCNRGQQSTA-CQSZACIVSA-N 2 1 306.450 3.072 10 0 DGAEMP CC(C)[N@H+](C)CCC[NH2+]Cc1ccc(C(=O)OC(C)(C)C)cc1 ZINC000462798261 434930134 /nfs/dbraw/zinc/93/01/34/434930134.db2.gz MLKUZKMDGOMEIU-UHFFFAOYSA-N 2 1 320.477 3.462 10 0 DGAEMP CC(C)[N@@H+](C)CCC[NH2+]Cc1ccc(C(=O)OC(C)(C)C)cc1 ZINC000462798261 434930136 /nfs/dbraw/zinc/93/01/36/434930136.db2.gz MLKUZKMDGOMEIU-UHFFFAOYSA-N 2 1 320.477 3.462 10 0 DGAEMP C[N@H+]1CCCC[C@H]1CCN1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000472729016 435140072 /nfs/dbraw/zinc/14/00/72/435140072.db2.gz PWMDUYPNNJKSRU-UXHICEINSA-N 2 1 321.553 3.449 10 0 DGAEMP c1cnn(CCC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)c1 ZINC000570681688 435640008 /nfs/dbraw/zinc/64/00/08/435640008.db2.gz BKYOXGMEGLLOCK-LJQANCHMSA-N 2 1 324.472 3.060 10 0 DGAEMP c1cnn(CCC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)c1 ZINC000570681688 435640011 /nfs/dbraw/zinc/64/00/11/435640011.db2.gz BKYOXGMEGLLOCK-LJQANCHMSA-N 2 1 324.472 3.060 10 0 DGAEMP FC(F)(F)CC[N@@H+](Cc1ccccc1)C[C@@H]1CCC[NH2+]C1 ZINC000261807553 303112817 /nfs/dbraw/zinc/11/28/17/303112817.db2.gz HKVGDQUGHCTPOX-OAHLLOKOSA-N 2 1 300.368 3.441 10 0 DGAEMP FC(F)(F)CC[N@H+](Cc1ccccc1)C[C@@H]1CCC[NH2+]C1 ZINC000261807553 303112820 /nfs/dbraw/zinc/11/28/20/303112820.db2.gz HKVGDQUGHCTPOX-OAHLLOKOSA-N 2 1 300.368 3.441 10 0 DGAEMP COc1ccc([C@@H](C)C[NH2+]C[C@H](C)Cn2cc[nH+]c2C)cc1 ZINC000182461892 323299835 /nfs/dbraw/zinc/29/98/35/323299835.db2.gz LDIBKYLMGJESAF-GJZGRUSLSA-N 2 1 301.434 3.230 10 0 DGAEMP c1nc(-c2ccccc2)sc1C[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000581251393 324095676 /nfs/dbraw/zinc/09/56/76/324095676.db2.gz PNRYMVGEGGTHRX-GOSISDBHSA-N 2 1 313.470 3.386 10 0 DGAEMP c1nc(-c2ccccc2)sc1C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000581251393 324095681 /nfs/dbraw/zinc/09/56/81/324095681.db2.gz PNRYMVGEGGTHRX-GOSISDBHSA-N 2 1 313.470 3.386 10 0 DGAEMP c1ccc(C[N@H+]2CC[C@@H]([NH2+]CCc3ccccn3)CC23CC3)cc1 ZINC000581369096 324110669 /nfs/dbraw/zinc/11/06/69/324110669.db2.gz DSAKPXALGBAWRT-HXUWFJFHSA-N 2 1 321.468 3.411 10 0 DGAEMP c1ccc(C[N@@H+]2CC[C@@H]([NH2+]CCc3ccccn3)CC23CC3)cc1 ZINC000581369096 324110673 /nfs/dbraw/zinc/11/06/73/324110673.db2.gz DSAKPXALGBAWRT-HXUWFJFHSA-N 2 1 321.468 3.411 10 0 DGAEMP c1ccc(C[N@@H+]2CC[C@@H]([NH2+][C@@H]3CCCOCC3)CC23CC3)cc1 ZINC000584529272 337356450 /nfs/dbraw/zinc/35/64/50/337356450.db2.gz YOBWULFVZCPYET-RTBURBONSA-N 2 1 314.473 3.342 10 0 DGAEMP c1ccc(C[N@H+]2CC[C@@H]([NH2+][C@@H]3CCCOCC3)CC23CC3)cc1 ZINC000584529272 337356451 /nfs/dbraw/zinc/35/64/51/337356451.db2.gz YOBWULFVZCPYET-RTBURBONSA-N 2 1 314.473 3.342 10 0 DGAEMP Cc1ncc([C@@H](C)[NH2+]C2CCN(c3ccc(C)c[nH+]3)CC2)s1 ZINC000090417921 527305252 /nfs/dbraw/zinc/30/52/52/527305252.db2.gz NNORDNBVPDHMOV-CYBMUJFWSA-N 2 1 316.474 3.475 10 0 DGAEMP O[C@@H](C[C@H]1CCCCC[N@H+]1CCC[NH+]1CCCC1)c1ccco1 ZINC000163399787 527663312 /nfs/dbraw/zinc/66/33/12/527663312.db2.gz UNNUXKPNRGHNAB-MSOLQXFVSA-N 2 1 320.477 3.434 10 0 DGAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1nc2ccccc2nc1C ZINC000178332520 546129248 /nfs/dbraw/zinc/12/92/48/546129248.db2.gz HOSQZOPPUXNONJ-INIZCTEOSA-N 2 1 321.428 3.108 10 0 DGAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1nc2ccccc2nc1C ZINC000178332520 546129252 /nfs/dbraw/zinc/12/92/52/546129252.db2.gz HOSQZOPPUXNONJ-INIZCTEOSA-N 2 1 321.428 3.108 10 0 DGAEMP Cn1cccc1C[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000272618543 546357259 /nfs/dbraw/zinc/35/72/59/546357259.db2.gz XQIBWNOYTLKVRN-YSIASYRMSA-N 2 1 309.457 3.025 10 0 DGAEMP c1c(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)onc1-c1ccccc1 ZINC000321319945 546470238 /nfs/dbraw/zinc/47/02/38/546470238.db2.gz QONBIJVXWJHUGZ-AEFFLSMTSA-N 2 1 311.429 3.306 10 0 DGAEMP c1c(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)onc1-c1ccccc1 ZINC000321319945 546470242 /nfs/dbraw/zinc/47/02/42/546470242.db2.gz QONBIJVXWJHUGZ-AEFFLSMTSA-N 2 1 311.429 3.306 10 0 DGAEMP c1ccc(CC[N@H+]2CC[C@@H](C[NH2+][C@@H]3CCCSC3)C2)cc1 ZINC000131376597 626632133 /nfs/dbraw/zinc/63/21/33/626632133.db2.gz VYUUKPDBMGLMKD-ZWKOTPCHSA-N 2 1 304.503 3.036 10 0 DGAEMP CCC[C@](C)(O)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716619606 661224994 /nfs/dbraw/zinc/22/49/94/661224994.db2.gz FXAUQQXZQCIIEO-MUGJNUQGSA-N 2 1 316.489 3.180 10 0 DGAEMP C[C@H]([NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2)c1cn[nH]c1 ZINC000716643468 661226101 /nfs/dbraw/zinc/22/61/01/661226101.db2.gz GCFQEPIGTLVNAT-WQCNXYOZSA-N 2 1 310.445 3.113 10 0 DGAEMP CC[C@H](COC)[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716674219 661226428 /nfs/dbraw/zinc/22/64/28/661226428.db2.gz VVUQRZOZJNCFHG-MANSERQUSA-N 2 1 302.462 3.054 10 0 DGAEMP COCCCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716674518 661226503 /nfs/dbraw/zinc/22/65/03/661226503.db2.gz XYAIMMDAIQXDHO-OTWHNJEPSA-N 2 1 302.462 3.056 10 0 DGAEMP CCOCCCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716703090 661227723 /nfs/dbraw/zinc/22/77/23/661227723.db2.gz XMKIOTKYOLHAMV-UFYCRDLUSA-N 2 1 316.489 3.446 10 0 DGAEMP CCC1(C[NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)COC1 ZINC000716732184 661227968 /nfs/dbraw/zinc/22/79/68/661227968.db2.gz NWJCJXDRPIKMAA-FHWLQOOXSA-N 2 1 314.473 3.056 10 0 DGAEMP C[C@@H]1C[C@@H]([NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)CCO1 ZINC000716726627 661228085 /nfs/dbraw/zinc/22/80/85/661228085.db2.gz DUMGULSFFDVYID-HTDHLNIYSA-N 2 1 314.473 3.197 10 0 DGAEMP C[C@@H]1C[C@H]([NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)CCO1 ZINC000716726629 661228187 /nfs/dbraw/zinc/22/81/87/661228187.db2.gz DUMGULSFFDVYID-XZEJUNMKSA-N 2 1 314.473 3.197 10 0 DGAEMP C[C@]1(C[NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)CCCO1 ZINC000716731348 661228194 /nfs/dbraw/zinc/22/81/94/661228194.db2.gz CVERRNVYMWJFNT-ZGXWSNOMSA-N 2 1 314.473 3.198 10 0 DGAEMP CC1(C)OCC[C@@H]1[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716730470 661228206 /nfs/dbraw/zinc/22/82/06/661228206.db2.gz WYZPWWIRBSIEAQ-VJANTYMQSA-N 2 1 314.473 3.197 10 0 DGAEMP C[C@@H]1C[N@@H+](Cc2ccc(F)cc2Br)C[C@H]1CC[NH3+] ZINC000723890442 656503739 /nfs/dbraw/zinc/50/37/39/656503739.db2.gz FCMFDNZTVKWTFY-GHMZBOCLSA-N 2 1 315.230 3.005 10 0 DGAEMP c1cc(C[N@H+](CC[C@H]2CCOC2)[C@H]2CC23CC[NH2+]CC3)cs1 ZINC000261999328 657279207 /nfs/dbraw/zinc/27/92/07/657279207.db2.gz TXNHYCNVRQRIIY-RDJZCZTQSA-N 2 1 320.502 3.119 10 0 DGAEMP COCC[N@H+]1CCC[C@]2(CCN(C/C(C)=C\c3ccco3)C2)C1 ZINC000096856796 657559245 /nfs/dbraw/zinc/55/92/45/657559245.db2.gz WQNJPFGVFFUXFW-LYDJUCFBSA-N 2 1 318.461 3.117 10 0 DGAEMP COCC[NH+]1CCC[C@]2(CC[N@H+](C/C(C)=C\c3ccco3)C2)C1 ZINC000096856796 657559255 /nfs/dbraw/zinc/55/92/55/657559255.db2.gz WQNJPFGVFFUXFW-LYDJUCFBSA-N 2 1 318.461 3.117 10 0 DGAEMP COCC[NH+]1CCC[C@]2(CC[N@@H+](C/C(C)=C\c3ccco3)C2)C1 ZINC000096856796 657559258 /nfs/dbraw/zinc/55/92/58/657559258.db2.gz WQNJPFGVFFUXFW-LYDJUCFBSA-N 2 1 318.461 3.117 10 0 DGAEMP C[C@H]([NH2+][C@@H]1CCCc2n[nH]cc21)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000353684454 660026960 /nfs/dbraw/zinc/02/69/60/660026960.db2.gz SIUDXZMRTSPRKA-VDZJLULYSA-N 2 1 324.472 3.287 10 0 DGAEMP CO[C@H]1CCC[C@@H]([NH2+]CCC[N@@H+](C)Cc2ccccc2)CC1 ZINC000718838578 662262378 /nfs/dbraw/zinc/26/23/78/662262378.db2.gz BHVPMFKWZXUKEQ-MOPGFXCFSA-N 2 1 304.478 3.446 10 0 DGAEMP COC(C)(C)[C@H](C)[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000720148547 662303115 /nfs/dbraw/zinc/30/31/15/662303115.db2.gz KXDJYOMFZCXSQV-WNHJNPCNSA-N 2 1 316.489 3.443 10 0 DGAEMP CCC[C@@H](C)C[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000390723581 685203823 /nfs/dbraw/zinc/20/38/23/685203823.db2.gz ZVZUBYZUEMHAME-MJGOQNOKSA-N 2 1 304.478 3.303 10 0 DGAEMP CCC[C@@H](C)C[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000390723581 685203830 /nfs/dbraw/zinc/20/38/30/685203830.db2.gz ZVZUBYZUEMHAME-MJGOQNOKSA-N 2 1 304.478 3.303 10 0 DGAEMP c1[nH]nc2cc(C[NH2+]C3CC[NH+](Cc4ccccc4)CC3)ccc12 ZINC000236741074 1202622622 /nfs/dbraw/zinc/62/26/22/1202622622.db2.gz KRWLYCTVUMBVQR-UHFFFAOYSA-N 2 1 320.440 3.317 10 0 DGAEMP