smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)C[C@@H](C)[N@H+](C)[C@@H](C[NH3+])c1ccc(Br)s1 ZINC000042577482 183286662 /nfs/dbraw/zinc/28/66/62/183286662.db2.gz FYSZFPBTGCABIX-MNOVXSKESA-N 2 2 319.312 3.877 10 0 DHAELP CC(C)C[C@@H](C)[N@@H+](C)[C@@H](C[NH3+])c1ccc(Br)s1 ZINC000042577482 183286665 /nfs/dbraw/zinc/28/66/65/183286665.db2.gz FYSZFPBTGCABIX-MNOVXSKESA-N 2 2 319.312 3.877 10 0 DHAELP CCCC[N@H+](C)[C@H](c1ccc(Br)cc1)[C@H]([NH3+])CC ZINC000042952510 183320948 /nfs/dbraw/zinc/32/09/48/183320948.db2.gz GQAZOVIRSJOFHQ-HUUCEWRRSA-N 2 2 313.283 3.959 10 0 DHAELP CCCC[N@@H+](C)[C@H](c1ccc(Br)cc1)[C@H]([NH3+])CC ZINC000042952510 183320950 /nfs/dbraw/zinc/32/09/50/183320950.db2.gz GQAZOVIRSJOFHQ-HUUCEWRRSA-N 2 2 313.283 3.959 10 0 DHAELP CC[C@H]([NH3+])[C@@H](c1ccc(Br)cc1)[N@H+](CC)C1CC1 ZINC000042952771 183321401 /nfs/dbraw/zinc/32/14/01/183321401.db2.gz CENHFVVZCLPKTI-LSDHHAIUSA-N 2 2 311.267 3.712 10 0 DHAELP CC[C@H]([NH3+])[C@@H](c1ccc(Br)cc1)[N@@H+](CC)C1CC1 ZINC000042952771 183321404 /nfs/dbraw/zinc/32/14/04/183321404.db2.gz CENHFVVZCLPKTI-LSDHHAIUSA-N 2 2 311.267 3.712 10 0 DHAELP CC[C@H]([NH3+])[C@H](c1cccc(Br)c1)[N@@H+]1CC[C@H](C)C1 ZINC000043021090 183329590 /nfs/dbraw/zinc/32/95/90/183329590.db2.gz JJZHDSVYZBGCBU-CQDKDKBSSA-N 2 2 311.267 3.569 10 0 DHAELP CC[C@H]([NH3+])[C@H](c1cccc(Br)c1)[N@H+]1CC[C@H](C)C1 ZINC000043021090 183329592 /nfs/dbraw/zinc/32/95/92/183329592.db2.gz JJZHDSVYZBGCBU-CQDKDKBSSA-N 2 2 311.267 3.569 10 0 DHAELP CC(C)(C)[NH2+]Cc1c[nH+]c(Cc2ccccc2Br)[nH]1 ZINC000062821546 184254381 /nfs/dbraw/zinc/25/43/81/184254381.db2.gz HDAXYILULKTPER-UHFFFAOYSA-N 2 2 322.250 3.651 10 0 DHAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2ccc(F)c(C)c2)C1 ZINC000122887793 337028017 /nfs/dbraw/zinc/02/80/17/337028017.db2.gz BTCFTHIGWDBKHF-MRXNPFEDSA-N 2 2 301.409 3.730 10 0 DHAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2ccc(F)c(C)c2)C1 ZINC000122887793 337028018 /nfs/dbraw/zinc/02/80/18/337028018.db2.gz BTCFTHIGWDBKHF-MRXNPFEDSA-N 2 2 301.409 3.730 10 0 DHAELP COc1cccc([C@@H](C)[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)c1 ZINC000175620217 337148506 /nfs/dbraw/zinc/14/85/06/337148506.db2.gz TWKHLMWYTBQMAT-HZPDHXFCSA-N 2 2 311.429 3.585 10 0 DHAELP COc1cccc([C@@H](C)[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)c1 ZINC000175620217 337148507 /nfs/dbraw/zinc/14/85/07/337148507.db2.gz TWKHLMWYTBQMAT-HZPDHXFCSA-N 2 2 311.429 3.585 10 0 DHAELP C[C@H]([NH3+])c1ccccc1-c1c[nH+]cn1CCc1ccc(F)cc1 ZINC000584595195 337373940 /nfs/dbraw/zinc/37/39/40/337373940.db2.gz NSSOKDHYSWMURR-AWEZNQCLSA-N 2 2 309.388 3.952 10 0 DHAELP C[C@@H]1C[C@@H]([NH2+][C@H]2CC(C)(C)Oc3ccccc32)C[N@@H+]1C1CC1 ZINC000246841465 341357623 /nfs/dbraw/zinc/35/76/23/341357623.db2.gz BONASZHZPWLBLR-CPUCHLNUSA-N 2 2 300.446 3.504 10 0 DHAELP C[C@@H]1C[C@@H]([NH2+][C@H]2CC(C)(C)Oc3ccccc32)C[N@H+]1C1CC1 ZINC000246841465 341357624 /nfs/dbraw/zinc/35/76/24/341357624.db2.gz BONASZHZPWLBLR-CPUCHLNUSA-N 2 2 300.446 3.504 10 0 DHAELP COc1ccc([C@H](C)[C@H](C)[NH2+][C@@H]2C[N@@H+](C(C)C)C[C@@H]2C)cc1 ZINC000246959684 341359214 /nfs/dbraw/zinc/35/92/14/341359214.db2.gz HTSLGHBNWDUJFS-CYJAXWMASA-N 2 2 304.478 3.506 10 0 DHAELP COc1ccc([C@H](C)[C@H](C)[NH2+][C@@H]2C[N@H+](C(C)C)C[C@@H]2C)cc1 ZINC000246959684 341359215 /nfs/dbraw/zinc/35/92/15/341359215.db2.gz HTSLGHBNWDUJFS-CYJAXWMASA-N 2 2 304.478 3.506 10 0 DHAELP CCC[C@H](C(=O)Nc1cccc(Oc2cc[nH+]cc2)c1)[NH+](C)C ZINC000162113345 520989468 /nfs/dbraw/zinc/98/94/68/520989468.db2.gz BRPBHLFUJICLHU-QGZVFWFLSA-N 2 2 313.401 3.543 10 0 DHAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](Cc2ccccc2Cl)C1 ZINC000106217672 522598087 /nfs/dbraw/zinc/59/80/87/522598087.db2.gz SJXSJQWQDXMXMF-HNNXBMFYSA-N 2 2 303.837 3.936 10 0 DHAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](Cc2ccccc2Cl)C1 ZINC000106217672 522598096 /nfs/dbraw/zinc/59/80/96/522598096.db2.gz SJXSJQWQDXMXMF-HNNXBMFYSA-N 2 2 303.837 3.936 10 0 DHAELP Cc1cc(NCC2CC[NH2+]CC2)nc(-c2cccc(Cl)c2)[nH+]1 ZINC000070456045 525267696 /nfs/dbraw/zinc/26/76/96/525267696.db2.gz BHFGVLZLBDSBKG-UHFFFAOYSA-N 2 2 316.836 3.517 10 0 DHAELP C[NH2+]CCc1c[nH]c(CCC(c2ccccc2)c2ccccc2)[nH+]1 ZINC000002003474 560185368 /nfs/dbraw/zinc/18/53/68/560185368.db2.gz YMVWDVNGNLXSKR-UHFFFAOYSA-N 2 2 319.452 3.936 10 0 in-vitro DHAELP C[NH2+]CCc1c[nH+]c(CCC(c2ccccc2)c2ccccc2)[nH]1 ZINC000002003474 560185369 /nfs/dbraw/zinc/18/53/69/560185369.db2.gz YMVWDVNGNLXSKR-UHFFFAOYSA-N 2 2 319.452 3.936 10 0 in-vitro DHAELP CCC[NH+](CCC)[C@@H](C[NH3+])c1cc(Br)ccc1F ZINC000019422210 182122646 /nfs/dbraw/zinc/12/26/46/182122646.db2.gz LIEWSVFMOGIEOP-AWEZNQCLSA-N 2 2 317.246 3.710 10 0 DHAELP CCC[NH+](CCC)[C@H](C[NH3+])c1cc(Br)ccc1F ZINC000019422212 182122713 /nfs/dbraw/zinc/12/27/13/182122713.db2.gz LIEWSVFMOGIEOP-CQSZACIVSA-N 2 2 317.246 3.710 10 0 DHAELP CCCOc1c(Cl)cc(Cl)cc1C[NH2+]CCC[NH+](C)C ZINC000020967952 182257370 /nfs/dbraw/zinc/25/73/70/182257370.db2.gz FAIZCKAAYWVJPQ-UHFFFAOYSA-N 2 2 319.276 3.824 10 0 DHAELP CC[N@H+](CC(C)C)[C@@H](c1ccccc1Br)[C@@H](C)[NH3+] ZINC000043091357 183336258 /nfs/dbraw/zinc/33/62/58/183336258.db2.gz YAEYPDVEFDHFBY-IUODEOHRSA-N 2 2 313.283 3.815 10 0 DHAELP CC[N@@H+](CC(C)C)[C@@H](c1ccccc1Br)[C@@H](C)[NH3+] ZINC000043091357 183336260 /nfs/dbraw/zinc/33/62/60/183336260.db2.gz YAEYPDVEFDHFBY-IUODEOHRSA-N 2 2 313.283 3.815 10 0 DHAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](Cc2cccc3cccnc32)C1 ZINC000105897151 194162356 /nfs/dbraw/zinc/16/23/56/194162356.db2.gz VCSXLZMXCJWGPR-SFHVURJKSA-N 2 2 320.440 3.831 10 0 DHAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](Cc2cccc3cccnc32)C1 ZINC000105897151 194162359 /nfs/dbraw/zinc/16/23/59/194162359.db2.gz VCSXLZMXCJWGPR-SFHVURJKSA-N 2 2 320.440 3.831 10 0 DHAELP C[C@@H]1C[C@H]([NH2+]C2CCN(c3cccc[nH+]3)CC2)CC(C)(C)C1 ZINC000121362059 132154759 /nfs/dbraw/zinc/15/47/59/132154759.db2.gz ZPAPJXBIVKNGSO-WBVHZDCISA-N 2 2 301.478 3.855 10 0 DHAELP Fc1ccc(Cl)c(C[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)c1 ZINC000189028660 333061152 /nfs/dbraw/zinc/06/11/52/333061152.db2.gz PETPVGYLXNEZKC-ZDUSSCGKSA-N 2 2 319.811 3.808 10 0 DHAELP Fc1ccc(Cl)c(C[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)c1 ZINC000189028660 333061154 /nfs/dbraw/zinc/06/11/54/333061154.db2.gz PETPVGYLXNEZKC-ZDUSSCGKSA-N 2 2 319.811 3.808 10 0 DHAELP CCSc1cccc(C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2C)c1 ZINC000186256253 337254959 /nfs/dbraw/zinc/25/49/59/337254959.db2.gz FKVOQPHBXLONJC-KRWDZBQOSA-N 2 2 315.486 3.968 10 0 DHAELP CC[N@@H+]1CCC[C@H]([NH2+][C@H](C)[C@H](C)c2nc3ccccc3s2)C1 ZINC000247010258 341359872 /nfs/dbraw/zinc/35/98/72/341359872.db2.gz LDLFFURGAFXKAU-ZNMIVQPWSA-N 2 2 317.502 3.862 10 0 DHAELP CC[N@H+]1CCC[C@H]([NH2+][C@H](C)[C@H](C)c2nc3ccccc3s2)C1 ZINC000247010258 341359873 /nfs/dbraw/zinc/35/98/73/341359873.db2.gz LDLFFURGAFXKAU-ZNMIVQPWSA-N 2 2 317.502 3.862 10 0 DHAELP Cc1cccc(NC[C@@H]2CC[N@H+](Cc3cccc(F)c3F)C2)[nH+]1 ZINC000103474018 524680548 /nfs/dbraw/zinc/68/05/48/524680548.db2.gz DCWOQRLYORJBRB-AWEZNQCLSA-N 2 2 317.383 3.602 10 0 DHAELP Cc1cccc(NC[C@@H]2CC[N@@H+](Cc3cccc(F)c3F)C2)[nH+]1 ZINC000103474018 524680556 /nfs/dbraw/zinc/68/05/56/524680556.db2.gz DCWOQRLYORJBRB-AWEZNQCLSA-N 2 2 317.383 3.602 10 0 DHAELP CCOc1ccc2ccccc2c1C[NH2+]CCCn1cc[nH+]c1 ZINC000010314074 563356157 /nfs/dbraw/zinc/35/61/57/563356157.db2.gz STPZJCKSSMUILT-UHFFFAOYSA-N 2 2 309.413 3.615 10 0 DHAELP c1cn(CCC[NH2+]Cc2ccc(OCc3ccccc3)cc2)c[nH+]1 ZINC000004155456 181079161 /nfs/dbraw/zinc/07/91/61/181079161.db2.gz PMZQADZMKRQCHH-UHFFFAOYSA-N 2 2 321.424 3.642 10 0 DHAELP CCc1[nH+]c(-c2ccc(C)cc2)nc(NC[C@H]2CCC[NH2+]C2)c1C ZINC000073684763 191341651 /nfs/dbraw/zinc/34/16/51/191341651.db2.gz VWYOQCHTZACXOW-INIZCTEOSA-N 2 2 324.472 3.734 10 0 DHAELP C[N@H+](Cc1cc(Br)cs1)C1(C[NH3+])CCCCC1 ZINC000042398623 183264531 /nfs/dbraw/zinc/26/45/31/183264531.db2.gz IAMSRMGKIVUKQK-UHFFFAOYSA-N 2 2 317.296 3.604 10 0 DHAELP C[N@@H+](Cc1cc(Br)cs1)C1(C[NH3+])CCCCC1 ZINC000042398623 183264534 /nfs/dbraw/zinc/26/45/34/183264534.db2.gz IAMSRMGKIVUKQK-UHFFFAOYSA-N 2 2 317.296 3.604 10 0 DHAELP CC(C)C[N@H+]([C@@H](C[NH3+])c1cc(Br)cs1)C1CC1 ZINC000042555362 183283962 /nfs/dbraw/zinc/28/39/62/183283962.db2.gz CEGUHNXECLOEON-LBPRGKRZSA-N 2 2 317.296 3.631 10 0 DHAELP CC(C)C[N@@H+]([C@@H](C[NH3+])c1cc(Br)cs1)C1CC1 ZINC000042555362 183283964 /nfs/dbraw/zinc/28/39/64/183283964.db2.gz CEGUHNXECLOEON-LBPRGKRZSA-N 2 2 317.296 3.631 10 0 DHAELP CC(C)C[N@H+]([C@@H](C[NH3+])c1cccc(Br)c1)C1CC1 ZINC000042555132 183284060 /nfs/dbraw/zinc/28/40/60/183284060.db2.gz CFQJLJWBGZTIBV-HNNXBMFYSA-N 2 2 311.267 3.569 10 0 DHAELP CC(C)C[N@@H+]([C@@H](C[NH3+])c1cccc(Br)c1)C1CC1 ZINC000042555132 183284062 /nfs/dbraw/zinc/28/40/62/183284062.db2.gz CFQJLJWBGZTIBV-HNNXBMFYSA-N 2 2 311.267 3.569 10 0 DHAELP CCCC[N@H+](C)[C@@H](c1ccc(Br)cc1)[C@H]([NH3+])CC ZINC000042952507 183320851 /nfs/dbraw/zinc/32/08/51/183320851.db2.gz GQAZOVIRSJOFHQ-CABCVRRESA-N 2 2 313.283 3.959 10 0 DHAELP CCCC[N@@H+](C)[C@@H](c1ccc(Br)cc1)[C@H]([NH3+])CC ZINC000042952507 183320855 /nfs/dbraw/zinc/32/08/55/183320855.db2.gz GQAZOVIRSJOFHQ-CABCVRRESA-N 2 2 313.283 3.959 10 0 DHAELP CC[C@H]([NH3+])[C@H](c1ccc(Br)cc1)[N@H+](C)CC1CC1 ZINC000042954048 183321293 /nfs/dbraw/zinc/32/12/93/183321293.db2.gz DAQKWBGQDUDPAR-GJZGRUSLSA-N 2 2 311.267 3.569 10 0 DHAELP CC[C@H]([NH3+])[C@H](c1ccc(Br)cc1)[N@@H+](C)CC1CC1 ZINC000042954048 183321296 /nfs/dbraw/zinc/32/12/96/183321296.db2.gz DAQKWBGQDUDPAR-GJZGRUSLSA-N 2 2 311.267 3.569 10 0 DHAELP CC(C)CC[N@H+](C)[C@H](c1ccc(Br)cc1)[C@@H](C)[NH3+] ZINC000042954348 183322326 /nfs/dbraw/zinc/32/23/26/183322326.db2.gz HJPQRQLGEPHQPZ-DOMZBBRYSA-N 2 2 313.283 3.815 10 0 DHAELP CC(C)CC[N@@H+](C)[C@H](c1ccc(Br)cc1)[C@@H](C)[NH3+] ZINC000042954348 183322329 /nfs/dbraw/zinc/32/23/29/183322329.db2.gz HJPQRQLGEPHQPZ-DOMZBBRYSA-N 2 2 313.283 3.815 10 0 DHAELP C[C@H]([NH3+])[C@@H](c1cccc(Br)c1)[NH+]1CCCCCC1 ZINC000043019860 183328829 /nfs/dbraw/zinc/32/88/29/183328829.db2.gz LOJZGANNOJOBFU-WFASDCNBSA-N 2 2 311.267 3.713 10 0 DHAELP CC[C@H]([NH3+])[C@H](c1cccc(Br)c1)[N@H+](C)CC1CC1 ZINC000043021050 183329620 /nfs/dbraw/zinc/32/96/20/183329620.db2.gz GDRNMRKDUUXWMP-GJZGRUSLSA-N 2 2 311.267 3.569 10 0 DHAELP CC[C@H]([NH3+])[C@H](c1cccc(Br)c1)[N@@H+](C)CC1CC1 ZINC000043021050 183329621 /nfs/dbraw/zinc/32/96/21/183329621.db2.gz GDRNMRKDUUXWMP-GJZGRUSLSA-N 2 2 311.267 3.569 10 0 DHAELP CC(C)[C@H](C)[N@H+](C)[C@@H](c1ccccc1Br)[C@@H](C)[NH3+] ZINC000043091736 183335638 /nfs/dbraw/zinc/33/56/38/183335638.db2.gz DWQPDTDJLOSKEZ-TYNCELHUSA-N 2 2 313.283 3.814 10 0 DHAELP CC(C)[C@H](C)[N@@H+](C)[C@@H](c1ccccc1Br)[C@@H](C)[NH3+] ZINC000043091736 183335641 /nfs/dbraw/zinc/33/56/41/183335641.db2.gz DWQPDTDJLOSKEZ-TYNCELHUSA-N 2 2 313.283 3.814 10 0 DHAELP CCC(CC)[N@H+](C)[C@@H](c1ccccc1Br)[C@@H](C)[NH3+] ZINC000043091750 183335825 /nfs/dbraw/zinc/33/58/25/183335825.db2.gz XRGMCVCEDLUMHW-IAQYHMDHSA-N 2 2 313.283 3.958 10 0 DHAELP CCC(CC)[N@@H+](C)[C@@H](c1ccccc1Br)[C@@H](C)[NH3+] ZINC000043091750 183335828 /nfs/dbraw/zinc/33/58/28/183335828.db2.gz XRGMCVCEDLUMHW-IAQYHMDHSA-N 2 2 313.283 3.958 10 0 DHAELP C[C@H]([NH3+])[C@H](c1ccccc1Br)[NH+]1CCCCCC1 ZINC000043090477 183335845 /nfs/dbraw/zinc/33/58/45/183335845.db2.gz BSDPHXQRYOIWOU-SWLSCSKDSA-N 2 2 311.267 3.713 10 0 DHAELP C[C@@H]([NH3+])[C@H](c1ccccc1Br)[N@@H+]1CCC[C@@H](C)C1 ZINC000043090454 183335945 /nfs/dbraw/zinc/33/59/45/183335945.db2.gz RLCVGODYMMEFTL-LALPHHSUSA-N 2 2 311.267 3.569 10 0 DHAELP C[C@@H]([NH3+])[C@H](c1ccccc1Br)[N@H+]1CCC[C@@H](C)C1 ZINC000043090454 183335948 /nfs/dbraw/zinc/33/59/48/183335948.db2.gz RLCVGODYMMEFTL-LALPHHSUSA-N 2 2 311.267 3.569 10 0 DHAELP CC[C@H]([NH3+])[C@@H](c1ccccc1Br)[N@@H+]1CC[C@H](C)C1 ZINC000043092482 183336041 /nfs/dbraw/zinc/33/60/41/183336041.db2.gz HJUYUVIZFXZLEA-TUKIKUTGSA-N 2 2 311.267 3.569 10 0 DHAELP CC[C@H]([NH3+])[C@@H](c1ccccc1Br)[N@H+]1CC[C@H](C)C1 ZINC000043092482 183336044 /nfs/dbraw/zinc/33/60/44/183336044.db2.gz HJUYUVIZFXZLEA-TUKIKUTGSA-N 2 2 311.267 3.569 10 0 DHAELP CCc1cc(N[C@@H](C)c2cccc(-n3cc[nH+]c3)c2)nc(C)[nH+]1 ZINC000302127336 336349840 /nfs/dbraw/zinc/34/98/40/336349840.db2.gz ZYOFZPXXCLMKFA-ZDUSSCGKSA-N 2 2 307.401 3.706 10 0 DHAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2ccc(F)cc2C)C1 ZINC000122904210 337030173 /nfs/dbraw/zinc/03/01/73/337030173.db2.gz CUDZIKLHBLFECG-QGZVFWFLSA-N 2 2 301.409 3.730 10 0 DHAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2C)C1 ZINC000122904210 337030174 /nfs/dbraw/zinc/03/01/74/337030174.db2.gz CUDZIKLHBLFECG-QGZVFWFLSA-N 2 2 301.409 3.730 10 0 DHAELP C[C@H]([NH2+]CCCc1[nH+]c2ccccc2n1C)C1CCSCC1 ZINC000187348632 337264239 /nfs/dbraw/zinc/26/42/39/337264239.db2.gz WZNNYIKUQOAWAP-AWEZNQCLSA-N 2 2 317.502 3.627 10 0 DHAELP C[C@@H]([NH2+][C@@H](C)c1cccc(O)c1)c1cccc(-n2cc[nH+]c2)c1 ZINC000194904722 338776364 /nfs/dbraw/zinc/77/63/64/338776364.db2.gz XKTDWBWULSZPOK-CABCVRRESA-N 2 2 307.397 3.990 10 0 DHAELP C[C@@H]([NH2+]CCc1c[nH+]cn1C)c1c(Cl)ccc(F)c1Cl ZINC000401763405 340182756 /nfs/dbraw/zinc/18/27/56/340182756.db2.gz DOJXWBMHWDARSA-SECBINFHSA-N 2 2 316.207 3.759 10 0 DHAELP CC[N@@H+]1CCC[C@H]([NH2+][C@H]2CCc3c2cccc3Br)C1 ZINC000300414117 340225408 /nfs/dbraw/zinc/22/54/08/340225408.db2.gz HIEWWWXOAWMMDU-LRDDRELGSA-N 2 2 323.278 3.510 10 0 DHAELP CC[N@H+]1CCC[C@H]([NH2+][C@H]2CCc3c2cccc3Br)C1 ZINC000300414117 340225409 /nfs/dbraw/zinc/22/54/09/340225409.db2.gz HIEWWWXOAWMMDU-LRDDRELGSA-N 2 2 323.278 3.510 10 0 DHAELP Cc1cccc([C@H](C)[N@@H+]2CC[C@@H](C[NH+](C)Cc3cccnc3)C2)c1 ZINC000248656023 341383044 /nfs/dbraw/zinc/38/30/44/341383044.db2.gz QYUVLFXJEGIXIZ-ICSRJNTNSA-N 2 2 323.484 3.905 10 0 DHAELP Cc1cccc([C@H](C)[N@H+]2CC[C@@H](C[NH+](C)Cc3cccnc3)C2)c1 ZINC000248656023 341383045 /nfs/dbraw/zinc/38/30/45/341383045.db2.gz QYUVLFXJEGIXIZ-ICSRJNTNSA-N 2 2 323.484 3.905 10 0 DHAELP Cc1cccc([C@H](C)[NH+]2CC[C@@H](C[N@H+](C)Cc3cccnc3)C2)c1 ZINC000248656023 341383046 /nfs/dbraw/zinc/38/30/46/341383046.db2.gz QYUVLFXJEGIXIZ-ICSRJNTNSA-N 2 2 323.484 3.905 10 0 DHAELP Cc1cccc([C@H](C)[NH+]2CC[C@@H](C[N@@H+](C)Cc3cccnc3)C2)c1 ZINC000248656023 341383047 /nfs/dbraw/zinc/38/30/47/341383047.db2.gz QYUVLFXJEGIXIZ-ICSRJNTNSA-N 2 2 323.484 3.905 10 0 DHAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2csc(C3CC3)n2)C1 ZINC000163071790 522594169 /nfs/dbraw/zinc/59/41/69/522594169.db2.gz LOGMLBTWFOPGPJ-OAHLLOKOSA-N 2 2 316.474 3.617 10 0 DHAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2csc(C3CC3)n2)C1 ZINC000163071790 522594180 /nfs/dbraw/zinc/59/41/80/522594180.db2.gz LOGMLBTWFOPGPJ-OAHLLOKOSA-N 2 2 316.474 3.617 10 0 DHAELP C[C@@H]([NH2+][C@@H](C)c1nc(C2CC2)no1)c1cccc(-n2cc[nH+]c2)c1 ZINC000180661876 525621726 /nfs/dbraw/zinc/62/17/26/525621726.db2.gz NHVKPGQVJIFFAT-OLZOCXBDSA-N 2 2 323.400 3.545 10 0 DHAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1F ZINC000189068205 527449311 /nfs/dbraw/zinc/44/93/11/527449311.db2.gz DRAVJRRXWGOPQK-OAHLLOKOSA-N 2 2 307.800 3.649 10 0 DHAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1ccc(Cl)cc1F ZINC000189068205 527449317 /nfs/dbraw/zinc/44/93/17/527449317.db2.gz DRAVJRRXWGOPQK-OAHLLOKOSA-N 2 2 307.800 3.649 10 0 DHAELP Cc1ccc(-c2nc(N3CCC(C[NH3+])CC3)cc(C(C)C)[nH+]2)cc1 ZINC000070456090 190896540 /nfs/dbraw/zinc/89/65/40/190896540.db2.gz DCYKNJJJQXNKKC-UHFFFAOYSA-N 2 2 324.472 3.751 10 0 DHAELP CCC[NH+](CCC)[C@@H](C[NH3+])c1ccc(OC(F)(F)F)cc1 ZINC000019995013 182175521 /nfs/dbraw/zinc/17/55/21/182175521.db2.gz VBPOVIUUSKELHP-AWEZNQCLSA-N 2 2 304.356 3.707 10 0 DHAELP C[N@H+](Cc1csc(Br)c1)[C@H]1CCCCC[C@@H]1[NH3+] ZINC000042363402 183259540 /nfs/dbraw/zinc/25/95/40/183259540.db2.gz KCYLUZJLKIWXSA-RYUDHWBXSA-N 2 2 317.296 3.602 10 0 DHAELP C[N@@H+](Cc1csc(Br)c1)[C@H]1CCCCC[C@@H]1[NH3+] ZINC000042363402 183259542 /nfs/dbraw/zinc/25/95/42/183259542.db2.gz KCYLUZJLKIWXSA-RYUDHWBXSA-N 2 2 317.296 3.602 10 0 DHAELP C[N@H+](CCC[NH2+]C(C)(C)C)Cc1cc(Br)cs1 ZINC000042400313 183264165 /nfs/dbraw/zinc/26/41/65/183264165.db2.gz YDXKOERVHVLRPF-UHFFFAOYSA-N 2 2 319.312 3.721 10 0 DHAELP C[N@@H+](CCC[NH2+]C(C)(C)C)Cc1cc(Br)cs1 ZINC000042400313 183264168 /nfs/dbraw/zinc/26/41/68/183264168.db2.gz YDXKOERVHVLRPF-UHFFFAOYSA-N 2 2 319.312 3.721 10 0 DHAELP C[C@@H]([NH2+][C@@H](C)C[NH+]1CCCC1)c1cccc(Br)c1 ZINC000042597309 183289636 /nfs/dbraw/zinc/28/96/36/183289636.db2.gz VNMNZPXISAUVLZ-QWHCGFSZSA-N 2 2 311.267 3.584 10 0 DHAELP C[C@H]([N@H+](C)[C@@H](C[NH3+])c1ccc(Br)s1)C(C)(C)C ZINC000042741957 183304572 /nfs/dbraw/zinc/30/45/72/183304572.db2.gz MGMICVKBWNCQHM-UWVGGRQHSA-N 2 2 319.312 3.877 10 0 DHAELP C[C@H]([N@@H+](C)[C@@H](C[NH3+])c1ccc(Br)s1)C(C)(C)C ZINC000042741957 183304575 /nfs/dbraw/zinc/30/45/75/183304575.db2.gz MGMICVKBWNCQHM-UWVGGRQHSA-N 2 2 319.312 3.877 10 0 DHAELP Cc1ncsc1C[N@H+](C)C[C@H]1CC[NH+](CCC(C)(C)C)C1 ZINC000188648223 333051275 /nfs/dbraw/zinc/05/12/75/333051275.db2.gz USPMXLYZHRHEKM-OAHLLOKOSA-N 2 2 309.523 3.641 10 0 DHAELP Cc1ncsc1C[N@@H+](C)C[C@H]1CC[NH+](CCC(C)(C)C)C1 ZINC000188648223 333051277 /nfs/dbraw/zinc/05/12/77/333051277.db2.gz USPMXLYZHRHEKM-OAHLLOKOSA-N 2 2 309.523 3.641 10 0 DHAELP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@H+](CCC(C)(C)C)C1 ZINC000188648223 333051279 /nfs/dbraw/zinc/05/12/79/333051279.db2.gz USPMXLYZHRHEKM-OAHLLOKOSA-N 2 2 309.523 3.641 10 0 DHAELP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@@H+](CCC(C)(C)C)C1 ZINC000188648223 333051280 /nfs/dbraw/zinc/05/12/80/333051280.db2.gz USPMXLYZHRHEKM-OAHLLOKOSA-N 2 2 309.523 3.641 10 0 DHAELP Cc1cccc2c(N3CC[C@H](C)[C@@H](n4cc[nH+]c4)C3)cc[nH+]c12 ZINC000301663730 336321804 /nfs/dbraw/zinc/32/18/04/336321804.db2.gz KQXVIGWMDQJTGL-KSSFIOAISA-N 2 2 306.413 3.827 10 0 DHAELP C[C@@H]1C[C@H](CNc2[nH]c3ccccc3[nH+]2)C[N@@H+]1Cc1ccccc1 ZINC000301884322 336336094 /nfs/dbraw/zinc/33/60/94/336336094.db2.gz NUKUWUVVKFEEON-NVXWUHKLSA-N 2 2 320.440 3.885 10 0 DHAELP C[C@@H]1C[C@H](CNc2[nH]c3ccccc3[nH+]2)C[N@H+]1Cc1ccccc1 ZINC000301884322 336336095 /nfs/dbraw/zinc/33/60/95/336336095.db2.gz NUKUWUVVKFEEON-NVXWUHKLSA-N 2 2 320.440 3.885 10 0 DHAELP C[C@H]1C[C@H](CNc2[nH]c3ccccc3[nH+]2)C[N@@H+]1Cc1ccccc1 ZINC000301884321 336336145 /nfs/dbraw/zinc/33/61/45/336336145.db2.gz NUKUWUVVKFEEON-DOTOQJQBSA-N 2 2 320.440 3.885 10 0 DHAELP C[C@H]1C[C@H](CNc2[nH]c3ccccc3[nH+]2)C[N@H+]1Cc1ccccc1 ZINC000301884321 336336146 /nfs/dbraw/zinc/33/61/46/336336146.db2.gz NUKUWUVVKFEEON-DOTOQJQBSA-N 2 2 320.440 3.885 10 0 DHAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1ccc(C(F)(F)F)cc1 ZINC000178313538 337163777 /nfs/dbraw/zinc/16/37/77/337163777.db2.gz RJYRYSWNBFKJRG-INIZCTEOSA-N 2 2 323.362 3.875 10 0 DHAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1ccc(C(F)(F)F)cc1 ZINC000178313538 337163778 /nfs/dbraw/zinc/16/37/78/337163778.db2.gz RJYRYSWNBFKJRG-INIZCTEOSA-N 2 2 323.362 3.875 10 0 DHAELP C[C@@H](c1ccc(F)c(F)c1)[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000246132516 341328386 /nfs/dbraw/zinc/32/83/86/341328386.db2.gz MPCRPTIMABAHPZ-KBPBESRZSA-N 2 2 317.383 3.855 10 0 DHAELP C[C@@H](c1ccc(F)c(F)c1)[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000246132516 341328387 /nfs/dbraw/zinc/32/83/87/341328387.db2.gz MPCRPTIMABAHPZ-KBPBESRZSA-N 2 2 317.383 3.855 10 0 DHAELP CCOc1ccccc1C[N@@H+]1CCC[C@H](n2cc[nH+]c2CC)C1 ZINC000106217519 521483104 /nfs/dbraw/zinc/48/31/04/521483104.db2.gz PKPXTBUJCHZCMJ-KRWDZBQOSA-N 2 2 313.445 3.681 10 0 DHAELP CCOc1ccccc1C[N@H+]1CCC[C@H](n2cc[nH+]c2CC)C1 ZINC000106217519 521483110 /nfs/dbraw/zinc/48/31/10/521483110.db2.gz PKPXTBUJCHZCMJ-KRWDZBQOSA-N 2 2 313.445 3.681 10 0 DHAELP CCCc1[nH+]c2cc(C(F)(F)F)ccc2n1CCC[NH+](C)C ZINC000040403991 183062074 /nfs/dbraw/zinc/06/20/74/183062074.db2.gz NONYLZZYOLPJRB-UHFFFAOYSA-N 2 2 313.367 3.959 10 0 DHAELP CCCC[N@H+]([C@H](C[NH3+])c1ccc(Br)s1)C1CC1 ZINC000042317759 183253124 /nfs/dbraw/zinc/25/31/24/183253124.db2.gz MORCWWKWKFVAMC-LLVKDONJSA-N 2 2 317.296 3.775 10 0 DHAELP CCCC[N@@H+]([C@H](C[NH3+])c1ccc(Br)s1)C1CC1 ZINC000042317759 183253126 /nfs/dbraw/zinc/25/31/26/183253126.db2.gz MORCWWKWKFVAMC-LLVKDONJSA-N 2 2 317.296 3.775 10 0 DHAELP CC(C)C[N@H+]([C@@H](C[NH3+])c1ccc(Br)cc1)C1CC1 ZINC000042555915 183284728 /nfs/dbraw/zinc/28/47/28/183284728.db2.gz MCKZAHZXPGESAM-HNNXBMFYSA-N 2 2 311.267 3.569 10 0 DHAELP CC(C)C[N@@H+]([C@@H](C[NH3+])c1ccc(Br)cc1)C1CC1 ZINC000042555915 183284731 /nfs/dbraw/zinc/28/47/31/183284731.db2.gz MCKZAHZXPGESAM-HNNXBMFYSA-N 2 2 311.267 3.569 10 0 DHAELP CC(C)[N@H+](CC1CC1)[C@@H](C[NH3+])c1cccc(Br)c1 ZINC000042580334 183286394 /nfs/dbraw/zinc/28/63/94/183286394.db2.gz ZUUABJADFDQRNU-HNNXBMFYSA-N 2 2 311.267 3.569 10 0 DHAELP CC(C)[N@@H+](CC1CC1)[C@@H](C[NH3+])c1cccc(Br)c1 ZINC000042580334 183286397 /nfs/dbraw/zinc/28/63/97/183286397.db2.gz ZUUABJADFDQRNU-HNNXBMFYSA-N 2 2 311.267 3.569 10 0 DHAELP CC[C@@H]([NH3+])[C@H](c1cccc(Br)c1)[N@H+](CC)C(C)C ZINC000043020327 183328844 /nfs/dbraw/zinc/32/88/44/183328844.db2.gz BARSZRFBCOGEMA-CABCVRRESA-N 2 2 313.283 3.958 10 0 DHAELP CC[C@@H]([NH3+])[C@H](c1cccc(Br)c1)[N@@H+](CC)C(C)C ZINC000043020327 183328846 /nfs/dbraw/zinc/32/88/46/183328846.db2.gz BARSZRFBCOGEMA-CABCVRRESA-N 2 2 313.283 3.958 10 0 DHAELP CC[C@H]([NH3+])[C@@H](c1ccccc1Br)[N@H+](C)CC(C)C ZINC000043091333 183335685 /nfs/dbraw/zinc/33/56/85/183335685.db2.gz YVSQSJVYLFFSKW-LSDHHAIUSA-N 2 2 313.283 3.815 10 0 DHAELP CC[C@H]([NH3+])[C@@H](c1ccccc1Br)[N@@H+](C)CC(C)C ZINC000043091333 183335686 /nfs/dbraw/zinc/33/56/86/183335686.db2.gz YVSQSJVYLFFSKW-LSDHHAIUSA-N 2 2 313.283 3.815 10 0 DHAELP C[C@@H]([NH3+])[C@H](c1ccccc1Br)[N@H+](C)C1CCCC1 ZINC000043091265 183335715 /nfs/dbraw/zinc/33/57/15/183335715.db2.gz NWQPBUXFCIDTLM-IAQYHMDHSA-N 2 2 311.267 3.712 10 0 DHAELP C[C@@H]([NH3+])[C@H](c1ccccc1Br)[N@@H+](C)C1CCCC1 ZINC000043091265 183335716 /nfs/dbraw/zinc/33/57/16/183335716.db2.gz NWQPBUXFCIDTLM-IAQYHMDHSA-N 2 2 311.267 3.712 10 0 DHAELP CCC[NH+](CCC)[C@@H](c1ccccc1Br)[C@@H](C)[NH3+] ZINC000043090609 183335855 /nfs/dbraw/zinc/33/58/55/183335855.db2.gz KWFQZZOCBBMPRK-IUODEOHRSA-N 2 2 313.283 3.959 10 0 DHAELP CC[C@@H]([NH3+])[C@H](c1ccccc1Br)[N@H+](C)CC(C)C ZINC000043091342 183335897 /nfs/dbraw/zinc/33/58/97/183335897.db2.gz YVSQSJVYLFFSKW-CABCVRRESA-N 2 2 313.283 3.815 10 0 DHAELP CC[C@@H]([NH3+])[C@H](c1ccccc1Br)[N@@H+](C)CC(C)C ZINC000043091342 183335899 /nfs/dbraw/zinc/33/58/99/183335899.db2.gz YVSQSJVYLFFSKW-CABCVRRESA-N 2 2 313.283 3.815 10 0 DHAELP CC(C)[N@@H+]1C[C@@H](C)[C@@H]([NH2+][C@@H]2CC3(CCC3)Oc3ccccc32)C1 ZINC000151626984 332209385 /nfs/dbraw/zinc/20/93/85/332209385.db2.gz CBZZLGHBSCLGEE-NXHRZFHOSA-N 2 2 314.473 3.751 10 0 DHAELP CC(C)[N@H+]1C[C@@H](C)[C@@H]([NH2+][C@@H]2CC3(CCC3)Oc3ccccc32)C1 ZINC000151626984 332209387 /nfs/dbraw/zinc/20/93/87/332209387.db2.gz CBZZLGHBSCLGEE-NXHRZFHOSA-N 2 2 314.473 3.751 10 0 DHAELP Cc1cccc2c(N3CC[C@@H](C)[C@@H](n4cc[nH+]c4)C3)cc[nH+]c12 ZINC000301663729 336321809 /nfs/dbraw/zinc/32/18/09/336321809.db2.gz KQXVIGWMDQJTGL-KDOFPFPSSA-N 2 2 306.413 3.827 10 0 DHAELP Cc1cccc2c(N3CC[C@@H](Oc4cc[nH+]cc4)C3)cc[nH+]c12 ZINC000301666771 336321987 /nfs/dbraw/zinc/32/19/87/336321987.db2.gz LYLMDHKIHQNBLA-MRXNPFEDSA-N 2 2 305.381 3.596 10 0 DHAELP CCSc1cccc(C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)c1 ZINC000186256230 337254922 /nfs/dbraw/zinc/25/49/22/337254922.db2.gz FKVOQPHBXLONJC-QGZVFWFLSA-N 2 2 315.486 3.968 10 0 DHAELP c1cn(C[C@H]2CCC[N@@H+]2Cc2cnc(C3CCCC3)s2)c[nH+]1 ZINC000188417463 337273211 /nfs/dbraw/zinc/27/32/11/337273211.db2.gz AXVYZFTXKTWXMP-OAHLLOKOSA-N 2 2 316.474 3.662 10 0 DHAELP c1cn(C[C@H]2CCC[N@H+]2Cc2cnc(C3CCCC3)s2)c[nH+]1 ZINC000188417463 337273212 /nfs/dbraw/zinc/27/32/12/337273212.db2.gz AXVYZFTXKTWXMP-OAHLLOKOSA-N 2 2 316.474 3.662 10 0 DHAELP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000191869684 337301791 /nfs/dbraw/zinc/30/17/91/337301791.db2.gz UFIQZGQHONJXLQ-OAHLLOKOSA-N 2 2 323.362 3.955 10 0 DHAELP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000191869684 337301792 /nfs/dbraw/zinc/30/17/92/337301792.db2.gz UFIQZGQHONJXLQ-OAHLLOKOSA-N 2 2 323.362 3.955 10 0 DHAELP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCCC[C@H]1c1cn[nH]c1 ZINC000192105715 337302878 /nfs/dbraw/zinc/30/28/78/337302878.db2.gz FGEYPYBRQBCWIH-IBGZPJMESA-N 2 2 321.428 3.631 10 0 DHAELP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCCC[C@H]1c1cn[nH]c1 ZINC000192105715 337302879 /nfs/dbraw/zinc/30/28/79/337302879.db2.gz FGEYPYBRQBCWIH-IBGZPJMESA-N 2 2 321.428 3.631 10 0 DHAELP CC[N@@H+]1CCC[C@H]([NH2+][C@@H](C)[C@@H](C)c2nc3ccccc3s2)C1 ZINC000133034175 341152389 /nfs/dbraw/zinc/15/23/89/341152389.db2.gz LDLFFURGAFXKAU-ILXRZTDVSA-N 2 2 317.502 3.862 10 0 DHAELP CC[N@H+]1CCC[C@H]([NH2+][C@@H](C)[C@@H](C)c2nc3ccccc3s2)C1 ZINC000133034175 341152390 /nfs/dbraw/zinc/15/23/90/341152390.db2.gz LDLFFURGAFXKAU-ILXRZTDVSA-N 2 2 317.502 3.862 10 0 DHAELP CC[N@@H+]1CC[C@H](Nc2ccc(-n3cc[nH+]c3)c(Cl)c2)[C@@H](C)C1 ZINC000245608956 341305127 /nfs/dbraw/zinc/30/51/27/341305127.db2.gz UJVBSBFQLXGAGS-BBRMVZONSA-N 2 2 318.852 3.668 10 0 DHAELP CC[N@H+]1CC[C@H](Nc2ccc(-n3cc[nH+]c3)c(Cl)c2)[C@@H](C)C1 ZINC000245608956 341305128 /nfs/dbraw/zinc/30/51/28/341305128.db2.gz UJVBSBFQLXGAGS-BBRMVZONSA-N 2 2 318.852 3.668 10 0 DHAELP CC(C)n1ccnc1C[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000180650185 520031039 /nfs/dbraw/zinc/03/10/39/520031039.db2.gz PQYDFAQKYNTAJZ-OAHLLOKOSA-N 2 2 309.417 3.501 10 0 DHAELP CCC[C@@H](C(=O)Nc1ccc(Oc2cc[nH+]cc2)cc1)[NH+](C)C ZINC000161856490 520598429 /nfs/dbraw/zinc/59/84/29/520598429.db2.gz NVBJUHQZEIKCMP-KRWDZBQOSA-N 2 2 313.401 3.543 10 0 DHAELP CCC[C@@H](C(=O)Nc1cccc(Oc2cc[nH+]cc2)c1)[NH+](C)C ZINC000162113178 520598892 /nfs/dbraw/zinc/59/88/92/520598892.db2.gz BRPBHLFUJICLHU-KRWDZBQOSA-N 2 2 313.401 3.543 10 0 DHAELP C[N@H+](Cc1ccccc1)[C@@H](C[NH3+])c1ccc(Br)cc1 ZINC000019264774 182111690 /nfs/dbraw/zinc/11/16/90/182111690.db2.gz AMWCGZLXINPZRH-INIZCTEOSA-N 2 2 319.246 3.581 10 0 DHAELP C[N@@H+](Cc1ccccc1)[C@@H](C[NH3+])c1ccc(Br)cc1 ZINC000019264774 182111691 /nfs/dbraw/zinc/11/16/91/182111691.db2.gz AMWCGZLXINPZRH-INIZCTEOSA-N 2 2 319.246 3.581 10 0 DHAELP C[N@H+]([C@H](C[NH3+])c1ccc(C(F)(F)F)cc1)C1CCCCC1 ZINC000020081709 182185127 /nfs/dbraw/zinc/18/51/27/182185127.db2.gz QSLRZVKRLJJYQH-OAHLLOKOSA-N 2 2 300.368 3.970 10 0 DHAELP C[N@@H+]([C@H](C[NH3+])c1ccc(C(F)(F)F)cc1)C1CCCCC1 ZINC000020081709 182185130 /nfs/dbraw/zinc/18/51/30/182185130.db2.gz QSLRZVKRLJJYQH-OAHLLOKOSA-N 2 2 300.368 3.970 10 0 DHAELP C[N@H+]([C@@H](C[NH3+])c1cccc(C(F)(F)F)c1)C1CCCCC1 ZINC000020081719 182185297 /nfs/dbraw/zinc/18/52/97/182185297.db2.gz BWTLOAGZEUDKQI-HNNXBMFYSA-N 2 2 300.368 3.970 10 0 DHAELP C[N@@H+]([C@@H](C[NH3+])c1cccc(C(F)(F)F)c1)C1CCCCC1 ZINC000020081719 182185298 /nfs/dbraw/zinc/18/52/98/182185298.db2.gz BWTLOAGZEUDKQI-HNNXBMFYSA-N 2 2 300.368 3.970 10 0 DHAELP CCC[N@H+](CC1CC1)[C@H](C[NH3+])c1ccc(Br)s1 ZINC000042317673 183253265 /nfs/dbraw/zinc/25/32/65/183253265.db2.gz WPKOWALLBODRHC-LLVKDONJSA-N 2 2 317.296 3.632 10 0 DHAELP CCC[N@@H+](CC1CC1)[C@H](C[NH3+])c1ccc(Br)s1 ZINC000042317673 183253268 /nfs/dbraw/zinc/25/32/68/183253268.db2.gz WPKOWALLBODRHC-LLVKDONJSA-N 2 2 317.296 3.632 10 0 DHAELP CC(C)C[C@H](C)[N@H+](C)[C@@H](C[NH3+])c1cccc(Br)c1 ZINC000042563519 183285155 /nfs/dbraw/zinc/28/51/55/183285155.db2.gz SRQOLQZZAOQNSX-WFASDCNBSA-N 2 2 313.283 3.815 10 0 DHAELP CC(C)C[C@H](C)[N@@H+](C)[C@@H](C[NH3+])c1cccc(Br)c1 ZINC000042563519 183285157 /nfs/dbraw/zinc/28/51/57/183285157.db2.gz SRQOLQZZAOQNSX-WFASDCNBSA-N 2 2 313.283 3.815 10 0 DHAELP C[C@@H]1CCCC[C@H]1[N@H+](C)[C@@H](C[NH3+])c1ccc(Br)o1 ZINC000042607001 183290285 /nfs/dbraw/zinc/29/02/85/183290285.db2.gz LDFNWSABLSXDEX-UTUOFQBUSA-N 2 2 315.255 3.552 10 0 DHAELP C[C@@H]1CCCC[C@H]1[N@@H+](C)[C@@H](C[NH3+])c1ccc(Br)o1 ZINC000042607001 183290287 /nfs/dbraw/zinc/29/02/87/183290287.db2.gz LDFNWSABLSXDEX-UTUOFQBUSA-N 2 2 315.255 3.552 10 0 DHAELP C[C@@H]([N@H+](C)[C@@H](C[NH3+])c1ccc(Br)s1)C(C)(C)C ZINC000042741960 183304986 /nfs/dbraw/zinc/30/49/86/183304986.db2.gz MGMICVKBWNCQHM-ZJUUUORDSA-N 2 2 319.312 3.877 10 0 DHAELP C[C@@H]([N@@H+](C)[C@@H](C[NH3+])c1ccc(Br)s1)C(C)(C)C ZINC000042741960 183304988 /nfs/dbraw/zinc/30/49/88/183304988.db2.gz MGMICVKBWNCQHM-ZJUUUORDSA-N 2 2 319.312 3.877 10 0 DHAELP CC[C@H]([NH3+])[C@@H](c1cccc(Br)c1)[N@H+](C)CC1CC1 ZINC000043021046 183329959 /nfs/dbraw/zinc/32/99/59/183329959.db2.gz GDRNMRKDUUXWMP-LSDHHAIUSA-N 2 2 311.267 3.569 10 0 DHAELP CC[C@H]([NH3+])[C@@H](c1cccc(Br)c1)[N@@H+](C)CC1CC1 ZINC000043021046 183329960 /nfs/dbraw/zinc/32/99/60/183329960.db2.gz GDRNMRKDUUXWMP-LSDHHAIUSA-N 2 2 311.267 3.569 10 0 DHAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2ccc(F)c(F)c2)C1 ZINC000106216166 194191489 /nfs/dbraw/zinc/19/14/89/194191489.db2.gz KRGXIVPKULUQSX-CQSZACIVSA-N 2 2 305.372 3.561 10 0 DHAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2ccc(F)c(F)c2)C1 ZINC000106216166 194191491 /nfs/dbraw/zinc/19/14/91/194191491.db2.gz KRGXIVPKULUQSX-CQSZACIVSA-N 2 2 305.372 3.561 10 0 DHAELP CSCCc1c(-c2ccccc2)[nH+]cn1CCCCC[NH3+] ZINC000065508172 184356948 /nfs/dbraw/zinc/35/69/48/184356948.db2.gz XBMCTHSWXHFJGW-UHFFFAOYSA-N 2 2 303.475 3.585 10 0 DHAELP Clc1ccc2c(c1)[nH+]ccc2N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000301224408 336295550 /nfs/dbraw/zinc/29/55/50/336295550.db2.gz FJAZTGIEGYDDJN-AWEZNQCLSA-N 2 2 301.821 3.563 10 0 DHAELP Clc1ccc2c(c1)[nH+]ccc2N1CC[N@H+]2CCCC[C@H]2C1 ZINC000301224408 336295551 /nfs/dbraw/zinc/29/55/51/336295551.db2.gz FJAZTGIEGYDDJN-AWEZNQCLSA-N 2 2 301.821 3.563 10 0 DHAELP COc1ccc([C@@H]2[C@H](CNc3cccc[nH+]3)CCC[N@@H+]2C)cc1 ZINC000301275729 336298119 /nfs/dbraw/zinc/29/81/19/336298119.db2.gz ISSXUZWLDQAEBR-QFBILLFUSA-N 2 2 311.429 3.585 10 0 DHAELP COc1ccc([C@@H]2[C@H](CNc3cccc[nH+]3)CCC[N@H+]2C)cc1 ZINC000301275729 336298120 /nfs/dbraw/zinc/29/81/20/336298120.db2.gz ISSXUZWLDQAEBR-QFBILLFUSA-N 2 2 311.429 3.585 10 0 DHAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](Cc2ccc(F)cc2C)C1 ZINC000122904466 337030233 /nfs/dbraw/zinc/03/02/33/337030233.db2.gz CUDZIKLHBLFECG-KRWDZBQOSA-N 2 2 301.409 3.730 10 0 DHAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](Cc2ccc(F)cc2C)C1 ZINC000122904466 337030234 /nfs/dbraw/zinc/03/02/34/337030234.db2.gz CUDZIKLHBLFECG-KRWDZBQOSA-N 2 2 301.409 3.730 10 0 DHAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CCCOc2ccccc2)C1 ZINC000171523898 337087749 /nfs/dbraw/zinc/08/77/49/337087749.db2.gz GDTQAFUNPKXTFR-QGZVFWFLSA-N 2 2 313.445 3.552 10 0 DHAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CCCOc2ccccc2)C1 ZINC000171523898 337087750 /nfs/dbraw/zinc/08/77/50/337087750.db2.gz GDTQAFUNPKXTFR-QGZVFWFLSA-N 2 2 313.445 3.552 10 0 DHAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2cc(F)ccc2C)C1 ZINC000180120307 337171504 /nfs/dbraw/zinc/17/15/04/337171504.db2.gz GHNIIIRPUZMNPK-QGZVFWFLSA-N 2 2 301.409 3.730 10 0 DHAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2cc(F)ccc2C)C1 ZINC000180120307 337171505 /nfs/dbraw/zinc/17/15/05/337171505.db2.gz GHNIIIRPUZMNPK-QGZVFWFLSA-N 2 2 301.409 3.730 10 0 DHAELP CC[NH+](CC)CCCNc1cc[nH+]c2c(N)c(Cl)ccc12 ZINC000584635757 337376060 /nfs/dbraw/zinc/37/60/60/337376060.db2.gz QCSGUWRQYOAZGR-UHFFFAOYSA-N 2 2 306.841 3.614 10 0 DHAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1[C@H]1CCc2c1cccc2Cl ZINC000246520692 341352389 /nfs/dbraw/zinc/35/23/89/341352389.db2.gz CCCFNEPBRXYEGH-KDOFPFPSSA-N 2 2 315.848 3.997 10 0 DHAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1[C@H]1CCc2c1cccc2Cl ZINC000246520692 341352390 /nfs/dbraw/zinc/35/23/90/341352390.db2.gz CCCFNEPBRXYEGH-KDOFPFPSSA-N 2 2 315.848 3.997 10 0 DHAELP Cc1cc(NC[C@H]2CCC[NH2+]C2)nc(-c2cccc(Cl)c2)[nH+]1 ZINC000070456322 525277281 /nfs/dbraw/zinc/27/72/81/525277281.db2.gz OEKMOLXNRYAXQX-ZDUSSCGKSA-N 2 2 316.836 3.517 10 0 DHAELP CC[C@@H]([NH2+][C@@H]1C[NH+]2CCC1CC2)c1ccc(Br)cc1 ZINC000019947445 182169265 /nfs/dbraw/zinc/16/92/65/182169265.db2.gz RUHVSCLBJAZRHO-HZPDHXFCSA-N 2 2 323.278 3.584 10 0 DHAELP CCCC[N@H+]([C@@H](C[NH3+])c1ccc(Br)s1)C1CC1 ZINC000042317755 183253355 /nfs/dbraw/zinc/25/33/55/183253355.db2.gz MORCWWKWKFVAMC-NSHDSACASA-N 2 2 317.296 3.775 10 0 DHAELP CCCC[N@@H+]([C@@H](C[NH3+])c1ccc(Br)s1)C1CC1 ZINC000042317755 183253357 /nfs/dbraw/zinc/25/33/57/183253357.db2.gz MORCWWKWKFVAMC-NSHDSACASA-N 2 2 317.296 3.775 10 0 DHAELP C[C@@H]([NH2+][C@@H](C)C[NH+]1CCCC1)c1ccc(Br)cc1 ZINC000042597278 183289392 /nfs/dbraw/zinc/28/93/92/183289392.db2.gz IVOQSDUXWMBBAO-QWHCGFSZSA-N 2 2 311.267 3.584 10 0 DHAELP CC(C)CC[N@H+](C)[C@@H](c1ccc(Br)cc1)[C@@H](C)[NH3+] ZINC000042954345 183321212 /nfs/dbraw/zinc/32/12/12/183321212.db2.gz HJPQRQLGEPHQPZ-IUODEOHRSA-N 2 2 313.283 3.815 10 0 DHAELP CC(C)CC[N@@H+](C)[C@@H](c1ccc(Br)cc1)[C@@H](C)[NH3+] ZINC000042954345 183321215 /nfs/dbraw/zinc/32/12/15/183321215.db2.gz HJPQRQLGEPHQPZ-IUODEOHRSA-N 2 2 313.283 3.815 10 0 DHAELP CC[C@H]([NH3+])[C@@H](c1ccc(Br)cc1)[N@@H+]1CC[C@H](C)C1 ZINC000042954116 183322296 /nfs/dbraw/zinc/32/22/96/183322296.db2.gz NLMCWRAYLMDOER-TUKIKUTGSA-N 2 2 311.267 3.569 10 0 DHAELP CC[C@H]([NH3+])[C@@H](c1ccc(Br)cc1)[N@H+]1CC[C@H](C)C1 ZINC000042954116 183322299 /nfs/dbraw/zinc/32/22/99/183322299.db2.gz NLMCWRAYLMDOER-TUKIKUTGSA-N 2 2 311.267 3.569 10 0 DHAELP C[C@@H]([NH3+])[C@H](c1ccccc1Br)[N@H+](C)[C@@H](C)C1CC1 ZINC000043091718 183335815 /nfs/dbraw/zinc/33/58/15/183335815.db2.gz MISMDYADIQIGKU-JRPNMDOOSA-N 2 2 311.267 3.568 10 0 DHAELP C[C@@H]([NH3+])[C@H](c1ccccc1Br)[N@@H+](C)[C@@H](C)C1CC1 ZINC000043091718 183335820 /nfs/dbraw/zinc/33/58/20/183335820.db2.gz MISMDYADIQIGKU-JRPNMDOOSA-N 2 2 311.267 3.568 10 0 DHAELP C[C@H]([NH3+])[C@@H](c1ccccc1Br)[NH+]1CCCCCC1 ZINC000043090471 183336024 /nfs/dbraw/zinc/33/60/24/183336024.db2.gz BSDPHXQRYOIWOU-WFASDCNBSA-N 2 2 311.267 3.713 10 0 DHAELP Cc1ccc(C[N@@H+](C)CC[C@H]([NH3+])C(C)C)c(Br)c1 ZINC000164128243 132129965 /nfs/dbraw/zinc/12/99/65/132129965.db2.gz MTPPLLWAOYFLQP-HNNXBMFYSA-N 2 2 313.283 3.563 10 0 DHAELP Cc1ccc(C[N@H+](C)CC[C@H]([NH3+])C(C)C)c(Br)c1 ZINC000164128243 132129967 /nfs/dbraw/zinc/12/99/67/132129967.db2.gz MTPPLLWAOYFLQP-HNNXBMFYSA-N 2 2 313.283 3.563 10 0 DHAELP C[C@H]([NH2+]C[C@H]1CCCC[N@@H+]1Cc1ccccc1)c1cccnc1 ZINC000112537083 333093821 /nfs/dbraw/zinc/09/38/21/333093821.db2.gz HEWSEAVALFVYKB-FXAWDEMLSA-N 2 2 309.457 3.787 10 0 DHAELP C[C@H]([NH2+]C[C@H]1CCCC[N@H+]1Cc1ccccc1)c1cccnc1 ZINC000112537083 333093823 /nfs/dbraw/zinc/09/38/23/333093823.db2.gz HEWSEAVALFVYKB-FXAWDEMLSA-N 2 2 309.457 3.787 10 0 DHAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](Cc2ccc(F)c(C)c2)C1 ZINC000122888061 337028009 /nfs/dbraw/zinc/02/80/09/337028009.db2.gz BTCFTHIGWDBKHF-INIZCTEOSA-N 2 2 301.409 3.730 10 0 DHAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](Cc2ccc(F)c(C)c2)C1 ZINC000122888061 337028010 /nfs/dbraw/zinc/02/80/10/337028010.db2.gz BTCFTHIGWDBKHF-INIZCTEOSA-N 2 2 301.409 3.730 10 0 DHAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+]([C@@H](C)c2cccc(F)c2)C1 ZINC000171521353 337087758 /nfs/dbraw/zinc/08/77/58/337087758.db2.gz CAYQSLAZDUWRQV-YOEHRIQHSA-N 2 2 301.409 3.983 10 0 DHAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+]([C@@H](C)c2cccc(F)c2)C1 ZINC000171521353 337087759 /nfs/dbraw/zinc/08/77/59/337087759.db2.gz CAYQSLAZDUWRQV-YOEHRIQHSA-N 2 2 301.409 3.983 10 0 DHAELP C[C@H]([NH2+]Cc1nc2ccccc2o1)c1cccc(-n2cc[nH+]c2)c1 ZINC000180656179 337177071 /nfs/dbraw/zinc/17/70/71/337177071.db2.gz DBGOHYMEOVNYFU-AWEZNQCLSA-N 2 2 318.380 3.864 10 0 DHAELP CC(C)c1cnc(C[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)s1 ZINC000183035673 337191071 /nfs/dbraw/zinc/19/10/71/337191071.db2.gz YUHWCZPERSCGEU-AWEZNQCLSA-N 2 2 316.474 3.596 10 0 DHAELP CC(C)c1cnc(C[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)s1 ZINC000183035673 337191072 /nfs/dbraw/zinc/19/10/72/337191072.db2.gz YUHWCZPERSCGEU-AWEZNQCLSA-N 2 2 316.474 3.596 10 0 DHAELP C[C@@H]([NH3+])c1cccc(-c2c[nH+]cn2CCc2ccc(F)cc2)c1 ZINC000584595203 337374011 /nfs/dbraw/zinc/37/40/11/337374011.db2.gz PKAMDCFTEONSRH-CQSZACIVSA-N 2 2 309.388 3.952 10 0 DHAELP C[C@@H]([NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1)c1nc(C2CC2)no1 ZINC000180661897 525611816 /nfs/dbraw/zinc/61/18/16/525611816.db2.gz NHVKPGQVJIFFAT-QWHCGFSZSA-N 2 2 323.400 3.545 10 0 DHAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1cccc(Cl)c1F ZINC000180132026 527441091 /nfs/dbraw/zinc/44/10/91/527441091.db2.gz UHGDXASAJHORBN-AWEZNQCLSA-N 2 2 307.800 3.649 10 0 DHAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1cccc(Cl)c1F ZINC000180132026 527441099 /nfs/dbraw/zinc/44/10/99/527441099.db2.gz UHGDXASAJHORBN-AWEZNQCLSA-N 2 2 307.800 3.649 10 0 DHAELP c1cn(CCC[NH2+]Cc2ccccc2OCc2ccccc2)c[nH+]1 ZINC000010313979 563355922 /nfs/dbraw/zinc/35/59/22/563355922.db2.gz MUNVTHGWFITMAN-UHFFFAOYSA-N 2 2 321.424 3.642 10 0 DHAELP Fc1ccc(-c2c[nH]c(C3CC[NH2+]CC3)[nH+]2)cc1C(F)(F)F ZINC000091692343 193093088 /nfs/dbraw/zinc/09/30/88/193093088.db2.gz RIDQZQZJZJBQMM-UHFFFAOYSA-N 2 2 313.298 3.702 10 0 DHAELP C[N@H+]([C@H](C[NH3+])c1cccc(C(F)(F)F)c1)C1CCCCC1 ZINC000020081722 182184956 /nfs/dbraw/zinc/18/49/56/182184956.db2.gz BWTLOAGZEUDKQI-OAHLLOKOSA-N 2 2 300.368 3.970 10 0 DHAELP C[N@@H+]([C@H](C[NH3+])c1cccc(C(F)(F)F)c1)C1CCCCC1 ZINC000020081722 182184957 /nfs/dbraw/zinc/18/49/57/182184957.db2.gz BWTLOAGZEUDKQI-OAHLLOKOSA-N 2 2 300.368 3.970 10 0 DHAELP C[C@H]1C[C@H](C)C[NH+]([C@@H](C[NH3+])c2ccc(C(F)(F)F)cc2)C1 ZINC000020081913 182185013 /nfs/dbraw/zinc/18/50/13/182185013.db2.gz QGXJNMNXCIJUOK-HUBLWGQQSA-N 2 2 300.368 3.683 10 0 DHAELP C[NH+](C)C1CC[NH+](C2c3ccccc3Oc3ccccc32)CC1 ZINC000028230129 182513973 /nfs/dbraw/zinc/51/39/73/182513973.db2.gz DDPBQAXVJUKTKJ-UHFFFAOYSA-N 2 2 308.425 3.908 10 0 DHAELP CC(C)C[C@](C)(C[NH3+])[N@H+](C)Cc1csc(Br)c1 ZINC000042361226 183258031 /nfs/dbraw/zinc/25/80/31/183258031.db2.gz RMJTXSCWSIAYGT-CYBMUJFWSA-N 2 2 319.312 3.706 10 0 DHAELP CC(C)C[C@](C)(C[NH3+])[N@@H+](C)Cc1csc(Br)c1 ZINC000042361226 183258034 /nfs/dbraw/zinc/25/80/34/183258034.db2.gz RMJTXSCWSIAYGT-CYBMUJFWSA-N 2 2 319.312 3.706 10 0 DHAELP CC(C)[N@H+](CC1CC1)[C@@H](C[NH3+])c1ccc(Br)cc1 ZINC000042580079 183286775 /nfs/dbraw/zinc/28/67/75/183286775.db2.gz PCKNJDVJLVAGLG-HNNXBMFYSA-N 2 2 311.267 3.569 10 0 DHAELP CC(C)[N@@H+](CC1CC1)[C@@H](C[NH3+])c1ccc(Br)cc1 ZINC000042580079 183286777 /nfs/dbraw/zinc/28/67/77/183286777.db2.gz PCKNJDVJLVAGLG-HNNXBMFYSA-N 2 2 311.267 3.569 10 0 DHAELP CC[C@H]([NH3+])[C@@H](c1ccc(Br)cc1)[N@H+](C)CC1CC1 ZINC000042954042 183322262 /nfs/dbraw/zinc/32/22/62/183322262.db2.gz DAQKWBGQDUDPAR-LSDHHAIUSA-N 2 2 311.267 3.569 10 0 DHAELP CC[C@H]([NH3+])[C@@H](c1ccc(Br)cc1)[N@@H+](C)CC1CC1 ZINC000042954042 183322265 /nfs/dbraw/zinc/32/22/65/183322265.db2.gz DAQKWBGQDUDPAR-LSDHHAIUSA-N 2 2 311.267 3.569 10 0 DHAELP CC[C@H]([NH3+])[C@@H](c1ccccc1Br)[N@@H+]1CCC[C@@H]1C ZINC000043092384 183335976 /nfs/dbraw/zinc/33/59/76/183335976.db2.gz NRZYKGLNUZTZFA-TUKIKUTGSA-N 2 2 311.267 3.712 10 0 DHAELP CC[C@H]([NH3+])[C@@H](c1ccccc1Br)[N@H+]1CCC[C@@H]1C ZINC000043092384 183335978 /nfs/dbraw/zinc/33/59/78/183335978.db2.gz NRZYKGLNUZTZFA-TUKIKUTGSA-N 2 2 311.267 3.712 10 0 DHAELP C[C@@H]([NH3+])[C@@H](c1ccccc1Br)[N@H+](C)C1CCCC1 ZINC000043091260 183336017 /nfs/dbraw/zinc/33/60/17/183336017.db2.gz NWQPBUXFCIDTLM-ABAIWWIYSA-N 2 2 311.267 3.712 10 0 DHAELP C[C@@H]([NH3+])[C@@H](c1ccccc1Br)[N@@H+](C)C1CCCC1 ZINC000043091260 183336018 /nfs/dbraw/zinc/33/60/18/183336018.db2.gz NWQPBUXFCIDTLM-ABAIWWIYSA-N 2 2 311.267 3.712 10 0 DHAELP C[N@H+](Cc1cccc(Br)c1)[C@H](C[NH3+])CC(C)(C)C ZINC000061839864 184189475 /nfs/dbraw/zinc/18/94/75/184189475.db2.gz IXVQCLHVCSVYKC-AWEZNQCLSA-N 2 2 313.283 3.644 10 0 DHAELP C[N@@H+](Cc1cccc(Br)c1)[C@H](C[NH3+])CC(C)(C)C ZINC000061839864 184189476 /nfs/dbraw/zinc/18/94/76/184189476.db2.gz IXVQCLHVCSVYKC-AWEZNQCLSA-N 2 2 313.283 3.644 10 0 DHAELP Cc1cccc2c(N3CC[C@@H](C)[C@H](n4cc[nH+]c4)C3)cc[nH+]c12 ZINC000301663732 336321829 /nfs/dbraw/zinc/32/18/29/336321829.db2.gz KQXVIGWMDQJTGL-RDTXWAMCSA-N 2 2 306.413 3.827 10 0 DHAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+]([C@@H]2CCc3ccc(F)cc32)C1 ZINC000177713307 337158673 /nfs/dbraw/zinc/15/86/73/337158673.db2.gz BMZQGYQBRJPTKH-SJLPKXTDSA-N 2 2 313.420 3.909 10 0 DHAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+]([C@@H]2CCc3ccc(F)cc32)C1 ZINC000177713307 337158674 /nfs/dbraw/zinc/15/86/74/337158674.db2.gz BMZQGYQBRJPTKH-SJLPKXTDSA-N 2 2 313.420 3.909 10 0 DHAELP CCOc1ccccc1C[N@@H+]1CCC[C@@H](n2cc[nH+]c2CC)C1 ZINC000106217517 521483940 /nfs/dbraw/zinc/48/39/40/521483940.db2.gz PKPXTBUJCHZCMJ-QGZVFWFLSA-N 2 2 313.445 3.681 10 0 DHAELP CCOc1ccccc1C[N@H+]1CCC[C@@H](n2cc[nH+]c2CC)C1 ZINC000106217517 521483945 /nfs/dbraw/zinc/48/39/45/521483945.db2.gz PKPXTBUJCHZCMJ-QGZVFWFLSA-N 2 2 313.445 3.681 10 0 DHAELP CCC[NH+](CCC)[C@H](C[NH3+])c1ccc(OC(F)(F)F)cc1 ZINC000019995016 182175138 /nfs/dbraw/zinc/17/51/38/182175138.db2.gz VBPOVIUUSKELHP-CQSZACIVSA-N 2 2 304.356 3.707 10 0 DHAELP CCC[N@H+](CC1CC1)[C@@H](C[NH3+])c1ccc(Br)s1 ZINC000042317669 183253118 /nfs/dbraw/zinc/25/31/18/183253118.db2.gz WPKOWALLBODRHC-NSHDSACASA-N 2 2 317.296 3.632 10 0 DHAELP CCC[N@@H+](CC1CC1)[C@@H](C[NH3+])c1ccc(Br)s1 ZINC000042317669 183253120 /nfs/dbraw/zinc/25/31/20/183253120.db2.gz WPKOWALLBODRHC-NSHDSACASA-N 2 2 317.296 3.632 10 0 DHAELP CCC(CC)[C@@H](C[NH3+])[N@H+](C)Cc1cc(Br)cs1 ZINC000042398485 183264487 /nfs/dbraw/zinc/26/44/87/183264487.db2.gz JJFIDXSPICGVSO-CYBMUJFWSA-N 2 2 319.312 3.706 10 0 DHAELP CCC(CC)[C@@H](C[NH3+])[N@@H+](C)Cc1cc(Br)cs1 ZINC000042398485 183264488 /nfs/dbraw/zinc/26/44/88/183264488.db2.gz JJFIDXSPICGVSO-CYBMUJFWSA-N 2 2 319.312 3.706 10 0 DHAELP CC[C@@H]([NH3+])[C@@H](c1ccc(Br)cc1)[N@H+](C)CC1CC1 ZINC000042954045 183321574 /nfs/dbraw/zinc/32/15/74/183321574.db2.gz DAQKWBGQDUDPAR-HUUCEWRRSA-N 2 2 311.267 3.569 10 0 DHAELP CC[C@@H]([NH3+])[C@@H](c1ccc(Br)cc1)[N@@H+](C)CC1CC1 ZINC000042954045 183321577 /nfs/dbraw/zinc/32/15/77/183321577.db2.gz DAQKWBGQDUDPAR-HUUCEWRRSA-N 2 2 311.267 3.569 10 0 DHAELP CC[C@H](C)C[N@H+](C)[C@@H](c1cccc(Br)c1)[C@@H](C)[NH3+] ZINC000043020412 183328549 /nfs/dbraw/zinc/32/85/49/183328549.db2.gz XBIXNMOCKUMCPN-YWPYICTPSA-N 2 2 313.283 3.815 10 0 DHAELP CC[C@H](C)C[N@@H+](C)[C@@H](c1cccc(Br)c1)[C@@H](C)[NH3+] ZINC000043020412 183328551 /nfs/dbraw/zinc/32/85/51/183328551.db2.gz XBIXNMOCKUMCPN-YWPYICTPSA-N 2 2 313.283 3.815 10 0 DHAELP CCCC[N@H+](CC)[C@H](c1cccc(Br)c1)[C@@H](C)[NH3+] ZINC000043020137 183328557 /nfs/dbraw/zinc/32/85/57/183328557.db2.gz MRRGCITYYHVKBI-DOMZBBRYSA-N 2 2 313.283 3.959 10 0 DHAELP CCCC[N@@H+](CC)[C@H](c1cccc(Br)c1)[C@@H](C)[NH3+] ZINC000043020137 183328558 /nfs/dbraw/zinc/32/85/58/183328558.db2.gz MRRGCITYYHVKBI-DOMZBBRYSA-N 2 2 313.283 3.959 10 0 DHAELP CC[C@H]([NH3+])[C@@H](c1cccc(Br)c1)[N@H+](CC)C(C)C ZINC000043020321 183328597 /nfs/dbraw/zinc/32/85/97/183328597.db2.gz BARSZRFBCOGEMA-LSDHHAIUSA-N 2 2 313.283 3.958 10 0 DHAELP CC[C@H]([NH3+])[C@@H](c1cccc(Br)c1)[N@@H+](CC)C(C)C ZINC000043020321 183328598 /nfs/dbraw/zinc/32/85/98/183328598.db2.gz BARSZRFBCOGEMA-LSDHHAIUSA-N 2 2 313.283 3.958 10 0 DHAELP CC[C@@H]([NH3+])[C@@H](c1cccc(Br)c1)[N@H+](CC)C1CC1 ZINC000043020298 183328880 /nfs/dbraw/zinc/32/88/80/183328880.db2.gz DMKBRCXWHYYRSK-HUUCEWRRSA-N 2 2 311.267 3.712 10 0 DHAELP CC[C@@H]([NH3+])[C@@H](c1cccc(Br)c1)[N@@H+](CC)C1CC1 ZINC000043020298 183328883 /nfs/dbraw/zinc/32/88/83/183328883.db2.gz DMKBRCXWHYYRSK-HUUCEWRRSA-N 2 2 311.267 3.712 10 0 DHAELP CC[C@@H]1CCC[N@@H+]1[C@@H](c1cccc(Br)c1)[C@@H](C)[NH3+] ZINC000043021034 183329883 /nfs/dbraw/zinc/32/98/83/183329883.db2.gz PAMNTJIYZDKJSC-KCPJHIHWSA-N 2 2 311.267 3.712 10 0 DHAELP CC[C@@H]1CCC[N@H+]1[C@@H](c1cccc(Br)c1)[C@@H](C)[NH3+] ZINC000043021034 183329885 /nfs/dbraw/zinc/32/98/85/183329885.db2.gz PAMNTJIYZDKJSC-KCPJHIHWSA-N 2 2 311.267 3.712 10 0 DHAELP CCC[NH+](CCC)[C@H](c1ccccc1Br)[C@@H](C)[NH3+] ZINC000043090612 183336213 /nfs/dbraw/zinc/33/62/13/183336213.db2.gz KWFQZZOCBBMPRK-DOMZBBRYSA-N 2 2 313.283 3.959 10 0 DHAELP CC[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1C)c1cccc(Br)c1 ZINC000222702561 337180153 /nfs/dbraw/zinc/18/01/53/337180153.db2.gz MUJWBCQRIQUCAF-GJZGRUSLSA-N 2 2 311.267 3.584 10 0 DHAELP CC[C@H]([NH2+]C[C@@H]1CCC[N@H+]1C)c1cccc(Br)c1 ZINC000222702561 337180154 /nfs/dbraw/zinc/18/01/54/337180154.db2.gz MUJWBCQRIQUCAF-GJZGRUSLSA-N 2 2 311.267 3.584 10 0 DHAELP CC/C=C\CC[N@@H+]1CC[C@H](C[NH+](C)Cc2scnc2C)C1 ZINC000434494713 338218467 /nfs/dbraw/zinc/21/84/67/338218467.db2.gz PSNXFWTZJZEXFI-OGZRUICASA-N 2 2 307.507 3.562 10 0 DHAELP CC/C=C\CC[N@H+]1CC[C@H](C[NH+](C)Cc2scnc2C)C1 ZINC000434494713 338218468 /nfs/dbraw/zinc/21/84/68/338218468.db2.gz PSNXFWTZJZEXFI-OGZRUICASA-N 2 2 307.507 3.562 10 0 DHAELP CC/C=C\CC[NH+]1CC[C@H](C[N@H+](C)Cc2scnc2C)C1 ZINC000434494713 338218469 /nfs/dbraw/zinc/21/84/69/338218469.db2.gz PSNXFWTZJZEXFI-OGZRUICASA-N 2 2 307.507 3.562 10 0 DHAELP CC/C=C\CC[NH+]1CC[C@H](C[N@@H+](C)Cc2scnc2C)C1 ZINC000434494713 338218470 /nfs/dbraw/zinc/21/84/70/338218470.db2.gz PSNXFWTZJZEXFI-OGZRUICASA-N 2 2 307.507 3.562 10 0 DHAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+]([C@@H](C)c2ccc(F)cc2)C1 ZINC000106212143 522599800 /nfs/dbraw/zinc/59/98/00/522599800.db2.gz BUXPTWCGURBUBR-YOEHRIQHSA-N 2 2 301.409 3.983 10 0 DHAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+]([C@@H](C)c2ccc(F)cc2)C1 ZINC000106212143 522599807 /nfs/dbraw/zinc/59/98/07/522599807.db2.gz BUXPTWCGURBUBR-YOEHRIQHSA-N 2 2 301.409 3.983 10 0 DHAELP O=Cc1ccc(C(Nc2cccc[nH+]2)Nc2cccc[nH+]2)cc1 ZINC000090669090 185308928 /nfs/dbraw/zinc/30/89/28/185308928.db2.gz ICMCHBDLNBJVHR-UHFFFAOYSA-N 2 2 304.353 3.512 10 0 DHAELP CCCC[NH+](CCCC)CCNc1[nH+]c2ccccc2n1C ZINC000006856608 190625145 /nfs/dbraw/zinc/62/51/45/190625145.db2.gz UGDRZSIDCVYVPT-UHFFFAOYSA-N 2 2 302.466 3.887 10 0 DHAELP Cc1cccc([C@H](Cn2cc[nH+]c2-c2cccc(O)c2)[NH+](C)C)c1 ZINC000072408894 191153640 /nfs/dbraw/zinc/15/36/40/191153640.db2.gz RDIZRHJVFODWDV-IBGZPJMESA-N 2 2 321.424 3.867 10 0 DHAELP CCCC[N@H+](CC)[C@@H](C[NH3+])c1ccc(Br)s1 ZINC000019396233 182120711 /nfs/dbraw/zinc/12/07/11/182120711.db2.gz XBYWZZFQOIUBGA-JTQLQIEISA-N 2 2 305.285 3.632 10 0 DHAELP CCCC[N@@H+](CC)[C@@H](C[NH3+])c1ccc(Br)s1 ZINC000019396233 182120714 /nfs/dbraw/zinc/12/07/14/182120714.db2.gz XBYWZZFQOIUBGA-JTQLQIEISA-N 2 2 305.285 3.632 10 0 DHAELP C[N@H+]([C@@H](C[NH3+])c1ccccc1C(F)(F)F)C1CCCCC1 ZINC000020081710 182185116 /nfs/dbraw/zinc/18/51/16/182185116.db2.gz KFLFKWVVXNXUOQ-HNNXBMFYSA-N 2 2 300.368 3.970 10 0 DHAELP C[N@@H+]([C@@H](C[NH3+])c1ccccc1C(F)(F)F)C1CCCCC1 ZINC000020081710 182185118 /nfs/dbraw/zinc/18/51/18/182185118.db2.gz KFLFKWVVXNXUOQ-HNNXBMFYSA-N 2 2 300.368 3.970 10 0 DHAELP C[N@H+]([C@@H](C[NH3+])c1ccc(C(F)(F)F)cc1)C1CCCCC1 ZINC000020081706 182185217 /nfs/dbraw/zinc/18/52/17/182185217.db2.gz QSLRZVKRLJJYQH-HNNXBMFYSA-N 2 2 300.368 3.970 10 0 DHAELP C[N@@H+]([C@@H](C[NH3+])c1ccc(C(F)(F)F)cc1)C1CCCCC1 ZINC000020081706 182185218 /nfs/dbraw/zinc/18/52/18/182185218.db2.gz QSLRZVKRLJJYQH-HNNXBMFYSA-N 2 2 300.368 3.970 10 0 DHAELP CC(C)[N@H+](CC1CC1)[C@H](C[NH3+])c1cccc(Br)c1 ZINC000042580337 183287179 /nfs/dbraw/zinc/28/71/79/183287179.db2.gz ZUUABJADFDQRNU-OAHLLOKOSA-N 2 2 311.267 3.569 10 0 DHAELP CC(C)[N@@H+](CC1CC1)[C@H](C[NH3+])c1cccc(Br)c1 ZINC000042580337 183287180 /nfs/dbraw/zinc/28/71/80/183287180.db2.gz ZUUABJADFDQRNU-OAHLLOKOSA-N 2 2 311.267 3.569 10 0 DHAELP C[C@@H](C[NH+]1CCCC1)[NH2+][C@@H](C)c1cccc(Br)c1 ZINC000042597301 183289454 /nfs/dbraw/zinc/28/94/54/183289454.db2.gz VNMNZPXISAUVLZ-STQMWFEESA-N 2 2 311.267 3.584 10 0 DHAELP C[C@@H]([N@H+](C)[C@@H](C[NH3+])c1cc(Br)cs1)C(C)(C)C ZINC000042742043 183304745 /nfs/dbraw/zinc/30/47/45/183304745.db2.gz RIVCVJGHXWZIQJ-KOLCDFICSA-N 2 2 319.312 3.877 10 0 DHAELP C[C@@H]([N@@H+](C)[C@@H](C[NH3+])c1cc(Br)cs1)C(C)(C)C ZINC000042742043 183304748 /nfs/dbraw/zinc/30/47/48/183304748.db2.gz RIVCVJGHXWZIQJ-KOLCDFICSA-N 2 2 319.312 3.877 10 0 DHAELP CCCCC[N@H+](C)[C@@H](c1ccc(Br)cc1)[C@@H](C)[NH3+] ZINC000042952960 183321607 /nfs/dbraw/zinc/32/16/07/183321607.db2.gz HKJRCEKGSWNLEL-IUODEOHRSA-N 2 2 313.283 3.959 10 0 DHAELP CCCCC[N@@H+](C)[C@@H](c1ccc(Br)cc1)[C@@H](C)[NH3+] ZINC000042952960 183321611 /nfs/dbraw/zinc/32/16/11/183321611.db2.gz HKJRCEKGSWNLEL-IUODEOHRSA-N 2 2 313.283 3.959 10 0 DHAELP CC[C@@H]1CCC[N@@H+]1[C@@H](c1ccccc1Br)[C@@H](C)[NH3+] ZINC000043092395 183335520 /nfs/dbraw/zinc/33/55/20/183335520.db2.gz COKDHDJZJMQPAP-LALPHHSUSA-N 2 2 311.267 3.712 10 0 DHAELP CC[C@@H]1CCC[N@H+]1[C@@H](c1ccccc1Br)[C@@H](C)[NH3+] ZINC000043092395 183335521 /nfs/dbraw/zinc/33/55/21/183335521.db2.gz COKDHDJZJMQPAP-LALPHHSUSA-N 2 2 311.267 3.712 10 0 DHAELP C[C@@H]([NH2+]CCn1cc[nH+]c1)c1c(Cl)ccc(F)c1Cl ZINC000041119100 332214418 /nfs/dbraw/zinc/21/44/18/332214418.db2.gz LVTLOMIGJWHOMS-SECBINFHSA-N 2 2 302.180 3.680 10 0 DHAELP CCOc1cccc(C[N@@H+]2CCC[C@@H](n3cc[nH+]c3CC)C2)c1 ZINC000122831295 337026756 /nfs/dbraw/zinc/02/67/56/337026756.db2.gz ALYHGAPQXQYDOL-QGZVFWFLSA-N 2 2 313.445 3.681 10 0 DHAELP CCOc1cccc(C[N@H+]2CCC[C@@H](n3cc[nH+]c3CC)C2)c1 ZINC000122831295 337026757 /nfs/dbraw/zinc/02/67/57/337026757.db2.gz ALYHGAPQXQYDOL-QGZVFWFLSA-N 2 2 313.445 3.681 10 0 DHAELP CCOc1cccc(C[N@@H+]2CCC[C@H](n3cc[nH+]c3CC)C2)c1 ZINC000122831553 337026765 /nfs/dbraw/zinc/02/67/65/337026765.db2.gz ALYHGAPQXQYDOL-KRWDZBQOSA-N 2 2 313.445 3.681 10 0 DHAELP CCOc1cccc(C[N@H+]2CCC[C@H](n3cc[nH+]c3CC)C2)c1 ZINC000122831553 337026766 /nfs/dbraw/zinc/02/67/66/337026766.db2.gz ALYHGAPQXQYDOL-KRWDZBQOSA-N 2 2 313.445 3.681 10 0 DHAELP CC(C)N([NH3+])CC[C@@H](C)Nc1cc[nH+]c2cc(Cl)ccc12 ZINC000584637528 337379541 /nfs/dbraw/zinc/37/95/41/337379541.db2.gz XGVRBNVHVRLOTI-GFCCVEGCSA-N 2 2 306.841 3.663 10 0 DHAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1[C@@H]1CCCc2ccc(F)cc21 ZINC000133443083 341175361 /nfs/dbraw/zinc/17/53/61/341175361.db2.gz KEVINZUPJCNVLL-PKOBYXMFSA-N 2 2 313.420 3.873 10 0 DHAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1[C@@H]1CCCc2ccc(F)cc21 ZINC000133443083 341175362 /nfs/dbraw/zinc/17/53/62/341175362.db2.gz KEVINZUPJCNVLL-PKOBYXMFSA-N 2 2 313.420 3.873 10 0 DHAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2ccccc2Cl)C1 ZINC000106217671 522593290 /nfs/dbraw/zinc/59/32/90/522593290.db2.gz SJXSJQWQDXMXMF-OAHLLOKOSA-N 2 2 303.837 3.936 10 0 DHAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2ccccc2Cl)C1 ZINC000106217671 522593299 /nfs/dbraw/zinc/59/32/99/522593299.db2.gz SJXSJQWQDXMXMF-OAHLLOKOSA-N 2 2 303.837 3.936 10 0 DHAELP Cc1ccc([C@H](C)[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)o1 ZINC000180157135 525916296 /nfs/dbraw/zinc/91/62/96/525916296.db2.gz LHVLFCITJSYPDF-LBPRGKRZSA-N 2 2 304.356 3.655 10 0 DHAELP CC(C)c1cc(NC2CC[NH2+]CC2)nc(-c2cccc(F)c2)[nH+]1 ZINC000070451703 190894927 /nfs/dbraw/zinc/89/49/27/190894927.db2.gz UKXKGHICPYNUPA-UHFFFAOYSA-N 2 2 314.408 3.570 10 0 DHAELP CCC(CC)[C@H](C[NH3+])[N@H+](C)Cc1csc(Br)c1 ZINC000042360981 183257777 /nfs/dbraw/zinc/25/77/77/183257777.db2.gz AWFWOHPVEOVHKS-LBPRGKRZSA-N 2 2 319.312 3.706 10 0 DHAELP CCC(CC)[C@H](C[NH3+])[N@@H+](C)Cc1csc(Br)c1 ZINC000042360981 183257778 /nfs/dbraw/zinc/25/77/78/183257778.db2.gz AWFWOHPVEOVHKS-LBPRGKRZSA-N 2 2 319.312 3.706 10 0 DHAELP C[C@H]([NH3+])[C@H](c1cccc(Br)c1)[NH+]1CCCCCC1 ZINC000043019863 183328524 /nfs/dbraw/zinc/32/85/24/183328524.db2.gz LOJZGANNOJOBFU-SWLSCSKDSA-N 2 2 311.267 3.713 10 0 DHAELP CCC[N@H+]([C@H](c1cccc(Br)c1)[C@@H](C)[NH3+])C1CC1 ZINC000043020361 183328532 /nfs/dbraw/zinc/32/85/32/183328532.db2.gz KSAYXUPJZIEVLU-ABAIWWIYSA-N 2 2 311.267 3.712 10 0 DHAELP CCC[N@@H+]([C@H](c1cccc(Br)c1)[C@@H](C)[NH3+])C1CC1 ZINC000043020361 183328533 /nfs/dbraw/zinc/32/85/33/183328533.db2.gz KSAYXUPJZIEVLU-ABAIWWIYSA-N 2 2 311.267 3.712 10 0 DHAELP CC[C@H](C)C[N@H+](C)[C@@H](c1ccccc1Br)[C@@H](C)[NH3+] ZINC000043091395 183335704 /nfs/dbraw/zinc/33/57/04/183335704.db2.gz QHSREBHKERBEEQ-YWPYICTPSA-N 2 2 313.283 3.815 10 0 DHAELP CC[C@H](C)C[N@@H+](C)[C@@H](c1ccccc1Br)[C@@H](C)[NH3+] ZINC000043091395 183335707 /nfs/dbraw/zinc/33/57/07/183335707.db2.gz QHSREBHKERBEEQ-YWPYICTPSA-N 2 2 313.283 3.815 10 0 DHAELP CC[C@@H]([NH3+])[C@@H](c1ccccc1Br)[N@H+](C)CC(C)C ZINC000043091336 183335806 /nfs/dbraw/zinc/33/58/06/183335806.db2.gz YVSQSJVYLFFSKW-HUUCEWRRSA-N 2 2 313.283 3.815 10 0 DHAELP CC[C@@H]([NH3+])[C@@H](c1ccccc1Br)[N@@H+](C)CC(C)C ZINC000043091336 183335810 /nfs/dbraw/zinc/33/58/10/183335810.db2.gz YVSQSJVYLFFSKW-HUUCEWRRSA-N 2 2 313.283 3.815 10 0 DHAELP CC[C@@H]([NH3+])[C@H](c1ccccc1Br)[N@@H+]1CCC[C@@H]1C ZINC000043092392 183335933 /nfs/dbraw/zinc/33/59/33/183335933.db2.gz NRZYKGLNUZTZFA-GLQYFDAESA-N 2 2 311.267 3.712 10 0 DHAELP CC[C@@H]([NH3+])[C@H](c1ccccc1Br)[N@H+]1CCC[C@@H]1C ZINC000043092392 183335935 /nfs/dbraw/zinc/33/59/35/183335935.db2.gz NRZYKGLNUZTZFA-GLQYFDAESA-N 2 2 311.267 3.712 10 0 DHAELP CCC[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)c(Br)c1 ZINC000061698311 184183923 /nfs/dbraw/zinc/18/39/23/184183923.db2.gz KQDPUAQZLZAWFS-NSHDSACASA-N 2 2 308.223 3.695 10 0 DHAELP C[N@H+](Cc1cccc(Br)c1)[C@@H](C[NH3+])CC(C)(C)C ZINC000061839865 184189564 /nfs/dbraw/zinc/18/95/64/184189564.db2.gz IXVQCLHVCSVYKC-CQSZACIVSA-N 2 2 313.283 3.644 10 0 DHAELP C[N@@H+](Cc1cccc(Br)c1)[C@@H](C[NH3+])CC(C)(C)C ZINC000061839865 184189565 /nfs/dbraw/zinc/18/95/65/184189565.db2.gz IXVQCLHVCSVYKC-CQSZACIVSA-N 2 2 313.283 3.644 10 0 DHAELP Cc1ccc([C@H]([NH2+]CCn2cc[nH+]c2)c2ccccc2)c(C)c1 ZINC000194336085 338515101 /nfs/dbraw/zinc/51/51/01/338515101.db2.gz AWKHOVZPCSNCIT-HXUWFJFHSA-N 2 2 305.425 3.879 10 0 DHAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1ccc(Cl)c(C)c1 ZINC000180468239 337174911 /nfs/dbraw/zinc/17/49/11/337174911.db2.gz MFQAHZZFZJJUAB-INIZCTEOSA-N 2 2 303.837 3.818 10 0 DHAELP CC[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1C)c1ccc(Br)cc1 ZINC000222704765 337180217 /nfs/dbraw/zinc/18/02/17/337180217.db2.gz QLZVQOYNPQFXGQ-GJZGRUSLSA-N 2 2 311.267 3.584 10 0 DHAELP CC[C@H]([NH2+]C[C@@H]1CCC[N@H+]1C)c1ccc(Br)cc1 ZINC000222704765 337180218 /nfs/dbraw/zinc/18/02/18/337180218.db2.gz QLZVQOYNPQFXGQ-GJZGRUSLSA-N 2 2 311.267 3.584 10 0 DHAELP CC[N@H+]([C@@H](C[NH3+])c1ccc(Br)o1)C1CCCCC1 ZINC000019259266 182111915 /nfs/dbraw/zinc/11/19/15/182111915.db2.gz RKRIQGUGPHIHJF-LBPRGKRZSA-N 2 2 315.255 3.697 10 0 DHAELP CC[N@@H+]([C@@H](C[NH3+])c1ccc(Br)o1)C1CCCCC1 ZINC000019259266 182111917 /nfs/dbraw/zinc/11/19/17/182111917.db2.gz RKRIQGUGPHIHJF-LBPRGKRZSA-N 2 2 315.255 3.697 10 0 DHAELP CCC[NH+](CCC)[C@@H](C[NH3+])c1ccc(F)c(Br)c1 ZINC000019433631 182123177 /nfs/dbraw/zinc/12/31/77/182123177.db2.gz RKTJCFLRKWLGBW-AWEZNQCLSA-N 2 2 317.246 3.710 10 0 DHAELP C[N@H+]([C@H](C[NH3+])c1ccc(Br)cc1)C1CCCCC1 ZINC000019441227 182123184 /nfs/dbraw/zinc/12/31/84/182123184.db2.gz RMSZSDIYGDAVCA-OAHLLOKOSA-N 2 2 311.267 3.713 10 0 DHAELP C[N@@H+]([C@H](C[NH3+])c1ccc(Br)cc1)C1CCCCC1 ZINC000019441227 182123185 /nfs/dbraw/zinc/12/31/85/182123185.db2.gz RMSZSDIYGDAVCA-OAHLLOKOSA-N 2 2 311.267 3.713 10 0 DHAELP C[N@H+]([C@@H](C[NH3+])c1ccc(Br)cc1)C1CCCCC1 ZINC000019441225 182122909 /nfs/dbraw/zinc/12/29/09/182122909.db2.gz RMSZSDIYGDAVCA-HNNXBMFYSA-N 2 2 311.267 3.713 10 0 DHAELP C[N@@H+]([C@@H](C[NH3+])c1ccc(Br)cc1)C1CCCCC1 ZINC000019441225 182122912 /nfs/dbraw/zinc/12/29/12/182122912.db2.gz RMSZSDIYGDAVCA-HNNXBMFYSA-N 2 2 311.267 3.713 10 0 DHAELP CC1CC[NH+]([C@H](C[NH3+])c2ccc(OCc3ccccc3)cc2)CC1 ZINC000039789208 183021691 /nfs/dbraw/zinc/02/16/91/183021691.db2.gz UYOAZIWOIRHNSA-OAQYLSRUSA-N 2 2 324.468 3.997 10 0 DHAELP CCC(CC)[C@H](C[NH3+])[N@H+](C)Cc1cc(Br)cs1 ZINC000042398488 183264381 /nfs/dbraw/zinc/26/43/81/183264381.db2.gz JJFIDXSPICGVSO-ZDUSSCGKSA-N 2 2 319.312 3.706 10 0 DHAELP CCC(CC)[C@H](C[NH3+])[N@@H+](C)Cc1cc(Br)cs1 ZINC000042398488 183264384 /nfs/dbraw/zinc/26/43/84/183264384.db2.gz JJFIDXSPICGVSO-ZDUSSCGKSA-N 2 2 319.312 3.706 10 0 DHAELP CC(C)C[N@H+]([C@H](C[NH3+])c1ccc(Br)cc1)C1CC1 ZINC000042555918 183284688 /nfs/dbraw/zinc/28/46/88/183284688.db2.gz MCKZAHZXPGESAM-OAHLLOKOSA-N 2 2 311.267 3.569 10 0 DHAELP CC(C)C[N@@H+]([C@H](C[NH3+])c1ccc(Br)cc1)C1CC1 ZINC000042555918 183284691 /nfs/dbraw/zinc/28/46/91/183284691.db2.gz MCKZAHZXPGESAM-OAHLLOKOSA-N 2 2 311.267 3.569 10 0 DHAELP CC(C)[N@H+](CC1CC1)[C@H](C[NH3+])c1ccc(Br)s1 ZINC000042580501 183286161 /nfs/dbraw/zinc/28/61/61/183286161.db2.gz AGQQATWFUOGEBR-LLVKDONJSA-N 2 2 317.296 3.631 10 0 DHAELP CC(C)[N@@H+](CC1CC1)[C@H](C[NH3+])c1ccc(Br)s1 ZINC000042580501 183286162 /nfs/dbraw/zinc/28/61/62/183286162.db2.gz AGQQATWFUOGEBR-LLVKDONJSA-N 2 2 317.296 3.631 10 0 DHAELP CC(C)C[N@H+](C(C)C)[C@@H](C[NH3+])c1ccc(Br)s1 ZINC000042579773 183286363 /nfs/dbraw/zinc/28/63/63/183286363.db2.gz RERQRTIWAJHMRR-NSHDSACASA-N 2 2 319.312 3.877 10 0 DHAELP CC(C)C[N@@H+](C(C)C)[C@@H](C[NH3+])c1ccc(Br)s1 ZINC000042579773 183286366 /nfs/dbraw/zinc/28/63/66/183286366.db2.gz RERQRTIWAJHMRR-NSHDSACASA-N 2 2 319.312 3.877 10 0 DHAELP C[C@H]([N@H+](C)[C@@H](C[NH3+])c1cc(Br)cs1)C(C)(C)C ZINC000042742040 183304618 /nfs/dbraw/zinc/30/46/18/183304618.db2.gz RIVCVJGHXWZIQJ-ONGXEEELSA-N 2 2 319.312 3.877 10 0 DHAELP C[C@H]([N@@H+](C)[C@@H](C[NH3+])c1cc(Br)cs1)C(C)(C)C ZINC000042742040 183304619 /nfs/dbraw/zinc/30/46/19/183304619.db2.gz RIVCVJGHXWZIQJ-ONGXEEELSA-N 2 2 319.312 3.877 10 0 DHAELP CC[C@H]([NH3+])[C@H](c1cccc(Br)c1)[N@H+](CC)C1CC1 ZINC000043020299 183329176 /nfs/dbraw/zinc/32/91/76/183329176.db2.gz DMKBRCXWHYYRSK-GJZGRUSLSA-N 2 2 311.267 3.712 10 0 DHAELP CC[C@H]([NH3+])[C@H](c1cccc(Br)c1)[N@@H+](CC)C1CC1 ZINC000043020299 183329178 /nfs/dbraw/zinc/32/91/78/183329178.db2.gz DMKBRCXWHYYRSK-GJZGRUSLSA-N 2 2 311.267 3.712 10 0 DHAELP CC[N@@H+]1CCC[C@@H]([NH2+][C@@H](C)c2cccc(Br)c2)C1 ZINC000040502154 333353536 /nfs/dbraw/zinc/35/35/36/333353536.db2.gz JSEMKXJIFVYBHZ-SWLSCSKDSA-N 2 2 311.267 3.584 10 0 DHAELP CC[N@H+]1CCC[C@@H]([NH2+][C@@H](C)c2cccc(Br)c2)C1 ZINC000040502154 333353537 /nfs/dbraw/zinc/35/35/37/333353537.db2.gz JSEMKXJIFVYBHZ-SWLSCSKDSA-N 2 2 311.267 3.584 10 0 DHAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1ccccc1C(F)(F)F ZINC000178312384 337163825 /nfs/dbraw/zinc/16/38/25/337163825.db2.gz TYUHYSGYKVAWIX-OAHLLOKOSA-N 2 2 323.362 3.875 10 0 DHAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1ccccc1C(F)(F)F ZINC000178312384 337163826 /nfs/dbraw/zinc/16/38/26/337163826.db2.gz TYUHYSGYKVAWIX-OAHLLOKOSA-N 2 2 323.362 3.875 10 0 DHAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1ccc(Cl)c(C)c1 ZINC000180468217 337174817 /nfs/dbraw/zinc/17/48/17/337174817.db2.gz MFQAHZZFZJJUAB-MRXNPFEDSA-N 2 2 303.837 3.818 10 0 DHAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+]([C@@H](C)c2nc3ccccc3o2)C1 ZINC000181101697 337179935 /nfs/dbraw/zinc/17/99/35/337179935.db2.gz DOTHRXKMTYIKNV-GJZGRUSLSA-N 2 2 324.428 3.985 10 0 DHAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+]([C@@H](C)c2nc3ccccc3o2)C1 ZINC000181101697 337179936 /nfs/dbraw/zinc/17/99/36/337179936.db2.gz DOTHRXKMTYIKNV-GJZGRUSLSA-N 2 2 324.428 3.985 10 0 DHAELP C[C@@H]1C[C@H]([NH2+][C@H]2CC(C)(C)Oc3ccccc32)C[N@@H+]1C1CC1 ZINC000246841488 341357663 /nfs/dbraw/zinc/35/76/63/341357663.db2.gz BONASZHZPWLBLR-KEYYUXOJSA-N 2 2 300.446 3.504 10 0 DHAELP C[C@@H]1C[C@H]([NH2+][C@H]2CC(C)(C)Oc3ccccc32)C[N@H+]1C1CC1 ZINC000246841488 341357664 /nfs/dbraw/zinc/35/76/64/341357664.db2.gz BONASZHZPWLBLR-KEYYUXOJSA-N 2 2 300.446 3.504 10 0 DHAELP CC(C)c1csc([C@H]2CCC[N@H+](CCCn3cc[nH+]c3)C2)n1 ZINC000182797716 519857445 /nfs/dbraw/zinc/85/74/45/519857445.db2.gz HMHKGHKTEBUZKU-HNNXBMFYSA-N 2 2 318.490 3.733 10 0 DHAELP CC(C)c1csc([C@H]2CCC[N@@H+](CCCn3cc[nH+]c3)C2)n1 ZINC000182797716 519857447 /nfs/dbraw/zinc/85/74/47/519857447.db2.gz HMHKGHKTEBUZKU-HNNXBMFYSA-N 2 2 318.490 3.733 10 0 DHAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+]([C@@H](C)c2ccc(F)cc2)C1 ZINC000106212139 522596534 /nfs/dbraw/zinc/59/65/34/522596534.db2.gz BUXPTWCGURBUBR-WMLDXEAASA-N 2 2 301.409 3.983 10 0 DHAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+]([C@@H](C)c2ccc(F)cc2)C1 ZINC000106212139 522596546 /nfs/dbraw/zinc/59/65/46/522596546.db2.gz BUXPTWCGURBUBR-WMLDXEAASA-N 2 2 301.409 3.983 10 0 DHAELP C[C@H](c1nc2ccccc2o1)[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000181117644 526181214 /nfs/dbraw/zinc/18/12/14/526181214.db2.gz MHQZGOHTHNHDEL-HUUCEWRRSA-N 2 2 322.412 3.718 10 0 DHAELP C[C@H](c1nc2ccccc2o1)[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000181117644 526181221 /nfs/dbraw/zinc/18/12/21/526181221.db2.gz MHQZGOHTHNHDEL-HUUCEWRRSA-N 2 2 322.412 3.718 10 0 DHAELP Cc1nc(C[NH2+][C@H](C)c2cccc(-n3cc[nH+]c3)c2)sc1C ZINC000189885206 526892751 /nfs/dbraw/zinc/89/27/51/526892751.db2.gz OPTJXWKAGRIPPY-CYBMUJFWSA-N 2 2 312.442 3.796 10 0 DHAELP CC[N@H+]([C@H](C[NH3+])c1ccc(Br)o1)C1CCCCC1 ZINC000019259268 182111887 /nfs/dbraw/zinc/11/18/87/182111887.db2.gz RKRIQGUGPHIHJF-GFCCVEGCSA-N 2 2 315.255 3.697 10 0 DHAELP CC[N@@H+]([C@H](C[NH3+])c1ccc(Br)o1)C1CCCCC1 ZINC000019259268 182111888 /nfs/dbraw/zinc/11/18/88/182111888.db2.gz RKRIQGUGPHIHJF-GFCCVEGCSA-N 2 2 315.255 3.697 10 0 DHAELP CCC[NH+](CCC)[C@@H](C[NH3+])c1ccc(Br)s1 ZINC000019393089 182120595 /nfs/dbraw/zinc/12/05/95/182120595.db2.gz JKXOPCJGLHFTKD-JTQLQIEISA-N 2 2 305.285 3.632 10 0 DHAELP C[N@H+](Cc1csc(Br)c1)[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000042363398 183258815 /nfs/dbraw/zinc/25/88/15/183258815.db2.gz KCYLUZJLKIWXSA-NWDGAFQWSA-N 2 2 317.296 3.602 10 0 DHAELP C[N@@H+](Cc1csc(Br)c1)[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000042363398 183258818 /nfs/dbraw/zinc/25/88/18/183258818.db2.gz KCYLUZJLKIWXSA-NWDGAFQWSA-N 2 2 317.296 3.602 10 0 DHAELP C[C@H]1CCCC[C@@H]1[N@H+](C)[C@@H](C[NH3+])c1ccc(Br)o1 ZINC000042607000 183290557 /nfs/dbraw/zinc/29/05/57/183290557.db2.gz LDFNWSABLSXDEX-SRVKXCTJSA-N 2 2 315.255 3.552 10 0 DHAELP C[C@H]1CCCC[C@@H]1[N@@H+](C)[C@@H](C[NH3+])c1ccc(Br)o1 ZINC000042607000 183290559 /nfs/dbraw/zinc/29/05/59/183290559.db2.gz LDFNWSABLSXDEX-SRVKXCTJSA-N 2 2 315.255 3.552 10 0 DHAELP CC[C@H]([NH3+])[C@H](c1ccc(Br)cc1)[N@H+](CC)C1CC1 ZINC000042952777 183321927 /nfs/dbraw/zinc/32/19/27/183321927.db2.gz CENHFVVZCLPKTI-GJZGRUSLSA-N 2 2 311.267 3.712 10 0 DHAELP CC[C@H]([NH3+])[C@H](c1ccc(Br)cc1)[N@@H+](CC)C1CC1 ZINC000042952777 183321929 /nfs/dbraw/zinc/32/19/29/183321929.db2.gz CENHFVVZCLPKTI-GJZGRUSLSA-N 2 2 311.267 3.712 10 0 DHAELP CC[C@H]([NH3+])[C@@H](c1cccc(Br)c1)[N@@H+]1CC[C@H](C)C1 ZINC000043021085 183329713 /nfs/dbraw/zinc/32/97/13/183329713.db2.gz JJZHDSVYZBGCBU-TUKIKUTGSA-N 2 2 311.267 3.569 10 0 DHAELP CC[C@H]([NH3+])[C@@H](c1cccc(Br)c1)[N@H+]1CC[C@H](C)C1 ZINC000043021085 183329714 /nfs/dbraw/zinc/32/97/14/183329714.db2.gz JJZHDSVYZBGCBU-TUKIKUTGSA-N 2 2 311.267 3.569 10 0 DHAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](Cc2ccc(F)c(F)c2)C1 ZINC000106216170 194191457 /nfs/dbraw/zinc/19/14/57/194191457.db2.gz KRGXIVPKULUQSX-AWEZNQCLSA-N 2 2 305.372 3.561 10 0 DHAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](Cc2ccc(F)c(F)c2)C1 ZINC000106216170 194191459 /nfs/dbraw/zinc/19/14/59/194191459.db2.gz KRGXIVPKULUQSX-AWEZNQCLSA-N 2 2 305.372 3.561 10 0 DHAELP CCc1cc(N[C@H](C)c2cccc(-n3cc[nH+]c3)c2)nc(C)[nH+]1 ZINC000302127334 336349814 /nfs/dbraw/zinc/34/98/14/336349814.db2.gz ZYOFZPXXCLMKFA-CYBMUJFWSA-N 2 2 307.401 3.706 10 0 DHAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](Cc2ccc(Cl)s2)C1 ZINC000171524367 337087816 /nfs/dbraw/zinc/08/78/16/337087816.db2.gz OLGPZZWAJMMMSO-LBPRGKRZSA-N 2 2 309.866 3.998 10 0 DHAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](Cc2ccc(Cl)s2)C1 ZINC000171524367 337087817 /nfs/dbraw/zinc/08/78/17/337087817.db2.gz OLGPZZWAJMMMSO-LBPRGKRZSA-N 2 2 309.866 3.998 10 0 DHAELP CC[C@@H]([NH2+]C[C@H]1CCC[N@H+]1C)c1cccc(Br)c1 ZINC000222702629 337180252 /nfs/dbraw/zinc/18/02/52/337180252.db2.gz MUJWBCQRIQUCAF-HUUCEWRRSA-N 2 2 311.267 3.584 10 0 DHAELP CC[C@@H]([NH2+]C[C@H]1CCC[N@@H+]1C)c1cccc(Br)c1 ZINC000222702629 337180251 /nfs/dbraw/zinc/18/02/51/337180251.db2.gz MUJWBCQRIQUCAF-HUUCEWRRSA-N 2 2 311.267 3.584 10 0 DHAELP C[C@@H]([NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1)c1cccc(O)c1 ZINC000194904737 338776376 /nfs/dbraw/zinc/77/63/76/338776376.db2.gz XKTDWBWULSZPOK-LSDHHAIUSA-N 2 2 307.397 3.990 10 0 DHAELP c1ccc(NC[C@@H]2CC[N@@H+]([C@@H]3CCCc4ccccc43)C2)[nH+]c1 ZINC000246068605 341323619 /nfs/dbraw/zinc/32/36/19/341323619.db2.gz BHGQKBYVLQHZQG-QFBILLFUSA-N 2 2 307.441 3.893 10 0 DHAELP c1ccc(NC[C@@H]2CC[N@H+]([C@@H]3CCCc4ccccc43)C2)[nH+]c1 ZINC000246068605 341323620 /nfs/dbraw/zinc/32/36/20/341323620.db2.gz BHGQKBYVLQHZQG-QFBILLFUSA-N 2 2 307.441 3.893 10 0 DHAELP C[NH+]1CCC([NH2+][C@H]2CC3(CCCC3)Oc3ccccc32)CC1 ZINC000161517650 523778750 /nfs/dbraw/zinc/77/87/50/523778750.db2.gz OUJJAFZHURBLAE-KRWDZBQOSA-N 2 2 300.446 3.507 10 0 DHAELP Cc1cccc(NC[C@H]2CC[N@H+](Cc3cccc(F)c3F)C2)[nH+]1 ZINC000103474019 524682580 /nfs/dbraw/zinc/68/25/80/524682580.db2.gz DCWOQRLYORJBRB-CQSZACIVSA-N 2 2 317.383 3.602 10 0 DHAELP Cc1cccc(NC[C@H]2CC[N@@H+](Cc3cccc(F)c3F)C2)[nH+]1 ZINC000103474019 524682592 /nfs/dbraw/zinc/68/25/92/524682592.db2.gz DCWOQRLYORJBRB-CQSZACIVSA-N 2 2 317.383 3.602 10 0 DHAELP Cc1cccc([C@@H](Cn2cc[nH+]c2-c2cccc(O)c2)[NH+](C)C)c1 ZINC000072408893 191153328 /nfs/dbraw/zinc/15/33/28/191153328.db2.gz RDIZRHJVFODWDV-LJQANCHMSA-N 2 2 321.424 3.867 10 0 DHAELP CCC[NH+](CCC)[C@H](C[NH3+])c1ccc(Br)s1 ZINC000019393091 182121097 /nfs/dbraw/zinc/12/10/97/182121097.db2.gz JKXOPCJGLHFTKD-SNVBAGLBSA-N 2 2 305.285 3.632 10 0 DHAELP C[N@H+]([C@@H](C[NH3+])c1cccc(Br)c1)C1CCCCC1 ZINC000019516696 182127369 /nfs/dbraw/zinc/12/73/69/182127369.db2.gz KGEMJHYQFCJGIZ-HNNXBMFYSA-N 2 2 311.267 3.713 10 0 DHAELP C[N@@H+]([C@@H](C[NH3+])c1cccc(Br)c1)C1CCCCC1 ZINC000019516696 182127370 /nfs/dbraw/zinc/12/73/70/182127370.db2.gz KGEMJHYQFCJGIZ-HNNXBMFYSA-N 2 2 311.267 3.713 10 0 DHAELP C[N@H+]([C@H](C[NH3+])c1ccccc1C(F)(F)F)C1CCCCC1 ZINC000020081712 182185443 /nfs/dbraw/zinc/18/54/43/182185443.db2.gz KFLFKWVVXNXUOQ-OAHLLOKOSA-N 2 2 300.368 3.970 10 0 DHAELP C[N@@H+]([C@H](C[NH3+])c1ccccc1C(F)(F)F)C1CCCCC1 ZINC000020081712 182185446 /nfs/dbraw/zinc/18/54/46/182185446.db2.gz KFLFKWVVXNXUOQ-OAHLLOKOSA-N 2 2 300.368 3.970 10 0 DHAELP Cc1ccc(COc2ccccc2C[NH2+]CCC[NH+](C)C)cc1 ZINC000020873631 182250787 /nfs/dbraw/zinc/25/07/87/182250787.db2.gz SHCYYUCPXQAHQY-UHFFFAOYSA-N 2 2 312.457 3.615 10 0 DHAELP CCCCC[N@H+](C(C)C)[C@H](C[NH3+])c1ccc(Br)o1 ZINC000042555095 183284234 /nfs/dbraw/zinc/28/42/34/183284234.db2.gz SLFFKSFJKPLGRD-GFCCVEGCSA-N 2 2 317.271 3.943 10 0 DHAELP CCCCC[N@@H+](C(C)C)[C@H](C[NH3+])c1ccc(Br)o1 ZINC000042555095 183284235 /nfs/dbraw/zinc/28/42/35/183284235.db2.gz SLFFKSFJKPLGRD-GFCCVEGCSA-N 2 2 317.271 3.943 10 0 DHAELP CC(C)C[C@@H](C)[N@H+](C)[C@@H](C[NH3+])c1cccc(Br)c1 ZINC000042563518 183285396 /nfs/dbraw/zinc/28/53/96/183285396.db2.gz SRQOLQZZAOQNSX-DOMZBBRYSA-N 2 2 313.283 3.815 10 0 DHAELP CC(C)C[C@@H](C)[N@@H+](C)[C@@H](C[NH3+])c1cccc(Br)c1 ZINC000042563518 183285397 /nfs/dbraw/zinc/28/53/97/183285397.db2.gz SRQOLQZZAOQNSX-DOMZBBRYSA-N 2 2 313.283 3.815 10 0 DHAELP CCC[N@H+]([C@@H](c1cccc(Br)c1)[C@@H](C)[NH3+])C1CC1 ZINC000043020359 183328710 /nfs/dbraw/zinc/32/87/10/183328710.db2.gz KSAYXUPJZIEVLU-IAQYHMDHSA-N 2 2 311.267 3.712 10 0 DHAELP CCC[N@@H+]([C@@H](c1cccc(Br)c1)[C@@H](C)[NH3+])C1CC1 ZINC000043020359 183328711 /nfs/dbraw/zinc/32/87/11/183328711.db2.gz KSAYXUPJZIEVLU-IAQYHMDHSA-N 2 2 311.267 3.712 10 0 DHAELP CC[C@H]([NH3+])[C@@H](c1cccc(Br)c1)[N@@H+]1CCC[C@@H]1C ZINC000043021028 183329402 /nfs/dbraw/zinc/32/94/02/183329402.db2.gz ILIMWBRAZWUPAK-TUKIKUTGSA-N 2 2 311.267 3.712 10 0 DHAELP CC[C@H]([NH3+])[C@@H](c1cccc(Br)c1)[N@H+]1CCC[C@@H]1C ZINC000043021028 183329404 /nfs/dbraw/zinc/32/94/04/183329404.db2.gz ILIMWBRAZWUPAK-TUKIKUTGSA-N 2 2 311.267 3.712 10 0 DHAELP CC(C)CC[N@H+](C)[C@@H](c1cccc(Br)c1)[C@@H](C)[NH3+] ZINC000043021228 183329536 /nfs/dbraw/zinc/32/95/36/183329536.db2.gz DFEZPEUWZVCDOX-IUODEOHRSA-N 2 2 313.283 3.815 10 0 DHAELP CC(C)CC[N@@H+](C)[C@@H](c1cccc(Br)c1)[C@@H](C)[NH3+] ZINC000043021228 183329538 /nfs/dbraw/zinc/32/95/38/183329538.db2.gz DFEZPEUWZVCDOX-IUODEOHRSA-N 2 2 313.283 3.815 10 0 DHAELP C[C@H]([NH3+])[C@@H](c1ccccc1Br)[N@H+](C)C1CCCC1 ZINC000043091257 183335994 /nfs/dbraw/zinc/33/59/94/183335994.db2.gz NWQPBUXFCIDTLM-NHYWBVRUSA-N 2 2 311.267 3.712 10 0 DHAELP C[C@H]([NH3+])[C@@H](c1ccccc1Br)[N@@H+](C)C1CCCC1 ZINC000043091257 183335996 /nfs/dbraw/zinc/33/59/96/183335996.db2.gz NWQPBUXFCIDTLM-NHYWBVRUSA-N 2 2 311.267 3.712 10 0 DHAELP CCC(CC)[N@H+](C)[C@H](c1ccccc1Br)[C@@H](C)[NH3+] ZINC000043091752 183336090 /nfs/dbraw/zinc/33/60/90/183336090.db2.gz XRGMCVCEDLUMHW-ABAIWWIYSA-N 2 2 313.283 3.958 10 0 DHAELP CCC(CC)[N@@H+](C)[C@H](c1ccccc1Br)[C@@H](C)[NH3+] ZINC000043091752 183336093 /nfs/dbraw/zinc/33/60/93/183336093.db2.gz XRGMCVCEDLUMHW-ABAIWWIYSA-N 2 2 313.283 3.958 10 0 DHAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2cccc(F)c2F)C1 ZINC000106215279 194188981 /nfs/dbraw/zinc/18/89/81/194188981.db2.gz VRBRPPNKANTVDA-CQSZACIVSA-N 2 2 305.372 3.561 10 0 DHAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2cccc(F)c2F)C1 ZINC000106215279 194188982 /nfs/dbraw/zinc/18/89/82/194188982.db2.gz VRBRPPNKANTVDA-CQSZACIVSA-N 2 2 305.372 3.561 10 0 DHAELP Cc1ncsc1C[N@H+](C)C[C@@H]1CC[NH+](CCC(C)(C)C)C1 ZINC000188648205 333051125 /nfs/dbraw/zinc/05/11/25/333051125.db2.gz USPMXLYZHRHEKM-HNNXBMFYSA-N 2 2 309.523 3.641 10 0 DHAELP Cc1ncsc1C[N@@H+](C)C[C@@H]1CC[NH+](CCC(C)(C)C)C1 ZINC000188648205 333051126 /nfs/dbraw/zinc/05/11/26/333051126.db2.gz USPMXLYZHRHEKM-HNNXBMFYSA-N 2 2 309.523 3.641 10 0 DHAELP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@H+](CCC(C)(C)C)C1 ZINC000188648205 333051127 /nfs/dbraw/zinc/05/11/27/333051127.db2.gz USPMXLYZHRHEKM-HNNXBMFYSA-N 2 2 309.523 3.641 10 0 DHAELP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@@H+](CCC(C)(C)C)C1 ZINC000188648205 333051129 /nfs/dbraw/zinc/05/11/29/333051129.db2.gz USPMXLYZHRHEKM-HNNXBMFYSA-N 2 2 309.523 3.641 10 0 DHAELP c1cn(CCC[NH2+]C2c3ccccc3CCc3ccccc32)c[nH+]1 ZINC000179964065 337172767 /nfs/dbraw/zinc/17/27/67/337172767.db2.gz OQCJTPMHUYMZMS-UHFFFAOYSA-N 2 2 317.436 3.751 10 0 DHAELP C[C@@H]([NH2+]CCCc1[nH+]c2ccccc2n1C)C1CCSCC1 ZINC000187348648 337264227 /nfs/dbraw/zinc/26/42/27/337264227.db2.gz WZNNYIKUQOAWAP-CQSZACIVSA-N 2 2 317.502 3.627 10 0 DHAELP Fc1ccc(CCn2c[nH+]cc2-c2cccc3c2C[NH2+]C3)cc1 ZINC000584619503 337373896 /nfs/dbraw/zinc/37/38/96/337373896.db2.gz TUTZHBMGPDQCNB-UHFFFAOYSA-N 2 2 307.372 3.535 10 0 DHAELP CC[N@@H+]1CCC[C@H]([NH2+][C@@H](C)[C@H](C)c2nc3ccccc3s2)C1 ZINC000247010243 341359876 /nfs/dbraw/zinc/35/98/76/341359876.db2.gz LDLFFURGAFXKAU-KKUMJFAQSA-N 2 2 317.502 3.862 10 0 DHAELP CC[N@H+]1CCC[C@H]([NH2+][C@@H](C)[C@H](C)c2nc3ccccc3s2)C1 ZINC000247010243 341359877 /nfs/dbraw/zinc/35/98/77/341359877.db2.gz LDLFFURGAFXKAU-KKUMJFAQSA-N 2 2 317.502 3.862 10 0 DHAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1cccc(Cl)c1F ZINC000180132044 527450390 /nfs/dbraw/zinc/45/03/90/527450390.db2.gz UHGDXASAJHORBN-CQSZACIVSA-N 2 2 307.800 3.649 10 0 DHAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1cccc(Cl)c1F ZINC000180132044 527450395 /nfs/dbraw/zinc/45/03/95/527450395.db2.gz UHGDXASAJHORBN-CQSZACIVSA-N 2 2 307.800 3.649 10 0 DHAELP C[N@H+]([C@H](C[NH3+])c1cccc(Br)c1)C1CCCCC1 ZINC000019516698 182127528 /nfs/dbraw/zinc/12/75/28/182127528.db2.gz KGEMJHYQFCJGIZ-OAHLLOKOSA-N 2 2 311.267 3.713 10 0 DHAELP C[N@@H+]([C@H](C[NH3+])c1cccc(Br)c1)C1CCCCC1 ZINC000019516698 182127529 /nfs/dbraw/zinc/12/75/29/182127529.db2.gz KGEMJHYQFCJGIZ-OAHLLOKOSA-N 2 2 311.267 3.713 10 0 DHAELP CC[N@H+](Cc1ccccc1)[C@H](C[NH3+])c1ccc(OC(C)C)cc1 ZINC000020226565 182198889 /nfs/dbraw/zinc/19/88/89/182198889.db2.gz MSMNNIXFWOBVCW-HXUWFJFHSA-N 2 2 312.457 3.996 10 0 DHAELP CC[N@@H+](Cc1ccccc1)[C@H](C[NH3+])c1ccc(OC(C)C)cc1 ZINC000020226565 182198890 /nfs/dbraw/zinc/19/88/90/182198890.db2.gz MSMNNIXFWOBVCW-HXUWFJFHSA-N 2 2 312.457 3.996 10 0 DHAELP C[N@H+](Cc1cc(Br)cs1)CC1([NH3+])CCCCC1 ZINC000042402495 183264726 /nfs/dbraw/zinc/26/47/26/183264726.db2.gz QVMYGVYJFGOWIP-UHFFFAOYSA-N 2 2 317.296 3.604 10 0 DHAELP C[N@@H+](Cc1cc(Br)cs1)CC1([NH3+])CCCCC1 ZINC000042402495 183264728 /nfs/dbraw/zinc/26/47/28/183264728.db2.gz QVMYGVYJFGOWIP-UHFFFAOYSA-N 2 2 317.296 3.604 10 0 DHAELP C[N@H+](Cc1csc(Br)c1)C1(C[NH3+])CCCCC1 ZINC000042361231 183257787 /nfs/dbraw/zinc/25/77/87/183257787.db2.gz VTJGAKHVYWKWJJ-UHFFFAOYSA-N 2 2 317.296 3.604 10 0 DHAELP C[N@@H+](Cc1csc(Br)c1)C1(C[NH3+])CCCCC1 ZINC000042361231 183257789 /nfs/dbraw/zinc/25/77/89/183257789.db2.gz VTJGAKHVYWKWJJ-UHFFFAOYSA-N 2 2 317.296 3.604 10 0 DHAELP CC(C)C[N@H+]([C@H](C[NH3+])c1cccc(Br)c1)C1CC1 ZINC000042555135 183284308 /nfs/dbraw/zinc/28/43/08/183284308.db2.gz CFQJLJWBGZTIBV-OAHLLOKOSA-N 2 2 311.267 3.569 10 0 DHAELP CC(C)C[N@@H+]([C@H](C[NH3+])c1cccc(Br)c1)C1CC1 ZINC000042555135 183284309 /nfs/dbraw/zinc/28/43/09/183284309.db2.gz CFQJLJWBGZTIBV-OAHLLOKOSA-N 2 2 311.267 3.569 10 0 DHAELP C[C@H]1CCCC[C@H]1[N@H+](C)[C@@H](C[NH3+])c1ccc(Br)o1 ZINC000042607002 183290361 /nfs/dbraw/zinc/29/03/61/183290361.db2.gz LDFNWSABLSXDEX-TUAOUCFPSA-N 2 2 315.255 3.552 10 0 DHAELP C[C@H]1CCCC[C@H]1[N@@H+](C)[C@@H](C[NH3+])c1ccc(Br)o1 ZINC000042607002 183290363 /nfs/dbraw/zinc/29/03/63/183290363.db2.gz LDFNWSABLSXDEX-TUAOUCFPSA-N 2 2 315.255 3.552 10 0 DHAELP CCCC[N@H+](C)[C@@H](c1cccc(Br)c1)[C@H]([NH3+])CC ZINC000043020132 183328626 /nfs/dbraw/zinc/32/86/26/183328626.db2.gz RZKNSIFJTISEQD-CABCVRRESA-N 2 2 313.283 3.959 10 0 DHAELP CCCC[N@@H+](C)[C@@H](c1cccc(Br)c1)[C@H]([NH3+])CC ZINC000043020132 183328627 /nfs/dbraw/zinc/32/86/27/183328627.db2.gz RZKNSIFJTISEQD-CABCVRRESA-N 2 2 313.283 3.959 10 0 DHAELP CC[C@H]([NH3+])[C@H](c1ccccc1Br)[N@@H+]1CC[C@H](C)C1 ZINC000043092488 183335603 /nfs/dbraw/zinc/33/56/03/183335603.db2.gz HJUYUVIZFXZLEA-CQDKDKBSSA-N 2 2 311.267 3.569 10 0 DHAELP CC[C@H]([NH3+])[C@H](c1ccccc1Br)[N@H+]1CC[C@H](C)C1 ZINC000043092488 183335604 /nfs/dbraw/zinc/33/56/04/183335604.db2.gz HJUYUVIZFXZLEA-CQDKDKBSSA-N 2 2 311.267 3.569 10 0 DHAELP C[C@@H]([NH3+])[C@H](c1ccccc1Br)[NH+]1CCCCCC1 ZINC000043090480 183335905 /nfs/dbraw/zinc/33/59/05/183335905.db2.gz BSDPHXQRYOIWOU-IUODEOHRSA-N 2 2 311.267 3.713 10 0 DHAELP CC[C@H](C)[N@H+](CC)[C@@H](c1ccccc1Br)[C@@H](C)[NH3+] ZINC000043091378 183336206 /nfs/dbraw/zinc/33/62/06/183336206.db2.gz DYZFBHNTBKJHPD-YWPYICTPSA-N 2 2 313.283 3.958 10 0 DHAELP CC[C@H](C)[N@@H+](CC)[C@@H](c1ccccc1Br)[C@@H](C)[NH3+] ZINC000043091378 183336209 /nfs/dbraw/zinc/33/62/09/183336209.db2.gz DYZFBHNTBKJHPD-YWPYICTPSA-N 2 2 313.283 3.958 10 0 DHAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2ccc(C)c(OC)c2)C1 ZINC000193916605 337080546 /nfs/dbraw/zinc/08/05/46/337080546.db2.gz YQQHJPMJOCQZKC-QGZVFWFLSA-N 2 2 313.445 3.600 10 0 DHAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2ccc(C)c(OC)c2)C1 ZINC000193916605 337080547 /nfs/dbraw/zinc/08/05/47/337080547.db2.gz YQQHJPMJOCQZKC-QGZVFWFLSA-N 2 2 313.445 3.600 10 0 DHAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CCCOc2ccccc2)C1 ZINC000171523902 337087699 /nfs/dbraw/zinc/08/76/99/337087699.db2.gz GDTQAFUNPKXTFR-KRWDZBQOSA-N 2 2 313.445 3.552 10 0 DHAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CCCOc2ccccc2)C1 ZINC000171523902 337087700 /nfs/dbraw/zinc/08/77/00/337087700.db2.gz GDTQAFUNPKXTFR-KRWDZBQOSA-N 2 2 313.445 3.552 10 0 DHAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](Cc2cccc(Cl)c2)C1 ZINC000171521411 337087715 /nfs/dbraw/zinc/08/77/15/337087715.db2.gz QIHVOHVFNOSAAK-INIZCTEOSA-N 2 2 303.837 3.936 10 0 DHAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](Cc2cccc(Cl)c2)C1 ZINC000171521411 337087716 /nfs/dbraw/zinc/08/77/16/337087716.db2.gz QIHVOHVFNOSAAK-INIZCTEOSA-N 2 2 303.837 3.936 10 0 DHAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+]([C@@H](C)c2cccc(OC)c2)C1 ZINC000175652996 337146861 /nfs/dbraw/zinc/14/68/61/337146861.db2.gz RAOISCDPFZCWFZ-RDJZCZTQSA-N 2 2 313.445 3.852 10 0 DHAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+]([C@@H](C)c2cccc(OC)c2)C1 ZINC000175652996 337146862 /nfs/dbraw/zinc/14/68/62/337146862.db2.gz RAOISCDPFZCWFZ-RDJZCZTQSA-N 2 2 313.445 3.852 10 0 DHAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1ccccc1C(F)(F)F ZINC000178312372 337163792 /nfs/dbraw/zinc/16/37/92/337163792.db2.gz TYUHYSGYKVAWIX-HNNXBMFYSA-N 2 2 323.362 3.875 10 0 DHAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1ccccc1C(F)(F)F ZINC000178312372 337163793 /nfs/dbraw/zinc/16/37/93/337163793.db2.gz TYUHYSGYKVAWIX-HNNXBMFYSA-N 2 2 323.362 3.875 10 0 DHAELP CC[C@@H]([NH2+]C[C@@H]1CCC[N@@H+]1C)c1ccc(Br)cc1 ZINC000222704716 337180214 /nfs/dbraw/zinc/18/02/14/337180214.db2.gz QLZVQOYNPQFXGQ-LSDHHAIUSA-N 2 2 311.267 3.584 10 0 DHAELP CC[C@@H]([NH2+]C[C@@H]1CCC[N@H+]1C)c1ccc(Br)cc1 ZINC000222704716 337180215 /nfs/dbraw/zinc/18/02/15/337180215.db2.gz QLZVQOYNPQFXGQ-LSDHHAIUSA-N 2 2 311.267 3.584 10 0 DHAELP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000191869669 337301805 /nfs/dbraw/zinc/30/18/05/337301805.db2.gz UFIQZGQHONJXLQ-HNNXBMFYSA-N 2 2 323.362 3.955 10 0 DHAELP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000191869669 337301806 /nfs/dbraw/zinc/30/18/06/337301806.db2.gz UFIQZGQHONJXLQ-HNNXBMFYSA-N 2 2 323.362 3.955 10 0 DHAELP C[C@@H]([NH3+])c1ccccc1-c1c[nH+]cn1CCc1ccc(F)cc1 ZINC000584595196 337373890 /nfs/dbraw/zinc/37/38/90/337373890.db2.gz NSSOKDHYSWMURR-CQSZACIVSA-N 2 2 309.388 3.952 10 0 DHAELP C[C@H](c1ccc(F)cc1F)[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000246162953 341330674 /nfs/dbraw/zinc/33/06/74/341330674.db2.gz RAOVBHHSXQENBV-KGLIPLIRSA-N 2 2 317.383 3.855 10 0 DHAELP C[C@H](c1ccc(F)cc1F)[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000246162953 341330675 /nfs/dbraw/zinc/33/06/75/341330675.db2.gz RAOVBHHSXQENBV-KGLIPLIRSA-N 2 2 317.383 3.855 10 0 DHAELP CCc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)Cc3cccnc3)C2)cc1 ZINC000190488136 523928715 /nfs/dbraw/zinc/92/87/15/523928715.db2.gz YJGYYFHITOMRGV-OAQYLSRUSA-N 2 2 323.484 3.598 10 0 DHAELP CCc1ccc(C[N@H+]2CC[C@H](C[NH+](C)Cc3cccnc3)C2)cc1 ZINC000190488136 523928720 /nfs/dbraw/zinc/92/87/20/523928720.db2.gz YJGYYFHITOMRGV-OAQYLSRUSA-N 2 2 323.484 3.598 10 0 DHAELP CCc1ccc(C[NH+]2CC[C@H](C[N@H+](C)Cc3cccnc3)C2)cc1 ZINC000190488136 523928725 /nfs/dbraw/zinc/92/87/25/523928725.db2.gz YJGYYFHITOMRGV-OAQYLSRUSA-N 2 2 323.484 3.598 10 0 DHAELP CCc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)Cc3cccnc3)C2)cc1 ZINC000190488136 523928730 /nfs/dbraw/zinc/92/87/30/523928730.db2.gz YJGYYFHITOMRGV-OAQYLSRUSA-N 2 2 323.484 3.598 10 0 DHAELP C[C@@H](c1nc2ccccc2o1)[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000181117627 526176643 /nfs/dbraw/zinc/17/66/43/526176643.db2.gz MHQZGOHTHNHDEL-LSDHHAIUSA-N 2 2 322.412 3.718 10 0 DHAELP C[C@@H](c1nc2ccccc2o1)[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000181117627 526176654 /nfs/dbraw/zinc/17/66/54/526176654.db2.gz MHQZGOHTHNHDEL-LSDHHAIUSA-N 2 2 322.412 3.718 10 0 DHAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1cc(Cl)ccc1F ZINC000180129897 527449409 /nfs/dbraw/zinc/44/94/09/527449409.db2.gz OAIBYXFAYMYYGQ-OAHLLOKOSA-N 2 2 307.800 3.649 10 0 DHAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1cc(Cl)ccc1F ZINC000180129897 527449416 /nfs/dbraw/zinc/44/94/16/527449416.db2.gz OAIBYXFAYMYYGQ-OAHLLOKOSA-N 2 2 307.800 3.649 10 0 DHAELP C[N@H+]([C@@H](C[NH3+])c1ccc(Br)s1)C1CCCCC1 ZINC000019407408 182121295 /nfs/dbraw/zinc/12/12/95/182121295.db2.gz IPXLLEOYPXYXDO-NSHDSACASA-N 2 2 317.296 3.775 10 0 DHAELP C[N@@H+]([C@@H](C[NH3+])c1ccc(Br)s1)C1CCCCC1 ZINC000019407408 182121296 /nfs/dbraw/zinc/12/12/96/182121296.db2.gz IPXLLEOYPXYXDO-NSHDSACASA-N 2 2 317.296 3.775 10 0 DHAELP [NH3+]C[C@H](c1ccccc1Br)[NH+]1CCCCCCC1 ZINC000020265358 182201329 /nfs/dbraw/zinc/20/13/29/182201329.db2.gz HPVONFLUXRJJAT-OAHLLOKOSA-N 2 2 311.267 3.715 10 0 DHAELP CCOc1ccc2ccccc2c1C[NH2+]C[C@@H]1CCC[N@@H+]1CC ZINC000022936468 182342452 /nfs/dbraw/zinc/34/24/52/182342452.db2.gz PNGSDPIUNIBQKF-KRWDZBQOSA-N 2 2 312.457 3.812 10 0 DHAELP CCOc1ccc2ccccc2c1C[NH2+]C[C@@H]1CCC[N@H+]1CC ZINC000022936468 182342456 /nfs/dbraw/zinc/34/24/56/182342456.db2.gz PNGSDPIUNIBQKF-KRWDZBQOSA-N 2 2 312.457 3.812 10 0 DHAELP [NH3+]CCc1c[nH+]c(CCC(c2ccccc2)c2ccccc2)[nH]1 ZINC000038881558 183012068 /nfs/dbraw/zinc/01/20/68/183012068.db2.gz BPZGZNLONLANFE-UHFFFAOYSA-N 2 2 305.425 3.676 10 0 in-vitro DHAELP [NH3+]CCc1c[nH]c(CCC(c2ccccc2)c2ccccc2)[nH+]1 ZINC000038881558 183012070 /nfs/dbraw/zinc/01/20/70/183012070.db2.gz BPZGZNLONLANFE-UHFFFAOYSA-N 2 2 305.425 3.676 10 0 in-vitro DHAELP CC(C)C[N@H+]([C@H](C[NH3+])c1ccc(Br)s1)C1CC1 ZINC000042555296 183283817 /nfs/dbraw/zinc/28/38/17/183283817.db2.gz PQNKNDHQFIOVFI-LLVKDONJSA-N 2 2 317.296 3.631 10 0 DHAELP CC(C)C[N@@H+]([C@H](C[NH3+])c1ccc(Br)s1)C1CC1 ZINC000042555296 183283819 /nfs/dbraw/zinc/28/38/19/183283819.db2.gz PQNKNDHQFIOVFI-LLVKDONJSA-N 2 2 317.296 3.631 10 0 DHAELP CC(C)C[N@H+](C(C)C)[C@H](C[NH3+])c1ccc(Br)s1 ZINC000042579776 183287130 /nfs/dbraw/zinc/28/71/30/183287130.db2.gz RERQRTIWAJHMRR-LLVKDONJSA-N 2 2 319.312 3.877 10 0 DHAELP CC(C)C[N@@H+](C(C)C)[C@H](C[NH3+])c1ccc(Br)s1 ZINC000042579776 183287131 /nfs/dbraw/zinc/28/71/31/183287131.db2.gz RERQRTIWAJHMRR-LLVKDONJSA-N 2 2 319.312 3.877 10 0 DHAELP CCCC[N@H+]([C@@H](C)CC)[C@@H](C[NH3+])c1ccc(Br)o1 ZINC000042602920 183290336 /nfs/dbraw/zinc/29/03/36/183290336.db2.gz JTKDUDZIINBVOQ-RYUDHWBXSA-N 2 2 317.271 3.943 10 0 DHAELP CCCC[N@@H+]([C@@H](C)CC)[C@@H](C[NH3+])c1ccc(Br)o1 ZINC000042602920 183290339 /nfs/dbraw/zinc/29/03/39/183290339.db2.gz JTKDUDZIINBVOQ-RYUDHWBXSA-N 2 2 317.271 3.943 10 0 DHAELP CC[C@@H]([NH3+])[C@@H](c1cccc(Br)c1)[N@@H+]1CCC[C@@H]1C ZINC000043021030 183330072 /nfs/dbraw/zinc/33/00/72/183330072.db2.gz ILIMWBRAZWUPAK-NILFDRSVSA-N 2 2 311.267 3.712 10 0 DHAELP CC[C@@H]([NH3+])[C@@H](c1cccc(Br)c1)[N@H+]1CCC[C@@H]1C ZINC000043021030 183330073 /nfs/dbraw/zinc/33/00/73/183330073.db2.gz ILIMWBRAZWUPAK-NILFDRSVSA-N 2 2 311.267 3.712 10 0 DHAELP C[C@@H]([NH3+])[C@@H](c1ccccc1Br)[NH+]1CCCCCC1 ZINC000043090474 183335972 /nfs/dbraw/zinc/33/59/72/183335972.db2.gz BSDPHXQRYOIWOU-DOMZBBRYSA-N 2 2 311.267 3.713 10 0 DHAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+]([C@@H](C)c2cccc(OC)c2)C1 ZINC000175652972 337146829 /nfs/dbraw/zinc/14/68/29/337146829.db2.gz RAOISCDPFZCWFZ-DOTOQJQBSA-N 2 2 313.445 3.852 10 0 DHAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+]([C@@H](C)c2cccc(OC)c2)C1 ZINC000175652972 337146830 /nfs/dbraw/zinc/14/68/30/337146830.db2.gz RAOISCDPFZCWFZ-DOTOQJQBSA-N 2 2 313.445 3.852 10 0 DHAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](Cc2cc(F)ccc2C)C1 ZINC000180120323 337171435 /nfs/dbraw/zinc/17/14/35/337171435.db2.gz GHNIIIRPUZMNPK-KRWDZBQOSA-N 2 2 301.409 3.730 10 0 DHAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](Cc2cc(F)ccc2C)C1 ZINC000180120323 337171436 /nfs/dbraw/zinc/17/14/36/337171436.db2.gz GHNIIIRPUZMNPK-KRWDZBQOSA-N 2 2 301.409 3.730 10 0 DHAELP C[C@H]([NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1)c1cccc(O)c1 ZINC000194904709 338776407 /nfs/dbraw/zinc/77/64/07/338776407.db2.gz XKTDWBWULSZPOK-GJZGRUSLSA-N 2 2 307.397 3.990 10 0 DHAELP CC[N@@H+]1CC[C@@H](Nc2ccc(-n3cc[nH+]c3)c(Cl)c2)[C@@H](C)C1 ZINC000245608958 341305206 /nfs/dbraw/zinc/30/52/06/341305206.db2.gz UJVBSBFQLXGAGS-XJKSGUPXSA-N 2 2 318.852 3.668 10 0 DHAELP CC[N@H+]1CC[C@@H](Nc2ccc(-n3cc[nH+]c3)c(Cl)c2)[C@@H](C)C1 ZINC000245608958 341305207 /nfs/dbraw/zinc/30/52/07/341305207.db2.gz UJVBSBFQLXGAGS-XJKSGUPXSA-N 2 2 318.852 3.668 10 0 DHAELP C[C@@H](c1c(F)cccc1F)[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000246115565 341327254 /nfs/dbraw/zinc/32/72/54/341327254.db2.gz KDZBRETUHJIKNW-KBPBESRZSA-N 2 2 317.383 3.855 10 0 DHAELP C[C@@H](c1c(F)cccc1F)[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000246115565 341327255 /nfs/dbraw/zinc/32/72/55/341327255.db2.gz KDZBRETUHJIKNW-KBPBESRZSA-N 2 2 317.383 3.855 10 0 DHAELP CCc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)Cc3cccnc3)C2)cc1 ZINC000190488157 523928131 /nfs/dbraw/zinc/92/81/31/523928131.db2.gz YJGYYFHITOMRGV-NRFANRHFSA-N 2 2 323.484 3.598 10 0 DHAELP CCc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)Cc3cccnc3)C2)cc1 ZINC000190488157 523928136 /nfs/dbraw/zinc/92/81/36/523928136.db2.gz YJGYYFHITOMRGV-NRFANRHFSA-N 2 2 323.484 3.598 10 0 DHAELP CCc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)Cc3cccnc3)C2)cc1 ZINC000190488157 523928142 /nfs/dbraw/zinc/92/81/42/523928142.db2.gz YJGYYFHITOMRGV-NRFANRHFSA-N 2 2 323.484 3.598 10 0 DHAELP CCc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)Cc3cccnc3)C2)cc1 ZINC000190488157 523928152 /nfs/dbraw/zinc/92/81/52/523928152.db2.gz YJGYYFHITOMRGV-NRFANRHFSA-N 2 2 323.484 3.598 10 0 DHAELP CC[C@H]([NH2+][C@H]1C[NH+]2CCC1CC2)c1ccc(Br)cc1 ZINC000019947455 182169324 /nfs/dbraw/zinc/16/93/24/182169324.db2.gz RUHVSCLBJAZRHO-HOTGVXAUSA-N 2 2 323.278 3.584 10 0 DHAELP C[C@H]1C[C@H](C)C[NH+]([C@@H](C[NH3+])c2ccccc2C(F)(F)F)C1 ZINC000020081924 182185094 /nfs/dbraw/zinc/18/50/94/182185094.db2.gz YAJXPLKAAMSQFW-HUBLWGQQSA-N 2 2 300.368 3.683 10 0 DHAELP CCOc1ccc2ccccc2c1C[NH2+]C[C@H]1CCC[N@@H+]1CC ZINC000022936471 182342488 /nfs/dbraw/zinc/34/24/88/182342488.db2.gz PNGSDPIUNIBQKF-QGZVFWFLSA-N 2 2 312.457 3.812 10 0 DHAELP CCOc1ccc2ccccc2c1C[NH2+]C[C@H]1CCC[N@H+]1CC ZINC000022936471 182342490 /nfs/dbraw/zinc/34/24/90/182342490.db2.gz PNGSDPIUNIBQKF-QGZVFWFLSA-N 2 2 312.457 3.812 10 0 DHAELP CCCCC[C@H](C[NH3+])[N@H+](C)Cc1csc(Br)c1 ZINC000042361423 183258106 /nfs/dbraw/zinc/25/81/06/183258106.db2.gz UKMZOAHQAWEFGO-GFCCVEGCSA-N 2 2 319.312 3.850 10 0 DHAELP CCCCC[C@H](C[NH3+])[N@@H+](C)Cc1csc(Br)c1 ZINC000042361423 183258108 /nfs/dbraw/zinc/25/81/08/183258108.db2.gz UKMZOAHQAWEFGO-GFCCVEGCSA-N 2 2 319.312 3.850 10 0 DHAELP CC(C)C[C@@H](C)[N@H+](C)[C@@H](C[NH3+])c1ccc(Br)cc1 ZINC000042563430 183285235 /nfs/dbraw/zinc/28/52/35/183285235.db2.gz DMDDLJGPXFBGDP-DOMZBBRYSA-N 2 2 313.283 3.815 10 0 DHAELP CC(C)C[C@@H](C)[N@@H+](C)[C@@H](C[NH3+])c1ccc(Br)cc1 ZINC000042563430 183285236 /nfs/dbraw/zinc/28/52/36/183285236.db2.gz DMDDLJGPXFBGDP-DOMZBBRYSA-N 2 2 313.283 3.815 10 0 DHAELP CC(C)[N@H+](CC1CC1)[C@@H](C[NH3+])c1ccc(Br)s1 ZINC000042580498 183286420 /nfs/dbraw/zinc/28/64/20/183286420.db2.gz AGQQATWFUOGEBR-NSHDSACASA-N 2 2 317.296 3.631 10 0 DHAELP CC(C)[N@@H+](CC1CC1)[C@@H](C[NH3+])c1ccc(Br)s1 ZINC000042580498 183286423 /nfs/dbraw/zinc/28/64/23/183286423.db2.gz AGQQATWFUOGEBR-NSHDSACASA-N 2 2 317.296 3.631 10 0 DHAELP C[C@H](C[NH+]1CCCC1)[NH2+][C@H](C)c1ccc(Br)cc1 ZINC000042597282 183289518 /nfs/dbraw/zinc/28/95/18/183289518.db2.gz IVOQSDUXWMBBAO-CHWSQXEVSA-N 2 2 311.267 3.584 10 0 DHAELP CC[C@@H]([NH3+])[C@H](c1cccc(Br)c1)[N@H+](CC)C1CC1 ZINC000043020301 183329106 /nfs/dbraw/zinc/32/91/06/183329106.db2.gz DMKBRCXWHYYRSK-CABCVRRESA-N 2 2 311.267 3.712 10 0 DHAELP CC[C@@H]([NH3+])[C@H](c1cccc(Br)c1)[N@@H+](CC)C1CC1 ZINC000043020301 183329109 /nfs/dbraw/zinc/32/91/09/183329109.db2.gz DMKBRCXWHYYRSK-CABCVRRESA-N 2 2 311.267 3.712 10 0 DHAELP CC[C@@H]([NH3+])[C@H](c1cccc(Br)c1)[N@@H+]1CCC[C@@H]1C ZINC000043021032 183329351 /nfs/dbraw/zinc/32/93/51/183329351.db2.gz ILIMWBRAZWUPAK-GLQYFDAESA-N 2 2 311.267 3.712 10 0 DHAELP CC[C@@H]([NH3+])[C@H](c1cccc(Br)c1)[N@H+]1CCC[C@@H]1C ZINC000043021032 183329353 /nfs/dbraw/zinc/32/93/53/183329353.db2.gz ILIMWBRAZWUPAK-GLQYFDAESA-N 2 2 311.267 3.712 10 0 DHAELP Cc1ccccc1[C@@H]([NH2+]CCCn1cc[nH+]c1)c1ccccc1 ZINC000178009460 333000850 /nfs/dbraw/zinc/00/08/50/333000850.db2.gz JAACGZDEXYYMBT-FQEVSTJZSA-N 2 2 305.425 3.961 10 0 DHAELP Cc1cccc2c(N3CC[C@H](Oc4cc[nH+]cc4)C3)cc[nH+]c12 ZINC000301666769 336322041 /nfs/dbraw/zinc/32/20/41/336322041.db2.gz LYLMDHKIHQNBLA-INIZCTEOSA-N 2 2 305.381 3.596 10 0 DHAELP C[C@H]1C[C@@H](CNc2[nH]c3ccccc3[nH+]2)C[N@@H+]1Cc1ccccc1 ZINC000301884323 336336167 /nfs/dbraw/zinc/33/61/67/336336167.db2.gz NUKUWUVVKFEEON-RDJZCZTQSA-N 2 2 320.440 3.885 10 0 DHAELP C[C@H]1C[C@@H](CNc2[nH]c3ccccc3[nH+]2)C[N@H+]1Cc1ccccc1 ZINC000301884323 336336168 /nfs/dbraw/zinc/33/61/68/336336168.db2.gz NUKUWUVVKFEEON-RDJZCZTQSA-N 2 2 320.440 3.885 10 0 DHAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+]([C@@H]2CCc3ccc(F)cc32)C1 ZINC000177713318 337158714 /nfs/dbraw/zinc/15/87/14/337158714.db2.gz BMZQGYQBRJPTKH-FUHWJXTLSA-N 2 2 313.420 3.909 10 0 DHAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+]([C@@H]2CCc3ccc(F)cc32)C1 ZINC000177713318 337158715 /nfs/dbraw/zinc/15/87/15/337158715.db2.gz BMZQGYQBRJPTKH-FUHWJXTLSA-N 2 2 313.420 3.909 10 0 DHAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1[C@H]1CCc2c1cccc2Cl ZINC000246520728 341352437 /nfs/dbraw/zinc/35/24/37/341352437.db2.gz CCCFNEPBRXYEGH-KSSFIOAISA-N 2 2 315.848 3.997 10 0 DHAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1[C@H]1CCc2c1cccc2Cl ZINC000246520728 341352438 /nfs/dbraw/zinc/35/24/38/341352438.db2.gz CCCFNEPBRXYEGH-KSSFIOAISA-N 2 2 315.848 3.997 10 0 DHAELP Cc1cc(NC[C@@H]2CCC[NH2+]C2)nc(-c2cccc(Cl)c2)[nH+]1 ZINC000070456321 525273723 /nfs/dbraw/zinc/27/37/23/525273723.db2.gz OEKMOLXNRYAXQX-CYBMUJFWSA-N 2 2 316.836 3.517 10 0 DHAELP C[C@@H]1C[C@H](C)C[N@H+]([C@@H](C[NH3+])c2ccccc2C(F)(F)F)C1 ZINC000020081919 182185533 /nfs/dbraw/zinc/18/55/33/182185533.db2.gz YAJXPLKAAMSQFW-ZOWXZIJZSA-N 2 2 300.368 3.683 10 0 DHAELP C[C@@H]1C[C@H](C)C[N@@H+]([C@@H](C[NH3+])c2ccccc2C(F)(F)F)C1 ZINC000020081919 182185535 /nfs/dbraw/zinc/18/55/35/182185535.db2.gz YAJXPLKAAMSQFW-ZOWXZIJZSA-N 2 2 300.368 3.683 10 0 DHAELP CCCOc1ccc(Cl)cc1C[NH2+]CCCn1cc[nH+]c1 ZINC000020929019 182254620 /nfs/dbraw/zinc/25/46/20/182254620.db2.gz SCIBEBZSQAWLDS-UHFFFAOYSA-N 2 2 307.825 3.505 10 0 DHAELP CCCOc1ccc(C[NH2+]CCCn2cc[nH+]c2)cc1Cl ZINC000020925690 182254676 /nfs/dbraw/zinc/25/46/76/182254676.db2.gz AWGBOSMTBZPALG-UHFFFAOYSA-N 2 2 307.825 3.505 10 0 DHAELP Clc1ccc([C@@H](c2ccccc2)[N@@H+]2CCC[NH2+]CC2)cc1 ZINC000022027833 182304623 /nfs/dbraw/zinc/30/46/23/182304623.db2.gz RMTYMEIZBKIWGP-GOSISDBHSA-N 2 2 300.833 3.725 10 0 DHAELP Clc1ccc([C@@H](c2ccccc2)[N@H+]2CCC[NH2+]CC2)cc1 ZINC000022027833 182304624 /nfs/dbraw/zinc/30/46/24/182304624.db2.gz RMTYMEIZBKIWGP-GOSISDBHSA-N 2 2 300.833 3.725 10 0 DHAELP CC(C)CC[N@H+](C)[C@H](c1cccc(Br)c1)[C@@H](C)[NH3+] ZINC000043021230 183329558 /nfs/dbraw/zinc/32/95/58/183329558.db2.gz DFEZPEUWZVCDOX-DOMZBBRYSA-N 2 2 313.283 3.815 10 0 DHAELP CC(C)CC[N@@H+](C)[C@H](c1cccc(Br)c1)[C@@H](C)[NH3+] ZINC000043021230 183329560 /nfs/dbraw/zinc/32/95/60/183329560.db2.gz DFEZPEUWZVCDOX-DOMZBBRYSA-N 2 2 313.283 3.815 10 0 DHAELP CC[C@@H]([NH3+])[C@@H](c1ccccc1Br)[N@@H+]1CCC[C@@H]1C ZINC000043092386 183335565 /nfs/dbraw/zinc/33/55/65/183335565.db2.gz NRZYKGLNUZTZFA-NILFDRSVSA-N 2 2 311.267 3.712 10 0 DHAELP CC[C@@H]([NH3+])[C@@H](c1ccccc1Br)[N@H+]1CCC[C@@H]1C ZINC000043092386 183335567 /nfs/dbraw/zinc/33/55/67/183335567.db2.gz NRZYKGLNUZTZFA-NILFDRSVSA-N 2 2 311.267 3.712 10 0 DHAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2cccc(Cl)c2)C1 ZINC000171521406 337087768 /nfs/dbraw/zinc/08/77/68/337087768.db2.gz QIHVOHVFNOSAAK-MRXNPFEDSA-N 2 2 303.837 3.936 10 0 DHAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2cccc(Cl)c2)C1 ZINC000171521406 337087769 /nfs/dbraw/zinc/08/77/69/337087769.db2.gz QIHVOHVFNOSAAK-MRXNPFEDSA-N 2 2 303.837 3.936 10 0 DHAELP C[N@H+](Cc1cc(Br)ccc1Cl)CC(C)(C)C[NH3+] ZINC000226429269 337199137 /nfs/dbraw/zinc/19/91/37/337199137.db2.gz SRXLKFZFCZGHFI-UHFFFAOYSA-N 2 2 319.674 3.519 10 0 DHAELP C[N@@H+](Cc1cc(Br)ccc1Cl)CC(C)(C)C[NH3+] ZINC000226429269 337199138 /nfs/dbraw/zinc/19/91/38/337199138.db2.gz SRXLKFZFCZGHFI-UHFFFAOYSA-N 2 2 319.674 3.519 10 0 DHAELP c1ccc(NC[C@@H]2CC[N@@H+]([C@H]3CCCc4ccccc43)C2)[nH+]c1 ZINC000246068595 341323614 /nfs/dbraw/zinc/32/36/14/341323614.db2.gz BHGQKBYVLQHZQG-LPHOPBHVSA-N 2 2 307.441 3.893 10 0 DHAELP c1ccc(NC[C@@H]2CC[N@H+]([C@H]3CCCc4ccccc43)C2)[nH+]c1 ZINC000246068595 341323615 /nfs/dbraw/zinc/32/36/15/341323615.db2.gz BHGQKBYVLQHZQG-LPHOPBHVSA-N 2 2 307.441 3.893 10 0 DHAELP CC[N@@H+]1CCC[C@H]([NH2+][C@H](C)[C@@H](C)c2nc3ccccc3s2)C1 ZINC000247010229 341359879 /nfs/dbraw/zinc/35/98/79/341359879.db2.gz LDLFFURGAFXKAU-KFWWJZLASA-N 2 2 317.502 3.862 10 0 DHAELP CC[N@H+]1CCC[C@H]([NH2+][C@H](C)[C@@H](C)c2nc3ccccc3s2)C1 ZINC000247010229 341359880 /nfs/dbraw/zinc/35/98/80/341359880.db2.gz LDLFFURGAFXKAU-KFWWJZLASA-N 2 2 317.502 3.862 10 0 DHAELP CC[C@H](c1ccc(F)cc1)[N@@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000247194164 341362002 /nfs/dbraw/zinc/36/20/02/341362002.db2.gz WTHNPSVDPKOKSL-ZWKOTPCHSA-N 2 2 301.409 3.946 10 0 DHAELP CC[C@H](c1ccc(F)cc1)[N@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000247194164 341362003 /nfs/dbraw/zinc/36/20/03/341362003.db2.gz WTHNPSVDPKOKSL-ZWKOTPCHSA-N 2 2 301.409 3.946 10 0 DHAELP CC(C)c1cc(NC[C@@H]2CCC[NH2+]C2)nc(-c2ccccc2)[nH+]1 ZINC000070456193 519833549 /nfs/dbraw/zinc/83/35/49/519833549.db2.gz CSGHXQZXQWROND-OAHLLOKOSA-N 2 2 310.445 3.679 10 0 DHAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+]([C@@H](C)c2ccccc2F)C1 ZINC000106213218 522598552 /nfs/dbraw/zinc/59/85/52/522598552.db2.gz QUWRSNURKXZIQB-GJZGRUSLSA-N 2 2 301.409 3.983 10 0 DHAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+]([C@@H](C)c2ccccc2F)C1 ZINC000106213218 522598562 /nfs/dbraw/zinc/59/85/62/522598562.db2.gz QUWRSNURKXZIQB-GJZGRUSLSA-N 2 2 301.409 3.983 10 0 DHAELP C[N@H+](Cc1ccccc1)[C@H](C[NH3+])c1ccc(Br)cc1 ZINC000019264776 182112164 /nfs/dbraw/zinc/11/21/64/182112164.db2.gz AMWCGZLXINPZRH-MRXNPFEDSA-N 2 2 319.246 3.581 10 0 DHAELP C[N@@H+](Cc1ccccc1)[C@H](C[NH3+])c1ccc(Br)cc1 ZINC000019264776 182112166 /nfs/dbraw/zinc/11/21/66/182112166.db2.gz AMWCGZLXINPZRH-MRXNPFEDSA-N 2 2 319.246 3.581 10 0 DHAELP CCC[NH+](CCC)[C@H](C[NH3+])c1ccccc1OC(F)(F)F ZINC000020023254 182179571 /nfs/dbraw/zinc/17/95/71/182179571.db2.gz JCDFOPXKXGJQQB-CYBMUJFWSA-N 2 2 304.356 3.707 10 0 DHAELP CC(C)C[N@H+](C(C)C)[C@H](C[NH3+])c1cc(Br)cs1 ZINC000042579837 183286917 /nfs/dbraw/zinc/28/69/17/183286917.db2.gz XFKOYGBZOVTQGR-GFCCVEGCSA-N 2 2 319.312 3.877 10 0 DHAELP CC(C)C[N@@H+](C(C)C)[C@H](C[NH3+])c1cc(Br)cs1 ZINC000042579837 183286920 /nfs/dbraw/zinc/28/69/20/183286920.db2.gz XFKOYGBZOVTQGR-GFCCVEGCSA-N 2 2 319.312 3.877 10 0 DHAELP CC(C)C[C@H](C)[N@H+](C)[C@@H](C[NH3+])c1ccc(Br)s1 ZINC000042577485 183287022 /nfs/dbraw/zinc/28/70/22/183287022.db2.gz FYSZFPBTGCABIX-QWRGUYRKSA-N 2 2 319.312 3.877 10 0 DHAELP CC(C)C[C@H](C)[N@@H+](C)[C@@H](C[NH3+])c1ccc(Br)s1 ZINC000042577485 183287023 /nfs/dbraw/zinc/28/70/23/183287023.db2.gz FYSZFPBTGCABIX-QWRGUYRKSA-N 2 2 319.312 3.877 10 0 DHAELP CC[C@@H]1CCC[N@@H+]1[C@@H](c1ccc(Br)cc1)[C@@H](C)[NH3+] ZINC000042954019 183321510 /nfs/dbraw/zinc/32/15/10/183321510.db2.gz YBVVVKDWZTWRKG-KCPJHIHWSA-N 2 2 311.267 3.712 10 0 DHAELP CC[C@@H]1CCC[N@H+]1[C@@H](c1ccc(Br)cc1)[C@@H](C)[NH3+] ZINC000042954019 183321511 /nfs/dbraw/zinc/32/15/11/183321511.db2.gz YBVVVKDWZTWRKG-KCPJHIHWSA-N 2 2 311.267 3.712 10 0 DHAELP CC[C@H]([NH3+])[C@H](c1ccc(Br)cc1)[N@@H+]1CC[C@H](C)C1 ZINC000042954122 183321842 /nfs/dbraw/zinc/32/18/42/183321842.db2.gz NLMCWRAYLMDOER-CQDKDKBSSA-N 2 2 311.267 3.569 10 0 DHAELP CC[C@H]([NH3+])[C@H](c1ccc(Br)cc1)[N@H+]1CC[C@H](C)C1 ZINC000042954122 183321844 /nfs/dbraw/zinc/32/18/44/183321844.db2.gz NLMCWRAYLMDOER-CQDKDKBSSA-N 2 2 311.267 3.569 10 0 DHAELP CCC[N@H+](CC)[C@H](c1cccc(Br)c1)[C@H]([NH3+])CC ZINC000043020351 183328574 /nfs/dbraw/zinc/32/85/74/183328574.db2.gz QYLOAELYHLEBLL-HUUCEWRRSA-N 2 2 313.283 3.959 10 0 DHAELP CCC[N@@H+](CC)[C@H](c1cccc(Br)c1)[C@H]([NH3+])CC ZINC000043020351 183328575 /nfs/dbraw/zinc/32/85/75/183328575.db2.gz QYLOAELYHLEBLL-HUUCEWRRSA-N 2 2 313.283 3.959 10 0 DHAELP CC[C@@H]([NH3+])[C@H](c1cccc(Br)c1)[N@H+](C)CC1CC1 ZINC000043021051 183329854 /nfs/dbraw/zinc/32/98/54/183329854.db2.gz GDRNMRKDUUXWMP-CABCVRRESA-N 2 2 311.267 3.569 10 0 DHAELP CC[C@@H]([NH3+])[C@H](c1cccc(Br)c1)[N@@H+](C)CC1CC1 ZINC000043021051 183329857 /nfs/dbraw/zinc/32/98/57/183329857.db2.gz GDRNMRKDUUXWMP-CABCVRRESA-N 2 2 311.267 3.569 10 0 DHAELP C[NH2+][C@H](C)c1ccc(-n2c[nH+]c(C)c2C)c(Br)c1 ZINC000061698541 184183891 /nfs/dbraw/zinc/18/38/91/184183891.db2.gz MLWRLRSLOAAOPR-SNVBAGLBSA-N 2 2 308.223 3.532 10 0 DHAELP C[C@H]1C[C@H]([NH2+]C2CCN(c3cccc[nH+]3)CC2)CC(C)(C)C1 ZINC000121362162 132155450 /nfs/dbraw/zinc/15/54/50/132155450.db2.gz ZPAPJXBIVKNGSO-RDJZCZTQSA-N 2 2 301.478 3.855 10 0 DHAELP CC(C)n1cc[nH+]c1CSCC[N@@H+](C)Cc1ccccc1 ZINC000193621867 333304820 /nfs/dbraw/zinc/30/48/20/333304820.db2.gz UIVLBMIPWCBASH-UHFFFAOYSA-N 2 2 303.475 3.829 10 0 DHAELP CC[N@@H+]1CCC[C@H]([NH2+][C@@H](C)c2cccc(Br)c2)C1 ZINC000040502153 333353594 /nfs/dbraw/zinc/35/35/94/333353594.db2.gz JSEMKXJIFVYBHZ-WFASDCNBSA-N 2 2 311.267 3.584 10 0 DHAELP CC[N@H+]1CCC[C@H]([NH2+][C@@H](C)c2cccc(Br)c2)C1 ZINC000040502153 333353595 /nfs/dbraw/zinc/35/35/95/333353595.db2.gz JSEMKXJIFVYBHZ-WFASDCNBSA-N 2 2 311.267 3.584 10 0 DHAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2ccc(Cl)s2)C1 ZINC000171524359 337087704 /nfs/dbraw/zinc/08/77/04/337087704.db2.gz OLGPZZWAJMMMSO-GFCCVEGCSA-N 2 2 309.866 3.998 10 0 DHAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2ccc(Cl)s2)C1 ZINC000171524359 337087705 /nfs/dbraw/zinc/08/77/05/337087705.db2.gz OLGPZZWAJMMMSO-GFCCVEGCSA-N 2 2 309.866 3.998 10 0 DHAELP c1cn(C[C@@H]2CCC[N@@H+]2Cc2cnc(C3CCCC3)s2)c[nH+]1 ZINC000188417439 337273133 /nfs/dbraw/zinc/27/31/33/337273133.db2.gz AXVYZFTXKTWXMP-HNNXBMFYSA-N 2 2 316.474 3.662 10 0 DHAELP c1cn(C[C@@H]2CCC[N@H+]2Cc2cnc(C3CCCC3)s2)c[nH+]1 ZINC000188417439 337273134 /nfs/dbraw/zinc/27/31/34/337273134.db2.gz AXVYZFTXKTWXMP-HNNXBMFYSA-N 2 2 316.474 3.662 10 0 DHAELP C[C@H]([NH3+])c1cccc(-c2c[nH+]cn2CCc2ccc(F)cc2)c1 ZINC000584595202 337373972 /nfs/dbraw/zinc/37/39/72/337373972.db2.gz PKAMDCFTEONSRH-AWEZNQCLSA-N 2 2 309.388 3.952 10 0 DHAELP COc1ccc2cc(C[N@H+](CC[NH3+])Cc3ccccc3)ccc2c1 ZINC000310047562 337388409 /nfs/dbraw/zinc/38/84/09/337388409.db2.gz XNZYCCZJNZJZNA-UHFFFAOYSA-N 2 2 320.436 3.809 10 0 DHAELP COc1ccc2cc(C[N@@H+](CC[NH3+])Cc3ccccc3)ccc2c1 ZINC000310047562 337388410 /nfs/dbraw/zinc/38/84/10/337388410.db2.gz XNZYCCZJNZJZNA-UHFFFAOYSA-N 2 2 320.436 3.809 10 0 DHAELP CC(C)[C@@](C)(C[NH3+])[NH2+]Cc1ccc(Br)cc1Cl ZINC000336718836 337398495 /nfs/dbraw/zinc/39/84/95/337398495.db2.gz VLLRQGNIHXFNOT-CYBMUJFWSA-N 2 2 319.674 3.566 10 0 DHAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1[C@H]1CCCc2ccc(F)cc21 ZINC000245509422 341298462 /nfs/dbraw/zinc/29/84/62/341298462.db2.gz KEVINZUPJCNVLL-HKUYNNGSSA-N 2 2 313.420 3.873 10 0 DHAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1[C@H]1CCCc2ccc(F)cc21 ZINC000245509422 341298463 /nfs/dbraw/zinc/29/84/63/341298463.db2.gz KEVINZUPJCNVLL-HKUYNNGSSA-N 2 2 313.420 3.873 10 0 DHAELP Cc1cccc([C@@H](C)[N@@H+]2CC[C@@H](C[NH+](C)Cc3cccnc3)C2)c1 ZINC000248656025 341382982 /nfs/dbraw/zinc/38/29/82/341382982.db2.gz QYUVLFXJEGIXIZ-QUCCMNQESA-N 2 2 323.484 3.905 10 0 DHAELP Cc1cccc([C@@H](C)[N@H+]2CC[C@@H](C[NH+](C)Cc3cccnc3)C2)c1 ZINC000248656025 341382983 /nfs/dbraw/zinc/38/29/83/341382983.db2.gz QYUVLFXJEGIXIZ-QUCCMNQESA-N 2 2 323.484 3.905 10 0 DHAELP Cc1cccc([C@@H](C)[NH+]2CC[C@@H](C[N@H+](C)Cc3cccnc3)C2)c1 ZINC000248656025 341382984 /nfs/dbraw/zinc/38/29/84/341382984.db2.gz QYUVLFXJEGIXIZ-QUCCMNQESA-N 2 2 323.484 3.905 10 0 DHAELP Cc1cccc([C@@H](C)[NH+]2CC[C@@H](C[N@@H+](C)Cc3cccnc3)C2)c1 ZINC000248656025 341382985 /nfs/dbraw/zinc/38/29/85/341382985.db2.gz QYUVLFXJEGIXIZ-QUCCMNQESA-N 2 2 323.484 3.905 10 0 DHAELP Cc1[nH+]ccn1CC[NH2+][C@H](C)c1c(Cl)ccc(F)c1Cl ZINC000336834668 341767014 /nfs/dbraw/zinc/76/70/14/341767014.db2.gz IMVHGTLOIRGXQO-SECBINFHSA-N 2 2 316.207 3.988 10 0 DHAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2)C1 ZINC000106217646 522593089 /nfs/dbraw/zinc/59/30/89/522593089.db2.gz DLGAOBXVHWZANO-MRXNPFEDSA-N 2 2 303.837 3.936 10 0 DHAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2)C1 ZINC000106217646 522593100 /nfs/dbraw/zinc/59/31/00/522593100.db2.gz DLGAOBXVHWZANO-MRXNPFEDSA-N 2 2 303.837 3.936 10 0 DHAELP CC(C)C[C@@](C)(C[NH3+])[N@H+](C)Cc1cc(Br)cs1 ZINC000042398614 183263916 /nfs/dbraw/zinc/26/39/16/183263916.db2.gz RERKXCAKEAAHKR-ZDUSSCGKSA-N 2 2 319.312 3.706 10 0 DHAELP CC(C)C[C@@](C)(C[NH3+])[N@@H+](C)Cc1cc(Br)cs1 ZINC000042398614 183263917 /nfs/dbraw/zinc/26/39/17/183263917.db2.gz RERKXCAKEAAHKR-ZDUSSCGKSA-N 2 2 319.312 3.706 10 0 DHAELP C[C@@H]([NH3+])[C@@H](c1cccc(Br)c1)[NH+]1CCCCCC1 ZINC000043019862 183328656 /nfs/dbraw/zinc/32/86/56/183328656.db2.gz LOJZGANNOJOBFU-DOMZBBRYSA-N 2 2 311.267 3.713 10 0 DHAELP C[C@@H]([NH3+])[C@H](c1cccc(Br)c1)[NH+]1CCCCCC1 ZINC000043019865 183328796 /nfs/dbraw/zinc/32/87/96/183328796.db2.gz LOJZGANNOJOBFU-IUODEOHRSA-N 2 2 311.267 3.713 10 0 DHAELP C[C@H]([NH3+])[C@H](c1ccccc1Br)[N@H+](C)C1CCCC1 ZINC000043091262 183336182 /nfs/dbraw/zinc/33/61/82/183336182.db2.gz NWQPBUXFCIDTLM-XHDPSFHLSA-N 2 2 311.267 3.712 10 0 DHAELP C[C@H]([NH3+])[C@H](c1ccccc1Br)[N@@H+](C)C1CCCC1 ZINC000043091262 183336186 /nfs/dbraw/zinc/33/61/86/183336186.db2.gz NWQPBUXFCIDTLM-XHDPSFHLSA-N 2 2 311.267 3.712 10 0 DHAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2cccc3cccnc32)C1 ZINC000105897149 194161523 /nfs/dbraw/zinc/16/15/23/194161523.db2.gz VCSXLZMXCJWGPR-GOSISDBHSA-N 2 2 320.440 3.831 10 0 DHAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2cccc3cccnc32)C1 ZINC000105897149 194161526 /nfs/dbraw/zinc/16/15/26/194161526.db2.gz VCSXLZMXCJWGPR-GOSISDBHSA-N 2 2 320.440 3.831 10 0 DHAELP CCC[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)c(Br)c1 ZINC000061698312 184183823 /nfs/dbraw/zinc/18/38/23/184183823.db2.gz KQDPUAQZLZAWFS-LLVKDONJSA-N 2 2 308.223 3.695 10 0 DHAELP CC[N@@H+]1CCC[C@@H]([NH2+][C@@H](C)c2ccc(Br)cc2)C1 ZINC000040502150 333353628 /nfs/dbraw/zinc/35/36/28/333353628.db2.gz COAGGHQAIMMQKZ-SWLSCSKDSA-N 2 2 311.267 3.584 10 0 DHAELP CC[N@H+]1CCC[C@@H]([NH2+][C@@H](C)c2ccc(Br)cc2)C1 ZINC000040502150 333353630 /nfs/dbraw/zinc/35/36/30/333353630.db2.gz COAGGHQAIMMQKZ-SWLSCSKDSA-N 2 2 311.267 3.584 10 0 DHAELP C[C@@H]1C[C@@H](CNc2[nH]c3ccccc3[nH+]2)C[N@@H+]1Cc1ccccc1 ZINC000301884324 336336076 /nfs/dbraw/zinc/33/60/76/336336076.db2.gz NUKUWUVVKFEEON-WBVHZDCISA-N 2 2 320.440 3.885 10 0 DHAELP C[C@@H]1C[C@@H](CNc2[nH]c3ccccc3[nH+]2)C[N@H+]1Cc1ccccc1 ZINC000301884324 336336077 /nfs/dbraw/zinc/33/60/77/336336077.db2.gz NUKUWUVVKFEEON-WBVHZDCISA-N 2 2 320.440 3.885 10 0 DHAELP CC[C@@H]([NH2+]C[C@H]1CCC[N@@H+]1C)c1ccc(Br)cc1 ZINC000222704829 337180143 /nfs/dbraw/zinc/18/01/43/337180143.db2.gz QLZVQOYNPQFXGQ-HUUCEWRRSA-N 2 2 311.267 3.584 10 0 DHAELP CC[C@@H]([NH2+]C[C@H]1CCC[N@H+]1C)c1ccc(Br)cc1 ZINC000222704829 337180144 /nfs/dbraw/zinc/18/01/44/337180144.db2.gz QLZVQOYNPQFXGQ-HUUCEWRRSA-N 2 2 311.267 3.584 10 0 DHAELP CC[C@@H]([NH2+]C[C@@H]1CCC[N@@H+]1C)c1cccc(Br)c1 ZINC000222702496 337180203 /nfs/dbraw/zinc/18/02/03/337180203.db2.gz MUJWBCQRIQUCAF-LSDHHAIUSA-N 2 2 311.267 3.584 10 0 DHAELP CC[C@@H]([NH2+]C[C@@H]1CCC[N@H+]1C)c1cccc(Br)c1 ZINC000222702496 337180204 /nfs/dbraw/zinc/18/02/04/337180204.db2.gz MUJWBCQRIQUCAF-LSDHHAIUSA-N 2 2 311.267 3.584 10 0 DHAELP C[C@H](c1c(F)cccc1F)[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000246115584 341327329 /nfs/dbraw/zinc/32/73/29/341327329.db2.gz KDZBRETUHJIKNW-KGLIPLIRSA-N 2 2 317.383 3.855 10 0 DHAELP C[C@H](c1c(F)cccc1F)[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000246115584 341327330 /nfs/dbraw/zinc/32/73/30/341327330.db2.gz KDZBRETUHJIKNW-KGLIPLIRSA-N 2 2 317.383 3.855 10 0 DHAELP C[C@@H]([NH2+]CCCCCn1cccn1)c1cccc(-n2cc[nH+]c2)c1 ZINC000189905562 525432868 /nfs/dbraw/zinc/43/28/68/525432868.db2.gz IRXQCYWACKWYOV-QGZVFWFLSA-N 2 2 323.444 3.590 10 0 DHAELP [NH3+]C[C@@H](c1ccccc1Br)[NH+]1CCCCCCC1 ZINC000020265362 182201122 /nfs/dbraw/zinc/20/11/22/182201122.db2.gz HPVONFLUXRJJAT-HNNXBMFYSA-N 2 2 311.267 3.715 10 0 DHAELP CC(C)C[C@@](C)(C[NH3+])[N@H+](C)Cc1csc(Br)c1 ZINC000042361221 183258400 /nfs/dbraw/zinc/25/84/00/183258400.db2.gz RMJTXSCWSIAYGT-ZDUSSCGKSA-N 2 2 319.312 3.706 10 0 DHAELP CC(C)C[C@@](C)(C[NH3+])[N@@H+](C)Cc1csc(Br)c1 ZINC000042361221 183258402 /nfs/dbraw/zinc/25/84/02/183258402.db2.gz RMJTXSCWSIAYGT-ZDUSSCGKSA-N 2 2 319.312 3.706 10 0 DHAELP CC(C)[N@H+](CC1CC1)[C@@H](C[NH3+])c1cc(Br)cs1 ZINC000042580566 183287080 /nfs/dbraw/zinc/28/70/80/183287080.db2.gz VTZZNOBIPYELMD-LBPRGKRZSA-N 2 2 317.296 3.631 10 0 DHAELP CC(C)[N@@H+](CC1CC1)[C@@H](C[NH3+])c1cc(Br)cs1 ZINC000042580566 183287081 /nfs/dbraw/zinc/28/70/81/183287081.db2.gz VTZZNOBIPYELMD-LBPRGKRZSA-N 2 2 317.296 3.631 10 0 DHAELP CCCC[N@H+]([C@H](C)CC)[C@@H](C[NH3+])c1ccc(Br)o1 ZINC000042602922 183290806 /nfs/dbraw/zinc/29/08/06/183290806.db2.gz JTKDUDZIINBVOQ-NEPJUHHUSA-N 2 2 317.271 3.943 10 0 DHAELP CCCC[N@@H+]([C@H](C)CC)[C@@H](C[NH3+])c1ccc(Br)o1 ZINC000042602922 183290809 /nfs/dbraw/zinc/29/08/09/183290809.db2.gz JTKDUDZIINBVOQ-NEPJUHHUSA-N 2 2 317.271 3.943 10 0 DHAELP CC[C@@H]([NH3+])[C@@H](c1cccc(Br)c1)[N@H+](CC)C(C)C ZINC000043020323 183328349 /nfs/dbraw/zinc/32/83/49/183328349.db2.gz BARSZRFBCOGEMA-HUUCEWRRSA-N 2 2 313.283 3.958 10 0 DHAELP CC[C@@H]([NH3+])[C@@H](c1cccc(Br)c1)[N@@H+](CC)C(C)C ZINC000043020323 183328351 /nfs/dbraw/zinc/32/83/51/183328351.db2.gz BARSZRFBCOGEMA-HUUCEWRRSA-N 2 2 313.283 3.958 10 0 DHAELP CCC[NH+](CCC)[C@@H](c1ccccc1Br)[C@H](C)[NH3+] ZINC000043090615 183335884 /nfs/dbraw/zinc/33/58/84/183335884.db2.gz KWFQZZOCBBMPRK-SWLSCSKDSA-N 2 2 313.283 3.959 10 0 DHAELP C[NH2+][C@@H](C)c1ccc(-n2c[nH+]c(C)c2C)c(Br)c1 ZINC000061698542 184183759 /nfs/dbraw/zinc/18/37/59/184183759.db2.gz MLWRLRSLOAAOPR-JTQLQIEISA-N 2 2 308.223 3.532 10 0 DHAELP C[C@H]([NH2+]CCn1cc[nH+]c1)c1c(Cl)ccc(F)c1Cl ZINC000041119098 332214381 /nfs/dbraw/zinc/21/43/81/332214381.db2.gz LVTLOMIGJWHOMS-VIFPVBQESA-N 2 2 302.180 3.680 10 0 DHAELP CC[C@H]([NH2+]C[C@H]1CCC[N@@H+]1C)c1ccc(Br)cc1 ZINC000222704894 337180243 /nfs/dbraw/zinc/18/02/43/337180243.db2.gz QLZVQOYNPQFXGQ-CABCVRRESA-N 2 2 311.267 3.584 10 0 DHAELP CC[C@H]([NH2+]C[C@H]1CCC[N@H+]1C)c1ccc(Br)cc1 ZINC000222704894 337180244 /nfs/dbraw/zinc/18/02/44/337180244.db2.gz QLZVQOYNPQFXGQ-CABCVRRESA-N 2 2 311.267 3.584 10 0 DHAELP CC[C@H]([NH2+]C[C@H]1CCC[N@@H+]1C)c1cccc(Br)c1 ZINC000222702685 337180264 /nfs/dbraw/zinc/18/02/64/337180264.db2.gz MUJWBCQRIQUCAF-CABCVRRESA-N 2 2 311.267 3.584 10 0 DHAELP CC[C@H]([NH2+]C[C@H]1CCC[N@H+]1C)c1cccc(Br)c1 ZINC000222702685 337180265 /nfs/dbraw/zinc/18/02/65/337180265.db2.gz MUJWBCQRIQUCAF-CABCVRRESA-N 2 2 311.267 3.584 10 0 DHAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2)C1 ZINC000106217649 522600326 /nfs/dbraw/zinc/60/03/26/522600326.db2.gz DLGAOBXVHWZANO-INIZCTEOSA-N 2 2 303.837 3.936 10 0 DHAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2)C1 ZINC000106217649 522600333 /nfs/dbraw/zinc/60/03/33/522600333.db2.gz DLGAOBXVHWZANO-INIZCTEOSA-N 2 2 303.837 3.936 10 0 DHAELP C[C@H]([NH2+]CCCCCn1cccn1)c1cccc(-n2cc[nH+]c2)c1 ZINC000189905547 525332839 /nfs/dbraw/zinc/33/28/39/525332839.db2.gz IRXQCYWACKWYOV-KRWDZBQOSA-N 2 2 323.444 3.590 10 0 DHAELP C[C@@H]([NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1)c1nc(C2CC2)no1 ZINC000180661911 525663184 /nfs/dbraw/zinc/66/31/84/525663184.db2.gz NHVKPGQVJIFFAT-CHWSQXEVSA-N 2 2 323.400 3.545 10 0 DHAELP C[N@H+]([C@H](C[NH3+])c1ccc(Br)s1)C1CCCCC1 ZINC000019407410 182122186 /nfs/dbraw/zinc/12/21/86/182122186.db2.gz IPXLLEOYPXYXDO-LLVKDONJSA-N 2 2 317.296 3.775 10 0 DHAELP C[N@@H+]([C@H](C[NH3+])c1ccc(Br)s1)C1CCCCC1 ZINC000019407410 182122190 /nfs/dbraw/zinc/12/21/90/182122190.db2.gz IPXLLEOYPXYXDO-LLVKDONJSA-N 2 2 317.296 3.775 10 0 DHAELP CC(C)[NH2+]CCCc1[nH]cc(-c2ccccc2Br)[nH+]1 ZINC000037635004 182915406 /nfs/dbraw/zinc/91/54/06/182915406.db2.gz IZVJEPBRINTJRU-UHFFFAOYSA-N 2 2 322.250 3.770 10 0 DHAELP C[N@H+](Cc1cc(Br)cs1)[C@H]1CCCCC[C@@H]1[NH3+] ZINC000042400267 183264181 /nfs/dbraw/zinc/26/41/81/183264181.db2.gz HHPVPVIQBMGICD-STQMWFEESA-N 2 2 317.296 3.602 10 0 DHAELP C[N@@H+](Cc1cc(Br)cs1)[C@H]1CCCCC[C@@H]1[NH3+] ZINC000042400267 183264183 /nfs/dbraw/zinc/26/41/83/183264183.db2.gz HHPVPVIQBMGICD-STQMWFEESA-N 2 2 317.296 3.602 10 0 DHAELP CCCCC[N@H+](C(C)C)[C@@H](C[NH3+])c1ccc(Br)o1 ZINC000042555092 183284285 /nfs/dbraw/zinc/28/42/85/183284285.db2.gz SLFFKSFJKPLGRD-LBPRGKRZSA-N 2 2 317.271 3.943 10 0 DHAELP CCCCC[N@@H+](C(C)C)[C@@H](C[NH3+])c1ccc(Br)o1 ZINC000042555092 183284286 /nfs/dbraw/zinc/28/42/86/183284286.db2.gz SLFFKSFJKPLGRD-LBPRGKRZSA-N 2 2 317.271 3.943 10 0 DHAELP CC(C)C[N@H+]([C@@H](C[NH3+])c1ccc(Br)s1)C1CC1 ZINC000042555293 183284336 /nfs/dbraw/zinc/28/43/36/183284336.db2.gz PQNKNDHQFIOVFI-NSHDSACASA-N 2 2 317.296 3.631 10 0 DHAELP CC(C)C[N@@H+]([C@@H](C[NH3+])c1ccc(Br)s1)C1CC1 ZINC000042555293 183284338 /nfs/dbraw/zinc/28/43/38/183284338.db2.gz PQNKNDHQFIOVFI-NSHDSACASA-N 2 2 317.296 3.631 10 0 DHAELP CC(C)C[C@@H](C)[N@H+](C)[C@@H](C[NH3+])c1cc(Br)cs1 ZINC000042577551 183286555 /nfs/dbraw/zinc/28/65/55/183286555.db2.gz UHBUMIFRXSBNFS-PWSUYJOCSA-N 2 2 319.312 3.877 10 0 DHAELP CC(C)C[C@@H](C)[N@@H+](C)[C@@H](C[NH3+])c1cc(Br)cs1 ZINC000042577551 183286559 /nfs/dbraw/zinc/28/65/59/183286559.db2.gz UHBUMIFRXSBNFS-PWSUYJOCSA-N 2 2 319.312 3.877 10 0 DHAELP CC(C)[N@H+](CC1CC1)[C@H](C[NH3+])c1ccc(Br)cc1 ZINC000042580082 183286995 /nfs/dbraw/zinc/28/69/95/183286995.db2.gz PCKNJDVJLVAGLG-OAHLLOKOSA-N 2 2 311.267 3.569 10 0 DHAELP CC(C)[N@@H+](CC1CC1)[C@H](C[NH3+])c1ccc(Br)cc1 ZINC000042580082 183286999 /nfs/dbraw/zinc/28/69/99/183286999.db2.gz PCKNJDVJLVAGLG-OAHLLOKOSA-N 2 2 311.267 3.569 10 0 DHAELP CC[C@@H]([NH3+])[C@H](c1ccc(Br)cc1)[N@H+](C)CC1CC1 ZINC000042954051 183322094 /nfs/dbraw/zinc/32/20/94/183322094.db2.gz DAQKWBGQDUDPAR-CABCVRRESA-N 2 2 311.267 3.569 10 0 DHAELP CC[C@@H]([NH3+])[C@H](c1ccc(Br)cc1)[N@@H+](C)CC1CC1 ZINC000042954051 183322095 /nfs/dbraw/zinc/32/20/95/183322095.db2.gz DAQKWBGQDUDPAR-CABCVRRESA-N 2 2 311.267 3.569 10 0 DHAELP CCC[C@H](C)[N@H+](C)[C@@H](c1cccc(Br)c1)[C@@H](C)[NH3+] ZINC000043020654 183330067 /nfs/dbraw/zinc/33/00/67/183330067.db2.gz RICJQHFLJIWQJD-YWPYICTPSA-N 2 2 313.283 3.958 10 0 DHAELP CCC[C@H](C)[N@@H+](C)[C@@H](c1cccc(Br)c1)[C@@H](C)[NH3+] ZINC000043020654 183330068 /nfs/dbraw/zinc/33/00/68/183330068.db2.gz RICJQHFLJIWQJD-YWPYICTPSA-N 2 2 313.283 3.958 10 0 DHAELP FC(F)(F)C[C@H]([NH2+]CCC[NH+]1CCCC1)c1ccccc1 ZINC000037229649 331546056 /nfs/dbraw/zinc/54/60/56/331546056.db2.gz NIJPEYPEYISJNT-HNNXBMFYSA-N 2 2 300.368 3.756 10 0 DHAELP Cc1ccccc1[C@H]([NH2+]CCCn1cc[nH+]c1)c1ccccc1 ZINC000178009446 333000759 /nfs/dbraw/zinc/00/07/59/333000759.db2.gz JAACGZDEXYYMBT-HXUWFJFHSA-N 2 2 305.425 3.961 10 0 DHAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+]([C@@H](C)c2nc3ccccc3o2)C1 ZINC000181101678 337179803 /nfs/dbraw/zinc/17/98/03/337179803.db2.gz DOTHRXKMTYIKNV-LSDHHAIUSA-N 2 2 324.428 3.985 10 0 DHAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+]([C@@H](C)c2nc3ccccc3o2)C1 ZINC000181101678 337179804 /nfs/dbraw/zinc/17/98/04/337179804.db2.gz DOTHRXKMTYIKNV-LSDHHAIUSA-N 2 2 324.428 3.985 10 0 DHAELP C[N@H+](Cc1ccc(Br)cc1Cl)CC(C)(C)C[NH3+] ZINC000157336007 523200545 /nfs/dbraw/zinc/20/05/45/523200545.db2.gz QDOUUKAGSSMRNR-UHFFFAOYSA-N 2 2 319.674 3.519 10 0 DHAELP C[N@@H+](Cc1ccc(Br)cc1Cl)CC(C)(C)C[NH3+] ZINC000157336007 523200554 /nfs/dbraw/zinc/20/05/54/523200554.db2.gz QDOUUKAGSSMRNR-UHFFFAOYSA-N 2 2 319.674 3.519 10 0 DHAELP C[C@@H]1C[C@@H](C)C[NH+]([C@@H](C[NH3+])c2ccccc2C(F)(F)F)C1 ZINC000020081916 182185075 /nfs/dbraw/zinc/18/50/75/182185075.db2.gz YAJXPLKAAMSQFW-JMSVASOKSA-N 2 2 300.368 3.683 10 0 DHAELP CC[C@@H]([NH3+])[C@@H](c1cccc(Br)c1)[N@H+](C)CC1CC1 ZINC000043021048 183329382 /nfs/dbraw/zinc/32/93/82/183329382.db2.gz GDRNMRKDUUXWMP-HUUCEWRRSA-N 2 2 311.267 3.569 10 0 DHAELP CC[C@@H]([NH3+])[C@@H](c1cccc(Br)c1)[N@@H+](C)CC1CC1 ZINC000043021048 183329384 /nfs/dbraw/zinc/32/93/84/183329384.db2.gz GDRNMRKDUUXWMP-HUUCEWRRSA-N 2 2 311.267 3.569 10 0 DHAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](Cc2cccc(F)c2F)C1 ZINC000106215281 194189263 /nfs/dbraw/zinc/18/92/63/194189263.db2.gz VRBRPPNKANTVDA-AWEZNQCLSA-N 2 2 305.372 3.561 10 0 DHAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](Cc2cccc(F)c2F)C1 ZINC000106215281 194189265 /nfs/dbraw/zinc/18/92/65/194189265.db2.gz VRBRPPNKANTVDA-AWEZNQCLSA-N 2 2 305.372 3.561 10 0 DHAELP Fc1ccc2[nH]c(CCNc3cc[nH+]c4ccsc43)[nH+]c2c1 ZINC000301739942 336326819 /nfs/dbraw/zinc/32/68/19/336326819.db2.gz XEKLEVGKHUZQNI-UHFFFAOYSA-N 2 2 312.373 3.966 10 0 DHAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1ccc(C(F)(F)F)cc1 ZINC000178313551 337163814 /nfs/dbraw/zinc/16/38/14/337163814.db2.gz RJYRYSWNBFKJRG-MRXNPFEDSA-N 2 2 323.362 3.875 10 0 DHAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1ccc(C(F)(F)F)cc1 ZINC000178313551 337163815 /nfs/dbraw/zinc/16/38/15/337163815.db2.gz RJYRYSWNBFKJRG-MRXNPFEDSA-N 2 2 323.362 3.875 10 0 DHAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1cccn1CCC(C)C ZINC000180134058 337171630 /nfs/dbraw/zinc/17/16/30/337171630.db2.gz QNTDOOKVENXGSO-LJQANCHMSA-N 2 2 314.477 3.704 10 0 DHAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1cccn1CCC(C)C ZINC000180134058 337171631 /nfs/dbraw/zinc/17/16/31/337171631.db2.gz QNTDOOKVENXGSO-LJQANCHMSA-N 2 2 314.477 3.704 10 0 DHAELP COc1ccc([C@H](C)C[N@@H+]2CCCC[C@@H]([NH+]3CCCC3)C2)cc1 ZINC000245858830 341316529 /nfs/dbraw/zinc/31/65/29/341316529.db2.gz ODXYYZOECJLPGD-IEBWSBKVSA-N 2 2 316.489 3.749 10 0 DHAELP COc1ccc([C@H](C)C[N@H+]2CCCC[C@@H]([NH+]3CCCC3)C2)cc1 ZINC000245858830 341316530 /nfs/dbraw/zinc/31/65/30/341316530.db2.gz ODXYYZOECJLPGD-IEBWSBKVSA-N 2 2 316.489 3.749 10 0 DHAELP C[C@@H](c1ccc(F)cc1F)[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000246162942 341330636 /nfs/dbraw/zinc/33/06/36/341330636.db2.gz RAOVBHHSXQENBV-KBPBESRZSA-N 2 2 317.383 3.855 10 0 DHAELP C[C@@H](c1ccc(F)cc1F)[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000246162942 341330637 /nfs/dbraw/zinc/33/06/37/341330637.db2.gz RAOVBHHSXQENBV-KBPBESRZSA-N 2 2 317.383 3.855 10 0 DHAELP C[C@H](Cc1ccc(O)cc1)[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000123013863 524707775 /nfs/dbraw/zinc/70/77/75/524707775.db2.gz JAXILLGOENJXMI-CVEARBPZSA-N 2 2 321.424 3.860 10 0 DHAELP Cc1ccc([C@@H](C)[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)o1 ZINC000180157118 525723246 /nfs/dbraw/zinc/72/32/46/525723246.db2.gz LHVLFCITJSYPDF-GFCCVEGCSA-N 2 2 304.356 3.655 10 0 DHAELP C[C@@H]1C[C@@H](C)C[NH+]([C@@H](C[NH3+])c2ccc(C(F)(F)F)cc2)C1 ZINC000020081905 182185330 /nfs/dbraw/zinc/18/53/30/182185330.db2.gz QGXJNMNXCIJUOK-JMSVASOKSA-N 2 2 300.368 3.683 10 0 DHAELP C[C@@H](C[NH+]1CCCC1)[NH2+][C@@H](C)c1ccc(Br)cc1 ZINC000042597270 183289654 /nfs/dbraw/zinc/28/96/54/183289654.db2.gz IVOQSDUXWMBBAO-STQMWFEESA-N 2 2 311.267 3.584 10 0 DHAELP CC(C)[C@](C)(C[NH3+])[NH2+]Cc1ccc(Cl)cc1Br ZINC000305295568 337022956 /nfs/dbraw/zinc/02/29/56/337022956.db2.gz IVRYVMVGVOCKCV-ZDUSSCGKSA-N 2 2 319.674 3.566 10 0 DHAELP COc1cccc([C@H](C)[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)c1 ZINC000175620195 337148492 /nfs/dbraw/zinc/14/84/92/337148492.db2.gz TWKHLMWYTBQMAT-JKSUJKDBSA-N 2 2 311.429 3.585 10 0 DHAELP COc1cccc([C@H](C)[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)c1 ZINC000175620195 337148493 /nfs/dbraw/zinc/14/84/93/337148493.db2.gz TWKHLMWYTBQMAT-JKSUJKDBSA-N 2 2 311.429 3.585 10 0 DHAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](Cc2ncc(C(C)C)s2)C1 ZINC000183060832 337191256 /nfs/dbraw/zinc/19/12/56/337191256.db2.gz LCTIOYWTOYLELO-AWEZNQCLSA-N 2 2 318.490 3.863 10 0 DHAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](Cc2ncc(C(C)C)s2)C1 ZINC000183060832 337191257 /nfs/dbraw/zinc/19/12/57/337191257.db2.gz LCTIOYWTOYLELO-AWEZNQCLSA-N 2 2 318.490 3.863 10 0 DHAELP CC(C)N([NH3+])CC[C@H](C)Nc1cc[nH+]c2cc(Cl)ccc12 ZINC000584637529 337379484 /nfs/dbraw/zinc/37/94/84/337379484.db2.gz XGVRBNVHVRLOTI-LBPRGKRZSA-N 2 2 306.841 3.663 10 0 DHAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2csc(C(C)C)n2)C1 ZINC000106213294 337387049 /nfs/dbraw/zinc/38/70/49/337387049.db2.gz RWPNKKKZJLOSDV-OAHLLOKOSA-N 2 2 318.490 3.863 10 0 DHAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2csc(C(C)C)n2)C1 ZINC000106213294 337387050 /nfs/dbraw/zinc/38/70/50/337387050.db2.gz RWPNKKKZJLOSDV-OAHLLOKOSA-N 2 2 318.490 3.863 10 0 DHAELP CCC[C@H](C(=O)Nc1ccc(Oc2cc[nH+]cc2)cc1)[NH+](C)C ZINC000161856621 520989308 /nfs/dbraw/zinc/98/93/08/520989308.db2.gz NVBJUHQZEIKCMP-QGZVFWFLSA-N 2 2 313.401 3.543 10 0 DHAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1F ZINC000189068188 527440335 /nfs/dbraw/zinc/44/03/35/527440335.db2.gz DRAVJRRXWGOPQK-HNNXBMFYSA-N 2 2 307.800 3.649 10 0 DHAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1ccc(Cl)cc1F ZINC000189068188 527440348 /nfs/dbraw/zinc/44/03/48/527440348.db2.gz DRAVJRRXWGOPQK-HNNXBMFYSA-N 2 2 307.800 3.649 10 0 DHAELP CCc1[nH+]c(-c2ccc(C)cc2)nc(NC[C@@H]2CCC[NH2+]C2)c1C ZINC000073684757 191341300 /nfs/dbraw/zinc/34/13/00/191341300.db2.gz VWYOQCHTZACXOW-MRXNPFEDSA-N 2 2 324.472 3.734 10 0 DHAELP CCC[NH+](CCC)[C@@H](C[NH3+])c1ccccc1OC(F)(F)F ZINC000020023251 182179798 /nfs/dbraw/zinc/17/97/98/182179798.db2.gz JCDFOPXKXGJQQB-ZDUSSCGKSA-N 2 2 304.356 3.707 10 0 DHAELP CC[C@H]([NH3+])[C@H](c1ccccc1Br)[N@@H+]1CCC[C@@H]1C ZINC000043092389 183335837 /nfs/dbraw/zinc/33/58/37/183335837.db2.gz NRZYKGLNUZTZFA-CQDKDKBSSA-N 2 2 311.267 3.712 10 0 DHAELP CC[C@H]([NH3+])[C@H](c1ccccc1Br)[N@H+]1CCC[C@@H]1C ZINC000043092389 183335839 /nfs/dbraw/zinc/33/58/39/183335839.db2.gz NRZYKGLNUZTZFA-CQDKDKBSSA-N 2 2 311.267 3.712 10 0 DHAELP Cc1ccc(C[N@@H+](C)CC[C@@H]([NH3+])C(C)C)c(Br)c1 ZINC000164128361 132129555 /nfs/dbraw/zinc/12/95/55/132129555.db2.gz MTPPLLWAOYFLQP-OAHLLOKOSA-N 2 2 313.283 3.563 10 0 DHAELP Cc1ccc(C[N@H+](C)CC[C@@H]([NH3+])C(C)C)c(Br)c1 ZINC000164128361 132129556 /nfs/dbraw/zinc/12/95/56/132129556.db2.gz MTPPLLWAOYFLQP-OAHLLOKOSA-N 2 2 313.283 3.563 10 0 DHAELP Fc1ccc(Cl)c(C[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)c1 ZINC000189028684 333061486 /nfs/dbraw/zinc/06/14/86/333061486.db2.gz PETPVGYLXNEZKC-CYBMUJFWSA-N 2 2 319.811 3.808 10 0 DHAELP Fc1ccc(Cl)c(C[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)c1 ZINC000189028684 333061487 /nfs/dbraw/zinc/06/14/87/333061487.db2.gz PETPVGYLXNEZKC-CYBMUJFWSA-N 2 2 319.811 3.808 10 0 DHAELP c1ccc2[nH+]c(NCc3cc[nH+]c(N4CCCCCC4)c3)[nH]c2c1 ZINC000301853401 336334239 /nfs/dbraw/zinc/33/42/39/336334239.db2.gz CDHONGSLFDGRLL-UHFFFAOYSA-N 2 2 321.428 3.950 10 0 DHAELP C[C@H](Nc1[nH]c2ccccc2[nH+]1)c1cccc(-n2cc[nH+]c2)c1 ZINC000301872544 336335418 /nfs/dbraw/zinc/33/54/18/336335418.db2.gz JERGLLDIZJZAPT-ZDUSSCGKSA-N 2 2 303.369 3.922 10 0 DHAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1cccn1CCC(C)C ZINC000180134043 337171636 /nfs/dbraw/zinc/17/16/36/337171636.db2.gz QNTDOOKVENXGSO-IBGZPJMESA-N 2 2 314.477 3.704 10 0 DHAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1cccn1CCC(C)C ZINC000180134043 337171637 /nfs/dbraw/zinc/17/16/37/337171637.db2.gz QNTDOOKVENXGSO-IBGZPJMESA-N 2 2 314.477 3.704 10 0 DHAELP C[C@@H]([NH2+]Cc1nc2ccccc2o1)c1cccc(-n2cc[nH+]c2)c1 ZINC000180656199 337177196 /nfs/dbraw/zinc/17/71/96/337177196.db2.gz DBGOHYMEOVNYFU-CQSZACIVSA-N 2 2 318.380 3.864 10 0 DHAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1[C@H]1CCCc2ccc(F)cc21 ZINC000245509423 341298391 /nfs/dbraw/zinc/29/83/91/341298391.db2.gz KEVINZUPJCNVLL-MJGOQNOKSA-N 2 2 313.420 3.873 10 0 DHAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1[C@H]1CCCc2ccc(F)cc21 ZINC000245509423 341298392 /nfs/dbraw/zinc/29/83/92/341298392.db2.gz KEVINZUPJCNVLL-MJGOQNOKSA-N 2 2 313.420 3.873 10 0 DHAELP C[C@H](c1ccc(F)c(F)c1)[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000246132525 341328362 /nfs/dbraw/zinc/32/83/62/341328362.db2.gz MPCRPTIMABAHPZ-KGLIPLIRSA-N 2 2 317.383 3.855 10 0 DHAELP C[C@H](c1ccc(F)c(F)c1)[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000246132525 341328363 /nfs/dbraw/zinc/32/83/63/341328363.db2.gz MPCRPTIMABAHPZ-KGLIPLIRSA-N 2 2 317.383 3.855 10 0 DHAELP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000248641727 341382567 /nfs/dbraw/zinc/38/25/67/341382567.db2.gz CQZZNZDELZOYKP-MJGOQNOKSA-N 2 2 309.457 3.597 10 0 DHAELP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000248641727 341382568 /nfs/dbraw/zinc/38/25/68/341382568.db2.gz CQZZNZDELZOYKP-MJGOQNOKSA-N 2 2 309.457 3.597 10 0 DHAELP C[C@H](c1ccccc1)[NH+]1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000248641727 341382569 /nfs/dbraw/zinc/38/25/69/341382569.db2.gz CQZZNZDELZOYKP-MJGOQNOKSA-N 2 2 309.457 3.597 10 0 DHAELP C[C@H](c1ccccc1)[NH+]1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000248641727 341382570 /nfs/dbraw/zinc/38/25/70/341382570.db2.gz CQZZNZDELZOYKP-MJGOQNOKSA-N 2 2 309.457 3.597 10 0 DHAELP Cc1ccc(-c2nc(NC[C@@H]3CCC[NH2+]C3)cc(C(C)C)[nH+]2)cc1 ZINC000070456203 525818497 /nfs/dbraw/zinc/81/84/97/525818497.db2.gz NFJKJZCEFPVJNJ-MRXNPFEDSA-N 2 2 324.472 3.987 10 0 DHAELP Cc1cncc([C@H](C)[NH2+][C@H](C)c2cccc(-n3cc[nH+]c3)c2)c1 ZINC000184373982 526219386 /nfs/dbraw/zinc/21/93/86/526219386.db2.gz NFTIQHSFYIYNFI-CVEARBPZSA-N 2 2 306.413 3.988 10 0 DHAELP c1ccc(NC[C@@H]2CC[N@H+](Cc3ccc4ccccc4n3)C2)[nH+]c1 ZINC000124322697 526482542 /nfs/dbraw/zinc/48/25/42/526482542.db2.gz ZAEZXVWKUQASDP-INIZCTEOSA-N 2 2 318.424 3.564 10 0 DHAELP c1ccc(NC[C@@H]2CC[N@@H+](Cc3ccc4ccccc4n3)C2)[nH+]c1 ZINC000124322697 526482549 /nfs/dbraw/zinc/48/25/49/526482549.db2.gz ZAEZXVWKUQASDP-INIZCTEOSA-N 2 2 318.424 3.564 10 0 DHAELP Cc1nc(C[NH2+][C@@H](C)c2cccc(-n3cc[nH+]c3)c2)sc1C ZINC000189885189 526891880 /nfs/dbraw/zinc/89/18/80/526891880.db2.gz OPTJXWKAGRIPPY-ZDUSSCGKSA-N 2 2 312.442 3.796 10 0 DHAELP CCCC[N@H+](CC)[C@H](C[NH3+])c1ccc(F)c(Br)c1 ZINC000019506025 182126785 /nfs/dbraw/zinc/12/67/85/182126785.db2.gz OUMUILYJUSXUMV-CQSZACIVSA-N 2 2 317.246 3.710 10 0 DHAELP CCCC[N@@H+](CC)[C@H](C[NH3+])c1ccc(F)c(Br)c1 ZINC000019506025 182126787 /nfs/dbraw/zinc/12/67/87/182126787.db2.gz OUMUILYJUSXUMV-CQSZACIVSA-N 2 2 317.246 3.710 10 0 DHAELP CCCC[N@H+](CC)[C@@H](C[NH3+])c1ccc(F)c(Br)c1 ZINC000019506023 182126836 /nfs/dbraw/zinc/12/68/36/182126836.db2.gz OUMUILYJUSXUMV-AWEZNQCLSA-N 2 2 317.246 3.710 10 0 DHAELP CCCC[N@@H+](CC)[C@@H](C[NH3+])c1ccc(F)c(Br)c1 ZINC000019506023 182126837 /nfs/dbraw/zinc/12/68/37/182126837.db2.gz OUMUILYJUSXUMV-AWEZNQCLSA-N 2 2 317.246 3.710 10 0 DHAELP C[C@@H]1CCCC[C@@H]1[N@H+](C)[C@@H](C[NH3+])c1ccc(Br)o1 ZINC000042606999 183290192 /nfs/dbraw/zinc/29/01/92/183290192.db2.gz LDFNWSABLSXDEX-WOPDTQHZSA-N 2 2 315.255 3.552 10 0 DHAELP C[C@@H]1CCCC[C@@H]1[N@@H+](C)[C@@H](C[NH3+])c1ccc(Br)o1 ZINC000042606999 183290194 /nfs/dbraw/zinc/29/01/94/183290194.db2.gz LDFNWSABLSXDEX-WOPDTQHZSA-N 2 2 315.255 3.552 10 0 DHAELP CCC(CC)[N@H+](CCOC)[C@@H](C[NH3+])c1ccc(Cl)s1 ZINC000042614948 183291430 /nfs/dbraw/zinc/29/14/30/183291430.db2.gz WDLZEYKRTGKRKB-LBPRGKRZSA-N 2 2 304.887 3.538 10 0 DHAELP CCC(CC)[N@@H+](CCOC)[C@@H](C[NH3+])c1ccc(Cl)s1 ZINC000042614948 183291431 /nfs/dbraw/zinc/29/14/31/183291431.db2.gz WDLZEYKRTGKRKB-LBPRGKRZSA-N 2 2 304.887 3.538 10 0 DHAELP CCC(CC)[N@H+](CCOC)[C@H](C[NH3+])c1ccc(Cl)s1 ZINC000042614949 183291518 /nfs/dbraw/zinc/29/15/18/183291518.db2.gz WDLZEYKRTGKRKB-GFCCVEGCSA-N 2 2 304.887 3.538 10 0 DHAELP CCC(CC)[N@@H+](CCOC)[C@H](C[NH3+])c1ccc(Cl)s1 ZINC000042614949 183291519 /nfs/dbraw/zinc/29/15/19/183291519.db2.gz WDLZEYKRTGKRKB-GFCCVEGCSA-N 2 2 304.887 3.538 10 0 DHAELP CC[C@H]([NH3+])[C@H](c1cccc(Br)c1)[N@@H+]1CCC[C@@H]1C ZINC000043021031 183329595 /nfs/dbraw/zinc/32/95/95/183329595.db2.gz ILIMWBRAZWUPAK-CQDKDKBSSA-N 2 2 311.267 3.712 10 0 DHAELP CC[C@H]([NH3+])[C@H](c1cccc(Br)c1)[N@H+]1CCC[C@@H]1C ZINC000043021031 183329597 /nfs/dbraw/zinc/32/95/97/183329597.db2.gz ILIMWBRAZWUPAK-CQDKDKBSSA-N 2 2 311.267 3.712 10 0 DHAELP CC[C@H]([NH3+])[C@H](c1ccccc1Br)[N@H+](C)CC(C)C ZINC000043091339 183335557 /nfs/dbraw/zinc/33/55/57/183335557.db2.gz YVSQSJVYLFFSKW-GJZGRUSLSA-N 2 2 313.283 3.815 10 0 DHAELP CC[C@H]([NH3+])[C@H](c1ccccc1Br)[N@@H+](C)CC(C)C ZINC000043091339 183335559 /nfs/dbraw/zinc/33/55/59/183335559.db2.gz YVSQSJVYLFFSKW-GJZGRUSLSA-N 2 2 313.283 3.815 10 0 DHAELP C[C@H]([NH2+]C[C@@H]1CCCC[N@@H+]1Cc1ccccc1)c1cccnc1 ZINC000112537081 333093711 /nfs/dbraw/zinc/09/37/11/333093711.db2.gz HEWSEAVALFVYKB-PXNSSMCTSA-N 2 2 309.457 3.787 10 0 DHAELP C[C@H]([NH2+]C[C@@H]1CCCC[N@H+]1Cc1ccccc1)c1cccnc1 ZINC000112537081 333093712 /nfs/dbraw/zinc/09/37/12/333093712.db2.gz HEWSEAVALFVYKB-PXNSSMCTSA-N 2 2 309.457 3.787 10 0 DHAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](Cc2ccc(C)c(OC)c2)C1 ZINC000193916632 337080562 /nfs/dbraw/zinc/08/05/62/337080562.db2.gz YQQHJPMJOCQZKC-KRWDZBQOSA-N 2 2 313.445 3.600 10 0 DHAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](Cc2ccc(C)c(OC)c2)C1 ZINC000193916632 337080563 /nfs/dbraw/zinc/08/05/63/337080563.db2.gz YQQHJPMJOCQZKC-KRWDZBQOSA-N 2 2 313.445 3.600 10 0 DHAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](Cc2csc(C(C)C)n2)C1 ZINC000106213297 337387074 /nfs/dbraw/zinc/38/70/74/337387074.db2.gz RWPNKKKZJLOSDV-HNNXBMFYSA-N 2 2 318.490 3.863 10 0 DHAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](Cc2csc(C(C)C)n2)C1 ZINC000106213297 337387075 /nfs/dbraw/zinc/38/70/75/337387075.db2.gz RWPNKKKZJLOSDV-HNNXBMFYSA-N 2 2 318.490 3.863 10 0 DHAELP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000248641724 341382543 /nfs/dbraw/zinc/38/25/43/341382543.db2.gz CQZZNZDELZOYKP-HKUYNNGSSA-N 2 2 309.457 3.597 10 0 DHAELP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000248641724 341382544 /nfs/dbraw/zinc/38/25/44/341382544.db2.gz CQZZNZDELZOYKP-HKUYNNGSSA-N 2 2 309.457 3.597 10 0 DHAELP C[C@@H](c1ccccc1)[NH+]1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000248641724 341382545 /nfs/dbraw/zinc/38/25/45/341382545.db2.gz CQZZNZDELZOYKP-HKUYNNGSSA-N 2 2 309.457 3.597 10 0 DHAELP C[C@@H](c1ccccc1)[NH+]1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000248641724 341382546 /nfs/dbraw/zinc/38/25/46/341382546.db2.gz CQZZNZDELZOYKP-HKUYNNGSSA-N 2 2 309.457 3.597 10 0 DHAELP CC(C)c1cc(NC[C@H]2CCC[NH2+]C2)nc(-c2ccccc2)[nH+]1 ZINC000070456194 519833509 /nfs/dbraw/zinc/83/35/09/519833509.db2.gz CSGHXQZXQWROND-HNNXBMFYSA-N 2 2 310.445 3.679 10 0 DHAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](Cc2csc(C3CC3)n2)C1 ZINC000163071866 522599675 /nfs/dbraw/zinc/59/96/75/522599675.db2.gz LOGMLBTWFOPGPJ-HNNXBMFYSA-N 2 2 316.474 3.617 10 0 DHAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](Cc2csc(C3CC3)n2)C1 ZINC000163071866 522599685 /nfs/dbraw/zinc/59/96/85/522599685.db2.gz LOGMLBTWFOPGPJ-HNNXBMFYSA-N 2 2 316.474 3.617 10 0 DHAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1nc(C(C)(C)C)cs1 ZINC000122871258 527441303 /nfs/dbraw/zinc/44/13/03/527441303.db2.gz WXDDHYRFKACJAF-AWEZNQCLSA-N 2 2 318.490 3.610 10 0 DHAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1nc(C(C)(C)C)cs1 ZINC000122871258 527441317 /nfs/dbraw/zinc/44/13/17/527441317.db2.gz WXDDHYRFKACJAF-AWEZNQCLSA-N 2 2 318.490 3.610 10 0 DHAELP CCc1[nH+]c(-c2ccc(C)cc2)nc(NCC2CC[NH2+]CC2)c1C ZINC000073684281 191341537 /nfs/dbraw/zinc/34/15/37/191341537.db2.gz RZCCYWVAMRGFQO-UHFFFAOYSA-N 2 2 324.472 3.734 10 0 DHAELP C[C@@H]1C[C@H](C)C[N@H+]([C@@H](C[NH3+])c2ccc(C(F)(F)F)cc2)C1 ZINC000020081908 182185280 /nfs/dbraw/zinc/18/52/80/182185280.db2.gz QGXJNMNXCIJUOK-ZOWXZIJZSA-N 2 2 300.368 3.683 10 0 DHAELP C[C@@H]1C[C@H](C)C[N@@H+]([C@@H](C[NH3+])c2ccc(C(F)(F)F)cc2)C1 ZINC000020081908 182185281 /nfs/dbraw/zinc/18/52/81/182185281.db2.gz QGXJNMNXCIJUOK-ZOWXZIJZSA-N 2 2 300.368 3.683 10 0 DHAELP CC(C)C[C@H](C)[N@H+](C)[C@@H](C[NH3+])c1cc(Br)cs1 ZINC000042577554 183286113 /nfs/dbraw/zinc/28/61/13/183286113.db2.gz UHBUMIFRXSBNFS-JQWIXIFHSA-N 2 2 319.312 3.877 10 0 DHAELP CC(C)C[C@H](C)[N@@H+](C)[C@@H](C[NH3+])c1cc(Br)cs1 ZINC000042577554 183286115 /nfs/dbraw/zinc/28/61/15/183286115.db2.gz UHBUMIFRXSBNFS-JQWIXIFHSA-N 2 2 319.312 3.877 10 0 DHAELP CC(C)C[N@H+](C(C)C)[C@@H](C[NH3+])c1ccccc1Br ZINC000042579778 183286139 /nfs/dbraw/zinc/28/61/39/183286139.db2.gz RBWMYTWRQCXSFZ-HNNXBMFYSA-N 2 2 313.283 3.815 10 0 DHAELP CC(C)C[N@@H+](C(C)C)[C@@H](C[NH3+])c1ccccc1Br ZINC000042579778 183286143 /nfs/dbraw/zinc/28/61/43/183286143.db2.gz RBWMYTWRQCXSFZ-HNNXBMFYSA-N 2 2 313.283 3.815 10 0 DHAELP CC(C)C[N@H+](C(C)C)[C@@H](C[NH3+])c1cc(Br)cs1 ZINC000042579834 183287197 /nfs/dbraw/zinc/28/71/97/183287197.db2.gz XFKOYGBZOVTQGR-LBPRGKRZSA-N 2 2 319.312 3.877 10 0 DHAELP CC(C)C[N@@H+](C(C)C)[C@@H](C[NH3+])c1cc(Br)cs1 ZINC000042579834 183287200 /nfs/dbraw/zinc/28/72/00/183287200.db2.gz XFKOYGBZOVTQGR-LBPRGKRZSA-N 2 2 319.312 3.877 10 0 DHAELP CC[C@@H]([NH3+])[C@H](c1ccc(Br)cc1)[N@H+](CC)C1CC1 ZINC000042952780 183321335 /nfs/dbraw/zinc/32/13/35/183321335.db2.gz CENHFVVZCLPKTI-CABCVRRESA-N 2 2 311.267 3.712 10 0 DHAELP CC[C@@H]([NH3+])[C@H](c1ccc(Br)cc1)[N@@H+](CC)C1CC1 ZINC000042952780 183321336 /nfs/dbraw/zinc/32/13/36/183321336.db2.gz CENHFVVZCLPKTI-CABCVRRESA-N 2 2 311.267 3.712 10 0 DHAELP CCC[N@H+]([C@H](c1ccc(Br)cc1)[C@@H](C)[NH3+])C1CC1 ZINC000042952884 183322006 /nfs/dbraw/zinc/32/20/06/183322006.db2.gz MHRLNCRPMRFTQN-ABAIWWIYSA-N 2 2 311.267 3.712 10 0 DHAELP CCC[N@@H+]([C@H](c1ccc(Br)cc1)[C@@H](C)[NH3+])C1CC1 ZINC000042952884 183322008 /nfs/dbraw/zinc/32/20/08/183322008.db2.gz MHRLNCRPMRFTQN-ABAIWWIYSA-N 2 2 311.267 3.712 10 0 DHAELP CCCC[N@H+](C)[C@H](c1cccc(Br)c1)[C@H]([NH3+])CC ZINC000043020134 183328521 /nfs/dbraw/zinc/32/85/21/183328521.db2.gz RZKNSIFJTISEQD-HUUCEWRRSA-N 2 2 313.283 3.959 10 0 DHAELP CCCC[N@@H+](C)[C@H](c1cccc(Br)c1)[C@H]([NH3+])CC ZINC000043020134 183328522 /nfs/dbraw/zinc/32/85/22/183328522.db2.gz RZKNSIFJTISEQD-HUUCEWRRSA-N 2 2 313.283 3.959 10 0 DHAELP CCCCC[N@H+](C)[C@@H](c1cccc(Br)c1)[C@@H](C)[NH3+] ZINC000043020407 183328634 /nfs/dbraw/zinc/32/86/34/183328634.db2.gz AQVFMVRUUGPJDD-IUODEOHRSA-N 2 2 313.283 3.959 10 0 DHAELP CCCCC[N@@H+](C)[C@@H](c1cccc(Br)c1)[C@@H](C)[NH3+] ZINC000043020407 183328636 /nfs/dbraw/zinc/32/86/36/183328636.db2.gz AQVFMVRUUGPJDD-IUODEOHRSA-N 2 2 313.283 3.959 10 0 DHAELP CCCC[N@H+](CC)[C@@H](c1cccc(Br)c1)[C@@H](C)[NH3+] ZINC000043020136 183328747 /nfs/dbraw/zinc/32/87/47/183328747.db2.gz MRRGCITYYHVKBI-IUODEOHRSA-N 2 2 313.283 3.959 10 0 DHAELP CCCC[N@@H+](CC)[C@@H](c1cccc(Br)c1)[C@@H](C)[NH3+] ZINC000043020136 183328749 /nfs/dbraw/zinc/32/87/49/183328749.db2.gz MRRGCITYYHVKBI-IUODEOHRSA-N 2 2 313.283 3.959 10 0 DHAELP C[C@@H]([NH3+])[C@@H](c1ccc(Br)cc1)[N@@H+]1CCCC1(C)C ZINC000063065868 184269166 /nfs/dbraw/zinc/26/91/66/184269166.db2.gz WMESFNYDINAOLW-RISCZKNCSA-N 2 2 311.267 3.712 10 0 DHAELP C[C@@H]([NH3+])[C@@H](c1ccc(Br)cc1)[N@H+]1CCCC1(C)C ZINC000063065868 184269167 /nfs/dbraw/zinc/26/91/67/184269167.db2.gz WMESFNYDINAOLW-RISCZKNCSA-N 2 2 311.267 3.712 10 0 DHAELP C[C@H]([NH3+])[C@H](c1ccc(Br)cc1)[N@@H+]1CCCC1(C)C ZINC000063065869 184269202 /nfs/dbraw/zinc/26/92/02/184269202.db2.gz WMESFNYDINAOLW-SMDDNHRTSA-N 2 2 311.267 3.712 10 0 DHAELP C[C@H]([NH3+])[C@H](c1ccc(Br)cc1)[N@H+]1CCCC1(C)C ZINC000063065869 184269203 /nfs/dbraw/zinc/26/92/03/184269203.db2.gz WMESFNYDINAOLW-SMDDNHRTSA-N 2 2 311.267 3.712 10 0 DHAELP FC(F)(F)C[C@@H]([NH2+]CCC[NH+]1CCCC1)c1ccccc1 ZINC000037229647 331546186 /nfs/dbraw/zinc/54/61/86/331546186.db2.gz NIJPEYPEYISJNT-OAHLLOKOSA-N 2 2 300.368 3.756 10 0 DHAELP Cc1cccc2c(N3CC[C@H](C)[C@H](n4cc[nH+]c4)C3)cc[nH+]c12 ZINC000301663726 336321772 /nfs/dbraw/zinc/32/17/72/336321772.db2.gz KQXVIGWMDQJTGL-KBXCAEBGSA-N 2 2 306.413 3.827 10 0 DHAELP c1ccc2[nH+]c(NCCNc3ccc4ccccc4[nH+]3)[nH]c2c1 ZINC000301897325 336336850 /nfs/dbraw/zinc/33/68/50/336336850.db2.gz VOALODOTKFTFSW-UHFFFAOYSA-N 2 2 303.369 3.635 10 0 DHAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+]([C@@H](C)c2cccc(F)c2)C1 ZINC000171521348 337087823 /nfs/dbraw/zinc/08/78/23/337087823.db2.gz CAYQSLAZDUWRQV-WMLDXEAASA-N 2 2 301.409 3.983 10 0 DHAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+]([C@@H](C)c2cccc(F)c2)C1 ZINC000171521348 337087824 /nfs/dbraw/zinc/08/78/24/337087824.db2.gz CAYQSLAZDUWRQV-WMLDXEAASA-N 2 2 301.409 3.983 10 0 DHAELP CC(C)[C@](C)(C[NH3+])[NH2+]Cc1ccc(Br)cc1Cl ZINC000336718837 337398400 /nfs/dbraw/zinc/39/84/00/337398400.db2.gz VLLRQGNIHXFNOT-ZDUSSCGKSA-N 2 2 319.674 3.566 10 0 DHAELP Cc1ccc(-c2nc(NC[C@H]3CCC[NH2+]C3)cc(C(C)C)[nH+]2)cc1 ZINC000070456204 525818424 /nfs/dbraw/zinc/81/84/24/525818424.db2.gz NFJKJZCEFPVJNJ-INIZCTEOSA-N 2 2 324.472 3.987 10 0 DHAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1cc(Cl)ccc1F ZINC000180129879 527440118 /nfs/dbraw/zinc/44/01/18/527440118.db2.gz OAIBYXFAYMYYGQ-HNNXBMFYSA-N 2 2 307.800 3.649 10 0 DHAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1cc(Cl)ccc1F ZINC000180129879 527440123 /nfs/dbraw/zinc/44/01/23/527440123.db2.gz OAIBYXFAYMYYGQ-HNNXBMFYSA-N 2 2 307.800 3.649 10 0 DHAELP Cc1[nH+]c(-c2cccc(Cl)c2)nc(N[C@H]2CCC[NH2+]C2)c1C ZINC000070456558 190896799 /nfs/dbraw/zinc/89/67/99/190896799.db2.gz GBCBBYVJIPLPCY-HNNXBMFYSA-N 2 2 316.836 3.578 10 0 DHAELP CC[C@@H]([NH2+][C@H]1C[NH+]2CCC1CC2)c1ccc(Br)cc1 ZINC000019947453 182169229 /nfs/dbraw/zinc/16/92/29/182169229.db2.gz RUHVSCLBJAZRHO-CVEARBPZSA-N 2 2 323.278 3.584 10 0 DHAELP CC(C)C[N@H+](C(C)C)[C@H](C[NH3+])c1ccccc1Br ZINC000042579781 183287157 /nfs/dbraw/zinc/28/71/57/183287157.db2.gz RBWMYTWRQCXSFZ-OAHLLOKOSA-N 2 2 313.283 3.815 10 0 DHAELP CC(C)C[N@@H+](C(C)C)[C@H](C[NH3+])c1ccccc1Br ZINC000042579781 183287159 /nfs/dbraw/zinc/28/71/59/183287159.db2.gz RBWMYTWRQCXSFZ-OAHLLOKOSA-N 2 2 313.283 3.815 10 0 DHAELP C[C@H](C[NH+]1CCCC1)[NH2+][C@@H](C)c1cccc(Br)c1 ZINC000042597305 183289890 /nfs/dbraw/zinc/28/98/90/183289890.db2.gz VNMNZPXISAUVLZ-OLZOCXBDSA-N 2 2 311.267 3.584 10 0 DHAELP CC[C@H]([NH3+])[C@H](c1cccc(Br)c1)[N@H+](CC)C(C)C ZINC000043020325 183328541 /nfs/dbraw/zinc/32/85/41/183328541.db2.gz BARSZRFBCOGEMA-GJZGRUSLSA-N 2 2 313.283 3.958 10 0 DHAELP CC[C@H]([NH3+])[C@H](c1cccc(Br)c1)[N@@H+](CC)C(C)C ZINC000043020325 183328542 /nfs/dbraw/zinc/32/85/42/183328542.db2.gz BARSZRFBCOGEMA-GJZGRUSLSA-N 2 2 313.283 3.958 10 0 DHAELP CC[C@H]([NH3+])[C@@H](c1cccc(Br)c1)[N@H+](CC)C1CC1 ZINC000043020296 183328620 /nfs/dbraw/zinc/32/86/20/183328620.db2.gz DMKBRCXWHYYRSK-LSDHHAIUSA-N 2 2 311.267 3.712 10 0 DHAELP CC[C@H]([NH3+])[C@@H](c1cccc(Br)c1)[N@@H+](CC)C1CC1 ZINC000043020296 183328621 /nfs/dbraw/zinc/32/86/21/183328621.db2.gz DMKBRCXWHYYRSK-LSDHHAIUSA-N 2 2 311.267 3.712 10 0 DHAELP CCCCC[N@H+](C)[C@H](c1cccc(Br)c1)[C@@H](C)[NH3+] ZINC000043020409 183329190 /nfs/dbraw/zinc/32/91/90/183329190.db2.gz AQVFMVRUUGPJDD-DOMZBBRYSA-N 2 2 313.283 3.959 10 0 DHAELP CCCCC[N@@H+](C)[C@H](c1cccc(Br)c1)[C@@H](C)[NH3+] ZINC000043020409 183329192 /nfs/dbraw/zinc/32/91/92/183329192.db2.gz AQVFMVRUUGPJDD-DOMZBBRYSA-N 2 2 313.283 3.959 10 0 DHAELP CCC[N@H+](C(C)C)[C@H](c1ccccc1Br)[C@@H](C)[NH3+] ZINC000043091294 183336271 /nfs/dbraw/zinc/33/62/71/183336271.db2.gz VVBWCFINVNYSRH-DOMZBBRYSA-N 2 2 313.283 3.958 10 0 DHAELP CCC[N@@H+](C(C)C)[C@H](c1ccccc1Br)[C@@H](C)[NH3+] ZINC000043091294 183336273 /nfs/dbraw/zinc/33/62/73/183336273.db2.gz VVBWCFINVNYSRH-DOMZBBRYSA-N 2 2 313.283 3.958 10 0 DHAELP C[C@H]1C[C@@H]([NH2+]C2CCN(c3cccc[nH+]3)CC2)CC(C)(C)C1 ZINC000121362393 132155343 /nfs/dbraw/zinc/15/53/43/132155343.db2.gz ZPAPJXBIVKNGSO-DOTOQJQBSA-N 2 2 301.478 3.855 10 0 DHAELP C[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+]1Cc1ccccc1)c1cccnc1 ZINC000112537082 333093926 /nfs/dbraw/zinc/09/39/26/333093926.db2.gz HEWSEAVALFVYKB-XLIONFOSSA-N 2 2 309.457 3.787 10 0 DHAELP C[C@@H]([NH2+]C[C@@H]1CCCC[N@H+]1Cc1ccccc1)c1cccnc1 ZINC000112537082 333093927 /nfs/dbraw/zinc/09/39/27/333093927.db2.gz HEWSEAVALFVYKB-XLIONFOSSA-N 2 2 309.457 3.787 10 0 DHAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1ccc(C)c(Cl)c1 ZINC000194042828 337081347 /nfs/dbraw/zinc/08/13/47/337081347.db2.gz SNWYJDIOWNCCHG-MRXNPFEDSA-N 2 2 303.837 3.818 10 0 DHAELP CCCOc1cccc(C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2C)c1 ZINC000180129809 337171565 /nfs/dbraw/zinc/17/15/65/337171565.db2.gz AYSSFFQKBIXWCC-SFHVURJKSA-N 2 2 313.445 3.645 10 0 DHAELP CCCOc1cccc(C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2C)c1 ZINC000180129809 337171566 /nfs/dbraw/zinc/17/15/66/337171566.db2.gz AYSSFFQKBIXWCC-SFHVURJKSA-N 2 2 313.445 3.645 10 0 DHAELP CCCOc1cccc(C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)c1 ZINC000180129798 337171585 /nfs/dbraw/zinc/17/15/85/337171585.db2.gz AYSSFFQKBIXWCC-GOSISDBHSA-N 2 2 313.445 3.645 10 0 DHAELP CCCOc1cccc(C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)c1 ZINC000180129798 337171586 /nfs/dbraw/zinc/17/15/86/337171586.db2.gz AYSSFFQKBIXWCC-GOSISDBHSA-N 2 2 313.445 3.645 10 0 DHAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2ncc(C(C)C)s2)C1 ZINC000183060808 337191230 /nfs/dbraw/zinc/19/12/30/337191230.db2.gz LCTIOYWTOYLELO-CQSZACIVSA-N 2 2 318.490 3.863 10 0 DHAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2ncc(C(C)C)s2)C1 ZINC000183060808 337191231 /nfs/dbraw/zinc/19/12/31/337191231.db2.gz LCTIOYWTOYLELO-CQSZACIVSA-N 2 2 318.490 3.863 10 0 DHAELP CC[C@@H](c1ccc(F)cc1)[N@@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000247194149 341362067 /nfs/dbraw/zinc/36/20/67/341362067.db2.gz WTHNPSVDPKOKSL-ROUUACIJSA-N 2 2 301.409 3.946 10 0 DHAELP CC[C@@H](c1ccc(F)cc1)[N@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000247194149 341362068 /nfs/dbraw/zinc/36/20/68/341362068.db2.gz WTHNPSVDPKOKSL-ROUUACIJSA-N 2 2 301.409 3.946 10 0 DHAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1[C@H](C)CCc1cccc(F)c1 ZINC000248385136 341376106 /nfs/dbraw/zinc/37/61/06/341376106.db2.gz HIWPJGJZCREIMI-BEFAXECRSA-N 2 2 315.436 3.816 10 0 DHAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1[C@H](C)CCc1cccc(F)c1 ZINC000248385136 341376107 /nfs/dbraw/zinc/37/61/07/341376107.db2.gz HIWPJGJZCREIMI-BEFAXECRSA-N 2 2 315.436 3.816 10 0 DHAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1[C@H](C)CCc1cccc(F)c1 ZINC000248385137 341376166 /nfs/dbraw/zinc/37/61/66/341376166.db2.gz HIWPJGJZCREIMI-DNVCBOLYSA-N 2 2 315.436 3.816 10 0 DHAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1[C@H](C)CCc1cccc(F)c1 ZINC000248385137 341376167 /nfs/dbraw/zinc/37/61/67/341376167.db2.gz HIWPJGJZCREIMI-DNVCBOLYSA-N 2 2 315.436 3.816 10 0 DHAELP CC(C)n1ccnc1C[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000180650170 520029353 /nfs/dbraw/zinc/02/93/53/520029353.db2.gz PQYDFAQKYNTAJZ-HNNXBMFYSA-N 2 2 309.417 3.501 10 0 DHAELP CCCC[N@H+](CC)[C@H](C[NH3+])c1ccc(Br)s1 ZINC000019396236 182120732 /nfs/dbraw/zinc/12/07/32/182120732.db2.gz XBYWZZFQOIUBGA-SNVBAGLBSA-N 2 2 305.285 3.632 10 0 DHAELP CCCC[N@@H+](CC)[C@H](C[NH3+])c1ccc(Br)s1 ZINC000019396236 182120733 /nfs/dbraw/zinc/12/07/33/182120733.db2.gz XBYWZZFQOIUBGA-SNVBAGLBSA-N 2 2 305.285 3.632 10 0 DHAELP CC[C@H]([NH2+][C@@H]1C[NH+]2CCC1CC2)c1ccc(Br)cc1 ZINC000019947448 182169387 /nfs/dbraw/zinc/16/93/87/182169387.db2.gz RUHVSCLBJAZRHO-JKSUJKDBSA-N 2 2 323.278 3.584 10 0 DHAELP Clc1ccc([C@H](c2ccccc2)[N@@H+]2CCC[NH2+]CC2)cc1 ZINC000022045968 182306224 /nfs/dbraw/zinc/30/62/24/182306224.db2.gz RMTYMEIZBKIWGP-SFHVURJKSA-N 2 2 300.833 3.725 10 0 DHAELP Clc1ccc([C@H](c2ccccc2)[N@H+]2CCC[NH2+]CC2)cc1 ZINC000022045968 182306225 /nfs/dbraw/zinc/30/62/25/182306225.db2.gz RMTYMEIZBKIWGP-SFHVURJKSA-N 2 2 300.833 3.725 10 0 DHAELP C[N@H+](Cc1cc(Br)cs1)[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000042400263 183264014 /nfs/dbraw/zinc/26/40/14/183264014.db2.gz HHPVPVIQBMGICD-QWHCGFSZSA-N 2 2 317.296 3.602 10 0 DHAELP C[N@@H+](Cc1cc(Br)cs1)[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000042400263 183264015 /nfs/dbraw/zinc/26/40/15/183264015.db2.gz HHPVPVIQBMGICD-QWHCGFSZSA-N 2 2 317.296 3.602 10 0 DHAELP CCCCC[C@H](C[NH3+])[N@H+](C)Cc1cc(Br)cs1 ZINC000042398708 183264239 /nfs/dbraw/zinc/26/42/39/183264239.db2.gz UTKNJCAPNXEDTF-GFCCVEGCSA-N 2 2 319.312 3.850 10 0 DHAELP CCCCC[C@H](C[NH3+])[N@@H+](C)Cc1cc(Br)cs1 ZINC000042398708 183264242 /nfs/dbraw/zinc/26/42/42/183264242.db2.gz UTKNJCAPNXEDTF-GFCCVEGCSA-N 2 2 319.312 3.850 10 0 DHAELP CC(C)C[N@H+]([C@H](C[NH3+])c1cc(Br)cs1)C1CC1 ZINC000042555365 183284108 /nfs/dbraw/zinc/28/41/08/183284108.db2.gz CEGUHNXECLOEON-GFCCVEGCSA-N 2 2 317.296 3.631 10 0 DHAELP CC(C)C[N@@H+]([C@H](C[NH3+])c1cc(Br)cs1)C1CC1 ZINC000042555365 183284110 /nfs/dbraw/zinc/28/41/10/183284110.db2.gz CEGUHNXECLOEON-GFCCVEGCSA-N 2 2 317.296 3.631 10 0 DHAELP C[C@H](C[NH+]1CCCC1)[NH2+][C@@H](C)c1ccc(Br)cc1 ZINC000042597274 183289773 /nfs/dbraw/zinc/28/97/73/183289773.db2.gz IVOQSDUXWMBBAO-OLZOCXBDSA-N 2 2 311.267 3.584 10 0 DHAELP C[C@@H]1C[C@@H]([NH2+]C2CCN(c3cccc[nH+]3)CC2)CC(C)(C)C1 ZINC000121362272 132155446 /nfs/dbraw/zinc/15/54/46/132155446.db2.gz ZPAPJXBIVKNGSO-NVXWUHKLSA-N 2 2 301.478 3.855 10 0 DHAELP C[C@@H]([NH2+]C[C@H]1CCCC[N@@H+]1Cc1ccccc1)c1cccnc1 ZINC000112537084 333093843 /nfs/dbraw/zinc/09/38/43/333093843.db2.gz HEWSEAVALFVYKB-YLJYHZDGSA-N 2 2 309.457 3.787 10 0 DHAELP C[C@@H]([NH2+]C[C@H]1CCCC[N@H+]1Cc1ccccc1)c1cccnc1 ZINC000112537084 333093845 /nfs/dbraw/zinc/09/38/45/333093845.db2.gz HEWSEAVALFVYKB-YLJYHZDGSA-N 2 2 309.457 3.787 10 0 DHAELP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCCC[C@@H]1c1cn[nH]c1 ZINC000192105711 337302920 /nfs/dbraw/zinc/30/29/20/337302920.db2.gz FGEYPYBRQBCWIH-LJQANCHMSA-N 2 2 321.428 3.631 10 0 DHAELP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCCC[C@@H]1c1cn[nH]c1 ZINC000192105711 337302921 /nfs/dbraw/zinc/30/29/21/337302921.db2.gz FGEYPYBRQBCWIH-LJQANCHMSA-N 2 2 321.428 3.631 10 0 DHAELP CC[N@@H+]1CCC[C@@H]([NH2+][C@H]2CCc3c2cccc3Br)C1 ZINC000300414118 340225493 /nfs/dbraw/zinc/22/54/93/340225493.db2.gz HIEWWWXOAWMMDU-WBMJQRKESA-N 2 2 323.278 3.510 10 0 DHAELP CC[N@H+]1CCC[C@@H]([NH2+][C@H]2CCc3c2cccc3Br)C1 ZINC000300414118 340225494 /nfs/dbraw/zinc/22/54/94/340225494.db2.gz HIEWWWXOAWMMDU-WBMJQRKESA-N 2 2 323.278 3.510 10 0 DHAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1[C@@H]1CCCc2ccc(F)cc21 ZINC000133443290 341175368 /nfs/dbraw/zinc/17/53/68/341175368.db2.gz KEVINZUPJCNVLL-IEBWSBKVSA-N 2 2 313.420 3.873 10 0 DHAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1[C@@H]1CCCc2ccc(F)cc21 ZINC000133443290 341175369 /nfs/dbraw/zinc/17/53/69/341175369.db2.gz KEVINZUPJCNVLL-IEBWSBKVSA-N 2 2 313.420 3.873 10 0 DHAELP COc1ccc([C@@H](C)C[N@@H+]2CCCC[C@@H]([NH+]3CCCC3)C2)cc1 ZINC000245858836 341316503 /nfs/dbraw/zinc/31/65/03/341316503.db2.gz ODXYYZOECJLPGD-PKOBYXMFSA-N 2 2 316.489 3.749 10 0 DHAELP COc1ccc([C@@H](C)C[N@H+]2CCCC[C@@H]([NH+]3CCCC3)C2)cc1 ZINC000245858836 341316504 /nfs/dbraw/zinc/31/65/04/341316504.db2.gz ODXYYZOECJLPGD-PKOBYXMFSA-N 2 2 316.489 3.749 10 0 DHAELP C[C@@H](c1cc(F)ccc1F)[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000246086222 341324422 /nfs/dbraw/zinc/32/44/22/341324422.db2.gz FGEQOWGUHKKSNK-KBPBESRZSA-N 2 2 317.383 3.855 10 0 DHAELP C[C@@H](c1cc(F)ccc1F)[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000246086222 341324423 /nfs/dbraw/zinc/32/44/23/341324423.db2.gz FGEQOWGUHKKSNK-KBPBESRZSA-N 2 2 317.383 3.855 10 0 DHAELP COc1ccc([C@H](C)[C@H](C)[NH2+][C@@H]2C[N@@H+](C(C)C)C[C@H]2C)cc1 ZINC000246959696 341359227 /nfs/dbraw/zinc/35/92/27/341359227.db2.gz HTSLGHBNWDUJFS-OAFZBRQQSA-N 2 2 304.478 3.506 10 0 DHAELP COc1ccc([C@H](C)[C@H](C)[NH2+][C@@H]2C[N@H+](C(C)C)C[C@H]2C)cc1 ZINC000246959696 341359228 /nfs/dbraw/zinc/35/92/28/341359228.db2.gz HTSLGHBNWDUJFS-OAFZBRQQSA-N 2 2 304.478 3.506 10 0 DHAELP CC(C)c1cc(NCC2CC[NH2+]CC2)nc(-c2ccccc2)[nH+]1 ZINC000070455981 519833461 /nfs/dbraw/zinc/83/34/61/519833461.db2.gz NEARRWLXYXBBQV-UHFFFAOYSA-N 2 2 310.445 3.679 10 0 DHAELP CC(C)c1csc([C@@H]2CCC[N@H+](CCCn3cc[nH+]c3)C2)n1 ZINC000182797695 519856824 /nfs/dbraw/zinc/85/68/24/519856824.db2.gz HMHKGHKTEBUZKU-OAHLLOKOSA-N 2 2 318.490 3.733 10 0 DHAELP CC(C)c1csc([C@@H]2CCC[N@@H+](CCCn3cc[nH+]c3)C2)n1 ZINC000182797695 519856826 /nfs/dbraw/zinc/85/68/26/519856826.db2.gz HMHKGHKTEBUZKU-OAHLLOKOSA-N 2 2 318.490 3.733 10 0 DHAELP c1ccc(NC[C@H]2CC[N@H+](Cc3ccc4ccccc4n3)C2)[nH+]c1 ZINC000124322473 526483170 /nfs/dbraw/zinc/48/31/70/526483170.db2.gz ZAEZXVWKUQASDP-MRXNPFEDSA-N 2 2 318.424 3.564 10 0 DHAELP c1ccc(NC[C@H]2CC[N@@H+](Cc3ccc4ccccc4n3)C2)[nH+]c1 ZINC000124322473 526483171 /nfs/dbraw/zinc/48/31/71/526483171.db2.gz ZAEZXVWKUQASDP-MRXNPFEDSA-N 2 2 318.424 3.564 10 0 DHAELP CC(C)C[C@](C)(C[NH3+])[N@H+](C)Cc1cc(Br)cs1 ZINC000042398619 183264469 /nfs/dbraw/zinc/26/44/69/183264469.db2.gz RERKXCAKEAAHKR-CYBMUJFWSA-N 2 2 319.312 3.706 10 0 DHAELP CC(C)C[C@](C)(C[NH3+])[N@@H+](C)Cc1cc(Br)cs1 ZINC000042398619 183264471 /nfs/dbraw/zinc/26/44/71/183264471.db2.gz RERKXCAKEAAHKR-CYBMUJFWSA-N 2 2 319.312 3.706 10 0 DHAELP CCC(CC)[C@@H](C[NH3+])[N@H+](C)Cc1csc(Br)c1 ZINC000042360976 183258321 /nfs/dbraw/zinc/25/83/21/183258321.db2.gz AWFWOHPVEOVHKS-GFCCVEGCSA-N 2 2 319.312 3.706 10 0 DHAELP CCC(CC)[C@@H](C[NH3+])[N@@H+](C)Cc1csc(Br)c1 ZINC000042360976 183258322 /nfs/dbraw/zinc/25/83/22/183258322.db2.gz AWFWOHPVEOVHKS-GFCCVEGCSA-N 2 2 319.312 3.706 10 0 DHAELP CC(C)C[C@H](C)[N@H+](C)[C@@H](C[NH3+])c1ccc(Br)cc1 ZINC000042563431 183285488 /nfs/dbraw/zinc/28/54/88/183285488.db2.gz DMDDLJGPXFBGDP-WFASDCNBSA-N 2 2 313.283 3.815 10 0 DHAELP CC(C)C[C@H](C)[N@@H+](C)[C@@H](C[NH3+])c1ccc(Br)cc1 ZINC000042563431 183285489 /nfs/dbraw/zinc/28/54/89/183285489.db2.gz DMDDLJGPXFBGDP-WFASDCNBSA-N 2 2 313.283 3.815 10 0 DHAELP CC(C)[N@H+](CC1CC1)[C@H](C[NH3+])c1cc(Br)cs1 ZINC000042580569 183287054 /nfs/dbraw/zinc/28/70/54/183287054.db2.gz VTZZNOBIPYELMD-GFCCVEGCSA-N 2 2 317.296 3.631 10 0 DHAELP CC(C)[N@@H+](CC1CC1)[C@H](C[NH3+])c1cc(Br)cs1 ZINC000042580569 183287055 /nfs/dbraw/zinc/28/70/55/183287055.db2.gz VTZZNOBIPYELMD-GFCCVEGCSA-N 2 2 317.296 3.631 10 0 DHAELP C[C@H](C[NH+]1CCCC1)[NH2+][C@H](C)c1cccc(Br)c1 ZINC000042597312 183289512 /nfs/dbraw/zinc/28/95/12/183289512.db2.gz VNMNZPXISAUVLZ-CHWSQXEVSA-N 2 2 311.267 3.584 10 0 DHAELP CCCCC[N@H+](C)[C@H](c1ccc(Br)cc1)[C@@H](C)[NH3+] ZINC000042952963 183321856 /nfs/dbraw/zinc/32/18/56/183321856.db2.gz HKJRCEKGSWNLEL-DOMZBBRYSA-N 2 2 313.283 3.959 10 0 DHAELP CCCCC[N@@H+](C)[C@H](c1ccc(Br)cc1)[C@@H](C)[NH3+] ZINC000042952963 183321857 /nfs/dbraw/zinc/32/18/57/183321857.db2.gz HKJRCEKGSWNLEL-DOMZBBRYSA-N 2 2 313.283 3.959 10 0 DHAELP CC[N@H+](CC(C)C)[C@H](c1ccccc1Br)[C@@H](C)[NH3+] ZINC000043091360 183335914 /nfs/dbraw/zinc/33/59/14/183335914.db2.gz YAEYPDVEFDHFBY-DOMZBBRYSA-N 2 2 313.283 3.815 10 0 DHAELP CC[N@@H+](CC(C)C)[C@H](c1ccccc1Br)[C@@H](C)[NH3+] ZINC000043091360 183335917 /nfs/dbraw/zinc/33/59/17/183335917.db2.gz YAEYPDVEFDHFBY-DOMZBBRYSA-N 2 2 313.283 3.815 10 0 DHAELP C[C@@H]([NH3+])[C@H](c1ccc(Br)cc1)[N@@H+]1CCCC1(C)C ZINC000063065870 184269215 /nfs/dbraw/zinc/26/92/15/184269215.db2.gz WMESFNYDINAOLW-BXUZGUMPSA-N 2 2 311.267 3.712 10 0 DHAELP C[C@@H]([NH3+])[C@H](c1ccc(Br)cc1)[N@H+]1CCCC1(C)C ZINC000063065870 184269216 /nfs/dbraw/zinc/26/92/16/184269216.db2.gz WMESFNYDINAOLW-BXUZGUMPSA-N 2 2 311.267 3.712 10 0 DHAELP CC[N@@H+]1CCC[C@H]([NH2+][C@@H](C)c2ccc(Br)cc2)C1 ZINC000040502149 333353561 /nfs/dbraw/zinc/35/35/61/333353561.db2.gz COAGGHQAIMMQKZ-WFASDCNBSA-N 2 2 311.267 3.584 10 0 DHAELP CC[N@H+]1CCC[C@H]([NH2+][C@@H](C)c2ccc(Br)cc2)C1 ZINC000040502149 333353562 /nfs/dbraw/zinc/35/35/62/333353562.db2.gz COAGGHQAIMMQKZ-WFASDCNBSA-N 2 2 311.267 3.584 10 0 DHAELP Clc1ccc2c(c1)[nH+]ccc2N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000301224409 336295521 /nfs/dbraw/zinc/29/55/21/336295521.db2.gz FJAZTGIEGYDDJN-CQSZACIVSA-N 2 2 301.821 3.563 10 0 DHAELP Clc1ccc2c(c1)[nH+]ccc2N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000301224409 336295522 /nfs/dbraw/zinc/29/55/22/336295522.db2.gz FJAZTGIEGYDDJN-CQSZACIVSA-N 2 2 301.821 3.563 10 0 DHAELP COc1ccc([C@@H]2[C@@H](CNc3cccc[nH+]3)CCC[N@@H+]2C)cc1 ZINC000301275730 336298284 /nfs/dbraw/zinc/29/82/84/336298284.db2.gz ISSXUZWLDQAEBR-VQIMIIECSA-N 2 2 311.429 3.585 10 0 DHAELP COc1ccc([C@@H]2[C@@H](CNc3cccc[nH+]3)CCC[N@H+]2C)cc1 ZINC000301275730 336298285 /nfs/dbraw/zinc/29/82/85/336298285.db2.gz ISSXUZWLDQAEBR-VQIMIIECSA-N 2 2 311.429 3.585 10 0 DHAELP C[C@@H](Nc1[nH]c2ccccc2[nH+]1)c1cccc(-n2cc[nH+]c2)c1 ZINC000301872542 336335404 /nfs/dbraw/zinc/33/54/04/336335404.db2.gz JERGLLDIZJZAPT-CYBMUJFWSA-N 2 2 303.369 3.922 10 0 DHAELP CC(C)c1cnc(C[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)s1 ZINC000183035652 337191121 /nfs/dbraw/zinc/19/11/21/337191121.db2.gz YUHWCZPERSCGEU-CQSZACIVSA-N 2 2 316.474 3.596 10 0 DHAELP CC(C)c1cnc(C[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)s1 ZINC000183035652 337191122 /nfs/dbraw/zinc/19/11/22/337191122.db2.gz YUHWCZPERSCGEU-CQSZACIVSA-N 2 2 316.474 3.596 10 0 DHAELP CC/C=C\CC[N@@H+]1CC[C@@H](C[NH+](C)Cc2scnc2C)C1 ZINC000434494712 338218580 /nfs/dbraw/zinc/21/85/80/338218580.db2.gz PSNXFWTZJZEXFI-KJPDOMRESA-N 2 2 307.507 3.562 10 0 DHAELP CC/C=C\CC[N@H+]1CC[C@@H](C[NH+](C)Cc2scnc2C)C1 ZINC000434494712 338218581 /nfs/dbraw/zinc/21/85/81/338218581.db2.gz PSNXFWTZJZEXFI-KJPDOMRESA-N 2 2 307.507 3.562 10 0 DHAELP CC/C=C\CC[NH+]1CC[C@@H](C[N@H+](C)Cc2scnc2C)C1 ZINC000434494712 338218582 /nfs/dbraw/zinc/21/85/82/338218582.db2.gz PSNXFWTZJZEXFI-KJPDOMRESA-N 2 2 307.507 3.562 10 0 DHAELP CC/C=C\CC[NH+]1CC[C@@H](C[N@@H+](C)Cc2scnc2C)C1 ZINC000434494712 338218583 /nfs/dbraw/zinc/21/85/83/338218583.db2.gz PSNXFWTZJZEXFI-KJPDOMRESA-N 2 2 307.507 3.562 10 0 DHAELP C[C@H]([NH2+]CCc1c[nH+]cn1C)c1c(Cl)ccc(F)c1Cl ZINC000401763406 340182767 /nfs/dbraw/zinc/18/27/67/340182767.db2.gz DOJXWBMHWDARSA-VIFPVBQESA-N 2 2 316.207 3.759 10 0 DHAELP CC[N@H+](Cc1ccccc1)[C@@H](C[NH3+])c1ccc(OC(C)C)cc1 ZINC000020226564 182198794 /nfs/dbraw/zinc/19/87/94/182198794.db2.gz MSMNNIXFWOBVCW-FQEVSTJZSA-N 2 2 312.457 3.996 10 0 DHAELP CC[N@@H+](Cc1ccccc1)[C@@H](C[NH3+])c1ccc(OC(C)C)cc1 ZINC000020226564 182198795 /nfs/dbraw/zinc/19/87/95/182198795.db2.gz MSMNNIXFWOBVCW-FQEVSTJZSA-N 2 2 312.457 3.996 10 0 DHAELP C[N@H+](Cc1csc(Br)c1)CC1([NH3+])CCCCC1 ZINC000042365965 183260080 /nfs/dbraw/zinc/26/00/80/183260080.db2.gz MCNFNZJUSNWFJG-UHFFFAOYSA-N 2 2 317.296 3.604 10 0 DHAELP C[N@@H+](Cc1csc(Br)c1)CC1([NH3+])CCCCC1 ZINC000042365965 183260082 /nfs/dbraw/zinc/26/00/82/183260082.db2.gz MCNFNZJUSNWFJG-UHFFFAOYSA-N 2 2 317.296 3.604 10 0 DHAELP CC[C@@H]([NH3+])[C@@H](c1ccc(Br)cc1)[N@H+](CC)C1CC1 ZINC000042952774 183322033 /nfs/dbraw/zinc/32/20/33/183322033.db2.gz CENHFVVZCLPKTI-HUUCEWRRSA-N 2 2 311.267 3.712 10 0 DHAELP CC[C@@H]([NH3+])[C@@H](c1ccc(Br)cc1)[N@@H+](CC)C1CC1 ZINC000042952774 183322035 /nfs/dbraw/zinc/32/20/35/183322035.db2.gz CENHFVVZCLPKTI-HUUCEWRRSA-N 2 2 311.267 3.712 10 0 DHAELP CCC[N@H+](C(C)C)[C@@H](c1ccccc1Br)[C@@H](C)[NH3+] ZINC000043091291 183335889 /nfs/dbraw/zinc/33/58/89/183335889.db2.gz VVBWCFINVNYSRH-IUODEOHRSA-N 2 2 313.283 3.958 10 0 DHAELP CCC[N@@H+](C(C)C)[C@@H](c1ccccc1Br)[C@@H](C)[NH3+] ZINC000043091291 183335892 /nfs/dbraw/zinc/33/58/92/183335892.db2.gz VVBWCFINVNYSRH-IUODEOHRSA-N 2 2 313.283 3.958 10 0 DHAELP C[C@H]([NH3+])[C@@H](c1ccc(Br)cc1)[N@@H+]1CCCC1(C)C ZINC000063065867 184269163 /nfs/dbraw/zinc/26/91/63/184269163.db2.gz WMESFNYDINAOLW-FZMZJTMJSA-N 2 2 311.267 3.712 10 0 DHAELP C[C@H]([NH3+])[C@@H](c1ccc(Br)cc1)[N@H+]1CCCC1(C)C ZINC000063065867 184269164 /nfs/dbraw/zinc/26/91/64/184269164.db2.gz WMESFNYDINAOLW-FZMZJTMJSA-N 2 2 311.267 3.712 10 0 DHAELP C[NH+](C)Cc1ccc(CNc2cc[nH+]c(C(C)(C)C)n2)cc1F ZINC000301862584 336334809 /nfs/dbraw/zinc/33/48/09/336334809.db2.gz GELXLDKGVHSVFC-UHFFFAOYSA-N 2 2 316.424 3.587 10 0 DHAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1ccc(C)c(Cl)c1 ZINC000194042843 337081453 /nfs/dbraw/zinc/08/14/53/337081453.db2.gz SNWYJDIOWNCCHG-INIZCTEOSA-N 2 2 303.837 3.818 10 0 DHAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+]([C@@H](C)c2ccccc2F)C1 ZINC000106213216 522597118 /nfs/dbraw/zinc/59/71/18/522597118.db2.gz QUWRSNURKXZIQB-LSDHHAIUSA-N 2 2 301.409 3.983 10 0 DHAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+]([C@@H](C)c2ccccc2F)C1 ZINC000106213216 522597123 /nfs/dbraw/zinc/59/71/23/522597123.db2.gz QUWRSNURKXZIQB-LSDHHAIUSA-N 2 2 301.409 3.983 10 0 DHAELP C[NH+]1CCC([NH2+][C@@H]2CC3(CCCC3)Oc3ccccc32)CC1 ZINC000161517515 523778222 /nfs/dbraw/zinc/77/82/22/523778222.db2.gz OUJJAFZHURBLAE-QGZVFWFLSA-N 2 2 300.446 3.507 10 0 DHAELP CC1CC[NH+]([C@@H](C[NH3+])c2ccc(OCc3ccccc3)cc2)CC1 ZINC000039789206 183021726 /nfs/dbraw/zinc/02/17/26/183021726.db2.gz UYOAZIWOIRHNSA-NRFANRHFSA-N 2 2 324.468 3.997 10 0 DHAELP CCCCC[C@@H](C[NH3+])[N@H+](C)Cc1csc(Br)c1 ZINC000042361418 183257772 /nfs/dbraw/zinc/25/77/72/183257772.db2.gz UKMZOAHQAWEFGO-LBPRGKRZSA-N 2 2 319.312 3.850 10 0 DHAELP CCCCC[C@@H](C[NH3+])[N@@H+](C)Cc1csc(Br)c1 ZINC000042361418 183257774 /nfs/dbraw/zinc/25/77/74/183257774.db2.gz UKMZOAHQAWEFGO-LBPRGKRZSA-N 2 2 319.312 3.850 10 0 DHAELP CCC[N@H+]([C@@H](c1ccc(Br)cc1)[C@@H](C)[NH3+])C1CC1 ZINC000042952881 183322024 /nfs/dbraw/zinc/32/20/24/183322024.db2.gz MHRLNCRPMRFTQN-IAQYHMDHSA-N 2 2 311.267 3.712 10 0 DHAELP CCC[N@@H+]([C@@H](c1ccc(Br)cc1)[C@@H](C)[NH3+])C1CC1 ZINC000042952881 183322025 /nfs/dbraw/zinc/32/20/25/183322025.db2.gz MHRLNCRPMRFTQN-IAQYHMDHSA-N 2 2 311.267 3.712 10 0 DHAELP CCC[N@H+](CC)[C@@H](c1cccc(Br)c1)[C@H]([NH3+])CC ZINC000043020349 183328588 /nfs/dbraw/zinc/32/85/88/183328588.db2.gz QYLOAELYHLEBLL-CABCVRRESA-N 2 2 313.283 3.959 10 0 DHAELP CCC[N@@H+](CC)[C@@H](c1cccc(Br)c1)[C@H]([NH3+])CC ZINC000043020349 183328590 /nfs/dbraw/zinc/32/85/90/183328590.db2.gz QYLOAELYHLEBLL-CABCVRRESA-N 2 2 313.283 3.959 10 0 DHAELP CCC[NH+](CCC)[C@H](c1ccccc1Br)[C@H](C)[NH3+] ZINC000043090618 183335529 /nfs/dbraw/zinc/33/55/29/183335529.db2.gz KWFQZZOCBBMPRK-WFASDCNBSA-N 2 2 313.283 3.959 10 0 DHAELP CC(C)[C@@](C)(C[NH3+])[NH2+]Cc1ccc(Cl)cc1Br ZINC000305295567 337023027 /nfs/dbraw/zinc/02/30/27/337023027.db2.gz IVRYVMVGVOCKCV-CYBMUJFWSA-N 2 2 319.674 3.566 10 0 DHAELP COc1ccc(C[N@H+](CC[NH3+])Cc2ccccc2)c2ccccc12 ZINC000305612233 337030535 /nfs/dbraw/zinc/03/05/35/337030535.db2.gz FVHMCSBPEIUSAQ-UHFFFAOYSA-N 2 2 320.436 3.809 10 0 DHAELP COc1ccc(C[N@@H+](CC[NH3+])Cc2ccccc2)c2ccccc12 ZINC000305612233 337030536 /nfs/dbraw/zinc/03/05/36/337030536.db2.gz FVHMCSBPEIUSAQ-UHFFFAOYSA-N 2 2 320.436 3.809 10 0 DHAELP C[C@H](c1cc(F)ccc1F)[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000246086233 341324449 /nfs/dbraw/zinc/32/44/49/341324449.db2.gz FGEQOWGUHKKSNK-KGLIPLIRSA-N 2 2 317.383 3.855 10 0 DHAELP C[C@H](c1cc(F)ccc1F)[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000246086233 341324450 /nfs/dbraw/zinc/32/44/50/341324450.db2.gz FGEQOWGUHKKSNK-KGLIPLIRSA-N 2 2 317.383 3.855 10 0 DHAELP CC(C)c1[nH+]c2c(n1C)CCN(c1cc[nH+]c3ccsc31)C2 ZINC000266367484 519869202 /nfs/dbraw/zinc/86/92/02/519869202.db2.gz LHGRLIVSODADKW-UHFFFAOYSA-N 2 2 312.442 3.716 10 0 DHAELP Cc1ccc(-c2nc(NCC3CC[NH2+]CC3)cc(C(C)C)[nH+]2)cc1 ZINC000070455986 525818258 /nfs/dbraw/zinc/81/82/58/525818258.db2.gz MSUUAQFYGXDTCR-UHFFFAOYSA-N 2 2 324.472 3.987 10 0 DHAELP CCC1CCC([NH2+]C[C@@H]2CC[N@H+](C)[C@H]2c2cccnc2)CC1 ZINC000328639892 527857979 /nfs/dbraw/zinc/85/79/79/527857979.db2.gz PUBFMBDIGKSTFV-UIDNRLJLSA-N 2 2 301.478 3.633 10 0 DHAELP CCC1CCC([NH2+]C[C@@H]2CC[N@@H+](C)[C@H]2c2cccnc2)CC1 ZINC000328639892 527857983 /nfs/dbraw/zinc/85/79/83/527857983.db2.gz PUBFMBDIGKSTFV-UIDNRLJLSA-N 2 2 301.478 3.633 10 0 DHAELP