smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc(N2CC[NH+](C[C@H](O)C[N@H+](C)[C@H](C)CO)CC2)cc1 ZINC000754069984 579412302 /nfs/dbraw/zinc/41/23/02/579412302.db2.gz JDNCHUUCSADBJS-NVXWUHKLSA-N 2 2 337.464 0.491 20 10 ECCDLP COc1ccc(N2CC[NH+](C[C@H](O)C[N@@H+](C)[C@H](C)CO)CC2)cc1 ZINC000754069984 579412303 /nfs/dbraw/zinc/41/23/03/579412303.db2.gz JDNCHUUCSADBJS-NVXWUHKLSA-N 2 2 337.464 0.491 20 10 ECCDLP COc1ccc(N2CC[NH+](C[C@@H](O)C[NH2+]C3CCOCC3)CC2)cc1 ZINC000758210271 579468669 /nfs/dbraw/zinc/46/86/69/579468669.db2.gz OSKQZBFJDAKNMW-SFHVURJKSA-N 2 2 349.475 0.947 20 10 ECCDLP COC(=O)[C@H]1[C@H](O)CCC[N@@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000783705074 578744696 /nfs/dbraw/zinc/74/46/96/578744696.db2.gz UXQQQVMSHDXQPW-QZTJIDSGSA-N 2 2 347.459 0.937 20 10 ECCDLP COC(=O)[C@H]1[C@H](O)CCC[N@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000783705074 578744697 /nfs/dbraw/zinc/74/46/97/578744697.db2.gz UXQQQVMSHDXQPW-QZTJIDSGSA-N 2 2 347.459 0.937 20 10 ECCDLP COc1ccc(N2CC[NH+](C[C@H](O)C[NH2+]C[C@H]3CCN3C)CC2)cc1 ZINC000905547412 586898838 /nfs/dbraw/zinc/89/88/38/586898838.db2.gz WPCLXBDJMXDIEU-QZTJIDSGSA-N 2 2 348.491 0.472 20 10 ECCDLP COc1ccc(N2CC[NH+](C[C@H](O)CNC[C@H]3CC[N@H+]3C)CC2)cc1 ZINC000905547412 586898842 /nfs/dbraw/zinc/89/88/42/586898842.db2.gz WPCLXBDJMXDIEU-QZTJIDSGSA-N 2 2 348.491 0.472 20 10 ECCDLP O=C(NCc1ccc(N2CC[NH2+]CC2)c(F)c1)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000368650032 438360891 /nfs/dbraw/zinc/36/08/91/438360891.db2.gz MQUTVMHWJGOVAG-ZDUSSCGKSA-N 2 2 342.365 0.849 20 10 ECCDLP COc1ccc(N2CC[NH+](C[C@H](O)C[N@@H+]3CCC[C@H]3CO)CC2)cc1 ZINC000779224097 579314437 /nfs/dbraw/zinc/31/44/37/579314437.db2.gz YMDULAZWHYWROT-ROUUACIJSA-N 2 2 349.475 0.635 20 10 ECCDLP COc1ccc(N2CC[NH+](C[C@H](O)C[N@H+]3CCC[C@H]3CO)CC2)cc1 ZINC000779224097 579314438 /nfs/dbraw/zinc/31/44/38/579314438.db2.gz YMDULAZWHYWROT-ROUUACIJSA-N 2 2 349.475 0.635 20 10 ECCDLP COCC1C[NH+](C[C@H](O)C[NH+]2CCN(c3ccc(OC)cc3)CC2)C1 ZINC000905972739 586925814 /nfs/dbraw/zinc/92/58/14/586925814.db2.gz SSFHUVKKIXGUJN-GOSISDBHSA-N 2 2 349.475 0.756 20 10 ECCDLP COc1ccc(N2CC[NH+](C[C@@H](O)C[NH2+]C[C@@H](C)OC)CC2)cc1 ZINC000849328628 589325765 /nfs/dbraw/zinc/32/57/65/589325765.db2.gz HTPIYUDKQHKHMW-WBVHZDCISA-N 2 2 337.464 0.803 20 10 ECCDLP Cc1cccc(C[NH2+][C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1O ZINC000181346924 437317336 /nfs/dbraw/zinc/31/73/36/437317336.db2.gz PPJWILAWXYZABU-MRXNPFEDSA-N 2 2 333.432 0.723 20 10 ECCDLP COc1ccc(N2CC[NH+](C[C@H](O)C[NH2+][C@@H]3CCCOC3)CC2)cc1 ZINC000819028719 587464707 /nfs/dbraw/zinc/46/47/07/587464707.db2.gz OTDYZKDYXZCNKD-SJLPKXTDSA-N 2 2 349.475 0.947 20 10 ECCDLP C[NH+](C)CCN1CC[N@H+](Cc2cc3c(cc2O)OC[C@@H]3O)CC1=O ZINC000844713737 589117528 /nfs/dbraw/zinc/11/75/28/589117528.db2.gz FITMAXRTDAQKDY-HNNXBMFYSA-N 2 2 335.404 0.024 20 10 ECCDLP C[NH+](C)CCN1CC[N@@H+](Cc2cc3c(cc2O)OC[C@@H]3O)CC1=O ZINC000844713737 589117530 /nfs/dbraw/zinc/11/75/30/589117530.db2.gz FITMAXRTDAQKDY-HNNXBMFYSA-N 2 2 335.404 0.024 20 10 ECCDLP COc1ccc(N2CCN(C(=O)[C@H]([NH3+])CC[NH+](C)C)CC2)cc1F ZINC000846674204 589218429 /nfs/dbraw/zinc/21/84/29/589218429.db2.gz KCXQUCSAXJBALM-OAHLLOKOSA-N 2 2 338.427 0.762 20 10 ECCDLP Oc1cc2c(cc1C[N@@H+]1CC[C@@H](C[NH+]3CCOCC3)C1)[C@H](O)CO2 ZINC000768466599 579126389 /nfs/dbraw/zinc/12/63/89/579126389.db2.gz SRJUUVSXQGRXGH-SUMWQHHRSA-N 2 2 334.416 0.972 20 10 ECCDLP Oc1cc2c(cc1C[N@H+]1CC[C@@H](C[NH+]3CCOCC3)C1)[C@H](O)CO2 ZINC000768466599 579126390 /nfs/dbraw/zinc/12/63/90/579126390.db2.gz SRJUUVSXQGRXGH-SUMWQHHRSA-N 2 2 334.416 0.972 20 10 ECCDLP COc1ccc(N2CC[NH+](C[C@@H](O)C[NH2+][C@H]3CCC[C@@H]3O)CC2)cc1 ZINC000872224633 590105575 /nfs/dbraw/zinc/10/55/75/590105575.db2.gz HJKVQGZAOGOWDD-WDSOQIARSA-N 2 2 349.475 0.681 20 10 ECCDLP Cc1cccc(O)c1C[NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000877152387 590441139 /nfs/dbraw/zinc/44/11/39/590441139.db2.gz MMOYJYSRBHNJHX-HNNXBMFYSA-N 2 2 333.432 0.723 20 10 ECCDLP COc1ccc(N2CC[NH+](CCNC(=O)[C@@H]3CCC[NH2+]3)CC2)cc1 ZINC000269314260 436657717 /nfs/dbraw/zinc/65/77/17/436657717.db2.gz YMBAQNDQDLLCHP-KRWDZBQOSA-N 2 2 332.448 0.685 20 10 ECCDLP O=C1C[C@H]([NH2+][C@H]2CCc3cccc(O)c32)CN1CC[NH+]1CCOCC1 ZINC000296986352 437000503 /nfs/dbraw/zinc/00/05/03/437000503.db2.gz SCLGMRGAGXSLOM-HOTGVXAUSA-N 2 2 345.443 0.902 20 10 ECCDLP COc1ccc(N2CC[NH+](C[C@@H](O)C[N@@H+]3CCC[C@@H](O)C3)CC2)cc1 ZINC000779217888 579314323 /nfs/dbraw/zinc/31/43/23/579314323.db2.gz JJRCOJJWKVGBTM-QZTJIDSGSA-N 2 2 349.475 0.635 20 10 ECCDLP COc1ccc(N2CC[NH+](C[C@@H](O)C[N@H+]3CCC[C@@H](O)C3)CC2)cc1 ZINC000779217888 579314324 /nfs/dbraw/zinc/31/43/24/579314324.db2.gz JJRCOJJWKVGBTM-QZTJIDSGSA-N 2 2 349.475 0.635 20 10 ECCDLP CC(C)NC(=O)C[N@H+](C)CC(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832278099 588477636 /nfs/dbraw/zinc/47/76/36/588477636.db2.gz ADPBIEPYPJCZFJ-MRXNPFEDSA-N 2 2 349.479 0.325 20 10 ECCDLP CC(C)NC(=O)C[N@@H+](C)CC(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832278099 588477637 /nfs/dbraw/zinc/47/76/37/588477637.db2.gz ADPBIEPYPJCZFJ-MRXNPFEDSA-N 2 2 349.479 0.325 20 10 ECCDLP C[NH2+]C[C@H]1CC[N@H+](CC(=O)N2CCN(c3ccc(OC)cc3)CC2)C1 ZINC000844219201 589103568 /nfs/dbraw/zinc/10/35/68/589103568.db2.gz HWLRWGKQINIHGB-MRXNPFEDSA-N 2 2 346.475 0.885 20 10 ECCDLP C[NH2+]C[C@H]1CC[N@@H+](CC(=O)N2CCN(c3ccc(OC)cc3)CC2)C1 ZINC000844219201 589103569 /nfs/dbraw/zinc/10/35/69/589103569.db2.gz HWLRWGKQINIHGB-MRXNPFEDSA-N 2 2 346.475 0.885 20 10 ECCDLP CN(C)c1ccc(CNC(=O)C[NH+]2CCN(c3[nH]cc[nH+]3)CC2)cc1 ZINC000846878904 589227952 /nfs/dbraw/zinc/22/79/52/589227952.db2.gz UPXDZWZKLDBNKU-UHFFFAOYSA-N 2 2 342.447 0.914 20 10 ECCDLP COc1ccc(N2CC[NH+](C[C@@H](O)C[NH2+][C@H]3C[C@H](O)C3)CC2)cc1 ZINC000853130979 589532992 /nfs/dbraw/zinc/53/29/92/589532992.db2.gz MQJMBQFTTRBXPR-XIRDDKMYSA-N 2 2 335.448 0.291 20 10 ECCDLP COc1ccc(N2CC[NH+](C[C@H](O)C[N@@H+]3C[C@H](O)C[C@@H]3C)CC2)cc1 ZINC000754083252 579412640 /nfs/dbraw/zinc/41/26/40/579412640.db2.gz YFWZRNQLTUERRU-JQHSSLGASA-N 2 2 349.475 0.633 20 10 ECCDLP COc1ccc(N2CC[NH+](C[C@H](O)C[N@H+]3C[C@H](O)C[C@@H]3C)CC2)cc1 ZINC000754083252 579412642 /nfs/dbraw/zinc/41/26/42/579412642.db2.gz YFWZRNQLTUERRU-JQHSSLGASA-N 2 2 349.475 0.633 20 10 ECCDLP COc1ccc(N2CC[NH+](C[C@H](O)C[NH2+][C@@H](C)CCO)CC2)cc1 ZINC000843083364 589049627 /nfs/dbraw/zinc/04/96/27/589049627.db2.gz PGKFLBRQAJZQSP-DOTOQJQBSA-N 2 2 337.464 0.539 20 10 ECCDLP CC(C)NC(=O)C[N@H+](C)CC(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832278098 588477709 /nfs/dbraw/zinc/47/77/09/588477709.db2.gz ADPBIEPYPJCZFJ-INIZCTEOSA-N 2 2 349.479 0.325 20 10 ECCDLP CC(C)NC(=O)C[N@@H+](C)CC(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832278098 588477710 /nfs/dbraw/zinc/47/77/10/588477710.db2.gz ADPBIEPYPJCZFJ-INIZCTEOSA-N 2 2 349.479 0.325 20 10 ECCDLP CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1CC[C@@H](C[NH+](C)C)C1)cc2=O ZINC000114199553 436640068 /nfs/dbraw/zinc/64/00/68/436640068.db2.gz NUYCNLWTZTZXCT-LBPRGKRZSA-N 2 2 347.419 0.995 20 10 ECCDLP CCOC(=O)c1cnn2c1[nH]c(C[N@H+]1CC[C@@H](C[NH+](C)C)C1)cc2=O ZINC000114199553 436640069 /nfs/dbraw/zinc/64/00/69/436640069.db2.gz NUYCNLWTZTZXCT-LBPRGKRZSA-N 2 2 347.419 0.995 20 10 ECCDLP COc1ccc([NH+]2CCC(N(C)C(=O)[C@@H]([NH3+])CC(N)=O)CC2)cc1 ZINC000364923724 437825916 /nfs/dbraw/zinc/82/59/16/437825916.db2.gz MCOYKLQYIMAXQS-HNNXBMFYSA-N 2 2 334.420 0.325 20 10 ECCDLP CC[C@H](CO)[NH2+]C[C@H](O)C[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000758185627 579468312 /nfs/dbraw/zinc/46/83/12/579468312.db2.gz JWSDQYYAAPICSI-WBVHZDCISA-N 2 2 337.464 0.539 20 10 ECCDLP COc1c(O)c(C[N@H+](C)CC(=O)N2CC[NH2+]CC2)ccc1[N+](=O)[O-] ZINC000843044584 589047522 /nfs/dbraw/zinc/04/75/22/589047522.db2.gz KINORVLSWBLIHA-UHFFFAOYSA-N 2 2 338.364 0.173 20 10 ECCDLP COc1c(O)c(C[N@@H+](C)CC(=O)N2CC[NH2+]CC2)ccc1[N+](=O)[O-] ZINC000843044584 589047524 /nfs/dbraw/zinc/04/75/24/589047524.db2.gz KINORVLSWBLIHA-UHFFFAOYSA-N 2 2 338.364 0.173 20 10 ECCDLP COc1ccc(N2CC[NH+](C[C@H](O)C[NH2+]CC3(C)COC3)CC2)cc1 ZINC000819063671 587466413 /nfs/dbraw/zinc/46/64/13/587466413.db2.gz PIKHBMSBMCPOCJ-QGZVFWFLSA-N 2 2 349.475 0.804 20 10 ECCDLP COc1ccc(N2CC[NH+](CCNC(=O)Cc3[nH]cc[nH+]3)CC2)cc1 ZINC000824285618 587865551 /nfs/dbraw/zinc/86/55/51/587865551.db2.gz PMHAQCYTIGHUJR-UHFFFAOYSA-N 2 2 343.431 0.899 20 10 ECCDLP COc1ccc(N2CC[NH+](C[C@@H](O)C[N@@H+]3CC[C@@H](O)[C@H]3C)CC2)cc1 ZINC000832220599 588475381 /nfs/dbraw/zinc/47/53/81/588475381.db2.gz YZSGBYULOPSUHH-SZVBFZGTSA-N 2 2 349.475 0.633 20 10 ECCDLP COc1ccc(N2CC[NH+](C[C@@H](O)C[N@H+]3CC[C@@H](O)[C@H]3C)CC2)cc1 ZINC000832220599 588475383 /nfs/dbraw/zinc/47/53/83/588475383.db2.gz YZSGBYULOPSUHH-SZVBFZGTSA-N 2 2 349.475 0.633 20 10 ECCDLP C[NH+]1CCN(c2ccc(C[NH2+]Cc3nc(C[NH3+])cc(=O)[nH]3)cc2)CC1 ZINC000863648120 590028783 /nfs/dbraw/zinc/02/87/83/590028783.db2.gz KCJOWIGZARGNMG-UHFFFAOYSA-N 3 2 342.447 0.683 20 10 ECCDLP O=C1C[C@H]([NH2+]Cc2cc(F)ccc2O)CN1CC[NH+]1CCOCC1 ZINC000180924345 437306477 /nfs/dbraw/zinc/30/64/77/437306477.db2.gz KVBRUYKOLGDNLV-HNNXBMFYSA-N 2 2 337.395 0.554 20 10 ECCDLP CCOC(=O)c1cnn2c1[nH]c(C[N@H+]1C[C@H]3C[NH+](C)C[C@H]3C1)cc2=O ZINC000193624079 437711500 /nfs/dbraw/zinc/71/15/00/437711500.db2.gz JRQZLXXDVYKMFJ-TXEJJXNPSA-N 2 2 345.403 0.605 20 10 ECCDLP CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1C[C@H]3C[NH+](C)C[C@H]3C1)cc2=O ZINC000193624079 437711504 /nfs/dbraw/zinc/71/15/04/437711504.db2.gz JRQZLXXDVYKMFJ-TXEJJXNPSA-N 2 2 345.403 0.605 20 10 ECCDLP CCOC(=O)c1cnn2c1[nH]c(C[NH+]1C[C@H]3C[N@@H+](C)C[C@H]3C1)cc2=O ZINC000193624079 437711507 /nfs/dbraw/zinc/71/15/07/437711507.db2.gz JRQZLXXDVYKMFJ-TXEJJXNPSA-N 2 2 345.403 0.605 20 10 ECCDLP CCOC(=O)c1cnn2c1[nH]c(C[NH+]1C[C@H]3C[N@H+](C)C[C@H]3C1)cc2=O ZINC000193624079 437711511 /nfs/dbraw/zinc/71/15/11/437711511.db2.gz JRQZLXXDVYKMFJ-TXEJJXNPSA-N 2 2 345.403 0.605 20 10 ECCDLP COC(=O)[C@H]1[C@@H](O)CCC[N@@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000783705077 578744759 /nfs/dbraw/zinc/74/47/59/578744759.db2.gz UXQQQVMSHDXQPW-ZWKOTPCHSA-N 2 2 347.459 0.937 20 10 ECCDLP COC(=O)[C@H]1[C@@H](O)CCC[N@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000783705077 578744760 /nfs/dbraw/zinc/74/47/60/578744760.db2.gz UXQQQVMSHDXQPW-ZWKOTPCHSA-N 2 2 347.459 0.937 20 10 ECCDLP COc1ccc(N2CC[NH+](C[C@H](O)C[NH2+][C@H](CO)C3CC3)CC2)cc1 ZINC000771806925 579195398 /nfs/dbraw/zinc/19/53/98/579195398.db2.gz JWCDSAFMJJAEKC-IEBWSBKVSA-N 2 2 349.475 0.539 20 10 ECCDLP C[NH+]1CCN(c2ccc(C[NH2+]C[C@@H](O)C[NH+]3CCCC3)cc2)CC1 ZINC000905427411 586893386 /nfs/dbraw/zinc/89/33/86/586893386.db2.gz NWNYPRVSMVUGEU-LJQANCHMSA-N 3 2 332.492 0.985 20 10 ECCDLP COc1ccc(N2CC[NH+](C[C@@H](O)C[NH2+][C@@H]3CCCOC3)CC2)cc1 ZINC000819028717 587464556 /nfs/dbraw/zinc/46/45/56/587464556.db2.gz OTDYZKDYXZCNKD-AEFFLSMTSA-N 2 2 349.475 0.947 20 10 ECCDLP C[C@@H](NC(=O)[C@@H]([NH3+])CC[NH+](C)C)c1ccc(N2CCOCC2)cc1 ZINC000846672221 589217978 /nfs/dbraw/zinc/21/79/78/589217978.db2.gz DMSJKKQWKVUANS-PBHICJAKSA-N 2 2 334.464 0.979 20 10 ECCDLP COc1ccc(N2CC[C@H](CNC(=O)[C@@H]([NH3+])CC[NH+](C)C)C2)cc1 ZINC000846682820 589218711 /nfs/dbraw/zinc/21/87/11/589218711.db2.gz MLPYMNWVYUIHJZ-PBHICJAKSA-N 2 2 334.464 0.917 20 10 ECCDLP COc1ccc(N2CC[NH+](CCNC(=O)[C@H]3CCC[NH2+]3)CC2)cc1 ZINC000272516889 436719570 /nfs/dbraw/zinc/71/95/70/436719570.db2.gz YMBAQNDQDLLCHP-QGZVFWFLSA-N 2 2 332.448 0.685 20 10 ECCDLP C[C@@H]([NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccccc1O ZINC000183609964 437387697 /nfs/dbraw/zinc/38/76/97/437387697.db2.gz DJPZKCOGCTWKPH-CABCVRRESA-N 2 2 333.432 0.976 20 10 ECCDLP COc1ccc(N2CC[NH+](C[C@@H](O)C[N@@H+]3CCCOCC3)CC2)cc1 ZINC000754031330 579411337 /nfs/dbraw/zinc/41/13/37/579411337.db2.gz HAJDIPLEXGCYBX-SFHVURJKSA-N 2 2 349.475 0.900 20 10 ECCDLP COc1ccc(N2CC[NH+](C[C@@H](O)C[N@H+]3CCCOCC3)CC2)cc1 ZINC000754031330 579411339 /nfs/dbraw/zinc/41/13/39/579411339.db2.gz HAJDIPLEXGCYBX-SFHVURJKSA-N 2 2 349.475 0.900 20 10 ECCDLP C[N@@H+]1CCN(C(=O)NCc2ccc(N3CCOCC3)cc2)[C@H](C[NH3+])C1 ZINC000841730061 588999480 /nfs/dbraw/zinc/99/94/80/588999480.db2.gz NDTYSAJEYHUKOZ-QGZVFWFLSA-N 2 2 347.463 0.308 20 10 ECCDLP C[N@H+]1CCN(C(=O)NCc2ccc(N3CCOCC3)cc2)[C@H](C[NH3+])C1 ZINC000841730061 588999481 /nfs/dbraw/zinc/99/94/81/588999481.db2.gz NDTYSAJEYHUKOZ-QGZVFWFLSA-N 2 2 347.463 0.308 20 10 ECCDLP COc1ccc(N2CCN(C(=O)C[NH2+]CC3([NH3+])CCC3)CC2)cc1 ZINC000844222570 589103556 /nfs/dbraw/zinc/10/35/56/589103556.db2.gz HGUWEKFCLOCUTF-UHFFFAOYSA-N 2 2 332.448 0.815 20 10 ECCDLP C[NH+](C)CCN1CC[N@H+](Cc2cc3c(cc2O)OC[C@H]3O)CC1=O ZINC000844713738 589117238 /nfs/dbraw/zinc/11/72/38/589117238.db2.gz FITMAXRTDAQKDY-OAHLLOKOSA-N 2 2 335.404 0.024 20 10 ECCDLP C[NH+](C)CCN1CC[N@@H+](Cc2cc3c(cc2O)OC[C@H]3O)CC1=O ZINC000844713738 589117239 /nfs/dbraw/zinc/11/72/39/589117239.db2.gz FITMAXRTDAQKDY-OAHLLOKOSA-N 2 2 335.404 0.024 20 10 ECCDLP COc1cccc(C[NH2+][C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1O ZINC000269352918 436663493 /nfs/dbraw/zinc/66/34/93/436663493.db2.gz KZLUGKHPBUOYDF-HNNXBMFYSA-N 2 2 349.431 0.424 20 10 ECCDLP O=C1C[C@@H]([NH2+][C@H]2CCc3cccc(O)c32)CN1CC[NH+]1CCOCC1 ZINC000296986347 436999917 /nfs/dbraw/zinc/99/99/17/436999917.db2.gz SCLGMRGAGXSLOM-CVEARBPZSA-N 2 2 345.443 0.902 20 10 ECCDLP COc1ccc(N2CC[NH+](C[C@@H](O)C[N@@H+]3CC[C@H](CO)C3)CC2)cc1 ZINC000779221937 579314381 /nfs/dbraw/zinc/31/43/81/579314381.db2.gz DJQHVXIMTPTKAX-FUHWJXTLSA-N 2 2 349.475 0.492 20 10 ECCDLP COc1ccc(N2CC[NH+](C[C@@H](O)C[N@H+]3CC[C@H](CO)C3)CC2)cc1 ZINC000779221937 579314382 /nfs/dbraw/zinc/31/43/82/579314382.db2.gz DJQHVXIMTPTKAX-FUHWJXTLSA-N 2 2 349.475 0.492 20 10 ECCDLP CC[NH2+]CCNC(=O)C(=O)NC1CC[NH+](c2ccc(OC)cc2)CC1 ZINC000842186881 589018974 /nfs/dbraw/zinc/01/89/74/589018974.db2.gz LOQWOOCSUQKQHH-UHFFFAOYSA-N 2 2 348.447 0.506 20 10 ECCDLP Cn1ncnc1C1(O)C[NH+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000895617952 586193106 /nfs/dbraw/zinc/19/31/06/586193106.db2.gz BAXAWYYDPCIYJP-UHFFFAOYSA-N 2 2 342.447 0.270 20 10 ECCDLP COC[C@@H]1CC[N@@H+]1C[C@@H](O)C[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000815127601 587283109 /nfs/dbraw/zinc/28/31/09/587283109.db2.gz CBYBZJIXORBDLL-ROUUACIJSA-N 2 2 349.475 0.899 20 10 ECCDLP COC[C@@H]1CC[N@H+]1C[C@@H](O)C[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000815127601 587283110 /nfs/dbraw/zinc/28/31/10/587283110.db2.gz CBYBZJIXORBDLL-ROUUACIJSA-N 2 2 349.475 0.899 20 10 ECCDLP CN(C)c1ccc([C@@H]([NH3+])CNC(=O)/C=C\C[NH+]2CCOCC2)cc1 ZINC000876505887 590383663 /nfs/dbraw/zinc/38/36/63/590383663.db2.gz BYZVYZWTVRUFSA-LIMHQNJXSA-N 2 2 332.448 0.757 20 10 ECCDLP COc1ccc(N2CC[NH+](C[C@H](O)C[N@@H+]3CC=C[C@@H]3CO)CC2)cc1 ZINC000880489932 590396407 /nfs/dbraw/zinc/39/64/07/590396407.db2.gz ZFPJNJXJQYRHDO-MSOLQXFVSA-N 2 2 347.459 0.411 20 10 ECCDLP COc1ccc(N2CC[NH+](C[C@H](O)C[N@H+]3CC=C[C@@H]3CO)CC2)cc1 ZINC000880489932 590396410 /nfs/dbraw/zinc/39/64/10/590396410.db2.gz ZFPJNJXJQYRHDO-MSOLQXFVSA-N 2 2 347.459 0.411 20 10 ECCDLP O=C(N1CC[NH2+]CC1)N1CC[NH+](Cc2cc3c(cc2O)OCO3)CC1 ZINC000530241204 439493454 /nfs/dbraw/zinc/49/34/54/439493454.db2.gz DEOVPERQYHVTKN-UHFFFAOYSA-N 2 2 348.403 0.264 20 10 ECCDLP COC[C@@H](C)[NH2+]C[C@@H](O)C[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000758183958 579468292 /nfs/dbraw/zinc/46/82/92/579468292.db2.gz CAMWDVAHLJXYMT-NVXWUHKLSA-N 2 2 337.464 0.803 20 10 ECCDLP COCCN1CC[N@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)CC1=O ZINC000779605614 579318578 /nfs/dbraw/zinc/31/85/78/579318578.db2.gz WGKCFJXKYIBPLZ-UHFFFAOYSA-N 2 2 346.475 0.729 20 10 ECCDLP COCCN1CC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)CC1=O ZINC000779605614 579318579 /nfs/dbraw/zinc/31/85/79/579318579.db2.gz WGKCFJXKYIBPLZ-UHFFFAOYSA-N 2 2 346.475 0.729 20 10 ECCDLP COc1ccc(N2CC[NH+](CCNC(=O)N3CC[NH2+]CC3)CC2)cc1 ZINC000841749259 588999717 /nfs/dbraw/zinc/99/97/17/588999717.db2.gz BYVCWQACNJEKCL-UHFFFAOYSA-N 2 2 347.463 0.432 20 10 ECCDLP COc1ccc(C[NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)c(O)c1OC ZINC000895572436 586189119 /nfs/dbraw/zinc/18/91/19/586189119.db2.gz VQAFYVUQWUVWTJ-ZDUSSCGKSA-N 2 2 337.420 0.839 20 10 ECCDLP COc1ccc(C[NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)c(O)c1OC ZINC000895572436 586189121 /nfs/dbraw/zinc/18/91/21/586189121.db2.gz VQAFYVUQWUVWTJ-ZDUSSCGKSA-N 2 2 337.420 0.839 20 10 ECCDLP COc1ccc(N2CC[NH+](C[C@@H](O)C[NH2+][C@@H](C)CCO)CC2)cc1 ZINC000843083366 589049532 /nfs/dbraw/zinc/04/95/32/589049532.db2.gz PGKFLBRQAJZQSP-RDJZCZTQSA-N 2 2 337.464 0.539 20 10 ECCDLP COc1ccc(N2CC[NH+](C[C@H](O)C[NH2+][C@H]3C[C@@H](O)C3)CC2)cc1 ZINC000843092211 589050262 /nfs/dbraw/zinc/05/02/62/589050262.db2.gz MQJMBQFTTRBXPR-HYVNUMGLSA-N 2 2 335.448 0.291 20 10 ECCDLP COc1ccc(N2CC[NH+](C[C@H](O)C[NH2+]C[C@H]3C[C@@H](O)C3)CC2)cc1 ZINC000863582061 590024884 /nfs/dbraw/zinc/02/48/84/590024884.db2.gz BBXRTKSXTZIDQC-BPQIPLTHSA-N 2 2 349.475 0.539 20 10 ECCDLP [NH3+]Cc1cc(=O)[nH]c(C[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)n1 ZINC000863648408 590028824 /nfs/dbraw/zinc/02/88/24/590028824.db2.gz UNGATLUEGBRCBA-UHFFFAOYSA-N 2 2 347.394 0.906 20 10 ECCDLP COc1ccc([NH+]2CCC(NC(=O)CN3CC[NH2+]CC3)CC2)cc1 ZINC000876750347 590409048 /nfs/dbraw/zinc/40/90/48/590409048.db2.gz VNJJNLYMBHBZFY-UHFFFAOYSA-N 2 2 332.448 0.685 20 10 ECCDLP COc1ccc([NH+]2CCC(N(C)C(=O)[C@H]([NH3+])CC(N)=O)CC2)cc1 ZINC000364923727 437827483 /nfs/dbraw/zinc/82/74/83/437827483.db2.gz MCOYKLQYIMAXQS-OAHLLOKOSA-N 2 2 334.420 0.325 20 10 ECCDLP COc1ccc(N2CC[NH+](C[C@@H](O)C[N@@H+]3CC[C@@H](CO)C3)CC2)cc1 ZINC000779221938 579314302 /nfs/dbraw/zinc/31/43/02/579314302.db2.gz DJQHVXIMTPTKAX-SJLPKXTDSA-N 2 2 349.475 0.492 20 10 ECCDLP COc1ccc(N2CC[NH+](C[C@@H](O)C[N@H+]3CC[C@@H](CO)C3)CC2)cc1 ZINC000779221938 579314303 /nfs/dbraw/zinc/31/43/03/579314303.db2.gz DJQHVXIMTPTKAX-SJLPKXTDSA-N 2 2 349.475 0.492 20 10 ECCDLP C[NH+]1CCN(c2ccc(C[NH+]3CC(C4CS(=O)(=O)C4)C3)cc2)CC1 ZINC000895428934 586182330 /nfs/dbraw/zinc/18/23/30/586182330.db2.gz SJMQQIHVCZEIPR-UHFFFAOYSA-N 2 2 349.500 0.915 20 10 ECCDLP C[NH+]1CCN(c2ccc(C[NH2+]C[C@H](O)C[NH+]3CCCC3)cc2)CC1 ZINC000905427408 586893814 /nfs/dbraw/zinc/89/38/14/586893814.db2.gz NWNYPRVSMVUGEU-IBGZPJMESA-N 3 2 332.492 0.985 20 10 ECCDLP COc1ccc(N2CC[NH+](C[C@@H](O)C[NH2+][C@H]3CCCOC3)CC2)cc1 ZINC000819028720 587464629 /nfs/dbraw/zinc/46/46/29/587464629.db2.gz OTDYZKDYXZCNKD-WMZOPIPTSA-N 2 2 349.475 0.947 20 10 ECCDLP CN(C)c1ccc(CNC(=O)C[NH+]2CCN([C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000844224919 589104130 /nfs/dbraw/zinc/10/41/30/589104130.db2.gz VHCRZLWPQQDHCR-GOSISDBHSA-N 2 2 345.491 0.348 20 10 ECCDLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000858223065 589732740 /nfs/dbraw/zinc/73/27/40/589732740.db2.gz IHJCTPWZICIFEY-SFHVURJKSA-N 2 2 346.475 0.953 20 10 ECCDLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000858223065 589732742 /nfs/dbraw/zinc/73/27/42/589732742.db2.gz IHJCTPWZICIFEY-SFHVURJKSA-N 2 2 346.475 0.953 20 10 ECCDLP CC[N@@H+]1CCOC[C@H]1C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000881852596 590481255 /nfs/dbraw/zinc/48/12/55/590481255.db2.gz XCFMTNPDHAGWQH-SFHVURJKSA-N 2 2 346.475 0.775 20 10 ECCDLP CC[N@H+]1CCOC[C@H]1C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000881852596 590481256 /nfs/dbraw/zinc/48/12/56/590481256.db2.gz XCFMTNPDHAGWQH-SFHVURJKSA-N 2 2 346.475 0.775 20 10 ECCDLP COC(=O)C[N@H+](CCN1CC[NH+](C)CC1)Cc1cccc(C)c1O ZINC000281126216 436947932 /nfs/dbraw/zinc/94/79/32/436947932.db2.gz CODAWVLTMHVCOV-UHFFFAOYSA-N 2 2 335.448 0.923 20 10 ECCDLP COC(=O)C[N@@H+](CCN1CC[NH+](C)CC1)Cc1cccc(C)c1O ZINC000281126216 436947934 /nfs/dbraw/zinc/94/79/34/436947934.db2.gz CODAWVLTMHVCOV-UHFFFAOYSA-N 2 2 335.448 0.923 20 10 ECCDLP COc1ccc(N2CC[NH+](C[C@H](O)C[N@H+](C)C3CC(O)C3)CC2)cc1 ZINC000759874871 579499873 /nfs/dbraw/zinc/49/98/73/579499873.db2.gz PJSSCWISGGNSNN-DAWZGUTISA-N 2 2 349.475 0.633 20 10 ECCDLP COc1ccc(N2CC[NH+](C[C@H](O)C[N@@H+](C)C3CC(O)C3)CC2)cc1 ZINC000759874871 579499874 /nfs/dbraw/zinc/49/98/74/579499874.db2.gz PJSSCWISGGNSNN-DAWZGUTISA-N 2 2 349.475 0.633 20 10 ECCDLP C[C@@H](O)CN1CC[NH+](Cc2ccc(N3CC[NH+](C)CC3)cc2)CC1 ZINC000775675738 579269784 /nfs/dbraw/zinc/26/97/84/579269784.db2.gz AQDYPCZAHLFFRP-QGZVFWFLSA-N 2 2 332.492 0.937 20 10 ECCDLP COc1ccc(N2CC[NH+](CCNC(=O)C[NH2+]C3CC3)CC2)cc1 ZINC000829500878 588327303 /nfs/dbraw/zinc/32/73/03/588327303.db2.gz SHJKKZDDAYZDKY-UHFFFAOYSA-N 2 2 332.448 0.685 20 10 ECCDLP COc1ccc(N2CC[NH+](CCNc3nc(N)[nH+]c(N)n3)CC2)cc1 ZINC000858367880 589744369 /nfs/dbraw/zinc/74/43/69/589744369.db2.gz YVEKSMGRDSOZHF-UHFFFAOYSA-N 2 2 344.423 0.279 20 10 ECCDLP COc1ccc([NH+]2CCC(N(C)C(=O)CNC(=O)C[NH3+])CC2)cc1 ZINC000376582136 438287911 /nfs/dbraw/zinc/28/79/11/438287911.db2.gz RVRFNYUNGPCMOW-UHFFFAOYSA-N 2 2 334.420 0.197 20 10 ECCDLP C[N@@H+]1CCN(C(=O)NCCCSc2nccs2)[C@H](C[NH3+])C1 ZINC000841858021 589002831 /nfs/dbraw/zinc/00/28/31/589002831.db2.gz SGZVEVFEGRSLID-LLVKDONJSA-N 2 2 329.495 0.910 20 10 ECCDLP C[N@H+]1CCN(C(=O)NCCCSc2nccs2)[C@H](C[NH3+])C1 ZINC000841858021 589002832 /nfs/dbraw/zinc/00/28/32/589002832.db2.gz SGZVEVFEGRSLID-LLVKDONJSA-N 2 2 329.495 0.910 20 10 ECCDLP COc1ccc(N2CC[NH+](C[C@H](O)C[NH2+]C[C@@H]3CCOC3)CC2)cc1 ZINC000818976055 587462967 /nfs/dbraw/zinc/46/29/67/587462967.db2.gz RVNDSVZTWXKKRW-FUHWJXTLSA-N 2 2 349.475 0.804 20 10 ECCDLP CCO[C@@H]1C[N@H+](CC(=O)NCc2ccc(N(C)C)cc2)C[C@H]1C[NH3+] ZINC000846226596 589192290 /nfs/dbraw/zinc/19/22/90/589192290.db2.gz QLTPATPTRLXHKS-NVXWUHKLSA-N 2 2 334.464 0.664 20 10 ECCDLP CCO[C@@H]1C[N@@H+](CC(=O)NCc2ccc(N(C)C)cc2)C[C@H]1C[NH3+] ZINC000846226596 589192292 /nfs/dbraw/zinc/19/22/92/589192292.db2.gz QLTPATPTRLXHKS-NVXWUHKLSA-N 2 2 334.464 0.664 20 10 ECCDLP COc1ccc([NH+]2CCC(NC(=O)C(=O)N(C)CCC[NH3+])CC2)cc1 ZINC000851685943 589413969 /nfs/dbraw/zinc/41/39/69/589413969.db2.gz IFSXHZYQMKQTEH-UHFFFAOYSA-N 2 2 348.447 0.587 20 10 ECCDLP O=C1C[C@H]([NH2+]Cc2ccc3c(c2)CCO3)CN1CC[NH+]1CCOCC1 ZINC000172698038 437025784 /nfs/dbraw/zinc/02/57/84/437025784.db2.gz MWZRUYYVCDYDIB-KRWDZBQOSA-N 2 2 345.443 0.644 20 10 ECCDLP C[N@@H+]1CCN(C(=O)NCCCSc2nccs2)[C@@H](C[NH3+])C1 ZINC000841858024 589003088 /nfs/dbraw/zinc/00/30/88/589003088.db2.gz SGZVEVFEGRSLID-NSHDSACASA-N 2 2 329.495 0.910 20 10 ECCDLP C[N@H+]1CCN(C(=O)NCCCSc2nccs2)[C@@H](C[NH3+])C1 ZINC000841858024 589003090 /nfs/dbraw/zinc/00/30/90/589003090.db2.gz SGZVEVFEGRSLID-NSHDSACASA-N 2 2 329.495 0.910 20 10 ECCDLP CN(C)c1ccc(CNC(=O)C[NH+]2CCN([C@H]3CC[NH2+]C3)CC2)cc1 ZINC000844224920 589104085 /nfs/dbraw/zinc/10/40/85/589104085.db2.gz VHCRZLWPQQDHCR-SFHVURJKSA-N 2 2 345.491 0.348 20 10 ECCDLP COc1ccc(N2CC[C@H](CNC(=O)[C@H]([NH3+])CC[NH+](C)C)C2)cc1 ZINC000846682821 589218636 /nfs/dbraw/zinc/21/86/36/589218636.db2.gz MLPYMNWVYUIHJZ-RHSMWYFYSA-N 2 2 334.464 0.917 20 10 ECCDLP COc1ccc(N2CC[NH+](C[C@H](O)C[N@@H+]3CC[C@H](O)C3)CC2)cc1 ZINC000754027088 579411210 /nfs/dbraw/zinc/41/12/10/579411210.db2.gz BHHWNWJCFOLJJG-IRXDYDNUSA-N 2 2 335.448 0.245 20 10 ECCDLP COc1ccc(N2CC[NH+](C[C@H](O)C[N@H+]3CC[C@H](O)C3)CC2)cc1 ZINC000754027088 579411212 /nfs/dbraw/zinc/41/12/12/579411212.db2.gz BHHWNWJCFOLJJG-IRXDYDNUSA-N 2 2 335.448 0.245 20 10 ECCDLP Oc1cc2c(cc1C[N@@H+]1CC[C@@H](C[NH+]3CCOCC3)C1)[C@@H](O)CO2 ZINC000768466598 579126310 /nfs/dbraw/zinc/12/63/10/579126310.db2.gz SRJUUVSXQGRXGH-GUYCJALGSA-N 2 2 334.416 0.972 20 10 ECCDLP Oc1cc2c(cc1C[N@H+]1CC[C@@H](C[NH+]3CCOCC3)C1)[C@@H](O)CO2 ZINC000768466598 579126311 /nfs/dbraw/zinc/12/63/11/579126311.db2.gz SRJUUVSXQGRXGH-GUYCJALGSA-N 2 2 334.416 0.972 20 10 ECCDLP CNC(=O)N1CC[NH+](Cc2ccc(N3CC[NH+](C)CC3)cc2)CC1 ZINC000775724976 579270516 /nfs/dbraw/zinc/27/05/16/579270516.db2.gz PGPVQWJZLFXNNA-UHFFFAOYSA-N 2 2 331.464 0.895 20 10 ECCDLP CC[C@H](O)C[NH2+]C[C@H](O)C[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000843079929 589049415 /nfs/dbraw/zinc/04/94/15/589049415.db2.gz NQILNHXDFQHDRW-IRXDYDNUSA-N 2 2 337.464 0.539 20 10 ECCDLP COc1c(O)c(C[NH+]2CCN([C@H]3CC[NH2+]C3)CC2)ccc1[N+](=O)[O-] ZINC000843125098 589051769 /nfs/dbraw/zinc/05/17/69/589051769.db2.gz WBVYPIAETRWSGH-ZDUSSCGKSA-N 2 2 336.392 0.789 20 10 ECCDLP COc1ccc(N2CC[NH+](C[C@H](O)C[N@@H+]3CC=C[C@H]3CO)CC2)cc1 ZINC000880489934 590396545 /nfs/dbraw/zinc/39/65/45/590396545.db2.gz ZFPJNJXJQYRHDO-ROUUACIJSA-N 2 2 347.459 0.411 20 10 ECCDLP COc1ccc(N2CC[NH+](C[C@H](O)C[N@H+]3CC=C[C@H]3CO)CC2)cc1 ZINC000880489934 590396547 /nfs/dbraw/zinc/39/65/47/590396547.db2.gz ZFPJNJXJQYRHDO-ROUUACIJSA-N 2 2 347.459 0.411 20 10 ECCDLP COc1ccc([NH+]2CCC(N(C)C(=O)[C@H]3C[C@H](O)C[NH2+]3)CC2)cc1 ZINC000365316460 437893985 /nfs/dbraw/zinc/89/39/85/437893985.db2.gz GELJUGFVTCTJFF-DOTOQJQBSA-N 2 2 333.432 0.845 20 10 ECCDLP COc1ccc(N2CC[NH+](C[C@H](O)C[N@H+]3C[C@H](O)[C@@H](C)C3)CC2)cc1 ZINC000754097210 579412961 /nfs/dbraw/zinc/41/29/61/579412961.db2.gz MHLFRDJVDLTCCV-IEZWGBDMSA-N 2 2 349.475 0.491 20 10 ECCDLP COc1ccc(N2CC[NH+](C[C@H](O)C[N@@H+]3C[C@H](O)[C@@H](C)C3)CC2)cc1 ZINC000754097210 579412963 /nfs/dbraw/zinc/41/29/63/579412963.db2.gz MHLFRDJVDLTCCV-IEZWGBDMSA-N 2 2 349.475 0.491 20 10 ECCDLP COc1ccc(N2CC[NH+](C[C@@H](O)C[N@H+](C)C3CC(O)C3)CC2)cc1 ZINC000759874870 579499922 /nfs/dbraw/zinc/49/99/22/579499922.db2.gz PJSSCWISGGNSNN-ABHNRTSZSA-N 2 2 349.475 0.633 20 10 ECCDLP COc1ccc(N2CC[NH+](C[C@@H](O)C[N@@H+](C)C3CC(O)C3)CC2)cc1 ZINC000759874870 579499924 /nfs/dbraw/zinc/49/99/24/579499924.db2.gz PJSSCWISGGNSNN-ABHNRTSZSA-N 2 2 349.475 0.633 20 10 ECCDLP COc1ccc(N2CC[NH+](C[C@H](O)C[NH+]3CCC(O)CC3)CC2)cc1 ZINC000779216498 579314327 /nfs/dbraw/zinc/31/43/27/579314327.db2.gz BQQJXCNPIFOPEP-GOSISDBHSA-N 2 2 349.475 0.635 20 10 ECCDLP COc1ccc(N2CC[NH+](C[C@@H](O)C[NH2+][C@H]3C[C@@H](O)C3)CC2)cc1 ZINC000843092213 589050462 /nfs/dbraw/zinc/05/04/62/589050462.db2.gz MQJMBQFTTRBXPR-UAGQMJEPSA-N 2 2 335.448 0.291 20 10 ECCDLP C[NH+](C)CCN1CC[N@H+](Cc2ccc(N3CCOCC3)cc2)CC1=O ZINC000846012281 589181820 /nfs/dbraw/zinc/18/18/20/589181820.db2.gz ZCYMPTMERDCNIE-UHFFFAOYSA-N 2 2 346.475 0.729 20 10 ECCDLP C[NH+](C)CCN1CC[N@@H+](Cc2ccc(N3CCOCC3)cc2)CC1=O ZINC000846012281 589181821 /nfs/dbraw/zinc/18/18/21/589181821.db2.gz ZCYMPTMERDCNIE-UHFFFAOYSA-N 2 2 346.475 0.729 20 10 ECCDLP Cc1ccc(O)c(C[NH2+][C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1 ZINC000178907121 437237536 /nfs/dbraw/zinc/23/75/36/437237536.db2.gz JEKZGNVJAXQVSO-INIZCTEOSA-N 2 2 333.432 0.723 20 10 ECCDLP COc1ccc(N2CC[NH+](C[C@H](O)C[N@@H+]3C[C@@H](O)C[C@H]3C)CC2)cc1 ZINC000754083253 579412583 /nfs/dbraw/zinc/41/25/83/579412583.db2.gz YFWZRNQLTUERRU-NJAFHUGGSA-N 2 2 349.475 0.633 20 10 ECCDLP COc1ccc(N2CC[NH+](C[C@H](O)C[N@H+]3C[C@@H](O)C[C@H]3C)CC2)cc1 ZINC000754083253 579412585 /nfs/dbraw/zinc/41/25/85/579412585.db2.gz YFWZRNQLTUERRU-NJAFHUGGSA-N 2 2 349.475 0.633 20 10 ECCDLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000756121348 579445641 /nfs/dbraw/zinc/44/56/41/579445641.db2.gz OXSKEPVQIXAVAN-YOEHRIQHSA-N 2 2 337.489 0.961 20 10 ECCDLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000756121348 579445642 /nfs/dbraw/zinc/44/56/42/579445642.db2.gz OXSKEPVQIXAVAN-YOEHRIQHSA-N 2 2 337.489 0.961 20 10 ECCDLP CN1CCCc2cc(CNC(=O)N3CC[N@H+](C)C[C@@H]3C[NH3+])ccc21 ZINC000841757771 589000053 /nfs/dbraw/zinc/00/00/53/589000053.db2.gz AGUBWSQSNHGGJA-INIZCTEOSA-N 2 2 331.464 0.853 20 10 ECCDLP CN1CCCc2cc(CNC(=O)N3CC[N@@H+](C)C[C@@H]3C[NH3+])ccc21 ZINC000841757771 589000056 /nfs/dbraw/zinc/00/00/56/589000056.db2.gz AGUBWSQSNHGGJA-INIZCTEOSA-N 2 2 331.464 0.853 20 10 ECCDLP COC(=O)C[N@H+](CCN1CC[NH+](C)CC1)Cc1cc(C)ccc1O ZINC000281402526 436966585 /nfs/dbraw/zinc/96/65/85/436966585.db2.gz XQJQBGCHQGMQAJ-UHFFFAOYSA-N 2 2 335.448 0.923 20 10 ECCDLP COC(=O)C[N@@H+](CCN1CC[NH+](C)CC1)Cc1cc(C)ccc1O ZINC000281402526 436966586 /nfs/dbraw/zinc/96/65/86/436966586.db2.gz XQJQBGCHQGMQAJ-UHFFFAOYSA-N 2 2 335.448 0.923 20 10 ECCDLP COc1ccc(N2CC[NH+](C[C@H](O)C[N@@H+]3C[C@@H](C)[C@@H](O)C3)CC2)cc1 ZINC000754097196 579412875 /nfs/dbraw/zinc/41/28/75/579412875.db2.gz MHLFRDJVDLTCCV-AYBZRNKSSA-N 2 2 349.475 0.491 20 10 ECCDLP COc1ccc(N2CC[NH+](C[C@H](O)C[N@H+]3C[C@@H](C)[C@@H](O)C3)CC2)cc1 ZINC000754097196 579412877 /nfs/dbraw/zinc/41/28/77/579412877.db2.gz MHLFRDJVDLTCCV-AYBZRNKSSA-N 2 2 349.475 0.491 20 10 ECCDLP COC(=O)[C@H]1C[N@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)CCO1 ZINC000775676707 579269728 /nfs/dbraw/zinc/26/97/28/579269728.db2.gz YBGMAGDPETWWIO-QGZVFWFLSA-N 2 2 333.432 0.812 20 10 ECCDLP COC(=O)[C@H]1C[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)CCO1 ZINC000775676707 579269730 /nfs/dbraw/zinc/26/97/30/579269730.db2.gz YBGMAGDPETWWIO-QGZVFWFLSA-N 2 2 333.432 0.812 20 10 ECCDLP CC[C@H]([NH2+]C)C(=O)NCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000852805536 589512922 /nfs/dbraw/zinc/51/29/22/589512922.db2.gz CESFYXXQDNVDIV-KRWDZBQOSA-N 2 2 334.464 0.931 20 10 ECCDLP COc1ccc(N2CC[NH+](C[C@H](O)C[N@@H+]3C[C@H](O)C[C@H]3C)CC2)cc1 ZINC000754083254 579412631 /nfs/dbraw/zinc/41/26/31/579412631.db2.gz YFWZRNQLTUERRU-NXHRZFHOSA-N 2 2 349.475 0.633 20 10 ECCDLP COc1ccc(N2CC[NH+](C[C@H](O)C[N@H+]3C[C@H](O)C[C@H]3C)CC2)cc1 ZINC000754083254 579412632 /nfs/dbraw/zinc/41/26/32/579412632.db2.gz YFWZRNQLTUERRU-NXHRZFHOSA-N 2 2 349.475 0.633 20 10 ECCDLP COC(=O)[C@@H]1[C@H](O)CCC[N@@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000783705072 578744738 /nfs/dbraw/zinc/74/47/38/578744738.db2.gz UXQQQVMSHDXQPW-MSOLQXFVSA-N 2 2 347.459 0.937 20 10 ECCDLP COC(=O)[C@@H]1[C@H](O)CCC[N@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000783705072 578744739 /nfs/dbraw/zinc/74/47/39/578744739.db2.gz UXQQQVMSHDXQPW-MSOLQXFVSA-N 2 2 347.459 0.937 20 10 ECCDLP COc1ccc(N2CC[NH+](C[C@@H](O)C[N@@H+]3CCC[C@H](O)C3)CC2)cc1 ZINC000779217897 579314279 /nfs/dbraw/zinc/31/42/79/579314279.db2.gz JJRCOJJWKVGBTM-ZWKOTPCHSA-N 2 2 349.475 0.635 20 10 ECCDLP COc1ccc(N2CC[NH+](C[C@@H](O)C[N@H+]3CCC[C@H](O)C3)CC2)cc1 ZINC000779217897 579314280 /nfs/dbraw/zinc/31/42/80/579314280.db2.gz JJRCOJJWKVGBTM-ZWKOTPCHSA-N 2 2 349.475 0.635 20 10 ECCDLP COc1ccc(N2CC[NH+](C[C@H](O)C[NH2+][C@H]3[C@@H]4COC[C@@H]43)CC2)cc1 ZINC000819277843 587475090 /nfs/dbraw/zinc/47/50/90/587475090.db2.gz HLPQCNKJADWEGT-YSHGAJCASA-N 2 2 347.459 0.413 20 10 ECCDLP COc1ccc(N2CC[NH+](C[C@@H](O)C[NH2+][C@H]3[C@@H]4COC[C@@H]43)CC2)cc1 ZINC000819277842 587475317 /nfs/dbraw/zinc/47/53/17/587475317.db2.gz HLPQCNKJADWEGT-GDAAHCPNSA-N 2 2 347.459 0.413 20 10 ECCDLP C[C@@H](NC(=O)[C@H]([NH3+])CC[NH+](C)C)c1ccc(N2CCOCC2)cc1 ZINC000846672222 589217997 /nfs/dbraw/zinc/21/79/97/589217997.db2.gz DMSJKKQWKVUANS-RHSMWYFYSA-N 2 2 334.464 0.979 20 10 ECCDLP COc1ccc(N2CC[NH+](C[C@@H](O)C[NH2+]C[C@H]3C[C@H](O)C3)CC2)cc1 ZINC000872245101 590107602 /nfs/dbraw/zinc/10/76/02/590107602.db2.gz BBXRTKSXTZIDQC-SZMVWBNQSA-N 2 2 349.475 0.539 20 10 ECCDLP Cc1cccc(O)c1C[NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000877152388 590441234 /nfs/dbraw/zinc/44/12/34/590441234.db2.gz MMOYJYSRBHNJHX-OAHLLOKOSA-N 2 2 333.432 0.723 20 10 ECCDLP COc1ccc(N2CCN(C(=O)C[NH+]3C[C@H]4C[NH2+]C[C@@H]4C3)CC2)cc1 ZINC000916739653 609948565 /nfs/dbraw/zinc/94/85/65/609948565.db2.gz FBNHPHZZWFSXTH-HZPDHXFCSA-N 2 2 344.459 0.495 20 10 ECCDLP Cc1cccc(C[NH2+][C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1O ZINC000181346940 437317238 /nfs/dbraw/zinc/31/72/38/437317238.db2.gz PPJWILAWXYZABU-INIZCTEOSA-N 2 2 333.432 0.723 20 10 ECCDLP COc1ccc(N2CC[NH+](C[C@H](O)C[N@@H+]3CCCOCC3)CC2)cc1 ZINC000754031328 579411365 /nfs/dbraw/zinc/41/13/65/579411365.db2.gz HAJDIPLEXGCYBX-GOSISDBHSA-N 2 2 349.475 0.900 20 10 ECCDLP COc1ccc(N2CC[NH+](C[C@H](O)C[N@H+]3CCCOCC3)CC2)cc1 ZINC000754031328 579411367 /nfs/dbraw/zinc/41/13/67/579411367.db2.gz HAJDIPLEXGCYBX-GOSISDBHSA-N 2 2 349.475 0.900 20 10 ECCDLP CC[C@@H](CO)[NH2+]C[C@@H](O)C[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000758185621 579468268 /nfs/dbraw/zinc/46/82/68/579468268.db2.gz JWSDQYYAAPICSI-DOTOQJQBSA-N 2 2 337.464 0.539 20 10 ECCDLP COc1ccc(N2CC[NH+](C[C@H](O)C[N@@H+]3CC[C@@H](CO)C3)CC2)cc1 ZINC000779221936 579314306 /nfs/dbraw/zinc/31/43/06/579314306.db2.gz DJQHVXIMTPTKAX-AEFFLSMTSA-N 2 2 349.475 0.492 20 10 ECCDLP COc1ccc(N2CC[NH+](C[C@H](O)C[N@H+]3CC[C@@H](CO)C3)CC2)cc1 ZINC000779221936 579314307 /nfs/dbraw/zinc/31/43/07/579314307.db2.gz DJQHVXIMTPTKAX-AEFFLSMTSA-N 2 2 349.475 0.492 20 10 ECCDLP COc1ccc(N2CC[NH+](C[C@@H](O)C[NH2+][C@@H]3CC[C@H]3O)CC2)cc1 ZINC000843116433 589051490 /nfs/dbraw/zinc/05/14/90/589051490.db2.gz PPNPBMTXFKHSMG-CGTJXYLNSA-N 2 2 335.448 0.291 20 10 ECCDLP COc1ccc([NH+]2CCC(NC(=O)C(=O)N(C)C[C@H](C)[NH3+])CC2)cc1 ZINC000861759588 589888638 /nfs/dbraw/zinc/88/86/38/589888638.db2.gz MVTVOAWMAHEJMV-ZDUSSCGKSA-N 2 2 348.447 0.586 20 10 ECCDLP COc1ccc(N2CC[NH+](C[C@@H](O)C[NH2+][C@H]3C[C@H](OC)C3)CC2)cc1 ZINC000863587361 590025446 /nfs/dbraw/zinc/02/54/46/590025446.db2.gz WNCKRHBXPKVUSO-IEZWGBDMSA-N 2 2 349.475 0.945 20 10 ECCDLP COc1ccc(N2CC[NH+](CCNC(=O)[C@@H](C)[NH+](C)C)CC2)cc1 ZINC000874242966 590228060 /nfs/dbraw/zinc/22/80/60/590228060.db2.gz KTMVNGSFAXOZOQ-OAHLLOKOSA-N 2 2 334.464 0.884 20 10 ECCDLP CN(C)c1ccc([C@H]([NH3+])CNC(=O)/C=C/C[NH+]2CCOCC2)cc1 ZINC000876505888 590383441 /nfs/dbraw/zinc/38/34/41/590383441.db2.gz BYZVYZWTVRUFSA-REMYHPOOSA-N 2 2 332.448 0.757 20 10 ECCDLP C[C@@H]([NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccccc1O ZINC000183609929 437389368 /nfs/dbraw/zinc/38/93/68/437389368.db2.gz DJPZKCOGCTWKPH-HUUCEWRRSA-N 2 2 333.432 0.976 20 10 ECCDLP COc1ccc(O)c(C[NH2+][C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1 ZINC000367611618 438227654 /nfs/dbraw/zinc/22/76/54/438227654.db2.gz CPPWLVIAJKRSOY-HNNXBMFYSA-N 2 2 349.431 0.424 20 10 ECCDLP COc1ccc(N2CC[NH+](C[C@@H](O)C[NH+]3CCC(O)CC3)CC2)cc1 ZINC000779216499 579314287 /nfs/dbraw/zinc/31/42/87/579314287.db2.gz BQQJXCNPIFOPEP-SFHVURJKSA-N 2 2 349.475 0.635 20 10 ECCDLP C[N@H+](C[C@@H](O)C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1)C1CC1 ZINC000905425877 586893536 /nfs/dbraw/zinc/89/35/36/586893536.db2.gz CEKRUALDQXVEKX-IBGZPJMESA-N 3 2 332.492 0.983 20 10 ECCDLP C[N@@H+](C[C@@H](O)C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1)C1CC1 ZINC000905425877 586893538 /nfs/dbraw/zinc/89/35/38/586893538.db2.gz CEKRUALDQXVEKX-IBGZPJMESA-N 3 2 332.492 0.983 20 10 ECCDLP COc1ccc(O)c(C[NH2+][C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1 ZINC000367611627 438228023 /nfs/dbraw/zinc/22/80/23/438228023.db2.gz CPPWLVIAJKRSOY-OAHLLOKOSA-N 2 2 349.431 0.424 20 10 ECCDLP COC[C@H](C)[NH2+]C[C@H](O)C[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000758183960 579468305 /nfs/dbraw/zinc/46/83/05/579468305.db2.gz CAMWDVAHLJXYMT-RDJZCZTQSA-N 2 2 337.464 0.803 20 10 ECCDLP C[C@H](NC(=O)[C@@H]([NH3+])CC[NH+](C)C)c1ccc(N2CCOCC2)cc1 ZINC000846672224 589217917 /nfs/dbraw/zinc/21/79/17/589217917.db2.gz DMSJKKQWKVUANS-YOEHRIQHSA-N 2 2 334.464 0.979 20 10 ECCDLP COc1ccc(N2CC[NH+](CCN[C@@H]3C[NH2+]CCOC3)CC2)cc1 ZINC000925502234 611485732 /nfs/dbraw/zinc/48/57/32/611485732.db2.gz GELGEUIGYWOITC-MRXNPFEDSA-N 2 2 334.464 0.395 20 10 ECCDLP CCOc1cccc(C[NH+]2CCN(C(=O)N3CC[NH2+]CC3)CC2)c1O ZINC000530244517 301999571 /nfs/dbraw/zinc/99/95/71/301999571.db2.gz YZIQSZFXCAJQKO-UHFFFAOYSA-N 2 2 348.447 0.934 20 10 ECCDLP COc1cccc(C[NH+]2CCN(C(=O)N3CC[NH2+]CC3)CC2)c1O ZINC000530242141 439494428 /nfs/dbraw/zinc/49/44/28/439494428.db2.gz LFLNFINDXUVIRS-UHFFFAOYSA-N 2 2 334.420 0.544 20 10 ECCDLP COc1ccc(N2CC[NH+](C[C@H](O)C[N@@H+]3CCC[C@@H](O)C3)CC2)cc1 ZINC000779217887 579314336 /nfs/dbraw/zinc/31/43/36/579314336.db2.gz JJRCOJJWKVGBTM-MSOLQXFVSA-N 2 2 349.475 0.635 20 10 ECCDLP COc1ccc(N2CC[NH+](C[C@H](O)C[N@H+]3CCC[C@@H](O)C3)CC2)cc1 ZINC000779217887 579314337 /nfs/dbraw/zinc/31/43/37/579314337.db2.gz JJRCOJJWKVGBTM-MSOLQXFVSA-N 2 2 349.475 0.635 20 10 ECCDLP COc1ccc(N2CC[NH+](C[C@@H](O)C[NH2+]CCCCO)CC2)cc1 ZINC000843061032 589048904 /nfs/dbraw/zinc/04/89/04/589048904.db2.gz DTVDMLHPTHFHSB-KRWDZBQOSA-N 2 2 337.464 0.540 20 10 ECCDLP COc1ccc(N2CC[NH+](C[C@H](O)C[NH2+][C@H]3CCCOC3)CC2)cc1 ZINC000819028718 587464689 /nfs/dbraw/zinc/46/46/89/587464689.db2.gz OTDYZKDYXZCNKD-FUHWJXTLSA-N 2 2 349.475 0.947 20 10 ECCDLP COc1ccc(N2CC[NH+](C[C@@H](O)C[NH2+]CC3(C)COC3)CC2)cc1 ZINC000819063670 587466399 /nfs/dbraw/zinc/46/63/99/587466399.db2.gz PIKHBMSBMCPOCJ-KRWDZBQOSA-N 2 2 349.475 0.804 20 10 ECCDLP COc1ccc(N2CC[NH+](C[C@H](O)C[N@@H+]3CC[C@@H](O)[C@H]3C)CC2)cc1 ZINC000832220598 588475454 /nfs/dbraw/zinc/47/54/54/588475454.db2.gz YZSGBYULOPSUHH-HHXXYDBFSA-N 2 2 349.475 0.633 20 10 ECCDLP COc1ccc(N2CC[NH+](C[C@H](O)C[N@H+]3CC[C@@H](O)[C@H]3C)CC2)cc1 ZINC000832220598 588475455 /nfs/dbraw/zinc/47/54/55/588475455.db2.gz YZSGBYULOPSUHH-HHXXYDBFSA-N 2 2 349.475 0.633 20 10 ECCDLP COc1ccc(N2CC[NH+](C[C@@H](O)C[N@@H+]3CC[C@@](C)(O)C3)CC2)cc1 ZINC000754050739 579411757 /nfs/dbraw/zinc/41/17/57/579411757.db2.gz ROBQVFDFZWMCLU-IEBWSBKVSA-N 2 2 349.475 0.635 20 10 ECCDLP COc1ccc(N2CC[NH+](C[C@@H](O)C[N@H+]3CC[C@@](C)(O)C3)CC2)cc1 ZINC000754050739 579411759 /nfs/dbraw/zinc/41/17/59/579411759.db2.gz ROBQVFDFZWMCLU-IEBWSBKVSA-N 2 2 349.475 0.635 20 10 ECCDLP COc1c(O)c(C[NH2+]CC(=O)N2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000774979870 579260542 /nfs/dbraw/zinc/26/05/42/579260542.db2.gz CZQKUDOYTIUGFJ-UHFFFAOYSA-N 2 2 338.364 0.173 20 10 ECCDLP COc1ccc(N2CC[NH+](C[C@H](O)C[N@@H+]3CCC[C@H](O)C3)CC2)cc1 ZINC000779217892 579314311 /nfs/dbraw/zinc/31/43/11/579314311.db2.gz JJRCOJJWKVGBTM-ROUUACIJSA-N 2 2 349.475 0.635 20 10 ECCDLP COc1ccc(N2CC[NH+](C[C@H](O)C[N@H+]3CCC[C@H](O)C3)CC2)cc1 ZINC000779217892 579314312 /nfs/dbraw/zinc/31/43/12/579314312.db2.gz JJRCOJJWKVGBTM-ROUUACIJSA-N 2 2 349.475 0.635 20 10 ECCDLP COc1ccc(N2CC[NH+](C[C@H](O)C[NH2+][C@@H]3CC[C@H]3O)CC2)cc1 ZINC000843116436 589051420 /nfs/dbraw/zinc/05/14/20/589051420.db2.gz PPNPBMTXFKHSMG-KBAYOESNSA-N 2 2 335.448 0.291 20 10 ECCDLP COc1ccc(N2CC[NH+](C[C@H](O)C[NH2+]C[C@@H]3CCCO3)CC2)cc1 ZINC000849327748 589325899 /nfs/dbraw/zinc/32/58/99/589325899.db2.gz RILPWDFBJYOJCQ-MJGOQNOKSA-N 2 2 349.475 0.947 20 10 ECCDLP COc1ccc([NH+]2CCC(NC(=O)c3cn(CC[NH3+])nn3)CC2)cc1 ZINC000851631262 589409208 /nfs/dbraw/zinc/40/92/08/589409208.db2.gz ZJTPJYLCCRJEKX-UHFFFAOYSA-N 2 2 344.419 0.644 20 10 ECCDLP COc1ccc(N2CC[NH+](C[C@H](O)C[N@H+]3CC[C@@H](OC)C3)CC2)cc1 ZINC000754052193 579411871 /nfs/dbraw/zinc/41/18/71/579411871.db2.gz XMXUWSMLDLIXEN-PKOBYXMFSA-N 2 2 349.475 0.899 20 10 ECCDLP COc1ccc(N2CC[NH+](C[C@H](O)C[N@@H+]3CC[C@@H](OC)C3)CC2)cc1 ZINC000754052193 579411872 /nfs/dbraw/zinc/41/18/72/579411872.db2.gz XMXUWSMLDLIXEN-PKOBYXMFSA-N 2 2 349.475 0.899 20 10 ECCDLP CC[C@H](O)C[NH2+]C[C@@H](O)C[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000843079928 589049619 /nfs/dbraw/zinc/04/96/19/589049619.db2.gz NQILNHXDFQHDRW-DLBZAZTESA-N 2 2 337.464 0.539 20 10 ECCDLP COc1ccc([NH+]2CCC(NC(=O)NC[C@@H]3COCC[NH2+]3)CC2)cc1 ZINC000861572565 589865401 /nfs/dbraw/zinc/86/54/01/589865401.db2.gz SETDENSWCPNXSP-OAHLLOKOSA-N 2 2 348.447 0.952 20 10 ECCDLP COc1ccc(N2CC[NH+](C[C@@H](O)C[NH2+]C[C@H]3C[C@@H](O)C3)CC2)cc1 ZINC000863582062 590024902 /nfs/dbraw/zinc/02/49/02/590024902.db2.gz BBXRTKSXTZIDQC-JQHSSLGASA-N 2 2 349.475 0.539 20 10 ECCDLP COC(=O)C[N@H+](CCN1CC[NH+](C)CC1)Cc1ccc(C)cc1O ZINC000877497271 590468367 /nfs/dbraw/zinc/46/83/67/590468367.db2.gz LTJBMPFFIJXTSH-UHFFFAOYSA-N 2 2 335.448 0.923 20 10 ECCDLP COC(=O)C[N@@H+](CCN1CC[NH+](C)CC1)Cc1ccc(C)cc1O ZINC000877497271 590468370 /nfs/dbraw/zinc/46/83/70/590468370.db2.gz LTJBMPFFIJXTSH-UHFFFAOYSA-N 2 2 335.448 0.923 20 10 ECCDLP CCOC(=O)c1cnn2c1[nH]c(C[N@@H+]1CC[C@H](C[NH+](C)C)C1)cc2=O ZINC000114199551 436640065 /nfs/dbraw/zinc/64/00/65/436640065.db2.gz NUYCNLWTZTZXCT-GFCCVEGCSA-N 2 2 347.419 0.995 20 10 ECCDLP CCOC(=O)c1cnn2c1[nH]c(C[N@H+]1CC[C@H](C[NH+](C)C)C1)cc2=O ZINC000114199551 436640066 /nfs/dbraw/zinc/64/00/66/436640066.db2.gz NUYCNLWTZTZXCT-GFCCVEGCSA-N 2 2 347.419 0.995 20 10 ECCDLP C[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](Cc2cc3c(cc2O)OCO3)CC1 ZINC000271195104 436678703 /nfs/dbraw/zinc/67/87/03/436678703.db2.gz SEDWCGPDIRQQES-AWEZNQCLSA-N 2 2 347.415 0.859 20 10 ECCDLP C[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](Cc2cc3c(cc2O)OCO3)CC1 ZINC000271195104 436678707 /nfs/dbraw/zinc/67/87/07/436678707.db2.gz SEDWCGPDIRQQES-AWEZNQCLSA-N 2 2 347.415 0.859 20 10 ECCDLP COc1ccc(N2CC[NH+](C[C@@H](O)C[N@@H+]3CC[C@](C)(O)C3)CC2)cc1 ZINC000754050740 579411833 /nfs/dbraw/zinc/41/18/33/579411833.db2.gz ROBQVFDFZWMCLU-MJGOQNOKSA-N 2 2 349.475 0.635 20 10 ECCDLP COc1ccc(N2CC[NH+](C[C@@H](O)C[N@H+]3CC[C@](C)(O)C3)CC2)cc1 ZINC000754050740 579411835 /nfs/dbraw/zinc/41/18/35/579411835.db2.gz ROBQVFDFZWMCLU-MJGOQNOKSA-N 2 2 349.475 0.635 20 10 ECCDLP COC[C@@H](C)[NH2+]C[C@H](O)C[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000758183962 579468289 /nfs/dbraw/zinc/46/82/89/579468289.db2.gz CAMWDVAHLJXYMT-WBVHZDCISA-N 2 2 337.464 0.803 20 10 ECCDLP COc1ccc(N2CC[NH+](C[C@@H](O)C[NH2+][C@H](CO)C3CC3)CC2)cc1 ZINC000771806927 579195409 /nfs/dbraw/zinc/19/54/09/579195409.db2.gz JWCDSAFMJJAEKC-PKOBYXMFSA-N 2 2 349.475 0.539 20 10 ECCDLP COc1cccc(O)c1C[NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000771965324 579198495 /nfs/dbraw/zinc/19/84/95/579198495.db2.gz XQTQEQXIRQGBNW-AWEZNQCLSA-N 2 2 349.431 0.424 20 10 ECCDLP COc1ccc(N2CC[NH+](C[C@H](O)C[NH2+]C[C@H]3CCCO3)CC2)cc1 ZINC000819342408 587476995 /nfs/dbraw/zinc/47/69/95/587476995.db2.gz RILPWDFBJYOJCQ-IEBWSBKVSA-N 2 2 349.475 0.947 20 10 ECCDLP CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CCCO[C@@H](C[NH3+])C2)cc1 ZINC000844227185 589104319 /nfs/dbraw/zinc/10/43/19/589104319.db2.gz VTJSJRBETFKTLO-KRWDZBQOSA-N 2 2 334.464 0.761 20 10 ECCDLP CN(C)c1ccc(CN(C)C(=O)C[N@H+]2CCCO[C@@H](C[NH3+])C2)cc1 ZINC000844227185 589104321 /nfs/dbraw/zinc/10/43/21/589104321.db2.gz VTJSJRBETFKTLO-KRWDZBQOSA-N 2 2 334.464 0.761 20 10 ECCDLP CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000846673428 589218094 /nfs/dbraw/zinc/21/80/94/589218094.db2.gz TXMFIOQVTVSQBQ-KRWDZBQOSA-N 2 2 334.464 0.761 20 10 ECCDLP COc1ccc([NH+]2CCC(NC(=O)C(=O)N[C@H]3CC[NH2+]C3)CC2)cc1 ZINC000851685718 589413615 /nfs/dbraw/zinc/41/36/15/589413615.db2.gz DXPWTXMCFFRXNB-AWEZNQCLSA-N 2 2 346.431 0.258 20 10 ECCDLP COc1ccc(N2CC[NH+](C[C@@H](O)C[NH2+][C@H]3C[C@@H](CO)C3)CC2)cc1 ZINC000872217650 590105413 /nfs/dbraw/zinc/10/54/13/590105413.db2.gz BYRHMEDYYJGVMR-JZXOWHBKSA-N 2 2 349.475 0.539 20 10 ECCDLP C[C@H]([NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccccc1O ZINC000183609912 437387755 /nfs/dbraw/zinc/38/77/55/437387755.db2.gz DJPZKCOGCTWKPH-LSDHHAIUSA-N 2 2 333.432 0.976 20 10 ECCDLP COC[C@H](O)C[NH2+]CCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000818943751 587461698 /nfs/dbraw/zinc/46/16/98/587461698.db2.gz ZNKIZSCIZHYLAT-QGZVFWFLSA-N 2 2 337.464 0.804 20 10 ECCDLP COc1ccc(N2CC[NH+](C[C@@H](O)C[NH2+]C[C@H]3CCOC3)CC2)cc1 ZINC000818976054 587462877 /nfs/dbraw/zinc/46/28/77/587462877.db2.gz RVNDSVZTWXKKRW-AEFFLSMTSA-N 2 2 349.475 0.804 20 10 ECCDLP CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CCCO[C@H](C[NH3+])C2)cc1 ZINC000844227186 589104467 /nfs/dbraw/zinc/10/44/67/589104467.db2.gz VTJSJRBETFKTLO-QGZVFWFLSA-N 2 2 334.464 0.761 20 10 ECCDLP CN(C)c1ccc(CN(C)C(=O)C[N@H+]2CCCO[C@H](C[NH3+])C2)cc1 ZINC000844227186 589104468 /nfs/dbraw/zinc/10/44/68/589104468.db2.gz VTJSJRBETFKTLO-QGZVFWFLSA-N 2 2 334.464 0.761 20 10 ECCDLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000846672036 589217928 /nfs/dbraw/zinc/21/79/28/589217928.db2.gz BBOVSJMYLRYCTM-OAHLLOKOSA-N 2 2 338.427 0.558 20 10 ECCDLP COc1cc(O)c(C[NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)cc1OC ZINC000862465562 589941466 /nfs/dbraw/zinc/94/14/66/589941466.db2.gz RMGOOHWQRJWOBO-ZDUSSCGKSA-N 2 2 337.420 0.839 20 10 ECCDLP CN(C)c1ccc(C[NH+]2CCN(C(=O)N3CC[NH2+]CC3)CC2)cc1 ZINC000863642703 590028400 /nfs/dbraw/zinc/02/84/00/590028400.db2.gz VUBLDCOCUOAXMI-UHFFFAOYSA-N 2 2 331.464 0.895 20 10 ECCDLP CN(C)c1ccc(C[NH2+][C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1 ZINC000178904278 437238047 /nfs/dbraw/zinc/23/80/47/437238047.db2.gz YVDXWIGCMMEDIL-KRWDZBQOSA-N 2 2 346.475 0.775 20 10 ECCDLP COc1ccc(N2CC[NH+](CCNC(=O)[C@H](C)[NH+](C)C)CC2)cc1 ZINC000750610663 579355405 /nfs/dbraw/zinc/35/54/05/579355405.db2.gz KTMVNGSFAXOZOQ-HNNXBMFYSA-N 2 2 334.464 0.884 20 10 ECCDLP C[C@@H](O)C(=O)N1CC[NH+](Cc2ccc(N3CC[NH+](C)CC3)cc2)CC1 ZINC000775726769 579270532 /nfs/dbraw/zinc/27/05/32/579270532.db2.gz WDAVFEAHHBCJJN-MRXNPFEDSA-N 2 2 346.475 0.463 20 10 ECCDLP COc1ccc([NH+]2CCC(NC(=O)NC[C@@H]3C[NH2+]CCO3)CC2)cc1 ZINC000841779005 589000407 /nfs/dbraw/zinc/00/04/07/589000407.db2.gz KEYNLOHFTFVIQK-KRWDZBQOSA-N 2 2 348.447 0.952 20 10 ECCDLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000756121329 579445474 /nfs/dbraw/zinc/44/54/74/579445474.db2.gz OXSKEPVQIXAVAN-PBHICJAKSA-N 2 2 337.489 0.961 20 10 ECCDLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000756121329 579445476 /nfs/dbraw/zinc/44/54/76/579445476.db2.gz OXSKEPVQIXAVAN-PBHICJAKSA-N 2 2 337.489 0.961 20 10 ECCDLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000756121341 579445624 /nfs/dbraw/zinc/44/56/24/579445624.db2.gz OXSKEPVQIXAVAN-RHSMWYFYSA-N 2 2 337.489 0.961 20 10 ECCDLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000756121341 579445625 /nfs/dbraw/zinc/44/56/25/579445625.db2.gz OXSKEPVQIXAVAN-RHSMWYFYSA-N 2 2 337.489 0.961 20 10 ECCDLP COc1ccc(N2CC[NH+](C[C@H](O)C[NH2+]C3CCOCC3)CC2)cc1 ZINC000758210268 579468729 /nfs/dbraw/zinc/46/87/29/579468729.db2.gz OSKQZBFJDAKNMW-GOSISDBHSA-N 2 2 349.475 0.947 20 10 ECCDLP COc1ccc(N2CC[NH+](C[C@@H](O)C[NH2+]C[C@@H]3CCCO3)CC2)cc1 ZINC000849327747 589325750 /nfs/dbraw/zinc/32/57/50/589325750.db2.gz RILPWDFBJYOJCQ-HKUYNNGSSA-N 2 2 349.475 0.947 20 10 ECCDLP COc1ccc(N2CC[NH+](C[C@H](O)C[N@@H+]3CCC[C@@H]3CO)CC2)cc1 ZINC000754021248 579411032 /nfs/dbraw/zinc/41/10/32/579411032.db2.gz YMDULAZWHYWROT-MSOLQXFVSA-N 2 2 349.475 0.635 20 10 ECCDLP COc1ccc(N2CC[NH+](C[C@H](O)C[N@H+]3CCC[C@@H]3CO)CC2)cc1 ZINC000754021248 579411034 /nfs/dbraw/zinc/41/10/34/579411034.db2.gz YMDULAZWHYWROT-MSOLQXFVSA-N 2 2 349.475 0.635 20 10 ECCDLP CC[N@H+](CCO)C[C@H](O)C[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000754027430 579411230 /nfs/dbraw/zinc/41/12/30/579411230.db2.gz KNFBWVSUKCWKLC-KRWDZBQOSA-N 2 2 337.464 0.492 20 10 ECCDLP CC[N@@H+](CCO)C[C@H](O)C[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000754027430 579411232 /nfs/dbraw/zinc/41/12/32/579411232.db2.gz KNFBWVSUKCWKLC-KRWDZBQOSA-N 2 2 337.464 0.492 20 10 ECCDLP COC(=O)c1ccc(O)c([C@@H](C)[NH2+]CC(=O)N2CC[NH+](C)CC2)c1 ZINC000756489724 579450536 /nfs/dbraw/zinc/45/05/36/579450536.db2.gz IZZLXZPRTDTVBI-GFCCVEGCSA-N 2 2 335.404 0.603 20 10 ECCDLP COc1ccc(N2CC[C@@H](CNC(=O)[C@H]([NH3+])CC[NH+](C)C)C2)cc1 ZINC000846682822 589218570 /nfs/dbraw/zinc/21/85/70/589218570.db2.gz MLPYMNWVYUIHJZ-WMLDXEAASA-N 2 2 334.464 0.917 20 10 ECCDLP COc1cccc(C[NH2+][C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1O ZINC000269352919 436663383 /nfs/dbraw/zinc/66/33/83/436663383.db2.gz KZLUGKHPBUOYDF-OAHLLOKOSA-N 2 2 349.431 0.424 20 10 ECCDLP O=C1C[C@@H]([NH2+]Cc2cc(F)ccc2O)CN1CC[NH+]1CCOCC1 ZINC000180924324 437305587 /nfs/dbraw/zinc/30/55/87/437305587.db2.gz KVBRUYKOLGDNLV-OAHLLOKOSA-N 2 2 337.395 0.554 20 10 ECCDLP COc1ccc(N2CC[NH+](C[C@H](O)C[N@H+](C)[C@@H](C)CO)CC2)cc1 ZINC000754069979 579412317 /nfs/dbraw/zinc/41/23/17/579412317.db2.gz JDNCHUUCSADBJS-DOTOQJQBSA-N 2 2 337.464 0.491 20 10 ECCDLP COc1ccc(N2CC[NH+](C[C@H](O)C[N@@H+](C)[C@@H](C)CO)CC2)cc1 ZINC000754069979 579412318 /nfs/dbraw/zinc/41/23/18/579412318.db2.gz JDNCHUUCSADBJS-DOTOQJQBSA-N 2 2 337.464 0.491 20 10 ECCDLP CC[C@@H](CO)[NH2+]C[C@H](O)C[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000758185625 579468273 /nfs/dbraw/zinc/46/82/73/579468273.db2.gz JWSDQYYAAPICSI-RDJZCZTQSA-N 2 2 337.464 0.539 20 10 ECCDLP CN(C)C(=O)COC1C[NH+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000839138851 586839580 /nfs/dbraw/zinc/83/95/80/586839580.db2.gz UXCJXHWXEARSFO-UHFFFAOYSA-N 2 2 346.475 0.727 20 10 ECCDLP COCC1C[NH+](C[C@@H](O)C[NH+]2CCN(c3ccc(OC)cc3)CC2)C1 ZINC000905972740 586925839 /nfs/dbraw/zinc/92/58/39/586925839.db2.gz SSFHUVKKIXGUJN-SFHVURJKSA-N 2 2 349.475 0.756 20 10 ECCDLP COc1ccc(N2CC[NH+](C[C@H](O)C[NH2+]C[C@H]3CCOC3)CC2)cc1 ZINC000818976056 587462984 /nfs/dbraw/zinc/46/29/84/587462984.db2.gz RVNDSVZTWXKKRW-SJLPKXTDSA-N 2 2 349.475 0.804 20 10 ECCDLP COc1ccc(N2CC[NH+](C[C@@H](O)C[NH2+]C[C@H](C)OC)CC2)cc1 ZINC000849326368 589325938 /nfs/dbraw/zinc/32/59/38/589325938.db2.gz HTPIYUDKQHKHMW-RDJZCZTQSA-N 2 2 337.464 0.803 20 10 ECCDLP CC[NH2+][C@@H](C)C(=O)NCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000876783101 590415036 /nfs/dbraw/zinc/41/50/36/590415036.db2.gz ZTDIJCKPMTWCMO-HNNXBMFYSA-N 2 2 334.464 0.931 20 10 ECCDLP COC(=O)[C@@H]1C[N@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)CCO1 ZINC000775676705 579269715 /nfs/dbraw/zinc/26/97/15/579269715.db2.gz YBGMAGDPETWWIO-KRWDZBQOSA-N 2 2 333.432 0.812 20 10 ECCDLP COC(=O)[C@@H]1C[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)CCO1 ZINC000775676705 579269717 /nfs/dbraw/zinc/26/97/17/579269717.db2.gz YBGMAGDPETWWIO-KRWDZBQOSA-N 2 2 333.432 0.812 20 10 ECCDLP COc1ccc(N2CC[NH+](C[C@@H](O)C[NH2+]C[C@H](O)C3CC3)CC2)cc1 ZINC000843072309 589049070 /nfs/dbraw/zinc/04/90/70/589049070.db2.gz WCJYHYMFXIDUMG-HKUYNNGSSA-N 2 2 349.475 0.539 20 10 ECCDLP COc1ccc(N2CCN(C(=O)C[N@H+]3C[C@H]4C[NH2+]C[C@H]4C3)CC2)cc1 ZINC000844222436 589103679 /nfs/dbraw/zinc/10/36/79/589103679.db2.gz FBNHPHZZWFSXTH-IYBDPMFKSA-N 2 2 344.459 0.495 20 10 ECCDLP COc1ccc(N2CCN(C(=O)C[N@@H+]3C[C@H]4C[NH2+]C[C@H]4C3)CC2)cc1 ZINC000844222436 589103681 /nfs/dbraw/zinc/10/36/81/589103681.db2.gz FBNHPHZZWFSXTH-IYBDPMFKSA-N 2 2 344.459 0.495 20 10 ECCDLP C[NH2+]C[C@@H](C)NC(=O)C(=O)NC1CC[NH+](c2ccc(OC)cc2)CC1 ZINC000851685910 589414039 /nfs/dbraw/zinc/41/40/39/589414039.db2.gz HWPJONIPOURNRJ-CYBMUJFWSA-N 2 2 348.447 0.504 20 10 ECCDLP CN(C)c1cc(F)c(C[NH2+]CC(=O)N2CC[NH+](C)CC2)cc1F ZINC000858117993 589724879 /nfs/dbraw/zinc/72/48/79/589724879.db2.gz JMJUKPOZLRMOMD-UHFFFAOYSA-N 2 2 326.391 0.894 20 10 ECCDLP COc1ccc(N2CCN(C(=O)C[NH+]3C[C@@H]4C[NH2+]C[C@H]4C3)CC2)cc1 ZINC000916739652 609948420 /nfs/dbraw/zinc/94/84/20/609948420.db2.gz FBNHPHZZWFSXTH-HOTGVXAUSA-N 2 2 344.459 0.495 20 10 ECCDLP COc1ccc(N2CCC[N@H+](CC(=O)N3CC[NH+](C)CC3)CC2)cc1 ZINC000178983774 437246874 /nfs/dbraw/zinc/24/68/74/437246874.db2.gz MUDKBBHJZAOSGN-UHFFFAOYSA-N 2 2 346.475 0.981 20 10 ECCDLP COc1ccc(N2CCC[N@@H+](CC(=O)N3CC[NH+](C)CC3)CC2)cc1 ZINC000178983774 437246878 /nfs/dbraw/zinc/24/68/78/437246878.db2.gz MUDKBBHJZAOSGN-UHFFFAOYSA-N 2 2 346.475 0.981 20 10 ECCDLP COc1ccc(N2CC[NH+](C[C@H](O)C[N@H+](C)C[C@@H](C)O)CC2)cc1 ZINC000754048077 579411685 /nfs/dbraw/zinc/41/16/85/579411685.db2.gz DNDDMGYFWBTZBB-NVXWUHKLSA-N 2 2 337.464 0.491 20 10 ECCDLP COc1ccc(N2CC[NH+](C[C@H](O)C[N@@H+](C)C[C@@H](C)O)CC2)cc1 ZINC000754048077 579411687 /nfs/dbraw/zinc/41/16/87/579411687.db2.gz DNDDMGYFWBTZBB-NVXWUHKLSA-N 2 2 337.464 0.491 20 10 ECCDLP COc1ccc(N2CC[NH+](C[C@@H](O)C[N@H+](C)C[C@H](C)O)CC2)cc1 ZINC000754048078 579411714 /nfs/dbraw/zinc/41/17/14/579411714.db2.gz DNDDMGYFWBTZBB-RDJZCZTQSA-N 2 2 337.464 0.491 20 10 ECCDLP COc1ccc(N2CC[NH+](C[C@@H](O)C[N@@H+](C)C[C@H](C)O)CC2)cc1 ZINC000754048078 579411716 /nfs/dbraw/zinc/41/17/16/579411716.db2.gz DNDDMGYFWBTZBB-RDJZCZTQSA-N 2 2 337.464 0.491 20 10 ECCDLP COc1ccc(N2CC[NH+](C[C@@H](O)C[N@H+](C)C[C@@H](C)O)CC2)cc1 ZINC000754048079 579411735 /nfs/dbraw/zinc/41/17/35/579411735.db2.gz DNDDMGYFWBTZBB-WBVHZDCISA-N 2 2 337.464 0.491 20 10 ECCDLP COc1ccc(N2CC[NH+](C[C@@H](O)C[N@@H+](C)C[C@@H](C)O)CC2)cc1 ZINC000754048079 579411736 /nfs/dbraw/zinc/41/17/36/579411736.db2.gz DNDDMGYFWBTZBB-WBVHZDCISA-N 2 2 337.464 0.491 20 10 ECCDLP COc1ccc(N2CC[NH+](C[C@H](O)C[N@@H+]3CC[C@](C)(O)C3)CC2)cc1 ZINC000754050738 579411909 /nfs/dbraw/zinc/41/19/09/579411909.db2.gz ROBQVFDFZWMCLU-HKUYNNGSSA-N 2 2 349.475 0.635 20 10 ECCDLP COc1ccc(N2CC[NH+](C[C@H](O)C[N@H+]3CC[C@](C)(O)C3)CC2)cc1 ZINC000754050738 579411910 /nfs/dbraw/zinc/41/19/10/579411910.db2.gz ROBQVFDFZWMCLU-HKUYNNGSSA-N 2 2 349.475 0.635 20 10 ECCDLP CCc1cccc(C[NH2+][C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1O ZINC000848899108 589315304 /nfs/dbraw/zinc/31/53/04/589315304.db2.gz CDPSUTCSNFTHDI-KRWDZBQOSA-N 2 2 347.459 0.977 20 10 ECCDLP COc1ccc(N2CC[NH+](C[C@H](O)C[NH2+]C[C@@H](C)OC)CC2)cc1 ZINC000849328627 589325942 /nfs/dbraw/zinc/32/59/42/589325942.db2.gz HTPIYUDKQHKHMW-NVXWUHKLSA-N 2 2 337.464 0.803 20 10 ECCDLP COc1ccc(O)c(C[NH+]2CCN(C(=O)N3CC[NH2+]CC3)CC2)c1 ZINC000530243531 439494872 /nfs/dbraw/zinc/49/48/72/439494872.db2.gz SCDIAPKFLPBNIF-UHFFFAOYSA-N 2 2 334.420 0.544 20 10 ECCDLP COc1ccc(N2CC[NH+](C[C@@H](O)C[N@H+]3CC[C@@H](OC)C3)CC2)cc1 ZINC000754052190 579411852 /nfs/dbraw/zinc/41/18/52/579411852.db2.gz XMXUWSMLDLIXEN-IEBWSBKVSA-N 2 2 349.475 0.899 20 10 ECCDLP COc1ccc(N2CC[NH+](C[C@@H](O)C[N@@H+]3CC[C@@H](OC)C3)CC2)cc1 ZINC000754052190 579411854 /nfs/dbraw/zinc/41/18/54/579411854.db2.gz XMXUWSMLDLIXEN-IEBWSBKVSA-N 2 2 349.475 0.899 20 10 ECCDLP COc1ccc(N2CC[NH+](C[C@@H](O)C[N@H+](C)[C@H](C)CO)CC2)cc1 ZINC000754069986 579412283 /nfs/dbraw/zinc/41/22/83/579412283.db2.gz JDNCHUUCSADBJS-WBVHZDCISA-N 2 2 337.464 0.491 20 10 ECCDLP COc1ccc(N2CC[NH+](C[C@@H](O)C[N@@H+](C)[C@H](C)CO)CC2)cc1 ZINC000754069986 579412285 /nfs/dbraw/zinc/41/22/85/579412285.db2.gz JDNCHUUCSADBJS-WBVHZDCISA-N 2 2 337.464 0.491 20 10 ECCDLP COC(=O)c1ccc(O)c([C@H](C)[NH2+]CC(=O)N2CC[NH+](C)CC2)c1 ZINC000756489749 579450583 /nfs/dbraw/zinc/45/05/83/579450583.db2.gz IZZLXZPRTDTVBI-LBPRGKRZSA-N 2 2 335.404 0.603 20 10 ECCDLP COC[C@H](C)[NH2+]C[C@@H](O)C[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000758183956 579468308 /nfs/dbraw/zinc/46/83/08/579468308.db2.gz CAMWDVAHLJXYMT-DOTOQJQBSA-N 2 2 337.464 0.803 20 10 ECCDLP COC(=O)[C@@H]1[C@@H](O)CCC[N@@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000783705076 578744716 /nfs/dbraw/zinc/74/47/16/578744716.db2.gz UXQQQVMSHDXQPW-ROUUACIJSA-N 2 2 347.459 0.937 20 10 ECCDLP COC(=O)[C@@H]1[C@@H](O)CCC[N@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000783705076 578744717 /nfs/dbraw/zinc/74/47/17/578744717.db2.gz UXQQQVMSHDXQPW-ROUUACIJSA-N 2 2 347.459 0.937 20 10 ECCDLP COc1ccc(N2CC[NH+](C[C@H](O)C[NH2+][C@@H](CO)C3CC3)CC2)cc1 ZINC000771806926 579195486 /nfs/dbraw/zinc/19/54/86/579195486.db2.gz JWCDSAFMJJAEKC-MJGOQNOKSA-N 2 2 349.475 0.539 20 10 ECCDLP COc1ccc(N2CC[NH+](CCNC(=O)[C@@H]3[NH2+]CC3(C)C)CC2)cc1 ZINC000829505360 588327485 /nfs/dbraw/zinc/32/74/85/588327485.db2.gz LSPNCSFFXHDXES-KRWDZBQOSA-N 2 2 346.475 0.931 20 10 ECCDLP COc1ccc(N2CC[NH+](C[C@H](O)C[NH2+]C[C@H](C)OC)CC2)cc1 ZINC000849326367 589325906 /nfs/dbraw/zinc/32/59/06/589325906.db2.gz HTPIYUDKQHKHMW-DOTOQJQBSA-N 2 2 337.464 0.803 20 10 ECCDLP C[NH2+]C[C@H](C)NC(=O)C(=O)NC1CC[NH+](c2ccc(OC)cc2)CC1 ZINC000851685913 589413929 /nfs/dbraw/zinc/41/39/29/589413929.db2.gz HWPJONIPOURNRJ-ZDUSSCGKSA-N 2 2 348.447 0.504 20 10 ECCDLP C[NH+](C)C[C@@H]1C[NH+](Cc2cc3c(cc2O)OC[C@H]3O)C[C@H]1C[NH+](C)C ZINC000872636075 590136062 /nfs/dbraw/zinc/13/60/62/590136062.db2.gz HFXFUGUQDRGNCK-IIDMSEBBSA-N 3 2 349.475 0.989 20 10 ECCDLP Cc1ccc(O)c(C[NH2+][C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1 ZINC000178907115 437238216 /nfs/dbraw/zinc/23/82/16/437238216.db2.gz JEKZGNVJAXQVSO-MRXNPFEDSA-N 2 2 333.432 0.723 20 10 ECCDLP COc1c(O)c(C[NH2+]C[C@H](O)C[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC000278627315 437330013 /nfs/dbraw/zinc/33/00/13/437330013.db2.gz GJWPJVBLXZFWBF-LBPRGKRZSA-N 2 2 325.365 0.855 20 10 ECCDLP C[C@H](O)CN1CC[NH+](Cc2ccc(N3CC[NH+](C)CC3)cc2)CC1 ZINC000775675737 579269813 /nfs/dbraw/zinc/26/98/13/579269813.db2.gz AQDYPCZAHLFFRP-KRWDZBQOSA-N 2 2 332.492 0.937 20 10 ECCDLP COC[C@H]1CC[N@@H+]1C[C@H](O)C[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000815127600 587282803 /nfs/dbraw/zinc/28/28/03/587282803.db2.gz CBYBZJIXORBDLL-QZTJIDSGSA-N 2 2 349.475 0.899 20 10 ECCDLP COC[C@H]1CC[N@H+]1C[C@H](O)C[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000815127600 587282805 /nfs/dbraw/zinc/28/28/05/587282805.db2.gz CBYBZJIXORBDLL-QZTJIDSGSA-N 2 2 349.475 0.899 20 10 ECCDLP COc1ccc(N2CC[NH+](C[C@@H](O)C[NH2+]CC3(CO)CC3)CC2)cc1 ZINC000843076915 589049614 /nfs/dbraw/zinc/04/96/14/589049614.db2.gz ZQKXLPYQTRRGKJ-KRWDZBQOSA-N 2 2 349.475 0.540 20 10 ECCDLP COc1ccc(N2CC[NH+](C[C@H](O)C[NH2+]C[C@@H]3CCN3C)CC2)cc1 ZINC000905547414 586898743 /nfs/dbraw/zinc/89/87/43/586898743.db2.gz WPCLXBDJMXDIEU-ZWKOTPCHSA-N 2 2 348.491 0.472 20 10 ECCDLP COc1ccc(N2CC[NH+](C[C@H](O)CNC[C@@H]3CC[N@H+]3C)CC2)cc1 ZINC000905547414 586898747 /nfs/dbraw/zinc/89/87/47/586898747.db2.gz WPCLXBDJMXDIEU-ZWKOTPCHSA-N 2 2 348.491 0.472 20 10 ECCDLP COC[C@H]1CC[N@@H+]1C[C@@H](O)C[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000815127599 587283117 /nfs/dbraw/zinc/28/31/17/587283117.db2.gz CBYBZJIXORBDLL-MSOLQXFVSA-N 2 2 349.475 0.899 20 10 ECCDLP COC[C@H]1CC[N@H+]1C[C@@H](O)C[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000815127599 587283118 /nfs/dbraw/zinc/28/31/18/587283118.db2.gz CBYBZJIXORBDLL-MSOLQXFVSA-N 2 2 349.475 0.899 20 10 ECCDLP COc1ccc(N2CC[NH+](C[C@@H](O)C[NH2+][C@H]3CCOC3)CC2)cc1 ZINC000819187344 587471909 /nfs/dbraw/zinc/47/19/09/587471909.db2.gz IKAGZZGKCKPJFK-RDJZCZTQSA-N 2 2 335.448 0.557 20 10 ECCDLP COc1ccc([NH+]2CCC(NC(=O)C(=O)N(C)C[C@@H](C)[NH3+])CC2)cc1 ZINC000861759586 589888668 /nfs/dbraw/zinc/88/86/68/589888668.db2.gz MVTVOAWMAHEJMV-CYBMUJFWSA-N 2 2 348.447 0.586 20 10 ECCDLP O=C1C[C@@H]([NH2+][C@@H]2CCc3cccc(O)c32)CN1CC[NH+]1CCOCC1 ZINC000296986360 436999435 /nfs/dbraw/zinc/99/94/35/436999435.db2.gz SCLGMRGAGXSLOM-HZPDHXFCSA-N 2 2 345.443 0.902 20 10 ECCDLP CCOc1ccc(O)c(C[NH+]2CCN(C(=O)N3CC[NH2+]CC3)CC2)c1 ZINC000530241003 439494300 /nfs/dbraw/zinc/49/43/00/439494300.db2.gz ASJOIIIFGPULAC-UHFFFAOYSA-N 2 2 348.447 0.934 20 10 ECCDLP COc1ccc(N2CC[NH+](C[C@H](O)C[N@H+]3CC[C@H](OC)C3)CC2)cc1 ZINC000754052189 579411798 /nfs/dbraw/zinc/41/17/98/579411798.db2.gz XMXUWSMLDLIXEN-HKUYNNGSSA-N 2 2 349.475 0.899 20 10 ECCDLP COc1ccc(N2CC[NH+](C[C@H](O)C[N@@H+]3CC[C@H](OC)C3)CC2)cc1 ZINC000754052189 579411799 /nfs/dbraw/zinc/41/17/99/579411799.db2.gz XMXUWSMLDLIXEN-HKUYNNGSSA-N 2 2 349.475 0.899 20 10 ECCDLP COc1ccc(N2CC[NH+](C[C@@H](O)C[N@@H+]3CC[C@H](O)C3)CC2)cc1 ZINC000754027086 579411125 /nfs/dbraw/zinc/41/11/25/579411125.db2.gz BHHWNWJCFOLJJG-DLBZAZTESA-N 2 2 335.448 0.245 20 10 ECCDLP COc1ccc(N2CC[NH+](C[C@@H](O)C[N@H+]3CC[C@H](O)C3)CC2)cc1 ZINC000754027086 579411126 /nfs/dbraw/zinc/41/11/26/579411126.db2.gz BHHWNWJCFOLJJG-DLBZAZTESA-N 2 2 335.448 0.245 20 10 ECCDLP COC(=O)c1ccc(O)c([C@H](C)[NH2+]CCC(=O)N2CC[NH+](C)CC2)c1 ZINC000756536269 579450938 /nfs/dbraw/zinc/45/09/38/579450938.db2.gz UGPRUCVQPQKYIL-ZDUSSCGKSA-N 2 2 349.431 0.994 20 10 ECCDLP COc1ccc([NH+]2CCC(NC(=O)NC[C@H]3C[NH2+]CCO3)CC2)cc1 ZINC000841779006 589000475 /nfs/dbraw/zinc/00/04/75/589000475.db2.gz KEYNLOHFTFVIQK-QGZVFWFLSA-N 2 2 348.447 0.952 20 10 ECCDLP COc1ccc([NH+]2CCC(NC(=O)C(=O)NCC(C)(C)[NH3+])CC2)cc1 ZINC000842185949 589018852 /nfs/dbraw/zinc/01/88/52/589018852.db2.gz CCOBBLZCVDTNTB-UHFFFAOYSA-N 2 2 348.447 0.634 20 10 ECCDLP COc1ccc(N2CC[NH+](C[C@H](O)C[N@@H+]3C[C@H](C)[C@H](O)C3)CC2)cc1 ZINC000754097213 579412951 /nfs/dbraw/zinc/41/29/51/579412951.db2.gz MHLFRDJVDLTCCV-VDZJLULYSA-N 2 2 349.475 0.491 20 10 ECCDLP COc1ccc(N2CC[NH+](C[C@H](O)C[N@H+]3C[C@H](C)[C@H](O)C3)CC2)cc1 ZINC000754097213 579412953 /nfs/dbraw/zinc/41/29/53/579412953.db2.gz MHLFRDJVDLTCCV-VDZJLULYSA-N 2 2 349.475 0.491 20 10 ECCDLP CC[C@H](CO)[NH2+]C[C@@H](O)C[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000758185623 579468286 /nfs/dbraw/zinc/46/82/86/579468286.db2.gz JWSDQYYAAPICSI-NVXWUHKLSA-N 2 2 337.464 0.539 20 10 ECCDLP C[C@@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)c1ccc(N2CCOCC2)cc1 ZINC000765417768 579065440 /nfs/dbraw/zinc/06/54/40/579065440.db2.gz UTGKYTFTVSXCBK-MRXNPFEDSA-N 2 2 346.475 0.948 20 10 ECCDLP COc1ccc(N2CC[NH+](C[C@H](O)C[NH2+]C[C@@H](O)C3CC3)CC2)cc1 ZINC000843072310 589049099 /nfs/dbraw/zinc/04/90/99/589049099.db2.gz WCJYHYMFXIDUMG-IEBWSBKVSA-N 2 2 349.475 0.539 20 10 ECCDLP COC[C@@H]1CC[N@@H+]1C[C@H](O)C[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000815127602 587283070 /nfs/dbraw/zinc/28/30/70/587283070.db2.gz CBYBZJIXORBDLL-ZWKOTPCHSA-N 2 2 349.475 0.899 20 10 ECCDLP COC[C@@H]1CC[N@H+]1C[C@H](O)C[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000815127602 587283072 /nfs/dbraw/zinc/28/30/72/587283072.db2.gz CBYBZJIXORBDLL-ZWKOTPCHSA-N 2 2 349.475 0.899 20 10 ECCDLP COC(=O)C[C@H]([NH3+])C(=O)NC1CC[NH+](c2ccc(OC)cc2)CC1 ZINC000828352683 588174525 /nfs/dbraw/zinc/17/45/25/588174525.db2.gz BICYTZMMVGESCB-HNNXBMFYSA-N 2 2 335.404 0.671 20 10 ECCDLP C[NH+](C)C[C@@H]1C[NH+](Cc2cc3c(cc2O)OC[C@@H]3O)C[C@H]1C[NH+](C)C ZINC000872636076 590136286 /nfs/dbraw/zinc/13/62/86/590136286.db2.gz HFXFUGUQDRGNCK-RKVPGOIHSA-N 3 2 349.475 0.989 20 10 ECCDLP COc1ccc(N2CC[NH+](C[C@H](O)C[N@@H+]3C[C@H]4C[C@@]4(O)C3)CC2)cc1 ZINC000880419850 590391760 /nfs/dbraw/zinc/39/17/60/590391760.db2.gz RADSYXGUDHNQFQ-HHXXYDBFSA-N 2 2 347.459 0.245 20 10 ECCDLP COc1ccc(N2CC[NH+](C[C@H](O)C[N@H+]3C[C@H]4C[C@@]4(O)C3)CC2)cc1 ZINC000880419850 590391763 /nfs/dbraw/zinc/39/17/63/590391763.db2.gz RADSYXGUDHNQFQ-HHXXYDBFSA-N 2 2 347.459 0.245 20 10 ECCDLP Cc1ccc(C[NH2+][C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c(O)c1 ZINC000877152639 590441207 /nfs/dbraw/zinc/44/12/07/590441207.db2.gz OWARVVAHULZACB-MRXNPFEDSA-N 2 2 333.432 0.723 20 10 ECCDLP Oc1cc2c(cc1C[N@@H+]1CC[C@H](C[NH+]3CCOCC3)C1)[C@H](O)CO2 ZINC000768466595 579126216 /nfs/dbraw/zinc/12/62/16/579126216.db2.gz SRJUUVSXQGRXGH-CXAGYDPISA-N 2 2 334.416 0.972 20 10 ECCDLP Oc1cc2c(cc1C[N@H+]1CC[C@H](C[NH+]3CCOCC3)C1)[C@H](O)CO2 ZINC000768466595 579126217 /nfs/dbraw/zinc/12/62/17/579126217.db2.gz SRJUUVSXQGRXGH-CXAGYDPISA-N 2 2 334.416 0.972 20 10 ECCDLP CC(=O)NC[C@H]1C[N@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)CCO1 ZINC000775700136 579270083 /nfs/dbraw/zinc/27/00/83/579270083.db2.gz GGMSMINMUIHAAO-IBGZPJMESA-N 2 2 346.475 0.775 20 10 ECCDLP CC(=O)NC[C@H]1C[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)CCO1 ZINC000775700136 579270084 /nfs/dbraw/zinc/27/00/84/579270084.db2.gz GGMSMINMUIHAAO-IBGZPJMESA-N 2 2 346.475 0.775 20 10 ECCDLP COc1ccc(N2CC[NH+](C[C@@H](O)C[NH2+]C[C@H]3CCN3C)CC2)cc1 ZINC000905547411 586898909 /nfs/dbraw/zinc/89/89/09/586898909.db2.gz WPCLXBDJMXDIEU-MSOLQXFVSA-N 2 2 348.491 0.472 20 10 ECCDLP COc1ccc(N2CC[NH+](C[C@@H](O)CNC[C@H]3CC[N@H+]3C)CC2)cc1 ZINC000905547411 586898914 /nfs/dbraw/zinc/89/89/14/586898914.db2.gz WPCLXBDJMXDIEU-MSOLQXFVSA-N 2 2 348.491 0.472 20 10 ECCDLP COc1ccc(N2CC[NH+](C[C@@H](O)C[NH2+]C[C@H]3CCCO3)CC2)cc1 ZINC000819342409 587476807 /nfs/dbraw/zinc/47/68/07/587476807.db2.gz RILPWDFBJYOJCQ-PKOBYXMFSA-N 2 2 349.475 0.947 20 10 ECCDLP COc1ccc([NH+]2CCC(NC(=O)NC[C@H]3COCC[NH2+]3)CC2)cc1 ZINC000861572564 589865311 /nfs/dbraw/zinc/86/53/11/589865311.db2.gz SETDENSWCPNXSP-HNNXBMFYSA-N 2 2 348.447 0.952 20 10 ECCDLP COc1ccc(N2CC[NH+](C[C@@H](O)C[N@H+](C)[C@@H]3CCOC3)CC2)cc1 ZINC000754028699 579411261 /nfs/dbraw/zinc/41/12/61/579411261.db2.gz BRRBOOXFTSJDDQ-MSOLQXFVSA-N 2 2 349.475 0.899 20 10 ECCDLP COc1ccc(N2CC[NH+](C[C@@H](O)C[N@@H+](C)[C@@H]3CCOC3)CC2)cc1 ZINC000754028699 579411263 /nfs/dbraw/zinc/41/12/63/579411263.db2.gz BRRBOOXFTSJDDQ-MSOLQXFVSA-N 2 2 349.475 0.899 20 10 ECCDLP O=C(C[NH+]1CCCC1)N1CC[NH+](Cc2cc3c(cc2O)OCO3)CC1 ZINC000738159804 579608892 /nfs/dbraw/zinc/60/88/92/579608892.db2.gz DIWYVFZYOTXQID-UHFFFAOYSA-N 2 2 347.415 0.861 20 10 ECCDLP C[N@@H+]1CCN(C(=O)NCc2ccc(N3CCOCC3)cc2)[C@@H](C[NH3+])C1 ZINC000841730059 588999449 /nfs/dbraw/zinc/99/94/49/588999449.db2.gz NDTYSAJEYHUKOZ-KRWDZBQOSA-N 2 2 347.463 0.308 20 10 ECCDLP C[N@H+]1CCN(C(=O)NCc2ccc(N3CCOCC3)cc2)[C@@H](C[NH3+])C1 ZINC000841730059 588999450 /nfs/dbraw/zinc/99/94/50/588999450.db2.gz NDTYSAJEYHUKOZ-KRWDZBQOSA-N 2 2 347.463 0.308 20 10 ECCDLP C[N@@H+]1CCN(C(=O)NCc2ccc(N3CC=CC3)cc2)[C@@H](C[NH3+])C1 ZINC000841832006 589002232 /nfs/dbraw/zinc/00/22/32/589002232.db2.gz KTAMDMVJNSDRRS-KRWDZBQOSA-N 2 2 329.448 0.847 20 10 ECCDLP C[N@H+]1CCN(C(=O)NCc2ccc(N3CC=CC3)cc2)[C@@H](C[NH3+])C1 ZINC000841832006 589002233 /nfs/dbraw/zinc/00/22/33/589002233.db2.gz KTAMDMVJNSDRRS-KRWDZBQOSA-N 2 2 329.448 0.847 20 10 ECCDLP COc1ccc(N2CC[NH+](C[C@@H](O)C[NH2+]C[C@@H](O)C3CC3)CC2)cc1 ZINC000843072314 589049078 /nfs/dbraw/zinc/04/90/78/589049078.db2.gz WCJYHYMFXIDUMG-PKOBYXMFSA-N 2 2 349.475 0.539 20 10 ECCDLP COc1ccc(N2CC[NH+](CCNC(=O)[C@@H]3C[C@H]4C[C@H]4[NH2+]3)CC2)cc1 ZINC000844190330 589101573 /nfs/dbraw/zinc/10/15/73/589101573.db2.gz HXIVYZSXSAJHCZ-OLMNPRSZSA-N 2 2 344.459 0.684 20 10 ECCDLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000756121344 579445650 /nfs/dbraw/zinc/44/56/50/579445650.db2.gz OXSKEPVQIXAVAN-WMLDXEAASA-N 2 2 337.489 0.961 20 10 ECCDLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000756121344 579445651 /nfs/dbraw/zinc/44/56/51/579445651.db2.gz OXSKEPVQIXAVAN-WMLDXEAASA-N 2 2 337.489 0.961 20 10 ECCDLP COc1ccc(N2CC[NH+](CCNC(=O)Cn3cc[nH+]c3)CC2)cc1 ZINC000746175923 579832145 /nfs/dbraw/zinc/83/21/45/579832145.db2.gz XUXMLWAILBCZCR-UHFFFAOYSA-N 2 2 343.431 0.830 20 10 ECCDLP COc1ccc(N2CC[NH+](C[C@H](O)C[NH2+][C@@H]3CCOC3)CC2)cc1 ZINC000819187343 587471899 /nfs/dbraw/zinc/47/18/99/587471899.db2.gz IKAGZZGKCKPJFK-NVXWUHKLSA-N 2 2 335.448 0.557 20 10 ECCDLP COc1ccc(N2CC[NH+](C[C@H](O)C[NH2+]C[C@H]3C[C@H](O)C3)CC2)cc1 ZINC000872245100 590107311 /nfs/dbraw/zinc/10/73/11/590107311.db2.gz BBXRTKSXTZIDQC-KBAYOESNSA-N 2 2 349.475 0.539 20 10 ECCDLP CCOc1ccc(C[NH+]2CCN(C(=O)N3CC[NH2+]CC3)CC2)c(O)c1 ZINC000530242631 439494813 /nfs/dbraw/zinc/49/48/13/439494813.db2.gz MJBBZHFDLPCYCZ-UHFFFAOYSA-N 2 2 348.447 0.934 20 10 ECCDLP COc1ccc(N2CC[NH+](C[C@H](O)C[N@@H+]3CC[C@@](C)(O)C3)CC2)cc1 ZINC000754050741 579411770 /nfs/dbraw/zinc/41/17/70/579411770.db2.gz ROBQVFDFZWMCLU-PKOBYXMFSA-N 2 2 349.475 0.635 20 10 ECCDLP COc1ccc(N2CC[NH+](C[C@H](O)C[N@H+]3CC[C@@](C)(O)C3)CC2)cc1 ZINC000754050741 579411772 /nfs/dbraw/zinc/41/17/72/579411772.db2.gz ROBQVFDFZWMCLU-PKOBYXMFSA-N 2 2 349.475 0.635 20 10 ECCDLP COc1ccc(N2CC[NH+](C[C@@H](O)C[NH2+][C@@H]3CCOC3)CC2)cc1 ZINC000819187345 587471905 /nfs/dbraw/zinc/47/19/05/587471905.db2.gz IKAGZZGKCKPJFK-WBVHZDCISA-N 2 2 335.448 0.557 20 10 ECCDLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000846672356 589217952 /nfs/dbraw/zinc/21/79/52/589217952.db2.gz FZAZMUPJXXYHBI-GOSISDBHSA-N 2 2 348.491 0.791 20 10 ECCDLP CN(C)c1ccc([C@@H]([NH3+])CNC(=O)/C=C/C[NH+]2CCOCC2)cc1 ZINC000876505886 590383515 /nfs/dbraw/zinc/38/35/15/590383515.db2.gz BYZVYZWTVRUFSA-IDOMTICXSA-N 2 2 332.448 0.757 20 10 ECCDLP COC(=O)c1ccc(O)c([C@@H](C)[NH2+]CCC(=O)N2CC[NH+](C)CC2)c1 ZINC000756536268 579450943 /nfs/dbraw/zinc/45/09/43/579450943.db2.gz UGPRUCVQPQKYIL-CYBMUJFWSA-N 2 2 349.431 0.994 20 10 ECCDLP COCc1n[nH]c(C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)n1 ZINC000850360304 589364986 /nfs/dbraw/zinc/36/49/86/589364986.db2.gz GNVQXIOCNRRKJL-UHFFFAOYSA-N 2 2 330.436 0.993 20 10 ECCDLP COc1ccc(N2CC[NH+](C[C@@H](O)C[N@H+]3CC[C@H](OC)C3)CC2)cc1 ZINC000754052191 579411876 /nfs/dbraw/zinc/41/18/76/579411876.db2.gz XMXUWSMLDLIXEN-MJGOQNOKSA-N 2 2 349.475 0.899 20 10 ECCDLP COc1ccc(N2CC[NH+](C[C@@H](O)C[N@@H+]3CC[C@H](OC)C3)CC2)cc1 ZINC000754052191 579411877 /nfs/dbraw/zinc/41/18/77/579411877.db2.gz XMXUWSMLDLIXEN-MJGOQNOKSA-N 2 2 349.475 0.899 20 10 ECCDLP COc1ccc(N2CC[NH+](C[C@H](O)C[N@H+](C)[C@@H]3CCOC3)CC2)cc1 ZINC000754028700 579411252 /nfs/dbraw/zinc/41/12/52/579411252.db2.gz BRRBOOXFTSJDDQ-QZTJIDSGSA-N 2 2 349.475 0.899 20 10 ECCDLP COc1ccc(N2CC[NH+](C[C@H](O)C[N@@H+](C)[C@@H]3CCOC3)CC2)cc1 ZINC000754028700 579411254 /nfs/dbraw/zinc/41/12/54/579411254.db2.gz BRRBOOXFTSJDDQ-QZTJIDSGSA-N 2 2 349.475 0.899 20 10 ECCDLP COc1ccc(N2CC[NH+](C[C@@H](O)C[N@H+](C)CCCO)CC2)cc1 ZINC000799363493 578663970 /nfs/dbraw/zinc/66/39/70/578663970.db2.gz FTHORTXSYPKARK-KRWDZBQOSA-N 2 2 337.464 0.492 20 10 ECCDLP COc1ccc(N2CC[NH+](C[C@@H](O)C[N@@H+](C)CCCO)CC2)cc1 ZINC000799363493 578663972 /nfs/dbraw/zinc/66/39/72/578663972.db2.gz FTHORTXSYPKARK-KRWDZBQOSA-N 2 2 337.464 0.492 20 10 ECCDLP CC(=O)NC[C@@H]1C[N@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)CCO1 ZINC000775700139 579270097 /nfs/dbraw/zinc/27/00/97/579270097.db2.gz GGMSMINMUIHAAO-LJQANCHMSA-N 2 2 346.475 0.775 20 10 ECCDLP CC(=O)NC[C@@H]1C[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)CCO1 ZINC000775700139 579270098 /nfs/dbraw/zinc/27/00/98/579270098.db2.gz GGMSMINMUIHAAO-LJQANCHMSA-N 2 2 346.475 0.775 20 10 ECCDLP C[NH+]1CCN(c2ccc(C[N@@H+]3CCN4C(=O)NC(=O)[C@@H]4C3)cc2)CC1 ZINC000779433141 579315861 /nfs/dbraw/zinc/31/58/61/579315861.db2.gz QTLXOPIZVMFTRX-INIZCTEOSA-N 2 2 343.431 0.174 20 10 ECCDLP C[NH+]1CCN(c2ccc(C[N@H+]3CCN4C(=O)NC(=O)[C@@H]4C3)cc2)CC1 ZINC000779433141 579315862 /nfs/dbraw/zinc/31/58/62/579315862.db2.gz QTLXOPIZVMFTRX-INIZCTEOSA-N 2 2 343.431 0.174 20 10 ECCDLP COc1ccc(N2CCN(C(=O)[C@@H]([NH3+])CC[NH+](C)C)CC2)cc1F ZINC000846674202 589217986 /nfs/dbraw/zinc/21/79/86/589217986.db2.gz KCXQUCSAXJBALM-HNNXBMFYSA-N 2 2 338.427 0.762 20 10 ECCDLP COc1ccc(N2CC[NH+](CCNC(=O)C[NH2+]C(C)C)CC2)cc1 ZINC000852805630 589512936 /nfs/dbraw/zinc/51/29/36/589512936.db2.gz GYGRGOIBUVIWFD-UHFFFAOYSA-N 2 2 334.464 0.931 20 10 ECCDLP COc1ccc(N2CC[NH+](C[C@H](O)C[NH2+][C@H]3C[C@H](O)C3)CC2)cc1 ZINC000853130978 589532936 /nfs/dbraw/zinc/53/29/36/589532936.db2.gz MQJMBQFTTRBXPR-DJIMGWMZSA-N 2 2 335.448 0.291 20 10 ECCDLP CC[NH+]1CCN(c2ccc(CNc3nc(N)[nH+]c(N)n3)cc2F)CC1 ZINC000858399320 589746582 /nfs/dbraw/zinc/74/65/82/589746582.db2.gz BAOQPUPCEZAFNI-UHFFFAOYSA-N 2 2 346.414 0.929 20 10 ECCDLP CC[NH+]1CCN(c2ccc(CNc3nc(N)nc(N)[nH+]3)cc2F)CC1 ZINC000858399320 589746588 /nfs/dbraw/zinc/74/65/88/589746588.db2.gz BAOQPUPCEZAFNI-UHFFFAOYSA-N 2 2 346.414 0.929 20 10 ECCDLP COc1ccc(N2CC[NH+](C[C@H](O)C[NH2+][C@H]3CCC[C@@H]3O)CC2)cc1 ZINC000872224632 590105266 /nfs/dbraw/zinc/10/52/66/590105266.db2.gz HJKVQGZAOGOWDD-NEWSRXKRSA-N 2 2 349.475 0.681 20 10 ECCDLP C[N@H+](CC(=O)N1CC[NH+](C)CC1)Cc1ccc(N2CCOCC2)cc1 ZINC000183173324 610724354 /nfs/dbraw/zinc/72/43/54/610724354.db2.gz QLFZOTZIXKLHCD-UHFFFAOYSA-N 2 2 346.475 0.729 20 10 ECCDLP C[N@@H+](CC(=O)N1CC[NH+](C)CC1)Cc1ccc(N2CCOCC2)cc1 ZINC000183173324 610724356 /nfs/dbraw/zinc/72/43/56/610724356.db2.gz QLFZOTZIXKLHCD-UHFFFAOYSA-N 2 2 346.475 0.729 20 10 ECCDLP CC[N@H+](CCO)C[C@@H](O)C[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000754027431 579411164 /nfs/dbraw/zinc/41/11/64/579411164.db2.gz KNFBWVSUKCWKLC-QGZVFWFLSA-N 2 2 337.464 0.492 20 10 ECCDLP CC[N@@H+](CCO)C[C@@H](O)C[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000754027431 579411166 /nfs/dbraw/zinc/41/11/66/579411166.db2.gz KNFBWVSUKCWKLC-QGZVFWFLSA-N 2 2 337.464 0.492 20 10 ECCDLP C[C@H](NC(=O)[C@H]([NH3+])CC[NH+](C)C)c1ccc(N2CCOCC2)cc1 ZINC000846672223 589217908 /nfs/dbraw/zinc/21/79/08/589217908.db2.gz DMSJKKQWKVUANS-WMLDXEAASA-N 2 2 334.464 0.979 20 10 ECCDLP COc1ccc(N2CC[NH+](CCN[C@H]3C[NH2+]CCOC3)CC2)cc1 ZINC000925502231 611485717 /nfs/dbraw/zinc/48/57/17/611485717.db2.gz GELGEUIGYWOITC-INIZCTEOSA-N 2 2 334.464 0.395 20 10 ECCDLP C[C@H]([NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccccc1O ZINC000183609946 437389005 /nfs/dbraw/zinc/38/90/05/437389005.db2.gz DJPZKCOGCTWKPH-GJZGRUSLSA-N 2 2 333.432 0.976 20 10 ECCDLP COC(=O)c1ccc(O)c([C@H](C)[NH2+]Cc2nc(C[NH3+])cc(=O)[nH]2)c1 ZINC000854232097 589575935 /nfs/dbraw/zinc/57/59/35/589575935.db2.gz LLRRBXVXGWELTJ-VIFPVBQESA-N 2 2 332.360 0.984 20 10 ECCDLP COc1ccc(N2CC[NH+](C[C@H](O)C[N@@H+]3C[C@@H]4C[C@]4(O)C3)CC2)cc1 ZINC000880419851 590391515 /nfs/dbraw/zinc/39/15/15/590391515.db2.gz RADSYXGUDHNQFQ-IEZWGBDMSA-N 2 2 347.459 0.245 20 10 ECCDLP COc1ccc(N2CC[NH+](C[C@H](O)C[N@H+]3C[C@@H]4C[C@]4(O)C3)CC2)cc1 ZINC000880419851 590391519 /nfs/dbraw/zinc/39/15/19/590391519.db2.gz RADSYXGUDHNQFQ-IEZWGBDMSA-N 2 2 347.459 0.245 20 10 ECCDLP COc1ccc(N2CC[NH+](C[C@H](O)C[N@H+](C)[C@H]3CCOC3)CC2)cc1 ZINC000754028702 579411181 /nfs/dbraw/zinc/41/11/81/579411181.db2.gz BRRBOOXFTSJDDQ-ZWKOTPCHSA-N 2 2 349.475 0.899 20 10 ECCDLP COc1ccc(N2CC[NH+](C[C@H](O)C[N@@H+](C)[C@H]3CCOC3)CC2)cc1 ZINC000754028702 579411183 /nfs/dbraw/zinc/41/11/83/579411183.db2.gz BRRBOOXFTSJDDQ-ZWKOTPCHSA-N 2 2 349.475 0.899 20 10 ECCDLP COc1ccc(N2CC[NH+](C[C@@H](O)C[N@@H+]3CCC[C@H]3CO)CC2)cc1 ZINC000779224098 579314427 /nfs/dbraw/zinc/31/44/27/579314427.db2.gz YMDULAZWHYWROT-ZWKOTPCHSA-N 2 2 349.475 0.635 20 10 ECCDLP COc1ccc(N2CC[NH+](C[C@@H](O)C[N@H+]3CCC[C@H]3CO)CC2)cc1 ZINC000779224098 579314428 /nfs/dbraw/zinc/31/44/28/579314428.db2.gz YMDULAZWHYWROT-ZWKOTPCHSA-N 2 2 349.475 0.635 20 10 ECCDLP COc1ccc(N2CC[NH+](C[C@H](O)C[NH2+]C[C@H](O)C3CC3)CC2)cc1 ZINC000843072312 589049300 /nfs/dbraw/zinc/04/93/00/589049300.db2.gz WCJYHYMFXIDUMG-MJGOQNOKSA-N 2 2 349.475 0.539 20 10 ECCDLP COc1ccc(N2CCN(C(=O)C[N@H+](C)C3CC([NH3+])C3)CC2)cc1 ZINC000844226098 589104038 /nfs/dbraw/zinc/10/40/38/589104038.db2.gz ZYPFTUXBCJRAGY-UHFFFAOYSA-N 2 2 332.448 0.765 20 10 ECCDLP COc1ccc(N2CCN(C(=O)C[N@@H+](C)C3CC([NH3+])C3)CC2)cc1 ZINC000844226098 589104039 /nfs/dbraw/zinc/10/40/39/589104039.db2.gz ZYPFTUXBCJRAGY-UHFFFAOYSA-N 2 2 332.448 0.765 20 10 ECCDLP CCN(CC[NH3+])C(=O)C(=O)NC1CC[NH+](c2ccc(OC)cc2)CC1 ZINC000861759840 589888760 /nfs/dbraw/zinc/88/87/60/589888760.db2.gz QMCIQLYRVAHSKO-UHFFFAOYSA-N 2 2 348.447 0.587 20 10 ECCDLP O=C1C[NH2+]CCN1[C@H]1CCC[N@@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000843063502 589048651 /nfs/dbraw/zinc/04/86/51/589048651.db2.gz BSJIXSBBEHTRSY-ZDUSSCGKSA-N 2 2 333.388 0.517 20 10 ECCDLP O=C1C[NH2+]CCN1[C@H]1CCC[N@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000843063502 589048653 /nfs/dbraw/zinc/04/86/53/589048653.db2.gz BSJIXSBBEHTRSY-ZDUSSCGKSA-N 2 2 333.388 0.517 20 10 ECCDLP COc1ccc(N2CC[NH+](C[C@H](O)C[NH2+]CC3(CO)CC3)CC2)cc1 ZINC000843076916 589049372 /nfs/dbraw/zinc/04/93/72/589049372.db2.gz ZQKXLPYQTRRGKJ-QGZVFWFLSA-N 2 2 349.475 0.540 20 10 ECCDLP COc1ccc(N2CC[NH+](C[C@H](O)C[NH2+][C@H](C)CCO)CC2)cc1 ZINC000843083365 589049549 /nfs/dbraw/zinc/04/95/49/589049549.db2.gz PGKFLBRQAJZQSP-NVXWUHKLSA-N 2 2 337.464 0.539 20 10 ECCDLP COc1ccc(N2CCN(C(=O)C[NH+]3CCC([NH3+])CC3)CC2)cc1 ZINC000237265780 608904910 /nfs/dbraw/zinc/90/49/10/608904910.db2.gz NENQMGVBGNQPHA-UHFFFAOYSA-N 2 2 332.448 0.767 20 10 ECCDLP C[C@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)c1ccc(N2CCOCC2)cc1 ZINC000765417767 579065470 /nfs/dbraw/zinc/06/54/70/579065470.db2.gz UTGKYTFTVSXCBK-INIZCTEOSA-N 2 2 346.475 0.948 20 10 ECCDLP C[NH+]1CCN(c2ccc(C[N@@H+]3CCN4C(=O)NC(=O)[C@H]4C3)cc2)CC1 ZINC000779433156 579315808 /nfs/dbraw/zinc/31/58/08/579315808.db2.gz QTLXOPIZVMFTRX-MRXNPFEDSA-N 2 2 343.431 0.174 20 10 ECCDLP C[NH+]1CCN(c2ccc(C[N@H+]3CCN4C(=O)NC(=O)[C@H]4C3)cc2)CC1 ZINC000779433156 579315809 /nfs/dbraw/zinc/31/58/09/579315809.db2.gz QTLXOPIZVMFTRX-MRXNPFEDSA-N 2 2 343.431 0.174 20 10 ECCDLP COc1cc(O)c(C[N@@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)cc1OC ZINC000843065810 589049183 /nfs/dbraw/zinc/04/91/83/589049183.db2.gz QFPINNARFXRDPZ-CQSZACIVSA-N 2 2 349.431 0.806 20 10 ECCDLP COc1cc(O)c(C[N@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)cc1OC ZINC000843065810 589049184 /nfs/dbraw/zinc/04/91/84/589049184.db2.gz QFPINNARFXRDPZ-CQSZACIVSA-N 2 2 349.431 0.806 20 10 ECCDLP COC[C@@H](O)C[NH2+]CCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000818943749 587461502 /nfs/dbraw/zinc/46/15/02/587461502.db2.gz ZNKIZSCIZHYLAT-KRWDZBQOSA-N 2 2 337.464 0.804 20 10 ECCDLP CC[C@@H]([NH2+]C)C(=O)NCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000852805537 589512958 /nfs/dbraw/zinc/51/29/58/589512958.db2.gz CESFYXXQDNVDIV-QGZVFWFLSA-N 2 2 334.464 0.931 20 10 ECCDLP O=C1C[C@@H]([NH2+]Cc2ccc3c(c2)CCO3)CN1CC[NH+]1CCOCC1 ZINC000172698033 437025530 /nfs/dbraw/zinc/02/55/30/437025530.db2.gz MWZRUYYVCDYDIB-QGZVFWFLSA-N 2 2 345.443 0.644 20 10 ECCDLP O=C1C[C@H]([NH2+][C@@H]2CCc3cccc(O)c32)CN1CC[NH+]1CCOCC1 ZINC000296986366 437000365 /nfs/dbraw/zinc/00/03/65/437000365.db2.gz SCLGMRGAGXSLOM-JKSUJKDBSA-N 2 2 345.443 0.902 20 10 ECCDLP COc1ccc(N2CC[NH+](C[C@H](O)C[N@@H+]3C[C@@H](C)[C@H](O)C3)CC2)cc1 ZINC000754097199 579412914 /nfs/dbraw/zinc/41/29/14/579412914.db2.gz MHLFRDJVDLTCCV-HHXXYDBFSA-N 2 2 349.475 0.491 20 10 ECCDLP COc1ccc(N2CC[NH+](C[C@H](O)C[N@H+]3C[C@@H](C)[C@H](O)C3)CC2)cc1 ZINC000754097199 579412915 /nfs/dbraw/zinc/41/29/15/579412915.db2.gz MHLFRDJVDLTCCV-HHXXYDBFSA-N 2 2 349.475 0.491 20 10 ECCDLP COC(=O)COc1ccc([N@H+](C)C[C@H]2CCCN(C(=O)C[NH3+])C2)cc1 ZINC000841021410 588976400 /nfs/dbraw/zinc/97/64/00/588976400.db2.gz WBHWIRRTCIVHLW-CQSZACIVSA-N 2 2 349.431 0.872 20 10 ECCDLP COC(=O)COc1ccc([N@@H+](C)C[C@H]2CCCN(C(=O)C[NH3+])C2)cc1 ZINC000841021410 588976402 /nfs/dbraw/zinc/97/64/02/588976402.db2.gz WBHWIRRTCIVHLW-CQSZACIVSA-N 2 2 349.431 0.872 20 10 ECCDLP C[NH+](C)CC[C@H]([NH3+])C(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000846672357 589217990 /nfs/dbraw/zinc/21/79/90/589217990.db2.gz FZAZMUPJXXYHBI-SFHVURJKSA-N 2 2 348.491 0.791 20 10 ECCDLP COC(=O)c1ccc(O)c([C@@H](C)[NH2+]Cc2nc(C[NH3+])cc(=O)[nH]2)c1 ZINC000854232096 589576065 /nfs/dbraw/zinc/57/60/65/589576065.db2.gz LLRRBXVXGWELTJ-SECBINFHSA-N 2 2 332.360 0.984 20 10 ECCDLP CN1CC[N@@H+](C)C[C@H]1C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877031095 590434866 /nfs/dbraw/zinc/43/48/66/590434866.db2.gz MIXOONAVSLXGND-GOSISDBHSA-N 2 2 332.492 0.983 20 10 ECCDLP CN(C)c1ccc(C[NH2+][C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1 ZINC000178904267 437238494 /nfs/dbraw/zinc/23/84/94/437238494.db2.gz YVDXWIGCMMEDIL-QGZVFWFLSA-N 2 2 346.475 0.775 20 10 ECCDLP COCC(=O)N1CC[NH+](Cc2ccc(N3CC[NH+](C)CC3)cc2)CC1 ZINC000775648235 579269434 /nfs/dbraw/zinc/26/94/34/579269434.db2.gz BITZVGNQRCBTHP-UHFFFAOYSA-N 2 2 346.475 0.729 20 10 ECCDLP C[N@@H+]1CCN(C(=O)NCc2ccc(N3CC=CC3)cc2)[C@H](C[NH3+])C1 ZINC000841832007 589002273 /nfs/dbraw/zinc/00/22/73/589002273.db2.gz KTAMDMVJNSDRRS-QGZVFWFLSA-N 2 2 329.448 0.847 20 10 ECCDLP C[N@H+]1CCN(C(=O)NCc2ccc(N3CC=CC3)cc2)[C@H](C[NH3+])C1 ZINC000841832007 589002274 /nfs/dbraw/zinc/00/22/74/589002274.db2.gz KTAMDMVJNSDRRS-QGZVFWFLSA-N 2 2 329.448 0.847 20 10 ECCDLP COc1ccc(N2CC[NH+](C[C@H](O)C[NH2+][C@@H]3CCC[C@H]3O)CC2)cc1 ZINC000843062302 589048862 /nfs/dbraw/zinc/04/88/62/589048862.db2.gz HJKVQGZAOGOWDD-BHIYHBOVSA-N 2 2 349.475 0.681 20 10 ECCDLP COc1c(O)c(C[NH+]2CCN([C@@H]3CC[NH2+]C3)CC2)ccc1[N+](=O)[O-] ZINC000843125097 589051828 /nfs/dbraw/zinc/05/18/28/589051828.db2.gz WBVYPIAETRWSGH-CYBMUJFWSA-N 2 2 336.392 0.789 20 10 ECCDLP COc1ccc(N2CC[NH+](C[C@@H](O)CN3CC[NH+](C)CC3)CC2)cc1 ZINC000106381399 589207818 /nfs/dbraw/zinc/20/78/18/589207818.db2.gz YPPFULMDSKZUMC-SFHVURJKSA-N 2 2 348.491 0.426 20 10 ECCDLP COc1ccc(N2CC[NH+](C[C@@H](O)C[N@@H+]3CC=C[C@H]3CO)CC2)cc1 ZINC000880489935 590396810 /nfs/dbraw/zinc/39/68/10/590396810.db2.gz ZFPJNJXJQYRHDO-ZWKOTPCHSA-N 2 2 347.459 0.411 20 10 ECCDLP COc1ccc(N2CC[NH+](C[C@@H](O)C[N@H+]3CC=C[C@H]3CO)CC2)cc1 ZINC000880489935 590396813 /nfs/dbraw/zinc/39/68/13/590396813.db2.gz ZFPJNJXJQYRHDO-ZWKOTPCHSA-N 2 2 347.459 0.411 20 10 ECCDLP C[NH+]1CCN(C(=O)C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC000876985377 590431998 /nfs/dbraw/zinc/43/19/98/590431998.db2.gz ZGEUORQDEUZJRG-UHFFFAOYSA-N 2 2 346.475 0.511 20 10 ECCDLP Cc1ccc(C[NH2+][C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c(O)c1 ZINC000877152638 590441277 /nfs/dbraw/zinc/44/12/77/590441277.db2.gz OWARVVAHULZACB-INIZCTEOSA-N 2 2 333.432 0.723 20 10 ECCDLP C[NH+]1CCN(c2ccc(C[NH+]3CCN(C(=O)CO)CC3)cc2)CC1 ZINC000793589967 578931583 /nfs/dbraw/zinc/93/15/83/578931583.db2.gz ASQXAFYZSAQJHB-UHFFFAOYSA-N 2 2 332.448 0.075 20 10 ECCDLP C[N@H+](C[C@H](O)C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1)C1CC1 ZINC000905425878 586893730 /nfs/dbraw/zinc/89/37/30/586893730.db2.gz CEKRUALDQXVEKX-LJQANCHMSA-N 3 2 332.492 0.983 20 10 ECCDLP C[N@@H+](C[C@H](O)C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1)C1CC1 ZINC000905425878 586893733 /nfs/dbraw/zinc/89/37/33/586893733.db2.gz CEKRUALDQXVEKX-LJQANCHMSA-N 3 2 332.492 0.983 20 10 ECCDLP COc1ccc(N2CC[NH+](CCNC(=O)[C@H]3[NH2+]CC3(C)C)CC2)cc1 ZINC000829505364 588327452 /nfs/dbraw/zinc/32/74/52/588327452.db2.gz LSPNCSFFXHDXES-QGZVFWFLSA-N 2 2 346.475 0.931 20 10 ECCDLP COc1cccc(O)c1C[NH+]1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000863642447 590028252 /nfs/dbraw/zinc/02/82/52/590028252.db2.gz ONHHAJWZDFMICY-UHFFFAOYSA-N 2 2 334.420 0.544 20 10 ECCDLP COc1ccc(N2CC[NH+](C[C@@H](O)C[N@@H+]3CC=C[C@@H]3CO)CC2)cc1 ZINC000880489933 590396870 /nfs/dbraw/zinc/39/68/70/590396870.db2.gz ZFPJNJXJQYRHDO-QZTJIDSGSA-N 2 2 347.459 0.411 20 10 ECCDLP COc1ccc(N2CC[NH+](C[C@@H](O)C[N@H+]3CC=C[C@@H]3CO)CC2)cc1 ZINC000880489933 590396873 /nfs/dbraw/zinc/39/68/73/590396873.db2.gz ZFPJNJXJQYRHDO-QZTJIDSGSA-N 2 2 347.459 0.411 20 10 ECCDLP C[NH+](C)CC(=O)N1CC[NH+](Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000929261034 611334405 /nfs/dbraw/zinc/33/44/05/611334405.db2.gz YBXKOSZVCCQZNU-UHFFFAOYSA-N 2 2 346.475 0.729 20 10 ECCDLP C[N@@H+]1CCN(C2CC[NH+](Cc3cc4c(cc3O)OCO4)CC2)C(=O)C1 ZINC000365020655 437846318 /nfs/dbraw/zinc/84/63/18/437846318.db2.gz ZGUQBBSNBSUZJH-UHFFFAOYSA-N 2 2 347.415 0.859 20 10 ECCDLP C[N@H+]1CCN(C2CC[NH+](Cc3cc4c(cc3O)OCO4)CC2)C(=O)C1 ZINC000365020655 437846325 /nfs/dbraw/zinc/84/63/25/437846325.db2.gz ZGUQBBSNBSUZJH-UHFFFAOYSA-N 2 2 347.415 0.859 20 10 ECCDLP COc1ccc(N2CC[NH+](C[C@@H](O)C[N@H+](C)[C@H]3CCOC3)CC2)cc1 ZINC000754028701 579411135 /nfs/dbraw/zinc/41/11/35/579411135.db2.gz BRRBOOXFTSJDDQ-ROUUACIJSA-N 2 2 349.475 0.899 20 10 ECCDLP COc1ccc(N2CC[NH+](C[C@@H](O)C[N@@H+](C)[C@H]3CCOC3)CC2)cc1 ZINC000754028701 579411136 /nfs/dbraw/zinc/41/11/36/579411136.db2.gz BRRBOOXFTSJDDQ-ROUUACIJSA-N 2 2 349.475 0.899 20 10 ECCDLP COc1ccc(N2CC[NH+](C[C@@H](O)C[NH2+][C@@H]3CCC[C@H]3O)CC2)cc1 ZINC000843062305 589048901 /nfs/dbraw/zinc/04/89/01/589048901.db2.gz HJKVQGZAOGOWDD-QXAKKESOSA-N 2 2 349.475 0.681 20 10 ECCDLP COc1ccc(N2CC[NH+](C[C@@H](O)C[NH2+][C@H]3C[C@H](CO)C3)CC2)cc1 ZINC000905638304 586907805 /nfs/dbraw/zinc/90/78/05/586907805.db2.gz BYRHMEDYYJGVMR-BQFCYCMXSA-N 2 2 349.475 0.539 20 10 ECCDLP CCc1cccc(C[NH2+][C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1O ZINC000848899109 589315591 /nfs/dbraw/zinc/31/55/91/589315591.db2.gz CDPSUTCSNFTHDI-QGZVFWFLSA-N 2 2 347.459 0.977 20 10 ECCDLP COc1ccc(N2CC[NH+](C[C@H](O)C[NH2+]CCCCO)CC2)cc1 ZINC000843061034 589048883 /nfs/dbraw/zinc/04/88/83/589048883.db2.gz DTVDMLHPTHFHSB-QGZVFWFLSA-N 2 2 337.464 0.540 20 10 ECCDLP COc1ccc(N2CC[C@@H](CNC(=O)[C@@H]([NH3+])CC[NH+](C)C)C2)cc1 ZINC000846682823 589218810 /nfs/dbraw/zinc/21/88/10/589218810.db2.gz MLPYMNWVYUIHJZ-YOEHRIQHSA-N 2 2 334.464 0.917 20 10 ECCDLP COc1ccc(N2CC[NH+](C[C@H](O)C[NH2+][C@H]3C[C@@H](CO)C3)CC2)cc1 ZINC000872217651 590105258 /nfs/dbraw/zinc/10/52/58/590105258.db2.gz BYRHMEDYYJGVMR-SOLBZPMBSA-N 2 2 349.475 0.539 20 10 ECCDLP CC[NH2+][C@H](C)C(=O)NCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000876783102 590415123 /nfs/dbraw/zinc/41/51/23/590415123.db2.gz ZTDIJCKPMTWCMO-OAHLLOKOSA-N 2 2 334.464 0.931 20 10 ECCDLP C[NH2+]C[C@@H]1CC[N@H+](CC(=O)N2CCN(c3ccc(OC)cc3)CC2)C1 ZINC000844219200 589103732 /nfs/dbraw/zinc/10/37/32/589103732.db2.gz HWLRWGKQINIHGB-INIZCTEOSA-N 2 2 346.475 0.885 20 10 ECCDLP C[NH2+]C[C@@H]1CC[N@@H+](CC(=O)N2CCN(c3ccc(OC)cc3)CC2)C1 ZINC000844219200 589103734 /nfs/dbraw/zinc/10/37/34/589103734.db2.gz HWLRWGKQINIHGB-INIZCTEOSA-N 2 2 346.475 0.885 20 10 ECCDLP COc1ccc(N2CC[NH+](C[C@H](O)C[N@@H+]3C[C@@H](O)C[C@@H]3C)CC2)cc1 ZINC000754083255 579412607 /nfs/dbraw/zinc/41/26/07/579412607.db2.gz YFWZRNQLTUERRU-SZMVWBNQSA-N 2 2 349.475 0.633 20 10 ECCDLP COc1ccc(N2CC[NH+](C[C@H](O)C[N@H+]3C[C@@H](O)C[C@@H]3C)CC2)cc1 ZINC000754083255 579412608 /nfs/dbraw/zinc/41/26/08/579412608.db2.gz YFWZRNQLTUERRU-SZMVWBNQSA-N 2 2 349.475 0.633 20 10 ECCDLP C[NH+]1CCN(c2ccc(C[NH2+]Cc3cc(C(N)=O)no3)cc2)CC1 ZINC000757905956 579465413 /nfs/dbraw/zinc/46/54/13/579465413.db2.gz HQDKHCHEJBCOGY-UHFFFAOYSA-N 2 2 329.404 0.815 20 10 ECCDLP COc1ccc(N2CC[NH+](C[C@@H](O)C[NH2+][C@@H](CO)C3CC3)CC2)cc1 ZINC000771806924 579195488 /nfs/dbraw/zinc/19/54/88/579195488.db2.gz JWCDSAFMJJAEKC-HKUYNNGSSA-N 2 2 349.475 0.539 20 10 ECCDLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000843063501 589048661 /nfs/dbraw/zinc/04/86/61/589048661.db2.gz BSJIXSBBEHTRSY-CYBMUJFWSA-N 2 2 333.388 0.517 20 10 ECCDLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000843063501 589048663 /nfs/dbraw/zinc/04/86/63/589048663.db2.gz BSJIXSBBEHTRSY-CYBMUJFWSA-N 2 2 333.388 0.517 20 10 ECCDLP COc1ccc(N2CC[NH+](C[C@H](O)CN3CC[NH+](C)CC3)CC2)cc1 ZINC000106381403 589207718 /nfs/dbraw/zinc/20/77/18/589207718.db2.gz YPPFULMDSKZUMC-GOSISDBHSA-N 2 2 348.491 0.426 20 10 ECCDLP COc1ccc([NH+]2CCC(NC(=O)C(=O)N[C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000861758931 589888605 /nfs/dbraw/zinc/88/86/05/589888605.db2.gz DXPWTXMCFFRXNB-CQSZACIVSA-N 2 2 346.431 0.258 20 10 ECCDLP COc1cc(O)c(C[N@@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)cc1OC ZINC000843065809 589049150 /nfs/dbraw/zinc/04/91/50/589049150.db2.gz QFPINNARFXRDPZ-AWEZNQCLSA-N 2 2 349.431 0.806 20 10 ECCDLP COc1cc(O)c(C[N@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)cc1OC ZINC000843065809 589049152 /nfs/dbraw/zinc/04/91/52/589049152.db2.gz QFPINNARFXRDPZ-AWEZNQCLSA-N 2 2 349.431 0.806 20 10 ECCDLP COc1cc(O)c(C[N@@H+]2CCN(CC[NH+](C)C)C(=O)C2)cc1OC ZINC000844714738 589117933 /nfs/dbraw/zinc/11/79/33/589117933.db2.gz PQJSHYBKQPULFJ-UHFFFAOYSA-N 2 2 337.420 0.615 20 10 ECCDLP COc1cc(O)c(C[N@H+]2CCN(CC[NH+](C)C)C(=O)C2)cc1OC ZINC000844714738 589117935 /nfs/dbraw/zinc/11/79/35/589117935.db2.gz PQJSHYBKQPULFJ-UHFFFAOYSA-N 2 2 337.420 0.615 20 10 ECCDLP COc1ccc(N2CC[NH+](CCNC(=O)C[NH2+]CC3CC3)CC2)cc1 ZINC000269287915 436654296 /nfs/dbraw/zinc/65/42/96/436654296.db2.gz JCTABGYZYNPJRL-UHFFFAOYSA-N 2 2 346.475 0.933 20 10 ECCDLP O=C(NCc1ccc(N2CC[NH2+]CC2)c(F)c1)[C@H]1CC(F)(F)C[NH2+]1 ZINC000368650031 438360026 /nfs/dbraw/zinc/36/00/26/438360026.db2.gz MQUTVMHWJGOVAG-CYBMUJFWSA-N 2 2 342.365 0.849 20 10 ECCDLP COc1ccc(N2CC[NH+](C[C@@H](O)C[N@@H+]3CCC[C@@H]3CO)CC2)cc1 ZINC000754021249 579411045 /nfs/dbraw/zinc/41/10/45/579411045.db2.gz YMDULAZWHYWROT-QZTJIDSGSA-N 2 2 349.475 0.635 20 10 ECCDLP COc1ccc(N2CC[NH+](C[C@@H](O)C[N@H+]3CCC[C@@H]3CO)CC2)cc1 ZINC000754021249 579411047 /nfs/dbraw/zinc/41/10/47/579411047.db2.gz YMDULAZWHYWROT-QZTJIDSGSA-N 2 2 349.475 0.635 20 10 ECCDLP COc1ccc(N2CC[NH+](C[C@H](O)C[N@H+](C)CCCO)CC2)cc1 ZINC000799363494 578664004 /nfs/dbraw/zinc/66/40/04/578664004.db2.gz FTHORTXSYPKARK-QGZVFWFLSA-N 2 2 337.464 0.492 20 10 ECCDLP COc1ccc(N2CC[NH+](C[C@H](O)C[N@@H+](C)CCCO)CC2)cc1 ZINC000799363494 578664005 /nfs/dbraw/zinc/66/40/05/578664005.db2.gz FTHORTXSYPKARK-QGZVFWFLSA-N 2 2 337.464 0.492 20 10 ECCDLP COc1ccc(N2CC[NH+](C[C@H](O)C[NH2+][C@H]3C[C@H](CO)C3)CC2)cc1 ZINC000905638305 586907800 /nfs/dbraw/zinc/90/78/00/586907800.db2.gz BYRHMEDYYJGVMR-JFIYKMOQSA-N 2 2 349.475 0.539 20 10 ECCDLP CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000846673430 589217900 /nfs/dbraw/zinc/21/79/00/589217900.db2.gz TXMFIOQVTVSQBQ-QGZVFWFLSA-N 2 2 334.464 0.761 20 10 ECCDLP C[NH+]1CCN(c2ccc(C[NH+]3CC(NS(C)(=O)=O)C3)cc2)CC1 ZINC000862485226 589942075 /nfs/dbraw/zinc/94/20/75/589942075.db2.gz JKKWCSMNOSVQKO-UHFFFAOYSA-N 2 2 338.477 0.172 20 10 ECCDLP COc1ccc(N2CC[NH+](C[C@H](O)C[NH2+][C@H]3C[C@H](OC)C3)CC2)cc1 ZINC000863587362 590025233 /nfs/dbraw/zinc/02/52/33/590025233.db2.gz WNCKRHBXPKVUSO-SZVBFZGTSA-N 2 2 349.475 0.945 20 10 ECCDLP CN(C)c1ccc([C@H]([NH3+])CNC(=O)/C=C\C[NH+]2CCOCC2)cc1 ZINC000876505885 590383630 /nfs/dbraw/zinc/38/36/30/590383630.db2.gz BYZVYZWTVRUFSA-CWIOURORSA-N 2 2 332.448 0.757 20 10 ECCDLP CN1CC[N@@H+](C)C[C@@H]1C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877031096 590435247 /nfs/dbraw/zinc/43/52/47/590435247.db2.gz MIXOONAVSLXGND-SFHVURJKSA-N 2 2 332.492 0.983 20 10 ECCDLP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH+](Cc2cc3c(cc2O)OCO3)CC1 ZINC000271195110 436679317 /nfs/dbraw/zinc/67/93/17/436679317.db2.gz SEDWCGPDIRQQES-CQSZACIVSA-N 2 2 347.415 0.859 20 10 ECCDLP C[N@H+]1CCC[C@@H]1C(=O)N1CC[NH+](Cc2cc3c(cc2O)OCO3)CC1 ZINC000271195110 436679318 /nfs/dbraw/zinc/67/93/18/436679318.db2.gz SEDWCGPDIRQQES-CQSZACIVSA-N 2 2 347.415 0.859 20 10 ECCDLP COc1ccc(N2CC[NH+](C[C@H](O)C[N@H+](C)C[C@H](C)O)CC2)cc1 ZINC000754048075 579411634 /nfs/dbraw/zinc/41/16/34/579411634.db2.gz DNDDMGYFWBTZBB-DOTOQJQBSA-N 2 2 337.464 0.491 20 10 ECCDLP COc1ccc(N2CC[NH+](C[C@H](O)C[N@@H+](C)C[C@H](C)O)CC2)cc1 ZINC000754048075 579411637 /nfs/dbraw/zinc/41/16/37/579411637.db2.gz DNDDMGYFWBTZBB-DOTOQJQBSA-N 2 2 337.464 0.491 20 10 ECCDLP Oc1cc2c(cc1C[N@@H+]1CC[C@H](C[NH+]3CCOCC3)C1)[C@@H](O)CO2 ZINC000768466596 579126321 /nfs/dbraw/zinc/12/63/21/579126321.db2.gz SRJUUVSXQGRXGH-DYVFJYSZSA-N 2 2 334.416 0.972 20 10 ECCDLP Oc1cc2c(cc1C[N@H+]1CC[C@H](C[NH+]3CCOCC3)C1)[C@@H](O)CO2 ZINC000768466596 579126323 /nfs/dbraw/zinc/12/63/23/579126323.db2.gz SRJUUVSXQGRXGH-DYVFJYSZSA-N 2 2 334.416 0.972 20 10 ECCDLP C[N@H+](CCS(C)(=O)=O)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775651075 579269562 /nfs/dbraw/zinc/26/95/62/579269562.db2.gz KHPDQVTVYGGNQY-UHFFFAOYSA-N 2 2 325.478 0.915 20 10 ECCDLP C[N@@H+](CCS(C)(=O)=O)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775651075 579269564 /nfs/dbraw/zinc/26/95/64/579269564.db2.gz KHPDQVTVYGGNQY-UHFFFAOYSA-N 2 2 325.478 0.915 20 10 ECCDLP COC(=O)COc1ccc([N@H+](C)C[C@@H]2CCCN(C(=O)C[NH3+])C2)cc1 ZINC000841021397 588976367 /nfs/dbraw/zinc/97/63/67/588976367.db2.gz WBHWIRRTCIVHLW-AWEZNQCLSA-N 2 2 349.431 0.872 20 10 ECCDLP COC(=O)COc1ccc([N@@H+](C)C[C@@H]2CCCN(C(=O)C[NH3+])C2)cc1 ZINC000841021397 588976368 /nfs/dbraw/zinc/97/63/68/588976368.db2.gz WBHWIRRTCIVHLW-AWEZNQCLSA-N 2 2 349.431 0.872 20 10 ECCDLP COc1ccc([NH+]2CCC(NC(=O)C(=O)N3CC[NH2+]CC3)CC2)cc1 ZINC000842185901 589018898 /nfs/dbraw/zinc/01/88/98/589018898.db2.gz AWOWKWBAZYCMTR-UHFFFAOYSA-N 2 2 346.431 0.212 20 10 ECCDLP COc1ccc(N2CC[NH+](C[C@@H](O)C[NH2+]C[C@@H]3CCN3C)CC2)cc1 ZINC000905547413 586898877 /nfs/dbraw/zinc/89/88/77/586898877.db2.gz WPCLXBDJMXDIEU-ROUUACIJSA-N 2 2 348.491 0.472 20 10 ECCDLP COc1ccc(N2CC[NH+](C[C@@H](O)CNC[C@@H]3CC[N@H+]3C)CC2)cc1 ZINC000905547413 586898881 /nfs/dbraw/zinc/89/88/81/586898881.db2.gz WPCLXBDJMXDIEU-ROUUACIJSA-N 2 2 348.491 0.472 20 10 ECCDLP COc1ccc(N2CC[NH+](C[C@@H](O)C[NH2+]C[C@@H]3CCOC3)CC2)cc1 ZINC000818976057 587463089 /nfs/dbraw/zinc/46/30/89/587463089.db2.gz RVNDSVZTWXKKRW-WMZOPIPTSA-N 2 2 349.475 0.804 20 10 ECCDLP COc1ccc(N2CC[NH+](C[C@H](O)C[NH2+][C@H]3CCOC3)CC2)cc1 ZINC000819187342 587471895 /nfs/dbraw/zinc/47/18/95/587471895.db2.gz IKAGZZGKCKPJFK-DOTOQJQBSA-N 2 2 335.448 0.557 20 10 ECCDLP C[NH2+]CCC[N@H+](C)CC(=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC000844226862 589104279 /nfs/dbraw/zinc/10/42/79/589104279.db2.gz RELLIPFIWSZTMQ-UHFFFAOYSA-N 2 2 334.464 0.885 20 10 ECCDLP C[NH2+]CCC[N@@H+](C)CC(=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC000844226862 589104281 /nfs/dbraw/zinc/10/42/81/589104281.db2.gz RELLIPFIWSZTMQ-UHFFFAOYSA-N 2 2 334.464 0.885 20 10 ECCDLP COc1c(O)c(C[NH2+]C[C@@H](O)C[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC000278627311 437330267 /nfs/dbraw/zinc/33/02/67/437330267.db2.gz GJWPJVBLXZFWBF-GFCCVEGCSA-N 2 2 325.365 0.855 20 10 ECCDLP C[C@H](O)C(=O)N1CC[NH+](Cc2ccc(N3CC[NH+](C)CC3)cc2)CC1 ZINC000775726768 579270492 /nfs/dbraw/zinc/27/04/92/579270492.db2.gz WDAVFEAHHBCJJN-INIZCTEOSA-N 2 2 346.475 0.463 20 10 ECCDLP COc1ccc(N2CC[NH+](C[C@H](O)C[N@@H+]3CC[C@H](CO)C3)CC2)cc1 ZINC000779221939 579314374 /nfs/dbraw/zinc/31/43/74/579314374.db2.gz DJQHVXIMTPTKAX-WMZOPIPTSA-N 2 2 349.475 0.492 20 10 ECCDLP COc1ccc(N2CC[NH+](C[C@H](O)C[N@H+]3CC[C@H](CO)C3)CC2)cc1 ZINC000779221939 579314375 /nfs/dbraw/zinc/31/43/75/579314375.db2.gz DJQHVXIMTPTKAX-WMZOPIPTSA-N 2 2 349.475 0.492 20 10 ECCDLP CN1CCCc2cc(CNC(=O)N3CC[N@H+](C)C[C@H]3C[NH3+])ccc21 ZINC000841757774 589000174 /nfs/dbraw/zinc/00/01/74/589000174.db2.gz AGUBWSQSNHGGJA-MRXNPFEDSA-N 2 2 331.464 0.853 20 10 ECCDLP CN1CCCc2cc(CNC(=O)N3CC[N@@H+](C)C[C@H]3C[NH3+])ccc21 ZINC000841757774 589000175 /nfs/dbraw/zinc/00/01/75/589000175.db2.gz AGUBWSQSNHGGJA-MRXNPFEDSA-N 2 2 331.464 0.853 20 10 ECCDLP COc1ccc(N2CC[NH+](C[C@@H](O)C[NH2+][C@H](C)CCO)CC2)cc1 ZINC000843083367 589049594 /nfs/dbraw/zinc/04/95/94/589049594.db2.gz PGKFLBRQAJZQSP-WBVHZDCISA-N 2 2 337.464 0.539 20 10 ECCDLP C[NH+](C)CC[C@H]([NH3+])C(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000846672035 589217957 /nfs/dbraw/zinc/21/79/57/589217957.db2.gz BBOVSJMYLRYCTM-HNNXBMFYSA-N 2 2 338.427 0.558 20 10 ECCDLP CC[N@@H+]1CCOC[C@@H]1C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000881852595 590481180 /nfs/dbraw/zinc/48/11/80/590481180.db2.gz XCFMTNPDHAGWQH-GOSISDBHSA-N 2 2 346.475 0.775 20 10 ECCDLP CC[N@H+]1CCOC[C@@H]1C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000881852595 590481181 /nfs/dbraw/zinc/48/11/81/590481181.db2.gz XCFMTNPDHAGWQH-GOSISDBHSA-N 2 2 346.475 0.775 20 10 ECCDLP COc1ccc(N2CC[NH+](C[C@@H](O)C[N@H+](C)[C@@H](C)CO)CC2)cc1 ZINC000754069985 579412254 /nfs/dbraw/zinc/41/22/54/579412254.db2.gz JDNCHUUCSADBJS-RDJZCZTQSA-N 2 2 337.464 0.491 20 10 ECCDLP COc1ccc(N2CC[NH+](C[C@@H](O)C[N@@H+](C)[C@@H](C)CO)CC2)cc1 ZINC000754069985 579412256 /nfs/dbraw/zinc/41/22/56/579412256.db2.gz JDNCHUUCSADBJS-RDJZCZTQSA-N 2 2 337.464 0.491 20 10 ECCDLP COc1cccc(O)c1C[NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000771965328 579198550 /nfs/dbraw/zinc/19/85/50/579198550.db2.gz XQTQEQXIRQGBNW-CQSZACIVSA-N 2 2 349.431 0.424 20 10 ECCDLP COc1ccc(N(C)CC[N@H+](C)CC(=O)N2CC[NH+](C)CC2)cc1 ZINC000844399493 589110470 /nfs/dbraw/zinc/11/04/70/589110470.db2.gz KSDAKEMFCCQNJU-UHFFFAOYSA-N 2 2 334.464 0.837 20 10 ECCDLP COc1ccc(N(C)CC[N@@H+](C)CC(=O)N2CC[NH+](C)CC2)cc1 ZINC000844399493 589110471 /nfs/dbraw/zinc/11/04/71/589110471.db2.gz KSDAKEMFCCQNJU-UHFFFAOYSA-N 2 2 334.464 0.837 20 10 ECCDLP