smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc(C)cc1[C@H](C)[NH2+][C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000161062600 328124176 /nfs/dbraw/zinc/12/41/76/328124176.db2.gz BWAWULQXDKNTQJ-JYJNAYRXSA-N 2 1 290.451 3.527 20 70 CHIDMP CCOc1ccccc1[C@H](C)[NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000161116978 328132842 /nfs/dbraw/zinc/13/28/42/328132842.db2.gz OROUPYUCIJKJER-XHSDSOJGSA-N 2 1 290.451 3.609 20 70 CHIDMP CC[C@H]([NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1)c1ccccc1OC ZINC000161118938 522714216 /nfs/dbraw/zinc/71/42/16/522714216.db2.gz BGOFVSHJUGRCOK-VYDXJSESSA-N 2 1 290.451 3.609 20 70 CHIDMP COc1ccc(C)cc1[C@H](C)[NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000161062324 328124193 /nfs/dbraw/zinc/12/41/93/328124193.db2.gz BWAWULQXDKNTQJ-XHSDSOJGSA-N 2 1 290.451 3.527 20 70 CHIDMP Cc1cc(C)c([C@H](C)[NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]23)cc1C ZINC000217626500 333122401 /nfs/dbraw/zinc/12/24/01/333122401.db2.gz WOYMQABJYPSSRM-UHOSZYNNSA-N 2 1 286.463 3.889 20 70 CHIDMP Cc1cc(C)c([C@H](C)[NH2+][C@@H]2CC[N@H+]3CCCC[C@@H]23)cc1C ZINC000217626500 333122403 /nfs/dbraw/zinc/12/24/03/333122403.db2.gz WOYMQABJYPSSRM-UHOSZYNNSA-N 2 1 286.463 3.889 20 70 CHIDMP C1=CC[C@]2(CC1)CCC[N@H+](CCC[NH+]1CCCCC1)C2 ZINC000161360380 518576590 /nfs/dbraw/zinc/57/65/90/518576590.db2.gz DWGLBUVDXLWDKC-SFHVURJKSA-N 2 1 276.468 3.685 20 70 CHIDMP Cc1[nH+]ccn1CCCC[N@@H+](C)[C@H](C)c1ccccc1F ZINC000161426812 527392116 /nfs/dbraw/zinc/39/21/16/527392116.db2.gz LININKGEDUZXPA-CQSZACIVSA-N 2 1 289.398 3.804 20 70 CHIDMP Cc1[nH+]ccn1CCCC[N@H+](C)[C@H](C)c1ccccc1F ZINC000161426812 527392120 /nfs/dbraw/zinc/39/21/20/527392120.db2.gz LININKGEDUZXPA-CQSZACIVSA-N 2 1 289.398 3.804 20 70 CHIDMP C[C@@H](CC[NH2+]CC1([NH+](C)C)CCCC1)c1ccccc1 ZINC000160717045 330873931 /nfs/dbraw/zinc/87/39/31/330873931.db2.gz AWSASSNDZZYNHB-INIZCTEOSA-N 2 1 274.452 3.644 20 70 CHIDMP C[C@H](N[C@@H]1CC[N@H+]2CCCC[C@@H]12)c1ccc(Cl)cc1 ZINC000217655705 333122713 /nfs/dbraw/zinc/12/27/13/333122713.db2.gz JVDVZEQNDMISBO-MAZHCROVSA-N 2 1 278.827 3.617 20 70 CHIDMP C[C@H]([NH2+][C@@H]1CCN2CCCC[C@@H]12)c1ccc(Cl)cc1 ZINC000217655705 333122715 /nfs/dbraw/zinc/12/27/15/333122715.db2.gz JVDVZEQNDMISBO-MAZHCROVSA-N 2 1 278.827 3.617 20 70 CHIDMP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccc(Cl)cc1 ZINC000217655705 333122716 /nfs/dbraw/zinc/12/27/16/333122716.db2.gz JVDVZEQNDMISBO-MAZHCROVSA-N 2 1 278.827 3.617 20 70 CHIDMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12)c1ccc(Cl)cc1 ZINC000217655705 333122718 /nfs/dbraw/zinc/12/27/18/333122718.db2.gz JVDVZEQNDMISBO-MAZHCROVSA-N 2 1 278.827 3.617 20 70 CHIDMP CC[C@H]([NH2+][C@H]1CCC[C@H]([NH+](C)C)C1)c1ccccc1OC ZINC000161119162 522752218 /nfs/dbraw/zinc/75/22/18/522752218.db2.gz BGOFVSHJUGRCOK-ZOBUZTSGSA-N 2 1 290.451 3.609 20 70 CHIDMP C[C@@H]1CCCC[N@H+]1CCC[NH2+]Cc1coc2ccccc12 ZINC000161063394 524106613 /nfs/dbraw/zinc/10/66/13/524106613.db2.gz QLCXWHVWAQSKKB-OAHLLOKOSA-N 2 1 286.419 3.787 20 70 CHIDMP C[C@@H]1CCCC[N@@H+]1CCC[NH2+]Cc1coc2ccccc12 ZINC000161063394 524106606 /nfs/dbraw/zinc/10/66/06/524106606.db2.gz QLCXWHVWAQSKKB-OAHLLOKOSA-N 2 1 286.419 3.787 20 70 CHIDMP c1ccc2cc(C[NH2+][C@H]3CC[N@@H+]4CCCC[C@@H]34)ccc2c1 ZINC000217640298 333122258 /nfs/dbraw/zinc/12/22/58/333122258.db2.gz LOUNHFOHRSKILE-OALUTQOASA-N 2 1 280.415 3.556 20 70 CHIDMP c1ccc2cc(C[NH2+][C@H]3CC[N@H+]4CCCC[C@@H]34)ccc2c1 ZINC000217640298 333122259 /nfs/dbraw/zinc/12/22/59/333122259.db2.gz LOUNHFOHRSKILE-OALUTQOASA-N 2 1 280.415 3.556 20 70 CHIDMP Cc1cc([C@H](C)[NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]23)c(C)s1 ZINC000217629078 333122299 /nfs/dbraw/zinc/12/22/99/333122299.db2.gz AMUZHDNYEXBXGX-MAZHCROVSA-N 2 1 278.465 3.642 20 70 CHIDMP Cc1cc([C@H](C)[NH2+][C@@H]2CC[N@H+]3CCCC[C@@H]23)c(C)s1 ZINC000217629078 333122300 /nfs/dbraw/zinc/12/23/00/333122300.db2.gz AMUZHDNYEXBXGX-MAZHCROVSA-N 2 1 278.465 3.642 20 70 CHIDMP COc1ccc([C@H](C)[NH2+]C2CC[NH+](C)CC2)c2ccccc12 ZINC000161448437 261247095 /nfs/dbraw/zinc/24/70/95/261247095.db2.gz VQPAIYCPVVEZJR-AWEZNQCLSA-N 2 1 298.430 3.593 20 70 CHIDMP C[C@H]([NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1)c1ccc(Cl)s1 ZINC000161034003 328120216 /nfs/dbraw/zinc/12/02/16/328120216.db2.gz NJGHDIDZJIHRAU-TUAOUCFPSA-N 2 1 286.872 3.925 20 70 CHIDMP CC(C)c1ccc(CN[C@@H]2CC[N@H+]3CCCC[C@@H]23)cc1 ZINC000217654705 333122561 /nfs/dbraw/zinc/12/25/61/333122561.db2.gz NSNUHDKMVLWVTK-MSOLQXFVSA-N 2 1 272.436 3.526 20 70 CHIDMP CC(C)c1ccc(C[NH2+][C@@H]2CCN3CCCC[C@@H]23)cc1 ZINC000217654705 333122562 /nfs/dbraw/zinc/12/25/62/333122562.db2.gz NSNUHDKMVLWVTK-MSOLQXFVSA-N 2 1 272.436 3.526 20 70 CHIDMP CC(C)c1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000217654705 333122564 /nfs/dbraw/zinc/12/25/64/333122564.db2.gz NSNUHDKMVLWVTK-MSOLQXFVSA-N 2 1 272.436 3.526 20 70 CHIDMP CC(C)c1ccc(C[NH2+][C@@H]2CC[N@H+]3CCCC[C@@H]23)cc1 ZINC000217654705 333122566 /nfs/dbraw/zinc/12/25/66/333122566.db2.gz NSNUHDKMVLWVTK-MSOLQXFVSA-N 2 1 272.436 3.526 20 70 CHIDMP C[C@H](N[C@H]1CC[N@H+]2CCCC[C@@H]12)c1ccc(Cl)cc1 ZINC000217655876 333122724 /nfs/dbraw/zinc/12/27/24/333122724.db2.gz JVDVZEQNDMISBO-RCBQFDQVSA-N 2 1 278.827 3.617 20 70 CHIDMP C[C@H]([NH2+][C@H]1CCN2CCCC[C@@H]12)c1ccc(Cl)cc1 ZINC000217655876 333122725 /nfs/dbraw/zinc/12/27/25/333122725.db2.gz JVDVZEQNDMISBO-RCBQFDQVSA-N 2 1 278.827 3.617 20 70 CHIDMP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccc(Cl)cc1 ZINC000217655876 333122726 /nfs/dbraw/zinc/12/27/26/333122726.db2.gz JVDVZEQNDMISBO-RCBQFDQVSA-N 2 1 278.827 3.617 20 70 CHIDMP C[C@H]([NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12)c1ccc(Cl)cc1 ZINC000217655876 333122727 /nfs/dbraw/zinc/12/27/27/333122727.db2.gz JVDVZEQNDMISBO-RCBQFDQVSA-N 2 1 278.827 3.617 20 70 CHIDMP Cc1ccc([C@H](C)[NH2+][C@H]2CC[N@@H+]3CCCC[C@@H]23)c(C)c1 ZINC000217679957 333122930 /nfs/dbraw/zinc/12/29/30/333122930.db2.gz BDFINFGRKQCJSI-SZMVWBNQSA-N 2 1 272.436 3.581 20 70 CHIDMP Cc1ccc([C@H](C)[NH2+][C@H]2CC[N@H+]3CCCC[C@@H]23)c(C)c1 ZINC000217679957 333122931 /nfs/dbraw/zinc/12/29/31/333122931.db2.gz BDFINFGRKQCJSI-SZMVWBNQSA-N 2 1 272.436 3.581 20 70 CHIDMP CC[C@@H](C)[N@H+](C)CC[NH2+]C1CC(c2ccccc2Cl)C1 ZINC000217836183 333124321 /nfs/dbraw/zinc/12/43/21/333124321.db2.gz MEZMBKAICMDTOP-WLYUNCDWSA-N 2 1 294.870 3.906 20 70 CHIDMP CC[C@@H](C)[N@@H+](C)CC[NH2+]C1CC(c2ccccc2Cl)C1 ZINC000217836183 333124323 /nfs/dbraw/zinc/12/43/23/333124323.db2.gz MEZMBKAICMDTOP-WLYUNCDWSA-N 2 1 294.870 3.906 20 70 CHIDMP C1=CC[C@@]2(CC1)CCC[N@H+](CCC[NH+]1CCCCC1)C2 ZINC000161360526 518576259 /nfs/dbraw/zinc/57/62/59/518576259.db2.gz DWGLBUVDXLWDKC-GOSISDBHSA-N 2 1 276.468 3.685 20 70 CHIDMP CC(C)[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000161062487 519813071 /nfs/dbraw/zinc/81/30/71/519813071.db2.gz RMIZRANCTJXESJ-UXDRXVOSSA-N 2 1 286.463 3.816 20 70 CHIDMP CC[N@H+](CCC[NH+]1CCCCC1)[C@H](C)c1cccc(O)c1 ZINC000161397506 521014591 /nfs/dbraw/zinc/01/45/91/521014591.db2.gz BUAVJBUXJZKTPQ-MRXNPFEDSA-N 2 1 290.451 3.651 20 70 CHIDMP CC[N@@H+](CCC[NH+]1CCCCC1)[C@H](C)c1cccc(O)c1 ZINC000161397506 521014595 /nfs/dbraw/zinc/01/45/95/521014595.db2.gz BUAVJBUXJZKTPQ-MRXNPFEDSA-N 2 1 290.451 3.651 20 70 CHIDMP C[NH+](C)C1(C[NH2+]C2CC(c3ccccc3F)C2)CCCC1 ZINC000160671051 330873476 /nfs/dbraw/zinc/87/34/76/330873476.db2.gz DQOGONAVJVDBOY-UHFFFAOYSA-N 2 1 290.426 3.536 20 70 CHIDMP CCc1nc(C)c([C@@H](C)[NH2+][C@@H]2CCC[C@H]([NH+](C)C)C2)s1 ZINC000161012002 522225946 /nfs/dbraw/zinc/22/59/46/522225946.db2.gz HNAAZHSHGACBCJ-BNOWGMLFSA-N 2 1 295.496 3.537 20 70 CHIDMP CC[C@@H]1CCCC[C@@H]1[NH2+]CCCCn1cc[nH+]c1C ZINC000161425295 523196040 /nfs/dbraw/zinc/19/60/40/523196040.db2.gz PORRTESZQROWBW-CVEARBPZSA-N 2 1 263.429 3.530 20 70 CHIDMP CCc1ccc([C@@H](C)[NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)o1 ZINC000159641458 327548824 /nfs/dbraw/zinc/54/88/24/327548824.db2.gz RFDOOFPDVRTLQU-GFCCVEGCSA-N 2 1 278.440 3.802 20 70 CHIDMP C[C@@H](c1ccc2ccccc2c1)[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000217507021 333121264 /nfs/dbraw/zinc/12/12/64/333121264.db2.gz BUYASQPRJLQELC-GJZGRUSLSA-N 2 1 268.404 3.572 20 70 CHIDMP CC[C@@H]([NH2+][C@H]1CCC[C@H]([NH+](C)C)C1)c1ccccc1OC ZINC000161119275 522948352 /nfs/dbraw/zinc/94/83/52/522948352.db2.gz BGOFVSHJUGRCOK-YQQAZPJKSA-N 2 1 290.451 3.609 20 70 CHIDMP C[C@H]([NH2+][C@H]1CCC[C@H]([NH+](C)C)C1)c1ccc(Cl)s1 ZINC000161034288 328120144 /nfs/dbraw/zinc/12/01/44/328120144.db2.gz NJGHDIDZJIHRAU-SRVKXCTJSA-N 2 1 286.872 3.925 20 70 CHIDMP CCc1ccc([C@H](C)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)cc1 ZINC000217668283 333122483 /nfs/dbraw/zinc/12/24/83/333122483.db2.gz FYWAVYUZVAJWCB-QGTPRVQTSA-N 2 1 272.436 3.526 20 70 CHIDMP CCc1ccc([C@H](C)[NH2+][C@@H]2CCN3CCCC[C@@H]23)cc1 ZINC000217668283 333122484 /nfs/dbraw/zinc/12/24/84/333122484.db2.gz FYWAVYUZVAJWCB-QGTPRVQTSA-N 2 1 272.436 3.526 20 70 CHIDMP CCc1ccc([C@H](C)[NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000217668283 333122486 /nfs/dbraw/zinc/12/24/86/333122486.db2.gz FYWAVYUZVAJWCB-QGTPRVQTSA-N 2 1 272.436 3.526 20 70 CHIDMP CCc1ccc([C@H](C)[NH2+][C@@H]2CC[N@H+]3CCCC[C@@H]23)cc1 ZINC000217668283 333122487 /nfs/dbraw/zinc/12/24/87/333122487.db2.gz FYWAVYUZVAJWCB-QGTPRVQTSA-N 2 1 272.436 3.526 20 70 CHIDMP Cc1ccc([C@H](C)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)cc1C ZINC000217662093 333122729 /nfs/dbraw/zinc/12/27/29/333122729.db2.gz HENHVGIBNBVROP-JQHSSLGASA-N 2 1 272.436 3.581 20 70 CHIDMP Cc1ccc([C@H](C)[NH2+][C@@H]2CCN3CCCC[C@@H]23)cc1C ZINC000217662093 333122730 /nfs/dbraw/zinc/12/27/30/333122730.db2.gz HENHVGIBNBVROP-JQHSSLGASA-N 2 1 272.436 3.581 20 70 CHIDMP Cc1ccc([C@H](C)[NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]23)cc1C ZINC000217662093 333122731 /nfs/dbraw/zinc/12/27/31/333122731.db2.gz HENHVGIBNBVROP-JQHSSLGASA-N 2 1 272.436 3.581 20 70 CHIDMP Cc1ccc([C@H](C)[NH2+][C@@H]2CC[N@H+]3CCCC[C@@H]23)cc1C ZINC000217662093 333122732 /nfs/dbraw/zinc/12/27/32/333122732.db2.gz HENHVGIBNBVROP-JQHSSLGASA-N 2 1 272.436 3.581 20 70 CHIDMP CC[C@@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000161083889 522226168 /nfs/dbraw/zinc/22/61/68/522226168.db2.gz QLIBEUKWDJTYOZ-CCNLRDMRSA-N 2 1 272.436 3.570 20 70 CHIDMP C[C@H](CC[NH2+]CC1([NH+](C)C)CCCC1)c1ccccc1 ZINC000160717177 330873936 /nfs/dbraw/zinc/87/39/36/330873936.db2.gz AWSASSNDZZYNHB-MRXNPFEDSA-N 2 1 274.452 3.644 20 70 CHIDMP Cc1cc([C@H](C)[NH2+][C@H]2CC[N@@H+]3CCCC[C@@H]23)c(C)s1 ZINC000217629255 333122232 /nfs/dbraw/zinc/12/22/32/333122232.db2.gz AMUZHDNYEXBXGX-RCBQFDQVSA-N 2 1 278.465 3.642 20 70 CHIDMP Cc1cc([C@H](C)[NH2+][C@H]2CC[N@H+]3CCCC[C@@H]23)c(C)s1 ZINC000217629255 333122233 /nfs/dbraw/zinc/12/22/33/333122233.db2.gz AMUZHDNYEXBXGX-RCBQFDQVSA-N 2 1 278.465 3.642 20 70 CHIDMP CC(C)c1ccc(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)cc1 ZINC000218641444 333134362 /nfs/dbraw/zinc/13/43/62/333134362.db2.gz GALXETAEKRUEOP-HDMKZQKVSA-N 2 1 274.452 3.628 20 70 CHIDMP CC[C@H]1CCCC[C@@H]1[NH2+]CCCCn1cc[nH+]c1C ZINC000161425426 523042135 /nfs/dbraw/zinc/04/21/35/523042135.db2.gz PORRTESZQROWBW-HOTGVXAUSA-N 2 1 263.429 3.530 20 70 CHIDMP C[NH+]1CCC([NH2+][C@@H]2CCCCc3ccc(Cl)cc32)CC1 ZINC000161480164 523778500 /nfs/dbraw/zinc/77/85/00/523778500.db2.gz OEQYWJFINBMSRL-QGZVFWFLSA-N 2 1 292.854 3.791 20 70 CHIDMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C1(C)CC1 ZINC000161095069 328129348 /nfs/dbraw/zinc/12/93/48/328129348.db2.gz OWQHVQYGDKFOPJ-UXDRXVOSSA-N 2 1 298.474 3.960 20 70 CHIDMP Cc1cccc(CC[C@H](C)[NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]23)c1 ZINC000217907467 333124996 /nfs/dbraw/zinc/12/49/96/333124996.db2.gz LREXIOXDTSPTLM-UHOSZYNNSA-N 2 1 286.463 3.533 20 70 CHIDMP Cc1cccc(CC[C@H](C)[NH2+][C@@H]2CC[N@H+]3CCCC[C@@H]23)c1 ZINC000217907467 333124997 /nfs/dbraw/zinc/12/49/97/333124997.db2.gz LREXIOXDTSPTLM-UHOSZYNNSA-N 2 1 286.463 3.533 20 70 CHIDMP C[NH+]1CCC([NH2+][C@H]2CCCCc3ccc(Cl)cc32)CC1 ZINC000161480271 523778381 /nfs/dbraw/zinc/77/83/81/523778381.db2.gz OEQYWJFINBMSRL-KRWDZBQOSA-N 2 1 292.854 3.791 20 70 CHIDMP COc1ccc([C@@H](C)[NH2+]C2CC[NH+](C)CC2)c2ccccc12 ZINC000161448562 261246737 /nfs/dbraw/zinc/24/67/37/261246737.db2.gz VQPAIYCPVVEZJR-CQSZACIVSA-N 2 1 298.430 3.593 20 70 CHIDMP C1CC1[NH+]1CCC([NH2+][C@H]2CC[C@H]3CCCC[C@@H]3C2)CC1 ZINC000217791110 333123892 /nfs/dbraw/zinc/12/38/92/333123892.db2.gz XFPZYZCNZNNMGR-INMHGKMJSA-N 2 1 276.468 3.562 20 70 CHIDMP CCc1nc(C)c([C@@H](C)[NH2+][C@H]2CCC[C@H]([NH+](C)C)C2)s1 ZINC000161012266 522225574 /nfs/dbraw/zinc/22/55/74/522225574.db2.gz HNAAZHSHGACBCJ-XBFCOCLRSA-N 2 1 295.496 3.537 20 70 CHIDMP CC(C)c1ccc(CN[C@H]2CC[N@H+]3CCCC[C@@H]23)cc1 ZINC000217654806 333122522 /nfs/dbraw/zinc/12/25/22/333122522.db2.gz NSNUHDKMVLWVTK-ROUUACIJSA-N 2 1 272.436 3.526 20 70 CHIDMP CC(C)c1ccc(C[NH2+][C@H]2CCN3CCCC[C@@H]23)cc1 ZINC000217654806 333122523 /nfs/dbraw/zinc/12/25/23/333122523.db2.gz NSNUHDKMVLWVTK-ROUUACIJSA-N 2 1 272.436 3.526 20 70 CHIDMP CC(C)c1ccc(C[NH2+][C@H]2CC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000217654806 333122525 /nfs/dbraw/zinc/12/25/25/333122525.db2.gz NSNUHDKMVLWVTK-ROUUACIJSA-N 2 1 272.436 3.526 20 70 CHIDMP CC(C)c1ccc(C[NH2+][C@H]2CC[N@H+]3CCCC[C@@H]23)cc1 ZINC000217654806 333122527 /nfs/dbraw/zinc/12/25/27/333122527.db2.gz NSNUHDKMVLWVTK-ROUUACIJSA-N 2 1 272.436 3.526 20 70 CHIDMP CC(C)c1ccc(C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)cc1 ZINC000218641611 333134379 /nfs/dbraw/zinc/13/43/79/333134379.db2.gz GALXETAEKRUEOP-RLFYNMQTSA-N 2 1 274.452 3.628 20 70 CHIDMP CCc1nc(C)c([C@H](C)[NH2+][C@H]2CCC[C@H]([NH+](C)C)C2)s1 ZINC000161012406 522234398 /nfs/dbraw/zinc/23/43/98/522234398.db2.gz HNAAZHSHGACBCJ-UBHSHLNASA-N 2 1 295.496 3.537 20 70 CHIDMP CC[C@@H]([NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1)c1ccccc1OC ZINC000161119065 522924677 /nfs/dbraw/zinc/92/46/77/522924677.db2.gz BGOFVSHJUGRCOK-HLLBOEOZSA-N 2 1 290.451 3.609 20 70 CHIDMP Cc1ccc(C)c([C@H](C)[NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]23)c1 ZINC000217639571 333122308 /nfs/dbraw/zinc/12/23/08/333122308.db2.gz FUGUQYHACDBWBM-JQHSSLGASA-N 2 1 272.436 3.581 20 70 CHIDMP Cc1ccc(C)c([C@H](C)[NH2+][C@@H]2CC[N@H+]3CCCC[C@@H]23)c1 ZINC000217639571 333122309 /nfs/dbraw/zinc/12/23/09/333122309.db2.gz FUGUQYHACDBWBM-JQHSSLGASA-N 2 1 272.436 3.581 20 70 CHIDMP CCc1ccc([C@H](C)N[C@H]2CC[N@H+]3CCCC[C@@H]23)cc1 ZINC000217668462 333122699 /nfs/dbraw/zinc/12/26/99/333122699.db2.gz FYWAVYUZVAJWCB-WBAXXEDZSA-N 2 1 272.436 3.526 20 70 CHIDMP CCc1ccc([C@H](C)[NH2+][C@H]2CCN3CCCC[C@@H]23)cc1 ZINC000217668462 333122700 /nfs/dbraw/zinc/12/27/00/333122700.db2.gz FYWAVYUZVAJWCB-WBAXXEDZSA-N 2 1 272.436 3.526 20 70 CHIDMP CCc1ccc([C@H](C)[NH2+][C@H]2CC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000217668462 333122702 /nfs/dbraw/zinc/12/27/02/333122702.db2.gz FYWAVYUZVAJWCB-WBAXXEDZSA-N 2 1 272.436 3.526 20 70 CHIDMP CCc1ccc([C@H](C)[NH2+][C@H]2CC[N@H+]3CCCC[C@@H]23)cc1 ZINC000217668462 333122704 /nfs/dbraw/zinc/12/27/04/333122704.db2.gz FYWAVYUZVAJWCB-WBAXXEDZSA-N 2 1 272.436 3.526 20 70 CHIDMP CC[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)C1CC1 ZINC000160766864 328083887 /nfs/dbraw/zinc/08/38/87/328083887.db2.gz GXCBAVBJMGHLBG-ZYSHUDEJSA-N 2 1 286.463 3.675 20 70 CHIDMP CC[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)C1CC1 ZINC000160766864 328083888 /nfs/dbraw/zinc/08/38/88/328083888.db2.gz GXCBAVBJMGHLBG-ZYSHUDEJSA-N 2 1 286.463 3.675 20 70 CHIDMP C[C@H]([NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1)c1cc2ccccc2o1 ZINC000161127861 328135435 /nfs/dbraw/zinc/13/54/35/328135435.db2.gz RIHRVXKZEWKKBT-IMJJTQAJSA-N 2 1 286.419 3.956 20 70 CHIDMP CC(C)(C)[NH+]1CCC([NH2+]Cc2cc(F)cc(Cl)c2)CC1 ZINC000160902813 330879195 /nfs/dbraw/zinc/87/91/95/330879195.db2.gz SHANNOSZGKIZJX-UHFFFAOYSA-N 2 1 298.833 3.832 20 70 CHIDMP C1CC1[NH+]1CCC([NH2+][C@@H]2CC[C@H]3CCCC[C@@H]3C2)CC1 ZINC000217791029 333123978 /nfs/dbraw/zinc/12/39/78/333123978.db2.gz XFPZYZCNZNNMGR-BFYDXBDKSA-N 2 1 276.468 3.562 20 70 CHIDMP CC(C)(C)[NH+]1CCC([NH2+]Cc2coc3ccccc23)CC1 ZINC000161093502 518708210 /nfs/dbraw/zinc/70/82/10/518708210.db2.gz GDFRXYSUEPQFIV-UHFFFAOYSA-N 2 1 286.419 3.785 20 70 CHIDMP Cc1ccc([C@H](C)N[C@H]2CC[N@H+]3CCCC[C@@H]23)cc1C ZINC000217662239 333122737 /nfs/dbraw/zinc/12/27/37/333122737.db2.gz HENHVGIBNBVROP-SZMVWBNQSA-N 2 1 272.436 3.581 20 70 CHIDMP Cc1ccc([C@H](C)[NH2+][C@H]2CCN3CCCC[C@@H]23)cc1C ZINC000217662239 333122738 /nfs/dbraw/zinc/12/27/38/333122738.db2.gz HENHVGIBNBVROP-SZMVWBNQSA-N 2 1 272.436 3.581 20 70 CHIDMP Cc1ccc([C@H](C)[NH2+][C@H]2CC[N@@H+]3CCCC[C@@H]23)cc1C ZINC000217662239 333122739 /nfs/dbraw/zinc/12/27/39/333122739.db2.gz HENHVGIBNBVROP-SZMVWBNQSA-N 2 1 272.436 3.581 20 70 CHIDMP Cc1ccc([C@H](C)[NH2+][C@H]2CC[N@H+]3CCCC[C@@H]23)cc1C ZINC000217662239 333122740 /nfs/dbraw/zinc/12/27/40/333122740.db2.gz HENHVGIBNBVROP-SZMVWBNQSA-N 2 1 272.436 3.581 20 70 CHIDMP Cc1ccc([C@H](C)[NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]23)c(C)c1 ZINC000217679790 333122958 /nfs/dbraw/zinc/12/29/58/333122958.db2.gz BDFINFGRKQCJSI-JQHSSLGASA-N 2 1 272.436 3.581 20 70 CHIDMP Cc1ccc([C@H](C)[NH2+][C@@H]2CC[N@H+]3CCCC[C@@H]23)c(C)c1 ZINC000217679790 333122959 /nfs/dbraw/zinc/12/29/59/333122959.db2.gz BDFINFGRKQCJSI-JQHSSLGASA-N 2 1 272.436 3.581 20 70 CHIDMP CCSc1ccccc1[C@H](C)[NH2+]C1CC[NH+](C)CC1 ZINC000161457628 521781040 /nfs/dbraw/zinc/78/10/40/521781040.db2.gz RWMMPZRVPOJPTG-ZDUSSCGKSA-N 2 1 278.465 3.543 20 70 CHIDMP C[C@@H](c1ccc(C(C)(C)C)cc1)[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000217512167 333121373 /nfs/dbraw/zinc/12/13/73/333121373.db2.gz OVUOBCBANDDYFV-GJZGRUSLSA-N 2 1 274.452 3.716 20 70 CHIDMP Cc1ccc(C)c([C@H](C)[NH2+][C@H]2CC[N@@H+]3CCCC[C@@H]23)c1 ZINC000217639737 333122242 /nfs/dbraw/zinc/12/22/42/333122242.db2.gz FUGUQYHACDBWBM-SZMVWBNQSA-N 2 1 272.436 3.581 20 70 CHIDMP Cc1ccc(C)c([C@H](C)[NH2+][C@H]2CC[N@H+]3CCCC[C@@H]23)c1 ZINC000217639737 333122243 /nfs/dbraw/zinc/12/22/43/333122243.db2.gz FUGUQYHACDBWBM-SZMVWBNQSA-N 2 1 272.436 3.581 20 70 CHIDMP CCOc1ccccc1[C@H](C)[NH2+][C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000161117183 328132943 /nfs/dbraw/zinc/13/29/43/328132943.db2.gz OROUPYUCIJKJER-JYJNAYRXSA-N 2 1 290.451 3.609 20 70 CHIDMP CC[N@H+](CCC[NH+]1CCCCC1)[C@@H](C)c1cccc(O)c1 ZINC000161397363 521012759 /nfs/dbraw/zinc/01/27/59/521012759.db2.gz BUAVJBUXJZKTPQ-INIZCTEOSA-N 2 1 290.451 3.651 20 70 CHIDMP CC[N@@H+](CCC[NH+]1CCCCC1)[C@@H](C)c1cccc(O)c1 ZINC000161397363 521012768 /nfs/dbraw/zinc/01/27/68/521012768.db2.gz BUAVJBUXJZKTPQ-INIZCTEOSA-N 2 1 290.451 3.651 20 70 CHIDMP Cc1[nH+]ccn1CCCC[N@@H+](C)[C@@H](C)c1ccccc1F ZINC000161426680 527392312 /nfs/dbraw/zinc/39/23/12/527392312.db2.gz LININKGEDUZXPA-AWEZNQCLSA-N 2 1 289.398 3.804 20 70 CHIDMP Cc1[nH+]ccn1CCCC[N@H+](C)[C@@H](C)c1ccccc1F ZINC000161426680 527392317 /nfs/dbraw/zinc/39/23/17/527392317.db2.gz LININKGEDUZXPA-AWEZNQCLSA-N 2 1 289.398 3.804 20 70 CHIDMP CCc1nc(C)c([C@H](C)[NH2+][C@@H]2CCC[C@H]([NH+](C)C)C2)s1 ZINC000161012139 522233823 /nfs/dbraw/zinc/23/38/23/522233823.db2.gz HNAAZHSHGACBCJ-YUTCNCBUSA-N 2 1 295.496 3.537 20 70 CHIDMP CC[C@@H]1CCCC[C@H]1[NH2+]CCCCn1cc[nH+]c1C ZINC000161425573 523221257 /nfs/dbraw/zinc/22/12/57/523221257.db2.gz PORRTESZQROWBW-HZPDHXFCSA-N 2 1 263.429 3.530 20 70 CHIDMP CCSc1ccccc1[C@@H](C)[NH2+]C1CC[NH+](C)CC1 ZINC000161457502 521780945 /nfs/dbraw/zinc/78/09/45/521780945.db2.gz RWMMPZRVPOJPTG-CYBMUJFWSA-N 2 1 278.465 3.543 20 70 CHIDMP CC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C1CC1 ZINC000161100647 522564077 /nfs/dbraw/zinc/56/40/77/522564077.db2.gz KKAHQCKYJJOWOM-NXEWRWPSSA-N 2 1 298.474 3.960 20 70 CHIDMP C[C@H]1CCCC[N@@H+]1CCC[NH2+]Cc1coc2ccccc12 ZINC000161063523 526249172 /nfs/dbraw/zinc/24/91/72/526249172.db2.gz QLCXWHVWAQSKKB-HNNXBMFYSA-N 2 1 286.419 3.787 20 70 CHIDMP C[C@H]1CCCC[N@H+]1CCC[NH2+]Cc1coc2ccccc12 ZINC000161063523 526249174 /nfs/dbraw/zinc/24/91/74/526249174.db2.gz QLCXWHVWAQSKKB-HNNXBMFYSA-N 2 1 286.419 3.787 20 70 CHIDMP CC(C)(C)c1ccc(C[NH2+][C@H]2CC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000217640109 333122381 /nfs/dbraw/zinc/12/23/81/333122381.db2.gz BQIOBZNJSWPFCJ-ROUUACIJSA-N 2 1 286.463 3.701 20 70 CHIDMP CC(C)(C)c1ccc(C[NH2+][C@H]2CC[N@H+]3CCCC[C@@H]23)cc1 ZINC000217640109 333122383 /nfs/dbraw/zinc/12/23/83/333122383.db2.gz BQIOBZNJSWPFCJ-ROUUACIJSA-N 2 1 286.463 3.701 20 70 CHIDMP C[C@H]([NH2+][C@H]1CCC[C@H]([NH+](C)C)C1)c1cc2ccccc2o1 ZINC000161128107 328135597 /nfs/dbraw/zinc/13/55/97/328135597.db2.gz RIHRVXKZEWKKBT-BPUTZDHNSA-N 2 1 286.419 3.956 20 70 CHIDMP CCCC[NH+]1CCC([NH2+]Cc2cc(F)cc(Cl)c2)CC1 ZINC000160886906 330878819 /nfs/dbraw/zinc/87/88/19/330878819.db2.gz PNKKUMSRZTTYJD-UHFFFAOYSA-N 2 1 298.833 3.833 20 70 CHIDMP CC(C)[C@@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000161062359 519792320 /nfs/dbraw/zinc/79/23/20/519792320.db2.gz RMIZRANCTJXESJ-BPIHKTFHSA-N 2 1 286.463 3.816 20 70 CHIDMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C1(C)CC1 ZINC000161095167 328129377 /nfs/dbraw/zinc/12/93/77/328129377.db2.gz OWQHVQYGDKFOPJ-BPIHKTFHSA-N 2 1 298.474 3.960 20 70 CHIDMP CC(C)[C@H]1CC[C@@H](C)C[C@@H]1[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000217791303 333123866 /nfs/dbraw/zinc/12/38/66/333123866.db2.gz JXHAAANFHBYKNX-OLMNPRSZSA-N 2 1 278.484 3.664 20 70 CHIDMP C[C@H](N[C@H]1CC[N@H+]2CCCC[C@@H]12)c1cccc(Cl)c1 ZINC000217660208 333122746 /nfs/dbraw/zinc/12/27/46/333122746.db2.gz SYHDLJIBMPQDEL-RCBQFDQVSA-N 2 1 278.827 3.617 20 70 CHIDMP C[C@H]([NH2+][C@H]1CCN2CCCC[C@@H]12)c1cccc(Cl)c1 ZINC000217660208 333122747 /nfs/dbraw/zinc/12/27/47/333122747.db2.gz SYHDLJIBMPQDEL-RCBQFDQVSA-N 2 1 278.827 3.617 20 70 CHIDMP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12)c1cccc(Cl)c1 ZINC000217660208 333122748 /nfs/dbraw/zinc/12/27/48/333122748.db2.gz SYHDLJIBMPQDEL-RCBQFDQVSA-N 2 1 278.827 3.617 20 70 CHIDMP C[C@H]([NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12)c1cccc(Cl)c1 ZINC000217660208 333122749 /nfs/dbraw/zinc/12/27/49/333122749.db2.gz SYHDLJIBMPQDEL-RCBQFDQVSA-N 2 1 278.827 3.617 20 70 CHIDMP Cc1cccc(CC[C@H](C)[NH2+][C@H]2CC[N@@H+]3CCCC[C@@H]23)c1 ZINC000217907643 333125122 /nfs/dbraw/zinc/12/51/22/333125122.db2.gz LREXIOXDTSPTLM-WDSOQIARSA-N 2 1 286.463 3.533 20 70 CHIDMP Cc1cccc(CC[C@H](C)[NH2+][C@H]2CC[N@H+]3CCCC[C@@H]23)c1 ZINC000217907643 333125124 /nfs/dbraw/zinc/12/51/24/333125124.db2.gz LREXIOXDTSPTLM-WDSOQIARSA-N 2 1 286.463 3.533 20 70 CHIDMP CC[C@@H](c1ccc(Cl)cc1)[N@@H+]1CCC[C@@H](C[NH2+]C)C1 ZINC000218070739 333126329 /nfs/dbraw/zinc/12/63/29/333126329.db2.gz KRIORTWDKZUCMT-BBRMVZONSA-N 2 1 280.843 3.723 20 70 CHIDMP CC[C@@H](c1ccc(Cl)cc1)[N@H+]1CCC[C@@H](C[NH2+]C)C1 ZINC000218070739 333126330 /nfs/dbraw/zinc/12/63/30/333126330.db2.gz KRIORTWDKZUCMT-BBRMVZONSA-N 2 1 280.843 3.723 20 70 CHIDMP CC[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000161084039 524003553 /nfs/dbraw/zinc/00/35/53/524003553.db2.gz QLIBEUKWDJTYOZ-MIGBEJBISA-N 2 1 272.436 3.570 20 70 CHIDMP CC(C)C[C@H]([NH2+][C@H]1CCC[C@H]([NH+](C)C)C1)c1ccccn1 ZINC000161014225 327671878 /nfs/dbraw/zinc/67/18/78/327671878.db2.gz JULRZFHNFBLVHQ-BQFCYCMXSA-N 2 1 289.467 3.631 20 70 CHIDMP CC[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)C1CC1 ZINC000160767120 328083883 /nfs/dbraw/zinc/08/38/83/328083883.db2.gz GXCBAVBJMGHLBG-SNRMKQJTSA-N 2 1 286.463 3.675 20 70 CHIDMP CC[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)C1CC1 ZINC000160767120 328083884 /nfs/dbraw/zinc/08/38/84/328083884.db2.gz GXCBAVBJMGHLBG-SNRMKQJTSA-N 2 1 286.463 3.675 20 70 CHIDMP CCCC1CCC([NH2+][C@H]2CC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000217633479 333122151 /nfs/dbraw/zinc/12/21/51/333122151.db2.gz KBXZCINJJOAJOR-GQGLESIBSA-N 2 1 264.457 3.562 20 70 CHIDMP CCCC1CCC([NH2+][C@H]2CC[N@H+]3CCCC[C@@H]23)CC1 ZINC000217633479 333122152 /nfs/dbraw/zinc/12/21/52/333122152.db2.gz KBXZCINJJOAJOR-GQGLESIBSA-N 2 1 264.457 3.562 20 70 CHIDMP C[NH+](C)C1(C[NH2+][C@H]2CCC[C@H](C(F)(F)F)C2)CCCC1 ZINC000160680915 260084562 /nfs/dbraw/zinc/08/45/62/260084562.db2.gz WSIQCYRLSZAUKW-STQMWFEESA-N 2 1 292.389 3.572 20 70 CHIDMP c1ccc2cc(C[NH2+][C@@H]3CC[N@@H+]4CCCC[C@@H]34)ccc2c1 ZINC000217640216 333122223 /nfs/dbraw/zinc/12/22/23/333122223.db2.gz LOUNHFOHRSKILE-MOPGFXCFSA-N 2 1 280.415 3.556 20 70 CHIDMP c1ccc2cc(C[NH2+][C@@H]3CC[N@H+]4CCCC[C@@H]34)ccc2c1 ZINC000217640216 333122225 /nfs/dbraw/zinc/12/22/25/333122225.db2.gz LOUNHFOHRSKILE-MOPGFXCFSA-N 2 1 280.415 3.556 20 70 CHIDMP CC(C)(C)c1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000217640023 333122267 /nfs/dbraw/zinc/12/22/67/333122267.db2.gz BQIOBZNJSWPFCJ-MSOLQXFVSA-N 2 1 286.463 3.701 20 70 CHIDMP CC(C)(C)c1ccc(C[NH2+][C@@H]2CC[N@H+]3CCCC[C@@H]23)cc1 ZINC000217640023 333122268 /nfs/dbraw/zinc/12/22/68/333122268.db2.gz BQIOBZNJSWPFCJ-MSOLQXFVSA-N 2 1 286.463 3.701 20 70 CHIDMP C[C@H](N[C@@H]1CC[N@H+]2CCCC[C@@H]12)c1cccc(Cl)c1 ZINC000217660040 333122661 /nfs/dbraw/zinc/12/26/61/333122661.db2.gz SYHDLJIBMPQDEL-MAZHCROVSA-N 2 1 278.827 3.617 20 70 CHIDMP C[C@H]([NH2+][C@@H]1CCN2CCCC[C@@H]12)c1cccc(Cl)c1 ZINC000217660040 333122663 /nfs/dbraw/zinc/12/26/63/333122663.db2.gz SYHDLJIBMPQDEL-MAZHCROVSA-N 2 1 278.827 3.617 20 70 CHIDMP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1cccc(Cl)c1 ZINC000217660040 333122665 /nfs/dbraw/zinc/12/26/65/333122665.db2.gz SYHDLJIBMPQDEL-MAZHCROVSA-N 2 1 278.827 3.617 20 70 CHIDMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12)c1cccc(Cl)c1 ZINC000217660040 333122667 /nfs/dbraw/zinc/12/26/67/333122667.db2.gz SYHDLJIBMPQDEL-MAZHCROVSA-N 2 1 278.827 3.617 20 70 CHIDMP CCCC1CCC([NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000217633379 333122136 /nfs/dbraw/zinc/12/21/36/333122136.db2.gz KBXZCINJJOAJOR-BACDZXNISA-N 2 1 264.457 3.562 20 70 CHIDMP CCCC1CCC([NH2+][C@@H]2CC[N@H+]3CCCC[C@@H]23)CC1 ZINC000217633379 333122137 /nfs/dbraw/zinc/12/21/37/333122137.db2.gz KBXZCINJJOAJOR-BACDZXNISA-N 2 1 264.457 3.562 20 70 CHIDMP CC[C@H]1CCCC[C@H]1[NH2+]CCCCn1cc[nH+]c1C ZINC000161425709 523060785 /nfs/dbraw/zinc/06/07/85/523060785.db2.gz PORRTESZQROWBW-JKSUJKDBSA-N 2 1 263.429 3.530 20 70 CHIDMP C[NH+](C)C1(C[NH2+][C@H]2CCC[C@@H](C(F)(F)F)C2)CCCC1 ZINC000160681138 260084385 /nfs/dbraw/zinc/08/43/85/260084385.db2.gz WSIQCYRLSZAUKW-OLZOCXBDSA-N 2 1 292.389 3.572 20 70 CHIDMP CC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C1CC1 ZINC000161100768 522812722 /nfs/dbraw/zinc/81/27/22/522812722.db2.gz KKAHQCKYJJOWOM-RAFMOHDBSA-N 2 1 298.474 3.960 20 70 CHIDMP Cc1ccccc1C1CC([NH2+]CC2([NH+](C)C)CCCC2)C1 ZINC000160708876 330873941 /nfs/dbraw/zinc/87/39/41/330873941.db2.gz QERBUDSMVCYPRX-UHFFFAOYSA-N 2 1 286.463 3.705 20 70 CHIDMP