smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1cc2c(cc1OCc1ccccc1)C(/C=C/c1ccc(OCc3ccccc3)cc1)=[NH+]CC2 ZINC000003848750 194364630 /nfs/dbraw/zinc/36/46/30/194364630.db2.gz FZUKNYZDAQKGKQ-SAPNQHFASA-N 1 2 475.588 6.912 40 0 JKABLO CSc1ccc([C@@H]2C(C(=O)Nc3ccc(Cl)cc3)=C(C)Nc3[nH+]c4ccccc4n32)cc1 ZINC000020797411 195225957 /nfs/dbraw/zinc/22/59/57/195225957.db2.gz PCTODBIPCONZAD-HSZRJFAPSA-N 1 2 460.990 6.339 40 0 JKABLO CC1=C(C(=O)Nc2ccccc2)[C@@H](c2cccc(Br)c2)n2c3ccccc3[nH+]c2N1 ZINC000020797288 195226089 /nfs/dbraw/zinc/22/60/89/195226089.db2.gz CJIAOBYMCLBOSF-JOCHJYFZSA-N 1 2 459.347 5.726 40 0 JKABLO COc1ccc([C@H]2C(C(=O)Nc3ccc(Cl)cc3)=C(C)Nc3[nH+]c4ccccc4n32)cc1OC ZINC000020797552 195226118 /nfs/dbraw/zinc/22/61/18/195226118.db2.gz XKJJGQGRVINBAY-DEOSSOPVSA-N 1 2 474.948 5.635 40 0 JKABLO CCc1ccc(NC(=O)C2=C(C)Nc3[nH+]c4ccccc4n3[C@H]2c2ccc(C(C)C)cc2)cc1 ZINC000020970025 195257413 /nfs/dbraw/zinc/25/74/13/195257413.db2.gz FWUFWIYIJNVVLQ-MHZLTWQESA-N 1 2 450.586 6.650 40 0 JKABLO CC1=C(C(=O)Nc2cccc(C(F)(F)F)c2)[C@@H](c2ccc(Cl)cc2)n2c3ccccc3[nH+]c2N1 ZINC000020969997 195257435 /nfs/dbraw/zinc/25/74/35/195257435.db2.gz QVGSKNJQMQAWAN-JOCHJYFZSA-N 1 2 482.893 6.636 40 0 JKABLO CCc1ccc(NC(=O)C2=C(C)Nc3[nH+]c4ccccc4n3[C@@H]2c2ccc(SC)cc2)cc1 ZINC000020970037 195257450 /nfs/dbraw/zinc/25/74/50/195257450.db2.gz HLXYSBDRMCZEOF-RUZDIDTESA-N 1 2 454.599 6.248 40 0 JKABLO COc1ccc(NC(=O)C2=C(C)Nc3[nH+]c4ccccc4n3[C@H]2c2ccc(SC)cc2)cc1 ZINC000020970251 195257683 /nfs/dbraw/zinc/25/76/83/195257683.db2.gz BZZSNRXILHFNCI-DEOSSOPVSA-N 1 2 456.571 5.694 40 0 JKABLO CCc1ccc(NC(=O)C2=C(C)Nc3[nH+]c4ccccc4n3[C@@H]2c2ccc(O)c(OC)c2)cc1 ZINC000020970224 195257710 /nfs/dbraw/zinc/25/77/10/195257710.db2.gz BIZMYHZASSIXMU-RUZDIDTESA-N 1 2 454.530 5.241 40 0 JKABLO CCc1ccc(NC(=O)C2=C(C)Nc3[nH+]c4ccccc4n3[C@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000020970220 195257721 /nfs/dbraw/zinc/25/77/21/195257721.db2.gz SRFFTFBLSHASIN-SANMLTNESA-N 1 2 468.557 5.544 40 0 JKABLO CCOc1ccccc1NC(=O)C1=C(C)Nc2[nH+]c3ccccc3n2[C@H]1c1ccc(Cl)cc1 ZINC000021005528 195265650 /nfs/dbraw/zinc/26/56/50/195265650.db2.gz MPCPEISHFGQSAF-DEOSSOPVSA-N 1 2 458.949 6.016 40 0 JKABLO CCOc1cc([C@@H]2C(C(=O)Nc3ccccc3Cl)=C(C)Nc3[nH+]c4ccccc4n32)ccc1O ZINC000021005519 195265699 /nfs/dbraw/zinc/26/56/99/195265699.db2.gz BHOJTZNKSSFECF-XMMPIXPASA-N 1 2 474.948 5.722 40 0 JKABLO Cc1ccc(C)c2[nH]c(=O)c([C@@H](c3nnnn3C3CCCC3)[N@H+]3CC=C(c4ccc(F)cc4)CC3)cc12 ZINC000057589855 195351817 /nfs/dbraw/zinc/35/18/17/195351817.db2.gz VVFQUVKEVKJLMA-MHZLTWQESA-N 1 2 498.606 5.264 40 0 JKABLO Cc1ccc(C)c2[nH]c(=O)c([C@@H](c3nnnn3C3CCCC3)[N@@H+]3CC=C(c4ccc(F)cc4)CC3)cc12 ZINC000057589855 195351820 /nfs/dbraw/zinc/35/18/20/195351820.db2.gz VVFQUVKEVKJLMA-MHZLTWQESA-N 1 2 498.606 5.264 40 0 JKABLO CCc1ccc2[nH]c(=O)c(C[N@@H+](Cc3ccc(C)cc3)[C@H](CC)c3nnnn3C(C)(C)CC)cc2c1 ZINC000057640657 195354038 /nfs/dbraw/zinc/35/40/38/195354038.db2.gz GIRALDRALDVPBT-AREMUKBSSA-N 1 2 486.664 5.684 40 0 JKABLO CCc1ccc2[nH]c(=O)c(C[N@H+](Cc3ccc(C)cc3)[C@H](CC)c3nnnn3C(C)(C)CC)cc2c1 ZINC000057640657 195354041 /nfs/dbraw/zinc/35/40/41/195354041.db2.gz GIRALDRALDVPBT-AREMUKBSSA-N 1 2 486.664 5.684 40 0 JKABLO CCc1ccc2[nH]c(=O)c(C[N@@H+](Cc3ccccc3)[C@@H](CC)c3nnnn3C3CCCC3)cc2c1 ZINC000057640582 195354242 /nfs/dbraw/zinc/35/42/42/195354242.db2.gz UTCMMAUCKLENEA-SANMLTNESA-N 1 2 470.621 5.346 40 0 JKABLO CCc1ccc2[nH]c(=O)c(C[N@H+](Cc3ccccc3)[C@@H](CC)c3nnnn3C3CCCC3)cc2c1 ZINC000057640582 195354245 /nfs/dbraw/zinc/35/42/45/195354245.db2.gz UTCMMAUCKLENEA-SANMLTNESA-N 1 2 470.621 5.346 40 0 JKABLO CC[C@H](c1nnnn1C(C)(C)CC)[N@H+](Cc1ccc(F)cc1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000057640704 195354541 /nfs/dbraw/zinc/35/45/41/195354541.db2.gz KJACRMNKCDHNST-XMMPIXPASA-N 1 2 476.600 5.261 40 0 JKABLO CC[C@H](c1nnnn1C(C)(C)CC)[N@@H+](Cc1ccc(F)cc1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000057640704 195354544 /nfs/dbraw/zinc/35/45/44/195354544.db2.gz KJACRMNKCDHNST-XMMPIXPASA-N 1 2 476.600 5.261 40 0 JKABLO CC[C@H](c1nnnn1Cc1ccccc1)[N@H+](Cc1ccc(C)cc1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000057640808 195354777 /nfs/dbraw/zinc/35/47/77/195354777.db2.gz GWSCFCWWTIDSCR-MUUNZHRXSA-N 1 2 492.627 5.333 40 0 JKABLO CC[C@H](c1nnnn1Cc1ccccc1)[N@@H+](Cc1ccc(C)cc1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000057640808 195354779 /nfs/dbraw/zinc/35/47/79/195354779.db2.gz GWSCFCWWTIDSCR-MUUNZHRXSA-N 1 2 492.627 5.333 40 0 JKABLO CC[C@@H](c1nnnn1C1CCCCC1)[N@H+](Cc1cccs1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000057640973 195355015 /nfs/dbraw/zinc/35/50/15/195355015.db2.gz YYQJATKJJQZHJT-DEOSSOPVSA-N 1 2 492.649 5.243 40 0 JKABLO CC[C@@H](c1nnnn1C1CCCCC1)[N@@H+](Cc1cccs1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000057640973 195355017 /nfs/dbraw/zinc/35/50/17/195355017.db2.gz YYQJATKJJQZHJT-DEOSSOPVSA-N 1 2 492.649 5.243 40 0 JKABLO CC[C@@H](c1nnnn1C1CCCC1)[N@H+](Cc1ccc(C)cc1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000057641548 195355521 /nfs/dbraw/zinc/35/55/21/195355521.db2.gz FZJRHJABMWLOSF-MHZLTWQESA-N 1 2 484.648 5.708 40 0 JKABLO CC[C@@H](c1nnnn1C1CCCC1)[N@@H+](Cc1ccc(C)cc1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000057641548 195355523 /nfs/dbraw/zinc/35/55/23/195355523.db2.gz FZJRHJABMWLOSF-MHZLTWQESA-N 1 2 484.648 5.708 40 0 JKABLO CC[C@H](c1nnnn1C1CCCCC1)[N@H+](Cc1cccs1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000057641496 195355553 /nfs/dbraw/zinc/35/55/53/195355553.db2.gz YKQXRXGLKIDTDP-RUZDIDTESA-N 1 2 490.677 5.852 40 0 JKABLO CC[C@H](c1nnnn1C1CCCCC1)[N@@H+](Cc1cccs1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000057641496 195355556 /nfs/dbraw/zinc/35/55/56/195355556.db2.gz YKQXRXGLKIDTDP-RUZDIDTESA-N 1 2 490.677 5.852 40 0 JKABLO CC[C@@H](c1nnnn1C(C)(C)CC)[N@H+](Cc1ccc(F)cc1)Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000057641989 195355805 /nfs/dbraw/zinc/35/58/05/195355805.db2.gz XBNNDNIGELJKQY-DEOSSOPVSA-N 1 2 490.627 5.569 40 0 JKABLO CC[C@@H](c1nnnn1C(C)(C)CC)[N@@H+](Cc1ccc(F)cc1)Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000057641989 195355808 /nfs/dbraw/zinc/35/58/08/195355808.db2.gz XBNNDNIGELJKQY-DEOSSOPVSA-N 1 2 490.627 5.569 40 0 JKABLO CC[C@H](c1nnnn1C(C)(C)CC)[N@H+](Cc1ccc(F)cc1)Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000057641994 195355838 /nfs/dbraw/zinc/35/58/38/195355838.db2.gz XBNNDNIGELJKQY-XMMPIXPASA-N 1 2 490.627 5.569 40 0 JKABLO CC[C@H](c1nnnn1C(C)(C)CC)[N@@H+](Cc1ccc(F)cc1)Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000057641994 195355842 /nfs/dbraw/zinc/35/58/42/195355842.db2.gz XBNNDNIGELJKQY-XMMPIXPASA-N 1 2 490.627 5.569 40 0 JKABLO CC[C@H](c1nnnn1C1CCCC1)[N@H+](Cc1ccc(F)cc1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000057641695 195356042 /nfs/dbraw/zinc/35/60/42/195356042.db2.gz BBFOWOUAWORALJ-AREMUKBSSA-N 1 2 488.611 5.539 40 0 JKABLO CC[C@H](c1nnnn1C1CCCC1)[N@@H+](Cc1ccc(F)cc1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000057641695 195356044 /nfs/dbraw/zinc/35/60/44/195356044.db2.gz BBFOWOUAWORALJ-AREMUKBSSA-N 1 2 488.611 5.539 40 0 JKABLO CC[C@H](c1nnnn1C(C)(C)CC)[N@H+](Cc1ccc(F)cc1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000057641661 195356066 /nfs/dbraw/zinc/35/60/66/195356066.db2.gz GPGGOJMBPFYHDA-RUZDIDTESA-N 1 2 490.627 5.569 40 0 JKABLO CC[C@H](c1nnnn1C(C)(C)CC)[N@@H+](Cc1ccc(F)cc1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000057641661 195356068 /nfs/dbraw/zinc/35/60/68/195356068.db2.gz GPGGOJMBPFYHDA-RUZDIDTESA-N 1 2 490.627 5.569 40 0 JKABLO CC[C@@H](c1nnnn1C(C)(C)CC)[N@H+](Cc1ccc(C)cc1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000057641832 195356072 /nfs/dbraw/zinc/35/60/72/195356072.db2.gz WFJQYAYZLCZUPA-SANMLTNESA-N 1 2 486.664 5.738 40 0 JKABLO CC[C@@H](c1nnnn1C(C)(C)CC)[N@@H+](Cc1ccc(C)cc1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000057641832 195356074 /nfs/dbraw/zinc/35/60/74/195356074.db2.gz WFJQYAYZLCZUPA-SANMLTNESA-N 1 2 486.664 5.738 40 0 JKABLO CC[C@@H](c1nnnn1C1CCCCC1)[N@H+](Cc1ccccc1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000057641715 195356107 /nfs/dbraw/zinc/35/61/07/195356107.db2.gz CGIVCAUWNWZGMU-MHZLTWQESA-N 1 2 484.648 5.790 40 0 JKABLO CC[C@@H](c1nnnn1C1CCCCC1)[N@@H+](Cc1ccccc1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000057641715 195356109 /nfs/dbraw/zinc/35/61/09/195356109.db2.gz CGIVCAUWNWZGMU-MHZLTWQESA-N 1 2 484.648 5.790 40 0 JKABLO CC[C@H](c1nnnn1C1CCCC1)[N@H+](Cc1ccc(F)cc1)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000057642189 195356419 /nfs/dbraw/zinc/35/64/19/195356419.db2.gz IUGBVRNSVYJUAP-RUZDIDTESA-N 1 2 488.611 5.539 40 0 JKABLO CC[C@H](c1nnnn1C1CCCC1)[N@@H+](Cc1ccc(F)cc1)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000057642189 195356421 /nfs/dbraw/zinc/35/64/21/195356421.db2.gz IUGBVRNSVYJUAP-RUZDIDTESA-N 1 2 488.611 5.539 40 0 JKABLO CC[C@@H](c1nnnn1C(C)(C)CC)[N@H+](Cc1ccccc1)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000057642146 195356469 /nfs/dbraw/zinc/35/64/69/195356469.db2.gz BGIRJBYQOKILQQ-DEOSSOPVSA-N 1 2 472.637 5.430 40 0 JKABLO CC[C@@H](c1nnnn1C(C)(C)CC)[N@@H+](Cc1ccccc1)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000057642146 195356472 /nfs/dbraw/zinc/35/64/72/195356472.db2.gz BGIRJBYQOKILQQ-DEOSSOPVSA-N 1 2 472.637 5.430 40 0 JKABLO CCCc1ccc2[nH]c(=O)c(CNc3ccc(CCc4[nH+]c5ccccc5n4C)cc3)cc2c1 ZINC000057709810 195357786 /nfs/dbraw/zinc/35/77/86/195357786.db2.gz RPNFYJPSPGBUSV-UHFFFAOYSA-N 1 2 450.586 5.765 40 0 JKABLO CCC(C)(C)n1nnnc1[C@@H](C(C)C)[N@H+](Cc1ccc(C)cc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000043755306 521373074 /nfs/dbraw/zinc/37/30/74/521373074.db2.gz BGJFJTYRWOJACH-AREMUKBSSA-N 1 2 486.664 5.676 40 0 JKABLO CCC(C)(C)n1nnnc1[C@@H](C(C)C)[N@@H+](Cc1ccc(C)cc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000043755306 521373083 /nfs/dbraw/zinc/37/30/83/521373083.db2.gz BGJFJTYRWOJACH-AREMUKBSSA-N 1 2 486.664 5.676 40 0 JKABLO COc1ccc([C@H]2[C@@H]3CCCC[C@]3(O)CC[N@@H+]2CC(=O)Nc2ccc(Cl)cc2Cl)cc1 ZINC000012420572 525434941 /nfs/dbraw/zinc/43/49/41/525434941.db2.gz VVNRXHLRZKJTDX-IGKWTDBASA-N 1 2 463.405 5.309 40 0 JKABLO COc1ccc([C@H]2[C@@H]3CCCC[C@]3(O)CC[N@H+]2CC(=O)Nc2ccc(Cl)cc2Cl)cc1 ZINC000012420572 525434943 /nfs/dbraw/zinc/43/49/43/525434943.db2.gz VVNRXHLRZKJTDX-IGKWTDBASA-N 1 2 463.405 5.309 40 0 JKABLO COc1ccc2[nH]c(SCc3[nH+]cc(COC(=O)c4ccccc4C)c(OC)c3C)nc2c1 ZINC000044136646 525680374 /nfs/dbraw/zinc/68/03/74/525680374.db2.gz LQJIZEQSBXNIDM-UHFFFAOYSA-N 1 2 463.559 5.241 40 0 in-vitro JKABLO c1coc(Cn2c3c(c(-c4ccccc4)c2-c2ccccc2)[C@H]([NH2+]Cc2ccccc2)NC=N3)c1 ZINC000020522707 526567666 /nfs/dbraw/zinc/56/76/66/526567666.db2.gz DIVIUJVKRMTKIT-GDLZYMKVSA-N 1 2 458.565 6.515 40 0 JKABLO c1coc(Cn2c3c(c(-c4ccccc4)c2-c2ccccc2)[C@H](NCc2ccccc2)NC=[NH+]3)c1 ZINC000020522707 526567669 /nfs/dbraw/zinc/56/76/69/526567669.db2.gz DIVIUJVKRMTKIT-GDLZYMKVSA-N 1 2 458.565 6.515 40 0 JKABLO Clc1ccc([C@@]2(Cn3cc[nH+]c3)OC[C@H](COc3ccc(-c4ccccc4)cc3)O2)c(Cl)c1 ZINC000000607832 553711356 /nfs/dbraw/zinc/71/13/56/553711356.db2.gz GNZHVEIGGFMLSP-OZXSUGGESA-N 1 2 481.379 6.204 40 0 in-man JKABLO CCC[N@H+](Cc1ccccc1)[C@@H](c1nnnn1C1CCCC1)c1cc2cc(OCC)ccc2[nH]c1=O ZINC000000911788 553841605 /nfs/dbraw/zinc/84/16/05/553841605.db2.gz JACRETCPEUZBCS-AREMUKBSSA-N 1 2 486.620 5.030 40 0 JKABLO CCC[N@@H+](Cc1ccccc1)[C@@H](c1nnnn1C1CCCC1)c1cc2cc(OCC)ccc2[nH]c1=O ZINC000000911788 553841608 /nfs/dbraw/zinc/84/16/08/553841608.db2.gz JACRETCPEUZBCS-AREMUKBSSA-N 1 2 486.620 5.030 40 0 JKABLO CC(C)(C)c1ccc(C(=O)N(CCC[NH+]2CCOCC2)c2nc(-c3ccc(F)cc3)cs2)cc1 ZINC000000932868 553871236 /nfs/dbraw/zinc/87/12/36/553871236.db2.gz NQEAETILHQJQPU-UHFFFAOYSA-N 1 2 481.637 5.616 40 0 JKABLO COc1ccc(C(=O)Nc2sc(C)c(C)c2[C@H](c2ccc(SC)cc2)[NH+]2CCOCC2)cc1 ZINC000001236162 553937044 /nfs/dbraw/zinc/93/70/44/553937044.db2.gz NFQXBCXHSTZPGF-DEOSSOPVSA-N 1 2 482.671 5.769 40 0 JKABLO Cc1ccc(-n2ncc3c2nc[nH+]c3SCC(=O)N(Cc2ccccc2)c2ccccc2)cc1 ZINC000001346387 553955323 /nfs/dbraw/zinc/95/53/23/553955323.db2.gz JDOXBVNOAWPFEY-UHFFFAOYSA-N 1 2 465.582 5.449 40 0 JKABLO Cc1cc2[nH]c([C@H]3CCCN(C(=O)Nc4ccc(Cl)c(C(F)(F)F)c4)C3)[nH+]c2cc1C ZINC000001350292 553955880 /nfs/dbraw/zinc/95/58/80/553955880.db2.gz WZGVJJBNVGAUSC-AWEZNQCLSA-N 1 2 450.892 6.263 40 0 JKABLO CC[C@H](c1nnnn1C(C)(C)CC)[N@H+](Cc1ccccc1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000001374118 553962630 /nfs/dbraw/zinc/96/26/30/553962630.db2.gz CYDCYRRCIPQJKI-XMMPIXPASA-N 1 2 458.610 5.122 40 0 JKABLO CC[C@H](c1nnnn1C(C)(C)CC)[N@@H+](Cc1ccccc1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000001374118 553962634 /nfs/dbraw/zinc/96/26/34/553962634.db2.gz CYDCYRRCIPQJKI-XMMPIXPASA-N 1 2 458.610 5.122 40 0 JKABLO CC[C@H](c1nnnn1Cc1ccccc1)[N@H+](Cc1cccs1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000001374190 553962676 /nfs/dbraw/zinc/96/26/76/553962676.db2.gz RSNPSPYZKCBMBY-RUZDIDTESA-N 1 2 484.629 5.086 40 0 JKABLO CC[C@H](c1nnnn1Cc1ccccc1)[N@@H+](Cc1cccs1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000001374190 553962678 /nfs/dbraw/zinc/96/26/78/553962678.db2.gz RSNPSPYZKCBMBY-RUZDIDTESA-N 1 2 484.629 5.086 40 0 JKABLO CC[C@@H](c1nnnn1C(C)(C)CC)[N@H+](Cc1ccccc1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000001374117 553962682 /nfs/dbraw/zinc/96/26/82/553962682.db2.gz CYDCYRRCIPQJKI-DEOSSOPVSA-N 1 2 458.610 5.122 40 0 JKABLO CC[C@@H](c1nnnn1C(C)(C)CC)[N@@H+](Cc1ccccc1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000001374117 553962683 /nfs/dbraw/zinc/96/26/83/553962683.db2.gz CYDCYRRCIPQJKI-DEOSSOPVSA-N 1 2 458.610 5.122 40 0 JKABLO CC[C@@H](c1nnnn1Cc1ccccc1)[N@H+](Cc1ccccc1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000001374169 553962692 /nfs/dbraw/zinc/96/26/92/553962692.db2.gz RHUMXIPHINRCLJ-MHZLTWQESA-N 1 2 478.600 5.025 40 0 JKABLO CC[C@@H](c1nnnn1Cc1ccccc1)[N@@H+](Cc1ccccc1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000001374169 553962694 /nfs/dbraw/zinc/96/26/94/553962694.db2.gz RHUMXIPHINRCLJ-MHZLTWQESA-N 1 2 478.600 5.025 40 0 JKABLO CC[C@H](c1nnnn1C(C)(C)CC)[N@H+](Cc1ccc(OC)cc1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000001374123 553962698 /nfs/dbraw/zinc/96/26/98/553962698.db2.gz XUVZDHQZSBNLCJ-RUZDIDTESA-N 1 2 488.636 5.130 40 0 JKABLO CC[C@H](c1nnnn1C(C)(C)CC)[N@@H+](Cc1ccc(OC)cc1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000001374123 553962700 /nfs/dbraw/zinc/96/27/00/553962700.db2.gz XUVZDHQZSBNLCJ-RUZDIDTESA-N 1 2 488.636 5.130 40 0 JKABLO CC[C@@H](c1nnnn1Cc1ccc(F)cc1)[N@H+](Cc1ccccc1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000001374269 553962710 /nfs/dbraw/zinc/96/27/10/553962710.db2.gz ORIHWOSIXKVEHE-MHZLTWQESA-N 1 2 496.590 5.164 40 0 JKABLO CC[C@@H](c1nnnn1Cc1ccc(F)cc1)[N@@H+](Cc1ccccc1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000001374269 553962712 /nfs/dbraw/zinc/96/27/12/553962712.db2.gz ORIHWOSIXKVEHE-MHZLTWQESA-N 1 2 496.590 5.164 40 0 JKABLO CC[C@H](c1nnnn1C(C)(C)C)[N@H+](Cc1ccc(C)cc1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000001374255 553962731 /nfs/dbraw/zinc/96/27/31/553962731.db2.gz SNMAFAQGVCYCEK-XMMPIXPASA-N 1 2 458.610 5.040 40 0 JKABLO CC[C@H](c1nnnn1C(C)(C)C)[N@@H+](Cc1ccc(C)cc1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000001374255 553962734 /nfs/dbraw/zinc/96/27/34/553962734.db2.gz SNMAFAQGVCYCEK-XMMPIXPASA-N 1 2 458.610 5.040 40 0 JKABLO CC[C@@H](c1nnnn1C1CCCC1)[N@H+](Cc1cccs1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000001374160 553962818 /nfs/dbraw/zinc/96/28/18/553962818.db2.gz DOGDXDBHHNXWKQ-QHCPKHFHSA-N 1 2 462.623 5.153 40 0 JKABLO CC[C@@H](c1nnnn1C1CCCC1)[N@@H+](Cc1cccs1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000001374160 553962820 /nfs/dbraw/zinc/96/28/20/553962820.db2.gz DOGDXDBHHNXWKQ-QHCPKHFHSA-N 1 2 462.623 5.153 40 0 JKABLO CC[C@H](c1nnnn1C(C)(C)CC)[N@H+](Cc1cccs1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000001374132 553962826 /nfs/dbraw/zinc/96/28/26/553962826.db2.gz SEJITSHPIGPSPB-JOCHJYFZSA-N 1 2 464.639 5.183 40 0 JKABLO CC[C@H](c1nnnn1C(C)(C)CC)[N@@H+](Cc1cccs1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000001374132 553962828 /nfs/dbraw/zinc/96/28/28/553962828.db2.gz SEJITSHPIGPSPB-JOCHJYFZSA-N 1 2 464.639 5.183 40 0 JKABLO CC[C@H](c1nnnn1C(C)(C)CC)[N@H+](Cc1cccs1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000001375046 553963046 /nfs/dbraw/zinc/96/30/46/553963046.db2.gz ZOTISCRAACNQRG-HSZRJFAPSA-N 1 2 478.666 5.492 40 0 JKABLO CC[C@H](c1nnnn1C(C)(C)CC)[N@@H+](Cc1cccs1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000001375046 553963047 /nfs/dbraw/zinc/96/30/47/553963047.db2.gz ZOTISCRAACNQRG-HSZRJFAPSA-N 1 2 478.666 5.492 40 0 JKABLO CC[C@H](c1nnnn1C1CCCC1)[N@H+](Cc1cccs1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000001375059 553963062 /nfs/dbraw/zinc/96/30/62/553963062.db2.gz CLGDHAZNVGTDTH-XMMPIXPASA-N 1 2 476.650 5.462 40 0 JKABLO CC[C@H](c1nnnn1C1CCCC1)[N@@H+](Cc1cccs1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000001375059 553963063 /nfs/dbraw/zinc/96/30/63/553963063.db2.gz CLGDHAZNVGTDTH-XMMPIXPASA-N 1 2 476.650 5.462 40 0 JKABLO CC[C@@H](c1nnnn1C(C)(C)CC)[N@H+](Cc1ccc(C)cc1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000001374481 553963091 /nfs/dbraw/zinc/96/30/91/553963091.db2.gz IVVIDKZFZTYQBV-VWLOTQADSA-N 1 2 488.636 5.130 40 0 JKABLO CC[C@@H](c1nnnn1C(C)(C)CC)[N@@H+](Cc1ccc(C)cc1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000001374481 553963093 /nfs/dbraw/zinc/96/30/93/553963093.db2.gz IVVIDKZFZTYQBV-VWLOTQADSA-N 1 2 488.636 5.130 40 0 JKABLO Fc1ccc2c(c1)C1=C([C@@H](c3ccc(Cl)cc3Cl)O2)[C@H](c2ccccc2)N2NC=NC2=[NH+]1 ZINC000003073010 554425360 /nfs/dbraw/zinc/42/53/60/554425360.db2.gz RJRSVCMVAQMCKK-XZOQPEGZSA-N 1 2 465.315 5.937 40 0 JKABLO Fc1ccc2c(c1)C1=C([C@@H](c3ccccc3)N3NC=NC3=[NH+]1)[C@@H](c1ccc(Cl)cc1Cl)O2 ZINC000003073011 554425479 /nfs/dbraw/zinc/42/54/79/554425479.db2.gz RJRSVCMVAQMCKK-DHIUTWEWSA-N 1 2 465.315 5.937 40 0 JKABLO COc1ccc2c(c1)C[N@H+]([C@@H](C)[C@H]1CC[C@H]3[C@@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]13C)CO2 ZINC000004742280 554479501 /nfs/dbraw/zinc/47/95/01/554479501.db2.gz JVEDHWWWBFCUKI-SPEGKSIMSA-N 1 2 467.694 6.255 40 0 in-vitro JKABLO COc1ccc2c(c1)C[N@@H+]([C@@H](C)[C@H]1CC[C@H]3[C@@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]13C)CO2 ZINC000004742280 554479503 /nfs/dbraw/zinc/47/95/03/554479503.db2.gz JVEDHWWWBFCUKI-SPEGKSIMSA-N 1 2 467.694 6.255 40 0 in-vitro JKABLO COc1ccc(CNc2[nH+]c3ccccc3n2Cc2ccc(Cl)cc2)c2c(OC)cccc12 ZINC000006176994 554514341 /nfs/dbraw/zinc/51/43/41/554514341.db2.gz ISYJNBWHDJFPOR-UHFFFAOYSA-N 1 2 457.961 6.521 40 0 JKABLO Cc1cc(C)c2[nH]c(=O)c([C@@H](c3nnnn3C3CCCC3)[NH+]3CCC(Cc4ccccc4)CC3)cc2c1 ZINC000006300647 554529440 /nfs/dbraw/zinc/52/94/40/554529440.db2.gz IVRLOVUPJNKJIO-NDEPHWFRSA-N 1 2 496.659 5.291 40 0 JKABLO Cc1cc(C)c2[nH]c(=O)c([C@H](c3nnnn3C3CCCC3)[NH+]3CCC(Cc4ccccc4)CC3)cc2c1 ZINC000006300954 554529941 /nfs/dbraw/zinc/52/99/41/554529941.db2.gz IVRLOVUPJNKJIO-MUUNZHRXSA-N 1 2 496.659 5.291 40 0 JKABLO Cc1cc(C)c2cc([C@H](c3nnnn3C3CCCC3)[NH+]3CCC(Cc4ccccc4)CC3)c(=O)[nH]c2c1 ZINC000006301791 554530146 /nfs/dbraw/zinc/53/01/46/554530146.db2.gz IDFUPTCPRKQVNY-MUUNZHRXSA-N 1 2 496.659 5.291 40 0 JKABLO Cc1cccc2cc([C@H](c3nnnn3C3CCCCC3)[NH+]3CCC(Cc4ccccc4)CC3)c(=O)[nH]c12 ZINC000006443975 554538000 /nfs/dbraw/zinc/53/80/00/554538000.db2.gz QIFLLUZSTQKVRD-MUUNZHRXSA-N 1 2 496.659 5.372 40 0 JKABLO Cc1cccc2cc([C@@H](c3nnnn3C3CCCCC3)[NH+]3CCC(Cc4ccccc4)CC3)c(=O)[nH]c12 ZINC000006443669 554538025 /nfs/dbraw/zinc/53/80/25/554538025.db2.gz QIFLLUZSTQKVRD-NDEPHWFRSA-N 1 2 496.659 5.372 40 0 JKABLO CCCCOc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)Nc3[nH+]c4ccccc4n32)cc1 ZINC000008816182 554697822 /nfs/dbraw/zinc/69/78/22/554697822.db2.gz NPBJCJLAZXKZOF-AREMUKBSSA-N 1 2 452.558 6.143 40 0 JKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(OC)c(OC)c4)cc3n2)c(C)c1 ZINC000008832214 554725653 /nfs/dbraw/zinc/72/56/53/554725653.db2.gz ZUVBHSNCBQUYFA-UHFFFAOYSA-N 1 2 473.577 5.153 40 0 JKABLO CC[C@@H](C)c1ccc(OCC(=O)Nc2cc3nn(-c4ccc([NH+](CC)CC)cc4C)nc3cc2C)cc1 ZINC000008900464 554792865 /nfs/dbraw/zinc/79/28/65/554792865.db2.gz MAMCZKHYTVFCFP-HXUWFJFHSA-N 1 2 499.659 6.415 40 0 JKABLO CC(=O)C(C(C)=O)=c1ccc2c(c1)N1C(c3ccccc3)=C[C@@H](c3ccccc3)[C@H]3CCCC[C@@]31[NH+]=2 ZINC000008926037 554822368 /nfs/dbraw/zinc/82/23/68/554822368.db2.gz POEVUWKCELIZDE-XKVZAPNPSA-N 1 2 474.604 5.180 40 0 JKABLO CC[C@H](c1nnnn1C(C)(C)C)[N@H+](Cc1ccccc1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013494416 555404159 /nfs/dbraw/zinc/40/41/59/555404159.db2.gz OVTFYJDXFFRILM-HSZRJFAPSA-N 1 2 458.610 5.040 40 0 JKABLO CC[C@H](c1nnnn1C(C)(C)C)[N@@H+](Cc1ccccc1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013494416 555404162 /nfs/dbraw/zinc/40/41/62/555404162.db2.gz OVTFYJDXFFRILM-HSZRJFAPSA-N 1 2 458.610 5.040 40 0 JKABLO CC[C@H](c1nnnn1C(C)(C)C)[N@H+](Cc1ccc(C)cc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013494422 555404619 /nfs/dbraw/zinc/40/46/19/555404619.db2.gz NRNXSLFMCFSRMB-HSZRJFAPSA-N 1 2 458.610 5.040 40 0 JKABLO CC[C@H](c1nnnn1C(C)(C)C)[N@@H+](Cc1ccc(C)cc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013494422 555404620 /nfs/dbraw/zinc/40/46/20/555404620.db2.gz NRNXSLFMCFSRMB-HSZRJFAPSA-N 1 2 458.610 5.040 40 0 JKABLO CC[C@H](c1nnnn1Cc1ccccc1)[N@H+](Cc1ccc(C)cc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013494790 555406343 /nfs/dbraw/zinc/40/63/43/555406343.db2.gz BGPBDYROPRFVIN-MUUNZHRXSA-N 1 2 492.627 5.333 40 0 JKABLO CC[C@H](c1nnnn1Cc1ccccc1)[N@@H+](Cc1ccc(C)cc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013494790 555406347 /nfs/dbraw/zinc/40/63/47/555406347.db2.gz BGPBDYROPRFVIN-MUUNZHRXSA-N 1 2 492.627 5.333 40 0 JKABLO CC[C@H](c1nnnn1C1CCCCC1)[N@H+](Cc1ccc(C)cc1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013494821 555406403 /nfs/dbraw/zinc/40/64/03/555406403.db2.gz OKZHVIUPUMBWGN-HHHXNRCGSA-N 1 2 498.675 6.099 40 0 JKABLO CC[C@H](c1nnnn1C1CCCCC1)[N@@H+](Cc1ccc(C)cc1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013494821 555406406 /nfs/dbraw/zinc/40/64/06/555406406.db2.gz OKZHVIUPUMBWGN-HHHXNRCGSA-N 1 2 498.675 6.099 40 0 JKABLO CC[C@@H](c1nnnn1C1CCCC1)[N@H+](Cc1ccc(C)cc1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013494819 555406455 /nfs/dbraw/zinc/40/64/55/555406455.db2.gz SLXYNJGXDDVQIE-SANMLTNESA-N 1 2 484.648 5.708 40 0 JKABLO CC[C@@H](c1nnnn1C1CCCC1)[N@@H+](Cc1ccc(C)cc1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013494819 555406457 /nfs/dbraw/zinc/40/64/57/555406457.db2.gz SLXYNJGXDDVQIE-SANMLTNESA-N 1 2 484.648 5.708 40 0 JKABLO CC[C@@H](c1nnnn1C1CCCCC1)[N@H+](Cc1ccc(C)cc1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013494822 555406463 /nfs/dbraw/zinc/40/64/63/555406463.db2.gz OKZHVIUPUMBWGN-MHZLTWQESA-N 1 2 498.675 6.099 40 0 JKABLO CC[C@@H](c1nnnn1C1CCCCC1)[N@@H+](Cc1ccc(C)cc1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013494822 555406465 /nfs/dbraw/zinc/40/64/65/555406465.db2.gz OKZHVIUPUMBWGN-MHZLTWQESA-N 1 2 498.675 6.099 40 0 JKABLO CC[C@@H](c1nnnn1Cc1ccco1)[N@H+](Cc1ccc(C)cc1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013494832 555406753 /nfs/dbraw/zinc/40/67/53/555406753.db2.gz SJWIRRSGSRMPJK-SANMLTNESA-N 1 2 496.615 5.235 40 0 JKABLO CC[C@@H](c1nnnn1Cc1ccco1)[N@@H+](Cc1ccc(C)cc1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013494832 555406757 /nfs/dbraw/zinc/40/67/57/555406757.db2.gz SJWIRRSGSRMPJK-SANMLTNESA-N 1 2 496.615 5.235 40 0 JKABLO CC[C@@H](c1nnnn1C1CCCCC1)[N@H+](Cc1ccc(F)cc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013494990 555406888 /nfs/dbraw/zinc/40/68/88/555406888.db2.gz RFXOKQYPLZQEBU-SANMLTNESA-N 1 2 488.611 5.621 40 0 JKABLO CC[C@@H](c1nnnn1C1CCCCC1)[N@@H+](Cc1ccc(F)cc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013494990 555406893 /nfs/dbraw/zinc/40/68/93/555406893.db2.gz RFXOKQYPLZQEBU-SANMLTNESA-N 1 2 488.611 5.621 40 0 JKABLO CC[C@@H](c1nnnn1C1CCCCC1)[N@H+](Cc1cccs1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013495735 555408753 /nfs/dbraw/zinc/40/87/53/555408753.db2.gz CCJPICJWEIJNDQ-QHCPKHFHSA-N 1 2 476.650 5.543 40 0 JKABLO CC[C@@H](c1nnnn1C1CCCCC1)[N@@H+](Cc1cccs1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013495735 555408755 /nfs/dbraw/zinc/40/87/55/555408755.db2.gz CCJPICJWEIJNDQ-QHCPKHFHSA-N 1 2 476.650 5.543 40 0 JKABLO CC[C@H](c1nnnn1Cc1ccccc1)[N@H+](Cc1cccs1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013495737 555408820 /nfs/dbraw/zinc/40/88/20/555408820.db2.gz JYGSSWPRYSQINQ-XMMPIXPASA-N 1 2 484.629 5.086 40 0 JKABLO CC[C@H](c1nnnn1Cc1ccccc1)[N@@H+](Cc1cccs1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013495737 555408823 /nfs/dbraw/zinc/40/88/23/555408823.db2.gz JYGSSWPRYSQINQ-XMMPIXPASA-N 1 2 484.629 5.086 40 0 JKABLO CC[C@H](c1nnnn1C1CCCCC1)[N@H+](Cc1cccs1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013495774 555409147 /nfs/dbraw/zinc/40/91/47/555409147.db2.gz HPFJUMAPFOCBKK-XMMPIXPASA-N 1 2 490.677 5.852 40 0 JKABLO CC[C@H](c1nnnn1C1CCCCC1)[N@@H+](Cc1cccs1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013495774 555409150 /nfs/dbraw/zinc/40/91/50/555409150.db2.gz HPFJUMAPFOCBKK-XMMPIXPASA-N 1 2 490.677 5.852 40 0 JKABLO CC[C@@H](c1nnnn1C(C)(C)CC)[N@H+](Cc1cccs1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013495753 555409230 /nfs/dbraw/zinc/40/92/30/555409230.db2.gz UMZOATOEENTNQI-QFIPXVFZSA-N 1 2 464.639 5.183 40 0 JKABLO CC[C@@H](c1nnnn1C(C)(C)CC)[N@@H+](Cc1cccs1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013495753 555409231 /nfs/dbraw/zinc/40/92/31/555409231.db2.gz UMZOATOEENTNQI-QFIPXVFZSA-N 1 2 464.639 5.183 40 0 JKABLO CCc1ccc2[nH]c(=O)c(C[N@H+](Cc3cccs3)[C@H](c3nnnn3C(C)(C)C)C(C)C)cc2c1 ZINC000013498427 555420324 /nfs/dbraw/zinc/42/03/24/555420324.db2.gz QESOHDFXUCMXEK-QHCPKHFHSA-N 1 2 478.666 5.293 40 0 JKABLO CCc1ccc2[nH]c(=O)c(C[N@@H+](Cc3cccs3)[C@H](c3nnnn3C(C)(C)C)C(C)C)cc2c1 ZINC000013498427 555420328 /nfs/dbraw/zinc/42/03/28/555420328.db2.gz QESOHDFXUCMXEK-QHCPKHFHSA-N 1 2 478.666 5.293 40 0 JKABLO CCC(C)(C)n1nnnc1[C@@H](C(C)C)[N@H+](Cc1cccs1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000013498500 555421102 /nfs/dbraw/zinc/42/11/02/555421102.db2.gz WUQNCRZBGXYRPN-HSZRJFAPSA-N 1 2 478.666 5.429 40 0 JKABLO CCC(C)(C)n1nnnc1[C@@H](C(C)C)[N@@H+](Cc1cccs1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000013498500 555421107 /nfs/dbraw/zinc/42/11/07/555421107.db2.gz WUQNCRZBGXYRPN-HSZRJFAPSA-N 1 2 478.666 5.429 40 0 JKABLO Cc1ccc2cc(C[N@@H+](Cc3ccc(F)cc3)[C@H](c3nnnn3C3CCCC3)C(C)C)c(=O)[nH]c2c1 ZINC000013498507 555421137 /nfs/dbraw/zinc/42/11/37/555421137.db2.gz DTTQYPDXNLVUGI-SANMLTNESA-N 1 2 488.611 5.477 40 0 JKABLO Cc1ccc2cc(C[N@H+](Cc3ccc(F)cc3)[C@H](c3nnnn3C3CCCC3)C(C)C)c(=O)[nH]c2c1 ZINC000013498507 555421142 /nfs/dbraw/zinc/42/11/42/555421142.db2.gz DTTQYPDXNLVUGI-SANMLTNESA-N 1 2 488.611 5.477 40 0 JKABLO Cc1ccc2cc(C[N@@H+](Cc3ccccc3)[C@@H](c3nnnn3Cc3ccccc3)C(C)C)c(=O)[nH]c2c1 ZINC000013498542 555421464 /nfs/dbraw/zinc/42/14/64/555421464.db2.gz KWRKJZOZWOCHBD-MUUNZHRXSA-N 1 2 492.627 5.271 40 0 JKABLO Cc1ccc2cc(C[N@H+](Cc3ccccc3)[C@@H](c3nnnn3Cc3ccccc3)C(C)C)c(=O)[nH]c2c1 ZINC000013498542 555421466 /nfs/dbraw/zinc/42/14/66/555421466.db2.gz KWRKJZOZWOCHBD-MUUNZHRXSA-N 1 2 492.627 5.271 40 0 JKABLO Cc1ccc2cc(C[N@@H+](Cc3cccs3)[C@@H](c3nnnn3C3CCCC3)C(C)C)c(=O)[nH]c2c1 ZINC000013498510 555421586 /nfs/dbraw/zinc/42/15/86/555421586.db2.gz TXZHBWUEHXXEEH-XMMPIXPASA-N 1 2 476.650 5.399 40 0 JKABLO Cc1ccc2cc(C[N@H+](Cc3cccs3)[C@@H](c3nnnn3C3CCCC3)C(C)C)c(=O)[nH]c2c1 ZINC000013498510 555421589 /nfs/dbraw/zinc/42/15/89/555421589.db2.gz TXZHBWUEHXXEEH-XMMPIXPASA-N 1 2 476.650 5.399 40 0 JKABLO Cc1ccc2cc(C[N@@H+](Cc3ccccc3)[C@@H](c3nnnn3C3CCCCC3)C(C)C)c(=O)[nH]c2c1 ZINC000013498518 555421623 /nfs/dbraw/zinc/42/16/23/555421623.db2.gz SQVDXUBQENKQES-HHHXNRCGSA-N 1 2 484.648 5.728 40 0 JKABLO Cc1ccc2cc(C[N@H+](Cc3ccccc3)[C@@H](c3nnnn3C3CCCCC3)C(C)C)c(=O)[nH]c2c1 ZINC000013498518 555421625 /nfs/dbraw/zinc/42/16/25/555421625.db2.gz SQVDXUBQENKQES-HHHXNRCGSA-N 1 2 484.648 5.728 40 0 JKABLO Cc1ccc(C[N@H+](Cc2cc3ccc(C)cc3[nH]c2=O)[C@@H](c2nnnn2C2CCCC2)C(C)C)cc1 ZINC000013498563 555422086 /nfs/dbraw/zinc/42/20/86/555422086.db2.gz IIPAUXUWFXYWRS-HHHXNRCGSA-N 1 2 484.648 5.646 40 0 JKABLO Cc1ccc(C[N@@H+](Cc2cc3ccc(C)cc3[nH]c2=O)[C@@H](c2nnnn2C2CCCC2)C(C)C)cc1 ZINC000013498563 555422088 /nfs/dbraw/zinc/42/20/88/555422088.db2.gz IIPAUXUWFXYWRS-HHHXNRCGSA-N 1 2 484.648 5.646 40 0 JKABLO CCC(C)(C)n1nnnc1[C@@H](C(C)C)[N@H+](Cc1ccccc1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000013498613 555422589 /nfs/dbraw/zinc/42/25/89/555422589.db2.gz GQJWONIIMODRMN-RUZDIDTESA-N 1 2 488.636 5.068 40 0 JKABLO CCC(C)(C)n1nnnc1[C@@H](C(C)C)[N@@H+](Cc1ccccc1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000013498613 555422592 /nfs/dbraw/zinc/42/25/92/555422592.db2.gz GQJWONIIMODRMN-RUZDIDTESA-N 1 2 488.636 5.068 40 0 JKABLO COc1ccc2[nH]c(=O)c(C[N@H+](Cc3cccs3)[C@@H](c3nnnn3C3CCCC3)C(C)C)cc2c1 ZINC000013498634 555423058 /nfs/dbraw/zinc/42/30/58/555423058.db2.gz QSZHHPWCPZHTDW-XMMPIXPASA-N 1 2 492.649 5.099 40 0 JKABLO COc1ccc2[nH]c(=O)c(C[N@@H+](Cc3cccs3)[C@@H](c3nnnn3C3CCCC3)C(C)C)cc2c1 ZINC000013498634 555423061 /nfs/dbraw/zinc/42/30/61/555423061.db2.gz QSZHHPWCPZHTDW-XMMPIXPASA-N 1 2 492.649 5.099 40 0 JKABLO Cc1cc2cc(C[N@@H+](Cc3ccccc3)[C@H](c3nnnn3C3CCCC3)C(C)C)c(=O)[nH]c2cc1C ZINC000013498869 555425526 /nfs/dbraw/zinc/42/55/26/555425526.db2.gz JWGPGPRRYSJHMU-MHZLTWQESA-N 1 2 484.648 5.646 40 0 JKABLO Cc1cc2cc(C[N@H+](Cc3ccccc3)[C@H](c3nnnn3C3CCCC3)C(C)C)c(=O)[nH]c2cc1C ZINC000013498869 555425529 /nfs/dbraw/zinc/42/55/29/555425529.db2.gz JWGPGPRRYSJHMU-MHZLTWQESA-N 1 2 484.648 5.646 40 0 JKABLO CCC(C)(C)n1nnnc1[C@H](C(C)C)[N@H+](Cc1cccs1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000013498863 555425638 /nfs/dbraw/zinc/42/56/38/555425638.db2.gz ZOTKPPAGMBHHHX-DEOSSOPVSA-N 1 2 492.693 5.738 40 0 JKABLO CCC(C)(C)n1nnnc1[C@H](C(C)C)[N@@H+](Cc1cccs1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000013498863 555425639 /nfs/dbraw/zinc/42/56/39/555425639.db2.gz ZOTKPPAGMBHHHX-DEOSSOPVSA-N 1 2 492.693 5.738 40 0 JKABLO Cc1cc2cc(C[N@@H+](Cc3ccco3)[C@@H](c3nnnn3C3CCCCC3)C(C)C)c(=O)[nH]c2cc1C ZINC000013498890 555425933 /nfs/dbraw/zinc/42/59/33/555425933.db2.gz HWYUFOQEDPUBFO-AREMUKBSSA-N 1 2 488.636 5.629 40 0 JKABLO Cc1cc2cc(C[N@H+](Cc3ccco3)[C@@H](c3nnnn3C3CCCCC3)C(C)C)c(=O)[nH]c2cc1C ZINC000013498890 555425934 /nfs/dbraw/zinc/42/59/34/555425934.db2.gz HWYUFOQEDPUBFO-AREMUKBSSA-N 1 2 488.636 5.629 40 0 JKABLO Cc1cc(C)c2cc(C[N@@H+](Cc3ccccc3)[C@H](c3nnnn3C(C)(C)C)C(C)C)c(=O)[nH]c2c1 ZINC000013498993 555426766 /nfs/dbraw/zinc/42/67/66/555426766.db2.gz WVDUKCOIJKUUSS-VWLOTQADSA-N 1 2 472.637 5.286 40 0 JKABLO Cc1cc(C)c2cc(C[N@H+](Cc3ccccc3)[C@H](c3nnnn3C(C)(C)C)C(C)C)c(=O)[nH]c2c1 ZINC000013498993 555426771 /nfs/dbraw/zinc/42/67/71/555426771.db2.gz WVDUKCOIJKUUSS-VWLOTQADSA-N 1 2 472.637 5.286 40 0 JKABLO Cc1cc(C)c2cc(C[N@@H+](Cc3ccco3)[C@H](c3nnnn3C3CCCC3)C(C)C)c(=O)[nH]c2c1 ZINC000013499025 555427102 /nfs/dbraw/zinc/42/71/02/555427102.db2.gz VANKUEGBLASGQC-VWLOTQADSA-N 1 2 474.609 5.239 40 0 JKABLO Cc1cc(C)c2cc(C[N@H+](Cc3ccco3)[C@H](c3nnnn3C3CCCC3)C(C)C)c(=O)[nH]c2c1 ZINC000013499025 555427103 /nfs/dbraw/zinc/42/71/03/555427103.db2.gz VANKUEGBLASGQC-VWLOTQADSA-N 1 2 474.609 5.239 40 0 JKABLO CCC(C)(C)n1nnnc1[C@H](C(C)C)[N@H+](Cc1ccco1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000013499013 555427184 /nfs/dbraw/zinc/42/71/84/555427184.db2.gz UXWUBRZAGSMSGH-DEOSSOPVSA-N 1 2 476.625 5.269 40 0 JKABLO CCC(C)(C)n1nnnc1[C@H](C(C)C)[N@@H+](Cc1ccco1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000013499013 555427188 /nfs/dbraw/zinc/42/71/88/555427188.db2.gz UXWUBRZAGSMSGH-DEOSSOPVSA-N 1 2 476.625 5.269 40 0 JKABLO Cc1cc(C)c2cc(C[N@@H+](Cc3cccnc3)[C@@H](c3nnnn3C3CCCC3)C(C)C)c(=O)[nH]c2c1 ZINC000013499020 555427247 /nfs/dbraw/zinc/42/72/47/555427247.db2.gz VGUWLBCZZWAKHA-AREMUKBSSA-N 1 2 485.636 5.041 40 0 JKABLO Cc1cc(C)c2cc(C[N@H+](Cc3cccnc3)[C@@H](c3nnnn3C3CCCC3)C(C)C)c(=O)[nH]c2c1 ZINC000013499020 555427250 /nfs/dbraw/zinc/42/72/50/555427250.db2.gz VGUWLBCZZWAKHA-AREMUKBSSA-N 1 2 485.636 5.041 40 0 JKABLO Cc1ccc(C[N@H+](Cc2cc3c(C)cc(C)cc3[nH]c2=O)[C@H](c2nnnn2C2CCCC2)C(C)C)cc1 ZINC000013499071 555427529 /nfs/dbraw/zinc/42/75/29/555427529.db2.gz RPLGFWUBSNRALH-NDEPHWFRSA-N 1 2 498.675 5.954 40 0 JKABLO Cc1ccc(C[N@@H+](Cc2cc3c(C)cc(C)cc3[nH]c2=O)[C@H](c2nnnn2C2CCCC2)C(C)C)cc1 ZINC000013499071 555427533 /nfs/dbraw/zinc/42/75/33/555427533.db2.gz RPLGFWUBSNRALH-NDEPHWFRSA-N 1 2 498.675 5.954 40 0 JKABLO Cc1ccc(C[N@H+](Cc2cc3c(C)cc(C)cc3[nH]c2=O)[C@@H](c2nnnn2C(C)(C)C)C(C)C)cc1 ZINC000013499066 555427545 /nfs/dbraw/zinc/42/75/45/555427545.db2.gz IISFOIVAAPWBOI-AREMUKBSSA-N 1 2 486.664 5.594 40 0 JKABLO Cc1ccc(C[N@@H+](Cc2cc3c(C)cc(C)cc3[nH]c2=O)[C@@H](c2nnnn2C(C)(C)C)C(C)C)cc1 ZINC000013499066 555427551 /nfs/dbraw/zinc/42/75/51/555427551.db2.gz IISFOIVAAPWBOI-AREMUKBSSA-N 1 2 486.664 5.594 40 0 JKABLO Cc1cc(C)c2cc(C[N@@H+](C[C@@H]3CCCO3)[C@H](c3nnnn3C3CCCCC3)C(C)C)c(=O)[nH]c2c1 ZINC000013499039 555427627 /nfs/dbraw/zinc/42/76/27/555427627.db2.gz KAJRDQYTUXNHJB-OZXSUGGESA-N 1 2 492.668 5.015 40 0 JKABLO Cc1cc(C)c2cc(C[N@H+](C[C@@H]3CCCO3)[C@H](c3nnnn3C3CCCCC3)C(C)C)c(=O)[nH]c2c1 ZINC000013499039 555427630 /nfs/dbraw/zinc/42/76/30/555427630.db2.gz KAJRDQYTUXNHJB-OZXSUGGESA-N 1 2 492.668 5.015 40 0 JKABLO Cc1ccc2cc(C[N@@H+](Cc3ccco3)[C@H](c3nnnn3C3CCCCC3)C(C)C)c(=O)[nH]c2c1C ZINC000013499137 555428403 /nfs/dbraw/zinc/42/84/03/555428403.db2.gz DYYKNVJXJRDKOB-SANMLTNESA-N 1 2 488.636 5.629 40 0 JKABLO Cc1ccc2cc(C[N@H+](Cc3ccco3)[C@H](c3nnnn3C3CCCCC3)C(C)C)c(=O)[nH]c2c1C ZINC000013499137 555428404 /nfs/dbraw/zinc/42/84/04/555428404.db2.gz DYYKNVJXJRDKOB-SANMLTNESA-N 1 2 488.636 5.629 40 0 JKABLO Cc1ccc2cc(C[N@@H+](Cc3ccccc3)[C@@H](c3nnnn3Cc3ccco3)C(C)C)c(=O)[nH]c2c1C ZINC000013499154 555428962 /nfs/dbraw/zinc/42/89/62/555428962.db2.gz HNJPUNNCGSXARJ-HHHXNRCGSA-N 1 2 496.615 5.172 40 0 JKABLO Cc1ccc2cc(C[N@H+](Cc3ccccc3)[C@@H](c3nnnn3Cc3ccco3)C(C)C)c(=O)[nH]c2c1C ZINC000013499154 555428966 /nfs/dbraw/zinc/42/89/66/555428966.db2.gz HNJPUNNCGSXARJ-HHHXNRCGSA-N 1 2 496.615 5.172 40 0 JKABLO Cc1ccc(C)c2[nH]c(=O)c(C[N@@H+](Cc3cccs3)[C@@H](c3nnnn3C3CCCC3)C(C)C)cc12 ZINC000013499172 555428974 /nfs/dbraw/zinc/42/89/74/555428974.db2.gz TUBWJDJSIWWKJE-RUZDIDTESA-N 1 2 490.677 5.708 40 0 JKABLO Cc1ccc(C)c2[nH]c(=O)c(C[N@H+](Cc3cccs3)[C@@H](c3nnnn3C3CCCC3)C(C)C)cc12 ZINC000013499172 555428977 /nfs/dbraw/zinc/42/89/77/555428977.db2.gz TUBWJDJSIWWKJE-RUZDIDTESA-N 1 2 490.677 5.708 40 0 JKABLO CCC[C@H](c1nnnn1C(C)(C)C)[N@H+](Cc1ccc(OC)cc1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000013499267 555429872 /nfs/dbraw/zinc/42/98/72/555429872.db2.gz APTSITJKMBVWFX-RUZDIDTESA-N 1 2 488.636 5.130 40 0 JKABLO CCC[C@H](c1nnnn1C(C)(C)C)[N@@H+](Cc1ccc(OC)cc1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000013499267 555429878 /nfs/dbraw/zinc/42/98/78/555429878.db2.gz APTSITJKMBVWFX-RUZDIDTESA-N 1 2 488.636 5.130 40 0 JKABLO CCC[C@@H](c1nnnn1C(C)(C)C)[N@H+](Cc1ccccc1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000013499428 555431359 /nfs/dbraw/zinc/43/13/59/555431359.db2.gz WAXWTBVPOUZSNB-VWLOTQADSA-N 1 2 472.637 5.430 40 0 JKABLO CCC[C@@H](c1nnnn1C(C)(C)C)[N@@H+](Cc1ccccc1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000013499428 555431363 /nfs/dbraw/zinc/43/13/63/555431363.db2.gz WAXWTBVPOUZSNB-VWLOTQADSA-N 1 2 472.637 5.430 40 0 JKABLO CCC[C@@H](c1nnnn1C(C)(C)C)[N@H+](Cc1ccccc1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000013499546 555432622 /nfs/dbraw/zinc/43/26/22/555432622.db2.gz LDZYBYREBWYIAH-VWLOTQADSA-N 1 2 472.637 5.430 40 0 JKABLO CCC[C@@H](c1nnnn1C(C)(C)C)[N@@H+](Cc1ccccc1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000013499546 555432625 /nfs/dbraw/zinc/43/26/25/555432625.db2.gz LDZYBYREBWYIAH-VWLOTQADSA-N 1 2 472.637 5.430 40 0 JKABLO CCC[C@H](c1nnnn1C(C)(C)CC)[N@H+](Cc1cccs1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000013499557 555433055 /nfs/dbraw/zinc/43/30/55/555433055.db2.gz XXCNFTRKFNSBOA-XMMPIXPASA-N 1 2 492.693 5.882 40 0 JKABLO CCC[C@H](c1nnnn1C(C)(C)CC)[N@@H+](Cc1cccs1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000013499557 555433057 /nfs/dbraw/zinc/43/30/57/555433057.db2.gz XXCNFTRKFNSBOA-XMMPIXPASA-N 1 2 492.693 5.882 40 0 JKABLO CCC[C@@H](c1nnnn1C(C)(C)CC)[N@H+](Cc1cccs1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000013499558 555433061 /nfs/dbraw/zinc/43/30/61/555433061.db2.gz XXCNFTRKFNSBOA-DEOSSOPVSA-N 1 2 492.693 5.882 40 0 JKABLO CCC[C@@H](c1nnnn1C(C)(C)CC)[N@@H+](Cc1cccs1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000013499558 555433063 /nfs/dbraw/zinc/43/30/63/555433063.db2.gz XXCNFTRKFNSBOA-DEOSSOPVSA-N 1 2 492.693 5.882 40 0 JKABLO CCC[C@@H](c1nnnn1C(C)(C)C)[N@H+](Cc1ccc(C)cc1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000013499596 555433390 /nfs/dbraw/zinc/43/33/90/555433390.db2.gz LLWVLEBRPBAQBS-SANMLTNESA-N 1 2 486.664 5.738 40 0 JKABLO CCC[C@@H](c1nnnn1C(C)(C)C)[N@@H+](Cc1ccc(C)cc1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000013499596 555433393 /nfs/dbraw/zinc/43/33/93/555433393.db2.gz LLWVLEBRPBAQBS-SANMLTNESA-N 1 2 486.664 5.738 40 0 JKABLO CCC[C@H](c1nnnn1C(C)(C)C)[N@H+](Cc1ccc(C)cc1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000013499595 555433597 /nfs/dbraw/zinc/43/35/97/555433597.db2.gz LLWVLEBRPBAQBS-AREMUKBSSA-N 1 2 486.664 5.738 40 0 JKABLO CCC[C@H](c1nnnn1C(C)(C)C)[N@@H+](Cc1ccc(C)cc1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000013499595 555433599 /nfs/dbraw/zinc/43/35/99/555433599.db2.gz LLWVLEBRPBAQBS-AREMUKBSSA-N 1 2 486.664 5.738 40 0 JKABLO CCC[C@@H](c1nnnn1C(C)(C)CC)[N@H+](Cc1cccs1)Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000013499630 555433800 /nfs/dbraw/zinc/43/38/00/555433800.db2.gz MPKDLHLTWBXGOW-QHCPKHFHSA-N 1 2 492.693 5.882 40 0 JKABLO CCC[C@@H](c1nnnn1C(C)(C)CC)[N@@H+](Cc1cccs1)Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000013499630 555433801 /nfs/dbraw/zinc/43/38/01/555433801.db2.gz MPKDLHLTWBXGOW-QHCPKHFHSA-N 1 2 492.693 5.882 40 0 JKABLO CCC[C@H](c1nnnn1C1CCCCC1)[N@H+](Cc1ccccc1)Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000013499631 555433823 /nfs/dbraw/zinc/43/38/23/555433823.db2.gz AFFAUBLRSIOQKS-HHHXNRCGSA-N 1 2 498.675 6.180 40 0 JKABLO CCC[C@H](c1nnnn1C1CCCCC1)[N@@H+](Cc1ccccc1)Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000013499631 555433827 /nfs/dbraw/zinc/43/38/27/555433827.db2.gz AFFAUBLRSIOQKS-HHHXNRCGSA-N 1 2 498.675 6.180 40 0 JKABLO CCC[C@H](c1nnnn1Cc1ccco1)[N@H+](Cc1ccccc1)Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000013499655 555434018 /nfs/dbraw/zinc/43/40/18/555434018.db2.gz KUYDXFWCLKKPPI-AREMUKBSSA-N 1 2 496.615 5.316 40 0 JKABLO CCC[C@H](c1nnnn1Cc1ccco1)[N@@H+](Cc1ccccc1)Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000013499655 555434021 /nfs/dbraw/zinc/43/40/21/555434021.db2.gz KUYDXFWCLKKPPI-AREMUKBSSA-N 1 2 496.615 5.316 40 0 JKABLO Cc1ccc(C[N@H+](Cc2cc3cccc(C)c3[nH]c2=O)[C@@H](c2nnnn2C(C)(C)C)C(C)C)cc1 ZINC000013500215 555437838 /nfs/dbraw/zinc/43/78/38/555437838.db2.gz ILKUMSBLCVSTCH-RUZDIDTESA-N 1 2 472.637 5.286 40 0 JKABLO Cc1ccc(C[N@@H+](Cc2cc3cccc(C)c3[nH]c2=O)[C@@H](c2nnnn2C(C)(C)C)C(C)C)cc1 ZINC000013500215 555437841 /nfs/dbraw/zinc/43/78/41/555437841.db2.gz ILKUMSBLCVSTCH-RUZDIDTESA-N 1 2 472.637 5.286 40 0 JKABLO Cc1ccc(C[N@H+](Cc2cc3cc(C)cc(C)c3[nH]c2=O)[C@@H](c2nnnn2C(C)(C)C)C(C)C)cc1 ZINC000013500219 555438125 /nfs/dbraw/zinc/43/81/25/555438125.db2.gz PMESSKJOZNKVDB-AREMUKBSSA-N 1 2 486.664 5.594 40 0 JKABLO Cc1ccc(C[N@@H+](Cc2cc3cc(C)cc(C)c3[nH]c2=O)[C@@H](c2nnnn2C(C)(C)C)C(C)C)cc1 ZINC000013500219 555438127 /nfs/dbraw/zinc/43/81/27/555438127.db2.gz PMESSKJOZNKVDB-AREMUKBSSA-N 1 2 486.664 5.594 40 0 JKABLO Cc1ccc2[nH]c(=O)c(C[N@@H+](Cc3cccs3)[C@H](c3nnnn3C(C)(C)C)C(C)C)cc2c1 ZINC000013500266 555438570 /nfs/dbraw/zinc/43/85/70/555438570.db2.gz ZFCSYANUBUUWNB-QFIPXVFZSA-N 1 2 464.639 5.039 40 0 JKABLO Cc1ccc2[nH]c(=O)c(C[N@H+](Cc3cccs3)[C@H](c3nnnn3C(C)(C)C)C(C)C)cc2c1 ZINC000013500266 555438573 /nfs/dbraw/zinc/43/85/73/555438573.db2.gz ZFCSYANUBUUWNB-QFIPXVFZSA-N 1 2 464.639 5.039 40 0 JKABLO CCC(C)(C)n1nnnc1[C@@H](C(C)C)[N@H+](Cc1ccccc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013500299 555438609 /nfs/dbraw/zinc/43/86/09/555438609.db2.gz AVRZTOMCECGULX-RUZDIDTESA-N 1 2 472.637 5.368 40 0 JKABLO CCC(C)(C)n1nnnc1[C@@H](C(C)C)[N@@H+](Cc1ccccc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013500299 555438610 /nfs/dbraw/zinc/43/86/10/555438610.db2.gz AVRZTOMCECGULX-RUZDIDTESA-N 1 2 472.637 5.368 40 0 JKABLO Cc1cc(C)c2[nH]c(=O)c(C[N@@H+](Cc3ccccc3)[C@H](c3nnnn3Cc3ccco3)C(C)C)cc2c1 ZINC000013500330 555438903 /nfs/dbraw/zinc/43/89/03/555438903.db2.gz LFRPDIROLQSVGC-MHZLTWQESA-N 1 2 496.615 5.172 40 0 JKABLO Cc1cc(C)c2[nH]c(=O)c(C[N@H+](Cc3ccccc3)[C@H](c3nnnn3Cc3ccco3)C(C)C)cc2c1 ZINC000013500330 555438905 /nfs/dbraw/zinc/43/89/05/555438905.db2.gz LFRPDIROLQSVGC-MHZLTWQESA-N 1 2 496.615 5.172 40 0 JKABLO Cc1cccc2cc(C[N@@H+](Cc3ccccc3)[C@H](c3nnnn3Cc3ccccc3)C(C)C)c(=O)[nH]c12 ZINC000013500320 555438910 /nfs/dbraw/zinc/43/89/10/555438910.db2.gz HSIALBKRIYVOAO-NDEPHWFRSA-N 1 2 492.627 5.271 40 0 JKABLO Cc1cccc2cc(C[N@H+](Cc3ccccc3)[C@H](c3nnnn3Cc3ccccc3)C(C)C)c(=O)[nH]c12 ZINC000013500320 555438913 /nfs/dbraw/zinc/43/89/13/555438913.db2.gz HSIALBKRIYVOAO-NDEPHWFRSA-N 1 2 492.627 5.271 40 0 JKABLO Cc1ccc2[nH]c(=O)c(C[N@@H+](Cc3ccccc3)[C@@H](c3nnnn3C3CCCC3)C(C)C)cc2c1 ZINC000013500301 555438963 /nfs/dbraw/zinc/43/89/63/555438963.db2.gz XTDOUBLHBNWIOK-AREMUKBSSA-N 1 2 470.621 5.338 40 0 JKABLO Cc1ccc2[nH]c(=O)c(C[N@H+](Cc3ccccc3)[C@@H](c3nnnn3C3CCCC3)C(C)C)cc2c1 ZINC000013500301 555438966 /nfs/dbraw/zinc/43/89/66/555438966.db2.gz XTDOUBLHBNWIOK-AREMUKBSSA-N 1 2 470.621 5.338 40 0 JKABLO CCC(C)(C)n1nnnc1[C@@H](C(C)C)[N@H+](Cc1ccccc1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013500323 555439014 /nfs/dbraw/zinc/43/90/14/555439014.db2.gz WMCCEXWQNPGGFD-AREMUKBSSA-N 1 2 486.664 5.676 40 0 JKABLO CCC(C)(C)n1nnnc1[C@@H](C(C)C)[N@@H+](Cc1ccccc1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013500323 555439018 /nfs/dbraw/zinc/43/90/18/555439018.db2.gz WMCCEXWQNPGGFD-AREMUKBSSA-N 1 2 486.664 5.676 40 0 JKABLO CCC(C)(C)n1nnnc1[C@@H](C(C)C)[N@H+](Cc1ccc(F)cc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013500353 555439269 /nfs/dbraw/zinc/43/92/69/555439269.db2.gz CSRDNUBFMNBMPT-RUZDIDTESA-N 1 2 490.627 5.507 40 0 JKABLO CCC(C)(C)n1nnnc1[C@@H](C(C)C)[N@@H+](Cc1ccc(F)cc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013500353 555439272 /nfs/dbraw/zinc/43/92/72/555439272.db2.gz CSRDNUBFMNBMPT-RUZDIDTESA-N 1 2 490.627 5.507 40 0 JKABLO Cc1ccc2[nH]c(=O)c(C[N@@H+](Cc3ccc(F)cc3)[C@H](c3nnnn3C3CCCC3)C(C)C)cc2c1 ZINC000013500356 555439276 /nfs/dbraw/zinc/43/92/76/555439276.db2.gz XWXJGWHVIPPESH-SANMLTNESA-N 1 2 488.611 5.477 40 0 JKABLO Cc1ccc2[nH]c(=O)c(C[N@H+](Cc3ccc(F)cc3)[C@H](c3nnnn3C3CCCC3)C(C)C)cc2c1 ZINC000013500356 555439277 /nfs/dbraw/zinc/43/92/77/555439277.db2.gz XWXJGWHVIPPESH-SANMLTNESA-N 1 2 488.611 5.477 40 0 JKABLO Cc1ccc(C[N@H+](Cc2cc3cccc(C)c3[nH]c2=O)[C@@H](c2nnnn2C2CCCC2)C(C)C)cc1 ZINC000013500333 555439415 /nfs/dbraw/zinc/43/94/15/555439415.db2.gz LJSOLULKAZMJDR-HHHXNRCGSA-N 1 2 484.648 5.646 40 0 JKABLO Cc1ccc(C[N@@H+](Cc2cc3cccc(C)c3[nH]c2=O)[C@@H](c2nnnn2C2CCCC2)C(C)C)cc1 ZINC000013500333 555439420 /nfs/dbraw/zinc/43/94/20/555439420.db2.gz LJSOLULKAZMJDR-HHHXNRCGSA-N 1 2 484.648 5.646 40 0 JKABLO Cc1cc(C)c2[nH]c(=O)c(C[N@@H+](C[C@@H]3CCCO3)[C@@H](c3nnnn3C3CCCCC3)C(C)C)cc2c1 ZINC000013500406 555439681 /nfs/dbraw/zinc/43/96/81/555439681.db2.gz CVXJVEFADUEDLH-AZGAKELHSA-N 1 2 492.668 5.015 40 0 JKABLO Cc1cc(C)c2[nH]c(=O)c(C[N@H+](C[C@@H]3CCCO3)[C@@H](c3nnnn3C3CCCCC3)C(C)C)cc2c1 ZINC000013500406 555439683 /nfs/dbraw/zinc/43/96/83/555439683.db2.gz CVXJVEFADUEDLH-AZGAKELHSA-N 1 2 492.668 5.015 40 0 JKABLO Cc1cccc2cc(C[N@@H+](Cc3cccs3)[C@@H](c3nnnn3Cc3ccccc3)C(C)C)c(=O)[nH]c12 ZINC000013500474 555440417 /nfs/dbraw/zinc/44/04/17/555440417.db2.gz FIPACTGCHFCOFR-AREMUKBSSA-N 1 2 498.656 5.332 40 0 JKABLO Cc1cccc2cc(C[N@H+](Cc3cccs3)[C@@H](c3nnnn3Cc3ccccc3)C(C)C)c(=O)[nH]c12 ZINC000013500474 555440425 /nfs/dbraw/zinc/44/04/25/555440425.db2.gz FIPACTGCHFCOFR-AREMUKBSSA-N 1 2 498.656 5.332 40 0 JKABLO Cc1cccc2cc(C[N@@H+](Cc3cccs3)[C@H](c3nnnn3Cc3ccccc3)C(C)C)c(=O)[nH]c12 ZINC000013500475 555440556 /nfs/dbraw/zinc/44/05/56/555440556.db2.gz FIPACTGCHFCOFR-SANMLTNESA-N 1 2 498.656 5.332 40 0 JKABLO Cc1cccc2cc(C[N@H+](Cc3cccs3)[C@H](c3nnnn3Cc3ccccc3)C(C)C)c(=O)[nH]c12 ZINC000013500475 555440558 /nfs/dbraw/zinc/44/05/58/555440558.db2.gz FIPACTGCHFCOFR-SANMLTNESA-N 1 2 498.656 5.332 40 0 JKABLO Cc1ccc2[nH]c(=O)c(C[N@@H+](Cc3cccs3)[C@H](c3nnnn3Cc3ccccc3)C(C)C)cc2c1 ZINC000013500491 555441049 /nfs/dbraw/zinc/44/10/49/555441049.db2.gz QXVHOOIMVGBAGX-SANMLTNESA-N 1 2 498.656 5.332 40 0 JKABLO Cc1ccc2[nH]c(=O)c(C[N@H+](Cc3cccs3)[C@H](c3nnnn3Cc3ccccc3)C(C)C)cc2c1 ZINC000013500491 555441051 /nfs/dbraw/zinc/44/10/51/555441051.db2.gz QXVHOOIMVGBAGX-SANMLTNESA-N 1 2 498.656 5.332 40 0 JKABLO CCC[C@@H](c1nnnn1C(C)(C)C)[N@H+](Cc1ccc(F)cc1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013500717 555442838 /nfs/dbraw/zinc/44/28/38/555442838.db2.gz GOTCEENHBPIFIK-DEOSSOPVSA-N 1 2 490.627 5.569 40 0 JKABLO CCC[C@@H](c1nnnn1C(C)(C)C)[N@@H+](Cc1ccc(F)cc1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013500717 555442840 /nfs/dbraw/zinc/44/28/40/555442840.db2.gz GOTCEENHBPIFIK-DEOSSOPVSA-N 1 2 490.627 5.569 40 0 JKABLO CCC[C@H](c1nnnn1C(C)(C)C)[N@H+](Cc1ccc(F)cc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013500714 555442845 /nfs/dbraw/zinc/44/28/45/555442845.db2.gz PPCSEXTUJBGMIZ-XMMPIXPASA-N 1 2 476.600 5.261 40 0 JKABLO CCC[C@H](c1nnnn1C(C)(C)C)[N@@H+](Cc1ccc(F)cc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013500714 555442847 /nfs/dbraw/zinc/44/28/47/555442847.db2.gz PPCSEXTUJBGMIZ-XMMPIXPASA-N 1 2 476.600 5.261 40 0 JKABLO CCC[C@H](c1nnnn1C(C)(C)C)[N@H+](Cc1ccccc1)Cc1cc2cc(OCC)ccc2[nH]c1=O ZINC000013500702 555442872 /nfs/dbraw/zinc/44/28/72/555442872.db2.gz CITJRYWTXJCDDT-RUZDIDTESA-N 1 2 488.636 5.212 40 0 JKABLO CCC[C@H](c1nnnn1C(C)(C)C)[N@@H+](Cc1ccccc1)Cc1cc2cc(OCC)ccc2[nH]c1=O ZINC000013500702 555442874 /nfs/dbraw/zinc/44/28/74/555442874.db2.gz CITJRYWTXJCDDT-RUZDIDTESA-N 1 2 488.636 5.212 40 0 JKABLO CCC[C@H](c1nnnn1C(C)(C)C)[N@H+](Cc1ccc(C)cc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013500704 555442914 /nfs/dbraw/zinc/44/29/14/555442914.db2.gz CIQDJZMVWGDMNB-RUZDIDTESA-N 1 2 472.637 5.430 40 0 JKABLO CCC[C@H](c1nnnn1C(C)(C)C)[N@@H+](Cc1ccc(C)cc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013500704 555442917 /nfs/dbraw/zinc/44/29/17/555442917.db2.gz CIQDJZMVWGDMNB-RUZDIDTESA-N 1 2 472.637 5.430 40 0 JKABLO CCC[C@@H](c1nnnn1C(C)(C)C)[N@H+](Cc1ccccc1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013500701 555442947 /nfs/dbraw/zinc/44/29/47/555442947.db2.gz CIEJFMFVQIGZQY-DEOSSOPVSA-N 1 2 472.637 5.430 40 0 JKABLO CCC[C@@H](c1nnnn1C(C)(C)C)[N@@H+](Cc1ccccc1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013500701 555442949 /nfs/dbraw/zinc/44/29/49/555442949.db2.gz CIEJFMFVQIGZQY-DEOSSOPVSA-N 1 2 472.637 5.430 40 0 JKABLO CCC[C@@H](c1nnnn1C(C)(C)C)[N@H+](Cc1cccs1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013500745 555443378 /nfs/dbraw/zinc/44/33/78/555443378.db2.gz OSKHHZQUTAKDEH-NRFANRHFSA-N 1 2 464.639 5.183 40 0 JKABLO CCC[C@@H](c1nnnn1C(C)(C)C)[N@@H+](Cc1cccs1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013500745 555443380 /nfs/dbraw/zinc/44/33/80/555443380.db2.gz OSKHHZQUTAKDEH-NRFANRHFSA-N 1 2 464.639 5.183 40 0 JKABLO CCC[C@@H](c1nnnn1C(C)(C)CC)[N@H+](Cc1ccccc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013500769 555443815 /nfs/dbraw/zinc/44/38/15/555443815.db2.gz PLJUNPMTJXHISV-DEOSSOPVSA-N 1 2 472.637 5.512 40 0 JKABLO CCC[C@@H](c1nnnn1C(C)(C)CC)[N@@H+](Cc1ccccc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013500769 555443817 /nfs/dbraw/zinc/44/38/17/555443817.db2.gz PLJUNPMTJXHISV-DEOSSOPVSA-N 1 2 472.637 5.512 40 0 JKABLO CCC[C@H](c1nnnn1C1CCCCC1)[N@H+](Cc1ccc(C)cc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013500810 555444242 /nfs/dbraw/zinc/44/42/42/555444242.db2.gz LUIFOVFANGGKSB-HHHXNRCGSA-N 1 2 498.675 6.180 40 0 JKABLO CCC[C@H](c1nnnn1C1CCCCC1)[N@@H+](Cc1ccc(C)cc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013500810 555444245 /nfs/dbraw/zinc/44/42/45/555444245.db2.gz LUIFOVFANGGKSB-HHHXNRCGSA-N 1 2 498.675 6.180 40 0 JKABLO CCC[C@@H](c1nnnn1Cc1ccco1)[N@H+](Cc1ccc(C)cc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013500813 555444376 /nfs/dbraw/zinc/44/43/76/555444376.db2.gz QGNOHTSYGCXYAV-SANMLTNESA-N 1 2 496.615 5.316 40 0 JKABLO CCC[C@@H](c1nnnn1Cc1ccco1)[N@@H+](Cc1ccc(C)cc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013500813 555444379 /nfs/dbraw/zinc/44/43/79/555444379.db2.gz QGNOHTSYGCXYAV-SANMLTNESA-N 1 2 496.615 5.316 40 0 JKABLO CCC[C@H](c1nnnn1C(C)(C)CC)[N@H+](Cc1ccc(F)cc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013500832 555444406 /nfs/dbraw/zinc/44/44/06/555444406.db2.gz GXOORCIUDAAGGY-RUZDIDTESA-N 1 2 490.627 5.651 40 0 JKABLO CCC[C@H](c1nnnn1C(C)(C)CC)[N@@H+](Cc1ccc(F)cc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013500832 555444409 /nfs/dbraw/zinc/44/44/09/555444409.db2.gz GXOORCIUDAAGGY-RUZDIDTESA-N 1 2 490.627 5.651 40 0 JKABLO CCC[C@@H](c1nnnn1C1CCCCC1)[N@@H+](Cc1cc2cc(C)cc(C)c2[nH]c1=O)C[C@@H]1CCCO1 ZINC000013500891 555445157 /nfs/dbraw/zinc/44/51/57/555445157.db2.gz JHQUTYYNFHTTEN-DQEYMECFSA-N 1 2 492.668 5.159 40 0 JKABLO CCC[C@@H](c1nnnn1C1CCCCC1)[N@H+](Cc1cc2cc(C)cc(C)c2[nH]c1=O)C[C@@H]1CCCO1 ZINC000013500891 555445159 /nfs/dbraw/zinc/44/51/59/555445159.db2.gz JHQUTYYNFHTTEN-DQEYMECFSA-N 1 2 492.668 5.159 40 0 JKABLO CCC[C@H](c1nnnn1Cc1ccccc1)[N@H+](Cc1cccs1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013500948 555445479 /nfs/dbraw/zinc/44/54/79/555445479.db2.gz RIFMHJCMXTULQT-RUZDIDTESA-N 1 2 498.656 5.476 40 0 JKABLO CCC[C@H](c1nnnn1Cc1ccccc1)[N@@H+](Cc1cccs1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013500948 555445484 /nfs/dbraw/zinc/44/54/84/555445484.db2.gz RIFMHJCMXTULQT-RUZDIDTESA-N 1 2 498.656 5.476 40 0 JKABLO CCC[C@@H](c1nnnn1C(C)(C)CC)[N@H+](Cc1cccs1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013500943 555445564 /nfs/dbraw/zinc/44/55/64/555445564.db2.gz OEQUAURUCNZEDQ-QFIPXVFZSA-N 1 2 478.666 5.573 40 0 JKABLO CCC[C@@H](c1nnnn1C(C)(C)CC)[N@@H+](Cc1cccs1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013500943 555445567 /nfs/dbraw/zinc/44/55/67/555445567.db2.gz OEQUAURUCNZEDQ-QFIPXVFZSA-N 1 2 478.666 5.573 40 0 JKABLO CCC[C@H](c1nnnn1C1CCCC1)[N@H+](Cc1cccs1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013500944 555445575 /nfs/dbraw/zinc/44/55/75/555445575.db2.gz UPSAHDWRCNCYKJ-HSZRJFAPSA-N 1 2 476.650 5.543 40 0 JKABLO CCC[C@H](c1nnnn1C1CCCC1)[N@@H+](Cc1cccs1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013500944 555445578 /nfs/dbraw/zinc/44/55/78/555445578.db2.gz UPSAHDWRCNCYKJ-HSZRJFAPSA-N 1 2 476.650 5.543 40 0 JKABLO CCC[C@@H](c1nnnn1Cc1ccco1)[N@H+](Cc1cccs1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013500967 555446002 /nfs/dbraw/zinc/44/60/02/555446002.db2.gz SXMHSDONJURGQT-DEOSSOPVSA-N 1 2 488.617 5.069 40 0 JKABLO CCC[C@@H](c1nnnn1Cc1ccco1)[N@@H+](Cc1cccs1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013500967 555446005 /nfs/dbraw/zinc/44/60/05/555446005.db2.gz SXMHSDONJURGQT-DEOSSOPVSA-N 1 2 488.617 5.069 40 0 JKABLO Cc1ccc2[nH]c(=O)c(C[N@H+](Cc3ccccc3)C3(c4nnnn4C4CCCC4)CCCC3)cc2c1 ZINC000013501221 555448719 /nfs/dbraw/zinc/44/87/19/555448719.db2.gz QXLWQIQPZBTIPK-UHFFFAOYSA-N 1 2 482.632 5.410 40 0 JKABLO Cc1ccc2[nH]c(=O)c(C[N@@H+](Cc3ccccc3)C3(c4nnnn4C4CCCC4)CCCC3)cc2c1 ZINC000013501221 555448722 /nfs/dbraw/zinc/44/87/22/555448722.db2.gz QXLWQIQPZBTIPK-UHFFFAOYSA-N 1 2 482.632 5.410 40 0 JKABLO Cc1cc(C)c2[nH]c(=O)c(C[N@H+](Cc3ccccc3)C3(c4nnnn4C4CCCC4)CCCC3)cc2c1 ZINC000013501222 555448772 /nfs/dbraw/zinc/44/87/72/555448772.db2.gz CHNCNHWVRCNYCB-UHFFFAOYSA-N 1 2 496.659 5.718 40 0 JKABLO Cc1cc(C)c2[nH]c(=O)c(C[N@@H+](Cc3ccccc3)C3(c4nnnn4C4CCCC4)CCCC3)cc2c1 ZINC000013501222 555448775 /nfs/dbraw/zinc/44/87/75/555448775.db2.gz CHNCNHWVRCNYCB-UHFFFAOYSA-N 1 2 496.659 5.718 40 0 JKABLO CC[N@H+](Cc1ccccc1)[C@@H](c1nnnn1CCc1ccccc1)c1cccc(C(F)(F)F)c1 ZINC000013561788 555495114 /nfs/dbraw/zinc/49/51/14/555495114.db2.gz KXRULTROXFBIFC-XMMPIXPASA-N 1 2 465.523 5.546 40 0 JKABLO CC[N@@H+](Cc1ccccc1)[C@@H](c1nnnn1CCc1ccccc1)c1cccc(C(F)(F)F)c1 ZINC000013561788 555495116 /nfs/dbraw/zinc/49/51/16/555495116.db2.gz KXRULTROXFBIFC-XMMPIXPASA-N 1 2 465.523 5.546 40 0 JKABLO Cc1sc(NC(=O)C[NH+]2CCCCC2)nc1-c1ccc2c(c1)CCN2C(=O)c1cccc(C)c1 ZINC000013564962 555500557 /nfs/dbraw/zinc/50/05/57/555500557.db2.gz CKMHMMKPBZHMQC-UHFFFAOYSA-N 1 2 474.630 5.054 40 0 JKABLO Cc1sc(NC(=O)C[NH+]2CCCCC2)nc1-c1ccc2c(c1)CCN2C(=O)C1CCCCC1 ZINC000013565799 555502855 /nfs/dbraw/zinc/50/28/55/555502855.db2.gz NQJVQJLEGGNHCQ-UHFFFAOYSA-N 1 2 466.651 5.012 40 0 JKABLO CC(C)(C)CC(=O)N1CCc2cc(-c3csc(NC(=O)C[N@@H+]4CCc5ccccc5C4)n3)ccc21 ZINC000013565766 555502894 /nfs/dbraw/zinc/50/28/94/555502894.db2.gz NWLKZGJPEVNUGW-UHFFFAOYSA-N 1 2 488.657 5.132 40 0 JKABLO CC(C)(C)CC(=O)N1CCc2cc(-c3csc(NC(=O)C[N@H+]4CCc5ccccc5C4)n3)ccc21 ZINC000013565766 555502895 /nfs/dbraw/zinc/50/28/95/555502895.db2.gz NWLKZGJPEVNUGW-UHFFFAOYSA-N 1 2 488.657 5.132 40 0 JKABLO c1ccc(C[NH+](Cc2ccccc2)C2(c3nnnn3C(c3ccccc3)c3ccccc3)CCCC2)cc1 ZINC000013575460 555513958 /nfs/dbraw/zinc/51/39/58/555513958.db2.gz YPYJSABOSUXTFU-UHFFFAOYSA-N 1 2 499.662 6.783 40 0 JKABLO COc1ccc([C@@H](c2c(C)c(C)sc2NC(=O)c2ccccc2)[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000019880225 555525578 /nfs/dbraw/zinc/52/55/78/555525578.db2.gz GGOZONKTNSXQDC-RPPIVITFSA-N 1 2 464.631 5.824 40 0 JKABLO COc1ccc([C@H]2[C@H]3CCCC[C@@]3(O)CC[N@@H+]2CC(=O)Nc2ccc(Cl)cc2Cl)c(OC)c1 ZINC000013768986 555613708 /nfs/dbraw/zinc/61/37/08/555613708.db2.gz LDXVWFULKHKEMT-BTZRARBUSA-N 1 2 493.431 5.317 40 0 JKABLO COc1ccc([C@H]2[C@H]3CCCC[C@@]3(O)CC[N@H+]2CC(=O)Nc2ccc(Cl)cc2Cl)c(OC)c1 ZINC000013768986 555613713 /nfs/dbraw/zinc/61/37/13/555613713.db2.gz LDXVWFULKHKEMT-BTZRARBUSA-N 1 2 493.431 5.317 40 0 JKABLO Cc1cccc2cc(C[N@@H+](Cc3ccco3)[C@H](c3nnnn3CCc3ccccc3)C(C)C)c(=O)[nH]c12 ZINC000013831850 555630356 /nfs/dbraw/zinc/63/03/56/555630356.db2.gz FSGMXJQPRRSAIU-MHZLTWQESA-N 1 2 496.615 5.058 40 0 aggregator JKABLO Cc1cccc2cc(C[N@H+](Cc3ccco3)[C@H](c3nnnn3CCc3ccccc3)C(C)C)c(=O)[nH]c12 ZINC000013831850 555630358 /nfs/dbraw/zinc/63/03/58/555630358.db2.gz FSGMXJQPRRSAIU-MHZLTWQESA-N 1 2 496.615 5.058 40 0 aggregator JKABLO Cc1cc(S(=O)(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c(C)cc1Cl ZINC000013947118 555658400 /nfs/dbraw/zinc/65/84/00/555658400.db2.gz JLMRDLLEFHGQBC-UHFFFAOYSA-N 1 2 455.023 5.053 40 0 JKABLO O=C(Nc1ccc(Oc2ccccc2)cc1)c1ccc(C[NH+]2CCN(Cc3ccccc3)CC2)cc1 ZINC000020241816 555737659 /nfs/dbraw/zinc/73/76/59/555737659.db2.gz BLUBORPJEITTEF-UHFFFAOYSA-N 1 2 477.608 6.049 40 0 JKABLO O=C(/C=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000014273160 555772508 /nfs/dbraw/zinc/77/25/08/555772508.db2.gz TZQDGHROITTXKY-SOFGYWHQSA-N 1 2 457.357 5.738 40 0 JKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)c4cccc(F)c4)cc3n2)c(C)c1 ZINC000014275856 555781988 /nfs/dbraw/zinc/78/19/88/555781988.db2.gz HGJKDOCVWDDHAK-UHFFFAOYSA-N 1 2 490.608 5.149 40 0 JKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)C=Cc4ccco4)cc3n2)c(C)c1 ZINC000014275848 555782093 /nfs/dbraw/zinc/78/20/93/555782093.db2.gz DHXVBCXPWGOKSF-ZRDIBKRKSA-N 1 2 488.617 5.003 40 0 JKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=O)COc4ccc(C(C)(C)C)cc4)cc3n2)c(C)c1 ZINC000014278543 555788860 /nfs/dbraw/zinc/78/88/60/555788860.db2.gz RMWCXDPYYAJINA-UHFFFAOYSA-N 1 2 499.659 6.199 40 0 JKABLO Cc1ccc(NC(=S)N2CC[NH+](C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1C ZINC000022532487 555932419 /nfs/dbraw/zinc/93/24/19/555932419.db2.gz SZYKGQMTJZYOOS-UHFFFAOYSA-N 1 2 451.586 5.686 40 0 JKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=O)c4cc(Cl)ccc4Cl)cc3n2)cc1 ZINC000022704029 555942640 /nfs/dbraw/zinc/94/26/40/555942640.db2.gz ZUSWPZODQRLKIK-UHFFFAOYSA-N 1 2 468.388 6.134 40 0 JKABLO O=C(Nc1ccc(Cl)c(Cl)c1)N1CC[NH+](C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000022712292 555946336 /nfs/dbraw/zinc/94/63/36/555946336.db2.gz ZFULTKKJNXZKNX-UHFFFAOYSA-N 1 2 476.354 6.211 40 0 JKABLO Fc1ccc(C(c2ccc(F)cc2)[NH+]2CCN(C(=S)Nc3ccc(F)c(Cl)c3)CC2)cc1 ZINC000022712135 555946342 /nfs/dbraw/zinc/94/63/42/555946342.db2.gz WQWDAYUCXXTLCX-UHFFFAOYSA-N 1 2 475.967 5.861 40 0 JKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(Br)cc4)cc3n2)cc1 ZINC000022714283 555947163 /nfs/dbraw/zinc/94/71/63/555947163.db2.gz RYPANYONRZHIFQ-UHFFFAOYSA-N 1 2 478.394 5.590 40 0 JKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=O)CSc4ccc(Cl)cc4)cc3n2)cc1 ZINC000022716760 555947757 /nfs/dbraw/zinc/94/77/57/555947757.db2.gz SIVHQWFPQYJKDY-UHFFFAOYSA-N 1 2 480.037 5.959 40 0 JKABLO Cc1ccc(C)c(CSc2[nH+]cnc3c2c(-c2ccccc2)cn3-c2cccc(Cl)c2)c1 ZINC000016757803 556157782 /nfs/dbraw/zinc/15/77/82/556157782.db2.gz IWHYBDYSECLWOB-UHFFFAOYSA-N 1 2 456.014 7.650 40 0 JKABLO O=C(CSc1[nH+]cnc2c1c(-c1ccccc1)cn2-c1cccc(Cl)c1)c1ccccc1 ZINC000016757823 556157824 /nfs/dbraw/zinc/15/78/24/556157824.db2.gz NFQYRBILAHBGTE-UHFFFAOYSA-N 1 2 455.970 6.716 40 0 JKABLO Cc1ccc(CSc2[nH+]cnc3c2c(-c2ccccc2)cn3-c2ccc(C)c(Cl)c2)cc1 ZINC000016758079 556158495 /nfs/dbraw/zinc/15/84/95/556158495.db2.gz GXAZKATXJSLHMR-UHFFFAOYSA-N 1 2 456.014 7.650 40 0 JKABLO O=S(=O)(Cc1c(Cl)cccc1Cl)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000026111016 556242864 /nfs/dbraw/zinc/24/28/64/556242864.db2.gz ZGRLIAQNKWHPCX-UHFFFAOYSA-N 1 2 475.441 5.230 40 0 JKABLO Cc1ccc(OC[C@@H](O)C[NH+]2CCN(C(c3ccccc3)c3ccccc3)CC2)c(C(C)(C)C)c1 ZINC000026781421 556262544 /nfs/dbraw/zinc/26/25/44/556262544.db2.gz PJRZOOCZBHCZAT-MHZLTWQESA-N 1 2 472.673 5.439 40 0 JKABLO CC[C@H](C)c1ccc(-n2c3nn(C[N@H+](C)Cc4ccc(C)cc4)c(=S)n3c3ccccc3c2=O)cc1 ZINC000013070156 556267395 /nfs/dbraw/zinc/26/73/95/556267395.db2.gz KFZDHMVAOGDTKG-NRFANRHFSA-N 1 2 497.668 6.081 40 0 JKABLO CC[C@H](C)c1ccc(-n2c3nn(C[N@@H+](C)Cc4ccc(C)cc4)c(=S)n3c3ccccc3c2=O)cc1 ZINC000013070156 556267398 /nfs/dbraw/zinc/26/73/98/556267398.db2.gz KFZDHMVAOGDTKG-NRFANRHFSA-N 1 2 497.668 6.081 40 0 JKABLO CC[C@@H](C)c1ccc(-n2c3nn(C[N@H+](C)Cc4ccccc4)c(=S)n3c3ccccc3c2=O)cc1 ZINC000013070694 556268027 /nfs/dbraw/zinc/26/80/27/556268027.db2.gz LJXSSDBPTHNSNP-HXUWFJFHSA-N 1 2 483.641 5.772 40 0 JKABLO CC[C@@H](C)c1ccc(-n2c3nn(C[N@@H+](C)Cc4ccccc4)c(=S)n3c3ccccc3c2=O)cc1 ZINC000013070694 556268031 /nfs/dbraw/zinc/26/80/31/556268031.db2.gz LJXSSDBPTHNSNP-HXUWFJFHSA-N 1 2 483.641 5.772 40 0 JKABLO CCc1ccc(-n2c3nn(C[N@@H+]4CCC[C@H]5CCCC[C@@H]54)c(=S)n3c3ccccc3c2=O)cc1 ZINC000013073421 556273150 /nfs/dbraw/zinc/27/31/50/556273150.db2.gz DLSIUUOBBCUDPG-OFNKIYASSA-N 1 2 473.646 5.344 40 0 JKABLO CCc1ccc(-n2c3nn(C[N@H+]4CCC[C@H]5CCCC[C@@H]54)c(=S)n3c3ccccc3c2=O)cc1 ZINC000013073421 556273155 /nfs/dbraw/zinc/27/31/55/556273155.db2.gz DLSIUUOBBCUDPG-OFNKIYASSA-N 1 2 473.646 5.344 40 0 JKABLO Cc1nc(-c2cccnc2)sc1C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000028210385 556321434 /nfs/dbraw/zinc/32/14/34/556321434.db2.gz YAZRCYOZUDKQHW-UHFFFAOYSA-N 1 2 454.599 5.061 40 0 JKABLO CCc1ccc2[nH]c(=O)c([C@H](c3nnnn3C3CCCCC3)[N@H+](CC)Cc3ccccc3)cc2c1 ZINC000019522963 556351051 /nfs/dbraw/zinc/35/10/51/556351051.db2.gz FYTROPUAMZBYEV-AREMUKBSSA-N 1 2 470.621 5.194 40 0 JKABLO CCc1ccc2[nH]c(=O)c([C@H](c3nnnn3C3CCCCC3)[N@@H+](CC)Cc3ccccc3)cc2c1 ZINC000019522963 556351057 /nfs/dbraw/zinc/35/10/57/556351057.db2.gz FYTROPUAMZBYEV-AREMUKBSSA-N 1 2 470.621 5.194 40 0 JKABLO CCCN1CN(c2ccc(C)cc2)C2=N[C@H](c3ccccc3)[NH+]=C(Nc3ccc(C)cc3)N2C1 ZINC000030874461 556386134 /nfs/dbraw/zinc/38/61/34/556386134.db2.gz DHSCFCZMVAUTFD-AREMUKBSSA-N 1 2 452.606 5.589 40 0 JKABLO Cc1c(OCc2cccc3ccccc32)ccc2c(=O)cc(SCC[NH+]3CCOCC3)oc12 ZINC000031870809 556409121 /nfs/dbraw/zinc/40/91/21/556409121.db2.gz IAKGYXVAJPFPQS-UHFFFAOYSA-N 1 2 461.583 5.258 40 0 JKABLO COc1ccc2[nH]c(C[C@@H]3C[C@@H](C(C)C)[C@H](CNC(=O)NC4CCCCC4)C=C3C)[nH+]c2c1 ZINC000225399037 560043698 /nfs/dbraw/zinc/04/36/98/560043698.db2.gz LYUIADVJFIWJCD-JTAQYXEDSA-N 1 2 452.643 5.601 40 0 biogenic,in-vitro JKABLO O=C1[C@@H]2C[C@@H](C[N@H+]2Cc2ccc(F)cc2)Oc2ccccc2N1Cc1ccc(OC(F)(F)F)cc1 ZINC000096111956 560061106 /nfs/dbraw/zinc/06/11/06/560061106.db2.gz ZULISYZAERTXHS-GMAHTHKFSA-N 1 2 486.465 5.293 40 0 biogenic,in-vitro JKABLO O=C1[C@@H]2C[C@@H](C[N@@H+]2Cc2ccc(F)cc2)Oc2ccccc2N1Cc1ccc(OC(F)(F)F)cc1 ZINC000096111956 560061107 /nfs/dbraw/zinc/06/11/07/560061107.db2.gz ZULISYZAERTXHS-GMAHTHKFSA-N 1 2 486.465 5.293 40 0 biogenic,in-vitro JKABLO CCc1cc([C@H](c2cccc(F)c2)[NH+]2CCN(c3ccccc3)CC2)c(NC(=O)c2ccccc2)s1 ZINC000054350370 569589867 /nfs/dbraw/zinc/58/98/67/569589867.db2.gz ZTNNZTOTFJXSMS-NDEPHWFRSA-N 1 2 499.655 6.614 40 0 JKABLO CCc1cc([C@@H](c2cccc(F)c2)[NH+]2CCN(c3ccccc3)CC2)c(NC(=O)c2ccccc2)s1 ZINC000054350366 569589978 /nfs/dbraw/zinc/58/99/78/569589978.db2.gz ZTNNZTOTFJXSMS-MUUNZHRXSA-N 1 2 499.655 6.614 40 0 JKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=O)c4ccc5nsnc5c4)cc3n2)c(C)c1 ZINC000057313129 569596466 /nfs/dbraw/zinc/59/64/66/569596466.db2.gz HNIYPRAXSDMIJN-UHFFFAOYSA-N 1 2 471.590 5.141 40 0 JKABLO Cc1cc2cc(C[N@@H+](C[C@H]3CCCO3)[C@@H](c3nnnn3C3CCCCC3)C(C)C)c(=O)[nH]c2cc1C ZINC000033937248 569638637 /nfs/dbraw/zinc/63/86/37/569638637.db2.gz AROSIMDYIAPRSY-AOYPEHQESA-N 1 2 492.668 5.015 40 0 JKABLO Cc1cc2cc(C[N@H+](C[C@H]3CCCO3)[C@@H](c3nnnn3C3CCCCC3)C(C)C)c(=O)[nH]c2cc1C ZINC000033937248 569638638 /nfs/dbraw/zinc/63/86/38/569638638.db2.gz AROSIMDYIAPRSY-AOYPEHQESA-N 1 2 492.668 5.015 40 0 JKABLO CC(C)(C)OC(=O)N1CCN(c2ccc([C@H]3CCCCN3C(=O)OCc3ccccc3)c[nH+]2)CC1 ZINC000072216433 569700549 /nfs/dbraw/zinc/70/05/49/569700549.db2.gz NUHSNTSCRPTRAW-HSZRJFAPSA-N 1 2 480.609 5.003 40 0 JKABLO O=C1C2[C@H](c3ccccc3)N(C[N@@H+]3[C@@H](c4ccccc4)C1[C@H]3c1ccccc1)[C@@H]2c1ccccc1 ZINC000100293705 569756950 /nfs/dbraw/zinc/75/69/50/569756950.db2.gz GQEOESVBSCGECK-ZRBGJJMDSA-N 1 2 456.589 6.355 40 0 JKABLO O=C1C2[C@H](c3ccccc3)N(C[N@H+]3[C@@H](c4ccccc4)C1[C@H]3c1ccccc1)[C@@H]2c1ccccc1 ZINC000100293705 569756952 /nfs/dbraw/zinc/75/69/52/569756952.db2.gz GQEOESVBSCGECK-ZRBGJJMDSA-N 1 2 456.589 6.355 40 0 JKABLO CCC(C)(C)n1nnnc1[C@@H](C(C)C)[N@H+](Cc1ccc(C)cc1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000100382176 569758459 /nfs/dbraw/zinc/75/84/59/569758459.db2.gz UVOCGURKOOMAIG-AREMUKBSSA-N 1 2 486.664 5.676 40 0 JKABLO CCC(C)(C)n1nnnc1[C@@H](C(C)C)[N@@H+](Cc1ccc(C)cc1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000100382176 569758461 /nfs/dbraw/zinc/75/84/61/569758461.db2.gz UVOCGURKOOMAIG-AREMUKBSSA-N 1 2 486.664 5.676 40 0 JKABLO Cc1[nH]c2ccccc2c1C(=O)[C@@H](c1ccccc1)[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000037100528 569781345 /nfs/dbraw/zinc/78/13/45/569781345.db2.gz SKWINKWHSADLLS-AREMUKBSSA-N 1 2 477.530 6.241 40 0 JKABLO COc1ccc(C(=O)C[C@H](c2ccc(Br)cc2)[N@@H+]2CCc3ccccc3C2)cc1 ZINC000039379289 569809676 /nfs/dbraw/zinc/80/96/76/569809676.db2.gz AHDUGTJEYFDTLI-XMMPIXPASA-N 1 2 450.376 5.830 40 0 JKABLO COc1ccc(C(=O)C[C@H](c2ccc(Br)cc2)[N@H+]2CCc3ccccc3C2)cc1 ZINC000039379289 569809677 /nfs/dbraw/zinc/80/96/77/569809677.db2.gz AHDUGTJEYFDTLI-XMMPIXPASA-N 1 2 450.376 5.830 40 0 JKABLO O=C1C[C@H](c2ccc(Br)cc2)[NH2+][C@@H](c2ccc(Br)cc2)[C@@H]1c1ccccc1 ZINC000104260028 569844226 /nfs/dbraw/zinc/84/42/26/569844226.db2.gz GWXVHIWWZSJFAP-MZYLBHOOSA-N 1 2 485.219 6.340 40 0 aggregator JKABLO O=C1/C(=C\c2ccc(Cl)cc2)c2ccc(Cl)cc2N1C[N@H+]1C[C@H]2C[C@H](Cn3c(=O)cccc32)C1 ZINC000208209232 569874968 /nfs/dbraw/zinc/87/49/68/569874968.db2.gz XOQKQEQYTXWIBQ-ARMWLGIGSA-N 1 2 492.406 5.119 40 0 JKABLO O=C1/C(=C\c2ccc(Cl)cc2)c2ccc(Cl)cc2N1C[N@@H+]1C[C@H]2C[C@H](Cn3c(=O)cccc32)C1 ZINC000208209232 569874969 /nfs/dbraw/zinc/87/49/69/569874969.db2.gz XOQKQEQYTXWIBQ-ARMWLGIGSA-N 1 2 492.406 5.119 40 0 JKABLO C[NH+](C)c1ccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccc2)cc1 ZINC000223394459 569909750 /nfs/dbraw/zinc/90/97/50/569909750.db2.gz YBZLLQJRMOXPLY-FTJBHMTQSA-N 1 2 453.615 5.111 40 0 JKABLO COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc([NH+](C)C)cc2)cc1 ZINC000223769650 569922710 /nfs/dbraw/zinc/92/27/10/569922710.db2.gz OBGVJILAHLCFKT-FTJBHMTQSA-N 1 2 469.614 5.124 40 0 JKABLO CCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2ccc([NH+](C)C)cc2)cc1 ZINC000223826698 569924456 /nfs/dbraw/zinc/92/44/56/569924456.db2.gz YJJZSJMJOIEPRO-RRPNLBNLSA-N 1 2 483.641 5.514 40 0 JKABLO CCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2ccc([NH+](C)C)cc2)cc1 ZINC000223826758 569924475 /nfs/dbraw/zinc/92/44/75/569924475.db2.gz YJJZSJMJOIEPRO-KAYWLYCHSA-N 1 2 483.641 5.514 40 0 JKABLO CN(C)c1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2ccc([NH+](C)C)cc2)cc1 ZINC000223905300 569926817 /nfs/dbraw/zinc/92/68/17/569926817.db2.gz FLACIWSKONIODM-KAYWLYCHSA-N 1 2 482.657 5.181 40 0 JKABLO CN(C)c1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc([NH+](C)C)cc2)cc1 ZINC000223905351 569926846 /nfs/dbraw/zinc/92/68/46/569926846.db2.gz FLACIWSKONIODM-SXOMAYOGSA-N 1 2 482.657 5.181 40 0 JKABLO CCC(C)(C)c1ccc(OC(=O)Nc2cccc(-c3cn4cccc(C)c4[nH+]3)c2)c(C(C)(C)CC)c1 ZINC000224137261 569934211 /nfs/dbraw/zinc/93/42/11/569934211.db2.gz MSQVMIPNOPLBIK-UHFFFAOYSA-N 1 2 483.656 8.296 40 0 JKABLO COc1ccc(C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)cc1COc1ccc(Cl)cc1 ZINC000224164666 569935085 /nfs/dbraw/zinc/93/50/85/569935085.db2.gz WZUHLKUDZUZSMN-VMPITWQZSA-N 1 2 477.004 5.399 40 0 JKABLO COc1ccc(C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)cc1COc1ccc(C(C)(C)C)cc1 ZINC000224188246 569935769 /nfs/dbraw/zinc/93/57/69/569935769.db2.gz FKUXOWHSJPNFHY-DHZHZOJOSA-N 1 2 498.667 6.043 40 0 JKABLO Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2ccc([NH+](C)C)cc2)cc1 ZINC000224210607 569936606 /nfs/dbraw/zinc/93/66/06/569936606.db2.gz LBQAWRLVAWDXIX-IZZNHLLZSA-N 1 2 453.615 5.424 40 0 JKABLO Cc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2ccc([NH+](C)C)cc2)c1 ZINC000224242816 569937799 /nfs/dbraw/zinc/93/77/99/569937799.db2.gz YWKIKHHRBQTOSE-IZZNHLLZSA-N 1 2 453.615 5.424 40 0 JKABLO Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc([NH+](C)C)cc2)cc1C ZINC000224275468 569938886 /nfs/dbraw/zinc/93/88/86/569938886.db2.gz GUFQKZSCCAHODE-SVBPBHIXSA-N 1 2 467.642 5.732 40 0 JKABLO Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc([NH+](C)C)cc2)cc1C ZINC000224275516 569938899 /nfs/dbraw/zinc/93/88/99/569938899.db2.gz GUFQKZSCCAHODE-SXOMAYOGSA-N 1 2 467.642 5.732 40 0 JKABLO Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2ccc([NH+](C)C)cc2)cc1C ZINC000224275585 569938930 /nfs/dbraw/zinc/93/89/30/569938930.db2.gz GUFQKZSCCAHODE-KAYWLYCHSA-N 1 2 467.642 5.732 40 0 JKABLO COc1ccc(C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)cc1COc1ccc(C)c(C)c1 ZINC000224296961 569939670 /nfs/dbraw/zinc/93/96/70/569939670.db2.gz MBIRCGBNEAOBEY-JXMROGBWSA-N 1 2 470.613 5.362 40 0 JKABLO CCc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2ccc([NH+](C)C)cc2)cc1 ZINC000224343310 569941289 /nfs/dbraw/zinc/94/12/89/569941289.db2.gz ZYZQLIFTONDSMN-RRPNLBNLSA-N 1 2 467.642 5.678 40 0 JKABLO CCOc1ccc(C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)cc1COc1ccccc1C ZINC000224379820 569942644 /nfs/dbraw/zinc/94/26/44/569942644.db2.gz MEQIMOWOANDZKG-UKTHLTGXSA-N 1 2 470.613 5.444 40 0 JKABLO C[NH+](C)c1ccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2F)cc1 ZINC000224440437 569944657 /nfs/dbraw/zinc/94/46/57/569944657.db2.gz BIOOQQXQUZYMON-DQEYMECFSA-N 1 2 457.578 5.255 40 0 JKABLO C[NH+](C)c1ccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)cc1 ZINC000224472120 569945448 /nfs/dbraw/zinc/94/54/48/569945448.db2.gz YFAVOLUYUMVIQU-RPBOFIJWSA-N 1 2 474.033 5.769 40 0 JKABLO C[NH+](C)c1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)cc1 ZINC000224472160 569945470 /nfs/dbraw/zinc/94/54/70/569945470.db2.gz YFAVOLUYUMVIQU-LOSJGSFVSA-N 1 2 474.033 5.769 40 0 JKABLO CCOc1ccc(C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)cc1COc1ccc(OC)cc1 ZINC000224605034 569950353 /nfs/dbraw/zinc/95/03/53/569950353.db2.gz IDMAJFDYHQGAQA-JXMROGBWSA-N 1 2 486.612 5.144 40 0 JKABLO CCOc1ccc(C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)cc1CSc1ccccc1 ZINC000224658085 569952530 /nfs/dbraw/zinc/95/25/30/569952530.db2.gz RJSZYNRTXSDNBV-FMIVXFBMSA-N 1 2 472.654 5.849 40 0 JKABLO C[NH+](C)c1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2O)cc1 ZINC000224876752 569961355 /nfs/dbraw/zinc/96/13/55/569961355.db2.gz QRNZLDSLIPWKOV-LOSJGSFVSA-N 1 2 490.032 5.474 40 0 JKABLO Cc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2ccc([NH+](C)C)cc2)ccc1F ZINC000224906142 569962793 /nfs/dbraw/zinc/96/27/93/569962793.db2.gz AHXVNEOYQHKHKY-IZZNHLLZSA-N 1 2 471.605 5.563 40 0 JKABLO O=C(c1ccccc1-c1ncc(-c2ccc(Cl)cc2)o1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000224966359 569965695 /nfs/dbraw/zinc/96/56/95/569965695.db2.gz OBXQDMPCXOYYHV-RMKNXTFCSA-N 1 2 483.999 6.133 40 0 JKABLO O=C(Nc1ccccc1C(=O)c1ccccc1)C1CC[NH+](Cc2ccc(Cl)cc2F)CC1 ZINC000225588344 570007986 /nfs/dbraw/zinc/00/79/86/570007986.db2.gz STKWCWYSSSWPLQ-UHFFFAOYSA-N 1 2 450.941 5.561 40 0 JKABLO O=C1C[C@H](c2ccc(Br)cc2)[NH2+][C@@H](c2ccc(Br)cc2)[C@H]1c1ccccc1 ZINC000229925440 570042307 /nfs/dbraw/zinc/04/23/07/570042307.db2.gz GWXVHIWWZSJFAP-PUHATCMVSA-N 1 2 485.219 6.340 40 0 aggregator JKABLO CCCCOc1ccc(S(=O)(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1C ZINC000231429849 570046699 /nfs/dbraw/zinc/04/66/99/570046699.db2.gz CEMIMOSYBRDMBV-UHFFFAOYSA-N 1 2 478.658 5.270 40 0 JKABLO CCc1ccc(-n2c3nn(C[N@@H+]4CCC[C@H]5CCCC[C@H]54)c(=S)n3c3ccccc3c2=O)cc1 ZINC000245237059 570057119 /nfs/dbraw/zinc/05/71/19/570057119.db2.gz DLSIUUOBBCUDPG-NFBKMPQASA-N 1 2 473.646 5.344 40 0 JKABLO CCc1ccc(-n2c3nn(C[N@H+]4CCC[C@H]5CCCC[C@H]54)c(=S)n3c3ccccc3c2=O)cc1 ZINC000245237059 570057120 /nfs/dbraw/zinc/05/71/20/570057120.db2.gz DLSIUUOBBCUDPG-NFBKMPQASA-N 1 2 473.646 5.344 40 0 JKABLO C=C1[NH+]=C(SCC(=O)Nc2ccccc2)N[C@H](c2cccc(Cl)c2Cl)C1C(=O)OCC ZINC000408991594 570094219 /nfs/dbraw/zinc/09/42/19/570094219.db2.gz QQHSHHUFAOVZJI-HXUWFJFHSA-N 1 2 478.401 5.203 40 0 JKABLO C=C1[NH+]=C(SCc2cccc3ccccc32)N[C@H](c2cccc(Cl)c2Cl)C1C(=O)OCC ZINC000408993716 570094849 /nfs/dbraw/zinc/09/48/49/570094849.db2.gz XFAKHLLKIPUARN-HSZRJFAPSA-N 1 2 485.436 6.917 40 0 JKABLO Cc1cc(C)c2[nH]c(=O)c(C[N@@H+](C[C@H]3CCCO3)[C@H](c3nnnn3C3CCCCC3)C(C)C)cc2c1 ZINC000253500332 570101573 /nfs/dbraw/zinc/10/15/73/570101573.db2.gz CVXJVEFADUEDLH-RSXGOPAZSA-N 1 2 492.668 5.427 40 0 JKABLO Cc1cc(C)c2[nH]c(=O)c(C[N@H+](C[C@H]3CCCO3)[C@H](c3nnnn3C3CCCCC3)C(C)C)cc2c1 ZINC000253500332 570101574 /nfs/dbraw/zinc/10/15/74/570101574.db2.gz CVXJVEFADUEDLH-RSXGOPAZSA-N 1 2 492.668 5.427 40 0 JKABLO CCC(C)(C)n1nnnc1[C@@H](C(C)C)[N@@H+](Cc1cc2cc(C)c(C)cc2[nH]c1=O)C[C@H]1CCCO1 ZINC000253500330 570101597 /nfs/dbraw/zinc/10/15/97/570101597.db2.gz CRFBTRPWWUJKPV-ISKFKSNPSA-N 1 2 480.657 5.067 40 0 JKABLO CCC(C)(C)n1nnnc1[C@@H](C(C)C)[N@H+](Cc1cc2cc(C)c(C)cc2[nH]c1=O)C[C@H]1CCCO1 ZINC000253500330 570101598 /nfs/dbraw/zinc/10/15/98/570101598.db2.gz CRFBTRPWWUJKPV-ISKFKSNPSA-N 1 2 480.657 5.067 40 0 JKABLO CCC[C@H](c1nnnn1C1CCCC1)[N@@H+](Cc1cc2cc(C)c(C)cc2[nH]c1=O)C[C@H]1CCCO1 ZINC000253500469 570102012 /nfs/dbraw/zinc/10/20/12/570102012.db2.gz PXTTYGXMJMLZJK-ILBGXUMGSA-N 1 2 478.641 5.181 40 0 JKABLO CCC[C@H](c1nnnn1C1CCCC1)[N@H+](Cc1cc2cc(C)c(C)cc2[nH]c1=O)C[C@H]1CCCO1 ZINC000253500469 570102013 /nfs/dbraw/zinc/10/20/13/570102013.db2.gz PXTTYGXMJMLZJK-ILBGXUMGSA-N 1 2 478.641 5.181 40 0 JKABLO Cc1cc(C)c2[nH]c(=O)c(C[N@@H+](C[C@H]3CCCO3)[C@H](c3nnnn3C3CCCC3)C(C)C)cc2c1 ZINC000253500456 570102048 /nfs/dbraw/zinc/10/20/48/570102048.db2.gz PAPSEXXRFVPVCW-NOZRDPDXSA-N 1 2 478.641 5.037 40 0 JKABLO Cc1cc(C)c2[nH]c(=O)c(C[N@H+](C[C@H]3CCCO3)[C@H](c3nnnn3C3CCCC3)C(C)C)cc2c1 ZINC000253500456 570102049 /nfs/dbraw/zinc/10/20/49/570102049.db2.gz PAPSEXXRFVPVCW-NOZRDPDXSA-N 1 2 478.641 5.037 40 0 JKABLO CCC[C@@H](c1nnnn1C1CCCCC1)[N@@H+](Cc1cc2cc(C)c(C)cc2[nH]c1=O)C[C@H]1CCCO1 ZINC000253500593 570102140 /nfs/dbraw/zinc/10/21/40/570102140.db2.gz XVYMUPJACHGULJ-RSXGOPAZSA-N 1 2 492.668 5.571 40 0 JKABLO CCC[C@@H](c1nnnn1C1CCCCC1)[N@H+](Cc1cc2cc(C)c(C)cc2[nH]c1=O)C[C@H]1CCCO1 ZINC000253500593 570102141 /nfs/dbraw/zinc/10/21/41/570102141.db2.gz XVYMUPJACHGULJ-RSXGOPAZSA-N 1 2 492.668 5.571 40 0 JKABLO CCC[C@H](c1nnnn1C1CCCCC1)[N@@H+](Cc1cc2ccc(C)c(C)c2[nH]c1=O)C[C@H]1CCCO1 ZINC000253500581 570102158 /nfs/dbraw/zinc/10/21/58/570102158.db2.gz XORUSSZGAMGYAE-JWQCQUIFSA-N 1 2 492.668 5.571 40 0 JKABLO CCC[C@H](c1nnnn1C1CCCCC1)[N@H+](Cc1cc2ccc(C)c(C)c2[nH]c1=O)C[C@H]1CCCO1 ZINC000253500581 570102159 /nfs/dbraw/zinc/10/21/59/570102159.db2.gz XORUSSZGAMGYAE-JWQCQUIFSA-N 1 2 492.668 5.571 40 0 JKABLO CC[C@@H](c1nnnn1C1CCCCC1)[N@@H+](Cc1cc2c(C)cc(C)cc2[nH]c1=O)C[C@H]1CCCO1 ZINC000253500589 570102260 /nfs/dbraw/zinc/10/22/60/570102260.db2.gz XPVPEIPACYUJPX-RDGATRHJSA-N 1 2 478.641 5.181 40 0 JKABLO CC[C@@H](c1nnnn1C1CCCCC1)[N@H+](Cc1cc2c(C)cc(C)cc2[nH]c1=O)C[C@H]1CCCO1 ZINC000253500589 570102261 /nfs/dbraw/zinc/10/22/61/570102261.db2.gz XPVPEIPACYUJPX-RDGATRHJSA-N 1 2 478.641 5.181 40 0 JKABLO CC[C@@H](c1nnnn1C1CCCCC1)[N@@H+](Cc1cc2cc(C)cc(C)c2[nH]c1=O)C[C@H]1CCCO1 ZINC000253500603 570102355 /nfs/dbraw/zinc/10/23/55/570102355.db2.gz XXQLJADZXNWFNE-RPWUZVMVSA-N 1 2 478.641 5.181 40 0 JKABLO CC[C@@H](c1nnnn1C1CCCCC1)[N@H+](Cc1cc2cc(C)cc(C)c2[nH]c1=O)C[C@H]1CCCO1 ZINC000253500603 570102356 /nfs/dbraw/zinc/10/23/56/570102356.db2.gz XXQLJADZXNWFNE-RPWUZVMVSA-N 1 2 478.641 5.181 40 0 JKABLO CCC[C@@H](c1nnnn1C1CCCCC1)[N@@H+](Cc1cc2cc(C)ccc2[nH]c1=O)C[C@H]1CCCO1 ZINC000253500636 570102367 /nfs/dbraw/zinc/10/23/67/570102367.db2.gz ZXABNPZDTYUJKL-NOZRDPDXSA-N 1 2 478.641 5.263 40 0 JKABLO CCC[C@@H](c1nnnn1C1CCCCC1)[N@H+](Cc1cc2cc(C)ccc2[nH]c1=O)C[C@H]1CCCO1 ZINC000253500636 570102368 /nfs/dbraw/zinc/10/23/68/570102368.db2.gz ZXABNPZDTYUJKL-NOZRDPDXSA-N 1 2 478.641 5.263 40 0 JKABLO CC[C@H](c1nnnn1C1CCCCC1)[N@@H+](Cc1cc2cc(C)cc(C)c2[nH]c1=O)C[C@H]1CCCO1 ZINC000253500602 570102385 /nfs/dbraw/zinc/10/23/85/570102385.db2.gz XXQLJADZXNWFNE-DNQXCXABSA-N 1 2 478.641 5.181 40 0 JKABLO CC[C@H](c1nnnn1C1CCCCC1)[N@H+](Cc1cc2cc(C)cc(C)c2[nH]c1=O)C[C@H]1CCCO1 ZINC000253500602 570102386 /nfs/dbraw/zinc/10/23/86/570102386.db2.gz XXQLJADZXNWFNE-DNQXCXABSA-N 1 2 478.641 5.181 40 0 JKABLO Cc1ccc(C(=O)N2CCC[C@@H](Cc3cccn4cc[nH+]c34)CC2)cc1NCc1ccncc1 ZINC000257215845 570112894 /nfs/dbraw/zinc/11/28/94/570112894.db2.gz CRXKRZKDSRBQBA-JOCHJYFZSA-N 1 2 453.590 5.135 40 0 JKABLO O=C(C[C@]1(COc2ccc(Cl)cc2)C[N@H+](Cc2cccc(Cl)c2)CCO1)N1CCCCC1 ZINC000257218243 570113566 /nfs/dbraw/zinc/11/35/66/570113566.db2.gz DCJKAUKGWKXLLL-RUZDIDTESA-N 1 2 477.432 5.046 40 0 JKABLO O=C(C[C@]1(COc2ccc(Cl)cc2)C[N@@H+](Cc2cccc(Cl)c2)CCO1)N1CCCCC1 ZINC000257218243 570113567 /nfs/dbraw/zinc/11/35/67/570113567.db2.gz DCJKAUKGWKXLLL-RUZDIDTESA-N 1 2 477.432 5.046 40 0 JKABLO CC1(C)Oc2ccc(Cl)cc2[C@H]2O[C@H]3CCN(C(=O)c4cccc(Cn5cc[nH+]c5)c4)C[C@@H]3C[C@@H]21 ZINC000257239009 570119860 /nfs/dbraw/zinc/11/98/60/570119860.db2.gz HNNKITFMVAEIEP-OAFYVUHTSA-N 1 2 492.019 5.364 40 0 JKABLO CC1(C)Oc2ccccc2[C@H]2OCC3(CCN(C(=O)c4cccc(Cn5cc[nH+]c5)c4)CC3)C[C@@H]21 ZINC000257238941 570119890 /nfs/dbraw/zinc/11/98/90/570119890.db2.gz HNEXCAGJYIYRCU-AZGAKELHSA-N 1 2 471.601 5.103 40 0 JKABLO Cc1[nH]c2ccc(CCC(=O)N3CCC[C@H]3c3cccc(Cc4ccc(C(F)(F)F)cc4)n3)cc2[nH+]1 ZINC000257241368 570120507 /nfs/dbraw/zinc/12/05/07/570120507.db2.gz HXUONCNTFMDHKG-SANMLTNESA-N 1 2 492.545 6.172 40 0 JKABLO Cc1[nH]c2cc(CCC(=O)N3CCC[C@H]3c3cccc(Cc4ccc(C(F)(F)F)cc4)n3)ccc2[nH+]1 ZINC000257241368 570120508 /nfs/dbraw/zinc/12/05/08/570120508.db2.gz HXUONCNTFMDHKG-SANMLTNESA-N 1 2 492.545 6.172 40 0 JKABLO O=C(OCc1ccccc1)N1C[C@@H](O)[C@H]([N@H+](Cc2ccc(Cl)cc2)Cc2ccc(F)cc2F)C1 ZINC000257242180 570120768 /nfs/dbraw/zinc/12/07/68/570120768.db2.gz IBKNTVJBLRNNOF-JWQCQUIFSA-N 1 2 486.946 5.002 40 0 JKABLO O=C(OCc1ccccc1)N1C[C@@H](O)[C@H]([N@@H+](Cc2ccc(Cl)cc2)Cc2ccc(F)cc2F)C1 ZINC000257242180 570120769 /nfs/dbraw/zinc/12/07/69/570120769.db2.gz IBKNTVJBLRNNOF-JWQCQUIFSA-N 1 2 486.946 5.002 40 0 JKABLO O=C(OCc1ccccc1)N1C[C@@H](O)[C@H]([N@H+](Cc2ccc(Cl)cc2)Cc2ccccc2Cl)C1 ZINC000257245543 570121720 /nfs/dbraw/zinc/12/17/20/570121720.db2.gz IQAOKSLCJDNDHA-JWQCQUIFSA-N 1 2 485.411 5.378 40 0 JKABLO O=C(OCc1ccccc1)N1C[C@@H](O)[C@H]([N@@H+](Cc2ccc(Cl)cc2)Cc2ccccc2Cl)C1 ZINC000257245543 570121722 /nfs/dbraw/zinc/12/17/22/570121722.db2.gz IQAOKSLCJDNDHA-JWQCQUIFSA-N 1 2 485.411 5.378 40 0 JKABLO Cc1cc(Oc2ccc(F)cc2)nc([C@@H]2CCCCN2C(=O)c2cccc(Cn3cc[nH+]c3)c2)n1 ZINC000257257839 570125553 /nfs/dbraw/zinc/12/55/53/570125553.db2.gz KRHOEWFRXLJFMB-DEOSSOPVSA-N 1 2 471.536 5.329 40 0 JKABLO Cc1[nH]c2ccc(CCC(=O)N3CCCC[C@H]3c3n[nH]cc3-c3ccc(C(F)(F)F)cc3)cc2[nH+]1 ZINC000257267510 570128840 /nfs/dbraw/zinc/12/88/40/570128840.db2.gz MHPKGAQEZMREFW-QHCPKHFHSA-N 1 2 481.522 5.967 40 0 JKABLO Cc1[nH]c2cc(CCC(=O)N3CCCC[C@H]3c3n[nH]cc3-c3ccc(C(F)(F)F)cc3)ccc2[nH+]1 ZINC000257267510 570128842 /nfs/dbraw/zinc/12/88/42/570128842.db2.gz MHPKGAQEZMREFW-QHCPKHFHSA-N 1 2 481.522 5.967 40 0 JKABLO COc1cc2c(cc1NC(=O)C[N@@H+]1CC[C@](C)(O)[C@@H](Oc3cccc(Cl)c3)C1)oc1ccccc12 ZINC000257272420 570130353 /nfs/dbraw/zinc/13/03/53/570130353.db2.gz NCINMNRXYLWVIE-BDYUSTAISA-N 1 2 494.975 5.091 40 0 JKABLO COc1cc2c(cc1NC(=O)C[N@H+]1CC[C@](C)(O)[C@@H](Oc3cccc(Cl)c3)C1)oc1ccccc12 ZINC000257272420 570130354 /nfs/dbraw/zinc/13/03/54/570130354.db2.gz NCINMNRXYLWVIE-BDYUSTAISA-N 1 2 494.975 5.091 40 0 JKABLO O=C(c1ccccc1Cn1cc[nH+]c1)N1CCC[C@@H]1c1cncc(Oc2ccc(Cl)cc2)n1 ZINC000257274643 570131016 /nfs/dbraw/zinc/13/10/16/570131016.db2.gz NLYRZFKLEBVXHK-HSZRJFAPSA-N 1 2 459.937 5.144 40 0 JKABLO O=C(C[N@@H+]1C[C@H](OCc2ccccc2)[C@]2(CCCO2)C1)N1c2ccccc2Sc2ccccc21 ZINC000257277824 570132032 /nfs/dbraw/zinc/13/20/32/570132032.db2.gz NZONICNMBORMQO-XCZPVHLTSA-N 1 2 472.610 5.266 40 0 JKABLO O=C(C[N@H+]1C[C@H](OCc2ccccc2)[C@]2(CCCO2)C1)N1c2ccccc2Sc2ccccc21 ZINC000257277824 570132033 /nfs/dbraw/zinc/13/20/33/570132033.db2.gz NZONICNMBORMQO-XCZPVHLTSA-N 1 2 472.610 5.266 40 0 JKABLO O=C(c1cccc(Cn2cc[nH+]c2)c1)N1CCCC[C@H]1c1n[nH]cc1-c1ccc(C(F)(F)F)cc1 ZINC000257289047 570135242 /nfs/dbraw/zinc/13/52/42/570135242.db2.gz PWSYONMJBMDPKB-QHCPKHFHSA-N 1 2 479.506 5.708 40 0 JKABLO Cc1cc(Oc2ccccc2F)nc([C@@H]2CCCCN2C(=O)c2cccc(Cn3cc[nH+]c3)c2)n1 ZINC000257291390 570135960 /nfs/dbraw/zinc/13/59/60/570135960.db2.gz QGTFTNDKFGUHLM-QHCPKHFHSA-N 1 2 471.536 5.329 40 0 JKABLO Cc1ccc(Oc2cc(C)nc([C@@H]3CCCCN3C(=O)c3cccc(Cn4cc[nH+]c4)c3)n2)cc1 ZINC000257305734 570140084 /nfs/dbraw/zinc/14/00/84/570140084.db2.gz SRHGGHJPYTUTEB-VWLOTQADSA-N 1 2 467.573 5.498 40 0 JKABLO Cc1[nH+]c2ccccn2c1CC(=O)N1CCC[C@]2(CO[C@@H](c3ccc(F)cc3)[C@H](C(C)C)C2)C1 ZINC000257314143 570142675 /nfs/dbraw/zinc/14/26/75/570142675.db2.gz UVMSMIXGEUDKDM-MXSCXNJPSA-N 1 2 463.597 5.367 40 0 JKABLO Cc1[nH+]c2ccccc2n1CCCC(=O)N1CCCC[C@@H]1c1nc(N)ncc1-c1ccc(Cl)cc1 ZINC000257316625 570143451 /nfs/dbraw/zinc/14/34/51/570143451.db2.gz VGJDLOACSLRKBH-XMMPIXPASA-N 1 2 489.023 5.571 40 0 JKABLO O=C(c1cccc(Cn2cc[nH+]c2)c1)N1CCC[C@@H](c2cccc(Oc3cccc(F)c3)n2)C1 ZINC000257317474 570143779 /nfs/dbraw/zinc/14/37/79/570143779.db2.gz VJWNGAYNORILGF-JOCHJYFZSA-N 1 2 456.521 5.278 40 0 JKABLO O=C(c1ccccc1Cn1cc[nH+]c1)N1CCC[C@@H](c2cccc(Cc3ccc(F)cc3)n2)C1 ZINC000257317887 570143800 /nfs/dbraw/zinc/14/38/00/570143800.db2.gz VLPDYRKLNXXSGV-HSZRJFAPSA-N 1 2 454.549 5.076 40 0 JKABLO Cc1sc(NC(=O)C[N@@H+]2CC[C@@]3(CCCO3)[C@@H](OCc3ccccc3)C2)nc1-c1ccc(F)cc1 ZINC000257334045 570148716 /nfs/dbraw/zinc/14/87/16/570148716.db2.gz YEIGJCZCWLXLGX-HOFKKMOUSA-N 1 2 495.620 5.036 40 0 JKABLO Cc1sc(NC(=O)C[N@H+]2CC[C@@]3(CCCO3)[C@@H](OCc3ccccc3)C2)nc1-c1ccc(F)cc1 ZINC000257334045 570148717 /nfs/dbraw/zinc/14/87/17/570148717.db2.gz YEIGJCZCWLXLGX-HOFKKMOUSA-N 1 2 495.620 5.036 40 0 JKABLO CCCCC[C@]1(O)CC[N@H+](CC(=O)Nc2ccc(OCCCC)cc2)C[C@@H]1Oc1ccccc1 ZINC000257342988 570151224 /nfs/dbraw/zinc/15/12/24/570151224.db2.gz ZQXGFXMNFKYGJG-XCZPVHLTSA-N 1 2 468.638 5.269 40 0 JKABLO CCCCC[C@]1(O)CC[N@@H+](CC(=O)Nc2ccc(OCCCC)cc2)C[C@@H]1Oc1ccccc1 ZINC000257342988 570151225 /nfs/dbraw/zinc/15/12/25/570151225.db2.gz ZQXGFXMNFKYGJG-XCZPVHLTSA-N 1 2 468.638 5.269 40 0 JKABLO CCCC1=C(C(=O)OCC)[C@@H](c2ccc(OCc3ccc(Cl)cc3)c(OCC)c2)N2NC=NC2=[NH+]1 ZINC000409182496 570159903 /nfs/dbraw/zinc/15/99/03/570159903.db2.gz LPLKFLTXSWJGEO-XMMPIXPASA-N 1 2 496.995 5.194 40 0 JKABLO CCCC1=C(C(=O)OCC)[C@@H](c2ccc(OCc3ccc(Cl)cc3)c(OCC)c2)N2NC=[NH+]C2=N1 ZINC000409182496 570159904 /nfs/dbraw/zinc/15/99/04/570159904.db2.gz LPLKFLTXSWJGEO-XMMPIXPASA-N 1 2 496.995 5.194 40 0 JKABLO CCCC(=O)N1c2ccccc2-c2c(=O)[nH]c(SC)n[n+]2[C@H]1c1ccc(-c2ccc(Cl)cc2)o1 ZINC000261362028 570167442 /nfs/dbraw/zinc/16/74/42/570167442.db2.gz BVEUAFVFTXQGOA-DEOSSOPVSA-O 1 2 493.996 5.466 40 0 JKABLO CCCCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N[C@@H]2c1cc(Cl)c(O)c(OCC)c1 ZINC000261362834 570167725 /nfs/dbraw/zinc/16/77/25/570167725.db2.gz MQBPKRSPWRAUOE-NRFANRHFSA-O 1 2 474.006 5.149 40 0 JKABLO CCCCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@@H]2c1ccc(OCCC)cc1 ZINC000261363074 570167960 /nfs/dbraw/zinc/16/79/60/570167960.db2.gz FUQBWPGXGXBBMY-VWLOTQADSA-O 1 2 479.626 5.121 40 0 JKABLO COc1cc([C@H]2Nc3ccccc3-c3c(=O)[nH]c(SCc4ccc(C)cc4)n[n+]32)c(Cl)cc1O ZINC000261363590 570168008 /nfs/dbraw/zinc/16/80/08/570168008.db2.gz HQYRUHGMYXDCKF-QHCPKHFHSA-O 1 2 493.996 5.077 40 0 JKABLO CCCCCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@H]2c1sccc1C ZINC000261364098 570168426 /nfs/dbraw/zinc/16/84/26/570168426.db2.gz JGDDLJRLNQKCOM-JOCHJYFZSA-O 1 2 455.629 5.092 40 0 JKABLO CCCCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@@H]2C=Cc1cccs1 ZINC000261364749 570168693 /nfs/dbraw/zinc/16/86/93/570168693.db2.gz NLIFWZLWZRILFI-SJFMBGHLSA-O 1 2 453.613 5.059 40 0 JKABLO Cc1ccc(CSc2n[n+]3c(c(=O)[nH]2)-c2ccccc2N[C@H]3c2cccc(O)c2Cl)cc1 ZINC000261365037 570168964 /nfs/dbraw/zinc/16/89/64/570168964.db2.gz POMBUDGUHBBBGV-JOCHJYFZSA-O 1 2 463.970 5.069 40 0 JKABLO CSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(=O)c1ccccc1)[C@@H]2c1cccc2ccccc21 ZINC000261365756 570169206 /nfs/dbraw/zinc/16/92/06/570169206.db2.gz VCXWLLLVZOSBLI-SANMLTNESA-O 1 2 477.569 5.219 40 0 JKABLO CCC(=O)N1c2ccccc2-c2c(=O)[nH]c(SC)n[n+]2[C@H]1c1ccc(-c2cccc(Cl)c2)o1 ZINC000261365658 570169277 /nfs/dbraw/zinc/16/92/77/570169277.db2.gz ULDVRKURVTTXHV-QHCPKHFHSA-O 1 2 479.969 5.076 40 0 JKABLO CCOc1cc([C@H]2Nc3ccccc3-c3c(=O)[nH]c(SCc4ccc(Cl)cc4)n[n+]32)ccc1O ZINC000261366003 570169339 /nfs/dbraw/zinc/16/93/39/570169339.db2.gz WWOZYRVOLLMBBS-QHCPKHFHSA-O 1 2 493.996 5.159 40 0 JKABLO CCCCCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@@H]2c1ccccc1Cl ZINC000261365982 570169374 /nfs/dbraw/zinc/16/93/74/570169374.db2.gz WRJVLOWGRRWKHX-QHCPKHFHSA-O 1 2 470.018 5.376 40 0 JKABLO CCCCCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@H]2c1ccccc1Cl ZINC000261365981 570169411 /nfs/dbraw/zinc/16/94/11/570169411.db2.gz WRJVLOWGRRWKHX-HSZRJFAPSA-O 1 2 470.018 5.376 40 0 JKABLO CCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(=O)CC)[C@H]2c1ccc(-c2ccc(Cl)cc2)o1 ZINC000261365957 570169457 /nfs/dbraw/zinc/16/94/57/570169457.db2.gz WNNHEAHIHCMXEN-XMMPIXPASA-O 1 2 493.996 5.466 40 0 JKABLO CCCCCCSc1n[n+]2c(c(=O)[nH]1)-c1cc(Br)ccc1N[C@@H]2c1cccc(O)c1 ZINC000261366402 570169589 /nfs/dbraw/zinc/16/95/89/570169589.db2.gz ZMOYRDYJQRHKBI-FQEVSTJZSA-O 1 2 488.431 5.250 40 0 JKABLO CCNc1nc(Nc2ccc(OC)c(C(F)(F)F)c2)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000328956962 570179234 /nfs/dbraw/zinc/17/92/34/570179234.db2.gz AHMXCZCQRMDBCY-UHFFFAOYSA-N 1 2 472.389 5.089 40 0 JKABLO CC[C@@H](C)Nc1nc(Nc2ccc(Br)c(C(F)(F)F)c2)cc(-c2ccccc2)[nH+]1 ZINC000328963760 570179506 /nfs/dbraw/zinc/17/95/06/570179506.db2.gz BQNSTSKBMBXQFA-CYBMUJFWSA-N 1 2 465.317 5.723 40 0 JKABLO CC(C)(C)Nc1nc(NCc2ccc(F)c(F)c2)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000328959358 570179458 /nfs/dbraw/zinc/17/94/58/570179458.db2.gz ATNHYHBLKWQBNZ-UHFFFAOYSA-N 1 2 452.427 6.143 40 0 JKABLO CC(C)Nc1nc(NCc2ccccc2Br)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000328963479 570179581 /nfs/dbraw/zinc/17/95/81/570179581.db2.gz BORGKMVNTUFTRE-UHFFFAOYSA-N 1 2 481.316 5.081 40 0 JKABLO CC(C)[C@H](CO)Nc1nc(Nc2ccc(Cl)c(C(F)(F)F)c2)cc(-c2ccccc2)[nH+]1 ZINC000328965240 570179716 /nfs/dbraw/zinc/17/97/16/570179716.db2.gz CBLMARAWDVARAC-IBGZPJMESA-N 1 2 450.892 5.988 40 0 JKABLO FC(F)(F)Oc1cccc(-c2cc(NCc3ccc(Cl)cc3)nc(NC3CCCCC3)[nH+]2)c1 ZINC000328970783 570179938 /nfs/dbraw/zinc/17/99/38/570179938.db2.gz DMLOVOBPRBVXTL-UHFFFAOYSA-N 1 2 476.930 5.896 40 0 JKABLO FC(F)(F)c1cc(Nc2cc(-c3ccccc3)[nH+]c(NC3CCCC3)n2)ccc1Br ZINC000328973165 570180181 /nfs/dbraw/zinc/18/01/81/570180181.db2.gz DZPHEKAKVZPDIL-UHFFFAOYSA-N 1 2 477.328 5.867 40 0 JKABLO CC(C)[C@@H](CO)Nc1nc(Nc2ccc(C(F)(F)F)cc2Br)cc(-c2ccccc2)[nH+]1 ZINC000328977365 570180266 /nfs/dbraw/zinc/18/02/66/570180266.db2.gz FTNJPIJBMDHKBW-LJQANCHMSA-N 1 2 495.343 6.097 40 0 JKABLO CCNc1nc(Nc2ccc(OC(F)(F)F)cc2C)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000328981171 570180440 /nfs/dbraw/zinc/18/04/40/570180440.db2.gz GRTIPVXJJRSTJS-UHFFFAOYSA-N 1 2 472.389 6.425 40 0 JKABLO CC(C)(C)Nc1nc(Nc2ccc(C(F)(F)F)cc2Br)cc(-c2ccccc2)[nH+]1 ZINC000328990865 570180840 /nfs/dbraw/zinc/18/08/40/570180840.db2.gz IPKVFCSXLVVBSX-UHFFFAOYSA-N 1 2 465.317 6.879 40 0 JKABLO CC[C@@H](C)Nc1nc(NCc2ccccc2Cl)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000329004004 570181219 /nfs/dbraw/zinc/18/12/19/570181219.db2.gz KQKSMWJORGDMAW-CQSZACIVSA-N 1 2 450.892 5.362 40 0 JKABLO CC[C@H](C)Nc1nc(NCc2ccccc2Cl)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000329004003 570181257 /nfs/dbraw/zinc/18/12/57/570181257.db2.gz KQKSMWJORGDMAW-AWEZNQCLSA-N 1 2 450.892 5.362 40 0 JKABLO CC[C@@H](C)Nc1nc(NCc2cccc(Cl)c2)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000329008122 570181354 /nfs/dbraw/zinc/18/13/54/570181354.db2.gz LPQIPXLRIZVBOW-CQSZACIVSA-N 1 2 450.892 5.362 40 0 JKABLO CC[C@H](C)Nc1nc(NCc2ccc(Br)cc2)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000329007577 570181383 /nfs/dbraw/zinc/18/13/83/570181383.db2.gz LLBZTRAODHIESK-AWEZNQCLSA-N 1 2 495.343 5.471 40 0 JKABLO CC[C@H](C)Nc1nc(NCc2ccc(Cl)cc2)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000329017424 570181797 /nfs/dbraw/zinc/18/17/97/570181797.db2.gz NLVSPNIPSBMRMM-AWEZNQCLSA-N 1 2 450.892 5.362 40 0 JKABLO Clc1cccc(Nc2cc(N3CCc4cc(Br)ccc4C3)[nH+]c(C3CC3)n2)c1 ZINC000329018390 570181930 /nfs/dbraw/zinc/18/19/30/570181930.db2.gz NRHGACKOPOWONX-UHFFFAOYSA-N 1 2 455.787 6.076 40 0 JKABLO Clc1cccc(Nc2cc(N3CCc4cc(Br)ccc4C3)nc(C3CC3)[nH+]2)c1 ZINC000329018390 570181931 /nfs/dbraw/zinc/18/19/31/570181931.db2.gz NRHGACKOPOWONX-UHFFFAOYSA-N 1 2 455.787 6.076 40 0 JKABLO Fc1ccc(CNc2cc(-c3cccc(OC(F)(F)F)c3)[nH+]c(NC3CCCCC3)n2)cc1F ZINC000329032262 570182418 /nfs/dbraw/zinc/18/24/18/570182418.db2.gz QOBATSGNWUOMTM-UHFFFAOYSA-N 1 2 478.465 5.521 40 0 JKABLO CCNc1nc(Nc2ccc(Br)c(C)c2)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000329032792 570182515 /nfs/dbraw/zinc/18/25/15/570182515.db2.gz QPYPECKMJBGPKL-UHFFFAOYSA-N 1 2 467.289 6.289 40 0 JKABLO CC(C)[C@@H](CO)Nc1nc(NCc2cccc(Cl)c2)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000329036411 570182641 /nfs/dbraw/zinc/18/26/41/570182641.db2.gz RIOVSMCLGZXJTP-HXUWFJFHSA-N 1 2 480.918 5.737 40 0 JKABLO Cc1cc(Nc2cc(-c3cccc(OC(F)(F)F)c3)[nH+]c(NCCCO)n2)ccc1Br ZINC000329049007 570182997 /nfs/dbraw/zinc/18/29/97/570182997.db2.gz ULKZSPLMCGSITQ-UHFFFAOYSA-N 1 2 497.315 5.651 40 0 JKABLO FC(F)(F)c1ccc(Nc2cc(-c3ccccc3)[nH+]c(NC3CCCC3)n2)c(C(F)(F)F)c1 ZINC000329056085 570183148 /nfs/dbraw/zinc/18/31/48/570183148.db2.gz VQSUZTXNQWSOEU-UHFFFAOYSA-N 1 2 466.429 6.123 40 0 JKABLO CC(C)[C@H](CO)Nc1nc(Nc2ccc(C(F)(F)F)cc2C(F)(F)F)cc(-c2ccccc2)[nH+]1 ZINC000329052528 570183157 /nfs/dbraw/zinc/18/31/57/570183157.db2.gz VCBDIMOINUBQCT-IBGZPJMESA-N 1 2 484.444 6.354 40 0 JKABLO Cc1ccc(CNc2cc(-c3cccc(OC(F)(F)F)c3)[nH+]c(NC3CCCCC3)n2)cc1 ZINC000329056123 570183189 /nfs/dbraw/zinc/18/31/89/570183189.db2.gz VRFQSRNVZCMYHJ-UHFFFAOYSA-N 1 2 456.512 5.551 40 0 JKABLO CC(C)[C@H](CO)Nc1nc(NCc2ccccc2Cl)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000329066587 570183734 /nfs/dbraw/zinc/18/37/34/570183734.db2.gz YBKYZPDHQKKZIS-FQEVSTJZSA-N 1 2 480.918 5.737 40 0 JKABLO COC(=O)c1c(NC(=O)c2ccc(CSc3ccccc3)cc2)sc2c1CC[N@H+](C)C2 ZINC000408577348 570206144 /nfs/dbraw/zinc/20/61/44/570206144.db2.gz ZRKTWZIXRMBSSC-UHFFFAOYSA-N 1 2 452.601 5.067 40 0 JKABLO COC(=O)c1c(NC(=O)c2ccc(CSc3ccccc3)cc2)sc2c1CC[N@@H+](C)C2 ZINC000408577348 570206145 /nfs/dbraw/zinc/20/61/45/570206145.db2.gz ZRKTWZIXRMBSSC-UHFFFAOYSA-N 1 2 452.601 5.067 40 0 JKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=O)CSc4ccccc4)cc3n2)c(C)c1 ZINC000020611074 195184756 /nfs/dbraw/zinc/18/47/56/195184756.db2.gz PMINHLRYVYJZTI-UHFFFAOYSA-N 1 2 459.619 5.614 40 0 JKABLO CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@H](c2ccc(C(C)C)cc2)n2c3ccccc3[nH+]c2N1 ZINC000020797399 195225998 /nfs/dbraw/zinc/22/59/98/195225998.db2.gz KQVSMCYCYBTZSA-VWLOTQADSA-N 1 2 456.977 6.741 40 0 JKABLO CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@@H](c2cccc(Br)c2)n2c3ccccc3[nH+]c2N1 ZINC000020797473 195226018 /nfs/dbraw/zinc/22/60/18/195226018.db2.gz YOGAAMJJXVRUAK-JOCHJYFZSA-N 1 2 493.792 6.380 40 0 JKABLO COc1ccc([C@H]2C(C(=O)Nc3ccc(Cl)cc3)=C(C)Nc3[nH+]c4ccccc4n32)c(OC)c1 ZINC000020797544 195226028 /nfs/dbraw/zinc/22/60/28/195226028.db2.gz SLRBYJOOXZXTHT-DEOSSOPVSA-N 1 2 474.948 5.635 40 0 JKABLO CCOc1ccc([C@H]2C(C(=O)Nc3ccc(Cl)cc3)=C(C)Nc3[nH+]c4ccccc4n32)cc1 ZINC000020797427 195226124 /nfs/dbraw/zinc/22/61/24/195226124.db2.gz PXNUGISTQCRCJS-DEOSSOPVSA-N 1 2 458.949 6.016 40 0 JKABLO CSc1ccc([C@@H]2C(C(=O)Nc3cccc(Cl)c3)=C(C)Nc3[nH+]c4ccccc4n32)cc1 ZINC000020970414 195257623 /nfs/dbraw/zinc/25/76/23/195257623.db2.gz YNNOBZPJVYRKNK-HSZRJFAPSA-N 1 2 460.990 6.339 40 0 JKABLO CCc1ccc(NC(=O)C2=C(C)Nc3[nH+]c4ccccc4n3[C@@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000020970217 195257740 /nfs/dbraw/zinc/25/77/40/195257740.db2.gz SRFFTFBLSHASIN-AREMUKBSSA-N 1 2 468.557 5.544 40 0 JKABLO CCc1ccc(NC(=O)C2=C(C)Nc3[nH+]c4ccccc4n3[C@H]2c2ccc(O)c(OC)c2)cc1 ZINC000020970228 195257803 /nfs/dbraw/zinc/25/78/03/195257803.db2.gz BIZMYHZASSIXMU-VWLOTQADSA-N 1 2 454.530 5.241 40 0 JKABLO CC1=C(C(=O)Nc2ccccc2Cl)[C@H](c2ccc(C(C)C)cc2)n2c3ccccc3[nH+]c2N1 ZINC000021005504 195265732 /nfs/dbraw/zinc/26/57/32/195265732.db2.gz JTHRSXOLMDNQTO-VWLOTQADSA-N 1 2 456.977 6.741 40 0 JKABLO CC[N@H+](Cc1ccccc1)[C@@H](c1nnnn1C1CCCCC1)c1cc2cc(C)cc(C)c2[nH]c1=O ZINC000057589733 195351877 /nfs/dbraw/zinc/35/18/77/195351877.db2.gz DMULUOALXXKQDC-AREMUKBSSA-N 1 2 470.621 5.248 40 0 JKABLO CC[N@@H+](Cc1ccccc1)[C@@H](c1nnnn1C1CCCCC1)c1cc2cc(C)cc(C)c2[nH]c1=O ZINC000057589733 195351879 /nfs/dbraw/zinc/35/18/79/195351879.db2.gz DMULUOALXXKQDC-AREMUKBSSA-N 1 2 470.621 5.248 40 0 JKABLO CCc1ccc2[nH]c(=O)c(C[N@@H+](Cc3ccc(C)cc3)[C@H](CC)c3nnnn3C(C)(C)C)cc2c1 ZINC000057640648 195354210 /nfs/dbraw/zinc/35/42/10/195354210.db2.gz OBCSILAVKKLLTP-RUZDIDTESA-N 1 2 472.637 5.294 40 0 JKABLO CCc1ccc2[nH]c(=O)c(C[N@H+](Cc3ccc(C)cc3)[C@H](CC)c3nnnn3C(C)(C)C)cc2c1 ZINC000057640648 195354212 /nfs/dbraw/zinc/35/42/12/195354212.db2.gz OBCSILAVKKLLTP-RUZDIDTESA-N 1 2 472.637 5.294 40 0 JKABLO CCc1ccc2[nH]c(=O)c(C[N@@H+](Cc3ccc(C)cc3)[C@H](CC)c3nnnn3C3CCCCC3)cc2c1 ZINC000057640673 195354475 /nfs/dbraw/zinc/35/44/75/195354475.db2.gz YPYADHHCLUWNAV-MUUNZHRXSA-N 1 2 498.675 6.044 40 0 JKABLO CCc1ccc2[nH]c(=O)c(C[N@H+](Cc3ccc(C)cc3)[C@H](CC)c3nnnn3C3CCCCC3)cc2c1 ZINC000057640673 195354477 /nfs/dbraw/zinc/35/44/77/195354477.db2.gz YPYADHHCLUWNAV-MUUNZHRXSA-N 1 2 498.675 6.044 40 0 JKABLO CC[C@@H](c1nnnn1C1CCCCC1)[N@H+](Cc1cccs1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000057640747 195354493 /nfs/dbraw/zinc/35/44/93/195354493.db2.gz YOMZAIDIQKFUPG-DEOSSOPVSA-N 1 2 476.650 5.543 40 0 JKABLO CC[C@@H](c1nnnn1C1CCCCC1)[N@@H+](Cc1cccs1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000057640747 195354496 /nfs/dbraw/zinc/35/44/96/195354496.db2.gz YOMZAIDIQKFUPG-DEOSSOPVSA-N 1 2 476.650 5.543 40 0 JKABLO CC[C@@H](c1nnnn1C1CCCCC1)[N@H+](Cc1ccc(C)cc1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000057641555 195355321 /nfs/dbraw/zinc/35/53/21/195355321.db2.gz GHBALCAXRFTHTP-NDEPHWFRSA-N 1 2 498.675 6.099 40 0 JKABLO CC[C@@H](c1nnnn1C1CCCCC1)[N@@H+](Cc1ccc(C)cc1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000057641555 195355324 /nfs/dbraw/zinc/35/53/24/195355324.db2.gz GHBALCAXRFTHTP-NDEPHWFRSA-N 1 2 498.675 6.099 40 0 JKABLO CC[C@@H](c1nnnn1C1CCCC1)[N@H+](Cc1ccccc1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000057641445 195355417 /nfs/dbraw/zinc/35/54/17/195355417.db2.gz NGTYLXGMXIZCBG-SANMLTNESA-N 1 2 470.621 5.400 40 0 JKABLO CC[C@@H](c1nnnn1C1CCCC1)[N@@H+](Cc1ccccc1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000057641445 195355419 /nfs/dbraw/zinc/35/54/19/195355419.db2.gz NGTYLXGMXIZCBG-SANMLTNESA-N 1 2 470.621 5.400 40 0 JKABLO CC[C@H](c1nnnn1Cc1ccccc1)[N@H+](Cc1ccccc1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000057641516 195355451 /nfs/dbraw/zinc/35/54/51/195355451.db2.gz XKURWBNZRMOKAV-MUUNZHRXSA-N 1 2 492.627 5.333 40 0 JKABLO CC[C@H](c1nnnn1Cc1ccccc1)[N@@H+](Cc1ccccc1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000057641516 195355454 /nfs/dbraw/zinc/35/54/54/195355454.db2.gz XKURWBNZRMOKAV-MUUNZHRXSA-N 1 2 492.627 5.333 40 0 JKABLO CC[C@@H](c1nnnn1Cc1ccccc1)[N@H+](Cc1ccccc1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000057641514 195355614 /nfs/dbraw/zinc/35/56/14/195355614.db2.gz XKURWBNZRMOKAV-NDEPHWFRSA-N 1 2 492.627 5.333 40 0 JKABLO CC[C@@H](c1nnnn1Cc1ccccc1)[N@@H+](Cc1ccccc1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000057641514 195355617 /nfs/dbraw/zinc/35/56/17/195355617.db2.gz XKURWBNZRMOKAV-NDEPHWFRSA-N 1 2 492.627 5.333 40 0 JKABLO CC[C@@H](c1nnnn1C1CCCCC1)[N@H+](Cc1ccc(C)cc1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000057641862 195355813 /nfs/dbraw/zinc/35/58/13/195355813.db2.gz QBDFALKBHAJNML-NDEPHWFRSA-N 1 2 498.675 6.099 40 0 JKABLO CC[C@@H](c1nnnn1C1CCCCC1)[N@@H+](Cc1ccc(C)cc1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000057641862 195355814 /nfs/dbraw/zinc/35/58/14/195355814.db2.gz QBDFALKBHAJNML-NDEPHWFRSA-N 1 2 498.675 6.099 40 0 JKABLO CC[C@H](c1nnnn1C1CCCCC1)[N@H+](Cc1cccs1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000057641774 195355853 /nfs/dbraw/zinc/35/58/53/195355853.db2.gz LGKICKJPJCNGCW-RUZDIDTESA-N 1 2 490.677 5.852 40 0 JKABLO CC[C@H](c1nnnn1C1CCCCC1)[N@@H+](Cc1cccs1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000057641774 195355855 /nfs/dbraw/zinc/35/58/55/195355855.db2.gz LGKICKJPJCNGCW-RUZDIDTESA-N 1 2 490.677 5.852 40 0 JKABLO CC[C@H](c1nnnn1C1CCCC1)[N@H+](Cc1ccc(C)cc1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000057641854 195355924 /nfs/dbraw/zinc/35/59/24/195355924.db2.gz AAYGXCDOKXESRU-HHHXNRCGSA-N 1 2 484.648 5.708 40 0 JKABLO CC[C@H](c1nnnn1C1CCCC1)[N@@H+](Cc1ccc(C)cc1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000057641854 195355927 /nfs/dbraw/zinc/35/59/27/195355927.db2.gz AAYGXCDOKXESRU-HHHXNRCGSA-N 1 2 484.648 5.708 40 0 JKABLO CC[C@H](c1nnnn1C(C)(C)C)[N@H+](Cc1ccc(C)cc1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000057641830 195356017 /nfs/dbraw/zinc/35/60/17/195356017.db2.gz OWVSPIJPVJDNAF-RUZDIDTESA-N 1 2 472.637 5.348 40 0 JKABLO CC[C@H](c1nnnn1C(C)(C)C)[N@@H+](Cc1ccc(C)cc1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000057641830 195356019 /nfs/dbraw/zinc/35/60/19/195356019.db2.gz OWVSPIJPVJDNAF-RUZDIDTESA-N 1 2 472.637 5.348 40 0 JKABLO CC[C@H](c1nnnn1C1CCCCC1)[N@H+](Cc1ccccc1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000057641717 195356023 /nfs/dbraw/zinc/35/60/23/195356023.db2.gz CGIVCAUWNWZGMU-HHHXNRCGSA-N 1 2 484.648 5.790 40 0 JKABLO CC[C@H](c1nnnn1C1CCCCC1)[N@@H+](Cc1ccccc1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000057641717 195356025 /nfs/dbraw/zinc/35/60/25/195356025.db2.gz CGIVCAUWNWZGMU-HHHXNRCGSA-N 1 2 484.648 5.790 40 0 JKABLO CC[C@@H](c1nnnn1C1CCCC1)[N@H+](Cc1ccccc1)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000057642174 195356247 /nfs/dbraw/zinc/35/62/47/195356247.db2.gz CSUTYHHBKHKUCC-VWLOTQADSA-N 1 2 470.621 5.400 40 0 JKABLO CC[C@@H](c1nnnn1C1CCCC1)[N@@H+](Cc1ccccc1)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000057642174 195356249 /nfs/dbraw/zinc/35/62/49/195356249.db2.gz CSUTYHHBKHKUCC-VWLOTQADSA-N 1 2 470.621 5.400 40 0 JKABLO CC[C@@H](c1nnnn1C1CCCCC1)[N@H+](Cc1ccccc1)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000057642199 195356290 /nfs/dbraw/zinc/35/62/90/195356290.db2.gz RDUMLUWFRBBEIN-SANMLTNESA-N 1 2 484.648 5.790 40 0 JKABLO CC[C@@H](c1nnnn1C1CCCCC1)[N@@H+](Cc1ccccc1)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000057642199 195356293 /nfs/dbraw/zinc/35/62/93/195356293.db2.gz RDUMLUWFRBBEIN-SANMLTNESA-N 1 2 484.648 5.790 40 0 JKABLO CC[C@@H](c1nnnn1C(C)(C)C)[N@H+](Cc1ccc(C)cc1)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000057642317 195356327 /nfs/dbraw/zinc/35/63/27/195356327.db2.gz LDZFDUPXHSPJNN-DEOSSOPVSA-N 1 2 472.637 5.348 40 0 JKABLO CC[C@@H](c1nnnn1C(C)(C)C)[N@@H+](Cc1ccc(C)cc1)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000057642317 195356330 /nfs/dbraw/zinc/35/63/30/195356330.db2.gz LDZFDUPXHSPJNN-DEOSSOPVSA-N 1 2 472.637 5.348 40 0 JKABLO CC[C@H](c1nnnn1C1CCCC1)[N@H+](Cc1ccc(C)cc1)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000057642372 195356354 /nfs/dbraw/zinc/35/63/54/195356354.db2.gz XASJYQWONSTRMD-AREMUKBSSA-N 1 2 484.648 5.708 40 0 JKABLO CC[C@H](c1nnnn1C1CCCC1)[N@@H+](Cc1ccc(C)cc1)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000057642372 195356357 /nfs/dbraw/zinc/35/63/57/195356357.db2.gz XASJYQWONSTRMD-AREMUKBSSA-N 1 2 484.648 5.708 40 0 JKABLO CC[C@H](c1nnnn1C1CCCCC1)[N@H+](Cc1ccc(C)cc1)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000057642378 195356503 /nfs/dbraw/zinc/35/65/03/195356503.db2.gz KLXVIYHBCXKPGW-HHHXNRCGSA-N 1 2 498.675 6.099 40 0 JKABLO CC[C@H](c1nnnn1C1CCCCC1)[N@@H+](Cc1ccc(C)cc1)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000057642378 195356506 /nfs/dbraw/zinc/35/65/06/195356506.db2.gz KLXVIYHBCXKPGW-HHHXNRCGSA-N 1 2 498.675 6.099 40 0 JKABLO CCc1ccc2[nH]c(=O)c(C[N@H+](Cc3cccs3)[C@@H](c3nnnn3C(C)(C)C)C(C)C)cc2c1 ZINC000057645957 195356816 /nfs/dbraw/zinc/35/68/16/195356816.db2.gz QESOHDFXUCMXEK-HSZRJFAPSA-N 1 2 478.666 5.293 40 0 JKABLO CCc1ccc2[nH]c(=O)c(C[N@@H+](Cc3cccs3)[C@@H](c3nnnn3C(C)(C)C)C(C)C)cc2c1 ZINC000057645957 195356818 /nfs/dbraw/zinc/35/68/18/195356818.db2.gz QESOHDFXUCMXEK-HSZRJFAPSA-N 1 2 478.666 5.293 40 0 JKABLO COc1ccc(-c2[nH+]c3n(c2NC(C)(C)C)CCN(Cc2cc4c(cc2Cl)OCO4)C3)cc1 ZINC000057729988 195358699 /nfs/dbraw/zinc/35/86/99/195358699.db2.gz DOQVLEHWSDVFTI-UHFFFAOYSA-N 1 2 468.985 5.167 40 0 JKABLO O[C@@H](C[NH+]1CCN([C@@H]2c3ccccc3CSc3ccccc32)CC1)c1ccc(Cl)cc1 ZINC000096251410 130003017 /nfs/dbraw/zinc/00/30/17/130003017.db2.gz OUUZYWUMQUOBSM-AZGAKELHSA-N 1 2 451.035 5.386 40 0 JKABLO CC(C)(C)c1ccc(C(=O)Nc2cccc(NC(=O)c3ccc(Cn4cc[nH+]c4)cc3)c2)cc1 ZINC000044939112 519022336 /nfs/dbraw/zinc/02/23/36/519022336.db2.gz QDGBTLAJTZLDFS-UHFFFAOYSA-N 1 2 452.558 5.734 40 0 JKABLO COc1ccc(C(=O)Nc2c[nH+]c(C)n2-c2nc(-c3ccc(Cl)cc3)cs2)cc1OC ZINC000041124322 523760739 /nfs/dbraw/zinc/76/07/39/523760739.db2.gz JEIYCSIWNMUQTB-UHFFFAOYSA-N 1 2 454.939 5.227 40 0 JKABLO COc1ccc(CCC(=O)Nc2c[nH+]c(C)n2-c2nc(-c3ccc(Cl)cc3)cs2)cc1 ZINC000041124299 523928196 /nfs/dbraw/zinc/92/81/96/523928196.db2.gz AJQYFKHJCJLLEY-UHFFFAOYSA-N 1 2 452.967 5.538 40 0 JKABLO O=S(=O)(c1ccc(Cl)cc1Cl)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000041091734 527272061 /nfs/dbraw/zinc/27/20/61/527272061.db2.gz GKWCZVHKMOPECL-UHFFFAOYSA-N 1 2 461.414 5.089 40 0 JKABLO Cc1ccc(-n2ncc3c2nc[nH+]c3SCC(=O)Nc2cccc(C(F)(F)F)c2)cc1C ZINC000001346448 553955364 /nfs/dbraw/zinc/95/53/64/553955364.db2.gz FYOGKAQKQHPNSI-UHFFFAOYSA-N 1 2 457.481 5.182 40 0 JKABLO O=C(CSc1[nH+]cnc2c1cnn2-c1ccc(Cl)cc1)Nc1ccccc1Oc1ccccc1 ZINC000001346687 553955693 /nfs/dbraw/zinc/95/56/93/553955693.db2.gz MGXWKRQIULBYMG-UHFFFAOYSA-N 1 2 487.972 5.992 40 0 JKABLO CC[C@@H](c1nnnn1CCc1ccccc1)[N@H+](Cc1cccs1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000001374343 553962716 /nfs/dbraw/zinc/96/27/16/553962716.db2.gz XUOONOWRNVOENG-SANMLTNESA-N 1 2 498.656 5.281 40 0 JKABLO CC[C@@H](c1nnnn1CCc1ccccc1)[N@@H+](Cc1cccs1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000001374343 553962719 /nfs/dbraw/zinc/96/27/19/553962719.db2.gz XUOONOWRNVOENG-SANMLTNESA-N 1 2 498.656 5.281 40 0 JKABLO CC[C@@H](c1nnnn1C(C)(C)CC)[N@H+](Cc1cccs1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000001374131 553962770 /nfs/dbraw/zinc/96/27/70/553962770.db2.gz SEJITSHPIGPSPB-QFIPXVFZSA-N 1 2 464.639 5.183 40 0 JKABLO CC[C@@H](c1nnnn1C(C)(C)CC)[N@@H+](Cc1cccs1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000001374131 553962773 /nfs/dbraw/zinc/96/27/73/553962773.db2.gz SEJITSHPIGPSPB-QFIPXVFZSA-N 1 2 464.639 5.183 40 0 JKABLO CC[C@@H](c1nnnn1Cc1ccccc1)[N@H+](Cc1cccs1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000001374189 553962778 /nfs/dbraw/zinc/96/27/78/553962778.db2.gz RSNPSPYZKCBMBY-VWLOTQADSA-N 1 2 484.629 5.086 40 0 JKABLO CC[C@@H](c1nnnn1Cc1ccccc1)[N@@H+](Cc1cccs1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000001374189 553962780 /nfs/dbraw/zinc/96/27/80/553962780.db2.gz RSNPSPYZKCBMBY-VWLOTQADSA-N 1 2 484.629 5.086 40 0 JKABLO CC[C@H](c1nnnn1C(C)(C)C)[N@H+](Cc1ccccc1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000001374997 553963039 /nfs/dbraw/zinc/96/30/39/553963039.db2.gz YQJYFKZJUHNBHA-XMMPIXPASA-N 1 2 458.610 5.040 40 0 JKABLO CC[C@H](c1nnnn1C(C)(C)C)[N@@H+](Cc1ccccc1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000001374997 553963041 /nfs/dbraw/zinc/96/30/41/553963041.db2.gz YQJYFKZJUHNBHA-XMMPIXPASA-N 1 2 458.610 5.040 40 0 JKABLO CC[C@@H](c1nnnn1C(C)(C)C)[N@H+](Cc1ccc(F)cc1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000001375202 553963053 /nfs/dbraw/zinc/96/30/53/553963053.db2.gz KYUMRSLLASQUIV-DEOSSOPVSA-N 1 2 476.600 5.179 40 0 JKABLO CC[C@@H](c1nnnn1C(C)(C)C)[N@@H+](Cc1ccc(F)cc1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000001375202 553963055 /nfs/dbraw/zinc/96/30/55/553963055.db2.gz KYUMRSLLASQUIV-DEOSSOPVSA-N 1 2 476.600 5.179 40 0 JKABLO CC[C@H](c1nnnn1C(C)(C)C)[N@H+](Cc1cccs1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000001375018 553963145 /nfs/dbraw/zinc/96/31/45/553963145.db2.gz XUYJCXDKVBDZMY-JOCHJYFZSA-N 1 2 464.639 5.101 40 0 JKABLO CC[C@H](c1nnnn1C(C)(C)C)[N@@H+](Cc1cccs1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000001375018 553963149 /nfs/dbraw/zinc/96/31/49/553963149.db2.gz XUYJCXDKVBDZMY-JOCHJYFZSA-N 1 2 464.639 5.101 40 0 JKABLO CC[C@@H](c1nnnn1Cc1ccco1)[N@H+](Cc1ccc(C)cc1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000001375333 553963611 /nfs/dbraw/zinc/96/36/11/553963611.db2.gz ACPNYXFWXMXFAV-MHZLTWQESA-N 1 2 496.615 5.235 40 0 JKABLO CC[C@@H](c1nnnn1Cc1ccco1)[N@@H+](Cc1ccc(C)cc1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000001375333 553963614 /nfs/dbraw/zinc/96/36/14/553963614.db2.gz ACPNYXFWXMXFAV-MHZLTWQESA-N 1 2 496.615 5.235 40 0 JKABLO CC[C@H](c1nnnn1C(C)(C)CC)[N@H+](Cc1cccs1)Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000001375421 553963678 /nfs/dbraw/zinc/96/36/78/553963678.db2.gz VYRGYCQBBZLLAJ-JOCHJYFZSA-N 1 2 478.666 5.492 40 0 JKABLO CC[C@H](c1nnnn1C(C)(C)CC)[N@@H+](Cc1cccs1)Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000001375421 553963679 /nfs/dbraw/zinc/96/36/79/553963679.db2.gz VYRGYCQBBZLLAJ-JOCHJYFZSA-N 1 2 478.666 5.492 40 0 JKABLO CSc1ccc([C@H](Nc2cccc[nH+]2)c2c(C)c(C)sc2NC(=O)c2ccccc2)cc1 ZINC000002546418 554235036 /nfs/dbraw/zinc/23/50/36/554235036.db2.gz CGQSURSXDUYYDQ-DEOSSOPVSA-N 1 2 459.640 6.936 40 0 JKABLO CC(=O)c1c2n(c(C(=O)c3ccc(Br)cc3)c1-c1ccccc1)C=[NH+][C@@H](c1ccccc1)C2 ZINC000003131456 554426392 /nfs/dbraw/zinc/42/63/92/554426392.db2.gz JZALSULFHAACIO-HSZRJFAPSA-N 1 2 497.392 6.525 40 0 JKABLO CC(=O)c1c2n(c(C(=O)c3ccc(Br)cc3)c1-c1ccccc1)C=[NH+][C@H](c1ccccc1)C2 ZINC000003131457 554426713 /nfs/dbraw/zinc/42/67/13/554426713.db2.gz JZALSULFHAACIO-QHCPKHFHSA-N 1 2 497.392 6.525 40 0 JKABLO CCOC(=O)Nc1ccc(S(=O)(=O)c2ccc(Nc3cc[nH+]c4cc(Cl)ccc34)cc2)cc1 ZINC000005986406 554499156 /nfs/dbraw/zinc/49/91/56/554499156.db2.gz AICLVOUPKRVKDW-UHFFFAOYSA-N 1 2 481.961 6.033 40 0 JKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)c4ccccc4C)cc3n2)c(C)c1 ZINC000008835487 554734601 /nfs/dbraw/zinc/73/46/01/554734601.db2.gz BHNBQWBOTRLXHG-UHFFFAOYSA-N 1 2 486.645 5.319 40 0 JKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=O)COc4cc(C)ccc4C(C)C)cc3n2)c(C)c1 ZINC000008900405 554792546 /nfs/dbraw/zinc/79/25/46/554792546.db2.gz FYMBKCIWAPCAMP-UHFFFAOYSA-N 1 2 499.659 6.333 40 0 JKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(Br)cc4)cc3n2)c(C)c1 ZINC000008900414 554792589 /nfs/dbraw/zinc/79/25/89/554792589.db2.gz KJAYVZGEVKFGBM-UHFFFAOYSA-N 1 2 492.421 5.898 40 0 JKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=O)c4cc(Cl)ccc4OC)cc3n2)c(C)c1 ZINC000008900435 554792833 /nfs/dbraw/zinc/79/28/33/554792833.db2.gz BZANUUXFMHELQJ-UHFFFAOYSA-N 1 2 477.996 5.798 40 0 JKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=O)COc4ccc(C(C)C)cc4)cc3n2)c(C)c1 ZINC000008900460 554792922 /nfs/dbraw/zinc/79/29/22/554792922.db2.gz DITQWGGSZCCUJW-UHFFFAOYSA-N 1 2 485.632 6.024 40 0 JKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=O)c4cccc(Br)c4)cc3n2)c(C)c1 ZINC000008900448 554792942 /nfs/dbraw/zinc/79/29/42/554792942.db2.gz RKZLSZQZDKKOEV-UHFFFAOYSA-N 1 2 492.421 5.898 40 0 JKABLO COc1ccc([C@H]2[C@H]3CCCC[C@]3(O)CC[N@@H+]2CC(=O)Nc2ccc(Cl)cc2Cl)c(OC)c1 ZINC000009281465 555050803 /nfs/dbraw/zinc/05/08/03/555050803.db2.gz LDXVWFULKHKEMT-NGXZDTIWSA-N 1 2 493.431 5.317 40 0 JKABLO COc1ccc([C@H]2[C@H]3CCCC[C@]3(O)CC[N@H+]2CC(=O)Nc2ccc(Cl)cc2Cl)c(OC)c1 ZINC000009281465 555050806 /nfs/dbraw/zinc/05/08/06/555050806.db2.gz LDXVWFULKHKEMT-NGXZDTIWSA-N 1 2 493.431 5.317 40 0 JKABLO O=C(C[N@@H+]1CC[C@@]2(O)CCCC[C@H]2[C@@H]1c1ccc2c(c1)OCO2)Nc1ccc(Cl)cc1Cl ZINC000009316449 555091730 /nfs/dbraw/zinc/09/17/30/555091730.db2.gz JIJIPXXOLJEYFK-DPSWKAHMSA-N 1 2 477.388 5.029 40 0 JKABLO O=C(C[N@H+]1CC[C@@]2(O)CCCC[C@H]2[C@@H]1c1ccc2c(c1)OCO2)Nc1ccc(Cl)cc1Cl ZINC000009316449 555091733 /nfs/dbraw/zinc/09/17/33/555091733.db2.gz JIJIPXXOLJEYFK-DPSWKAHMSA-N 1 2 477.388 5.029 40 0 JKABLO O=C1C[C@H](c2ccc(Br)cc2)[NH2+][C@H](c2ccc(Br)cc2)[C@H]1c1ccccc1 ZINC000013152596 555359187 /nfs/dbraw/zinc/35/91/87/555359187.db2.gz GWXVHIWWZSJFAP-AKIFATBCSA-N 1 2 485.219 6.340 40 0 aggregator JKABLO CC[C@H](c1nnnn1C(C)(C)C)[N@H+](Cc1ccc(F)cc1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013494448 555404535 /nfs/dbraw/zinc/40/45/35/555404535.db2.gz JZALZUQVMBFTGZ-HSZRJFAPSA-N 1 2 476.600 5.179 40 0 JKABLO CC[C@H](c1nnnn1C(C)(C)C)[N@@H+](Cc1ccc(F)cc1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013494448 555404536 /nfs/dbraw/zinc/40/45/36/555404536.db2.gz JZALZUQVMBFTGZ-HSZRJFAPSA-N 1 2 476.600 5.179 40 0 JKABLO CC[C@@H](c1nnnn1C(C)(C)C)[N@H+](Cc1ccc(C)cc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013494423 555404649 /nfs/dbraw/zinc/40/46/49/555404649.db2.gz NRNXSLFMCFSRMB-QHCPKHFHSA-N 1 2 458.610 5.040 40 0 JKABLO CC[C@@H](c1nnnn1C(C)(C)C)[N@@H+](Cc1ccc(C)cc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013494423 555404651 /nfs/dbraw/zinc/40/46/51/555404651.db2.gz NRNXSLFMCFSRMB-QHCPKHFHSA-N 1 2 458.610 5.040 40 0 JKABLO CC[C@@H](c1nnnn1C1CCCCC1)[N@H+](Cc1ccccc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013494636 555405360 /nfs/dbraw/zinc/40/53/60/555405360.db2.gz IWVBALSNIPPWSQ-SANMLTNESA-N 1 2 470.621 5.482 40 0 JKABLO CC[C@@H](c1nnnn1C1CCCCC1)[N@@H+](Cc1ccccc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013494636 555405363 /nfs/dbraw/zinc/40/53/63/555405363.db2.gz IWVBALSNIPPWSQ-SANMLTNESA-N 1 2 470.621 5.482 40 0 JKABLO CC[C@@H](c1nnnn1Cc1ccc(F)cc1)[N@H+](Cc1ccccc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013494643 555405370 /nfs/dbraw/zinc/40/53/70/555405370.db2.gz CAMFPXJTPISHOR-MHZLTWQESA-N 1 2 496.590 5.164 40 0 JKABLO CC[C@@H](c1nnnn1Cc1ccc(F)cc1)[N@@H+](Cc1ccccc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013494643 555405373 /nfs/dbraw/zinc/40/53/73/555405373.db2.gz CAMFPXJTPISHOR-MHZLTWQESA-N 1 2 496.590 5.164 40 0 JKABLO CC[C@@H](c1nnnn1CCc1ccccc1)[N@H+](Cc1ccccc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013494658 555405440 /nfs/dbraw/zinc/40/54/40/555405440.db2.gz YUKRICCZYUEHCE-MHZLTWQESA-N 1 2 492.627 5.219 40 0 JKABLO CC[C@@H](c1nnnn1CCc1ccccc1)[N@@H+](Cc1ccccc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013494658 555405443 /nfs/dbraw/zinc/40/54/43/555405443.db2.gz YUKRICCZYUEHCE-MHZLTWQESA-N 1 2 492.627 5.219 40 0 JKABLO CC[C@H](c1nnnn1C(C)(C)CC)[N@H+](Cc1ccc(C)cc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013494778 555406480 /nfs/dbraw/zinc/40/64/80/555406480.db2.gz CUHNKZOOZAAMHF-RUZDIDTESA-N 1 2 472.637 5.430 40 0 JKABLO CC[C@H](c1nnnn1C(C)(C)CC)[N@@H+](Cc1ccc(C)cc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013494778 555406483 /nfs/dbraw/zinc/40/64/83/555406483.db2.gz CUHNKZOOZAAMHF-RUZDIDTESA-N 1 2 472.637 5.430 40 0 JKABLO CC[C@H](c1nnnn1C1CCCC1)[N@H+](Cc1ccc(F)cc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013494946 555406743 /nfs/dbraw/zinc/40/67/43/555406743.db2.gz JECPVYSDZFBVRQ-XMMPIXPASA-N 1 2 474.584 5.231 40 0 JKABLO CC[C@H](c1nnnn1C1CCCC1)[N@@H+](Cc1ccc(F)cc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013494946 555406746 /nfs/dbraw/zinc/40/67/46/555406746.db2.gz JECPVYSDZFBVRQ-XMMPIXPASA-N 1 2 474.584 5.231 40 0 JKABLO CC[C@@H](c1nnnn1C(C)(C)CC)[N@H+](Cc1ccc(F)cc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013494944 555406870 /nfs/dbraw/zinc/40/68/70/555406870.db2.gz FAVVMJYDKFYBCW-QHCPKHFHSA-N 1 2 476.600 5.261 40 0 JKABLO CC[C@@H](c1nnnn1C(C)(C)CC)[N@@H+](Cc1ccc(F)cc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013494944 555406872 /nfs/dbraw/zinc/40/68/72/555406872.db2.gz FAVVMJYDKFYBCW-QHCPKHFHSA-N 1 2 476.600 5.261 40 0 JKABLO CC[C@H](c1nnnn1C(C)(C)CC)[N@H+](Cc1ccc(F)cc1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013495016 555406907 /nfs/dbraw/zinc/40/69/07/555406907.db2.gz UVFRTAQAPYKATI-XMMPIXPASA-N 1 2 490.627 5.569 40 0 JKABLO CC[C@H](c1nnnn1C(C)(C)CC)[N@@H+](Cc1ccc(F)cc1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013495016 555406909 /nfs/dbraw/zinc/40/69/09/555406909.db2.gz UVFRTAQAPYKATI-XMMPIXPASA-N 1 2 490.627 5.569 40 0 JKABLO CC[C@@H](c1nnnn1C1CCCC1)[N@H+](Cc1ccc(F)cc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013494986 555406915 /nfs/dbraw/zinc/40/69/15/555406915.db2.gz YMZYUJOFFGYBAK-VWLOTQADSA-N 1 2 474.584 5.231 40 0 JKABLO CC[C@@H](c1nnnn1C1CCCC1)[N@@H+](Cc1ccc(F)cc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013494986 555406918 /nfs/dbraw/zinc/40/69/18/555406918.db2.gz YMZYUJOFFGYBAK-VWLOTQADSA-N 1 2 474.584 5.231 40 0 JKABLO CC[C@H](c1nnnn1C(C)(C)CC)[N@H+](Cc1ccc(F)cc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013494980 555406927 /nfs/dbraw/zinc/40/69/27/555406927.db2.gz JMGNZVNFKFMHIV-XMMPIXPASA-N 1 2 476.600 5.261 40 0 JKABLO CC[C@H](c1nnnn1C(C)(C)CC)[N@@H+](Cc1ccc(F)cc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013494980 555406929 /nfs/dbraw/zinc/40/69/29/555406929.db2.gz JMGNZVNFKFMHIV-XMMPIXPASA-N 1 2 476.600 5.261 40 0 JKABLO CC[C@H](c1nnnn1C1CCCC1)[N@H+](Cc1ccc(F)cc1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013495020 555407170 /nfs/dbraw/zinc/40/71/70/555407170.db2.gz JQQXCSPDDMTTJI-RUZDIDTESA-N 1 2 488.611 5.539 40 0 JKABLO CC[C@H](c1nnnn1C1CCCC1)[N@@H+](Cc1ccc(F)cc1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013495020 555407172 /nfs/dbraw/zinc/40/71/72/555407172.db2.gz JQQXCSPDDMTTJI-RUZDIDTESA-N 1 2 488.611 5.539 40 0 JKABLO CC[C@@H](c1nnnn1C1CCCC1)[N@H+](Cc1ccc(OC)cc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013495136 555407188 /nfs/dbraw/zinc/40/71/88/555407188.db2.gz JAVXMZIAHKRAPY-SANMLTNESA-N 1 2 486.620 5.100 40 0 JKABLO CC[C@@H](c1nnnn1C1CCCC1)[N@@H+](Cc1ccc(OC)cc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013495136 555407191 /nfs/dbraw/zinc/40/71/91/555407191.db2.gz JAVXMZIAHKRAPY-SANMLTNESA-N 1 2 486.620 5.100 40 0 JKABLO CC[C@@H](c1nnnn1C(C)(C)CC)[N@H+](Cc1ccc(F)cc1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013495018 555407257 /nfs/dbraw/zinc/40/72/57/555407257.db2.gz UVFRTAQAPYKATI-DEOSSOPVSA-N 1 2 490.627 5.569 40 0 JKABLO CC[C@@H](c1nnnn1C(C)(C)CC)[N@@H+](Cc1ccc(F)cc1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013495018 555407261 /nfs/dbraw/zinc/40/72/61/555407261.db2.gz UVFRTAQAPYKATI-DEOSSOPVSA-N 1 2 490.627 5.569 40 0 JKABLO CC[C@@H](c1nnnn1CCc1ccccc1)[N@H+](Cc1cccs1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013495751 555409156 /nfs/dbraw/zinc/40/91/56/555409156.db2.gz VYZTYJAMFRWBRE-VWLOTQADSA-N 1 2 498.656 5.281 40 0 JKABLO CC[C@@H](c1nnnn1CCc1ccccc1)[N@@H+](Cc1cccs1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013495751 555409159 /nfs/dbraw/zinc/40/91/59/555409159.db2.gz VYZTYJAMFRWBRE-VWLOTQADSA-N 1 2 498.656 5.281 40 0 JKABLO CC[C@H](c1nnnn1Cc1ccccc1)[N@H+](Cc1cccs1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013495758 555409196 /nfs/dbraw/zinc/40/91/96/555409196.db2.gz AZJJSWAXMZTCCM-RUZDIDTESA-N 1 2 484.629 5.086 40 0 JKABLO CC[C@H](c1nnnn1Cc1ccccc1)[N@@H+](Cc1cccs1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013495758 555409197 /nfs/dbraw/zinc/40/91/97/555409197.db2.gz AZJJSWAXMZTCCM-RUZDIDTESA-N 1 2 484.629 5.086 40 0 JKABLO CC[C@@H](c1nnnn1C1CCCCC1)[N@H+](Cc1cccs1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013495757 555409206 /nfs/dbraw/zinc/40/92/06/555409206.db2.gz NVNNCWIUNJTJGC-DEOSSOPVSA-N 1 2 476.650 5.543 40 0 JKABLO CC[C@@H](c1nnnn1C1CCCCC1)[N@@H+](Cc1cccs1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013495757 555409207 /nfs/dbraw/zinc/40/92/07/555409207.db2.gz NVNNCWIUNJTJGC-DEOSSOPVSA-N 1 2 476.650 5.543 40 0 JKABLO CCc1ccc2[nH]c(=O)c(C[N@H+](Cc3ccc(F)cc3)[C@H](c3nnnn3C(C)(C)C)C(C)C)cc2c1 ZINC000013498423 555420279 /nfs/dbraw/zinc/42/02/79/555420279.db2.gz XSBKORGXMRJRGS-VWLOTQADSA-N 1 2 490.627 5.371 40 0 JKABLO CCc1ccc2[nH]c(=O)c(C[N@@H+](Cc3ccc(F)cc3)[C@H](c3nnnn3C(C)(C)C)C(C)C)cc2c1 ZINC000013498423 555420282 /nfs/dbraw/zinc/42/02/82/555420282.db2.gz XSBKORGXMRJRGS-VWLOTQADSA-N 1 2 490.627 5.371 40 0 JKABLO CCc1ccc2[nH]c(=O)c(C[N@H+](Cc3cccs3)[C@@H](c3nnnn3C3CCCC3)C(C)C)cc2c1 ZINC000013498437 555420818 /nfs/dbraw/zinc/42/08/18/555420818.db2.gz KVCCGRPVXFMELY-RUZDIDTESA-N 1 2 490.677 5.653 40 0 JKABLO CCc1ccc2[nH]c(=O)c(C[N@@H+](Cc3cccs3)[C@@H](c3nnnn3C3CCCC3)C(C)C)cc2c1 ZINC000013498437 555420822 /nfs/dbraw/zinc/42/08/22/555420822.db2.gz KVCCGRPVXFMELY-RUZDIDTESA-N 1 2 490.677 5.653 40 0 JKABLO CCC(C)(C)n1nnnc1[C@@H](C(C)C)[N@H+](Cc1ccc(F)cc1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000013498498 555421026 /nfs/dbraw/zinc/42/10/26/555421026.db2.gz AZOCJJDMZSZYJA-RUZDIDTESA-N 1 2 490.627 5.507 40 0 JKABLO CCC(C)(C)n1nnnc1[C@@H](C(C)C)[N@@H+](Cc1ccc(F)cc1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000013498498 555421031 /nfs/dbraw/zinc/42/10/31/555421031.db2.gz AZOCJJDMZSZYJA-RUZDIDTESA-N 1 2 490.627 5.507 40 0 JKABLO Cc1ccc2cc(C[N@@H+](Cc3ccccc3)[C@H](c3nnnn3C3CCCC3)C(C)C)c(=O)[nH]c2c1 ZINC000013498505 555421070 /nfs/dbraw/zinc/42/10/70/555421070.db2.gz AZYLCAOPRWBYBX-SANMLTNESA-N 1 2 470.621 5.338 40 0 JKABLO Cc1ccc2cc(C[N@H+](Cc3ccccc3)[C@H](c3nnnn3C3CCCC3)C(C)C)c(=O)[nH]c2c1 ZINC000013498505 555421074 /nfs/dbraw/zinc/42/10/74/555421074.db2.gz AZYLCAOPRWBYBX-SANMLTNESA-N 1 2 470.621 5.338 40 0 JKABLO Cc1ccc2cc(C[N@@H+](Cc3ccc(F)cc3)[C@@H](c3nnnn3C3CCCC3)C(C)C)c(=O)[nH]c2c1 ZINC000013498506 555421203 /nfs/dbraw/zinc/42/12/03/555421203.db2.gz DTTQYPDXNLVUGI-AREMUKBSSA-N 1 2 488.611 5.477 40 0 JKABLO Cc1ccc2cc(C[N@H+](Cc3ccc(F)cc3)[C@@H](c3nnnn3C3CCCC3)C(C)C)c(=O)[nH]c2c1 ZINC000013498506 555421206 /nfs/dbraw/zinc/42/12/06/555421206.db2.gz DTTQYPDXNLVUGI-AREMUKBSSA-N 1 2 488.611 5.477 40 0 JKABLO Cc1ccc2cc(C[N@@H+](Cc3ccc(F)cc3)[C@@H](c3nnnn3C(C)(C)C)C(C)C)c(=O)[nH]c2c1 ZINC000013498484 555421221 /nfs/dbraw/zinc/42/12/21/555421221.db2.gz RWUQBXPHHLSZQU-XMMPIXPASA-N 1 2 476.600 5.117 40 0 JKABLO Cc1ccc2cc(C[N@H+](Cc3ccc(F)cc3)[C@@H](c3nnnn3C(C)(C)C)C(C)C)c(=O)[nH]c2c1 ZINC000013498484 555421224 /nfs/dbraw/zinc/42/12/24/555421224.db2.gz RWUQBXPHHLSZQU-XMMPIXPASA-N 1 2 476.600 5.117 40 0 JKABLO CCC(C)(C)n1nnnc1[C@H](C(C)C)[N@H+](Cc1ccccc1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000013498497 555421272 /nfs/dbraw/zinc/42/12/72/555421272.db2.gz WXAKYLNYSPPWBI-VWLOTQADSA-N 1 2 472.637 5.368 40 0 JKABLO CCC(C)(C)n1nnnc1[C@H](C(C)C)[N@@H+](Cc1ccccc1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000013498497 555421275 /nfs/dbraw/zinc/42/12/75/555421275.db2.gz WXAKYLNYSPPWBI-VWLOTQADSA-N 1 2 472.637 5.368 40 0 JKABLO Cc1ccc(C[N@H+](Cc2cc3ccc(C)cc3[nH]c2=O)[C@H](c2nnnn2C2CCCCC2)C(C)C)cc1 ZINC000013498566 555421997 /nfs/dbraw/zinc/42/19/97/555421997.db2.gz MNNVAQMOMFFQPG-NDEPHWFRSA-N 1 2 498.675 6.036 40 0 JKABLO Cc1ccc(C[N@@H+](Cc2cc3ccc(C)cc3[nH]c2=O)[C@H](c2nnnn2C2CCCCC2)C(C)C)cc1 ZINC000013498566 555422001 /nfs/dbraw/zinc/42/20/01/555422001.db2.gz MNNVAQMOMFFQPG-NDEPHWFRSA-N 1 2 498.675 6.036 40 0 JKABLO Cc1ccc(C[N@H+](Cc2cc3ccc(C)cc3[nH]c2=O)[C@H](c2nnnn2C(C)(C)C)C(C)C)cc1 ZINC000013498561 555422146 /nfs/dbraw/zinc/42/21/46/555422146.db2.gz OUPKGCASZVALGV-VWLOTQADSA-N 1 2 472.637 5.286 40 0 JKABLO Cc1ccc(C[N@@H+](Cc2cc3ccc(C)cc3[nH]c2=O)[C@H](c2nnnn2C(C)(C)C)C(C)C)cc1 ZINC000013498561 555422149 /nfs/dbraw/zinc/42/21/49/555422149.db2.gz OUPKGCASZVALGV-VWLOTQADSA-N 1 2 472.637 5.286 40 0 JKABLO Cc1ccc2cc(C[N@@H+](Cc3ccco3)[C@@H](c3nnnn3CCc3ccccc3)C(C)C)c(=O)[nH]c2c1 ZINC000013498583 555422481 /nfs/dbraw/zinc/42/24/81/555422481.db2.gz QNDKTOBWODQTBJ-HHHXNRCGSA-N 1 2 496.615 5.058 40 0 JKABLO Cc1ccc2cc(C[N@H+](Cc3ccco3)[C@@H](c3nnnn3CCc3ccccc3)C(C)C)c(=O)[nH]c2c1 ZINC000013498583 555422485 /nfs/dbraw/zinc/42/24/85/555422485.db2.gz QNDKTOBWODQTBJ-HHHXNRCGSA-N 1 2 496.615 5.058 40 0 JKABLO CCC(C)(C)n1nnnc1[C@H](C(C)C)[N@H+](Cc1ccco1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000013498861 555425573 /nfs/dbraw/zinc/42/55/73/555425573.db2.gz QSNCRJQWDYVBQO-DEOSSOPVSA-N 1 2 476.625 5.269 40 0 JKABLO CCC(C)(C)n1nnnc1[C@H](C(C)C)[N@@H+](Cc1ccco1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000013498861 555425575 /nfs/dbraw/zinc/42/55/75/555425575.db2.gz QSNCRJQWDYVBQO-DEOSSOPVSA-N 1 2 476.625 5.269 40 0 JKABLO Cc1cc2cc(C[N@@H+](Cc3ccco3)[C@@H](c3nnnn3C3CCCC3)C(C)C)c(=O)[nH]c2cc1C ZINC000013498874 555425598 /nfs/dbraw/zinc/42/55/98/555425598.db2.gz UJQIFDOPDDHWAU-RUZDIDTESA-N 1 2 474.609 5.239 40 0 JKABLO Cc1cc2cc(C[N@H+](Cc3ccco3)[C@@H](c3nnnn3C3CCCC3)C(C)C)c(=O)[nH]c2cc1C ZINC000013498874 555425599 /nfs/dbraw/zinc/42/55/99/555425599.db2.gz UJQIFDOPDDHWAU-RUZDIDTESA-N 1 2 474.609 5.239 40 0 JKABLO Cc1cc2cc(C[N@@H+](C[C@@H]3CCCO3)[C@@H](c3nnnn3C3CCCCC3)C(C)C)c(=O)[nH]c2cc1C ZINC000013498888 555425980 /nfs/dbraw/zinc/42/59/80/555425980.db2.gz AROSIMDYIAPRSY-AZGAKELHSA-N 1 2 492.668 5.015 40 0 JKABLO Cc1cc2cc(C[N@H+](C[C@@H]3CCCO3)[C@@H](c3nnnn3C3CCCCC3)C(C)C)c(=O)[nH]c2cc1C ZINC000013498888 555425982 /nfs/dbraw/zinc/42/59/82/555425982.db2.gz AROSIMDYIAPRSY-AZGAKELHSA-N 1 2 492.668 5.015 40 0 JKABLO Cc1cc(C)c2cc(C[N@@H+](Cc3ccc(F)cc3)[C@@H](c3nnnn3C(C)(C)C)C(C)C)c(=O)[nH]c2c1 ZINC000013498996 555426700 /nfs/dbraw/zinc/42/67/00/555426700.db2.gz MSXQLJCLOAXOPN-RUZDIDTESA-N 1 2 490.627 5.425 40 0 JKABLO Cc1cc(C)c2cc(C[N@H+](Cc3ccc(F)cc3)[C@@H](c3nnnn3C(C)(C)C)C(C)C)c(=O)[nH]c2c1 ZINC000013498996 555426705 /nfs/dbraw/zinc/42/67/05/555426705.db2.gz MSXQLJCLOAXOPN-RUZDIDTESA-N 1 2 490.627 5.425 40 0 JKABLO Cc1cc(C)c2cc(C[N@@H+](Cc3ccc(F)cc3)[C@H](c3nnnn3C(C)(C)C)C(C)C)c(=O)[nH]c2c1 ZINC000013498997 555426851 /nfs/dbraw/zinc/42/68/51/555426851.db2.gz MSXQLJCLOAXOPN-VWLOTQADSA-N 1 2 490.627 5.425 40 0 JKABLO Cc1cc(C)c2cc(C[N@H+](Cc3ccc(F)cc3)[C@H](c3nnnn3C(C)(C)C)C(C)C)c(=O)[nH]c2c1 ZINC000013498997 555426855 /nfs/dbraw/zinc/42/68/55/555426855.db2.gz MSXQLJCLOAXOPN-VWLOTQADSA-N 1 2 490.627 5.425 40 0 JKABLO Cc1cc(C)c2cc(C[N@@H+](Cc3cccs3)[C@H](c3nnnn3C3CCCC3)C(C)C)c(=O)[nH]c2c1 ZINC000013499027 555427166 /nfs/dbraw/zinc/42/71/66/555427166.db2.gz CUKMLLIUJAHVFM-VWLOTQADSA-N 1 2 490.677 5.708 40 0 JKABLO Cc1cc(C)c2cc(C[N@H+](Cc3cccs3)[C@H](c3nnnn3C3CCCC3)C(C)C)c(=O)[nH]c2c1 ZINC000013499027 555427168 /nfs/dbraw/zinc/42/71/68/555427168.db2.gz CUKMLLIUJAHVFM-VWLOTQADSA-N 1 2 490.677 5.708 40 0 JKABLO Cc1cc(C)c2cc(C[N@@H+](Cc3cccs3)[C@@H](c3nnnn3C3CCCC3)C(C)C)c(=O)[nH]c2c1 ZINC000013499026 555427282 /nfs/dbraw/zinc/42/72/82/555427282.db2.gz CUKMLLIUJAHVFM-RUZDIDTESA-N 1 2 490.677 5.708 40 0 JKABLO Cc1cc(C)c2cc(C[N@H+](Cc3cccs3)[C@@H](c3nnnn3C3CCCC3)C(C)C)c(=O)[nH]c2c1 ZINC000013499026 555427286 /nfs/dbraw/zinc/42/72/86/555427286.db2.gz CUKMLLIUJAHVFM-RUZDIDTESA-N 1 2 490.677 5.708 40 0 JKABLO Cc1cc(C)c2cc(C[N@@H+](Cc3ccccc3)[C@H](c3nnnn3C3CCCC3)C(C)C)c(=O)[nH]c2c1 ZINC000013499019 555427338 /nfs/dbraw/zinc/42/73/38/555427338.db2.gz LPUVHGRNHZCZGI-MHZLTWQESA-N 1 2 484.648 5.646 40 0 JKABLO Cc1cc(C)c2cc(C[N@H+](Cc3ccccc3)[C@H](c3nnnn3C3CCCC3)C(C)C)c(=O)[nH]c2c1 ZINC000013499019 555427339 /nfs/dbraw/zinc/42/73/39/555427339.db2.gz LPUVHGRNHZCZGI-MHZLTWQESA-N 1 2 484.648 5.646 40 0 JKABLO Cc1ccc(C[N@H+](Cc2cc3c(C)cc(C)cc3[nH]c2=O)[C@@H](c2nnnn2C2CCCC2)C(C)C)cc1 ZINC000013499070 555427511 /nfs/dbraw/zinc/42/75/11/555427511.db2.gz RPLGFWUBSNRALH-MUUNZHRXSA-N 1 2 498.675 5.954 40 0 JKABLO Cc1ccc(C[N@@H+](Cc2cc3c(C)cc(C)cc3[nH]c2=O)[C@@H](c2nnnn2C2CCCC2)C(C)C)cc1 ZINC000013499070 555427517 /nfs/dbraw/zinc/42/75/17/555427517.db2.gz RPLGFWUBSNRALH-MUUNZHRXSA-N 1 2 498.675 5.954 40 0 JKABLO Cc1cc(C)c2cc(C[N@@H+](Cc3ccco3)[C@@H](c3nnnn3C3CCCCC3)C(C)C)c(=O)[nH]c2c1 ZINC000013499040 555427702 /nfs/dbraw/zinc/42/77/02/555427702.db2.gz GZFLLGZWOXXAIM-AREMUKBSSA-N 1 2 488.636 5.629 40 0 JKABLO Cc1cc(C)c2cc(C[N@H+](Cc3ccco3)[C@@H](c3nnnn3C3CCCCC3)C(C)C)c(=O)[nH]c2c1 ZINC000013499040 555427704 /nfs/dbraw/zinc/42/77/04/555427704.db2.gz GZFLLGZWOXXAIM-AREMUKBSSA-N 1 2 488.636 5.629 40 0 JKABLO Cc1cc(C)c2cc(C[N@@H+](C[C@@H]3CCCO3)[C@@H](c3nnnn3C3CCCCC3)C(C)C)c(=O)[nH]c2c1 ZINC000013499038 555427737 /nfs/dbraw/zinc/42/77/37/555427737.db2.gz KAJRDQYTUXNHJB-JYFHCDHNSA-N 1 2 492.668 5.015 40 0 JKABLO Cc1cc(C)c2cc(C[N@H+](C[C@@H]3CCCO3)[C@@H](c3nnnn3C3CCCCC3)C(C)C)c(=O)[nH]c2c1 ZINC000013499038 555427738 /nfs/dbraw/zinc/42/77/38/555427738.db2.gz KAJRDQYTUXNHJB-JYFHCDHNSA-N 1 2 492.668 5.015 40 0 JKABLO Cc1cc(C)c2cc(C[N@@H+](Cc3ccccc3)[C@@H](c3nnnn3Cc3ccco3)C(C)C)c(=O)[nH]c2c1 ZINC000013499086 555428072 /nfs/dbraw/zinc/42/80/72/555428072.db2.gz WYDJBEZFESBTHS-HHHXNRCGSA-N 1 2 496.615 5.172 40 0 JKABLO Cc1cc(C)c2cc(C[N@H+](Cc3ccccc3)[C@@H](c3nnnn3Cc3ccco3)C(C)C)c(=O)[nH]c2c1 ZINC000013499086 555428073 /nfs/dbraw/zinc/42/80/73/555428073.db2.gz WYDJBEZFESBTHS-HHHXNRCGSA-N 1 2 496.615 5.172 40 0 JKABLO CCC(C)(C)n1nnnc1[C@H](C(C)C)[N@H+](Cc1ccccc1)Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000013499119 555428478 /nfs/dbraw/zinc/42/84/78/555428478.db2.gz MGIYYMAYEVWTCU-SANMLTNESA-N 1 2 486.664 5.676 40 0 JKABLO CCC(C)(C)n1nnnc1[C@H](C(C)C)[N@@H+](Cc1ccccc1)Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000013499119 555428479 /nfs/dbraw/zinc/42/84/79/555428479.db2.gz MGIYYMAYEVWTCU-SANMLTNESA-N 1 2 486.664 5.676 40 0 JKABLO Cc1ccc(C)c2[nH]c(=O)c(C[N@@H+](Cc3cccs3)[C@H](c3nnnn3C3CCCC3)C(C)C)cc12 ZINC000013499173 555428789 /nfs/dbraw/zinc/42/87/89/555428789.db2.gz TUBWJDJSIWWKJE-VWLOTQADSA-N 1 2 490.677 5.708 40 0 JKABLO Cc1ccc(C)c2[nH]c(=O)c(C[N@H+](Cc3cccs3)[C@H](c3nnnn3C3CCCC3)C(C)C)cc12 ZINC000013499173 555428791 /nfs/dbraw/zinc/42/87/91/555428791.db2.gz TUBWJDJSIWWKJE-VWLOTQADSA-N 1 2 490.677 5.708 40 0 JKABLO Cc1ccc(C)c2[nH]c(=O)c(C[N@@H+](Cc3ccco3)[C@H](c3nnnn3Cc3ccccc3)C(C)C)cc12 ZINC000013499183 555428809 /nfs/dbraw/zinc/42/88/09/555428809.db2.gz ISWZPHNIJDJHPY-MHZLTWQESA-N 1 2 496.615 5.172 40 0 JKABLO Cc1ccc(C)c2[nH]c(=O)c(C[N@H+](Cc3ccco3)[C@H](c3nnnn3Cc3ccccc3)C(C)C)cc12 ZINC000013499183 555428812 /nfs/dbraw/zinc/42/88/12/555428812.db2.gz ISWZPHNIJDJHPY-MHZLTWQESA-N 1 2 496.615 5.172 40 0 JKABLO Cc1ccc(C)c2[nH]c(=O)c(C[N@@H+](Cc3ccc(F)cc3)[C@@H](c3nnnn3C(C)(C)C)C(C)C)cc12 ZINC000013499166 555428937 /nfs/dbraw/zinc/42/89/37/555428937.db2.gz WNVSYDFQMAJPJJ-RUZDIDTESA-N 1 2 490.627 5.425 40 0 JKABLO Cc1ccc(C)c2[nH]c(=O)c(C[N@H+](Cc3ccc(F)cc3)[C@@H](c3nnnn3C(C)(C)C)C(C)C)cc12 ZINC000013499166 555428940 /nfs/dbraw/zinc/42/89/40/555428940.db2.gz WNVSYDFQMAJPJJ-RUZDIDTESA-N 1 2 490.627 5.425 40 0 JKABLO CCC[C@@H](c1nnnn1C(C)(C)CC)[N@H+](Cc1ccccc1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000013499276 555429890 /nfs/dbraw/zinc/42/98/90/555429890.db2.gz COMUCACHZMNUJY-VWLOTQADSA-N 1 2 472.637 5.512 40 0 JKABLO CCC[C@@H](c1nnnn1C(C)(C)CC)[N@@H+](Cc1ccccc1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000013499276 555429894 /nfs/dbraw/zinc/42/98/94/555429894.db2.gz COMUCACHZMNUJY-VWLOTQADSA-N 1 2 472.637 5.512 40 0 JKABLO CCC[C@@H](c1nnnn1Cc1ccccc1)[N@H+](Cc1cccs1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000013499312 555430381 /nfs/dbraw/zinc/43/03/81/555430381.db2.gz PURMLDJEBBXDJR-SANMLTNESA-N 1 2 498.656 5.476 40 0 JKABLO CCC[C@@H](c1nnnn1Cc1ccccc1)[N@@H+](Cc1cccs1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000013499312 555430383 /nfs/dbraw/zinc/43/03/83/555430383.db2.gz PURMLDJEBBXDJR-SANMLTNESA-N 1 2 498.656 5.476 40 0 JKABLO CCC[C@H](c1nnnn1Cc1ccccc1)[N@H+](Cc1cccs1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000013499311 555430407 /nfs/dbraw/zinc/43/04/07/555430407.db2.gz PURMLDJEBBXDJR-AREMUKBSSA-N 1 2 498.656 5.476 40 0 JKABLO CCC[C@H](c1nnnn1Cc1ccccc1)[N@@H+](Cc1cccs1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000013499311 555430408 /nfs/dbraw/zinc/43/04/08/555430408.db2.gz PURMLDJEBBXDJR-AREMUKBSSA-N 1 2 498.656 5.476 40 0 JKABLO CCC[C@H](c1nnnn1C(C)(C)CC)[N@H+](Cc1ccccc1)Cc1cc2ccc(OC)cc2[nH]c1=O ZINC000013499365 555430889 /nfs/dbraw/zinc/43/08/89/555430889.db2.gz YYLJWRRVQISCJQ-RUZDIDTESA-N 1 2 488.636 5.212 40 0 JKABLO CCC[C@H](c1nnnn1C(C)(C)CC)[N@@H+](Cc1ccccc1)Cc1cc2ccc(OC)cc2[nH]c1=O ZINC000013499365 555430893 /nfs/dbraw/zinc/43/08/93/555430893.db2.gz YYLJWRRVQISCJQ-RUZDIDTESA-N 1 2 488.636 5.212 40 0 JKABLO CCC[C@H](c1nnnn1C(C)(C)C)[N@H+](Cc1ccccc1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000013499427 555431215 /nfs/dbraw/zinc/43/12/15/555431215.db2.gz WAXWTBVPOUZSNB-RUZDIDTESA-N 1 2 472.637 5.430 40 0 JKABLO CCC[C@H](c1nnnn1C(C)(C)C)[N@@H+](Cc1ccccc1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000013499427 555431218 /nfs/dbraw/zinc/43/12/18/555431218.db2.gz WAXWTBVPOUZSNB-RUZDIDTESA-N 1 2 472.637 5.430 40 0 JKABLO CCC[C@@H](c1nnnn1C(C)(C)C)[N@H+](Cc1cccs1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000013499438 555431292 /nfs/dbraw/zinc/43/12/92/555431292.db2.gz RABRPDHSRVXDGO-QHCPKHFHSA-N 1 2 478.666 5.492 40 0 JKABLO CCC[C@@H](c1nnnn1C(C)(C)C)[N@@H+](Cc1cccs1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000013499438 555431295 /nfs/dbraw/zinc/43/12/95/555431295.db2.gz RABRPDHSRVXDGO-QHCPKHFHSA-N 1 2 478.666 5.492 40 0 JKABLO CCC[C@@H](c1nnnn1C1CCCC1)[N@H+](Cc1ccccc1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000013499460 555431680 /nfs/dbraw/zinc/43/16/80/555431680.db2.gz VBPWSCUBQQLCEL-MHZLTWQESA-N 1 2 484.648 5.790 40 0 JKABLO CCC[C@@H](c1nnnn1C1CCCC1)[N@@H+](Cc1ccccc1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000013499460 555431683 /nfs/dbraw/zinc/43/16/83/555431683.db2.gz VBPWSCUBQQLCEL-MHZLTWQESA-N 1 2 484.648 5.790 40 0 JKABLO CCC[C@@H](c1nnnn1C(C)(C)CC)[N@H+](Cc1cccs1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000013499454 555431721 /nfs/dbraw/zinc/43/17/21/555431721.db2.gz PUPUPLTVXFKAHS-DEOSSOPVSA-N 1 2 492.693 5.882 40 0 JKABLO CCC[C@@H](c1nnnn1C(C)(C)CC)[N@@H+](Cc1cccs1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000013499454 555431723 /nfs/dbraw/zinc/43/17/23/555431723.db2.gz PUPUPLTVXFKAHS-DEOSSOPVSA-N 1 2 492.693 5.882 40 0 JKABLO CCC[C@@H](c1nnnn1C1CCCCC1)[N@H+](Cc1ccccc1)Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000013499632 555433842 /nfs/dbraw/zinc/43/38/42/555433842.db2.gz AFFAUBLRSIOQKS-MHZLTWQESA-N 1 2 498.675 6.180 40 0 JKABLO CCC[C@@H](c1nnnn1C1CCCCC1)[N@@H+](Cc1ccccc1)Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000013499632 555433844 /nfs/dbraw/zinc/43/38/44/555433844.db2.gz AFFAUBLRSIOQKS-MHZLTWQESA-N 1 2 498.675 6.180 40 0 JKABLO CCC[C@@H](c1nnnn1C1CCCCC1)[N@@H+](Cc1cc2ccc(C)c(C)c2[nH]c1=O)C[C@@H]1CCCO1 ZINC000013499634 555433947 /nfs/dbraw/zinc/43/39/47/555433947.db2.gz XORUSSZGAMGYAE-DQEYMECFSA-N 1 2 492.668 5.159 40 0 JKABLO CCC[C@@H](c1nnnn1C1CCCCC1)[N@H+](Cc1cc2ccc(C)c(C)c2[nH]c1=O)C[C@@H]1CCCO1 ZINC000013499634 555433953 /nfs/dbraw/zinc/43/39/53/555433953.db2.gz XORUSSZGAMGYAE-DQEYMECFSA-N 1 2 492.668 5.159 40 0 JKABLO Cc1ccc(C[N@H+](Cc2cc3cccc(C)c3[nH]c2=O)[C@H](c2nnnn2C(C)(C)C)C(C)C)cc1 ZINC000013500216 555437897 /nfs/dbraw/zinc/43/78/97/555437897.db2.gz ILKUMSBLCVSTCH-VWLOTQADSA-N 1 2 472.637 5.286 40 0 JKABLO Cc1ccc(C[N@@H+](Cc2cc3cccc(C)c3[nH]c2=O)[C@H](c2nnnn2C(C)(C)C)C(C)C)cc1 ZINC000013500216 555437899 /nfs/dbraw/zinc/43/78/99/555437899.db2.gz ILKUMSBLCVSTCH-VWLOTQADSA-N 1 2 472.637 5.286 40 0 JKABLO Cc1cc(C)c2[nH]c(=O)c(C[N@@H+](Cc3ccc(F)cc3)[C@@H](c3nnnn3C(C)(C)C)C(C)C)cc2c1 ZINC000013500229 555438088 /nfs/dbraw/zinc/43/80/88/555438088.db2.gz YOMCWFIYMYKSLY-RUZDIDTESA-N 1 2 490.627 5.425 40 0 JKABLO Cc1cc(C)c2[nH]c(=O)c(C[N@H+](Cc3ccc(F)cc3)[C@@H](c3nnnn3C(C)(C)C)C(C)C)cc2c1 ZINC000013500229 555438091 /nfs/dbraw/zinc/43/80/91/555438091.db2.gz YOMCWFIYMYKSLY-RUZDIDTESA-N 1 2 490.627 5.425 40 0 JKABLO Cc1cccc2cc(C[N@@H+](Cc3ccc(F)cc3)[C@@H](c3nnnn3C(C)(C)C)C(C)C)c(=O)[nH]c12 ZINC000013500225 555438162 /nfs/dbraw/zinc/43/81/62/555438162.db2.gz IJZFVNWKCJASHN-XMMPIXPASA-N 1 2 476.600 5.117 40 0 JKABLO Cc1cccc2cc(C[N@H+](Cc3ccc(F)cc3)[C@@H](c3nnnn3C(C)(C)C)C(C)C)c(=O)[nH]c12 ZINC000013500225 555438163 /nfs/dbraw/zinc/43/81/63/555438163.db2.gz IJZFVNWKCJASHN-XMMPIXPASA-N 1 2 476.600 5.117 40 0 JKABLO CCOc1ccc2[nH]c(=O)c(C[N@H+](Cc3cccs3)[C@H](c3nnnn3C(C)(C)C)C(C)C)cc2c1 ZINC000013500269 555438511 /nfs/dbraw/zinc/43/85/11/555438511.db2.gz MPADKRSHEXLXOJ-QHCPKHFHSA-N 1 2 494.665 5.129 40 0 JKABLO CCOc1ccc2[nH]c(=O)c(C[N@@H+](Cc3cccs3)[C@H](c3nnnn3C(C)(C)C)C(C)C)cc2c1 ZINC000013500269 555438514 /nfs/dbraw/zinc/43/85/14/555438514.db2.gz MPADKRSHEXLXOJ-QHCPKHFHSA-N 1 2 494.665 5.129 40 0 JKABLO Cc1cccc2cc(C[N@@H+](Cc3cccs3)[C@@H](c3nnnn3C(C)(C)C)C(C)C)c(=O)[nH]c12 ZINC000013500263 555438562 /nfs/dbraw/zinc/43/85/62/555438562.db2.gz FZQFPGXYDQWJKN-JOCHJYFZSA-N 1 2 464.639 5.039 40 0 JKABLO Cc1cccc2cc(C[N@H+](Cc3cccs3)[C@@H](c3nnnn3C(C)(C)C)C(C)C)c(=O)[nH]c12 ZINC000013500263 555438564 /nfs/dbraw/zinc/43/85/64/555438564.db2.gz FZQFPGXYDQWJKN-JOCHJYFZSA-N 1 2 464.639 5.039 40 0 JKABLO Cc1ccc2[nH]c(=O)c(C[N@@H+](Cc3ccccc3)[C@@H](c3nnnn3Cc3ccccc3)C(C)C)cc2c1 ZINC000013500305 555438838 /nfs/dbraw/zinc/43/88/38/555438838.db2.gz KGJSYRNSIQEUQF-MUUNZHRXSA-N 1 2 492.627 5.271 40 0 JKABLO Cc1ccc2[nH]c(=O)c(C[N@H+](Cc3ccccc3)[C@@H](c3nnnn3Cc3ccccc3)C(C)C)cc2c1 ZINC000013500305 555438842 /nfs/dbraw/zinc/43/88/42/555438842.db2.gz KGJSYRNSIQEUQF-MUUNZHRXSA-N 1 2 492.627 5.271 40 0 JKABLO Cc1ccc2[nH]c(=O)c(C[N@@H+](Cc3ccccc3)[C@H](c3nnnn3C3CCCC3)C(C)C)cc2c1 ZINC000013500302 555438854 /nfs/dbraw/zinc/43/88/54/555438854.db2.gz XTDOUBLHBNWIOK-SANMLTNESA-N 1 2 470.621 5.338 40 0 JKABLO Cc1ccc2[nH]c(=O)c(C[N@H+](Cc3ccccc3)[C@H](c3nnnn3C3CCCC3)C(C)C)cc2c1 ZINC000013500302 555438856 /nfs/dbraw/zinc/43/88/56/555438856.db2.gz XTDOUBLHBNWIOK-SANMLTNESA-N 1 2 470.621 5.338 40 0 JKABLO CCC(C)(C)n1nnnc1[C@H](C(C)C)[N@H+](Cc1ccc(C)cc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013500332 555438862 /nfs/dbraw/zinc/43/88/62/555438862.db2.gz BGJFJTYRWOJACH-SANMLTNESA-N 1 2 486.664 5.676 40 0 JKABLO CCC(C)(C)n1nnnc1[C@H](C(C)C)[N@@H+](Cc1ccc(C)cc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013500332 555438865 /nfs/dbraw/zinc/43/88/65/555438865.db2.gz BGJFJTYRWOJACH-SANMLTNESA-N 1 2 486.664 5.676 40 0 JKABLO Cc1cc(C)c2[nH]c(=O)c(C[N@@H+](Cc3ccccc3)[C@@H](c3nnnn3C3CCCC3)C(C)C)cc2c1 ZINC000013500325 555438895 /nfs/dbraw/zinc/43/88/95/555438895.db2.gz OAIBUNQSOWPJLF-HHHXNRCGSA-N 1 2 484.648 5.646 40 0 JKABLO Cc1cc(C)c2[nH]c(=O)c(C[N@H+](Cc3ccccc3)[C@@H](c3nnnn3C3CCCC3)C(C)C)cc2c1 ZINC000013500325 555438897 /nfs/dbraw/zinc/43/88/97/555438897.db2.gz OAIBUNQSOWPJLF-HHHXNRCGSA-N 1 2 484.648 5.646 40 0 JKABLO Cc1cc(C)c2[nH]c(=O)c(C[N@@H+](Cc3ccccc3)[C@H](c3nnnn3C3CCCC3)C(C)C)cc2c1 ZINC000013500326 555438957 /nfs/dbraw/zinc/43/89/57/555438957.db2.gz OAIBUNQSOWPJLF-MHZLTWQESA-N 1 2 484.648 5.646 40 0 JKABLO Cc1cc(C)c2[nH]c(=O)c(C[N@H+](Cc3ccccc3)[C@H](c3nnnn3C3CCCC3)C(C)C)cc2c1 ZINC000013500326 555438959 /nfs/dbraw/zinc/43/89/59/555438959.db2.gz OAIBUNQSOWPJLF-MHZLTWQESA-N 1 2 484.648 5.646 40 0 JKABLO CCC(C)(C)n1nnnc1[C@H](C(C)C)[N@H+](Cc1ccc(C)cc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013500338 555439303 /nfs/dbraw/zinc/43/93/03/555439303.db2.gz HGAGUNQBLPIYIQ-SANMLTNESA-N 1 2 486.664 5.676 40 0 JKABLO CCC(C)(C)n1nnnc1[C@H](C(C)C)[N@@H+](Cc1ccc(C)cc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013500338 555439306 /nfs/dbraw/zinc/43/93/06/555439306.db2.gz HGAGUNQBLPIYIQ-SANMLTNESA-N 1 2 486.664 5.676 40 0 JKABLO Cc1cc(C)c2[nH]c(=O)c(C[N@@H+](C[C@@H]3CCCO3)[C@H](c3nnnn3C3CCCCC3)C(C)C)cc2c1 ZINC000013500407 555439743 /nfs/dbraw/zinc/43/97/43/555439743.db2.gz CVXJVEFADUEDLH-AHWVRZQESA-N 1 2 492.668 5.015 40 0 JKABLO Cc1cc(C)c2[nH]c(=O)c(C[N@H+](C[C@@H]3CCCO3)[C@H](c3nnnn3C3CCCCC3)C(C)C)cc2c1 ZINC000013500407 555439745 /nfs/dbraw/zinc/43/97/45/555439745.db2.gz CVXJVEFADUEDLH-AHWVRZQESA-N 1 2 492.668 5.015 40 0 JKABLO CCC(C)(C)n1nnnc1[C@@H](C(C)C)[N@H+](Cc1cccs1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013500484 555440494 /nfs/dbraw/zinc/44/04/94/555440494.db2.gz BKCBSFPUMBNGPK-HSZRJFAPSA-N 1 2 478.666 5.429 40 0 JKABLO CCC(C)(C)n1nnnc1[C@@H](C(C)C)[N@@H+](Cc1cccs1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013500484 555440497 /nfs/dbraw/zinc/44/04/97/555440497.db2.gz BKCBSFPUMBNGPK-HSZRJFAPSA-N 1 2 478.666 5.429 40 0 JKABLO Cc1cccc2cc(C[N@@H+](Cc3cccs3)[C@H](c3nnnn3C3CCCCC3)C(C)C)c(=O)[nH]c12 ZINC000013500473 555440658 /nfs/dbraw/zinc/44/06/58/555440658.db2.gz AECHEYPPJNSQOV-VWLOTQADSA-N 1 2 490.677 5.789 40 0 JKABLO Cc1cccc2cc(C[N@H+](Cc3cccs3)[C@H](c3nnnn3C3CCCCC3)C(C)C)c(=O)[nH]c12 ZINC000013500473 555440664 /nfs/dbraw/zinc/44/06/64/555440664.db2.gz AECHEYPPJNSQOV-VWLOTQADSA-N 1 2 490.677 5.789 40 0 JKABLO CCC[C@@H](c1nnnn1C(C)(C)C)[N@H+](Cc1ccccc1)Cc1cc2cc(OCC)ccc2[nH]c1=O ZINC000013500703 555442895 /nfs/dbraw/zinc/44/28/95/555442895.db2.gz CITJRYWTXJCDDT-VWLOTQADSA-N 1 2 488.636 5.212 40 0 JKABLO CCC[C@@H](c1nnnn1C(C)(C)C)[N@@H+](Cc1ccccc1)Cc1cc2cc(OCC)ccc2[nH]c1=O ZINC000013500703 555442897 /nfs/dbraw/zinc/44/28/97/555442897.db2.gz CITJRYWTXJCDDT-VWLOTQADSA-N 1 2 488.636 5.212 40 0 JKABLO CCC[C@@H](c1nnnn1C(C)(C)C)[N@H+](Cc1ccccc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013500699 555442922 /nfs/dbraw/zinc/44/29/22/555442922.db2.gz MYPVRMFPJUKOSP-DEOSSOPVSA-N 1 2 458.610 5.122 40 0 JKABLO CCC[C@@H](c1nnnn1C(C)(C)C)[N@@H+](Cc1ccccc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013500699 555442924 /nfs/dbraw/zinc/44/29/24/555442924.db2.gz MYPVRMFPJUKOSP-DEOSSOPVSA-N 1 2 458.610 5.122 40 0 JKABLO CCC[C@H](c1nnnn1C(C)(C)C)[N@H+](Cc1ccccc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013500698 555442939 /nfs/dbraw/zinc/44/29/39/555442939.db2.gz MYPVRMFPJUKOSP-XMMPIXPASA-N 1 2 458.610 5.122 40 0 JKABLO CCC[C@H](c1nnnn1C(C)(C)C)[N@@H+](Cc1ccccc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013500698 555442942 /nfs/dbraw/zinc/44/29/42/555442942.db2.gz MYPVRMFPJUKOSP-XMMPIXPASA-N 1 2 458.610 5.122 40 0 JKABLO CCC[C@H](c1nnnn1C(C)(C)C)[N@H+](Cc1ccc(OC)cc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013500718 555442998 /nfs/dbraw/zinc/44/29/98/555442998.db2.gz BTZBLPZFNIZAGC-XMMPIXPASA-N 1 2 488.636 5.130 40 0 JKABLO CCC[C@H](c1nnnn1C(C)(C)C)[N@@H+](Cc1ccc(OC)cc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013500718 555442999 /nfs/dbraw/zinc/44/29/99/555442999.db2.gz BTZBLPZFNIZAGC-XMMPIXPASA-N 1 2 488.636 5.130 40 0 JKABLO CCC[C@H](c1nnnn1C(C)(C)C)[N@H+](Cc1ccc(F)cc1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013500716 555443017 /nfs/dbraw/zinc/44/30/17/555443017.db2.gz GOTCEENHBPIFIK-XMMPIXPASA-N 1 2 490.627 5.569 40 0 JKABLO CCC[C@H](c1nnnn1C(C)(C)C)[N@@H+](Cc1ccc(F)cc1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013500716 555443021 /nfs/dbraw/zinc/44/30/21/555443021.db2.gz GOTCEENHBPIFIK-XMMPIXPASA-N 1 2 490.627 5.569 40 0 JKABLO CCC[C@@H](c1nnnn1C(C)(C)C)[N@H+](Cc1cccs1)Cc1cc2cc(OCC)ccc2[nH]c1=O ZINC000013500751 555443392 /nfs/dbraw/zinc/44/33/92/555443392.db2.gz MJBBFFQXXNDKBA-QHCPKHFHSA-N 1 2 494.665 5.273 40 0 JKABLO CCC[C@@H](c1nnnn1C(C)(C)C)[N@@H+](Cc1cccs1)Cc1cc2cc(OCC)ccc2[nH]c1=O ZINC000013500751 555443394 /nfs/dbraw/zinc/44/33/94/555443394.db2.gz MJBBFFQXXNDKBA-QHCPKHFHSA-N 1 2 494.665 5.273 40 0 JKABLO CCC[C@H](c1nnnn1C(C)(C)CC)[N@H+](Cc1ccccc1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013500794 555443862 /nfs/dbraw/zinc/44/38/62/555443862.db2.gz GJYVPXGWZQODCB-RUZDIDTESA-N 1 2 486.664 5.820 40 0 JKABLO CCC[C@H](c1nnnn1C(C)(C)CC)[N@@H+](Cc1ccccc1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013500794 555443864 /nfs/dbraw/zinc/44/38/64/555443864.db2.gz GJYVPXGWZQODCB-RUZDIDTESA-N 1 2 486.664 5.820 40 0 JKABLO CCC[C@@H](c1nnnn1Cc1ccco1)[N@H+](Cc1ccc(C)cc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013500821 555444263 /nfs/dbraw/zinc/44/42/63/555444263.db2.gz MZDIUCHAERVJIJ-MHZLTWQESA-N 1 2 496.615 5.316 40 0 JKABLO CCC[C@@H](c1nnnn1Cc1ccco1)[N@@H+](Cc1ccc(C)cc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013500821 555444265 /nfs/dbraw/zinc/44/42/65/555444265.db2.gz MZDIUCHAERVJIJ-MHZLTWQESA-N 1 2 496.615 5.316 40 0 JKABLO CCC[C@@H](c1nnnn1C(C)(C)CC)[N@H+](Cc1ccc(C)cc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013500815 555444397 /nfs/dbraw/zinc/44/43/97/555444397.db2.gz JLUNTAPDHHDZIV-SANMLTNESA-N 1 2 486.664 5.820 40 0 JKABLO CCC[C@@H](c1nnnn1C(C)(C)CC)[N@@H+](Cc1ccc(C)cc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013500815 555444399 /nfs/dbraw/zinc/44/43/99/555444399.db2.gz JLUNTAPDHHDZIV-SANMLTNESA-N 1 2 486.664 5.820 40 0 JKABLO CCC[C@@H](c1nnnn1Cc1ccccc1)[N@H+](Cc1cccs1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013500963 555445858 /nfs/dbraw/zinc/44/58/58/555445858.db2.gz LEJQTQNKHVAQEW-SANMLTNESA-N 1 2 498.656 5.476 40 0 JKABLO CCC[C@@H](c1nnnn1Cc1ccccc1)[N@@H+](Cc1cccs1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013500963 555445863 /nfs/dbraw/zinc/44/58/63/555445863.db2.gz LEJQTQNKHVAQEW-SANMLTNESA-N 1 2 498.656 5.476 40 0 JKABLO CCC[C@@H](c1nnnn1C1CCCCC1)[N@H+](Cc1cccs1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013500961 555445888 /nfs/dbraw/zinc/44/58/88/555445888.db2.gz GDPKUWFMWYBBRM-VWLOTQADSA-N 1 2 490.677 5.933 40 0 JKABLO CCC[C@@H](c1nnnn1C1CCCCC1)[N@@H+](Cc1cccs1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013500961 555445892 /nfs/dbraw/zinc/44/58/92/555445892.db2.gz GDPKUWFMWYBBRM-VWLOTQADSA-N 1 2 490.677 5.933 40 0 JKABLO CCC[C@H](c1nnnn1C(C)(C)CC)[N@H+](Cc1cccs1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013500956 555445978 /nfs/dbraw/zinc/44/59/78/555445978.db2.gz GZJNKGYWKWYICD-HSZRJFAPSA-N 1 2 478.666 5.573 40 0 JKABLO CCC[C@H](c1nnnn1C(C)(C)CC)[N@@H+](Cc1cccs1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013500956 555445981 /nfs/dbraw/zinc/44/59/81/555445981.db2.gz GZJNKGYWKWYICD-HSZRJFAPSA-N 1 2 478.666 5.573 40 0 JKABLO Cc1ccc2[nH]c(=O)c(C[N@H+](Cc3ccco3)C3(c4nnnn4C4CCCC4)CCCC3)cc2c1 ZINC000013501224 555448665 /nfs/dbraw/zinc/44/86/65/555448665.db2.gz JSPKPASIBFMUJT-UHFFFAOYSA-N 1 2 472.593 5.003 40 0 JKABLO Cc1ccc2[nH]c(=O)c(C[N@@H+](Cc3ccco3)C3(c4nnnn4C4CCCC4)CCCC3)cc2c1 ZINC000013501224 555448669 /nfs/dbraw/zinc/44/86/69/555448669.db2.gz JSPKPASIBFMUJT-UHFFFAOYSA-N 1 2 472.593 5.003 40 0 JKABLO Cc1cc(C)c2[nH]c(=O)c(C[N@H+](Cc3ccco3)C3(c4nnnn4C4CCCC4)CCCC3)cc2c1 ZINC000013501225 555448690 /nfs/dbraw/zinc/44/86/90/555448690.db2.gz MRWBAQNJIQYTFO-UHFFFAOYSA-N 1 2 486.620 5.311 40 0 JKABLO Cc1cc(C)c2[nH]c(=O)c(C[N@@H+](Cc3ccco3)C3(c4nnnn4C4CCCC4)CCCC3)cc2c1 ZINC000013501225 555448692 /nfs/dbraw/zinc/44/86/92/555448692.db2.gz MRWBAQNJIQYTFO-UHFFFAOYSA-N 1 2 486.620 5.311 40 0 JKABLO Cc1cccc2cc(C[N@H+](Cc3ccccc3)C3(c4nnnn4C4CCCC4)CCCC3)c(=O)[nH]c12 ZINC000013501220 555448735 /nfs/dbraw/zinc/44/87/35/555448735.db2.gz DNGGAWNNHVZVOK-UHFFFAOYSA-N 1 2 482.632 5.410 40 0 JKABLO Cc1cccc2cc(C[N@@H+](Cc3ccccc3)C3(c4nnnn4C4CCCC4)CCCC3)c(=O)[nH]c12 ZINC000013501220 555448736 /nfs/dbraw/zinc/44/87/36/555448736.db2.gz DNGGAWNNHVZVOK-UHFFFAOYSA-N 1 2 482.632 5.410 40 0 JKABLO O=C(Nc1cc(Cl)cc(Cl)c1)c1ccc(C[NH+]2CCN(Cc3ccccc3)CC2)cc1 ZINC000019879737 555525292 /nfs/dbraw/zinc/52/52/92/555525292.db2.gz JPRZLLMGRAQNDA-UHFFFAOYSA-N 1 2 454.401 5.564 40 0 JKABLO CCOc1cc([C@H]2[C@@H]3CCCC[C@@]3(O)CC[N@@H+]2CC(=O)Nc2ccc(Cl)cc2Cl)ccc1O ZINC000013607449 555531580 /nfs/dbraw/zinc/53/15/80/555531580.db2.gz ZKTHAUVEDZILFI-RIEVBORMSA-N 1 2 493.431 5.405 40 0 JKABLO CCOc1cc([C@H]2[C@@H]3CCCC[C@@]3(O)CC[N@H+]2CC(=O)Nc2ccc(Cl)cc2Cl)ccc1O ZINC000013607449 555531582 /nfs/dbraw/zinc/53/15/82/555531582.db2.gz ZKTHAUVEDZILFI-RIEVBORMSA-N 1 2 493.431 5.405 40 0 JKABLO CC(C)(C)c1ccc(C(=O)Nc2cccc(NC(=O)c3cccc(C[NH+]4CCOCC4)c3)c2)cc1 ZINC000020108900 555644374 /nfs/dbraw/zinc/64/43/74/555644374.db2.gz BLIWCNWWURMABN-UHFFFAOYSA-N 1 2 471.601 5.321 40 0 JKABLO CCOC(=O)c1c(NC(=O)Nc2cccc(Cl)c2)sc2c1CC[N@H+](Cc1ccccc1)C2 ZINC000014162679 555716913 /nfs/dbraw/zinc/71/69/13/555716913.db2.gz FMBDVULHBZYHDG-UHFFFAOYSA-N 1 2 469.994 5.781 40 0 JKABLO CCOC(=O)c1c(NC(=O)Nc2cccc(Cl)c2)sc2c1CC[N@@H+](Cc1ccccc1)C2 ZINC000014162679 555716916 /nfs/dbraw/zinc/71/69/16/555716916.db2.gz FMBDVULHBZYHDG-UHFFFAOYSA-N 1 2 469.994 5.781 40 0 JKABLO O=C(NC12CC3CC(CC(C3)C1)C2)N1CC[NH+](C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000014257327 555756736 /nfs/dbraw/zinc/75/67/36/555756736.db2.gz GALMJVRQHWVEKX-UHFFFAOYSA-N 1 2 465.588 5.350 40 0 JKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)c4ccc(C)cc4)cc3n2)c(C)c1 ZINC000014275837 555782037 /nfs/dbraw/zinc/78/20/37/555782037.db2.gz BXQHSDRQEQDLSR-UHFFFAOYSA-N 1 2 486.645 5.319 40 0 JKABLO Cc1ccc(NC(=O)C2=C(C)n3c4ccccc4[nH+]c3N[C@H]2c2ccc(C(C)C)cc2)c(C)c1 ZINC000020357006 555787190 /nfs/dbraw/zinc/78/71/90/555787190.db2.gz QJGIXEXDXVTBEE-MHZLTWQESA-N 1 2 450.586 6.813 40 0 JKABLO FC(F)Oc1ccc(/N=c2\scc(-c3ccc(Cl)cc3)n2CC[NH+]2CCOCC2)cc1 ZINC000015277266 555892915 /nfs/dbraw/zinc/89/29/15/555892915.db2.gz BIPUCHTTXIKAKZ-ROMGYVFFSA-N 1 2 465.953 5.036 40 0 JKABLO Cc1nc(Nc2ccc(F)cc2)sc1C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000022245976 555896096 /nfs/dbraw/zinc/89/60/96/555896096.db2.gz QLQZEOHRZDLBEY-UHFFFAOYSA-N 1 2 486.616 5.882 40 0 JKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(C(C)(C)C)cc4)cc3n2)cc1 ZINC000022537673 555934155 /nfs/dbraw/zinc/93/41/55/555934155.db2.gz XOVAFHPBCKGZAC-UHFFFAOYSA-N 1 2 455.606 6.125 40 0 JKABLO O=C(Nc1ccc(Cl)cc1)N1Cc2[nH+]c[nH]c2C[C@H]1c1nc(-c2ccc(C(F)(F)F)cc2)no1 ZINC000015675770 555934536 /nfs/dbraw/zinc/93/45/36/555934536.db2.gz IBGQFWMWIVGRLO-SFHVURJKSA-N 1 2 488.857 5.463 40 0 biogenic,in-vitro JKABLO O=C(Nc1ccc(Cl)cc1)N1Cc2[nH]c[nH+]c2C[C@H]1c1nc(-c2ccc(C(F)(F)F)cc2)no1 ZINC000015675770 555934540 /nfs/dbraw/zinc/93/45/40/555934540.db2.gz IBGQFWMWIVGRLO-SFHVURJKSA-N 1 2 488.857 5.463 40 0 biogenic,in-vitro JKABLO O=C(Nc1ccc(Cl)cc1)N1Cc2[nH+]c[nH]c2C[C@H]1c1nc(-c2ccc(Cl)cc2)no1 ZINC000015675860 555934923 /nfs/dbraw/zinc/93/49/23/555934923.db2.gz IXXNDPRSSFOBRG-SFHVURJKSA-N 1 2 455.305 5.098 40 0 biogenic,in-vitro JKABLO O=C(Nc1ccc(Cl)cc1)N1Cc2[nH]c[nH+]c2C[C@H]1c1nc(-c2ccc(Cl)cc2)no1 ZINC000015675860 555934927 /nfs/dbraw/zinc/93/49/27/555934927.db2.gz IXXNDPRSSFOBRG-SFHVURJKSA-N 1 2 455.305 5.098 40 0 biogenic,in-vitro JKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=O)COc4cc(C)cc(C)c4)cc3n2)cc1 ZINC000022564520 555935331 /nfs/dbraw/zinc/93/53/31/555935331.db2.gz LRCANABWTCREAK-UHFFFAOYSA-N 1 2 457.578 5.209 40 0 JKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=O)COc4ccccc4Cl)cc3n2)cc1 ZINC000022572980 555938114 /nfs/dbraw/zinc/93/81/14/555938114.db2.gz VNRQNRAZGFJQMP-UHFFFAOYSA-N 1 2 463.969 5.246 40 0 JKABLO Cc1ccc(NC(=S)N2CC[NH+](C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)c(Cl)c1 ZINC000022707934 555944501 /nfs/dbraw/zinc/94/45/01/555944501.db2.gz PMYRFMKRKMRQKR-UHFFFAOYSA-N 1 2 472.004 6.031 40 0 JKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)c4ccc(C)cc4)cc3n2)cc1 ZINC000022708510 555945092 /nfs/dbraw/zinc/94/50/92/555945092.db2.gz NPXKVANYKQPBMC-UHFFFAOYSA-N 1 2 472.618 5.010 40 0 JKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=O)COc4cc(C)ccc4C(C)C)cc3n2)cc1 ZINC000022743241 555949903 /nfs/dbraw/zinc/94/99/03/555949903.db2.gz BACHNABWQXUKCN-UHFFFAOYSA-N 1 2 485.632 6.024 40 0 JKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=O)c4sc5ccccc5c4Cl)cc3n2)cc1 ZINC000022748235 555951708 /nfs/dbraw/zinc/95/17/08/555951708.db2.gz ZQEHLPHTYYYWLZ-UHFFFAOYSA-N 1 2 490.032 6.696 40 0 JKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=O)COc4ccc(Cl)cc4Cl)cc3n2)cc1 ZINC000022818647 555955051 /nfs/dbraw/zinc/95/50/51/555955051.db2.gz BPRPJZVKEFASBP-UHFFFAOYSA-N 1 2 498.414 5.899 40 0 JKABLO C[C@H](Nc1nc(N2CCN(C(=O)c3cccc(Cl)c3)CC2)[nH+]c2ccccc21)c1ccccc1 ZINC000016576957 556145238 /nfs/dbraw/zinc/14/52/38/556145238.db2.gz LJSSMVSAPKQHSO-IBGZPJMESA-N 1 2 471.992 5.419 40 0 JKABLO C[C@@H](Nc1nc(N2CCN(C(=O)c3cccc(Cl)c3)CC2)[nH+]c2ccccc21)c1ccccc1 ZINC000016576954 556145250 /nfs/dbraw/zinc/14/52/50/556145250.db2.gz LJSSMVSAPKQHSO-LJQANCHMSA-N 1 2 471.992 5.419 40 0 JKABLO COc1ccc(Nc2[nH+]cnc3c2c(-c2ccccc2)cn3-c2cccc(C(F)(F)F)c2)cc1C ZINC000016712861 556154412 /nfs/dbraw/zinc/15/44/12/556154412.db2.gz QKBHWWKQXDUESH-UHFFFAOYSA-N 1 2 474.486 7.167 40 0 JKABLO CCOC(=O)C[C@@H](CC)Sc1[nH+]cnc2c1c(-c1ccccc1)cn2-c1ccc(OCC)cc1 ZINC000016757524 556157769 /nfs/dbraw/zinc/15/77/69/556157769.db2.gz LUEIXVQSUXIXDM-JOCHJYFZSA-N 1 2 475.614 6.310 40 0 JKABLO O=C(CSc1[nH+]cnc2c1c(-c1ccccc1)cn2-c1ccccc1)OCc1ccccc1 ZINC000016757637 556157776 /nfs/dbraw/zinc/15/77/76/556157776.db2.gz AJKRXNUBYSECFN-UHFFFAOYSA-N 1 2 451.551 5.923 40 0 JKABLO Cc1ccccc1CSc1[nH+]cnc2c1c(-c1ccccc1)cn2-c1ccc(Br)cc1 ZINC000016757981 556158096 /nfs/dbraw/zinc/15/80/96/556158096.db2.gz YYXJCOWTNSLBCT-UHFFFAOYSA-N 1 2 486.438 7.451 40 0 JKABLO COC(=O)[C@@H](C)Sc1[nH+]cnc2c1c(-c1ccccc1)cn2-c1ccc(Br)cc1 ZINC000016757947 556158100 /nfs/dbraw/zinc/15/81/00/556158100.db2.gz FMTSVVRKUALFFY-CQSZACIVSA-N 1 2 468.376 5.504 40 0 JKABLO CC(=O)C[C@H](C)Sc1[nH+]cnc2c1c(-c1ccccc1)cn2-c1ccc(Br)cc1 ZINC000016758011 556158122 /nfs/dbraw/zinc/15/81/22/556158122.db2.gz VCFCDKMIIAKVOX-INIZCTEOSA-N 1 2 466.404 6.310 40 0 JKABLO CC[C@@H](Sc1[nH+]cnc2c1c(-c1ccccc1)cn2-c1ccc(C)c(Cl)c1)C(=O)OC ZINC000016758047 556158430 /nfs/dbraw/zinc/15/84/30/556158430.db2.gz KUJRNQHSLRKJDU-HXUWFJFHSA-N 1 2 451.979 6.093 40 0 JKABLO CCOC(=O)[C@@H](CC)Sc1[nH+]cnc2c1c(-c1ccccc1)cn2-c1ccc(C)c(Cl)c1 ZINC000016758058 556158434 /nfs/dbraw/zinc/15/84/34/556158434.db2.gz MQJXYFYMQIZUPU-OAQYLSRUSA-N 1 2 466.006 6.483 40 0 JKABLO COc1ccc(CN2CCC[N@H+](Cc3ccc(OC)cc3)C2Cc2cc(Cl)ccc2OC)cc1 ZINC000019326883 556341690 /nfs/dbraw/zinc/34/16/90/556341690.db2.gz YQUHLMXFIQODFQ-UHFFFAOYSA-N 1 2 481.036 5.643 40 0 JKABLO COc1ccc(CN2CCC[N@@H+](Cc3ccc(OC)cc3)C2Cc2cc(Cl)ccc2OC)cc1 ZINC000019326883 556341695 /nfs/dbraw/zinc/34/16/95/556341695.db2.gz YQUHLMXFIQODFQ-UHFFFAOYSA-N 1 2 481.036 5.643 40 0 JKABLO c1ccc(CSc2nc3c(c(SCc4ccccc4)n2)C[N@H+](Cc2ccccc2)CC3)cc1 ZINC000031659547 556401154 /nfs/dbraw/zinc/40/11/54/556401154.db2.gz FACHDVGPWQVSBI-UHFFFAOYSA-N 1 2 469.679 6.620 40 0 JKABLO c1ccc(CSc2nc3c(c(SCc4ccccc4)n2)C[N@@H+](Cc2ccccc2)CC3)cc1 ZINC000031659547 556401158 /nfs/dbraw/zinc/40/11/58/556401158.db2.gz FACHDVGPWQVSBI-UHFFFAOYSA-N 1 2 469.679 6.620 40 0 JKABLO C[C@@]1(O)CC[N@H+](Cc2cc(-c3ccccc3)no2)[C@@H](c2cccs2)[C@@H]1NC(=O)c1ccc(F)cc1 ZINC000514290386 560029681 /nfs/dbraw/zinc/02/96/81/560029681.db2.gz ZUYWKNUNRPDOIB-OHSXHVKISA-N 1 2 491.588 5.039 40 0 biogenic,in-vitro JKABLO C[C@@]1(O)CC[N@@H+](Cc2cc(-c3ccccc3)no2)[C@@H](c2cccs2)[C@@H]1NC(=O)c1ccc(F)cc1 ZINC000514290386 560029682 /nfs/dbraw/zinc/02/96/82/560029682.db2.gz ZUYWKNUNRPDOIB-OHSXHVKISA-N 1 2 491.588 5.039 40 0 biogenic,in-vitro JKABLO CC[C@H](c1nnnn1C1CCCC1)[N@H+](Cc1cccs1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000008582662 562939845 /nfs/dbraw/zinc/93/98/45/562939845.db2.gz FKIJJURFHQMUJL-HSZRJFAPSA-N 1 2 462.623 5.153 40 0 JKABLO CC[C@H](c1nnnn1C1CCCC1)[N@@H+](Cc1cccs1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000008582662 562939846 /nfs/dbraw/zinc/93/98/46/562939846.db2.gz FKIJJURFHQMUJL-HSZRJFAPSA-N 1 2 462.623 5.153 40 0 JKABLO COc1ccc(C2=[NH+][C@@H](c3ccc(Cl)cc3)[C@@H](c3ccc(Cl)cc3)N2)c(OC(C)C)c1 ZINC000033821372 563110978 /nfs/dbraw/zinc/11/09/78/563110978.db2.gz YRGSRFXZNYCJNK-PSWAGMNNSA-N 1 2 455.385 6.622 40 0 JKABLO CC[NH+](CC)c1ccc(-n2c(C)cc(C=C3C(=O)NC(=O)N(Cc4ccco4)C3=O)c2C)cc1 ZINC000033429442 569626240 /nfs/dbraw/zinc/62/62/40/569626240.db2.gz ILCMEGQPSTYLRD-HZHRSRAPSA-N 1 2 460.534 5.036 40 0 JKABLO O=C1C[C@@H](c2ccc(Br)cc2)[NH2+][C@@H](c2ccc(Br)cc2)[C@H]1c1ccccc1 ZINC000033901423 569637132 /nfs/dbraw/zinc/63/71/32/569637132.db2.gz GWXVHIWWZSJFAP-PMVMPFDFSA-N 1 2 485.219 6.340 40 0 JKABLO Cc1cc(C)c2cc(C[N@@H+](C[C@H]3CCCO3)[C@@H](c3nnnn3C3CCCCC3)C(C)C)c(=O)[nH]c2c1 ZINC000033937253 569638657 /nfs/dbraw/zinc/63/86/57/569638657.db2.gz KAJRDQYTUXNHJB-ZEQKJWHPSA-N 1 2 492.668 5.015 40 0 JKABLO Cc1cc(C)c2cc(C[N@H+](C[C@H]3CCCO3)[C@@H](c3nnnn3C3CCCCC3)C(C)C)c(=O)[nH]c2c1 ZINC000033937253 569638658 /nfs/dbraw/zinc/63/86/58/569638658.db2.gz KAJRDQYTUXNHJB-ZEQKJWHPSA-N 1 2 492.668 5.015 40 0 JKABLO CC(C)(C)OC(=O)N1CCN(c2[nH+]cccc2[C@H]2CCCCN2C(=O)OCc2ccccc2)CC1 ZINC000072216493 569700557 /nfs/dbraw/zinc/70/05/57/569700557.db2.gz QHZLQEAVCLNCFY-HSZRJFAPSA-N 1 2 480.609 5.003 40 0 JKABLO O=C(OC(C(F)(F)F)C(F)(F)F)N1CC[NH+](Cc2cccc(Oc3ccccc3)c2)CC1 ZINC000095705051 569728583 /nfs/dbraw/zinc/72/85/83/569728583.db2.gz AVSCNEOUWSVZEY-UHFFFAOYSA-N 1 2 462.390 5.226 40 0 in-vitro JKABLO CN(C)c1ccc(-c2[nH+]c3n(c2NC(C)(C)C)CCN(C(=O)Nc2ccccc2F)C3)cc1 ZINC000100473363 569761827 /nfs/dbraw/zinc/76/18/27/569761827.db2.gz WRZIKNLMHBWWRA-UHFFFAOYSA-N 1 2 450.562 5.013 40 0 JKABLO COc1ccc([C@H]2[NH2+][C@H](c3ccc(OC)cc3)[C@H](c3ccccc3)C(=O)[C@@H]2c2ccccc2)cc1 ZINC000101163788 569785175 /nfs/dbraw/zinc/78/51/75/569785175.db2.gz VSSKKPICNJFIMN-GOGZTAQTSA-N 1 2 463.577 6.226 40 0 JKABLO COc1ccc2c(c1)C[N@H+]([C@H](C)[C@H]1CC[C@H]3[C@@H]4CC[C@@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]13C)CO2 ZINC000118915652 569863047 /nfs/dbraw/zinc/86/30/47/569863047.db2.gz JVEDHWWWBFCUKI-JAHBMPLVSA-N 1 2 467.694 6.255 40 0 in-vitro JKABLO COc1ccc2c(c1)C[N@@H+]([C@H](C)[C@H]1CC[C@H]3[C@@H]4CC[C@@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]13C)CO2 ZINC000118915652 569863048 /nfs/dbraw/zinc/86/30/48/569863048.db2.gz JVEDHWWWBFCUKI-JAHBMPLVSA-N 1 2 467.694 6.255 40 0 in-vitro JKABLO C[NH+](C)c1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccc2)cc1 ZINC000223394404 569909783 /nfs/dbraw/zinc/90/97/83/569909783.db2.gz YBZLLQJRMOXPLY-CLJLJLNGSA-N 1 2 453.615 5.111 40 0 JKABLO COc1ccc(CN2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc([NH+](C)C)cc2)cc1 ZINC000223430800 569911187 /nfs/dbraw/zinc/91/11/87/569911187.db2.gz DZAMDPOJVJPYNP-SVBPBHIXSA-N 1 2 483.641 5.120 40 0 JKABLO CN(C)c1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2ccc([NH+](C)C)cc2)cc1 ZINC000223905399 569926852 /nfs/dbraw/zinc/92/68/52/569926852.db2.gz FLACIWSKONIODM-RRPNLBNLSA-N 1 2 482.657 5.181 40 0 JKABLO COc1ccc(C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)cc1COc1ccc(Cl)c(C)c1 ZINC000224212198 569936730 /nfs/dbraw/zinc/93/67/30/569936730.db2.gz SLUZVOFYCYFOEJ-RMKNXTFCSA-N 1 2 491.031 5.707 40 0 JKABLO Cc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2ccc([NH+](C)C)cc2)c1 ZINC000224242866 569937828 /nfs/dbraw/zinc/93/78/28/569937828.db2.gz YWKIKHHRBQTOSE-CLJLJLNGSA-N 1 2 453.615 5.424 40 0 JKABLO COc1ccc(C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)cc1COc1cc(C)cc(C)c1C ZINC000224284220 569939321 /nfs/dbraw/zinc/93/93/21/569939321.db2.gz DUVLIRVYBCSDCZ-DHZHZOJOSA-N 1 2 484.640 5.671 40 0 JKABLO Cc1cc(C)cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2ccc([NH+](C)C)cc2)c1 ZINC000224310815 569940026 /nfs/dbraw/zinc/94/00/26/569940026.db2.gz LTEYEPSQPGZEOR-KAYWLYCHSA-N 1 2 467.642 5.732 40 0 JKABLO COc1ccc(C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)cc1CSc1ccccc1 ZINC000224332013 569940945 /nfs/dbraw/zinc/94/09/45/569940945.db2.gz PKEIFMUDKDTQES-DHZHZOJOSA-N 1 2 458.627 5.459 40 0 JKABLO COc1ccc(C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)cc1CSc1ccc(Cl)cc1 ZINC000224392360 569943099 /nfs/dbraw/zinc/94/30/99/569943099.db2.gz GTULSHLKHJFVSO-VMPITWQZSA-N 1 2 493.072 6.112 40 0 JKABLO C[NH+](C)c1ccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2F)cc1 ZINC000224440365 569944655 /nfs/dbraw/zinc/94/46/55/569944655.db2.gz BIOOQQXQUZYMON-RPBOFIJWSA-N 1 2 457.578 5.255 40 0 JKABLO CCOc1ccc(C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)cc1COc1cccc(Cl)c1 ZINC000224495084 569946316 /nfs/dbraw/zinc/94/63/16/569946316.db2.gz WIBFJMOHVISPQN-JXMROGBWSA-N 1 2 491.031 5.789 40 0 JKABLO COc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2ccc([NH+](C)C)cc2)c1 ZINC000224540142 569947683 /nfs/dbraw/zinc/94/76/83/569947683.db2.gz VFAJOZFUERXNHI-CLJLJLNGSA-N 1 2 469.614 5.124 40 0 JKABLO COc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc([NH+](C)C)cc2)c1 ZINC000224540044 569947688 /nfs/dbraw/zinc/94/76/88/569947688.db2.gz VFAJOZFUERXNHI-FTJBHMTQSA-N 1 2 469.614 5.124 40 0 JKABLO CCOc1ccc(C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)cc1COc1cccc(OC)c1 ZINC000224594309 569949890 /nfs/dbraw/zinc/94/98/90/569949890.db2.gz XOOMXWCWCQCFFR-DHZHZOJOSA-N 1 2 486.612 5.144 40 0 JKABLO CCOc1ccc(C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)cc1COc1ccc(C)c(C)c1 ZINC000224627130 569951401 /nfs/dbraw/zinc/95/14/01/569951401.db2.gz LIINRKZDURYVCV-DHZHZOJOSA-N 1 2 484.640 5.752 40 0 JKABLO CCOc1ccc(C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)cc1COCc1ccccc1 ZINC000224753768 569956126 /nfs/dbraw/zinc/95/61/26/569956126.db2.gz NVOVCUQJLLHYPU-NTEUORMPSA-N 1 2 470.613 5.273 40 0 JKABLO COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc([NH+](C)C)cc2)c(OC)c1 ZINC000224814255 569958779 /nfs/dbraw/zinc/95/87/79/569958779.db2.gz XBMYQHFUFQKGGK-SXOMAYOGSA-N 1 2 499.640 5.133 40 0 JKABLO C[NH+](C)c1ccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2O)cc1 ZINC000224876793 569961327 /nfs/dbraw/zinc/96/13/27/569961327.db2.gz QRNZLDSLIPWKOV-DQEYMECFSA-N 1 2 490.032 5.474 40 0 JKABLO Cc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2ccc([NH+](C)C)cc2)ccc1F ZINC000224906183 569962777 /nfs/dbraw/zinc/96/27/77/569962777.db2.gz AHXVNEOYQHKHKY-CLJLJLNGSA-N 1 2 471.605 5.563 40 0 JKABLO Cc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc([NH+](C)C)cc2)ccc1F ZINC000224906072 569962781 /nfs/dbraw/zinc/96/27/81/569962781.db2.gz AHXVNEOYQHKHKY-UIOOFZCWSA-N 1 2 471.605 5.563 40 0 JKABLO O=C(c1ccccc1-c1ncc(-c2ccc(F)cc2)o1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000224928898 569963676 /nfs/dbraw/zinc/96/36/76/569963676.db2.gz LJNYLOYPMPEPNG-RMKNXTFCSA-N 1 2 467.544 5.619 40 0 JKABLO CSc1ccc(S(=O)(=O)Nc2ccc([NH+]3CCCCC3)cc2)cc1C(=O)N1CCC(C)CC1 ZINC000224963995 569965497 /nfs/dbraw/zinc/96/54/97/569965497.db2.gz NLHIEMSBZFHAJP-UHFFFAOYSA-N 1 2 487.691 5.072 40 0 JKABLO CSc1ccc(S(=O)(=O)Nc2ccc([NH+]3CCCCC3)cc2)cc1C(=O)N1CCCCCC1 ZINC000224964039 569965523 /nfs/dbraw/zinc/96/55/23/569965523.db2.gz YDWORBVKAFWAPR-UHFFFAOYSA-N 1 2 487.691 5.216 40 0 JKABLO Cc1ccc(COc2cccc([C@H]3C(C(=O)Nc4ccc(Cl)cc4)=C(C)[NH+]=C4N=CNN43)c2)cc1 ZINC000408627879 569981286 /nfs/dbraw/zinc/98/12/86/569981286.db2.gz QTZDWYVWOBLQQL-VWLOTQADSA-N 1 2 485.975 5.399 40 0 JKABLO CC(C)Oc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2ccc([NH+](C)C)cc2)cc1 ZINC000225350686 569992171 /nfs/dbraw/zinc/99/21/71/569992171.db2.gz NOQGBVOBOVFDDE-VSGBNLITSA-N 1 2 497.668 5.903 40 0 JKABLO O=C(COC(=O)C[NH+](Cc1ccccc1)Cc1ccccc1)Nc1cc(Cl)ccc1Cl ZINC000408668448 570005926 /nfs/dbraw/zinc/00/59/26/570005926.db2.gz LLXDRBXNVTXAFY-UHFFFAOYSA-N 1 2 457.357 5.178 40 0 JKABLO Cc1ccc(-c2nnsc2C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000225775581 570020987 /nfs/dbraw/zinc/02/09/87/570020987.db2.gz HLHCMFOHWNETJO-UHFFFAOYSA-N 1 2 454.599 5.061 40 0 JKABLO Cc1cc(C)cc(-n2c3nn(C[N@@H+]4CCC[C@@H]5CCCC[C@H]54)c(=S)n3c3ccccc3c2=O)c1 ZINC000245237517 570057227 /nfs/dbraw/zinc/05/72/27/570057227.db2.gz LPLRCMBVUMISMH-NZQKXSOJSA-N 1 2 473.646 5.398 40 0 JKABLO Cc1cc(C)cc(-n2c3nn(C[N@H+]4CCC[C@@H]5CCCC[C@H]54)c(=S)n3c3ccccc3c2=O)c1 ZINC000245237517 570057228 /nfs/dbraw/zinc/05/72/28/570057228.db2.gz LPLRCMBVUMISMH-NZQKXSOJSA-N 1 2 473.646 5.398 40 0 JKABLO C[NH+](C)c1ccc(-n2cccc2/C=C2\SC(=O)N(Cc3ccc(Br)cc3)C2=O)cc1 ZINC000408960875 570085921 /nfs/dbraw/zinc/08/59/21/570085921.db2.gz PCYDCSVPPAKCHZ-STZFKDTASA-N 1 2 482.403 5.542 40 0 JKABLO C=C1[NH+]=C(SCc2cccc(F)c2)N[C@@H](c2cccc(Cl)c2Cl)C1C(=O)OCC ZINC000408989107 570093412 /nfs/dbraw/zinc/09/34/12/570093412.db2.gz JXCZMPIRYAQIQI-IBGZPJMESA-N 1 2 453.366 5.903 40 0 JKABLO C=C1[NH+]=C(SCC(=O)Nc2ccccc2)N[C@@H](c2cccc(Cl)c2Cl)C1C(=O)OCC ZINC000408991593 570094251 /nfs/dbraw/zinc/09/42/51/570094251.db2.gz QQHSHHUFAOVZJI-FQEVSTJZSA-N 1 2 478.401 5.203 40 0 JKABLO CC[C@@H](c1nnnn1C1CCCCC1)[N@@H+](Cc1cc2c(C)ccc(C)c2[nH]c1=O)C[C@H]1CCCO1 ZINC000253500349 570101561 /nfs/dbraw/zinc/10/15/61/570101561.db2.gz FKJCIOXKIQCYKH-VWNXMTODSA-N 1 2 478.641 5.181 40 0 JKABLO CC[C@@H](c1nnnn1C1CCCCC1)[N@H+](Cc1cc2c(C)ccc(C)c2[nH]c1=O)C[C@H]1CCCO1 ZINC000253500349 570101562 /nfs/dbraw/zinc/10/15/62/570101562.db2.gz FKJCIOXKIQCYKH-VWNXMTODSA-N 1 2 478.641 5.181 40 0 JKABLO CCC[C@H](c1nnnn1C1CCCCC1)[N@@H+](Cc1cc2cc(C)cc(C)c2[nH]c1=O)C[C@H]1CCCO1 ZINC000253500392 570101729 /nfs/dbraw/zinc/10/17/29/570101729.db2.gz JHQUTYYNFHTTEN-JWQCQUIFSA-N 1 2 492.668 5.571 40 0 JKABLO CCC[C@H](c1nnnn1C1CCCCC1)[N@H+](Cc1cc2cc(C)cc(C)c2[nH]c1=O)C[C@H]1CCCO1 ZINC000253500392 570101730 /nfs/dbraw/zinc/10/17/30/570101730.db2.gz JHQUTYYNFHTTEN-JWQCQUIFSA-N 1 2 492.668 5.571 40 0 JKABLO Cc1sc(NC(=O)C[N@H+]2CC[C@@](O)(CC(C)C)[C@@H](Oc3ccc(F)cc3)C2)nc1-c1ccccc1 ZINC000257200040 570107711 /nfs/dbraw/zinc/10/77/11/570107711.db2.gz ABTQKIAAODHAFE-WNCULLNHSA-N 1 2 497.636 5.127 40 0 JKABLO Cc1sc(NC(=O)C[N@@H+]2CC[C@@](O)(CC(C)C)[C@@H](Oc3ccc(F)cc3)C2)nc1-c1ccccc1 ZINC000257200040 570107712 /nfs/dbraw/zinc/10/77/12/570107712.db2.gz ABTQKIAAODHAFE-WNCULLNHSA-N 1 2 497.636 5.127 40 0 JKABLO O=C(c1ccc(C[NH+]2CCOCC2)cc1)N1CCCC[C@@H]1c1n[nH]cc1-c1ccc(C(F)(F)F)cc1 ZINC000257204130 570109174 /nfs/dbraw/zinc/10/91/74/570109174.db2.gz ATDILOMCEXAQML-XMMPIXPASA-N 1 2 498.549 5.295 40 0 JKABLO O=C(OCc1ccccc1)N1C[C@@H](O)[C@H]([N@H+](Cc2ccccc2)Cc2ccc(Cl)cc2Cl)C1 ZINC000257211625 570111567 /nfs/dbraw/zinc/11/15/67/570111567.db2.gz BZOYZKFARNGCSC-JWQCQUIFSA-N 1 2 485.411 5.378 40 0 JKABLO O=C(OCc1ccccc1)N1C[C@@H](O)[C@H]([N@@H+](Cc2ccccc2)Cc2ccc(Cl)cc2Cl)C1 ZINC000257211625 570111568 /nfs/dbraw/zinc/11/15/68/570111568.db2.gz BZOYZKFARNGCSC-JWQCQUIFSA-N 1 2 485.411 5.378 40 0 JKABLO Cc1nc(-c2cccc(NC(=O)C[N@H+]3CC[C@@](O)(CC(C)C)[C@@H](Oc4ccc(F)cc4)C3)c2)cs1 ZINC000257217111 570113302 /nfs/dbraw/zinc/11/33/02/570113302.db2.gz CXMXFIFGGJWTEO-AHKZPQOWSA-N 1 2 497.636 5.127 40 0 JKABLO Cc1nc(-c2cccc(NC(=O)C[N@@H+]3CC[C@@](O)(CC(C)C)[C@@H](Oc4ccc(F)cc4)C3)c2)cs1 ZINC000257217111 570113304 /nfs/dbraw/zinc/11/33/04/570113304.db2.gz CXMXFIFGGJWTEO-AHKZPQOWSA-N 1 2 497.636 5.127 40 0 JKABLO O=C(C[C@@]1(COc2ccc(Cl)cc2)C[N@H+](Cc2cccc(Cl)c2)CCO1)N1CCCCC1 ZINC000257218244 570113563 /nfs/dbraw/zinc/11/35/63/570113563.db2.gz DCJKAUKGWKXLLL-VWLOTQADSA-N 1 2 477.432 5.046 40 0 JKABLO O=C(C[C@@]1(COc2ccc(Cl)cc2)C[N@@H+](Cc2cccc(Cl)c2)CCO1)N1CCCCC1 ZINC000257218244 570113564 /nfs/dbraw/zinc/11/35/64/570113564.db2.gz DCJKAUKGWKXLLL-VWLOTQADSA-N 1 2 477.432 5.046 40 0 JKABLO O=C(c1ccccc1Cn1cc[nH+]c1)N1CCC[C@H](c2cccc(Oc3cccc(F)c3)n2)C1 ZINC000257218849 570113807 /nfs/dbraw/zinc/11/38/07/570113807.db2.gz DEPBBOYFOHSCIN-NRFANRHFSA-N 1 2 456.521 5.278 40 0 JKABLO O=C(OCc1ccccc1)N1C[C@@H](O)[C@H]([N@H+](Cc2cccc(Cl)c2)Cc2cccc(F)c2F)C1 ZINC000257225058 570115623 /nfs/dbraw/zinc/11/56/23/570115623.db2.gz FEPWYWYPWKRTAL-DNQXCXABSA-N 1 2 486.946 5.002 40 0 JKABLO O=C(OCc1ccccc1)N1C[C@@H](O)[C@H]([N@@H+](Cc2cccc(Cl)c2)Cc2cccc(F)c2F)C1 ZINC000257225058 570115624 /nfs/dbraw/zinc/11/56/24/570115624.db2.gz FEPWYWYPWKRTAL-DNQXCXABSA-N 1 2 486.946 5.002 40 0 JKABLO Cc1ccc(Oc2cccc([C@@H]3CCCN(C(=O)c4cccc(Cn5cc[nH+]c5)c4)C3)n2)cc1 ZINC000257230310 570117093 /nfs/dbraw/zinc/11/70/93/570117093.db2.gz GBRPXIRCHYWTAK-XMMPIXPASA-N 1 2 452.558 5.447 40 0 JKABLO O=C(c1cccc(Cn2cc[nH+]c2)c1)N1CCC[C@H]1c1n[nH]cc1-c1cccc(C(F)(F)F)c1 ZINC000257259428 570126095 /nfs/dbraw/zinc/12/60/95/570126095.db2.gz KYHLQYHTCLNVFQ-QFIPXVFZSA-N 1 2 465.479 5.318 40 0 JKABLO Cc1cc(Oc2ccc(F)cc2)nc([C@@H]2CCCCN2C(=O)c2ccccc2Cn2cc[nH+]c2)n1 ZINC000257272251 570130325 /nfs/dbraw/zinc/13/03/25/570130325.db2.gz NBQLORHZKMPFGQ-DEOSSOPVSA-N 1 2 471.536 5.329 40 0 JKABLO Cc1[nH]ncc1C[N@H+]1CCC[C@](COc2ccc(Cl)c(C)c2)(CC(=O)N(C)Cc2ccccc2)C1 ZINC000257277563 570131922 /nfs/dbraw/zinc/13/19/22/570131922.db2.gz NYLQAUZIYUQSGH-NDEPHWFRSA-N 1 2 495.067 5.390 40 0 JKABLO Cc1[nH]ncc1C[N@@H+]1CCC[C@](COc2ccc(Cl)c(C)c2)(CC(=O)N(C)Cc2ccccc2)C1 ZINC000257277563 570131923 /nfs/dbraw/zinc/13/19/23/570131923.db2.gz NYLQAUZIYUQSGH-NDEPHWFRSA-N 1 2 495.067 5.390 40 0 JKABLO Cc1ccc(Oc2cc(C)nc([C@@H]3CCCCN3C(=O)c3ccccc3Cn3cc[nH+]c3)n2)cc1 ZINC000257286772 570134623 /nfs/dbraw/zinc/13/46/23/570134623.db2.gz PMZMKTPZEHAEKE-VWLOTQADSA-N 1 2 467.573 5.498 40 0 JKABLO Cc1cc(Oc2ccccc2F)nc([C@H]2CCCCN2C(=O)c2cccc(Cn3cc[nH+]c3)c2)n1 ZINC000257291389 570135993 /nfs/dbraw/zinc/13/59/93/570135993.db2.gz QGTFTNDKFGUHLM-HSZRJFAPSA-N 1 2 471.536 5.329 40 0 JKABLO Cc1cc2ncn(CCC(=O)N3CCC[C@H]3c3cccc(-n4cc[nH+]c4C(C)C)n3)c2cc1C ZINC000257293653 570136518 /nfs/dbraw/zinc/13/65/18/570136518.db2.gz QQOFNQOMTBYUBT-QHCPKHFHSA-N 1 2 456.594 5.111 40 0 JKABLO Cc1cc2ncn(CCC(=O)N3CCC[C@@H]3c3cccc(-n4cc[nH+]c4C(C)C)n3)c2cc1C ZINC000257293652 570136562 /nfs/dbraw/zinc/13/65/62/570136562.db2.gz QQOFNQOMTBYUBT-HSZRJFAPSA-N 1 2 456.594 5.111 40 0 JKABLO COc1ccccc1-c1cccc([C@@H]2CCCN(C(=O)c3cccc(Cn4cc[nH+]c4)c3)C2)n1 ZINC000257302527 570139216 /nfs/dbraw/zinc/13/92/16/570139216.db2.gz SDFPEEQPMTYFJK-HSZRJFAPSA-N 1 2 452.558 5.022 40 0 JKABLO CCCC1=C(C(=O)OCC)[C@H](c2cccc(OCc3cccc4ccccc43)c2)N2NC=NC2=[NH+]1 ZINC000409176507 570156992 /nfs/dbraw/zinc/15/69/92/570156992.db2.gz PNPAXBCECLVGGS-SANMLTNESA-N 1 2 468.557 5.295 40 0 JKABLO CCCC1=C(C(=O)OCC)[C@H](c2cccc(OCc3cccc4ccccc43)c2)N2NC=[NH+]C2=N1 ZINC000409176507 570156994 /nfs/dbraw/zinc/15/69/94/570156994.db2.gz PNPAXBCECLVGGS-SANMLTNESA-N 1 2 468.557 5.295 40 0 JKABLO CCCC1=C(C(=O)OCC)[C@@H](c2cccc(OCc3cccc4ccccc43)c2)N2NC=NC2=[NH+]1 ZINC000409176506 570157050 /nfs/dbraw/zinc/15/70/50/570157050.db2.gz PNPAXBCECLVGGS-AREMUKBSSA-N 1 2 468.557 5.295 40 0 JKABLO CCCC1=C(C(=O)OCC)[C@@H](c2cccc(OCc3cccc4ccccc43)c2)N2NC=[NH+]C2=N1 ZINC000409176506 570157052 /nfs/dbraw/zinc/15/70/52/570157052.db2.gz PNPAXBCECLVGGS-AREMUKBSSA-N 1 2 468.557 5.295 40 0 JKABLO CCCC1=C(C(=O)OCC)[C@@H](c2ccc(OCc3c(Cl)cccc3Cl)cc2)N2NC=NC2=[NH+]1 ZINC000409176948 570157287 /nfs/dbraw/zinc/15/72/87/570157287.db2.gz BYWXMGIKNJKHAX-JOCHJYFZSA-N 1 2 487.387 5.449 40 0 JKABLO CCCC1=C(C(=O)OCC)[C@@H](c2ccc(OCc3c(Cl)cccc3Cl)cc2)N2NC=[NH+]C2=N1 ZINC000409176948 570157288 /nfs/dbraw/zinc/15/72/88/570157288.db2.gz BYWXMGIKNJKHAX-JOCHJYFZSA-N 1 2 487.387 5.449 40 0 JKABLO CCCC1=C(C(=O)OCC)[C@@H](c2ccc(OCc3ccc(Cl)cc3Cl)cc2)N2NC=NC2=[NH+]1 ZINC000409177338 570157528 /nfs/dbraw/zinc/15/75/28/570157528.db2.gz DUASPRWEAMGJQO-JOCHJYFZSA-N 1 2 487.387 5.449 40 0 JKABLO CCCC1=C(C(=O)OCC)[C@@H](c2ccc(OCc3ccc(Cl)cc3Cl)cc2)N2NC=[NH+]C2=N1 ZINC000409177338 570157530 /nfs/dbraw/zinc/15/75/30/570157530.db2.gz DUASPRWEAMGJQO-JOCHJYFZSA-N 1 2 487.387 5.449 40 0 JKABLO CCCC1=C(C(=O)OCC)[C@@H](c2cccc(OCc3c(Cl)cccc3Cl)c2)N2NC=NC2=[NH+]1 ZINC000409179382 570158297 /nfs/dbraw/zinc/15/82/97/570158297.db2.gz MPEFGMZZPLKEIQ-JOCHJYFZSA-N 1 2 487.387 5.449 40 0 JKABLO CCCC1=C(C(=O)OCC)[C@@H](c2cccc(OCc3c(Cl)cccc3Cl)c2)N2NC=[NH+]C2=N1 ZINC000409179382 570158298 /nfs/dbraw/zinc/15/82/98/570158298.db2.gz MPEFGMZZPLKEIQ-JOCHJYFZSA-N 1 2 487.387 5.449 40 0 JKABLO CCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@@H]2c1ccc(-c2ccc(Cl)cc2)o1 ZINC000261361576 570167201 /nfs/dbraw/zinc/16/72/01/570167201.db2.gz ABCCXFIKMSTBIZ-DEOSSOPVSA-O 1 2 493.996 5.466 40 0 JKABLO CCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@H]2c1ccc(-c2ccc(Cl)cc2)o1 ZINC000261361578 570167252 /nfs/dbraw/zinc/16/72/52/570167252.db2.gz ABCCXFIKMSTBIZ-XMMPIXPASA-O 1 2 493.996 5.466 40 0 JKABLO CCCCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@H]2C=Cc1ccc(OC)cc1 ZINC000261362010 570167386 /nfs/dbraw/zinc/16/73/86/570167386.db2.gz BTOSWPXSLUFQAM-HRNYAPDYSA-O 1 2 477.610 5.006 40 0 JKABLO CCOc1ccc2ccccc2c1[C@H]1N(C(=O)CC)c2ccccc2-c2c(=O)[nH]c(SCC)n[n+]21 ZINC000261362430 570167557 /nfs/dbraw/zinc/16/75/57/570167557.db2.gz CYPFFGBLMLUBLP-SANMLTNESA-O 1 2 487.605 5.104 40 0 JKABLO CCCCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N[C@H]2c1cc(Cl)c(O)c(OCC)c1 ZINC000261362836 570167720 /nfs/dbraw/zinc/16/77/20/570167720.db2.gz MQBPKRSPWRAUOE-OAQYLSRUSA-O 1 2 474.006 5.149 40 0 JKABLO CCC(=O)N1c2ccccc2-c2c(=O)[nH]c(SC)n[n+]2[C@H]1c1ccc(-c2ccccc2Cl)o1 ZINC000261362926 570167753 /nfs/dbraw/zinc/16/77/53/570167753.db2.gz FKFNYQBTQJTNAC-QHCPKHFHSA-O 1 2 479.969 5.076 40 0 JKABLO CCCCCCSc1n[n+]2c(c(=O)[nH]1)-c1cc(Br)ccc1N[C@@H]2c1ccc(O)cc1 ZINC000261363204 570167927 /nfs/dbraw/zinc/16/79/27/570167927.db2.gz GKUSCYGHNCNXPD-FQEVSTJZSA-O 1 2 488.431 5.250 40 0 JKABLO COc1cc([C@@H]2Nc3ccccc3-c3c(=O)[nH]c(SCc4ccc(C)cc4)n[n+]32)c(Cl)cc1O ZINC000261363589 570168124 /nfs/dbraw/zinc/16/81/24/570168124.db2.gz HQYRUHGMYXDCKF-HSZRJFAPSA-O 1 2 493.996 5.077 40 0 JKABLO CCCCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@@H]2c1ccc(OC(C)C)cc1 ZINC000261363755 570168158 /nfs/dbraw/zinc/16/81/58/570168158.db2.gz IAYHSUBRWULDBQ-VWLOTQADSA-O 1 2 479.626 5.120 40 0 JKABLO CCCCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@H]2c1ccc(OC(C)C)cc1 ZINC000261363754 570168291 /nfs/dbraw/zinc/16/82/91/570168291.db2.gz IAYHSUBRWULDBQ-RUZDIDTESA-O 1 2 479.626 5.120 40 0 JKABLO CCCCCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@@H]2c1sccc1C ZINC000261364099 570168428 /nfs/dbraw/zinc/16/84/28/570168428.db2.gz JGDDLJRLNQKCOM-QFIPXVFZSA-O 1 2 455.629 5.092 40 0 JKABLO CCC(=O)N1c2ccccc2-c2c(=O)[nH]c(SC)n[n+]2[C@H]1c1ccc(-c2ccc(C)c(Cl)c2)o1 ZINC000261364298 570168440 /nfs/dbraw/zinc/16/84/40/570168440.db2.gz KMWWYXPARHNPEV-DEOSSOPVSA-O 1 2 493.996 5.384 40 0 JKABLO CCCCCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@@H]2c1c(F)cccc1Cl ZINC000261364539 570168548 /nfs/dbraw/zinc/16/85/48/570168548.db2.gz LZUPCGPNQSLSHT-QHCPKHFHSA-O 1 2 488.008 5.515 40 0 JKABLO CCCCCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@@H]2c1ccc(CC)cc1 ZINC000261364455 570168554 /nfs/dbraw/zinc/16/85/54/570168554.db2.gz LQDRFJFWAJSWPP-VWLOTQADSA-O 1 2 463.627 5.285 40 0 JKABLO CCCCCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@H]2c1ccc(CC)cc1 ZINC000261364454 570168597 /nfs/dbraw/zinc/16/85/97/570168597.db2.gz LQDRFJFWAJSWPP-RUZDIDTESA-O 1 2 463.627 5.285 40 0 JKABLO O=c1[nH]c(SCc2ccc(Cl)cc2)n[n+]2c1-c1ccccc1N[C@H]2c1ccc(O)c(Cl)c1 ZINC000261364886 570168752 /nfs/dbraw/zinc/16/87/52/570168752.db2.gz OLWROVUJQYHWJN-OAQYLSRUSA-O 1 2 484.388 5.414 40 0 JKABLO CCCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@@H]2c1ccc(OC)c2ccccc21 ZINC000261364987 570168933 /nfs/dbraw/zinc/16/89/33/570168933.db2.gz PDTZQDBWINOKPJ-SANMLTNESA-O 1 2 487.605 5.104 40 0 JKABLO CCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(=O)CC)[C@@H]2c1ccc(-c2ccc(Cl)cc2)o1 ZINC000261365956 570169220 /nfs/dbraw/zinc/16/92/20/570169220.db2.gz WNNHEAHIHCMXEN-DEOSSOPVSA-O 1 2 493.996 5.466 40 0 JKABLO CCCCOc1ccc2ccccc2c1[C@H]1N(C(C)=O)c2ccccc2-c2c(=O)[nH]c(SC)n[n+]21 ZINC000261365837 570169222 /nfs/dbraw/zinc/16/92/22/570169222.db2.gz VQFPMCCVGSQMAA-SANMLTNESA-O 1 2 487.605 5.104 40 0 JKABLO CCCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@H]2c1cccc(Oc2ccccc2)c1 ZINC000261366231 570169464 /nfs/dbraw/zinc/16/94/64/570169464.db2.gz YECZCHJCYDKLHJ-HHHXNRCGSA-O 1 2 499.616 5.735 40 0 JKABLO CC[C@H](C)Nc1nc(Nc2ccc(Br)c(C(F)(F)F)c2)cc(-c2ccccc2)[nH+]1 ZINC000328963761 570179516 /nfs/dbraw/zinc/17/95/16/570179516.db2.gz BQNSTSKBMBXQFA-ZDUSSCGKSA-N 1 2 465.317 5.723 40 0 JKABLO FC(F)(F)c1cc(Nc2cc(-c3ccccc3)[nH+]c(NC3CCCCC3)n2)ccc1Br ZINC000328966232 570179678 /nfs/dbraw/zinc/17/96/78/570179678.db2.gz CJNGSTDPDUIMPS-UHFFFAOYSA-N 1 2 491.355 6.257 40 0 JKABLO CC(C)Nc1nc(NCc2ccc(Br)cc2)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000328969880 570179835 /nfs/dbraw/zinc/17/98/35/570179835.db2.gz DFKCFTUSQQLEEE-UHFFFAOYSA-N 1 2 481.316 5.081 40 0 JKABLO FC(F)(F)Oc1cccc(-c2cc(NCc3ccc(Cl)cc3)nc(NC3CCCC3)[nH+]2)c1 ZINC000328987046 570180594 /nfs/dbraw/zinc/18/05/94/570180594.db2.gz IAFNWEJOUWLLGB-UHFFFAOYSA-N 1 2 462.903 5.506 40 0 JKABLO CC[C@H](C)Nc1nc(Nc2ccc(C(F)(F)F)cc2C(F)(F)F)cc(-c2ccccc2)[nH+]1 ZINC000328989170 570180765 /nfs/dbraw/zinc/18/07/65/570180765.db2.gz IJNZIXFNEPTCMZ-ZDUSSCGKSA-N 1 2 454.418 5.979 40 0 JKABLO Fc1cc(F)cc(CNc2cc(-c3cccc(OC(F)(F)F)c3)[nH+]c(NC3CCCCC3)n2)c1 ZINC000329005273 570181185 /nfs/dbraw/zinc/18/11/85/570181185.db2.gz KXNMAZICTZLCQY-UHFFFAOYSA-N 1 2 478.465 5.521 40 0 JKABLO CC(C)c1nc(Nc2cccc(Cl)c2)cc(N2CCc3cc(Br)ccc3C2)[nH+]1 ZINC000329009047 570181456 /nfs/dbraw/zinc/18/14/56/570181456.db2.gz LVDCHIKTNIMPOC-UHFFFAOYSA-N 1 2 457.803 6.322 40 0 JKABLO CC(C)c1nc(N2CCc3cc(Br)ccc3C2)cc(Nc2cccc(Cl)c2)[nH+]1 ZINC000329009047 570181457 /nfs/dbraw/zinc/18/14/57/570181457.db2.gz LVDCHIKTNIMPOC-UHFFFAOYSA-N 1 2 457.803 6.322 40 0 JKABLO Fc1ccccc1CNc1cc(-c2cccc(OC(F)(F)F)c2)[nH+]c(NC2CCCCC2)n1 ZINC000329014029 570181625 /nfs/dbraw/zinc/18/16/25/570181625.db2.gz MTYYFDJVBIGZTQ-UHFFFAOYSA-N 1 2 460.475 5.382 40 0 JKABLO CC(C)(C)Nc1nc(Nc2ccc(Br)c(C(F)(F)F)c2)cc(-c2ccccc2)[nH+]1 ZINC000329032804 570182543 /nfs/dbraw/zinc/18/25/43/570182543.db2.gz QPZSSOHPWLWSCD-UHFFFAOYSA-N 1 2 465.317 6.879 40 0 JKABLO CC(C)(C)Nc1nc(Nc2ccc(I)cc2Cl)cc(-c2ccccc2)[nH+]1 ZINC000329066612 570183773 /nfs/dbraw/zinc/18/37/73/570183773.db2.gz YCGDKLPEUCUIHV-UHFFFAOYSA-N 1 2 478.765 6.356 40 0 JKABLO CC[C@H](C)Nc1nc(NCc2ccccc2Br)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000329070303 570183874 /nfs/dbraw/zinc/18/38/74/570183874.db2.gz ZGAAZDWRJRGZNQ-AWEZNQCLSA-N 1 2 495.343 5.471 40 0 JKABLO CC(C)c1nc(Nc2cccc(Cl)c2)cc(N2CCc3ccc(Br)cc3C2)[nH+]1 ZINC000329072256 570183987 /nfs/dbraw/zinc/18/39/87/570183987.db2.gz ZWOIUPGUAKSRNP-UHFFFAOYSA-N 1 2 457.803 6.322 40 0 JKABLO CC(C)c1nc(N2CCc3ccc(Br)cc3C2)cc(Nc2cccc(Cl)c2)[nH+]1 ZINC000329072256 570183989 /nfs/dbraw/zinc/18/39/89/570183989.db2.gz ZWOIUPGUAKSRNP-UHFFFAOYSA-N 1 2 457.803 6.322 40 0 JKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=O)c4cccc(OCC(C)C)c4)cc3n2)c(C)c1 ZINC000020611088 195184486 /nfs/dbraw/zinc/18/44/86/195184486.db2.gz UOMLOQPCQZJZMW-UHFFFAOYSA-N 1 2 485.632 6.171 40 0 JKABLO CC[C@@H](C)Oc1ccc(C(=O)Nc2cc3nn(-c4ccc([NH+](CC)CC)cc4C)nc3cc2C)cc1 ZINC000020611091 195184681 /nfs/dbraw/zinc/18/46/81/195184681.db2.gz OUTOXYFLTXJGIT-OAQYLSRUSA-N 1 2 485.632 6.313 40 0 JKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=O)c4cccc(Cl)c4Cl)cc3n2)c(C)c1 ZINC000020611059 195184688 /nfs/dbraw/zinc/18/46/88/195184688.db2.gz AJJBLURIRBHBSF-UHFFFAOYSA-N 1 2 482.415 6.443 40 0 JKABLO CC[C@@H](C)Oc1cccc(C(=O)Nc2cc3nn(-c4ccc([NH+](CC)CC)cc4C)nc3cc2C)c1 ZINC000020611089 195184696 /nfs/dbraw/zinc/18/46/96/195184696.db2.gz YJFBLROLGNTWGU-OAQYLSRUSA-N 1 2 485.632 6.313 40 0 JKABLO CSc1ccc([C@H]2C(C(=O)Nc3ccc(Cl)cc3)=C(C)Nc3[nH+]c4ccccc4n32)cc1 ZINC000020797415 195225973 /nfs/dbraw/zinc/22/59/73/195225973.db2.gz PCTODBIPCONZAD-QHCPKHFHSA-N 1 2 460.990 6.339 40 0 JKABLO CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@H](c2cccc(Br)c2)n2c3ccccc3[nH+]c2N1 ZINC000020797476 195226006 /nfs/dbraw/zinc/22/60/06/195226006.db2.gz YOGAAMJJXVRUAK-QFIPXVFZSA-N 1 2 493.792 6.380 40 0 JKABLO CC1=C(C(=O)Nc2ccccc2)[C@H](c2cccc(Br)c2)n2c3ccccc3[nH+]c2N1 ZINC000020797292 195226023 /nfs/dbraw/zinc/22/60/23/195226023.db2.gz CJIAOBYMCLBOSF-QFIPXVFZSA-N 1 2 459.347 5.726 40 0 JKABLO CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@@H](c2ccc(C(C)C)cc2)n2c3ccccc3[nH+]c2N1 ZINC000020797395 195226057 /nfs/dbraw/zinc/22/60/57/195226057.db2.gz KQVSMCYCYBTZSA-RUZDIDTESA-N 1 2 456.977 6.741 40 0 JKABLO Cc1ccc(NC(=O)C2=C(C)Nc3[nH+]c4ccccc4n3[C@H]2c2cccc(Br)c2)cc1 ZINC000020797353 195226083 /nfs/dbraw/zinc/22/60/83/195226083.db2.gz LQCHPARGPBJHDT-QHCPKHFHSA-N 1 2 473.374 6.035 40 0 JKABLO CCOc1ccc([C@@H]2C(C(=O)Nc3ccc(Cl)cc3)=C(C)Nc3[nH+]c4ccccc4n32)cc1 ZINC000020797424 195226140 /nfs/dbraw/zinc/22/61/40/195226140.db2.gz PXNUGISTQCRCJS-XMMPIXPASA-N 1 2 458.949 6.016 40 0 JKABLO CCOc1cc([C@H]2C(C(=O)Nc3ccc(C)cc3)=C(C)Nc3[nH+]c4ccccc4n32)ccc1O ZINC000020797383 195226171 /nfs/dbraw/zinc/22/61/71/195226171.db2.gz NDJLFHKIZHJIOK-VWLOTQADSA-N 1 2 454.530 5.377 40 0 JKABLO CCOc1ccc([C@H]2C(C(=O)Nc3ccc(CC)cc3)=C(C)Nc3[nH+]c4ccccc4n32)cc1 ZINC000020970058 195257453 /nfs/dbraw/zinc/25/74/53/195257453.db2.gz SWGLBWWEKQMCGQ-SANMLTNESA-N 1 2 452.558 5.925 40 0 JKABLO CC1=C(C(=O)Nc2ccc(F)cc2)[C@H](c2ccc(Cl)cc2Cl)n2c3ccccc3[nH+]c2N1 ZINC000020969962 195257462 /nfs/dbraw/zinc/25/74/62/195257462.db2.gz SZOSBVIDSUAISA-QFIPXVFZSA-N 1 2 467.331 6.410 40 0 JKABLO CC1=C(C(=O)Nc2cccc(C(F)(F)F)c2)[C@H](c2ccc(Cl)cc2)n2c3ccccc3[nH+]c2N1 ZINC000020970001 195257487 /nfs/dbraw/zinc/25/74/87/195257487.db2.gz QVGSKNJQMQAWAN-QFIPXVFZSA-N 1 2 482.893 6.636 40 0 JKABLO CCOc1ccc([C@H]2C(C(=O)Nc3ccc(OC)cc3)=C(C)Nc3[nH+]c4ccccc4n32)cc1 ZINC000020970257 195257715 /nfs/dbraw/zinc/25/77/15/195257715.db2.gz QOARUNKGEXSOQK-VWLOTQADSA-N 1 2 454.530 5.371 40 0 JKABLO CCc1ccc(NC(=O)C2=C(C)Nc3[nH+]c4ccccc4n3[C@H]2c2cc(OC)ccc2OC)cc1 ZINC000020970199 195257756 /nfs/dbraw/zinc/25/77/56/195257756.db2.gz CLCXASKMAGHQOC-SANMLTNESA-N 1 2 468.557 5.544 40 0 JKABLO CCOc1ccc([C@H]2C(C(=O)Nc3ccccc3OC)=C(C)Nc3[nH+]c4ccccc4n32)cc1 ZINC000020970473 195258166 /nfs/dbraw/zinc/25/81/66/195258166.db2.gz XQXGMQKEZZODNB-VWLOTQADSA-N 1 2 454.530 5.371 40 0 JKABLO CCOc1cc([C@H]2C(C(=O)Nc3ccccc3Cl)=C(C)Nc3[nH+]c4ccccc4n32)ccc1O ZINC000021005521 195265618 /nfs/dbraw/zinc/26/56/18/195265618.db2.gz BHOJTZNKSSFECF-DEOSSOPVSA-N 1 2 474.948 5.722 40 0 JKABLO Cc1ccc2cc([C@H](c3nnnn3C3CCCCC3)[N@H+]3CC=C(c4ccc(F)cc4)CC3)c(=O)[nH]c2c1 ZINC000057589615 195351365 /nfs/dbraw/zinc/35/13/65/195351365.db2.gz JFKYPPAYAIFKQR-HHHXNRCGSA-N 1 2 498.606 5.346 40 0 JKABLO Cc1ccc2cc([C@H](c3nnnn3C3CCCCC3)[N@@H+]3CC=C(c4ccc(F)cc4)CC3)c(=O)[nH]c2c1 ZINC000057589615 195351368 /nfs/dbraw/zinc/35/13/68/195351368.db2.gz JFKYPPAYAIFKQR-HHHXNRCGSA-N 1 2 498.606 5.346 40 0 JKABLO COc1ccc(Cn2nnnc2[C@H](c2ccc(C)cc2)[N@H+]2CC=C(c3ccc(F)cc3)CC2)cc1 ZINC000057613830 195353541 /nfs/dbraw/zinc/35/35/41/195353541.db2.gz IFQOEMCGVFDSAN-MHZLTWQESA-N 1 2 469.564 5.056 40 0 JKABLO COc1ccc(Cn2nnnc2[C@H](c2ccc(C)cc2)[N@@H+]2CC=C(c3ccc(F)cc3)CC2)cc1 ZINC000057613830 195353542 /nfs/dbraw/zinc/35/35/42/195353542.db2.gz IFQOEMCGVFDSAN-MHZLTWQESA-N 1 2 469.564 5.056 40 0 JKABLO CCc1ccc2[nH]c(=O)c(C[N@@H+](Cc3ccc(F)cc3)[C@@H](CC)c3nnnn3C(C)(C)CC)cc2c1 ZINC000057640573 195354122 /nfs/dbraw/zinc/35/41/22/195354122.db2.gz VZXWPWTYEFPAFA-VWLOTQADSA-N 1 2 490.627 5.515 40 0 JKABLO CCc1ccc2[nH]c(=O)c(C[N@H+](Cc3ccc(F)cc3)[C@@H](CC)c3nnnn3C(C)(C)CC)cc2c1 ZINC000057640573 195354124 /nfs/dbraw/zinc/35/41/24/195354124.db2.gz VZXWPWTYEFPAFA-VWLOTQADSA-N 1 2 490.627 5.515 40 0 JKABLO CCc1ccc2[nH]c(=O)c(C[N@@H+](Cc3ccc(C)cc3)[C@@H](CC)c3nnnn3C(C)(C)C)cc2c1 ZINC000057640646 195354151 /nfs/dbraw/zinc/35/41/51/195354151.db2.gz OBCSILAVKKLLTP-VWLOTQADSA-N 1 2 472.637 5.294 40 0 JKABLO CCc1ccc2[nH]c(=O)c(C[N@H+](Cc3ccc(C)cc3)[C@@H](CC)c3nnnn3C(C)(C)C)cc2c1 ZINC000057640646 195354154 /nfs/dbraw/zinc/35/41/54/195354154.db2.gz OBCSILAVKKLLTP-VWLOTQADSA-N 1 2 472.637 5.294 40 0 JKABLO CCc1ccc2[nH]c(=O)c(C[N@@H+](Cc3ccccc3)[C@@H](CC)c3nnnn3C3CCCCC3)cc2c1 ZINC000057640599 195354201 /nfs/dbraw/zinc/35/42/01/195354201.db2.gz ZRJHSSDSKDETIX-MHZLTWQESA-N 1 2 484.648 5.736 40 0 JKABLO CCc1ccc2[nH]c(=O)c(C[N@H+](Cc3ccccc3)[C@@H](CC)c3nnnn3C3CCCCC3)cc2c1 ZINC000057640599 195354204 /nfs/dbraw/zinc/35/42/04/195354204.db2.gz ZRJHSSDSKDETIX-MHZLTWQESA-N 1 2 484.648 5.736 40 0 JKABLO CCc1ccc2[nH]c(=O)c(C[N@@H+](Cc3ccc(C)cc3)[C@@H](CC)c3nnnn3C3CCCC3)cc2c1 ZINC000057640665 195354483 /nfs/dbraw/zinc/35/44/83/195354483.db2.gz JUZIUSDSGVNDCX-MHZLTWQESA-N 1 2 484.648 5.654 40 0 JKABLO CCc1ccc2[nH]c(=O)c(C[N@H+](Cc3ccc(C)cc3)[C@@H](CC)c3nnnn3C3CCCC3)cc2c1 ZINC000057640665 195354487 /nfs/dbraw/zinc/35/44/87/195354487.db2.gz JUZIUSDSGVNDCX-MHZLTWQESA-N 1 2 484.648 5.654 40 0 JKABLO CC[C@H](c1nnnn1C1CCCCC1)[N@H+](Cc1cccs1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000057640749 195354812 /nfs/dbraw/zinc/35/48/12/195354812.db2.gz YOMZAIDIQKFUPG-XMMPIXPASA-N 1 2 476.650 5.543 40 0 JKABLO CC[C@H](c1nnnn1C1CCCCC1)[N@@H+](Cc1cccs1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000057640749 195354814 /nfs/dbraw/zinc/35/48/14/195354814.db2.gz YOMZAIDIQKFUPG-XMMPIXPASA-N 1 2 476.650 5.543 40 0 JKABLO CC[C@H](c1nnnn1C1CCCCC1)[N@H+](Cc1ccccc1)Cc1cc2ccc(OC)cc2[nH]c1=O ZINC000057641127 195354921 /nfs/dbraw/zinc/35/49/21/195354921.db2.gz ANZOGWRLLCDKGB-AREMUKBSSA-N 1 2 486.620 5.182 40 0 JKABLO CC[C@H](c1nnnn1C1CCCCC1)[N@@H+](Cc1ccccc1)Cc1cc2ccc(OC)cc2[nH]c1=O ZINC000057641127 195354925 /nfs/dbraw/zinc/35/49/25/195354925.db2.gz ANZOGWRLLCDKGB-AREMUKBSSA-N 1 2 486.620 5.182 40 0 JKABLO CC[C@@H](c1nnnn1C1CCCC1)[N@H+](Cc1ccc(C)cc1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000057641028 195355235 /nfs/dbraw/zinc/35/52/35/195355235.db2.gz LLLKBVDGSZXLLY-SANMLTNESA-N 1 2 486.620 5.100 40 0 JKABLO CC[C@@H](c1nnnn1C1CCCC1)[N@@H+](Cc1ccc(C)cc1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000057641028 195355237 /nfs/dbraw/zinc/35/52/37/195355237.db2.gz LLLKBVDGSZXLLY-SANMLTNESA-N 1 2 486.620 5.100 40 0 JKABLO CC[C@H](c1nnnn1C(C)(C)CC)[N@H+](Cc1ccc(C)cc1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000057641535 195355442 /nfs/dbraw/zinc/35/54/42/195355442.db2.gz ZSUCWUCRAWPLQF-AREMUKBSSA-N 1 2 486.664 5.738 40 0 JKABLO CC[C@H](c1nnnn1C(C)(C)CC)[N@@H+](Cc1ccc(C)cc1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000057641535 195355445 /nfs/dbraw/zinc/35/54/45/195355445.db2.gz ZSUCWUCRAWPLQF-AREMUKBSSA-N 1 2 486.664 5.738 40 0 JKABLO CC[C@H](c1nnnn1C(C)(C)CC)[N@H+](Cc1ccc(F)cc1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000057641434 195355476 /nfs/dbraw/zinc/35/54/76/195355476.db2.gz KUYKRWRNPXPGTC-RUZDIDTESA-N 1 2 490.627 5.569 40 0 JKABLO CC[C@H](c1nnnn1C(C)(C)CC)[N@@H+](Cc1ccc(F)cc1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000057641434 195355478 /nfs/dbraw/zinc/35/54/78/195355478.db2.gz KUYKRWRNPXPGTC-RUZDIDTESA-N 1 2 490.627 5.569 40 0 JKABLO CC[C@@H](c1nnnn1C(C)(C)CC)[N@H+](Cc1ccccc1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000057641423 195355561 /nfs/dbraw/zinc/35/55/61/195355561.db2.gz FYMFBHCBRKRCSB-VWLOTQADSA-N 1 2 472.637 5.430 40 0 JKABLO CC[C@@H](c1nnnn1C(C)(C)CC)[N@@H+](Cc1ccccc1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000057641423 195355565 /nfs/dbraw/zinc/35/55/65/195355565.db2.gz FYMFBHCBRKRCSB-VWLOTQADSA-N 1 2 472.637 5.430 40 0 JKABLO CC[C@@H](c1nnnn1C1CCCCC1)[N@H+](Cc1cccs1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000057641772 195355958 /nfs/dbraw/zinc/35/59/58/195355958.db2.gz LGKICKJPJCNGCW-VWLOTQADSA-N 1 2 490.677 5.852 40 0 JKABLO CC[C@@H](c1nnnn1C1CCCCC1)[N@@H+](Cc1cccs1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000057641772 195355960 /nfs/dbraw/zinc/35/59/60/195355960.db2.gz LGKICKJPJCNGCW-VWLOTQADSA-N 1 2 490.677 5.852 40 0 JKABLO CC[C@H](c1nnnn1C1CCCC1)[N@H+](Cc1ccccc1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000057641685 195355993 /nfs/dbraw/zinc/35/59/93/195355993.db2.gz CMWPBUMZFNMBGS-AREMUKBSSA-N 1 2 470.621 5.400 40 0 JKABLO CC[C@H](c1nnnn1C1CCCC1)[N@@H+](Cc1ccccc1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000057641685 195355995 /nfs/dbraw/zinc/35/59/95/195355995.db2.gz CMWPBUMZFNMBGS-AREMUKBSSA-N 1 2 470.621 5.400 40 0 JKABLO CC[C@@H](c1nnnn1C(C)(C)CC)[N@H+](Cc1ccccc1)Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000057641983 195356030 /nfs/dbraw/zinc/35/60/30/195356030.db2.gz CMTNUQFSILISHU-DEOSSOPVSA-N 1 2 472.637 5.430 40 0 JKABLO CC[C@@H](c1nnnn1C(C)(C)CC)[N@@H+](Cc1ccccc1)Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000057641983 195356032 /nfs/dbraw/zinc/35/60/32/195356032.db2.gz CMTNUQFSILISHU-DEOSSOPVSA-N 1 2 472.637 5.430 40 0 JKABLO CC[C@H](c1nnnn1C(C)(C)CC)[N@H+](Cc1ccc(C)cc1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000057641838 195356048 /nfs/dbraw/zinc/35/60/48/195356048.db2.gz WFJQYAYZLCZUPA-AREMUKBSSA-N 1 2 486.664 5.738 40 0 JKABLO CC[C@H](c1nnnn1C(C)(C)CC)[N@@H+](Cc1ccc(C)cc1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000057641838 195356051 /nfs/dbraw/zinc/35/60/51/195356051.db2.gz WFJQYAYZLCZUPA-AREMUKBSSA-N 1 2 486.664 5.738 40 0 JKABLO CC[C@H](c1nnnn1Cc1ccccc1)[N@H+](Cc1ccccc1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000057641799 195356060 /nfs/dbraw/zinc/35/60/60/195356060.db2.gz UMXQFZFLECUFRE-MUUNZHRXSA-N 1 2 492.627 5.333 40 0 JKABLO CC[C@H](c1nnnn1Cc1ccccc1)[N@@H+](Cc1ccccc1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000057641799 195356062 /nfs/dbraw/zinc/35/60/62/195356062.db2.gz UMXQFZFLECUFRE-MUUNZHRXSA-N 1 2 492.627 5.333 40 0 JKABLO CC[C@H](c1nnnn1C(C)(C)C)[N@H+](Cc1ccc(C)cc1)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000057642320 195356273 /nfs/dbraw/zinc/35/62/73/195356273.db2.gz LDZFDUPXHSPJNN-XMMPIXPASA-N 1 2 472.637 5.348 40 0 JKABLO CC[C@H](c1nnnn1C(C)(C)C)[N@@H+](Cc1ccc(C)cc1)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000057642320 195356276 /nfs/dbraw/zinc/35/62/76/195356276.db2.gz LDZFDUPXHSPJNN-XMMPIXPASA-N 1 2 472.637 5.348 40 0 JKABLO CC[C@H](c1nnnn1C1CCCCC1)[N@H+](Cc1ccccc1)Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000057642012 195356301 /nfs/dbraw/zinc/35/63/01/195356301.db2.gz QPAAJYNHUVGIJB-AREMUKBSSA-N 1 2 484.648 5.790 40 0 JKABLO CC[C@H](c1nnnn1C1CCCCC1)[N@@H+](Cc1ccccc1)Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000057642012 195356303 /nfs/dbraw/zinc/35/63/03/195356303.db2.gz QPAAJYNHUVGIJB-AREMUKBSSA-N 1 2 484.648 5.790 40 0 JKABLO CC[C@H](c1nnnn1C1CCCCC1)[N@H+](Cc1ccccc1)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000057642205 195356309 /nfs/dbraw/zinc/35/63/09/195356309.db2.gz RDUMLUWFRBBEIN-AREMUKBSSA-N 1 2 484.648 5.790 40 0 JKABLO CC[C@H](c1nnnn1C1CCCCC1)[N@@H+](Cc1ccccc1)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000057642205 195356312 /nfs/dbraw/zinc/35/63/12/195356312.db2.gz RDUMLUWFRBBEIN-AREMUKBSSA-N 1 2 484.648 5.790 40 0 JKABLO CCOc1ccc(OCC(=O)Nc2c[nH+]c(C)n2-c2nc(-c3ccc(Cl)cc3)cs2)cc1 ZINC000041124340 521164848 /nfs/dbraw/zinc/16/48/48/521164848.db2.gz WRBVHXNIAIDDCG-UHFFFAOYSA-N 1 2 468.966 5.374 40 0 JKABLO CCC(C)(C)n1nnnc1[C@@H](C(C)C)[N@H+](Cc1ccc(C)cc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000043755308 521373554 /nfs/dbraw/zinc/37/35/54/521373554.db2.gz HGAGUNQBLPIYIQ-AREMUKBSSA-N 1 2 486.664 5.676 40 0 JKABLO CCC(C)(C)n1nnnc1[C@@H](C(C)C)[N@@H+](Cc1ccc(C)cc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000043755308 521373561 /nfs/dbraw/zinc/37/35/61/521373561.db2.gz HGAGUNQBLPIYIQ-AREMUKBSSA-N 1 2 486.664 5.676 40 0 JKABLO COc1cc(C(=O)Nc2c[nH+]c(C)n2-c2nc(-c3ccc(Cl)cc3)cs2)cc(OC)c1OC ZINC000041124346 522163971 /nfs/dbraw/zinc/16/39/71/522163971.db2.gz POHZSSFJASPLPU-UHFFFAOYSA-N 1 2 484.965 5.236 40 0 JKABLO C[N@@H+]1C[C@@H](NC(=O)c2ccc(-c3ccccc3)cc2)C[C@H]1c1nc(-c2ccc(Cl)cc2)no1 ZINC000020464159 524012658 /nfs/dbraw/zinc/01/26/58/524012658.db2.gz IODQBGLBNJECLJ-GOTSBHOMSA-N 1 2 458.949 5.232 40 0 biogenic,in-vitro JKABLO C[N@H+]1C[C@@H](NC(=O)c2ccc(-c3ccccc3)cc2)C[C@H]1c1nc(-c2ccc(Cl)cc2)no1 ZINC000020464159 524012662 /nfs/dbraw/zinc/01/26/62/524012662.db2.gz IODQBGLBNJECLJ-GOTSBHOMSA-N 1 2 458.949 5.232 40 0 biogenic,in-vitro JKABLO COc1ccc([C@@H]2[NH2+][C@@H](c3ccc(OC)cc3)[C@@H](c3ccccc3)C(=O)[C@@H]2c2ccccc2)cc1 ZINC000019773974 525266741 /nfs/dbraw/zinc/26/67/41/525266741.db2.gz VSSKKPICNJFIMN-XAZDILKDSA-N 1 2 463.577 6.226 40 0 JKABLO CSc1ccc([C@@H]2Nc3[nH+]c4ccccc4n3C(C)=C2C(=O)Nc2ccc(C)cc2C)cc1 ZINC000016284913 526065551 /nfs/dbraw/zinc/06/55/51/526065551.db2.gz PFQYLIOQMZYWSN-VWLOTQADSA-N 1 2 454.599 6.412 40 0 JKABLO O=C(c1ccc(CN2CCCc3ccccc32)cc1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000044880102 526669585 /nfs/dbraw/zinc/66/95/85/526669585.db2.gz UOFZKAGDPJCXTA-UXBLZVDNSA-N 1 2 451.614 5.111 40 0 JKABLO O=C(c1ccc(OCCSc2ccccc2)cc1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000020451621 526707877 /nfs/dbraw/zinc/70/78/77/526707877.db2.gz CQBOJHLBXSFYJK-JXMROGBWSA-N 1 2 458.627 5.329 40 0 JKABLO O=S(=O)(c1ccc(Oc2ccccc2)cc1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000020492851 527279333 /nfs/dbraw/zinc/27/93/33/527279333.db2.gz NVPMNOZGMXWYCR-UHFFFAOYSA-N 1 2 484.621 5.575 40 0 JKABLO Cc1[nH+]cc(NC(=O)c2ccc(Br)o2)n1-c1nc(-c2ccc(Cl)cc2)cs1 ZINC000041124334 527300625 /nfs/dbraw/zinc/30/06/25/527300625.db2.gz GNZGNDFLKBJKOE-UHFFFAOYSA-N 1 2 463.744 5.565 40 0 JKABLO O=C(CSc1[nH+]cnc2c1cnn2-c1ccccc1)Nc1ccccc1Oc1ccccc1 ZINC000000929834 553867735 /nfs/dbraw/zinc/86/77/35/553867735.db2.gz JQDPUZCNZBYZMZ-UHFFFAOYSA-N 1 2 453.527 5.339 40 0 JKABLO COc1ccccc1[C@H]1C(C(=O)Nc2cc(C)cc(Cl)c2C)=C(C)Nc2[nH+]c3ccccc3n21 ZINC000001080709 553905652 /nfs/dbraw/zinc/90/56/52/553905652.db2.gz MZFXMAKZNUQIPB-VWLOTQADSA-N 1 2 472.976 6.243 40 0 JKABLO CC(=O)Nc1sc2c(c1[C@@H](c1ccccn1)[NH+]1CCN(c3ccccc3F)CC1)CCCC2 ZINC000001281002 553939733 /nfs/dbraw/zinc/93/97/33/553939733.db2.gz KXCWDLMKIFINBA-RUZDIDTESA-N 1 2 464.610 5.031 40 0 JKABLO Cc1cc2[nH]c([C@@H]3CCCN(C(=O)Nc4cc(C(F)(F)F)ccc4Cl)C3)[nH+]c2cc1C ZINC000001350302 553955739 /nfs/dbraw/zinc/95/57/39/553955739.db2.gz MSICKTNDRIDZMN-CQSZACIVSA-N 1 2 450.892 6.263 40 0 JKABLO O=C(C[NH+]1CCC(c2nc3ccc(Cl)cc3[nH]2)CC1)Nc1ccc(C2CCCCC2)cc1 ZINC000001358804 553957955 /nfs/dbraw/zinc/95/79/55/553957955.db2.gz BNCJYPVDODSFSJ-UHFFFAOYSA-N 1 2 451.014 6.082 40 0 JKABLO O=C(C[NH+]1CCC(c2nc3cc(Cl)ccc3[nH]2)CC1)Nc1cc(C(F)(F)F)ccc1Cl ZINC000001359107 553958021 /nfs/dbraw/zinc/95/80/21/553958021.db2.gz PLSDGBTYOVHTMU-UHFFFAOYSA-N 1 2 471.310 5.707 40 0 JKABLO CC[C@H](c1nnnn1C1CCCC1)[N@H+](Cc1cccs1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000001374161 553962738 /nfs/dbraw/zinc/96/27/38/553962738.db2.gz DOGDXDBHHNXWKQ-HSZRJFAPSA-N 1 2 462.623 5.153 40 0 JKABLO CC[C@H](c1nnnn1C1CCCC1)[N@@H+](Cc1cccs1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000001374161 553962741 /nfs/dbraw/zinc/96/27/41/553962741.db2.gz DOGDXDBHHNXWKQ-HSZRJFAPSA-N 1 2 462.623 5.153 40 0 JKABLO CC[C@H](c1nnnn1CCc1ccccc1)[N@H+](Cc1ccccc1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000001374329 553962812 /nfs/dbraw/zinc/96/28/12/553962812.db2.gz UBZOBGRUBKIYND-MUUNZHRXSA-N 1 2 492.627 5.219 40 0 JKABLO CC[C@H](c1nnnn1CCc1ccccc1)[N@@H+](Cc1ccccc1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000001374329 553962813 /nfs/dbraw/zinc/96/28/13/553962813.db2.gz UBZOBGRUBKIYND-MUUNZHRXSA-N 1 2 492.627 5.219 40 0 JKABLO CC[C@H](c1nnnn1C(C)(C)C)[N@H+](Cc1ccccc1)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000001375542 553963440 /nfs/dbraw/zinc/96/34/40/553963440.db2.gz KMFLAFGTWZWXEY-HSZRJFAPSA-N 1 2 458.610 5.040 40 0 JKABLO CC[C@H](c1nnnn1C(C)(C)C)[N@@H+](Cc1ccccc1)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000001375542 553963445 /nfs/dbraw/zinc/96/34/45/553963445.db2.gz KMFLAFGTWZWXEY-HSZRJFAPSA-N 1 2 458.610 5.040 40 0 JKABLO CC[C@@H](c1nnnn1C(C)(C)C)[N@H+](Cc1ccccc1)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000001375541 553963537 /nfs/dbraw/zinc/96/35/37/553963537.db2.gz KMFLAFGTWZWXEY-QHCPKHFHSA-N 1 2 458.610 5.040 40 0 JKABLO CC[C@@H](c1nnnn1C(C)(C)C)[N@@H+](Cc1ccccc1)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000001375541 553963541 /nfs/dbraw/zinc/96/35/41/553963541.db2.gz KMFLAFGTWZWXEY-QHCPKHFHSA-N 1 2 458.610 5.040 40 0 JKABLO CC[C@@H](c1nnnn1Cc1ccccc1)[N@H+](Cc1cccs1)Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000001375436 553963652 /nfs/dbraw/zinc/96/36/52/553963652.db2.gz DVYREOGBKKVIEM-VWLOTQADSA-N 1 2 498.656 5.395 40 0 JKABLO CC[C@@H](c1nnnn1Cc1ccccc1)[N@@H+](Cc1cccs1)Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000001375436 553963655 /nfs/dbraw/zinc/96/36/55/553963655.db2.gz DVYREOGBKKVIEM-VWLOTQADSA-N 1 2 498.656 5.395 40 0 JKABLO Cc1ccc(-n2cc(-c3ccc(Cl)cc3)c3c2nc[nH+]c3NNC(=S)NCc2ccccc2)cc1 ZINC000001642614 553981162 /nfs/dbraw/zinc/98/11/62/553981162.db2.gz ZTVMUOPEACFMIT-UHFFFAOYSA-N 1 2 499.043 6.041 40 0 JKABLO CC(C)(C)c1c2c(c(C(C)(C)C)c3c1OC[N@@H+](C1CCCCC1)C3)OCN(Cc1ccccc1)C2 ZINC000001679810 553982438 /nfs/dbraw/zinc/98/24/38/553982438.db2.gz AAHWMUGDRFEQAW-UHFFFAOYSA-N 1 2 476.705 7.118 40 0 JKABLO CC(C)(C)c1c2c(c(C(C)(C)C)c3c1OC[N@H+](C1CCCCC1)C3)OCN(Cc1ccccc1)C2 ZINC000001679810 553982443 /nfs/dbraw/zinc/98/24/43/553982443.db2.gz AAHWMUGDRFEQAW-UHFFFAOYSA-N 1 2 476.705 7.118 40 0 JKABLO COc1ccc([C@H]2[C@@H]3CCCC[C@@]3(O)CC[N@@H+]2CC(=O)Nc2ccc(Cl)cc2Cl)cc1 ZINC000002222623 554101594 /nfs/dbraw/zinc/10/15/94/554101594.db2.gz VVNRXHLRZKJTDX-WDJPJFJCSA-N 1 2 463.405 5.309 40 0 JKABLO COc1ccc([C@H]2[C@@H]3CCCC[C@@]3(O)CC[N@H+]2CC(=O)Nc2ccc(Cl)cc2Cl)cc1 ZINC000002222623 554101596 /nfs/dbraw/zinc/10/15/96/554101596.db2.gz VVNRXHLRZKJTDX-WDJPJFJCSA-N 1 2 463.405 5.309 40 0 JKABLO COc1ccc([C@H]2[C@@H]3CCCC[C@]3(O)CC[N@@H+]2CC(=O)Nc2ccc(Cl)cc2Cl)c(OC)c1 ZINC000002413865 554193946 /nfs/dbraw/zinc/19/39/46/554193946.db2.gz LDXVWFULKHKEMT-LQGLAIQGSA-N 1 2 493.431 5.317 40 0 JKABLO COc1ccc([C@H]2[C@@H]3CCCC[C@]3(O)CC[N@H+]2CC(=O)Nc2ccc(Cl)cc2Cl)c(OC)c1 ZINC000002413865 554193948 /nfs/dbraw/zinc/19/39/48/554193948.db2.gz LDXVWFULKHKEMT-LQGLAIQGSA-N 1 2 493.431 5.317 40 0 JKABLO COc1ccc(CC2=[NH+]CCc3cc(OCc4ccccc4)c(OC)cc32)cc1OCc1ccccc1 ZINC000005439239 554491252 /nfs/dbraw/zinc/49/12/52/554491252.db2.gz CYSTZTLJXONADZ-UHFFFAOYSA-N 1 2 493.603 6.450 40 0 JKABLO COc1ccc(CNc2[nH+]c3ccccc3n2Cc2ccc(C(C)(C)C)cc2)c2c(OC)cccc12 ZINC000006014880 554499897 /nfs/dbraw/zinc/49/98/97/554499897.db2.gz RWEOWRKZVHZTLL-UHFFFAOYSA-N 1 2 479.624 7.165 40 0 JKABLO Cc1cc2cc([C@H](c3nnnn3C3CCCC3)[NH+]3CCC(Cc4ccccc4)CC3)c(=O)[nH]c2cc1C ZINC000006321232 554530903 /nfs/dbraw/zinc/53/09/03/554530903.db2.gz VMLUXNRPWNOTFT-MUUNZHRXSA-N 1 2 496.659 5.291 40 0 JKABLO Cc1cc2cc([C@@H](c3nnnn3C3CCCC3)[NH+]3CCC(Cc4ccccc4)CC3)c(=O)[nH]c2cc1C ZINC000006320994 554530932 /nfs/dbraw/zinc/53/09/32/554530932.db2.gz VMLUXNRPWNOTFT-NDEPHWFRSA-N 1 2 496.659 5.291 40 0 JKABLO Cc1ccc(C)c2[nH]c(=O)c([C@H](c3nnnn3C3CCCC3)[NH+]3CCC(Cc4ccccc4)CC3)cc12 ZINC000006405532 554533506 /nfs/dbraw/zinc/53/35/06/554533506.db2.gz AEFQGNOHBWRAKU-MUUNZHRXSA-N 1 2 496.659 5.291 40 0 JKABLO O=C(O/C(=C\c1[nH+]ccn1Cc1ccccc1Br)c1ccc(F)cc1)c1ccc(F)cc1 ZINC000006446053 554540207 /nfs/dbraw/zinc/54/02/07/554540207.db2.gz KAZCEEMIWTWSRV-HAHDFKILSA-N 1 2 495.323 6.327 40 0 JKABLO CCCOc1ccc(C(=O)Nc2cc3nn(-c4ccc([NH+](CC)CC)cc4C)nc3cc2C)cc1 ZINC000008832207 554725657 /nfs/dbraw/zinc/72/56/57/554725657.db2.gz CZSWANQXPHSXLO-UHFFFAOYSA-N 1 2 471.605 5.925 40 0 JKABLO CCOc1cccc(C(=O)Nc2cc3nn(-c4ccc([NH+](CC)CC)cc4C)nc3cc2C)c1 ZINC000008832221 554725695 /nfs/dbraw/zinc/72/56/95/554725695.db2.gz UEAXCONHLWOTOO-UHFFFAOYSA-N 1 2 457.578 5.535 40 0 JKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=O)c4cc5ccccc5o4)cc3n2)c(C)c1 ZINC000008832209 554725769 /nfs/dbraw/zinc/72/57/69/554725769.db2.gz XXQRLDYGMSVBFM-UHFFFAOYSA-N 1 2 453.546 5.882 40 0 JKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(OCC(C)C)cc4)cc3n2)cc1 ZINC000008832204 554725785 /nfs/dbraw/zinc/72/57/85/554725785.db2.gz FGGKWGJYCSJNCT-UHFFFAOYSA-N 1 2 471.605 5.862 40 0 JKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)c4ccccc4F)cc3n2)c(C)c1 ZINC000008835489 554734582 /nfs/dbraw/zinc/73/45/82/554734582.db2.gz BWTOOKMESVCYSW-UHFFFAOYSA-N 1 2 490.608 5.149 40 0 JKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=O)c4cccc5c(Cl)cccc45)cc3n2)c(C)c1 ZINC000008900425 554792964 /nfs/dbraw/zinc/79/29/64/554792964.db2.gz HTYKTVXBRDDDEI-UHFFFAOYSA-N 1 2 498.030 6.942 40 0 JKABLO O=C(C[N@@H+]1CC[C@@]2(O)CCCC[C@@H]2[C@H]1c1ccc2c(c1)OCO2)Nc1ccc(Cl)cc1Cl ZINC000009159292 554948938 /nfs/dbraw/zinc/94/89/38/554948938.db2.gz JIJIPXXOLJEYFK-VEYWIMSWSA-N 1 2 477.388 5.029 40 0 JKABLO O=C(C[N@H+]1CC[C@@]2(O)CCCC[C@@H]2[C@H]1c1ccc2c(c1)OCO2)Nc1ccc(Cl)cc1Cl ZINC000009159292 554948940 /nfs/dbraw/zinc/94/89/40/554948940.db2.gz JIJIPXXOLJEYFK-VEYWIMSWSA-N 1 2 477.388 5.029 40 0 JKABLO CCOc1ccc2[nH]c(=O)c(C[N@H+](Cc3ccc(C)cc3)[C@H](CC)c3nnnn3C(C)(C)C)cc2c1 ZINC000013494432 555404526 /nfs/dbraw/zinc/40/45/26/555404526.db2.gz JIPXOTANNMCUGQ-RUZDIDTESA-N 1 2 488.636 5.130 40 0 JKABLO CCOc1ccc2[nH]c(=O)c(C[N@@H+](Cc3ccc(C)cc3)[C@H](CC)c3nnnn3C(C)(C)C)cc2c1 ZINC000013494432 555404529 /nfs/dbraw/zinc/40/45/29/555404529.db2.gz JIPXOTANNMCUGQ-RUZDIDTESA-N 1 2 488.636 5.130 40 0 JKABLO CC[C@@H](c1nnnn1C(C)(C)C)[N@H+](Cc1ccc(F)cc1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013494450 555404558 /nfs/dbraw/zinc/40/45/58/555404558.db2.gz JZALZUQVMBFTGZ-QHCPKHFHSA-N 1 2 476.600 5.179 40 0 JKABLO CC[C@@H](c1nnnn1C(C)(C)C)[N@@H+](Cc1ccc(F)cc1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013494450 555404559 /nfs/dbraw/zinc/40/45/59/555404559.db2.gz JZALZUQVMBFTGZ-QHCPKHFHSA-N 1 2 476.600 5.179 40 0 JKABLO CC[C@@H](c1nnnn1C(C)(C)C)[N@H+](Cc1ccc(C)cc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013494427 555404563 /nfs/dbraw/zinc/40/45/63/555404563.db2.gz WCVCDRJOARQISK-DEOSSOPVSA-N 1 2 458.610 5.040 40 0 JKABLO CC[C@@H](c1nnnn1C(C)(C)C)[N@@H+](Cc1ccc(C)cc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013494427 555404565 /nfs/dbraw/zinc/40/45/65/555404565.db2.gz WCVCDRJOARQISK-DEOSSOPVSA-N 1 2 458.610 5.040 40 0 JKABLO CC[C@H](c1nnnn1C(C)(C)CC)[N@H+](Cc1ccccc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013494626 555405487 /nfs/dbraw/zinc/40/54/87/555405487.db2.gz XBFCNGLUTLERGG-XMMPIXPASA-N 1 2 458.610 5.122 40 0 JKABLO CC[C@H](c1nnnn1C(C)(C)CC)[N@@H+](Cc1ccccc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013494626 555405489 /nfs/dbraw/zinc/40/54/89/555405489.db2.gz XBFCNGLUTLERGG-XMMPIXPASA-N 1 2 458.610 5.122 40 0 JKABLO CCOc1ccc2[nH]c(=O)c(C[N@H+](Cc3ccccc3)[C@H](CC)c3nnnn3C3CCCC3)cc2c1 ZINC000013494723 555406026 /nfs/dbraw/zinc/40/60/26/555406026.db2.gz YFUAIPMAVACAQX-AREMUKBSSA-N 1 2 486.620 5.182 40 0 JKABLO CCOc1ccc2[nH]c(=O)c(C[N@@H+](Cc3ccccc3)[C@H](CC)c3nnnn3C3CCCC3)cc2c1 ZINC000013494723 555406028 /nfs/dbraw/zinc/40/60/28/555406028.db2.gz YFUAIPMAVACAQX-AREMUKBSSA-N 1 2 486.620 5.182 40 0 JKABLO CC[C@@H](c1nnnn1C1CCCCC1)[N@H+](Cc1ccc(C)cc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013494753 555406379 /nfs/dbraw/zinc/40/63/79/555406379.db2.gz UCHGIHICIQIGQD-SANMLTNESA-N 1 2 484.648 5.790 40 0 JKABLO CC[C@@H](c1nnnn1C1CCCCC1)[N@@H+](Cc1ccc(C)cc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013494753 555406382 /nfs/dbraw/zinc/40/63/82/555406382.db2.gz UCHGIHICIQIGQD-SANMLTNESA-N 1 2 484.648 5.790 40 0 JKABLO CC[C@H](c1nnnn1Cc1ccco1)[N@H+](Cc1ccc(C)cc1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013494830 555406413 /nfs/dbraw/zinc/40/64/13/555406413.db2.gz SJWIRRSGSRMPJK-AREMUKBSSA-N 1 2 496.615 5.235 40 0 JKABLO CC[C@H](c1nnnn1Cc1ccco1)[N@@H+](Cc1ccc(C)cc1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013494830 555406415 /nfs/dbraw/zinc/40/64/15/555406415.db2.gz SJWIRRSGSRMPJK-AREMUKBSSA-N 1 2 496.615 5.235 40 0 JKABLO CC[C@H](c1nnnn1C1CCCC1)[N@H+](Cc1ccc(C)cc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013494782 555406560 /nfs/dbraw/zinc/40/65/60/555406560.db2.gz NZKGOXUFRVTDAC-AREMUKBSSA-N 1 2 470.621 5.400 40 0 JKABLO CC[C@H](c1nnnn1C1CCCC1)[N@@H+](Cc1ccc(C)cc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013494782 555406561 /nfs/dbraw/zinc/40/65/61/555406561.db2.gz NZKGOXUFRVTDAC-AREMUKBSSA-N 1 2 470.621 5.400 40 0 JKABLO CC[C@@H](c1nnnn1C(C)(C)CC)[N@H+](Cc1ccc(F)cc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013494982 555406792 /nfs/dbraw/zinc/40/67/92/555406792.db2.gz JMGNZVNFKFMHIV-DEOSSOPVSA-N 1 2 476.600 5.261 40 0 JKABLO CC[C@@H](c1nnnn1C(C)(C)CC)[N@@H+](Cc1ccc(F)cc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013494982 555406793 /nfs/dbraw/zinc/40/67/93/555406793.db2.gz JMGNZVNFKFMHIV-DEOSSOPVSA-N 1 2 476.600 5.261 40 0 JKABLO CC[C@H](c1nnnn1C(C)(C)CC)[N@H+](Cc1ccc(F)cc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013494942 555406881 /nfs/dbraw/zinc/40/68/81/555406881.db2.gz FAVVMJYDKFYBCW-HSZRJFAPSA-N 1 2 476.600 5.261 40 0 JKABLO CC[C@H](c1nnnn1C(C)(C)CC)[N@@H+](Cc1ccc(F)cc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013494942 555406883 /nfs/dbraw/zinc/40/68/83/555406883.db2.gz FAVVMJYDKFYBCW-HSZRJFAPSA-N 1 2 476.600 5.261 40 0 JKABLO CC[C@@H](c1nnnn1C1CCCC1)[N@H+](Cc1ccc(F)cc1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013495022 555407124 /nfs/dbraw/zinc/40/71/24/555407124.db2.gz JQQXCSPDDMTTJI-VWLOTQADSA-N 1 2 488.611 5.539 40 0 JKABLO CC[C@@H](c1nnnn1C1CCCC1)[N@@H+](Cc1ccc(F)cc1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013495022 555407126 /nfs/dbraw/zinc/40/71/26/555407126.db2.gz JQQXCSPDDMTTJI-VWLOTQADSA-N 1 2 488.611 5.539 40 0 JKABLO CC[C@@H](c1nnnn1C(C)(C)CC)[N@H+](Cc1ccc(OC)cc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013495102 555407248 /nfs/dbraw/zinc/40/72/48/555407248.db2.gz SOJVYRAEYRFOAF-DEOSSOPVSA-N 1 2 488.636 5.130 40 0 JKABLO CC[C@@H](c1nnnn1C(C)(C)CC)[N@@H+](Cc1ccc(OC)cc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013495102 555407250 /nfs/dbraw/zinc/40/72/50/555407250.db2.gz SOJVYRAEYRFOAF-DEOSSOPVSA-N 1 2 488.636 5.130 40 0 JKABLO CC[C@@H](c1nnnn1Cc1ccccc1)[N@H+](Cc1cccs1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013495738 555408764 /nfs/dbraw/zinc/40/87/64/555408764.db2.gz JYGSSWPRYSQINQ-DEOSSOPVSA-N 1 2 484.629 5.086 40 0 JKABLO CC[C@@H](c1nnnn1Cc1ccccc1)[N@@H+](Cc1cccs1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013495738 555408765 /nfs/dbraw/zinc/40/87/65/555408765.db2.gz JYGSSWPRYSQINQ-DEOSSOPVSA-N 1 2 484.629 5.086 40 0 JKABLO CC[C@H](c1nnnn1C1CCCCC1)[N@H+](Cc1cccs1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013495733 555408770 /nfs/dbraw/zinc/40/87/70/555408770.db2.gz CCJPICJWEIJNDQ-HSZRJFAPSA-N 1 2 476.650 5.543 40 0 JKABLO CC[C@H](c1nnnn1C1CCCCC1)[N@@H+](Cc1cccs1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013495733 555408772 /nfs/dbraw/zinc/40/87/72/555408772.db2.gz CCJPICJWEIJNDQ-HSZRJFAPSA-N 1 2 476.650 5.543 40 0 JKABLO CCc1ccc2[nH]c(=O)c(C[N@H+](Cc3ccccc3)[C@H](c3nnnn3C(C)(C)C)C(C)C)cc2c1 ZINC000013498421 555420293 /nfs/dbraw/zinc/42/02/93/555420293.db2.gz ITEVGKHRDNSGEL-VWLOTQADSA-N 1 2 472.637 5.232 40 0 JKABLO CCc1ccc2[nH]c(=O)c(C[N@@H+](Cc3ccccc3)[C@H](c3nnnn3C(C)(C)C)C(C)C)cc2c1 ZINC000013498421 555420294 /nfs/dbraw/zinc/42/02/94/555420294.db2.gz ITEVGKHRDNSGEL-VWLOTQADSA-N 1 2 472.637 5.232 40 0 JKABLO CCc1ccc2[nH]c(=O)c(C[N@H+](Cc3ccccc3)[C@H](c3nnnn3C3CCCC3)C(C)C)cc2c1 ZINC000013498430 555420375 /nfs/dbraw/zinc/42/03/75/555420375.db2.gz KVHOWAADUPSFIB-MHZLTWQESA-N 1 2 484.648 5.592 40 0 JKABLO CCc1ccc2[nH]c(=O)c(C[N@@H+](Cc3ccccc3)[C@H](c3nnnn3C3CCCC3)C(C)C)cc2c1 ZINC000013498430 555420380 /nfs/dbraw/zinc/42/03/80/555420380.db2.gz KVHOWAADUPSFIB-MHZLTWQESA-N 1 2 484.648 5.592 40 0 JKABLO Cc1ccc2cc(C[N@@H+](Cc3cccs3)[C@H](c3nnnn3C3CCCCC3)C(C)C)c(=O)[nH]c2c1 ZINC000013498523 555421445 /nfs/dbraw/zinc/42/14/45/555421445.db2.gz FMXBZGVFBFSLLO-VWLOTQADSA-N 1 2 490.677 5.789 40 0 JKABLO Cc1ccc2cc(C[N@H+](Cc3cccs3)[C@H](c3nnnn3C3CCCCC3)C(C)C)c(=O)[nH]c2c1 ZINC000013498523 555421449 /nfs/dbraw/zinc/42/14/49/555421449.db2.gz FMXBZGVFBFSLLO-VWLOTQADSA-N 1 2 490.677 5.789 40 0 JKABLO COc1ccc2[nH]c(=O)c(C[N@H+](Cc3ccccc3)[C@H](c3nnnn3C3CCCC3)C(C)C)cc2c1 ZINC000013498625 555423050 /nfs/dbraw/zinc/42/30/50/555423050.db2.gz JLHKLVKJZJZPAI-SANMLTNESA-N 1 2 486.620 5.038 40 0 JKABLO COc1ccc2[nH]c(=O)c(C[N@@H+](Cc3ccccc3)[C@H](c3nnnn3C3CCCC3)C(C)C)cc2c1 ZINC000013498625 555423053 /nfs/dbraw/zinc/42/30/53/555423053.db2.gz JLHKLVKJZJZPAI-SANMLTNESA-N 1 2 486.620 5.038 40 0 JKABLO COc1ccc2cc(C[N@H+](Cc3cccs3)[C@H](c3nnnn3C3CCCC3)C(C)C)c(=O)[nH]c2c1 ZINC000013498726 555424142 /nfs/dbraw/zinc/42/41/42/555424142.db2.gz RBLIPRZPDVWICB-DEOSSOPVSA-N 1 2 492.649 5.099 40 0 JKABLO COc1ccc2cc(C[N@@H+](Cc3cccs3)[C@H](c3nnnn3C3CCCC3)C(C)C)c(=O)[nH]c2c1 ZINC000013498726 555424143 /nfs/dbraw/zinc/42/41/43/555424143.db2.gz RBLIPRZPDVWICB-DEOSSOPVSA-N 1 2 492.649 5.099 40 0 JKABLO COc1ccc2cc(C[N@H+](Cc3cccs3)[C@@H](c3nnnn3C3CCCC3)C(C)C)c(=O)[nH]c2c1 ZINC000013498727 555424193 /nfs/dbraw/zinc/42/41/93/555424193.db2.gz RBLIPRZPDVWICB-XMMPIXPASA-N 1 2 492.649 5.099 40 0 JKABLO COc1ccc2cc(C[N@@H+](Cc3cccs3)[C@@H](c3nnnn3C3CCCC3)C(C)C)c(=O)[nH]c2c1 ZINC000013498727 555424195 /nfs/dbraw/zinc/42/41/95/555424195.db2.gz RBLIPRZPDVWICB-XMMPIXPASA-N 1 2 492.649 5.099 40 0 JKABLO Cc1cc2cc(C[N@@H+](Cc3ccc(F)cc3)[C@H](c3nnnn3C(C)(C)C)C(C)C)c(=O)[nH]c2cc1C ZINC000013498841 555425221 /nfs/dbraw/zinc/42/52/21/555425221.db2.gz UMWGRPBNYGZLHF-VWLOTQADSA-N 1 2 490.627 5.425 40 0 JKABLO Cc1cc2cc(C[N@H+](Cc3ccc(F)cc3)[C@H](c3nnnn3C(C)(C)C)C(C)C)c(=O)[nH]c2cc1C ZINC000013498841 555425222 /nfs/dbraw/zinc/42/52/22/555425222.db2.gz UMWGRPBNYGZLHF-VWLOTQADSA-N 1 2 490.627 5.425 40 0 JKABLO Cc1cc2cc(C[N@@H+](Cc3ccco3)[C@H](c3nnnn3C3CCCC3)C(C)C)c(=O)[nH]c2cc1C ZINC000013498875 555425534 /nfs/dbraw/zinc/42/55/34/555425534.db2.gz UJQIFDOPDDHWAU-VWLOTQADSA-N 1 2 474.609 5.239 40 0 JKABLO Cc1cc2cc(C[N@H+](Cc3ccco3)[C@H](c3nnnn3C3CCCC3)C(C)C)c(=O)[nH]c2cc1C ZINC000013498875 555425535 /nfs/dbraw/zinc/42/55/35/555425535.db2.gz UJQIFDOPDDHWAU-VWLOTQADSA-N 1 2 474.609 5.239 40 0 JKABLO CCC(C)(C)n1nnnc1[C@@H](C(C)C)[N@H+](Cc1cccs1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000013498862 555425593 /nfs/dbraw/zinc/42/55/93/555425593.db2.gz ZOTKPPAGMBHHHX-XMMPIXPASA-N 1 2 492.693 5.738 40 0 JKABLO CCC(C)(C)n1nnnc1[C@@H](C(C)C)[N@@H+](Cc1cccs1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000013498862 555425594 /nfs/dbraw/zinc/42/55/94/555425594.db2.gz ZOTKPPAGMBHHHX-XMMPIXPASA-N 1 2 492.693 5.738 40 0 JKABLO CCC(C)(C)n1nnnc1[C@@H](C(C)C)[N@H+](Cc1cccnc1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000013498856 555425608 /nfs/dbraw/zinc/42/56/08/555425608.db2.gz CSMDQNPOKGBZJJ-RUZDIDTESA-N 1 2 487.652 5.071 40 0 JKABLO CCC(C)(C)n1nnnc1[C@@H](C(C)C)[N@@H+](Cc1cccnc1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000013498856 555425609 /nfs/dbraw/zinc/42/56/09/555425609.db2.gz CSMDQNPOKGBZJJ-RUZDIDTESA-N 1 2 487.652 5.071 40 0 JKABLO Cc1cc2cc(C[N@@H+](Cc3cccnc3)[C@H](c3nnnn3C3CCCCC3)C(C)C)c(=O)[nH]c2cc1C ZINC000013498887 555425927 /nfs/dbraw/zinc/42/59/27/555425927.db2.gz WLPCZTZZEJUVNP-MHZLTWQESA-N 1 2 499.663 5.431 40 0 JKABLO Cc1cc2cc(C[N@H+](Cc3cccnc3)[C@H](c3nnnn3C3CCCCC3)C(C)C)c(=O)[nH]c2cc1C ZINC000013498887 555425929 /nfs/dbraw/zinc/42/59/29/555425929.db2.gz WLPCZTZZEJUVNP-MHZLTWQESA-N 1 2 499.663 5.431 40 0 JKABLO Cc1cc2cc(C[N@@H+](Cc3ccccc3)[C@H](c3nnnn3C3CCCCC3)C(C)C)c(=O)[nH]c2cc1C ZINC000013498885 555425976 /nfs/dbraw/zinc/42/59/76/555425976.db2.gz RKOLFLSQAUNJQS-NDEPHWFRSA-N 1 2 498.675 6.036 40 0 JKABLO Cc1cc2cc(C[N@H+](Cc3ccccc3)[C@H](c3nnnn3C3CCCCC3)C(C)C)c(=O)[nH]c2cc1C ZINC000013498885 555425977 /nfs/dbraw/zinc/42/59/77/555425977.db2.gz RKOLFLSQAUNJQS-NDEPHWFRSA-N 1 2 498.675 6.036 40 0 JKABLO Cc1ccc(C[N@H+](Cc2cc3cc(C)c(C)cc3[nH]c2=O)[C@@H](c2nnnn2C(C)(C)C)C(C)C)cc1 ZINC000013498924 555426026 /nfs/dbraw/zinc/42/60/26/555426026.db2.gz GHCVAVNOSPRACZ-AREMUKBSSA-N 1 2 486.664 5.594 40 0 JKABLO Cc1ccc(C[N@@H+](Cc2cc3cc(C)c(C)cc3[nH]c2=O)[C@@H](c2nnnn2C(C)(C)C)C(C)C)cc1 ZINC000013498924 555426028 /nfs/dbraw/zinc/42/60/28/555426028.db2.gz GHCVAVNOSPRACZ-AREMUKBSSA-N 1 2 486.664 5.594 40 0 JKABLO Cc1cc(C)c2cc(C[N@@H+](Cc3cccs3)[C@@H](c3nnnn3C(C)(C)C)C(C)C)c(=O)[nH]c2c1 ZINC000013499002 555427157 /nfs/dbraw/zinc/42/71/57/555427157.db2.gz WPNDODNNGMAGKH-HSZRJFAPSA-N 1 2 478.666 5.347 40 0 JKABLO Cc1cc(C)c2cc(C[N@H+](Cc3cccs3)[C@@H](c3nnnn3C(C)(C)C)C(C)C)c(=O)[nH]c2c1 ZINC000013499002 555427158 /nfs/dbraw/zinc/42/71/58/555427158.db2.gz WPNDODNNGMAGKH-HSZRJFAPSA-N 1 2 478.666 5.347 40 0 JKABLO Cc1cc(C)c2cc(C[N@@H+](Cc3ccccc3)[C@@H](c3nnnn3C3CCCC3)C(C)C)c(=O)[nH]c2c1 ZINC000013499018 555427202 /nfs/dbraw/zinc/42/72/02/555427202.db2.gz LPUVHGRNHZCZGI-HHHXNRCGSA-N 1 2 484.648 5.646 40 0 JKABLO Cc1cc(C)c2cc(C[N@H+](Cc3ccccc3)[C@@H](c3nnnn3C3CCCC3)C(C)C)c(=O)[nH]c2c1 ZINC000013499018 555427205 /nfs/dbraw/zinc/42/72/05/555427205.db2.gz LPUVHGRNHZCZGI-HHHXNRCGSA-N 1 2 484.648 5.646 40 0 JKABLO CCC(C)(C)n1nnnc1[C@@H](C(C)C)[N@H+](Cc1ccco1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000013499012 555427256 /nfs/dbraw/zinc/42/72/56/555427256.db2.gz UXWUBRZAGSMSGH-XMMPIXPASA-N 1 2 476.625 5.269 40 0 JKABLO CCC(C)(C)n1nnnc1[C@@H](C(C)C)[N@@H+](Cc1ccco1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000013499012 555427259 /nfs/dbraw/zinc/42/72/59/555427259.db2.gz UXWUBRZAGSMSGH-XMMPIXPASA-N 1 2 476.625 5.269 40 0 JKABLO Cc1cc(C)c2cc(C[N@@H+](Cc3ccccc3)[C@@H](c3nnnn3C3CCCCC3)C(C)C)c(=O)[nH]c2c1 ZINC000013499034 555427638 /nfs/dbraw/zinc/42/76/38/555427638.db2.gz UDLYVAWUSKNOEC-MUUNZHRXSA-N 1 2 498.675 6.036 40 0 JKABLO Cc1cc(C)c2cc(C[N@H+](Cc3ccccc3)[C@@H](c3nnnn3C3CCCCC3)C(C)C)c(=O)[nH]c2c1 ZINC000013499034 555427642 /nfs/dbraw/zinc/42/76/42/555427642.db2.gz UDLYVAWUSKNOEC-MUUNZHRXSA-N 1 2 498.675 6.036 40 0 JKABLO Cc1cc(C)c2cc(C[N@@H+](Cc3ccco3)[C@H](c3nnnn3Cc3ccccc3)C(C)C)c(=O)[nH]c2c1 ZINC000013499055 555427659 /nfs/dbraw/zinc/42/76/59/555427659.db2.gz ZBAJCPHPBWTDOY-MHZLTWQESA-N 1 2 496.615 5.172 40 0 JKABLO Cc1cc(C)c2cc(C[N@H+](Cc3ccco3)[C@H](c3nnnn3Cc3ccccc3)C(C)C)c(=O)[nH]c2c1 ZINC000013499055 555427661 /nfs/dbraw/zinc/42/76/61/555427661.db2.gz ZBAJCPHPBWTDOY-MHZLTWQESA-N 1 2 496.615 5.172 40 0 JKABLO Cc1cc(C)c2cc(C[N@@H+](Cc3ccccc3)[C@H](c3nnnn3C3CCCCC3)C(C)C)c(=O)[nH]c2c1 ZINC000013499035 555427728 /nfs/dbraw/zinc/42/77/28/555427728.db2.gz UDLYVAWUSKNOEC-NDEPHWFRSA-N 1 2 498.675 6.036 40 0 JKABLO Cc1cc(C)c2cc(C[N@H+](Cc3ccccc3)[C@H](c3nnnn3C3CCCCC3)C(C)C)c(=O)[nH]c2c1 ZINC000013499035 555427729 /nfs/dbraw/zinc/42/77/29/555427729.db2.gz UDLYVAWUSKNOEC-NDEPHWFRSA-N 1 2 498.675 6.036 40 0 JKABLO Cc1cc(C)c2cc(C[N@@H+](Cc3ccccc3)[C@H](c3nnnn3Cc3ccco3)C(C)C)c(=O)[nH]c2c1 ZINC000013499087 555428048 /nfs/dbraw/zinc/42/80/48/555428048.db2.gz WYDJBEZFESBTHS-MHZLTWQESA-N 1 2 496.615 5.172 40 0 JKABLO Cc1cc(C)c2cc(C[N@H+](Cc3ccccc3)[C@H](c3nnnn3Cc3ccco3)C(C)C)c(=O)[nH]c2c1 ZINC000013499087 555428051 /nfs/dbraw/zinc/42/80/51/555428051.db2.gz WYDJBEZFESBTHS-MHZLTWQESA-N 1 2 496.615 5.172 40 0 JKABLO Cc1ccc2cc(C[N@@H+](Cc3cccnc3)[C@@H](c3nnnn3C3CCCCC3)C(C)C)c(=O)[nH]c2c1C ZINC000013499132 555428473 /nfs/dbraw/zinc/42/84/73/555428473.db2.gz DYFBZFATAJWHQX-HHHXNRCGSA-N 1 2 499.663 5.431 40 0 JKABLO Cc1ccc2cc(C[N@H+](Cc3cccnc3)[C@@H](c3nnnn3C3CCCCC3)C(C)C)c(=O)[nH]c2c1C ZINC000013499132 555428474 /nfs/dbraw/zinc/42/84/74/555428474.db2.gz DYFBZFATAJWHQX-HHHXNRCGSA-N 1 2 499.663 5.431 40 0 JKABLO Cc1ccc2cc(C[N@@H+](Cc3ccccc3)[C@H](c3nnnn3C3CCCCC3)C(C)C)c(=O)[nH]c2c1C ZINC000013499131 555428486 /nfs/dbraw/zinc/42/84/86/555428486.db2.gz TYQLNKXPMXWFCW-NDEPHWFRSA-N 1 2 498.675 6.036 40 0 JKABLO Cc1ccc2cc(C[N@H+](Cc3ccccc3)[C@H](c3nnnn3C3CCCCC3)C(C)C)c(=O)[nH]c2c1C ZINC000013499131 555428488 /nfs/dbraw/zinc/42/84/88/555428488.db2.gz TYQLNKXPMXWFCW-NDEPHWFRSA-N 1 2 498.675 6.036 40 0 JKABLO CCC[C@H](c1nnnn1C(C)(C)C)[N@H+](Cc1ccccc1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000013499263 555429666 /nfs/dbraw/zinc/42/96/66/555429666.db2.gz RTUNMFJPSMWLEL-XMMPIXPASA-N 1 2 458.610 5.122 40 0 JKABLO CCC[C@H](c1nnnn1C(C)(C)C)[N@@H+](Cc1ccccc1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000013499263 555429669 /nfs/dbraw/zinc/42/96/69/555429669.db2.gz RTUNMFJPSMWLEL-XMMPIXPASA-N 1 2 458.610 5.122 40 0 JKABLO CCC[C@@H](c1nnnn1C(C)(C)C)[N@H+](Cc1ccc(OC)cc1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000013499268 555429788 /nfs/dbraw/zinc/42/97/88/555429788.db2.gz APTSITJKMBVWFX-VWLOTQADSA-N 1 2 488.636 5.130 40 0 JKABLO CCC[C@@H](c1nnnn1C(C)(C)C)[N@@H+](Cc1ccc(OC)cc1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000013499268 555429793 /nfs/dbraw/zinc/42/97/93/555429793.db2.gz APTSITJKMBVWFX-VWLOTQADSA-N 1 2 488.636 5.130 40 0 JKABLO CCC[C@@H](c1nnnn1C1CCCCC1)[N@H+](Cc1cccs1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000013499294 555429917 /nfs/dbraw/zinc/42/99/17/555429917.db2.gz CQZYMEUVYPAEIW-VWLOTQADSA-N 1 2 490.677 5.933 40 0 JKABLO CCC[C@@H](c1nnnn1C1CCCCC1)[N@@H+](Cc1cccs1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000013499294 555429921 /nfs/dbraw/zinc/42/99/21/555429921.db2.gz CQZYMEUVYPAEIW-VWLOTQADSA-N 1 2 490.677 5.933 40 0 JKABLO CCC[C@H](c1nnnn1C(C)(C)CC)[N@H+](Cc1ccccc1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000013499275 555429970 /nfs/dbraw/zinc/42/99/70/555429970.db2.gz COMUCACHZMNUJY-RUZDIDTESA-N 1 2 472.637 5.512 40 0 JKABLO CCC[C@H](c1nnnn1C(C)(C)CC)[N@@H+](Cc1ccccc1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000013499275 555429971 /nfs/dbraw/zinc/42/99/71/555429971.db2.gz COMUCACHZMNUJY-RUZDIDTESA-N 1 2 472.637 5.512 40 0 JKABLO CCC[C@@H](c1nnnn1C(C)(C)C)[N@H+](Cc1ccc(F)cc1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000013499266 555430025 /nfs/dbraw/zinc/43/00/25/555430025.db2.gz FHKHAAUDEDFWOS-DEOSSOPVSA-N 1 2 476.600 5.261 40 0 JKABLO CCC[C@@H](c1nnnn1C(C)(C)C)[N@@H+](Cc1ccc(F)cc1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000013499266 555430028 /nfs/dbraw/zinc/43/00/28/555430028.db2.gz FHKHAAUDEDFWOS-DEOSSOPVSA-N 1 2 476.600 5.261 40 0 JKABLO CCC[C@@H](c1nnnn1C(C)(C)CC)[N@H+](Cc1ccccc1)Cc1cc2ccc(OC)cc2[nH]c1=O ZINC000013499366 555430915 /nfs/dbraw/zinc/43/09/15/555430915.db2.gz YYLJWRRVQISCJQ-VWLOTQADSA-N 1 2 488.636 5.212 40 0 JKABLO CCC[C@@H](c1nnnn1C(C)(C)CC)[N@@H+](Cc1ccccc1)Cc1cc2ccc(OC)cc2[nH]c1=O ZINC000013499366 555430918 /nfs/dbraw/zinc/43/09/18/555430918.db2.gz YYLJWRRVQISCJQ-VWLOTQADSA-N 1 2 488.636 5.212 40 0 JKABLO CCC[C@@H](c1nnnn1C(C)(C)CC)[N@H+](Cc1ccccc1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000013499448 555431340 /nfs/dbraw/zinc/43/13/40/555431340.db2.gz BAYDCBWJEBBFAD-SANMLTNESA-N 1 2 486.664 5.820 40 0 JKABLO CCC[C@@H](c1nnnn1C(C)(C)CC)[N@@H+](Cc1ccccc1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000013499448 555431342 /nfs/dbraw/zinc/43/13/42/555431342.db2.gz BAYDCBWJEBBFAD-SANMLTNESA-N 1 2 486.664 5.820 40 0 JKABLO CCC[C@H](c1nnnn1C1CCCC1)[N@H+](Cc1ccccc1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000013499459 555431873 /nfs/dbraw/zinc/43/18/73/555431873.db2.gz VBPWSCUBQQLCEL-HHHXNRCGSA-N 1 2 484.648 5.790 40 0 JKABLO CCC[C@H](c1nnnn1C1CCCC1)[N@@H+](Cc1ccccc1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000013499459 555431875 /nfs/dbraw/zinc/43/18/75/555431875.db2.gz VBPWSCUBQQLCEL-HHHXNRCGSA-N 1 2 484.648 5.790 40 0 JKABLO CCC[C@H](c1nnnn1C1CCCC1)[N@H+](Cc1ccccc1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000013499563 555432927 /nfs/dbraw/zinc/43/29/27/555432927.db2.gz RMSKFASFULFPKS-HHHXNRCGSA-N 1 2 484.648 5.790 40 0 JKABLO CCC[C@H](c1nnnn1C1CCCC1)[N@@H+](Cc1ccccc1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000013499563 555432929 /nfs/dbraw/zinc/43/29/29/555432929.db2.gz RMSKFASFULFPKS-HHHXNRCGSA-N 1 2 484.648 5.790 40 0 JKABLO CCC[C@@H](c1nnnn1C1CCCC1)[N@H+](Cc1ccc(C)cc1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000013499600 555433607 /nfs/dbraw/zinc/43/36/07/555433607.db2.gz YOXNPEVMPNLKFN-NDEPHWFRSA-N 1 2 498.675 6.099 40 0 JKABLO CCC[C@@H](c1nnnn1C1CCCC1)[N@@H+](Cc1ccc(C)cc1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000013499600 555433610 /nfs/dbraw/zinc/43/36/10/555433610.db2.gz YOXNPEVMPNLKFN-NDEPHWFRSA-N 1 2 498.675 6.099 40 0 JKABLO CCOc1ccc2[nH]c(=O)c(C[N@H+](Cc3ccccc3)[C@@H](c3nnnn3C(C)(C)C)C(C)C)cc2c1 ZINC000013500212 555437628 /nfs/dbraw/zinc/43/76/28/555437628.db2.gz VOCBFNIKHZBYNQ-RUZDIDTESA-N 1 2 488.636 5.068 40 0 JKABLO CCOc1ccc2[nH]c(=O)c(C[N@@H+](Cc3ccccc3)[C@@H](c3nnnn3C(C)(C)C)C(C)C)cc2c1 ZINC000013500212 555437630 /nfs/dbraw/zinc/43/76/30/555437630.db2.gz VOCBFNIKHZBYNQ-RUZDIDTESA-N 1 2 488.636 5.068 40 0 JKABLO Cc1cc(C)c2[nH]c(=O)c(C[N@@H+](Cc3ccccc3)[C@H](c3nnnn3C(C)(C)C)C(C)C)cc2c1 ZINC000013500210 555437645 /nfs/dbraw/zinc/43/76/45/555437645.db2.gz HURBMJSADVXMCS-VWLOTQADSA-N 1 2 472.637 5.286 40 0 JKABLO Cc1cc(C)c2[nH]c(=O)c(C[N@H+](Cc3ccccc3)[C@H](c3nnnn3C(C)(C)C)C(C)C)cc2c1 ZINC000013500210 555437647 /nfs/dbraw/zinc/43/76/47/555437647.db2.gz HURBMJSADVXMCS-VWLOTQADSA-N 1 2 472.637 5.286 40 0 JKABLO Cc1ccc(C[N@H+](Cc2cc3cc(C)ccc3[nH]c2=O)[C@H](c2nnnn2C(C)(C)C)C(C)C)cc1 ZINC000013500218 555438188 /nfs/dbraw/zinc/43/81/88/555438188.db2.gz YMCSSPZYDLJVGQ-VWLOTQADSA-N 1 2 472.637 5.286 40 0 JKABLO Cc1ccc(C[N@@H+](Cc2cc3cc(C)ccc3[nH]c2=O)[C@H](c2nnnn2C(C)(C)C)C(C)C)cc1 ZINC000013500218 555438189 /nfs/dbraw/zinc/43/81/89/555438189.db2.gz YMCSSPZYDLJVGQ-VWLOTQADSA-N 1 2 472.637 5.286 40 0 JKABLO Cc1cc(C)c2[nH]c(=O)c(C[N@@H+](Cc3ccccc3)[C@H](c3nnnn3C3CCCCC3)C(C)C)cc2c1 ZINC000013500328 555438823 /nfs/dbraw/zinc/43/88/23/555438823.db2.gz HAIGSRVZBIWOKC-NDEPHWFRSA-N 1 2 498.675 6.036 40 0 JKABLO Cc1cc(C)c2[nH]c(=O)c(C[N@H+](Cc3ccccc3)[C@H](c3nnnn3C3CCCCC3)C(C)C)cc2c1 ZINC000013500328 555438824 /nfs/dbraw/zinc/43/88/24/555438824.db2.gz HAIGSRVZBIWOKC-NDEPHWFRSA-N 1 2 498.675 6.036 40 0 JKABLO Cc1cccc2cc(C[N@@H+](Cc3ccccc3)[C@@H](c3nnnn3Cc3ccccc3)C(C)C)c(=O)[nH]c12 ZINC000013500319 555438877 /nfs/dbraw/zinc/43/88/77/555438877.db2.gz HSIALBKRIYVOAO-MUUNZHRXSA-N 1 2 492.627 5.271 40 0 JKABLO Cc1cccc2cc(C[N@H+](Cc3ccccc3)[C@@H](c3nnnn3Cc3ccccc3)C(C)C)c(=O)[nH]c12 ZINC000013500319 555438879 /nfs/dbraw/zinc/43/88/79/555438879.db2.gz HSIALBKRIYVOAO-MUUNZHRXSA-N 1 2 492.627 5.271 40 0 JKABLO Cc1cccc2cc(C[N@@H+](Cc3ccccc3)[C@@H](c3nnnn3C3CCCC3)C(C)C)c(=O)[nH]c12 ZINC000013500315 555438948 /nfs/dbraw/zinc/43/89/48/555438948.db2.gz HVDPDWMOJOCIAC-AREMUKBSSA-N 1 2 470.621 5.338 40 0 JKABLO Cc1cccc2cc(C[N@H+](Cc3ccccc3)[C@@H](c3nnnn3C3CCCC3)C(C)C)c(=O)[nH]c12 ZINC000013500315 555438951 /nfs/dbraw/zinc/43/89/51/555438951.db2.gz HVDPDWMOJOCIAC-AREMUKBSSA-N 1 2 470.621 5.338 40 0 JKABLO Cc1ccc2[nH]c(=O)c(C[N@@H+](Cc3ccccc3)[C@H](c3nnnn3C3CCCCC3)C(C)C)cc2c1 ZINC000013500304 555438998 /nfs/dbraw/zinc/43/89/98/555438998.db2.gz NWPFYEIITXCVML-MHZLTWQESA-N 1 2 484.648 5.728 40 0 JKABLO Cc1ccc2[nH]c(=O)c(C[N@H+](Cc3ccccc3)[C@H](c3nnnn3C3CCCCC3)C(C)C)cc2c1 ZINC000013500304 555439001 /nfs/dbraw/zinc/43/90/01/555439001.db2.gz NWPFYEIITXCVML-MHZLTWQESA-N 1 2 484.648 5.728 40 0 JKABLO CCC(C)(C)n1nnnc1[C@H](C(C)C)[N@H+](Cc1ccccc1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013500324 555439034 /nfs/dbraw/zinc/43/90/34/555439034.db2.gz WMCCEXWQNPGGFD-SANMLTNESA-N 1 2 486.664 5.676 40 0 JKABLO CCC(C)(C)n1nnnc1[C@H](C(C)C)[N@@H+](Cc1ccccc1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013500324 555439037 /nfs/dbraw/zinc/43/90/37/555439037.db2.gz WMCCEXWQNPGGFD-SANMLTNESA-N 1 2 486.664 5.676 40 0 JKABLO Cc1ccc2[nH]c(=O)c(C[N@@H+](Cc3ccccc3)[C@@H](c3nnnn3C3CCCCC3)C(C)C)cc2c1 ZINC000013500303 555439057 /nfs/dbraw/zinc/43/90/57/555439057.db2.gz NWPFYEIITXCVML-HHHXNRCGSA-N 1 2 484.648 5.728 40 0 JKABLO Cc1ccc2[nH]c(=O)c(C[N@H+](Cc3ccccc3)[C@@H](c3nnnn3C3CCCCC3)C(C)C)cc2c1 ZINC000013500303 555439060 /nfs/dbraw/zinc/43/90/60/555439060.db2.gz NWPFYEIITXCVML-HHHXNRCGSA-N 1 2 484.648 5.728 40 0 JKABLO Cc1ccc2[nH]c(=O)c(C[N@@H+](Cc3ccc(F)cc3)[C@@H](c3nnnn3C3CCCC3)C(C)C)cc2c1 ZINC000013500355 555439285 /nfs/dbraw/zinc/43/92/85/555439285.db2.gz XWXJGWHVIPPESH-AREMUKBSSA-N 1 2 488.611 5.477 40 0 JKABLO Cc1ccc2[nH]c(=O)c(C[N@H+](Cc3ccc(F)cc3)[C@@H](c3nnnn3C3CCCC3)C(C)C)cc2c1 ZINC000013500355 555439287 /nfs/dbraw/zinc/43/92/87/555439287.db2.gz XWXJGWHVIPPESH-AREMUKBSSA-N 1 2 488.611 5.477 40 0 JKABLO CCC[C@H](c1nnnn1C(C)(C)C)[N@H+](Cc1ccccc1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013500700 555442879 /nfs/dbraw/zinc/44/28/79/555442879.db2.gz CIEJFMFVQIGZQY-XMMPIXPASA-N 1 2 472.637 5.430 40 0 JKABLO CCC[C@H](c1nnnn1C(C)(C)C)[N@@H+](Cc1ccccc1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013500700 555442882 /nfs/dbraw/zinc/44/28/82/555442882.db2.gz CIEJFMFVQIGZQY-XMMPIXPASA-N 1 2 472.637 5.430 40 0 JKABLO CCC[C@@H](c1nnnn1C1CCCC1)[N@H+](Cc1ccccc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013500773 555443958 /nfs/dbraw/zinc/44/39/58/555443958.db2.gz PISPRABQFVKDDL-SANMLTNESA-N 1 2 470.621 5.482 40 0 JKABLO CCC[C@@H](c1nnnn1C1CCCC1)[N@@H+](Cc1ccccc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013500773 555443960 /nfs/dbraw/zinc/44/39/60/555443960.db2.gz PISPRABQFVKDDL-SANMLTNESA-N 1 2 470.621 5.482 40 0 JKABLO CCC[C@@H](c1nnnn1C(C)(C)CC)[N@H+](Cc1ccc(C)cc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013500807 555444291 /nfs/dbraw/zinc/44/42/91/555444291.db2.gz WGRFRTCPSXSGNZ-VWLOTQADSA-N 1 2 486.664 5.820 40 0 JKABLO CCC[C@@H](c1nnnn1C(C)(C)CC)[N@@H+](Cc1ccc(C)cc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013500807 555444294 /nfs/dbraw/zinc/44/42/94/555444294.db2.gz WGRFRTCPSXSGNZ-VWLOTQADSA-N 1 2 486.664 5.820 40 0 JKABLO CCC[C@H](c1nnnn1Cc1ccco1)[N@H+](Cc1ccc(C)cc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013500820 555444301 /nfs/dbraw/zinc/44/43/01/555444301.db2.gz MZDIUCHAERVJIJ-HHHXNRCGSA-N 1 2 496.615 5.316 40 0 JKABLO CCC[C@H](c1nnnn1Cc1ccco1)[N@@H+](Cc1ccc(C)cc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013500820 555444304 /nfs/dbraw/zinc/44/43/04/555444304.db2.gz MZDIUCHAERVJIJ-HHHXNRCGSA-N 1 2 496.615 5.316 40 0 JKABLO CCC[C@H](c1nnnn1Cc1ccco1)[N@H+](Cc1ccc(C)cc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013500812 555444417 /nfs/dbraw/zinc/44/44/17/555444417.db2.gz QGNOHTSYGCXYAV-AREMUKBSSA-N 1 2 496.615 5.316 40 0 JKABLO CCC[C@H](c1nnnn1Cc1ccco1)[N@@H+](Cc1ccc(C)cc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013500812 555444421 /nfs/dbraw/zinc/44/44/21/555444421.db2.gz QGNOHTSYGCXYAV-AREMUKBSSA-N 1 2 496.615 5.316 40 0 JKABLO CCC[C@H](c1nnnn1C1CCCCC1)[N@@H+](Cc1cc2cc(C)cc(C)c2[nH]c1=O)C[C@@H]1CCCO1 ZINC000013500890 555444862 /nfs/dbraw/zinc/44/48/62/555444862.db2.gz JHQUTYYNFHTTEN-LOSJGSFVSA-N 1 2 492.668 5.159 40 0 JKABLO CCC[C@H](c1nnnn1C1CCCCC1)[N@H+](Cc1cc2cc(C)cc(C)c2[nH]c1=O)C[C@@H]1CCCO1 ZINC000013500890 555444867 /nfs/dbraw/zinc/44/48/67/555444867.db2.gz JHQUTYYNFHTTEN-LOSJGSFVSA-N 1 2 492.668 5.159 40 0 JKABLO CCC[C@@H](c1nnnn1C1CCCCC1)[N@H+](Cc1cccs1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013500947 555445595 /nfs/dbraw/zinc/44/55/95/555445595.db2.gz ZEMBWSXBPZUJRX-DEOSSOPVSA-N 1 2 490.677 5.933 40 0 JKABLO CCC[C@@H](c1nnnn1C1CCCCC1)[N@@H+](Cc1cccs1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013500947 555445596 /nfs/dbraw/zinc/44/55/96/555445596.db2.gz ZEMBWSXBPZUJRX-DEOSSOPVSA-N 1 2 490.677 5.933 40 0 JKABLO CCC[C@H](c1nnnn1C1CCCCC1)[N@H+](Cc1cccs1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013500946 555445616 /nfs/dbraw/zinc/44/56/16/555445616.db2.gz ZEMBWSXBPZUJRX-XMMPIXPASA-N 1 2 490.677 5.933 40 0 JKABLO CCC[C@H](c1nnnn1C1CCCCC1)[N@@H+](Cc1cccs1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013500946 555445617 /nfs/dbraw/zinc/44/56/17/555445617.db2.gz ZEMBWSXBPZUJRX-XMMPIXPASA-N 1 2 490.677 5.933 40 0 JKABLO CCC[C@@H](c1nnnn1C(C)(C)CC)[N@H+](Cc1cccs1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013500957 555446053 /nfs/dbraw/zinc/44/60/53/555446053.db2.gz GZJNKGYWKWYICD-QHCPKHFHSA-N 1 2 478.666 5.573 40 0 JKABLO CCC[C@@H](c1nnnn1C(C)(C)CC)[N@@H+](Cc1cccs1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013500957 555446056 /nfs/dbraw/zinc/44/60/56/555446056.db2.gz GZJNKGYWKWYICD-QHCPKHFHSA-N 1 2 478.666 5.573 40 0 JKABLO Cc1ccc2[nH]c(=O)c(C[N@H+](Cc3cccs3)C3(c4nnnn4C4CCCC4)CCCC3)cc2c1 ZINC000013501227 555448514 /nfs/dbraw/zinc/44/85/14/555448514.db2.gz MGSWDYUPSBMAHD-UHFFFAOYSA-N 1 2 488.661 5.471 40 0 JKABLO Cc1ccc2[nH]c(=O)c(C[N@@H+](Cc3cccs3)C3(c4nnnn4C4CCCC4)CCCC3)cc2c1 ZINC000013501227 555448518 /nfs/dbraw/zinc/44/85/18/555448518.db2.gz MGSWDYUPSBMAHD-UHFFFAOYSA-N 1 2 488.661 5.471 40 0 JKABLO Cc1cccc2cc(C[N@H+](Cc3ccco3)C3(c4nnnn4C4CCCC4)CCCCC3)c(=O)[nH]c12 ZINC000013501245 555448583 /nfs/dbraw/zinc/44/85/83/555448583.db2.gz DNVCUIQYYOAVCU-UHFFFAOYSA-N 1 2 486.620 5.393 40 0 JKABLO Cc1cccc2cc(C[N@@H+](Cc3ccco3)C3(c4nnnn4C4CCCC4)CCCCC3)c(=O)[nH]c12 ZINC000013501245 555448596 /nfs/dbraw/zinc/44/85/96/555448596.db2.gz DNVCUIQYYOAVCU-UHFFFAOYSA-N 1 2 486.620 5.393 40 0 JKABLO CC[N@H+](Cc1ccccc1)[C@@H](c1nnnn1Cc1ccc(F)cc1)c1ccc(C(F)(F)F)cc1 ZINC000013561790 555495134 /nfs/dbraw/zinc/49/51/34/555495134.db2.gz BWRIJHIOZBJMGU-HSZRJFAPSA-N 1 2 469.486 5.491 40 0 JKABLO CC[N@@H+](Cc1ccccc1)[C@@H](c1nnnn1Cc1ccc(F)cc1)c1ccc(C(F)(F)F)cc1 ZINC000013561790 555495136 /nfs/dbraw/zinc/49/51/36/555495136.db2.gz BWRIJHIOZBJMGU-HSZRJFAPSA-N 1 2 469.486 5.491 40 0 JKABLO Cc1[nH+]c2cc(F)ccc2n1C1CCN(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC000013566190 555503201 /nfs/dbraw/zinc/50/32/01/555503201.db2.gz QEJAQZPPNPACFH-UHFFFAOYSA-N 1 2 454.855 6.025 40 0 JKABLO CCOC(=O)c1c(NC(=O)Nc2ccc(Cl)cc2)sc2c1CC[N@H+](Cc1ccccc1)C2 ZINC000014162673 555716853 /nfs/dbraw/zinc/71/68/53/555716853.db2.gz PSICLYZKUKZFQB-UHFFFAOYSA-N 1 2 469.994 5.781 40 0 JKABLO CCOC(=O)c1c(NC(=O)Nc2ccc(Cl)cc2)sc2c1CC[N@@H+](Cc1ccccc1)C2 ZINC000014162673 555716857 /nfs/dbraw/zinc/71/68/57/555716857.db2.gz PSICLYZKUKZFQB-UHFFFAOYSA-N 1 2 469.994 5.781 40 0 JKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=O)COc4cccc(C)c4C)cc3n2)c(C)c1 ZINC000014272825 555771053 /nfs/dbraw/zinc/77/10/53/555771053.db2.gz RSWKJQIKUFGUEB-UHFFFAOYSA-N 1 2 471.605 5.518 40 0 JKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=O)COc4ccc5ccccc5c4)cc3n2)c(C)c1 ZINC000014278567 555788896 /nfs/dbraw/zinc/78/88/96/555788896.db2.gz YACMFXBGQAYSMX-UHFFFAOYSA-N 1 2 493.611 6.054 40 0 JKABLO Cc1nc(N(C)c2ccccc2)sc1C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000022245413 555896113 /nfs/dbraw/zinc/89/61/13/555896113.db2.gz YBTVWBQUJRUOAX-UHFFFAOYSA-N 1 2 482.653 5.767 40 0 JKABLO COc1ccc(-c2noc([C@@H]3Cc4[nH]c[nH+]c4CN3C(=O)c3ccc(-c4ccccc4)cc3)n2)cc1 ZINC000015675972 555935357 /nfs/dbraw/zinc/93/53/57/555935357.db2.gz GDQRCOZHPMGREF-VWLOTQADSA-N 1 2 477.524 5.075 40 0 biogenic,in-vitro JKABLO COc1ccc(-c2noc([C@@H]3Cc4[nH+]c[nH]c4CN3C(=O)c3ccc(-c4ccccc4)cc3)n2)cc1 ZINC000015675972 555935360 /nfs/dbraw/zinc/93/53/60/555935360.db2.gz GDQRCOZHPMGREF-VWLOTQADSA-N 1 2 477.524 5.075 40 0 biogenic,in-vitro JKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(OC)c(Cl)c4)cc3n2)cc1 ZINC000022572970 555938028 /nfs/dbraw/zinc/93/80/28/555938028.db2.gz QRKBSNXNCWJYEW-UHFFFAOYSA-N 1 2 463.969 5.489 40 0 JKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=O)COc4ccc(Cl)cc4)cc3n2)cc1 ZINC000022572975 555938035 /nfs/dbraw/zinc/93/80/35/555938035.db2.gz NCPYUQQCHBVLJR-UHFFFAOYSA-N 1 2 463.969 5.246 40 0 JKABLO S=C(Nc1cc(Cl)ccc1Oc1ccccc1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000022573018 555938057 /nfs/dbraw/zinc/93/80/57/555938057.db2.gz QSRMLZIIPRUFNR-JXMROGBWSA-N 1 2 464.034 6.160 40 0 JKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(Cl)c(Cl)c4)cc3n2)cc1 ZINC000022704033 555942612 /nfs/dbraw/zinc/94/26/12/555942612.db2.gz HHTDSBUTQYDUSJ-UHFFFAOYSA-N 1 2 468.388 6.134 40 0 JKABLO Cc1cccc(NC(=S)N2CC[NH+](C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)c1Cl ZINC000022707931 555944463 /nfs/dbraw/zinc/94/44/63/555944463.db2.gz CPAVLLMTJYVDLB-UHFFFAOYSA-N 1 2 472.004 6.031 40 0 JKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=O)COc4ccc(Cl)c(C)c4)cc3n2)cc1 ZINC000022714172 555947123 /nfs/dbraw/zinc/94/71/23/555947123.db2.gz MWCNMYMDGGXNLY-UHFFFAOYSA-N 1 2 477.996 5.554 40 0 JKABLO CCCCc1ccc(NC(=S)N2CC[NH+](C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1 ZINC000022716379 555947704 /nfs/dbraw/zinc/94/77/04/555947704.db2.gz BSAGEIKFFVYMAW-UHFFFAOYSA-N 1 2 479.640 6.411 40 0 JKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)C=Cc4ccccc4)cc3n2)cc1 ZINC000022742183 555949494 /nfs/dbraw/zinc/94/94/94/555949494.db2.gz LFZAUUUMVCAAID-LFIBNONCSA-N 1 2 484.629 5.102 40 0 JKABLO Fc1ccc(C(c2ccc(F)cc2)[NH+]2CCN(C(=S)Nc3ccc(Cl)cc3Cl)CC2)cc1 ZINC000022750297 555952359 /nfs/dbraw/zinc/95/23/59/555952359.db2.gz YTKDPKXJDGGSIQ-UHFFFAOYSA-N 1 2 492.422 6.376 40 0 JKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=O)/C=C/c4ccc(Cl)cc4Cl)cc3n2)cc1 ZINC000022753098 555953074 /nfs/dbraw/zinc/95/30/74/555953074.db2.gz OFAAXEZETOJQBX-NTUHNPAUSA-N 1 2 494.426 6.534 40 0 JKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=O)c4cc(Cl)c(OC)c(Cl)c4)cc3n2)cc1 ZINC000022818654 555955005 /nfs/dbraw/zinc/95/50/05/555955005.db2.gz AXIDMMFBSOMHCD-UHFFFAOYSA-N 1 2 498.414 6.143 40 0 JKABLO CCCCN(CCCC)c1nc(N(CCCC)CCCC)[nH+]c(N(CCCC)CCCC)n1 ZINC000015772070 555991323 /nfs/dbraw/zinc/99/13/23/555991323.db2.gz VCPUPPVDZCTSMI-UHFFFAOYSA-N 1 2 462.771 7.091 40 0 JKABLO CCOC(=O)c1c(C)c(C)sc1NC(=O)CSc1[nH+]cnc2c1cnn2-c1ccc(C)c(C)c1 ZINC000012643261 556096740 /nfs/dbraw/zinc/09/67/40/556096740.db2.gz LCTSWLIZIUHICX-UHFFFAOYSA-N 1 2 495.630 5.018 40 0 JKABLO Cc1cc(C)cc(NC(=O)NC2CC[NH+](CC(=O)Nc3cc(C(F)(F)F)ccc3Cl)CC2)c1 ZINC000012644534 556097191 /nfs/dbraw/zinc/09/71/91/556097191.db2.gz VGUYVYHBRURNKU-UHFFFAOYSA-N 1 2 482.934 5.200 40 0 JKABLO Nc1c2cc3c(nc2sc1C(=O)Nc1cccc(Cl)c1Cl)CC[N@@H+](Cc1ccccc1)C3 ZINC000016479900 556140340 /nfs/dbraw/zinc/14/03/40/556140340.db2.gz BRBIUGWWXBKLFN-UHFFFAOYSA-N 1 2 483.424 5.996 40 0 JKABLO Nc1c2cc3c(nc2sc1C(=O)Nc1cccc(Cl)c1Cl)CC[N@H+](Cc1ccccc1)C3 ZINC000016479900 556140342 /nfs/dbraw/zinc/14/03/42/556140342.db2.gz BRBIUGWWXBKLFN-UHFFFAOYSA-N 1 2 483.424 5.996 40 0 JKABLO Cc1cccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3SCC(=O)OCc2ccccc2)c1 ZINC000016757735 556157738 /nfs/dbraw/zinc/15/77/38/556157738.db2.gz YHPBKKDQMRUWHB-UHFFFAOYSA-N 1 2 465.578 6.231 40 0 JKABLO CCOC(=O)C(C)(C)Sc1[nH+]cnc2c1c(-c1ccccc1)cn2-c1cccc(Cl)c1 ZINC000016757826 556157844 /nfs/dbraw/zinc/15/78/44/556157844.db2.gz DUEGBVAMQWSSDZ-UHFFFAOYSA-N 1 2 451.979 6.175 40 0 JKABLO CCCCCSc1[nH+]cnc2c1c(-c1ccccc1)cn2-c1ccc(Br)cc1 ZINC000016757990 556158075 /nfs/dbraw/zinc/15/80/75/556158075.db2.gz GIRRQTRTNLSFMV-UHFFFAOYSA-N 1 2 452.421 7.132 40 0 JKABLO Brc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3SCc2ccccc2)cc1 ZINC000016757957 556158090 /nfs/dbraw/zinc/15/80/90/556158090.db2.gz LNLHFXLCBAXQSF-UHFFFAOYSA-N 1 2 472.411 7.142 40 0 JKABLO CC[C@@H](Sc1[nH+]cnc2c1c(-c1ccccc1)cn2-c1ccc(Br)cc1)C(=O)OC ZINC000016757963 556158116 /nfs/dbraw/zinc/15/81/16/556158116.db2.gz JPTYEYFJWNQSBO-LJQANCHMSA-N 1 2 482.403 5.894 40 0 JKABLO Cc1cccc(CSc2[nH+]cnc3c2c(-c2ccccc2)cn3-c2ccc(Br)cc2)c1 ZINC000016757936 556158133 /nfs/dbraw/zinc/15/81/33/556158133.db2.gz MDLPZLUVQWGUNW-UHFFFAOYSA-N 1 2 486.438 7.451 40 0 JKABLO Cc1cccc(CSc2[nH+]cnc3c2c(-c2ccccc2)cn3-c2ccc(C)c(Cl)c2)c1 ZINC000016758021 556158144 /nfs/dbraw/zinc/15/81/44/556158144.db2.gz BZLYXLRDYREPMF-UHFFFAOYSA-N 1 2 456.014 7.650 40 0 JKABLO CCOC(=O)C(C)(C)Sc1[nH+]cnc2c1c(-c1ccccc1)cn2-c1ccc(Br)cc1 ZINC000016758009 556158151 /nfs/dbraw/zinc/15/81/51/556158151.db2.gz WGLIVGPJGSKAMU-UHFFFAOYSA-N 1 2 496.430 6.284 40 0 JKABLO O=C(CSc1[nH+]cnc2c1c(-c1ccccc1)cn2-c1ccc(Cl)cc1)c1ccccc1 ZINC000016757916 556158162 /nfs/dbraw/zinc/15/81/62/556158162.db2.gz RNKYDXRFBXRMLQ-UHFFFAOYSA-N 1 2 455.970 6.716 40 0 JKABLO Cc1ccc(C)c(CSc2[nH+]cnc3c2c(-c2ccccc2)cn3-c2ccc(Cl)c(C)c2)c1 ZINC000016758077 556158520 /nfs/dbraw/zinc/15/85/20/556158520.db2.gz PLTHRYIVQKLXRQ-UHFFFAOYSA-N 1 2 470.041 7.958 40 0 JKABLO Cc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3SCc2ccccc2C)cc1Cl ZINC000016758064 556158524 /nfs/dbraw/zinc/15/85/24/556158524.db2.gz JQZJTFWOAMJLIU-UHFFFAOYSA-N 1 2 456.014 7.650 40 0 JKABLO CC(C)(C)c1ccc(OC[C@H](O)C[NH+]2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000026781390 556262375 /nfs/dbraw/zinc/26/23/75/556262375.db2.gz DCBVFTIQCDHYAZ-HHHXNRCGSA-N 1 2 458.646 5.131 40 0 JKABLO Cc1cc(OC[C@@H](O)C[NH+]2CCN(C(c3ccccc3)c3ccccc3)CC2)cc(C)c1Cl ZINC000026781407 556262571 /nfs/dbraw/zinc/26/25/71/556262571.db2.gz SNFWKNCDNJHFQI-VWLOTQADSA-N 1 2 465.037 5.104 40 0 JKABLO Cc1ccc(OC[C@H](O)C[NH+]2CCN(C(c3ccccc3)c3ccccc3)CC2)c(C(C)(C)C)c1 ZINC000026781423 556262576 /nfs/dbraw/zinc/26/25/76/556262576.db2.gz PJRZOOCZBHCZAT-HHHXNRCGSA-N 1 2 472.673 5.439 40 0 JKABLO CC[C@@H](C)c1ccc(-n2c3nn(C[N@H+](C)Cc4ccc(C)cc4)c(=S)n3c3ccccc3c2=O)cc1 ZINC000013070154 556267319 /nfs/dbraw/zinc/26/73/19/556267319.db2.gz KFZDHMVAOGDTKG-OAQYLSRUSA-N 1 2 497.668 6.081 40 0 JKABLO CC[C@@H](C)c1ccc(-n2c3nn(C[N@@H+](C)Cc4ccc(C)cc4)c(=S)n3c3ccccc3c2=O)cc1 ZINC000013070154 556267323 /nfs/dbraw/zinc/26/73/23/556267323.db2.gz KFZDHMVAOGDTKG-OAQYLSRUSA-N 1 2 497.668 6.081 40 0 JKABLO CC[C@H](C)c1ccc(-n2c3nn(C[N@H+](C)Cc4ccccc4)c(=S)n3c3ccccc3c2=O)cc1 ZINC000013070696 556267996 /nfs/dbraw/zinc/26/79/96/556267996.db2.gz LJXSSDBPTHNSNP-FQEVSTJZSA-N 1 2 483.641 5.772 40 0 JKABLO CC[C@H](C)c1ccc(-n2c3nn(C[N@@H+](C)Cc4ccccc4)c(=S)n3c3ccccc3c2=O)cc1 ZINC000013070696 556267997 /nfs/dbraw/zinc/26/79/97/556267997.db2.gz LJXSSDBPTHNSNP-FQEVSTJZSA-N 1 2 483.641 5.772 40 0 JKABLO C[C@@H](NC(=O)COc1nc(C[NH+]2CCCCC2)nc2scc(-c3cccs3)c21)c1ccco1 ZINC000028616776 556337143 /nfs/dbraw/zinc/33/71/43/556337143.db2.gz KPCRDEWRZRWIDE-MRXNPFEDSA-N 1 2 482.631 5.255 40 0 JKABLO COc1ccc(CN2CCC[N@H+](Cc3ccc(OC)c(OC)c3)C2c2ccccc2)cc1OC ZINC000019325992 556341722 /nfs/dbraw/zinc/34/17/22/556341722.db2.gz RDFMJMRIPGFSPM-UHFFFAOYSA-N 1 2 462.590 5.128 40 0 JKABLO COc1ccc(CN2CCC[N@@H+](Cc3ccc(OC)c(OC)c3)C2c2ccccc2)cc1OC ZINC000019325992 556341727 /nfs/dbraw/zinc/34/17/27/556341727.db2.gz RDFMJMRIPGFSPM-UHFFFAOYSA-N 1 2 462.590 5.128 40 0 JKABLO CCOc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C3CCCCC3)[N@H+](CC)Cc3ccccc3)cc2c1 ZINC000019526622 556351502 /nfs/dbraw/zinc/35/15/02/556351502.db2.gz HRXNQVAROLHLPL-SANMLTNESA-N 1 2 486.620 5.030 40 0 JKABLO CCOc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C3CCCCC3)[N@@H+](CC)Cc3ccccc3)cc2c1 ZINC000019526622 556351504 /nfs/dbraw/zinc/35/15/04/556351504.db2.gz HRXNQVAROLHLPL-SANMLTNESA-N 1 2 486.620 5.030 40 0 JKABLO CC(C)(C)CC(=O)N[C@H]1[C@H](c2cccs2)[N@H+](Cc2cc(-c3ccccc3)no2)CC[C@@]1(C)O ZINC000514289836 560031801 /nfs/dbraw/zinc/03/18/01/560031801.db2.gz JAODLKSGEGKCPC-KYPHJKQUSA-N 1 2 467.635 5.022 40 0 biogenic,in-vitro JKABLO CC(C)(C)CC(=O)N[C@H]1[C@H](c2cccs2)[N@@H+](Cc2cc(-c3ccccc3)no2)CC[C@@]1(C)O ZINC000514289836 560031802 /nfs/dbraw/zinc/03/18/02/560031802.db2.gz JAODLKSGEGKCPC-KYPHJKQUSA-N 1 2 467.635 5.022 40 0 biogenic,in-vitro JKABLO COCCn1cc(-c2csc(NC(=O)Cc3[nH]c4c(cc(C)cc4C)[nH+]3)n2)c2ccccc21 ZINC000057775335 569601835 /nfs/dbraw/zinc/60/18/35/569601835.db2.gz ISXANLRVVGMAAO-UHFFFAOYSA-N 1 2 459.575 5.086 40 0 JKABLO CCOC(=O)C1CC[NH+](CC(=O)N2N=C3/C(=C\c4ccccc4)CCC[C@H]3[C@H]2c2ccccc2)CC1 ZINC000033740398 569633079 /nfs/dbraw/zinc/63/30/79/569633079.db2.gz DXRSYJAHPQMYFI-BLBNAKLGSA-N 1 2 485.628 5.085 40 0 JKABLO Cc1cc(C)c2[nH]c(=O)c(C[N@@H+](C[C@H]3CCCO3)[C@@H](c3nnnn3C3CCCCC3)C(C)C)cc2c1 ZINC000033937331 569638988 /nfs/dbraw/zinc/63/89/88/569638988.db2.gz CVXJVEFADUEDLH-AOYPEHQESA-N 1 2 492.668 5.015 40 0 JKABLO Cc1cc(C)c2[nH]c(=O)c(C[N@H+](C[C@H]3CCCO3)[C@@H](c3nnnn3C3CCCCC3)C(C)C)cc2c1 ZINC000033937331 569638989 /nfs/dbraw/zinc/63/89/89/569638989.db2.gz CVXJVEFADUEDLH-AOYPEHQESA-N 1 2 492.668 5.015 40 0 JKABLO COc1ccc(/C=C\CN2CC[NH+](C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1OC ZINC000065748888 569676619 /nfs/dbraw/zinc/67/66/19/569676619.db2.gz CELDOXOGIZIYPY-ARJAWSKDSA-N 1 2 464.556 5.402 40 0 in-vitro JKABLO CC(C)(C)c1nn(-c2ccc(Cl)cc2)c2[nH]c(=O)c(C[NH2+]c3ccc(N4CCOCC4)cc3)cc21 ZINC000072336308 569703445 /nfs/dbraw/zinc/70/34/45/569703445.db2.gz VKQVNQVPJVKZGI-UHFFFAOYSA-N 1 2 492.023 5.113 40 0 JKABLO O=S(=O)(c1ccccc1)c1ccc(CO[C@H](Cn2cc[nH+]c2)c2ccc(Cl)cc2Cl)cc1 ZINC000077292570 569705563 /nfs/dbraw/zinc/70/55/63/569705563.db2.gz OLNXMTIPPDWVGT-XMMPIXPASA-N 1 2 487.408 5.981 40 0 in-vitro JKABLO CCOc1ccc(C(C)C)cc1S(=O)(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000041091748 569837622 /nfs/dbraw/zinc/83/76/22/569837622.db2.gz OKESLPSCMGCCCJ-UHFFFAOYSA-N 1 2 478.658 5.305 40 0 JKABLO Cc1cc(S(=O)(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c(C)cc1Br ZINC000041091733 569837643 /nfs/dbraw/zinc/83/76/43/569837643.db2.gz RNPSMZLJOJBTSW-UHFFFAOYSA-N 1 2 499.474 5.162 40 0 JKABLO CC(C)(C)c1ccc(C(=O)c2cccc(NC(=O)c3cccc(C[NH+]4CCOCC4)c3)c2)cc1 ZINC000216446203 569878892 /nfs/dbraw/zinc/87/88/92/569878892.db2.gz ZPJRABUQASWDGL-UHFFFAOYSA-N 1 2 456.586 5.300 40 0 JKABLO COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2ccc([NH+](C)C)cc2)cc1 ZINC000223769704 569922732 /nfs/dbraw/zinc/92/27/32/569922732.db2.gz OBGVJILAHLCFKT-IZZNHLLZSA-N 1 2 469.614 5.124 40 0 JKABLO CC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc([NH+](C)C)cc2)cc1 ZINC000223983783 569929443 /nfs/dbraw/zinc/92/94/43/569929443.db2.gz JCTXQWSVMOUQED-SXOMAYOGSA-N 1 2 496.640 5.074 40 0 JKABLO CCc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc([NH+](C)C)cc2)cc1 ZINC000224343224 569941286 /nfs/dbraw/zinc/94/12/86/569941286.db2.gz ZYZQLIFTONDSMN-SVBPBHIXSA-N 1 2 467.642 5.678 40 0 JKABLO CC(C)c1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc([NH+](C)C)cc2)cc1 ZINC000224375376 569942461 /nfs/dbraw/zinc/94/24/61/569942461.db2.gz PASDNYARETWSGD-IZLXSDGUSA-N 1 2 481.669 6.239 40 0 JKABLO C[NH+](C)c1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)cc1 ZINC000224406996 569943602 /nfs/dbraw/zinc/94/36/02/569943602.db2.gz JVDUONYHHDRYIP-LOSJGSFVSA-N 1 2 457.578 5.255 40 0 JKABLO C[NH+](C)c1ccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)cc1 ZINC000224406962 569943646 /nfs/dbraw/zinc/94/36/46/569943646.db2.gz JVDUONYHHDRYIP-RPBOFIJWSA-N 1 2 457.578 5.255 40 0 JKABLO C[NH+](C)c1ccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)cc1 ZINC000224472203 569945455 /nfs/dbraw/zinc/94/54/55/569945455.db2.gz YFAVOLUYUMVIQU-DQEYMECFSA-N 1 2 474.033 5.769 40 0 JKABLO COc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2ccc([NH+](C)C)cc2)c1 ZINC000224540090 569947700 /nfs/dbraw/zinc/94/77/00/569947700.db2.gz VFAJOZFUERXNHI-IZZNHLLZSA-N 1 2 469.614 5.124 40 0 JKABLO CCOc1ccc(C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)cc1COc1cc(C)cc(C)c1 ZINC000224538825 569947715 /nfs/dbraw/zinc/94/77/15/569947715.db2.gz YEAHYDNREZNPTR-DHZHZOJOSA-N 1 2 484.640 5.752 40 0 JKABLO COc1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc([NH+](C)C)cc1 ZINC000224575500 569949142 /nfs/dbraw/zinc/94/91/42/569949142.db2.gz BQJJKNBCCBLXDR-FTJBHMTQSA-N 1 2 469.614 5.124 40 0 JKABLO COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2ccc([NH+](C)C)cc2)c(OC)c1 ZINC000224814349 569958810 /nfs/dbraw/zinc/95/88/10/569958810.db2.gz XBMYQHFUFQKGGK-KAYWLYCHSA-N 1 2 499.640 5.133 40 0 JKABLO CCOc1ccc(-c2cnc(-c3ccccc3C(=O)N3CC[NH+](C/C=C/c4ccccc4)CC3)o2)cc1 ZINC000224923885 569963527 /nfs/dbraw/zinc/96/35/27/569963527.db2.gz FHDJONBXEDINFO-DHZHZOJOSA-N 1 2 493.607 5.879 40 0 JKABLO C[NH+](C)c1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCCNc2ccccc2)cc1 ZINC000225050875 569971937 /nfs/dbraw/zinc/97/19/37/569971937.db2.gz VUSKAZOJMONBAB-VSGBNLITSA-N 1 2 496.684 5.413 40 0 JKABLO CC(C)Oc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc([NH+](C)C)cc2)cc1 ZINC000225350579 569992198 /nfs/dbraw/zinc/99/21/98/569992198.db2.gz NOQGBVOBOVFDDE-NSOVKSMOSA-N 1 2 497.668 5.903 40 0 JKABLO O=C(COC(=O)C[NH+](Cc1ccccc1)Cc1ccccc1)Nc1cccc(Cl)c1Cl ZINC000408671094 570007502 /nfs/dbraw/zinc/00/75/02/570007502.db2.gz SPZZWCZYZAXVID-UHFFFAOYSA-N 1 2 457.357 5.178 40 0 JKABLO O=C(Nc1ccc(OCc2ccccc2)cc1)c1ccc(C[NH+]2CCN(Cc3ccccc3)CC2)cc1 ZINC000408824836 570052332 /nfs/dbraw/zinc/05/23/32/570052332.db2.gz AGQPIKMZTMJYPR-UHFFFAOYSA-N 1 2 491.635 5.836 40 0 JKABLO CCc1ccc(-n2c3nn(C[N@@H+]4CCC[C@@H]5CCCC[C@H]54)c(=S)n3c3ccccc3c2=O)cc1 ZINC000245237062 570057206 /nfs/dbraw/zinc/05/72/06/570057206.db2.gz DLSIUUOBBCUDPG-NZQKXSOJSA-N 1 2 473.646 5.344 40 0 JKABLO CCc1ccc(-n2c3nn(C[N@H+]4CCC[C@@H]5CCCC[C@H]54)c(=S)n3c3ccccc3c2=O)cc1 ZINC000245237062 570057207 /nfs/dbraw/zinc/05/72/07/570057207.db2.gz DLSIUUOBBCUDPG-NZQKXSOJSA-N 1 2 473.646 5.344 40 0 JKABLO C=C1[NH+]=C(SCc2cccc(F)c2)N[C@H](c2cccc(Cl)c2Cl)C1C(=O)OCC ZINC000408989108 570093369 /nfs/dbraw/zinc/09/33/69/570093369.db2.gz JXCZMPIRYAQIQI-LJQANCHMSA-N 1 2 453.366 5.903 40 0 JKABLO CCC[C@@H](c1nnnn1C(C)(C)CC)[N@@H+](Cc1cc2cc(C)cc(C)c2[nH]c1=O)C[C@H]1CCCO1 ZINC000253500302 570101391 /nfs/dbraw/zinc/10/13/91/570101391.db2.gz AVQLVFWNECUYQN-PKTZIBPZSA-N 1 2 480.657 5.211 40 0 JKABLO CCC[C@@H](c1nnnn1C(C)(C)CC)[N@H+](Cc1cc2cc(C)cc(C)c2[nH]c1=O)C[C@H]1CCCO1 ZINC000253500302 570101392 /nfs/dbraw/zinc/10/13/92/570101392.db2.gz AVQLVFWNECUYQN-PKTZIBPZSA-N 1 2 480.657 5.211 40 0 JKABLO Cc1cc2cc(C[N@@H+](C[C@H]3CCCO3)[C@H](c3nnnn3C3CCCCC3)C(C)C)c(=O)[nH]c2cc1C ZINC000253500296 570101400 /nfs/dbraw/zinc/10/14/00/570101400.db2.gz AROSIMDYIAPRSY-RSXGOPAZSA-N 1 2 492.668 5.427 40 0 JKABLO Cc1cc2cc(C[N@H+](C[C@H]3CCCO3)[C@H](c3nnnn3C3CCCCC3)C(C)C)c(=O)[nH]c2cc1C ZINC000253500296 570101401 /nfs/dbraw/zinc/10/14/01/570101401.db2.gz AROSIMDYIAPRSY-RSXGOPAZSA-N 1 2 492.668 5.427 40 0 JKABLO CCC[C@@H](c1nnnn1C1CCCCC1)[N@@H+](Cc1cc2cccc(C)c2[nH]c1=O)C[C@H]1CCCO1 ZINC000253500428 570101740 /nfs/dbraw/zinc/10/17/40/570101740.db2.gz MWYLKDQALXQDIH-RPWUZVMVSA-N 1 2 478.641 5.263 40 0 JKABLO CCC[C@@H](c1nnnn1C1CCCCC1)[N@H+](Cc1cc2cccc(C)c2[nH]c1=O)C[C@H]1CCCO1 ZINC000253500428 570101741 /nfs/dbraw/zinc/10/17/41/570101741.db2.gz MWYLKDQALXQDIH-RPWUZVMVSA-N 1 2 478.641 5.263 40 0 JKABLO CC[C@@H](c1nnnn1C1CCCCC1)[N@@H+](Cc1cc2cc(C)c(C)cc2[nH]c1=O)C[C@H]1CCCO1 ZINC000253500462 570102072 /nfs/dbraw/zinc/10/20/72/570102072.db2.gz PGUFOLGINAZJMZ-NOZRDPDXSA-N 1 2 478.641 5.181 40 0 JKABLO CC[C@@H](c1nnnn1C1CCCCC1)[N@H+](Cc1cc2cc(C)c(C)cc2[nH]c1=O)C[C@H]1CCCO1 ZINC000253500462 570102073 /nfs/dbraw/zinc/10/20/73/570102073.db2.gz PGUFOLGINAZJMZ-NOZRDPDXSA-N 1 2 478.641 5.181 40 0 JKABLO CCC[C@H](c1nnnn1C1CCCCC1)[N@@H+](Cc1cc2cc(C)ccc2[nH]c1=O)C[C@H]1CCCO1 ZINC000253500635 570102358 /nfs/dbraw/zinc/10/23/58/570102358.db2.gz ZXABNPZDTYUJKL-ILBGXUMGSA-N 1 2 478.641 5.263 40 0 JKABLO CCC[C@H](c1nnnn1C1CCCCC1)[N@H+](Cc1cc2cc(C)ccc2[nH]c1=O)C[C@H]1CCCO1 ZINC000253500635 570102359 /nfs/dbraw/zinc/10/23/59/570102359.db2.gz ZXABNPZDTYUJKL-ILBGXUMGSA-N 1 2 478.641 5.263 40 0 JKABLO CC1(C)Oc2ccc(Cl)cc2[C@@H]2O[C@@H]3CCCN(C(=O)c4cccc(Cn5cc[nH+]c5)c4)[C@@H]3C[C@H]21 ZINC000257205486 570109434 /nfs/dbraw/zinc/10/94/34/570109434.db2.gz AZHKIHYIBDJJAH-YUEVXQQWSA-N 1 2 492.019 5.507 40 0 JKABLO O=C(OCc1ccccc1)N1C[C@@H](O)[C@H]([N@H+](Cc2cccc(Cl)c2)Cc2cc(F)ccc2F)C1 ZINC000257241064 570120542 /nfs/dbraw/zinc/12/05/42/570120542.db2.gz HWLCEFQOBDGYFC-JWQCQUIFSA-N 1 2 486.946 5.002 40 0 JKABLO O=C(OCc1ccccc1)N1C[C@@H](O)[C@H]([N@@H+](Cc2cccc(Cl)c2)Cc2cc(F)ccc2F)C1 ZINC000257241064 570120543 /nfs/dbraw/zinc/12/05/43/570120543.db2.gz HWLCEFQOBDGYFC-JWQCQUIFSA-N 1 2 486.946 5.002 40 0 JKABLO Cc1ccc(-c2csc(NC(=O)C[N@H+]3CC[C@@](O)(CC(C)C)[C@@H](Oc4ccc(F)cc4)C3)n2)cc1 ZINC000257249929 570123235 /nfs/dbraw/zinc/12/32/35/570123235.db2.gz JKHJSZQEKVUJJM-RPLLCQBOSA-N 1 2 497.636 5.127 40 0 JKABLO Cc1ccc(-c2csc(NC(=O)C[N@@H+]3CC[C@@](O)(CC(C)C)[C@@H](Oc4ccc(F)cc4)C3)n2)cc1 ZINC000257249929 570123237 /nfs/dbraw/zinc/12/32/37/570123237.db2.gz JKHJSZQEKVUJJM-RPLLCQBOSA-N 1 2 497.636 5.127 40 0 JKABLO O=C(c1cccc(Cn2cc[nH+]c2)c1)N1CCC[C@@H]1c1n[nH]cc1-c1cccc(C(F)(F)F)c1 ZINC000257259427 570126192 /nfs/dbraw/zinc/12/61/92/570126192.db2.gz KYHLQYHTCLNVFQ-JOCHJYFZSA-N 1 2 465.479 5.318 40 0 JKABLO Cc1[nH]c2ccc(CCC(=O)N3CCCC[C@@H]3c3n[nH]cc3-c3ccc(C(F)(F)F)cc3)cc2[nH+]1 ZINC000257267509 570128819 /nfs/dbraw/zinc/12/88/19/570128819.db2.gz MHPKGAQEZMREFW-HSZRJFAPSA-N 1 2 481.522 5.967 40 0 JKABLO Cc1[nH]c2cc(CCC(=O)N3CCCC[C@@H]3c3n[nH]cc3-c3ccc(C(F)(F)F)cc3)ccc2[nH+]1 ZINC000257267509 570128820 /nfs/dbraw/zinc/12/88/20/570128820.db2.gz MHPKGAQEZMREFW-HSZRJFAPSA-N 1 2 481.522 5.967 40 0 JKABLO CC(C)c1cc(-c2cc(N[C@@H](C)CCc3ccccc3)nc(N)[nH+]2)n(-c2ccc(Cl)cc2)n1 ZINC000257268807 570129304 /nfs/dbraw/zinc/12/93/04/570129304.db2.gz MNGYRJXPDVVBPB-SFHVURJKSA-N 1 2 461.013 6.122 40 0 JKABLO Cc1[nH]ncc1C[N@H+]1CCC[C@@](COc2ccc(Cl)c(C)c2)(CC(=O)N(C)Cc2ccccc2)C1 ZINC000257277562 570131932 /nfs/dbraw/zinc/13/19/32/570131932.db2.gz NYLQAUZIYUQSGH-MUUNZHRXSA-N 1 2 495.067 5.390 40 0 JKABLO Cc1[nH]ncc1C[N@@H+]1CCC[C@@](COc2ccc(Cl)c(C)c2)(CC(=O)N(C)Cc2ccccc2)C1 ZINC000257277562 570131933 /nfs/dbraw/zinc/13/19/33/570131933.db2.gz NYLQAUZIYUQSGH-MUUNZHRXSA-N 1 2 495.067 5.390 40 0 JKABLO O=C(OCc1ccccc1)N1C[C@@H](O)[C@H]([N@H+](Cc2ccccc2)Cc2cc(Cl)ccc2Cl)C1 ZINC000257286768 570134666 /nfs/dbraw/zinc/13/46/66/570134666.db2.gz PMYWMGCPUXBGCC-JWQCQUIFSA-N 1 2 485.411 5.378 40 0 JKABLO O=C(OCc1ccccc1)N1C[C@@H](O)[C@H]([N@@H+](Cc2ccccc2)Cc2cc(Cl)ccc2Cl)C1 ZINC000257286768 570134667 /nfs/dbraw/zinc/13/46/67/570134667.db2.gz PMYWMGCPUXBGCC-JWQCQUIFSA-N 1 2 485.411 5.378 40 0 JKABLO O=C(c1cccc(Cn2cc[nH+]c2)c1)N1CCCC[C@@H]1c1n[nH]cc1-c1ccc(C(F)(F)F)cc1 ZINC000257289046 570135303 /nfs/dbraw/zinc/13/53/03/570135303.db2.gz PWSYONMJBMDPKB-HSZRJFAPSA-N 1 2 479.506 5.708 40 0 JKABLO O=C(C[N@H+]1CC[C@@]2(CN(c3cccc(Cl)c3)C(=O)O2)C1)Nc1ccccc1-c1ccccc1 ZINC000257307330 570140553 /nfs/dbraw/zinc/14/05/53/570140553.db2.gz SYFDWZRXUJAMTN-SANMLTNESA-N 1 2 461.949 5.047 40 0 JKABLO O=C(C[N@@H+]1CC[C@@]2(CN(c3cccc(Cl)c3)C(=O)O2)C1)Nc1ccccc1-c1ccccc1 ZINC000257307330 570140554 /nfs/dbraw/zinc/14/05/54/570140554.db2.gz SYFDWZRXUJAMTN-SANMLTNESA-N 1 2 461.949 5.047 40 0 JKABLO CC(=O)c1ccc(NC(=O)C[N@@H+]2CC[C@@H]3O[C@@H]4c5cc(Cl)ccc5OC(C)(C)[C@H]4C[C@H]3C2)cc1 ZINC000257311080 570141707 /nfs/dbraw/zinc/14/17/07/570141707.db2.gz UHVVCBFSTPWVFW-SHWFOLOFSA-N 1 2 483.008 5.120 40 0 JKABLO CC(=O)c1ccc(NC(=O)C[N@H+]2CC[C@@H]3O[C@@H]4c5cc(Cl)ccc5OC(C)(C)[C@H]4C[C@H]3C2)cc1 ZINC000257311080 570141708 /nfs/dbraw/zinc/14/17/08/570141708.db2.gz UHVVCBFSTPWVFW-SHWFOLOFSA-N 1 2 483.008 5.120 40 0 JKABLO Cc1sc(NC(=O)C[N@@H+]2CC[C@]3(CCCO3)[C@@H](OCc3ccccc3)C2)nc1-c1ccc(F)cc1 ZINC000257334047 570148689 /nfs/dbraw/zinc/14/86/89/570148689.db2.gz YEIGJCZCWLXLGX-WNCULLNHSA-N 1 2 495.620 5.036 40 0 JKABLO Cc1sc(NC(=O)C[N@H+]2CC[C@]3(CCCO3)[C@@H](OCc3ccccc3)C2)nc1-c1ccc(F)cc1 ZINC000257334047 570148690 /nfs/dbraw/zinc/14/86/90/570148690.db2.gz YEIGJCZCWLXLGX-WNCULLNHSA-N 1 2 495.620 5.036 40 0 JKABLO Cc1sc(NC(=O)C[N@@H+]2CC[C@]3(CCCO3)[C@H](OCc3ccccc3)C2)nc1-c1ccc(F)cc1 ZINC000257334048 570148703 /nfs/dbraw/zinc/14/87/03/570148703.db2.gz YEIGJCZCWLXLGX-YIXXDRMTSA-N 1 2 495.620 5.036 40 0 JKABLO Cc1sc(NC(=O)C[N@H+]2CC[C@]3(CCCO3)[C@H](OCc3ccccc3)C2)nc1-c1ccc(F)cc1 ZINC000257334048 570148704 /nfs/dbraw/zinc/14/87/04/570148704.db2.gz YEIGJCZCWLXLGX-YIXXDRMTSA-N 1 2 495.620 5.036 40 0 JKABLO CCCC1=C(C(=O)OCC)[C@H](c2cccc(OCc3ccc(Cl)cc3Cl)c2)N2NC=NC2=[NH+]1 ZINC000409176623 570157185 /nfs/dbraw/zinc/15/71/85/570157185.db2.gz SSOZDLBLYVFCRG-QFIPXVFZSA-N 1 2 487.387 5.449 40 0 JKABLO CCCC1=C(C(=O)OCC)[C@H](c2cccc(OCc3ccc(Cl)cc3Cl)c2)N2NC=[NH+]C2=N1 ZINC000409176623 570157186 /nfs/dbraw/zinc/15/71/86/570157186.db2.gz SSOZDLBLYVFCRG-QFIPXVFZSA-N 1 2 487.387 5.449 40 0 JKABLO CCCC1=C(C(=O)OCC)[C@@H](c2cccc(OCc3ccc(Cl)cc3Cl)c2)N2NC=NC2=[NH+]1 ZINC000409176622 570157198 /nfs/dbraw/zinc/15/71/98/570157198.db2.gz SSOZDLBLYVFCRG-JOCHJYFZSA-N 1 2 487.387 5.449 40 0 JKABLO CCCC1=C(C(=O)OCC)[C@@H](c2cccc(OCc3ccc(Cl)cc3Cl)c2)N2NC=[NH+]C2=N1 ZINC000409176622 570157199 /nfs/dbraw/zinc/15/71/99/570157199.db2.gz SSOZDLBLYVFCRG-JOCHJYFZSA-N 1 2 487.387 5.449 40 0 JKABLO CCCC1=C(C(=O)OCC)[C@H](c2cccc(OCc3ccc(Cl)c(Cl)c3)c2)N2NC=NC2=[NH+]1 ZINC000409177065 570157278 /nfs/dbraw/zinc/15/72/78/570157278.db2.gz BZZHGMXRODAWPS-QFIPXVFZSA-N 1 2 487.387 5.449 40 0 JKABLO CCCC1=C(C(=O)OCC)[C@H](c2cccc(OCc3ccc(Cl)c(Cl)c3)c2)N2NC=[NH+]C2=N1 ZINC000409177065 570157279 /nfs/dbraw/zinc/15/72/79/570157279.db2.gz BZZHGMXRODAWPS-QFIPXVFZSA-N 1 2 487.387 5.449 40 0 JKABLO CCCC1=C(C(=O)OCC)[C@H](c2ccc(OCc3c(Cl)cccc3Cl)cc2)N2NC=NC2=[NH+]1 ZINC000409176949 570157282 /nfs/dbraw/zinc/15/72/82/570157282.db2.gz BYWXMGIKNJKHAX-QFIPXVFZSA-N 1 2 487.387 5.449 40 0 JKABLO CCCC1=C(C(=O)OCC)[C@H](c2ccc(OCc3c(Cl)cccc3Cl)cc2)N2NC=[NH+]C2=N1 ZINC000409176949 570157283 /nfs/dbraw/zinc/15/72/83/570157283.db2.gz BYWXMGIKNJKHAX-QFIPXVFZSA-N 1 2 487.387 5.449 40 0 JKABLO CCCC1=C(C(=O)OCC)[C@H](c2ccc(OCc3ccccc3Cl)c(OCC)c2)N2NC=NC2=[NH+]1 ZINC000409182525 570159890 /nfs/dbraw/zinc/15/98/90/570159890.db2.gz MCPQRVOJPSKTFE-DEOSSOPVSA-N 1 2 496.995 5.194 40 0 JKABLO CCCC1=C(C(=O)OCC)[C@H](c2ccc(OCc3ccccc3Cl)c(OCC)c2)N2NC=[NH+]C2=N1 ZINC000409182525 570159892 /nfs/dbraw/zinc/15/98/92/570159892.db2.gz MCPQRVOJPSKTFE-DEOSSOPVSA-N 1 2 496.995 5.194 40 0 JKABLO O=c1[nH]c(SCc2ccc(Cl)cc2)n[n+]2c1-c1ccccc1N[C@@H]2c1cccc(O)c1Cl ZINC000261361977 570167350 /nfs/dbraw/zinc/16/73/50/570167350.db2.gz BOCWQUKZKJFNBZ-NRFANRHFSA-O 1 2 484.388 5.414 40 0 JKABLO CCCCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@@H]2c1ccccc1OCCC ZINC000261362791 570167672 /nfs/dbraw/zinc/16/76/72/570167672.db2.gz FCYQZLXPTXYTIU-VWLOTQADSA-O 1 2 479.626 5.121 40 0 JKABLO CCCCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@H]2c1ccccc1OCCC ZINC000261362790 570167676 /nfs/dbraw/zinc/16/76/76/570167676.db2.gz FCYQZLXPTXYTIU-RUZDIDTESA-O 1 2 479.626 5.121 40 0 JKABLO CCCCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@H]2c1ccc(OCCC)cc1 ZINC000261363073 570167759 /nfs/dbraw/zinc/16/77/59/570167759.db2.gz FUQBWPGXGXBBMY-RUZDIDTESA-O 1 2 479.626 5.121 40 0 JKABLO CCCCCCSc1n[n+]2c(c(=O)[nH]1)-c1cc(Br)ccc1N[C@H]2c1ccc(O)cc1 ZINC000261363206 570167844 /nfs/dbraw/zinc/16/78/44/570167844.db2.gz GKUSCYGHNCNXPD-HXUWFJFHSA-O 1 2 488.431 5.250 40 0 JKABLO CCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N[C@H]2c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 ZINC000261363865 570168188 /nfs/dbraw/zinc/16/81/88/570168188.db2.gz XURFDKKFLBQDCI-JOCHJYFZSA-O 1 2 465.643 5.522 40 0 JKABLO CCCOc1ccc2ccccc2c1[C@@H]1N(C(C)=O)c2ccccc2-c2c(=O)[nH]c(SCC)n[n+]21 ZINC000261363767 570168238 /nfs/dbraw/zinc/16/82/38/570168238.db2.gz IDHNLHYRDMHOPW-AREMUKBSSA-O 1 2 487.605 5.104 40 0 JKABLO CCCCCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@H]2c1c(F)cccc1Cl ZINC000261364538 570168564 /nfs/dbraw/zinc/16/85/64/570168564.db2.gz LZUPCGPNQSLSHT-HSZRJFAPSA-O 1 2 488.008 5.515 40 0 JKABLO CCCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@@H]2c1ccc(OC2CCCC2)cc1 ZINC000261365129 570168955 /nfs/dbraw/zinc/16/89/55/570168955.db2.gz QEOIXVHYFHMAJU-SANMLTNESA-O 1 2 491.637 5.264 40 0 JKABLO CSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@@H]2c1ccc(-c2cccc(C(F)(F)F)c2)o1 ZINC000261365466 570169075 /nfs/dbraw/zinc/16/90/75/570169075.db2.gz SMTWNEKKSKLTKJ-QFIPXVFZSA-O 1 2 499.494 5.051 40 0 JKABLO CCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N[C@H]2c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 ZINC000261365310 570169113 /nfs/dbraw/zinc/16/91/13/570169113.db2.gz RHIOTAZOLZHYOV-HSZRJFAPSA-O 1 2 479.670 5.912 40 0 JKABLO CC(C)(C)Nc1nc(NCc2ccccc2Cl)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000328957641 570179279 /nfs/dbraw/zinc/17/92/79/570179279.db2.gz AKISWDIRGRHZTJ-UHFFFAOYSA-N 1 2 450.892 6.518 40 0 JKABLO CC(C)Nc1nc(Nc2ccc(Br)c(C(F)(F)F)c2)cc(-c2ccccc2)[nH+]1 ZINC000328961940 570179525 /nfs/dbraw/zinc/17/95/25/570179525.db2.gz BFRKSSDXAJCXGF-UHFFFAOYSA-N 1 2 451.290 5.333 40 0 JKABLO Clc1cccc(Nc2cc(N3CCc4ccc(Br)cc4C3)[nH+]c(C3CC3)n2)c1 ZINC000328966947 570179829 /nfs/dbraw/zinc/17/98/29/570179829.db2.gz CPKMRKNTOLWCAU-UHFFFAOYSA-N 1 2 455.787 6.076 40 0 JKABLO Clc1cccc(Nc2cc(N3CCc4ccc(Br)cc4C3)nc(C3CC3)[nH+]2)c1 ZINC000328966947 570179830 /nfs/dbraw/zinc/17/98/30/570179830.db2.gz CPKMRKNTOLWCAU-UHFFFAOYSA-N 1 2 455.787 6.076 40 0 JKABLO Fc1cc(F)cc(CNc2cc(-c3cccc(OC(F)(F)F)c3)[nH+]c(NC3CCCC3)n2)c1 ZINC000329003426 570181213 /nfs/dbraw/zinc/18/12/13/570181213.db2.gz KMZLKBUIXJSXOJ-UHFFFAOYSA-N 1 2 464.438 5.131 40 0 JKABLO CC[C@H](C)Nc1nc(NCc2cccc(Cl)c2)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000329008121 570181328 /nfs/dbraw/zinc/18/13/28/570181328.db2.gz LPQIPXLRIZVBOW-AWEZNQCLSA-N 1 2 450.892 5.362 40 0 JKABLO CC[C@@H](C)Nc1nc(NCc2ccc(Br)cc2)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000329007578 570181345 /nfs/dbraw/zinc/18/13/45/570181345.db2.gz LLBZTRAODHIESK-CQSZACIVSA-N 1 2 495.343 5.471 40 0 JKABLO Cc1cc(Br)cc(C)c1Nc1cc(-c2ccccc2)[nH+]c(NC2CCCCC2)n1 ZINC000329006333 570181420 /nfs/dbraw/zinc/18/14/20/570181420.db2.gz LDIJAKVGBJBLAH-UHFFFAOYSA-N 1 2 451.412 5.855 40 0 JKABLO CNc1nc(Nc2c(C)cc(Br)cc2C)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000329012099 570181512 /nfs/dbraw/zinc/18/15/12/570181512.db2.gz MJJWSIFNRYYEQS-UHFFFAOYSA-N 1 2 467.289 5.051 40 0 JKABLO CC(C)(C)c1ccc(Nc2cc(-c3cccc(OC(F)(F)F)c3)[nH+]c(NCCCO)n2)cc1 ZINC000329012686 570181684 /nfs/dbraw/zinc/18/16/84/570181684.db2.gz MMDJSIOLJCHVCU-UHFFFAOYSA-N 1 2 460.500 5.878 40 0 JKABLO FC(F)(F)Oc1cccc(-c2cc(NCCc3ccccc3)nc(NC3CCCCC3)[nH+]2)c1 ZINC000329043791 570182933 /nfs/dbraw/zinc/18/29/33/570182933.db2.gz SUYWWXMGODTWGU-UHFFFAOYSA-N 1 2 456.512 5.285 40 0 JKABLO CNc1nc(Nc2cccc(SC(F)(F)F)c2)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000329069418 570183804 /nfs/dbraw/zinc/18/38/04/570183804.db2.gz YXKSBRNJZIOOMR-UHFFFAOYSA-N 1 2 460.403 5.283 40 0 JKABLO CCNc1nc(Nc2ccc(Cl)c(C(F)(F)F)c2)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000329071269 570184038 /nfs/dbraw/zinc/18/40/38/570184038.db2.gz ZOGAWCGVIGRHDT-UHFFFAOYSA-N 1 2 476.808 5.734 40 0 JKABLO COC(=O)c1c(NC(=O)/C(=C/c2ccccc2Cl)c2ccccc2)sc2c1CC[N@H+](C)C2 ZINC000408563459 570202204 /nfs/dbraw/zinc/20/22/04/570202204.db2.gz MYDDFTQUVRUAQM-XMHGGMMESA-N 1 2 466.990 5.355 40 0 JKABLO COC(=O)c1c(NC(=O)/C(=C/c2ccccc2Cl)c2ccccc2)sc2c1CC[N@@H+](C)C2 ZINC000408563459 570202205 /nfs/dbraw/zinc/20/22/05/570202205.db2.gz MYDDFTQUVRUAQM-XMHGGMMESA-N 1 2 466.990 5.355 40 0 JKABLO Cc1ccc(/N=c2\scc(-c3ccc(Oc4ccccc4)cc3)n2CC[NH+]2CCOCC2)cc1 ZINC000001468282 194125099 /nfs/dbraw/zinc/12/50/99/194125099.db2.gz YDLOITDEUXJNHD-ZIADKAODSA-N 1 2 471.626 5.882 40 0 JKABLO CC[C@H](C)Oc1cccc(C(=O)Nc2cc3nn(-c4ccc([NH+](CC)CC)cc4C)nc3cc2C)c1 ZINC000020611090 195184500 /nfs/dbraw/zinc/18/45/00/195184500.db2.gz YJFBLROLGNTWGU-NRFANRHFSA-N 1 2 485.632 6.313 40 0 JKABLO CC[C@@H](C)Oc1ccc(C(=O)Nc2cc3nn(-c4ccc([NH+](CC)CC)cc4)nc3cc2C)cc1 ZINC000020611048 195184535 /nfs/dbraw/zinc/18/45/35/195184535.db2.gz FLPVIHGKNGEJSX-HXUWFJFHSA-N 1 2 471.605 6.005 40 0 JKABLO CC[C@H](C)Oc1ccc(C(=O)Nc2cc3nn(-c4ccc([NH+](CC)CC)cc4)nc3cc2C)cc1 ZINC000020611050 195184625 /nfs/dbraw/zinc/18/46/25/195184625.db2.gz FLPVIHGKNGEJSX-FQEVSTJZSA-N 1 2 471.605 6.005 40 0 JKABLO CC[C@H](C)Oc1cccc(C(=O)Nc2cc3nn(-c4ccc([NH+](CC)CC)cc4)nc3cc2C)c1 ZINC000020611045 195184739 /nfs/dbraw/zinc/18/47/39/195184739.db2.gz PCGKKTYCSKFGSM-FQEVSTJZSA-N 1 2 471.605 6.005 40 0 JKABLO COc1ccc(OC)c([C@H]2C(C(=O)Nc3ccc(Cl)cc3)=C(C)Nc3[nH+]c4ccccc4n32)c1 ZINC000020797538 195225970 /nfs/dbraw/zinc/22/59/70/195225970.db2.gz XDYJTJRCENDWNV-DEOSSOPVSA-N 1 2 474.948 5.635 40 0 JKABLO Cc1ccc(NC(=O)C2=C(C)Nc3[nH+]c4ccccc4n3[C@@H]2c2cccc(Br)c2)cc1 ZINC000020797349 195225992 /nfs/dbraw/zinc/22/59/92/195225992.db2.gz LQCHPARGPBJHDT-HSZRJFAPSA-N 1 2 473.374 6.035 40 0 JKABLO COc1cc([C@@H]2C(C(=O)Nc3ccc(Cl)cc3)=C(C)Nc3[nH+]c4ccccc4n32)ccc1O ZINC000020797555 195226032 /nfs/dbraw/zinc/22/60/32/195226032.db2.gz TZFSYINDJHGTKU-HSZRJFAPSA-N 1 2 460.921 5.332 40 0 JKABLO COc1ccc([C@@H]2C(C(=O)Nc3ccc(Cl)cc3)=C(C)Nc3[nH+]c4ccccc4n32)cc1OC ZINC000020797548 195226067 /nfs/dbraw/zinc/22/60/67/195226067.db2.gz XKJJGQGRVINBAY-XMMPIXPASA-N 1 2 474.948 5.635 40 0 JKABLO CCc1ccc(NC(=O)C2=C(C)Nc3[nH+]c4ccccc4n3[C@@H]2c2ccc(C(C)C)cc2)cc1 ZINC000020970021 195257354 /nfs/dbraw/zinc/25/73/54/195257354.db2.gz FWUFWIYIJNVVLQ-HHHXNRCGSA-N 1 2 450.586 6.650 40 0 JKABLO CC1=C(C(=O)Nc2ccc(F)cc2)[C@H](c2cccc(Br)c2)n2c3ccccc3[nH+]c2N1 ZINC000020969954 195257360 /nfs/dbraw/zinc/25/73/60/195257360.db2.gz CXFJBYTUFOYTFQ-QFIPXVFZSA-N 1 2 477.337 5.866 40 0 JKABLO CCOc1cc([C@@H]2C(C(=O)Nc3ccc(F)cc3)=C(C)Nc3[nH+]c4ccccc4n32)ccc1O ZINC000020969990 195257444 /nfs/dbraw/zinc/25/74/44/195257444.db2.gz HHJGYHBUJCREBI-XMMPIXPASA-N 1 2 458.493 5.207 40 0 JKABLO CCc1ccc(NC(=O)C2=C(C)Nc3[nH+]c4ccccc4n3[C@@H]2c2ccc(Cl)cc2Cl)cc1 ZINC000020970164 195257498 /nfs/dbraw/zinc/25/74/98/195257498.db2.gz ABBIMNHIOFQIGZ-XMMPIXPASA-N 1 2 477.395 6.833 40 0 JKABLO CCOc1ccc([C@@H]2C(C(=O)Nc3ccc(OC)cc3)=C(C)Nc3[nH+]c4ccccc4n32)cc1 ZINC000020970254 195257577 /nfs/dbraw/zinc/25/75/77/195257577.db2.gz QOARUNKGEXSOQK-RUZDIDTESA-N 1 2 454.530 5.371 40 0 JKABLO CCOc1cc([C@H]2C(C(=O)Nc3ccc(OC)cc3)=C(C)Nc3[nH+]c4ccccc4n32)ccc1O ZINC000020970322 195257580 /nfs/dbraw/zinc/25/75/80/195257580.db2.gz JHOGIWHFPFVGRD-VWLOTQADSA-N 1 2 470.529 5.077 40 0 JKABLO CCc1ccc(NC(=O)C2=C(C)Nc3[nH+]c4ccccc4n3[C@@H]2c2ccc(OC)cc2OC)cc1 ZINC000020970210 195257607 /nfs/dbraw/zinc/25/76/07/195257607.db2.gz DXXFLGRLYKVDBX-AREMUKBSSA-N 1 2 468.557 5.544 40 0 JKABLO CCc1ccc(NC(=O)C2=C(C)Nc3[nH+]c4ccccc4n3[C@H]2c2cccc(OC)c2OC)cc1 ZINC000020970206 195257616 /nfs/dbraw/zinc/25/76/16/195257616.db2.gz QCVVSLYMAIUJFU-VWLOTQADSA-N 1 2 468.557 5.544 40 0 JKABLO CCOc1cc([C@@H]2C(C(=O)Nc3ccc(OC)cc3)=C(C)Nc3[nH+]c4ccccc4n32)ccc1O ZINC000020970318 195257641 /nfs/dbraw/zinc/25/76/41/195257641.db2.gz JHOGIWHFPFVGRD-RUZDIDTESA-N 1 2 470.529 5.077 40 0 JKABLO CC[N@H+](Cc1ccccc1)[C@H](c1nnnn1C1CCCCC1)c1cc2c(C)ccc(C)c2[nH]c1=O ZINC000057584887 195351133 /nfs/dbraw/zinc/35/11/33/195351133.db2.gz ZEIPDZCNGIWYTB-SANMLTNESA-N 1 2 470.621 5.248 40 0 JKABLO CC[N@@H+](Cc1ccccc1)[C@H](c1nnnn1C1CCCCC1)c1cc2c(C)ccc(C)c2[nH]c1=O ZINC000057584887 195351135 /nfs/dbraw/zinc/35/11/35/195351135.db2.gz ZEIPDZCNGIWYTB-SANMLTNESA-N 1 2 470.621 5.248 40 0 JKABLO CCc1ccc2[nH]c(=O)c(C[N@@H+](Cc3ccccc3)[C@H](CC)c3nnnn3Cc3ccccc3)cc2c1 ZINC000057640621 195354231 /nfs/dbraw/zinc/35/42/31/195354231.db2.gz GAYPDNVRHPXIDQ-MUUNZHRXSA-N 1 2 492.627 5.279 40 0 JKABLO CCc1ccc2[nH]c(=O)c(C[N@H+](Cc3ccccc3)[C@H](CC)c3nnnn3Cc3ccccc3)cc2c1 ZINC000057640621 195354234 /nfs/dbraw/zinc/35/42/34/195354234.db2.gz GAYPDNVRHPXIDQ-MUUNZHRXSA-N 1 2 492.627 5.279 40 0 JKABLO CC[C@@H](c1nnnn1Cc1ccccc1)[N@H+](Cc1ccc(C)cc1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000057640804 195354674 /nfs/dbraw/zinc/35/46/74/195354674.db2.gz GWSCFCWWTIDSCR-NDEPHWFRSA-N 1 2 492.627 5.333 40 0 JKABLO CC[C@@H](c1nnnn1Cc1ccccc1)[N@@H+](Cc1ccc(C)cc1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000057640804 195354677 /nfs/dbraw/zinc/35/46/77/195354677.db2.gz GWSCFCWWTIDSCR-NDEPHWFRSA-N 1 2 492.627 5.333 40 0 JKABLO CC[C@@H](c1nnnn1C1CCCCC1)[N@H+](Cc1ccccc1)Cc1cc2ccc(OC)cc2[nH]c1=O ZINC000057641122 195355187 /nfs/dbraw/zinc/35/51/87/195355187.db2.gz ANZOGWRLLCDKGB-SANMLTNESA-N 1 2 486.620 5.182 40 0 JKABLO CC[C@@H](c1nnnn1C1CCCCC1)[N@@H+](Cc1ccccc1)Cc1cc2ccc(OC)cc2[nH]c1=O ZINC000057641122 195355189 /nfs/dbraw/zinc/35/51/89/195355189.db2.gz ANZOGWRLLCDKGB-SANMLTNESA-N 1 2 486.620 5.182 40 0 JKABLO CC[C@@H](c1nnnn1C1CCCC1)[N@H+](Cc1ccc(C)cc1)Cc1cc2ccc(OC)cc2[nH]c1=O ZINC000057641199 195355214 /nfs/dbraw/zinc/35/52/14/195355214.db2.gz HVMXKJKYFJTDJF-SANMLTNESA-N 1 2 486.620 5.100 40 0 JKABLO CC[C@@H](c1nnnn1C1CCCC1)[N@@H+](Cc1ccc(C)cc1)Cc1cc2ccc(OC)cc2[nH]c1=O ZINC000057641199 195355215 /nfs/dbraw/zinc/35/52/15/195355215.db2.gz HVMXKJKYFJTDJF-SANMLTNESA-N 1 2 486.620 5.100 40 0 JKABLO CC[C@@H](c1nnnn1C1CCCCC1)[N@H+](Cc1ccccc1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000057640920 195355246 /nfs/dbraw/zinc/35/52/46/195355246.db2.gz IXNWIMWNTBLIRJ-SANMLTNESA-N 1 2 486.620 5.182 40 0 JKABLO CC[C@@H](c1nnnn1C1CCCCC1)[N@@H+](Cc1ccccc1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000057640920 195355248 /nfs/dbraw/zinc/35/52/48/195355248.db2.gz IXNWIMWNTBLIRJ-SANMLTNESA-N 1 2 486.620 5.182 40 0 JKABLO CC[C@@H](c1nnnn1C1CCCCC1)[N@H+](Cc1cccs1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000057641490 195355348 /nfs/dbraw/zinc/35/53/48/195355348.db2.gz YKQXRXGLKIDTDP-VWLOTQADSA-N 1 2 490.677 5.852 40 0 JKABLO CC[C@@H](c1nnnn1C1CCCCC1)[N@@H+](Cc1cccs1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000057641490 195355349 /nfs/dbraw/zinc/35/53/49/195355349.db2.gz YKQXRXGLKIDTDP-VWLOTQADSA-N 1 2 490.677 5.852 40 0 JKABLO CC[C@@H](c1nnnn1C1CCCC1)[N@H+](Cc1ccc(F)cc1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000057641689 195355933 /nfs/dbraw/zinc/35/59/33/195355933.db2.gz BBFOWOUAWORALJ-SANMLTNESA-N 1 2 488.611 5.539 40 0 JKABLO CC[C@@H](c1nnnn1C1CCCC1)[N@@H+](Cc1ccc(F)cc1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000057641689 195355935 /nfs/dbraw/zinc/35/59/35/195355935.db2.gz BBFOWOUAWORALJ-SANMLTNESA-N 1 2 488.611 5.539 40 0 JKABLO CC[C@@H](c1nnnn1C(C)(C)CC)[N@H+](Cc1ccc(F)cc1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000057641656 195355966 /nfs/dbraw/zinc/35/59/66/195355966.db2.gz GPGGOJMBPFYHDA-VWLOTQADSA-N 1 2 490.627 5.569 40 0 JKABLO CC[C@@H](c1nnnn1C(C)(C)CC)[N@@H+](Cc1ccc(F)cc1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000057641656 195355970 /nfs/dbraw/zinc/35/59/70/195355970.db2.gz GPGGOJMBPFYHDA-VWLOTQADSA-N 1 2 490.627 5.569 40 0 JKABLO CC[C@@H](c1nnnn1C1CCCCC1)[N@H+](Cc1ccc(C)cc1)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000057642375 195356202 /nfs/dbraw/zinc/35/62/02/195356202.db2.gz KLXVIYHBCXKPGW-MHZLTWQESA-N 1 2 498.675 6.099 40 0 JKABLO CC[C@@H](c1nnnn1C1CCCCC1)[N@@H+](Cc1ccc(C)cc1)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000057642375 195356205 /nfs/dbraw/zinc/35/62/05/195356205.db2.gz KLXVIYHBCXKPGW-MHZLTWQESA-N 1 2 498.675 6.099 40 0 JKABLO CC[C@H](c1nnnn1C1CCCC1)[N@H+](Cc1ccccc1)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000057642179 195356338 /nfs/dbraw/zinc/35/63/38/195356338.db2.gz CSUTYHHBKHKUCC-RUZDIDTESA-N 1 2 470.621 5.400 40 0 JKABLO CC[C@H](c1nnnn1C1CCCC1)[N@@H+](Cc1ccccc1)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000057642179 195356340 /nfs/dbraw/zinc/35/63/40/195356340.db2.gz CSUTYHHBKHKUCC-RUZDIDTESA-N 1 2 470.621 5.400 40 0 JKABLO CC[C@@H](c1nnnn1C(C)(C)CC)[N@H+](Cc1ccc(F)cc1)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000057642152 195356385 /nfs/dbraw/zinc/35/63/85/195356385.db2.gz LXFUMNVCCITVKR-DEOSSOPVSA-N 1 2 490.627 5.569 40 0 JKABLO CC[C@@H](c1nnnn1C(C)(C)CC)[N@@H+](Cc1ccc(F)cc1)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000057642152 195356387 /nfs/dbraw/zinc/35/63/87/195356387.db2.gz LXFUMNVCCITVKR-DEOSSOPVSA-N 1 2 490.627 5.569 40 0 JKABLO CC[C@H](c1nnnn1C(C)(C)CC)[N@H+](Cc1ccc(F)cc1)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000057642156 195356400 /nfs/dbraw/zinc/35/64/00/195356400.db2.gz LXFUMNVCCITVKR-XMMPIXPASA-N 1 2 490.627 5.569 40 0 JKABLO CC[C@H](c1nnnn1C(C)(C)CC)[N@@H+](Cc1ccc(F)cc1)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000057642156 195356402 /nfs/dbraw/zinc/35/64/02/195356402.db2.gz LXFUMNVCCITVKR-XMMPIXPASA-N 1 2 490.627 5.569 40 0 JKABLO Cc1cc(NC(=O)c2cc3ccc(-c4ccc(C(F)(F)F)cc4)cn3c2-c2cocn2)cc[nH+]1 ZINC000096155513 129979391 /nfs/dbraw/zinc/97/93/91/129979391.db2.gz USLUDXDYZZUZFG-UHFFFAOYSA-N 1 2 462.431 6.236 40 0 JKABLO O[C@H](C[NH+]1CCN([C@H]2c3ccccc3CSc3ccccc32)CC1)c1ccc(Cl)cc1 ZINC000096251414 130002948 /nfs/dbraw/zinc/00/29/48/130002948.db2.gz OUUZYWUMQUOBSM-RSXGOPAZSA-N 1 2 451.035 5.386 40 0 JKABLO O[C@H](C[NH+]1CCN([C@@H]2c3ccccc3CSc3ccccc32)CC1)c1ccc(Cl)cc1 ZINC000096251413 130002959 /nfs/dbraw/zinc/00/29/59/130002959.db2.gz OUUZYWUMQUOBSM-AOYPEHQESA-N 1 2 451.035 5.386 40 0 JKABLO O=C(CSc1nnc(CCc2[nH]c3ccccc3[nH+]2)n1-c1ccccc1)Nc1cccc(Cl)c1 ZINC000000924624 553859672 /nfs/dbraw/zinc/85/96/72/553859672.db2.gz SBYCMSPNRVTCSE-UHFFFAOYSA-N 1 2 489.004 5.313 40 0 JKABLO Cc1ccc(NC(=O)CSc2nnc(CCc3[nH]c4ccccc4[nH+]3)n2-c2ccccc2)c(C)c1 ZINC000000924629 553859924 /nfs/dbraw/zinc/85/99/24/553859924.db2.gz IKLVKKCBRWGXSV-UHFFFAOYSA-N 1 2 482.613 5.276 40 0 JKABLO COc1ccccc1[C@@H]1C(C(=O)Nc2cc(C)cc(Cl)c2C)=C(C)Nc2[nH+]c3ccccc3n21 ZINC000001080710 553905620 /nfs/dbraw/zinc/90/56/20/553905620.db2.gz MZFXMAKZNUQIPB-RUZDIDTESA-N 1 2 472.976 6.243 40 0 JKABLO COc1ccc(C(=O)Nc2sc(C)c(C)c2[C@@H](c2ccc(SC)cc2)[NH+]2CCOCC2)cc1 ZINC000001236161 553936896 /nfs/dbraw/zinc/93/68/96/553936896.db2.gz NFQXBCXHSTZPGF-XMMPIXPASA-N 1 2 482.671 5.769 40 0 JKABLO CC(=O)Nc1sc2c(c1[C@H](c1ccccn1)[NH+]1CCN(c3ccccc3F)CC1)CCCC2 ZINC000001281003 553939759 /nfs/dbraw/zinc/93/97/59/553939759.db2.gz KXCWDLMKIFINBA-VWLOTQADSA-N 1 2 464.610 5.031 40 0 JKABLO COc1ccc(Cn2nnnc2[C@@H](c2ccc(C)cc2)[N@H+]2CC=C(c3ccc(F)cc3)CC2)cc1 ZINC000001328193 553943704 /nfs/dbraw/zinc/94/37/04/553943704.db2.gz IFQOEMCGVFDSAN-HHHXNRCGSA-N 1 2 469.564 5.056 40 0 JKABLO COc1ccc(Cn2nnnc2[C@@H](c2ccc(C)cc2)[N@@H+]2CC=C(c3ccc(F)cc3)CC2)cc1 ZINC000001328193 553943707 /nfs/dbraw/zinc/94/37/07/553943707.db2.gz IFQOEMCGVFDSAN-HHHXNRCGSA-N 1 2 469.564 5.056 40 0 JKABLO O=C(C[NH+]1CCC(c2nc3ccccc3s2)CC1)Nc1cc(C(F)(F)F)ccc1Cl ZINC000001359095 553958030 /nfs/dbraw/zinc/95/80/30/553958030.db2.gz MMVAGHPQJXBXQJ-UHFFFAOYSA-N 1 2 453.917 5.787 40 0 JKABLO CCc1ccc2[nH]c(=O)c(C[N@@H+](Cc3cccs3)[C@@H](CC)c3nnnn3C3CCCCC3)cc2c1 ZINC000001374033 553962414 /nfs/dbraw/zinc/96/24/14/553962414.db2.gz OVYJXENYSHIJOU-VWLOTQADSA-N 1 2 490.677 5.797 40 0 JKABLO CCc1ccc2[nH]c(=O)c(C[N@H+](Cc3cccs3)[C@@H](CC)c3nnnn3C3CCCCC3)cc2c1 ZINC000001374033 553962417 /nfs/dbraw/zinc/96/24/17/553962417.db2.gz OVYJXENYSHIJOU-VWLOTQADSA-N 1 2 490.677 5.797 40 0 JKABLO CC[C@H](c1nnnn1Cc1ccccc1)[N@H+](Cc1ccc(F)cc1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000001374174 553962642 /nfs/dbraw/zinc/96/26/42/553962642.db2.gz LIYKUGCHTUQBMM-HHHXNRCGSA-N 1 2 496.590 5.164 40 0 JKABLO CC[C@H](c1nnnn1Cc1ccccc1)[N@@H+](Cc1ccc(F)cc1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000001374174 553962649 /nfs/dbraw/zinc/96/26/49/553962649.db2.gz LIYKUGCHTUQBMM-HHHXNRCGSA-N 1 2 496.590 5.164 40 0 JKABLO CC[C@@H](c1nnnn1C(C)(C)C)[N@H+](Cc1ccc(C)cc1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000001374254 553962687 /nfs/dbraw/zinc/96/26/87/553962687.db2.gz SNMAFAQGVCYCEK-DEOSSOPVSA-N 1 2 458.610 5.040 40 0 JKABLO CC[C@@H](c1nnnn1C(C)(C)C)[N@@H+](Cc1ccc(C)cc1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000001374254 553962688 /nfs/dbraw/zinc/96/26/88/553962688.db2.gz SNMAFAQGVCYCEK-DEOSSOPVSA-N 1 2 458.610 5.040 40 0 JKABLO CCc1ccc2[nH]c(=O)c(C[N@@H+](Cc3cccs3)[C@H](CC)c3nnnn3C3CCCCC3)cc2c1 ZINC000001374035 553962754 /nfs/dbraw/zinc/96/27/54/553962754.db2.gz OVYJXENYSHIJOU-RUZDIDTESA-N 1 2 490.677 5.797 40 0 JKABLO CCc1ccc2[nH]c(=O)c(C[N@H+](Cc3cccs3)[C@H](CC)c3nnnn3C3CCCCC3)cc2c1 ZINC000001374035 553962757 /nfs/dbraw/zinc/96/27/57/553962757.db2.gz OVYJXENYSHIJOU-RUZDIDTESA-N 1 2 490.677 5.797 40 0 JKABLO CC[C@H](c1nnnn1C(C)(C)C)[N@H+](Cc1ccc(F)cc1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000001375203 553963083 /nfs/dbraw/zinc/96/30/83/553963083.db2.gz KYUMRSLLASQUIV-XMMPIXPASA-N 1 2 476.600 5.179 40 0 JKABLO CC[C@H](c1nnnn1C(C)(C)C)[N@@H+](Cc1ccc(F)cc1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000001375203 553963084 /nfs/dbraw/zinc/96/30/84/553963084.db2.gz KYUMRSLLASQUIV-XMMPIXPASA-N 1 2 476.600 5.179 40 0 JKABLO CC[C@@H](c1nnnn1Cc1ccccc1)[N@H+](Cc1cccs1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000001375079 553963103 /nfs/dbraw/zinc/96/31/03/553963103.db2.gz CNWJYTBXFGCAEA-SANMLTNESA-N 1 2 498.656 5.395 40 0 JKABLO CC[C@@H](c1nnnn1Cc1ccccc1)[N@@H+](Cc1cccs1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000001375079 553963105 /nfs/dbraw/zinc/96/31/05/553963105.db2.gz CNWJYTBXFGCAEA-SANMLTNESA-N 1 2 498.656 5.395 40 0 JKABLO CC[C@H](c1nnnn1CCc1ccccc1)[N@H+](Cc1cccs1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000001374344 553963137 /nfs/dbraw/zinc/96/31/37/553963137.db2.gz XUOONOWRNVOENG-AREMUKBSSA-N 1 2 498.656 5.281 40 0 JKABLO CC[C@H](c1nnnn1CCc1ccccc1)[N@@H+](Cc1cccs1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000001374344 553963139 /nfs/dbraw/zinc/96/31/39/553963139.db2.gz XUOONOWRNVOENG-AREMUKBSSA-N 1 2 498.656 5.281 40 0 JKABLO CC[C@H](c1nnnn1C(C)(C)CC)[N@H+](Cc1ccc(C)cc1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000001374482 553963154 /nfs/dbraw/zinc/96/31/54/553963154.db2.gz IVVIDKZFZTYQBV-RUZDIDTESA-N 1 2 488.636 5.130 40 0 JKABLO CC[C@H](c1nnnn1C(C)(C)CC)[N@@H+](Cc1ccc(C)cc1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000001374482 553963157 /nfs/dbraw/zinc/96/31/57/553963157.db2.gz IVVIDKZFZTYQBV-RUZDIDTESA-N 1 2 488.636 5.130 40 0 JKABLO CC[C@H](c1nnnn1C(C)(C)C)[N@H+](Cc1ccc(OC)cc1)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000001375550 553963479 /nfs/dbraw/zinc/96/34/79/553963479.db2.gz QQMLRZVWSFRDFN-XMMPIXPASA-N 1 2 488.636 5.049 40 0 JKABLO CC[C@H](c1nnnn1C(C)(C)C)[N@@H+](Cc1ccc(OC)cc1)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000001375550 553963483 /nfs/dbraw/zinc/96/34/83/553963483.db2.gz QQMLRZVWSFRDFN-XMMPIXPASA-N 1 2 488.636 5.049 40 0 JKABLO CC[C@@H](c1nnnn1C(C)(C)C)[N@H+](Cc1ccc(OC)cc1)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000001375549 553963522 /nfs/dbraw/zinc/96/35/22/553963522.db2.gz QQMLRZVWSFRDFN-DEOSSOPVSA-N 1 2 488.636 5.049 40 0 JKABLO CC[C@@H](c1nnnn1C(C)(C)C)[N@@H+](Cc1ccc(OC)cc1)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000001375549 553963527 /nfs/dbraw/zinc/96/35/27/553963527.db2.gz QQMLRZVWSFRDFN-DEOSSOPVSA-N 1 2 488.636 5.049 40 0 JKABLO CC[C@H](c1nnnn1Cc1ccccc1)[N@H+](Cc1cccs1)Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000001375437 553963660 /nfs/dbraw/zinc/96/36/60/553963660.db2.gz DVYREOGBKKVIEM-RUZDIDTESA-N 1 2 498.656 5.395 40 0 JKABLO CC[C@H](c1nnnn1Cc1ccccc1)[N@@H+](Cc1cccs1)Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000001375437 553963663 /nfs/dbraw/zinc/96/36/63/553963663.db2.gz DVYREOGBKKVIEM-RUZDIDTESA-N 1 2 498.656 5.395 40 0 JKABLO CC(C)Cn1c2ccccc2[nH+]c1N1CCN(C(=O)c2sc3ccccc3c2Cl)CC1 ZINC000001379872 553965285 /nfs/dbraw/zinc/96/52/85/553965285.db2.gz JZCOMKJKWCMWAK-UHFFFAOYSA-N 1 2 453.011 5.523 40 0 JKABLO CSc1ccc([C@@H](Nc2cccc[nH+]2)c2c(C)c(C)sc2NC(=O)c2ccccc2)cc1 ZINC000002546412 554235075 /nfs/dbraw/zinc/23/50/75/554235075.db2.gz CGQSURSXDUYYDQ-XMMPIXPASA-N 1 2 459.640 6.936 40 0 JKABLO COc1cc2c(cc1OCc1ccccc1)C(Cc1ccc(OCc3ccccc3)cc1)=[NH+]CC2 ZINC000003847366 554471192 /nfs/dbraw/zinc/47/11/92/554471192.db2.gz BLCBBJCISFDVMD-UHFFFAOYSA-N 1 2 463.577 6.441 40 0 JKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=O)c4c(OC)cccc4OC)cc3n2)c(C)c1 ZINC000008832215 554725667 /nfs/dbraw/zinc/72/56/67/554725667.db2.gz QAEWERZZINDGDR-UHFFFAOYSA-N 1 2 473.577 5.153 40 0 JKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=O)COc4cccc(C)c4)cc3n2)c(C)c1 ZINC000008832218 554725689 /nfs/dbraw/zinc/72/56/89/554725689.db2.gz QRNUKVQEUOKCLG-UHFFFAOYSA-N 1 2 457.578 5.209 40 0 JKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(C(C)C)cc4)cc3n2)c(C)c1 ZINC000008832208 554725718 /nfs/dbraw/zinc/72/57/18/554725718.db2.gz HWPIMZRSGPRXHV-UHFFFAOYSA-N 1 2 455.606 6.259 40 0 JKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=O)COc4ccc(C)cc4)cc3n2)c(C)c1 ZINC000008832211 554725734 /nfs/dbraw/zinc/72/57/34/554725734.db2.gz HSRFLWMSZWTXTB-UHFFFAOYSA-N 1 2 457.578 5.209 40 0 JKABLO CCCCOc1ccc(C(=O)Nc2cc3nn(-c4ccc([NH+](CC)CC)cc4C)nc3cc2C)cc1 ZINC000008900477 554792900 /nfs/dbraw/zinc/79/29/00/554792900.db2.gz AVNZEPPKGBAAAP-UHFFFAOYSA-N 1 2 485.632 6.315 40 0 JKABLO CC[C@H](C)c1ccc(OCC(=O)Nc2cc3nn(-c4ccc([NH+](CC)CC)cc4C)nc3cc2C)cc1 ZINC000008900465 554792929 /nfs/dbraw/zinc/79/29/29/554792929.db2.gz MAMCZKHYTVFCFP-FQEVSTJZSA-N 1 2 499.659 6.415 40 0 JKABLO CC[C@@H](c1nnnn1C1CCCC1)[N@H+](Cc1ccccc1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013494686 555405854 /nfs/dbraw/zinc/40/58/54/555405854.db2.gz LNTDDYCIKMHXAM-VWLOTQADSA-N 1 2 470.621 5.400 40 0 JKABLO CC[C@@H](c1nnnn1C1CCCC1)[N@@H+](Cc1ccccc1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013494686 555405856 /nfs/dbraw/zinc/40/58/56/555405856.db2.gz LNTDDYCIKMHXAM-VWLOTQADSA-N 1 2 470.621 5.400 40 0 JKABLO CC[C@H](c1nnnn1Cc1ccccc1)[N@H+](Cc1ccccc1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013494692 555405890 /nfs/dbraw/zinc/40/58/90/555405890.db2.gz UZPDXTALPRQXQA-HHHXNRCGSA-N 1 2 492.627 5.333 40 0 JKABLO CC[C@H](c1nnnn1Cc1ccccc1)[N@@H+](Cc1ccccc1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013494692 555405893 /nfs/dbraw/zinc/40/58/93/555405893.db2.gz UZPDXTALPRQXQA-HHHXNRCGSA-N 1 2 492.627 5.333 40 0 JKABLO CC[C@H](c1nnnn1C1CCCC1)[N@H+](Cc1ccccc1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013494684 555405954 /nfs/dbraw/zinc/40/59/54/555405954.db2.gz LNTDDYCIKMHXAM-RUZDIDTESA-N 1 2 470.621 5.400 40 0 JKABLO CC[C@H](c1nnnn1C1CCCC1)[N@@H+](Cc1ccccc1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013494684 555405958 /nfs/dbraw/zinc/40/59/58/555405958.db2.gz LNTDDYCIKMHXAM-RUZDIDTESA-N 1 2 470.621 5.400 40 0 JKABLO CC[C@@H](c1nnnn1C1CCCC1)[N@H+](Cc1ccccc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013494666 555406005 /nfs/dbraw/zinc/40/60/05/555406005.db2.gz VGBZFICPBNCZBA-DEOSSOPVSA-N 1 2 456.594 5.092 40 0 JKABLO CC[C@@H](c1nnnn1C1CCCC1)[N@@H+](Cc1ccccc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013494666 555406009 /nfs/dbraw/zinc/40/60/09/555406009.db2.gz VGBZFICPBNCZBA-DEOSSOPVSA-N 1 2 456.594 5.092 40 0 JKABLO CC[C@H](c1nnnn1C1CCCCC1)[N@H+](Cc1ccccc1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013494688 555406065 /nfs/dbraw/zinc/40/60/65/555406065.db2.gz JIMNPCKYRGEVRL-AREMUKBSSA-N 1 2 484.648 5.790 40 0 JKABLO CC[C@H](c1nnnn1C1CCCCC1)[N@@H+](Cc1ccccc1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013494688 555406068 /nfs/dbraw/zinc/40/60/68/555406068.db2.gz JIMNPCKYRGEVRL-AREMUKBSSA-N 1 2 484.648 5.790 40 0 JKABLO CC[C@H](c1nnnn1C(C)(C)CC)[N@H+](Cc1ccccc1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013494680 555406097 /nfs/dbraw/zinc/40/60/97/555406097.db2.gz OPNUTJNDARELRC-XMMPIXPASA-N 1 2 472.637 5.430 40 0 JKABLO CC[C@H](c1nnnn1C(C)(C)CC)[N@@H+](Cc1ccccc1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013494680 555406098 /nfs/dbraw/zinc/40/60/98/555406098.db2.gz OPNUTJNDARELRC-XMMPIXPASA-N 1 2 472.637 5.430 40 0 JKABLO CC[C@H](c1nnnn1C1CCCCC1)[N@H+](Cc1ccc(F)cc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013494988 555406811 /nfs/dbraw/zinc/40/68/11/555406811.db2.gz RFXOKQYPLZQEBU-AREMUKBSSA-N 1 2 488.611 5.621 40 0 JKABLO CC[C@H](c1nnnn1C1CCCCC1)[N@@H+](Cc1ccc(F)cc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013494988 555406813 /nfs/dbraw/zinc/40/68/13/555406813.db2.gz RFXOKQYPLZQEBU-AREMUKBSSA-N 1 2 488.611 5.621 40 0 JKABLO CC[C@@H](c1nnnn1C(C)(C)CC)[N@H+](Cc1ccc(OC)cc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013495132 555407294 /nfs/dbraw/zinc/40/72/94/555407294.db2.gz DOMLSMSMSPSXIV-VWLOTQADSA-N 1 2 488.636 5.130 40 0 JKABLO CC[C@@H](c1nnnn1C(C)(C)CC)[N@@H+](Cc1ccc(OC)cc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013495132 555407299 /nfs/dbraw/zinc/40/72/99/555407299.db2.gz DOMLSMSMSPSXIV-VWLOTQADSA-N 1 2 488.636 5.130 40 0 JKABLO CC[C@@H](c1nnnn1C1CCCC1)[N@H+](Cc1cccs1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013495773 555409184 /nfs/dbraw/zinc/40/91/84/555409184.db2.gz FLHIEQCHFITCEH-QHCPKHFHSA-N 1 2 476.650 5.462 40 0 JKABLO CC[C@@H](c1nnnn1C1CCCC1)[N@@H+](Cc1cccs1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013495773 555409185 /nfs/dbraw/zinc/40/91/85/555409185.db2.gz FLHIEQCHFITCEH-QHCPKHFHSA-N 1 2 476.650 5.462 40 0 JKABLO CC[C@H](c1nnnn1CCc1ccccc1)[N@H+](Cc1cccs1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013495768 555409224 /nfs/dbraw/zinc/40/92/24/555409224.db2.gz LUWCQAPWJMUZCM-AREMUKBSSA-N 1 2 498.656 5.281 40 0 JKABLO CC[C@H](c1nnnn1CCc1ccccc1)[N@@H+](Cc1cccs1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013495768 555409225 /nfs/dbraw/zinc/40/92/25/555409225.db2.gz LUWCQAPWJMUZCM-AREMUKBSSA-N 1 2 498.656 5.281 40 0 JKABLO CC[C@@H](c1nnnn1C(C)(C)CC)[N@H+](Cc1cccs1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013495771 555409236 /nfs/dbraw/zinc/40/92/36/555409236.db2.gz RHYMEEWKWHUJCN-QFIPXVFZSA-N 1 2 478.666 5.492 40 0 JKABLO CC[C@@H](c1nnnn1C(C)(C)CC)[N@@H+](Cc1cccs1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013495771 555409237 /nfs/dbraw/zinc/40/92/37/555409237.db2.gz RHYMEEWKWHUJCN-QFIPXVFZSA-N 1 2 478.666 5.492 40 0 JKABLO CCc1ccc2[nH]c(=O)c(C[N@H+](Cc3ccccc3)[C@@H](c3nnnn3C3CCCC3)C(C)C)cc2c1 ZINC000013498431 555420308 /nfs/dbraw/zinc/42/03/08/555420308.db2.gz KVHOWAADUPSFIB-HHHXNRCGSA-N 1 2 484.648 5.592 40 0 JKABLO CCc1ccc2[nH]c(=O)c(C[N@@H+](Cc3ccccc3)[C@@H](c3nnnn3C3CCCC3)C(C)C)cc2c1 ZINC000013498431 555420310 /nfs/dbraw/zinc/42/03/10/555420310.db2.gz KVHOWAADUPSFIB-HHHXNRCGSA-N 1 2 484.648 5.592 40 0 JKABLO CCc1ccc2[nH]c(=O)c(C[N@H+](Cc3ccc(F)cc3)[C@@H](c3nnnn3C(C)(C)C)C(C)C)cc2c1 ZINC000013498424 555420432 /nfs/dbraw/zinc/42/04/32/555420432.db2.gz XSBKORGXMRJRGS-RUZDIDTESA-N 1 2 490.627 5.371 40 0 JKABLO CCc1ccc2[nH]c(=O)c(C[N@@H+](Cc3ccc(F)cc3)[C@@H](c3nnnn3C(C)(C)C)C(C)C)cc2c1 ZINC000013498424 555420436 /nfs/dbraw/zinc/42/04/36/555420436.db2.gz XSBKORGXMRJRGS-RUZDIDTESA-N 1 2 490.627 5.371 40 0 JKABLO CCc1ccc2[nH]c(=O)c(C[N@H+](Cc3ccc(C)cc3)[C@H](c3nnnn3C(C)(C)C)C(C)C)cc2c1 ZINC000013498458 555420706 /nfs/dbraw/zinc/42/07/06/555420706.db2.gz KEZQCYPYBNSPQO-SANMLTNESA-N 1 2 486.664 5.540 40 0 JKABLO CCc1ccc2[nH]c(=O)c(C[N@@H+](Cc3ccc(C)cc3)[C@H](c3nnnn3C(C)(C)C)C(C)C)cc2c1 ZINC000013498458 555420710 /nfs/dbraw/zinc/42/07/10/555420710.db2.gz KEZQCYPYBNSPQO-SANMLTNESA-N 1 2 486.664 5.540 40 0 JKABLO CCc1ccc2[nH]c(=O)c(C[N@H+](Cc3ccccc3)[C@H](c3nnnn3C3CCCCC3)C(C)C)cc2c1 ZINC000013498442 555420755 /nfs/dbraw/zinc/42/07/55/555420755.db2.gz JEBAJEOORQMBGZ-NDEPHWFRSA-N 1 2 498.675 5.982 40 0 JKABLO CCc1ccc2[nH]c(=O)c(C[N@@H+](Cc3ccccc3)[C@H](c3nnnn3C3CCCCC3)C(C)C)cc2c1 ZINC000013498442 555420757 /nfs/dbraw/zinc/42/07/57/555420757.db2.gz JEBAJEOORQMBGZ-NDEPHWFRSA-N 1 2 498.675 5.982 40 0 JKABLO CCC(C)(C)n1nnnc1[C@H](C(C)C)[N@H+](Cc1ccc(F)cc1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000013498499 555421014 /nfs/dbraw/zinc/42/10/14/555421014.db2.gz AZOCJJDMZSZYJA-VWLOTQADSA-N 1 2 490.627 5.507 40 0 JKABLO CCC(C)(C)n1nnnc1[C@H](C(C)C)[N@@H+](Cc1ccc(F)cc1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000013498499 555421017 /nfs/dbraw/zinc/42/10/17/555421017.db2.gz AZOCJJDMZSZYJA-VWLOTQADSA-N 1 2 490.627 5.507 40 0 JKABLO Cc1ccc2cc(C[N@@H+](Cc3ccc(F)cc3)[C@H](c3nnnn3C(C)(C)C)C(C)C)c(=O)[nH]c2c1 ZINC000013498485 555421122 /nfs/dbraw/zinc/42/11/22/555421122.db2.gz RWUQBXPHHLSZQU-DEOSSOPVSA-N 1 2 476.600 5.117 40 0 JKABLO Cc1ccc2cc(C[N@H+](Cc3ccc(F)cc3)[C@H](c3nnnn3C(C)(C)C)C(C)C)c(=O)[nH]c2c1 ZINC000013498485 555421126 /nfs/dbraw/zinc/42/11/26/555421126.db2.gz RWUQBXPHHLSZQU-DEOSSOPVSA-N 1 2 476.600 5.117 40 0 JKABLO CCC(C)(C)n1nnnc1[C@H](C(C)C)[N@H+](Cc1cccs1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000013498501 555421150 /nfs/dbraw/zinc/42/11/50/555421150.db2.gz WUQNCRZBGXYRPN-QHCPKHFHSA-N 1 2 478.666 5.429 40 0 JKABLO CCC(C)(C)n1nnnc1[C@H](C(C)C)[N@@H+](Cc1cccs1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000013498501 555421152 /nfs/dbraw/zinc/42/11/52/555421152.db2.gz WUQNCRZBGXYRPN-QHCPKHFHSA-N 1 2 478.666 5.429 40 0 JKABLO CCC(C)(C)n1nnnc1[C@@H](C(C)C)[N@H+](Cc1ccccc1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000013498496 555421238 /nfs/dbraw/zinc/42/12/38/555421238.db2.gz WXAKYLNYSPPWBI-RUZDIDTESA-N 1 2 472.637 5.368 40 0 JKABLO CCC(C)(C)n1nnnc1[C@@H](C(C)C)[N@@H+](Cc1ccccc1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000013498496 555421240 /nfs/dbraw/zinc/42/12/40/555421240.db2.gz WXAKYLNYSPPWBI-RUZDIDTESA-N 1 2 472.637 5.368 40 0 JKABLO Cc1ccc2cc(C[N@@H+](Cc3cccs3)[C@@H](c3nnnn3C3CCCCC3)C(C)C)c(=O)[nH]c2c1 ZINC000013498522 555421453 /nfs/dbraw/zinc/42/14/53/555421453.db2.gz FMXBZGVFBFSLLO-RUZDIDTESA-N 1 2 490.677 5.789 40 0 JKABLO Cc1ccc2cc(C[N@H+](Cc3cccs3)[C@@H](c3nnnn3C3CCCCC3)C(C)C)c(=O)[nH]c2c1 ZINC000013498522 555421458 /nfs/dbraw/zinc/42/14/58/555421458.db2.gz FMXBZGVFBFSLLO-RUZDIDTESA-N 1 2 490.677 5.789 40 0 JKABLO Cc1ccc2cc(C[N@@H+](Cc3ccccc3)[C@H](c3nnnn3C3CCCCC3)C(C)C)c(=O)[nH]c2c1 ZINC000013498519 555421528 /nfs/dbraw/zinc/42/15/28/555421528.db2.gz SQVDXUBQENKQES-MHZLTWQESA-N 1 2 484.648 5.728 40 0 JKABLO Cc1ccc2cc(C[N@H+](Cc3ccccc3)[C@H](c3nnnn3C3CCCCC3)C(C)C)c(=O)[nH]c2c1 ZINC000013498519 555421531 /nfs/dbraw/zinc/42/15/31/555421531.db2.gz SQVDXUBQENKQES-MHZLTWQESA-N 1 2 484.648 5.728 40 0 JKABLO Cc1ccc2cc(C[N@@H+](Cc3ccco3)[C@H](c3nnnn3CCc3ccccc3)C(C)C)c(=O)[nH]c2c1 ZINC000013498584 555422504 /nfs/dbraw/zinc/42/25/04/555422504.db2.gz QNDKTOBWODQTBJ-MHZLTWQESA-N 1 2 496.615 5.058 40 0 JKABLO Cc1ccc2cc(C[N@H+](Cc3ccco3)[C@H](c3nnnn3CCc3ccccc3)C(C)C)c(=O)[nH]c2c1 ZINC000013498584 555422507 /nfs/dbraw/zinc/42/25/07/555422507.db2.gz QNDKTOBWODQTBJ-MHZLTWQESA-N 1 2 496.615 5.058 40 0 JKABLO CCC(C)(C)n1nnnc1[C@H](C(C)C)[N@H+](Cc1ccccc1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000013498614 555422981 /nfs/dbraw/zinc/42/29/81/555422981.db2.gz GQJWONIIMODRMN-VWLOTQADSA-N 1 2 488.636 5.068 40 0 JKABLO CCC(C)(C)n1nnnc1[C@H](C(C)C)[N@@H+](Cc1ccccc1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000013498614 555422982 /nfs/dbraw/zinc/42/29/82/555422982.db2.gz GQJWONIIMODRMN-VWLOTQADSA-N 1 2 488.636 5.068 40 0 JKABLO CCC(C)(C)n1nnnc1[C@@H](C(C)C)[N@H+](Cc1cccs1)Cc1cc2ccc(OC)cc2[nH]c1=O ZINC000013498718 555423781 /nfs/dbraw/zinc/42/37/81/555423781.db2.gz FXRGUBOPBFQDNH-HSZRJFAPSA-N 1 2 494.665 5.129 40 0 JKABLO CCC(C)(C)n1nnnc1[C@@H](C(C)C)[N@@H+](Cc1cccs1)Cc1cc2ccc(OC)cc2[nH]c1=O ZINC000013498718 555423784 /nfs/dbraw/zinc/42/37/84/555423784.db2.gz FXRGUBOPBFQDNH-HSZRJFAPSA-N 1 2 494.665 5.129 40 0 JKABLO Cc1cc2cc(C[N@@H+](Cc3cccs3)[C@H](c3nnnn3C(C)(C)C)C(C)C)c(=O)[nH]c2cc1C ZINC000013498847 555425003 /nfs/dbraw/zinc/42/50/03/555425003.db2.gz JCXNJLQHOYQXIR-QHCPKHFHSA-N 1 2 478.666 5.347 40 0 JKABLO Cc1cc2cc(C[N@H+](Cc3cccs3)[C@H](c3nnnn3C(C)(C)C)C(C)C)c(=O)[nH]c2cc1C ZINC000013498847 555425009 /nfs/dbraw/zinc/42/50/09/555425009.db2.gz JCXNJLQHOYQXIR-QHCPKHFHSA-N 1 2 478.666 5.347 40 0 JKABLO Cc1cc2cc(C[N@@H+](Cc3ccco3)[C@H](c3nnnn3Cc3ccccc3)C(C)C)c(=O)[nH]c2cc1C ZINC000013498909 555425937 /nfs/dbraw/zinc/42/59/37/555425937.db2.gz ZQSXYJMUWCRTTO-MHZLTWQESA-N 1 2 496.615 5.172 40 0 JKABLO Cc1cc2cc(C[N@H+](Cc3ccco3)[C@H](c3nnnn3Cc3ccccc3)C(C)C)c(=O)[nH]c2cc1C ZINC000013498909 555425940 /nfs/dbraw/zinc/42/59/40/555425940.db2.gz ZQSXYJMUWCRTTO-MHZLTWQESA-N 1 2 496.615 5.172 40 0 JKABLO Cc1cc2cc(C[N@@H+](Cc3ccco3)[C@@H](c3nnnn3Cc3ccccc3)C(C)C)c(=O)[nH]c2cc1C ZINC000013498908 555425990 /nfs/dbraw/zinc/42/59/90/555425990.db2.gz ZQSXYJMUWCRTTO-HHHXNRCGSA-N 1 2 496.615 5.172 40 0 JKABLO Cc1cc2cc(C[N@H+](Cc3ccco3)[C@@H](c3nnnn3Cc3ccccc3)C(C)C)c(=O)[nH]c2cc1C ZINC000013498908 555425991 /nfs/dbraw/zinc/42/59/91/555425991.db2.gz ZQSXYJMUWCRTTO-HHHXNRCGSA-N 1 2 496.615 5.172 40 0 JKABLO Cc1ccc(C[N@H+](Cc2cc3cc(C)c(C)cc3[nH]c2=O)[C@H](c2nnnn2C2CCCC2)C(C)C)cc1 ZINC000013498929 555426304 /nfs/dbraw/zinc/42/63/04/555426304.db2.gz YBESMJQXDPSJHE-NDEPHWFRSA-N 1 2 498.675 5.954 40 0 JKABLO Cc1ccc(C[N@@H+](Cc2cc3cc(C)c(C)cc3[nH]c2=O)[C@H](c2nnnn2C2CCCC2)C(C)C)cc1 ZINC000013498929 555426306 /nfs/dbraw/zinc/42/63/06/555426306.db2.gz YBESMJQXDPSJHE-NDEPHWFRSA-N 1 2 498.675 5.954 40 0 JKABLO Cc1ccc(C[N@H+](Cc2cc3cc(C)c(C)cc3[nH]c2=O)[C@@H](c2nnnn2C2CCCC2)C(C)C)cc1 ZINC000013498928 555426466 /nfs/dbraw/zinc/42/64/66/555426466.db2.gz YBESMJQXDPSJHE-MUUNZHRXSA-N 1 2 498.675 5.954 40 0 JKABLO Cc1ccc(C[N@@H+](Cc2cc3cc(C)c(C)cc3[nH]c2=O)[C@@H](c2nnnn2C2CCCC2)C(C)C)cc1 ZINC000013498928 555426468 /nfs/dbraw/zinc/42/64/68/555426468.db2.gz YBESMJQXDPSJHE-MUUNZHRXSA-N 1 2 498.675 5.954 40 0 JKABLO CCC(C)(C)n1nnnc1[C@H](C(C)C)[N@H+](Cc1ccccc1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000013499007 555427227 /nfs/dbraw/zinc/42/72/27/555427227.db2.gz WBCQXMVFPHUXHN-SANMLTNESA-N 1 2 486.664 5.676 40 0 JKABLO CCC(C)(C)n1nnnc1[C@H](C(C)C)[N@@H+](Cc1ccccc1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000013499007 555427230 /nfs/dbraw/zinc/42/72/30/555427230.db2.gz WBCQXMVFPHUXHN-SANMLTNESA-N 1 2 486.664 5.676 40 0 JKABLO CCC(C)(C)n1nnnc1[C@H](C(C)C)[N@H+](Cc1cccs1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000013499015 555427300 /nfs/dbraw/zinc/42/73/00/555427300.db2.gz PQCRETJBEXPCNN-DEOSSOPVSA-N 1 2 492.693 5.738 40 0 JKABLO CCC(C)(C)n1nnnc1[C@H](C(C)C)[N@@H+](Cc1cccs1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000013499015 555427303 /nfs/dbraw/zinc/42/73/03/555427303.db2.gz PQCRETJBEXPCNN-DEOSSOPVSA-N 1 2 492.693 5.738 40 0 JKABLO Cc1ccc(C[N@H+](Cc2cc3c(C)cc(C)cc3[nH]c2=O)[C@H](c2nnnn2C(C)(C)C)C(C)C)cc1 ZINC000013499067 555427740 /nfs/dbraw/zinc/42/77/40/555427740.db2.gz IISFOIVAAPWBOI-SANMLTNESA-N 1 2 486.664 5.594 40 0 JKABLO Cc1ccc(C[N@@H+](Cc2cc3c(C)cc(C)cc3[nH]c2=O)[C@H](c2nnnn2C(C)(C)C)C(C)C)cc1 ZINC000013499067 555427741 /nfs/dbraw/zinc/42/77/41/555427741.db2.gz IISFOIVAAPWBOI-SANMLTNESA-N 1 2 486.664 5.594 40 0 JKABLO Cc1ccc2cc(C[N@@H+](C[C@@H]3CCCO3)[C@@H](c3nnnn3C3CCCCC3)C(C)C)c(=O)[nH]c2c1C ZINC000013499134 555428408 /nfs/dbraw/zinc/42/84/08/555428408.db2.gz WZUSHYPBRRGLCJ-AZGAKELHSA-N 1 2 492.668 5.015 40 0 JKABLO Cc1ccc2cc(C[N@H+](C[C@@H]3CCCO3)[C@@H](c3nnnn3C3CCCCC3)C(C)C)c(=O)[nH]c2c1C ZINC000013499134 555428410 /nfs/dbraw/zinc/42/84/10/555428410.db2.gz WZUSHYPBRRGLCJ-AZGAKELHSA-N 1 2 492.668 5.015 40 0 JKABLO Cc1ccc2cc(C[N@@H+](Cc3cccnc3)[C@H](c3nnnn3C3CCCCC3)C(C)C)c(=O)[nH]c2c1C ZINC000013499133 555428445 /nfs/dbraw/zinc/42/84/45/555428445.db2.gz DYFBZFATAJWHQX-MHZLTWQESA-N 1 2 499.663 5.431 40 0 JKABLO Cc1ccc2cc(C[N@H+](Cc3cccnc3)[C@H](c3nnnn3C3CCCCC3)C(C)C)c(=O)[nH]c2c1C ZINC000013499133 555428447 /nfs/dbraw/zinc/42/84/47/555428447.db2.gz DYFBZFATAJWHQX-MHZLTWQESA-N 1 2 499.663 5.431 40 0 JKABLO CCC(C)(C)n1nnnc1[C@H](C(C)C)[N@H+](Cc1ccco1)Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000013499123 555428508 /nfs/dbraw/zinc/42/85/08/555428508.db2.gz MUFDDDZFLBHNKK-DEOSSOPVSA-N 1 2 476.625 5.269 40 0 JKABLO CCC(C)(C)n1nnnc1[C@H](C(C)C)[N@@H+](Cc1ccco1)Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000013499123 555428510 /nfs/dbraw/zinc/42/85/10/555428510.db2.gz MUFDDDZFLBHNKK-DEOSSOPVSA-N 1 2 476.625 5.269 40 0 JKABLO Cc1ccc2cc(C[N@@H+](Cc3ccccc3)[C@@H](c3nnnn3C3CCCCC3)C(C)C)c(=O)[nH]c2c1C ZINC000013499130 555428518 /nfs/dbraw/zinc/42/85/18/555428518.db2.gz TYQLNKXPMXWFCW-MUUNZHRXSA-N 1 2 498.675 6.036 40 0 JKABLO Cc1ccc2cc(C[N@H+](Cc3ccccc3)[C@@H](c3nnnn3C3CCCCC3)C(C)C)c(=O)[nH]c2c1C ZINC000013499130 555428519 /nfs/dbraw/zinc/42/85/19/555428519.db2.gz TYQLNKXPMXWFCW-MUUNZHRXSA-N 1 2 498.675 6.036 40 0 JKABLO Cc1ccc(C[N@H+](Cc2cc3c(C)ccc(C)c3[nH]c2=O)[C@H](c2nnnn2C2CCCC2)C(C)C)cc1 ZINC000013499195 555429188 /nfs/dbraw/zinc/42/91/88/555429188.db2.gz XZENPKRNNCSWKF-NDEPHWFRSA-N 1 2 498.675 5.954 40 0 JKABLO Cc1ccc(C[N@@H+](Cc2cc3c(C)ccc(C)c3[nH]c2=O)[C@H](c2nnnn2C2CCCC2)C(C)C)cc1 ZINC000013499195 555429192 /nfs/dbraw/zinc/42/91/92/555429192.db2.gz XZENPKRNNCSWKF-NDEPHWFRSA-N 1 2 498.675 5.954 40 0 JKABLO Cc1ccc(C)c2[nH]c(=O)c(C[N@@H+](Cc3ccccc3)[C@H](c3nnnn3Cc3ccco3)C(C)C)cc12 ZINC000013499203 555429215 /nfs/dbraw/zinc/42/92/15/555429215.db2.gz TYQCNPXGOHVTSP-MHZLTWQESA-N 1 2 496.615 5.172 40 0 JKABLO Cc1ccc(C)c2[nH]c(=O)c(C[N@H+](Cc3ccccc3)[C@H](c3nnnn3Cc3ccco3)C(C)C)cc12 ZINC000013499203 555429219 /nfs/dbraw/zinc/42/92/19/555429219.db2.gz TYQCNPXGOHVTSP-MHZLTWQESA-N 1 2 496.615 5.172 40 0 JKABLO Cc1ccc(C)c2[nH]c(=O)c(C[N@@H+](Cc3ccccc3)[C@@H](c3nnnn3Cc3ccco3)C(C)C)cc12 ZINC000013499202 555429310 /nfs/dbraw/zinc/42/93/10/555429310.db2.gz TYQCNPXGOHVTSP-HHHXNRCGSA-N 1 2 496.615 5.172 40 0 JKABLO Cc1ccc(C)c2[nH]c(=O)c(C[N@H+](Cc3ccccc3)[C@@H](c3nnnn3Cc3ccco3)C(C)C)cc12 ZINC000013499202 555429312 /nfs/dbraw/zinc/42/93/12/555429312.db2.gz TYQCNPXGOHVTSP-HHHXNRCGSA-N 1 2 496.615 5.172 40 0 JKABLO CCC[C@H](c1nnnn1C(C)(C)C)[N@H+](Cc1ccc(F)cc1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000013499265 555429984 /nfs/dbraw/zinc/42/99/84/555429984.db2.gz FHKHAAUDEDFWOS-XMMPIXPASA-N 1 2 476.600 5.261 40 0 JKABLO CCC[C@H](c1nnnn1C(C)(C)C)[N@@H+](Cc1ccc(F)cc1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000013499265 555429987 /nfs/dbraw/zinc/42/99/87/555429987.db2.gz FHKHAAUDEDFWOS-XMMPIXPASA-N 1 2 476.600 5.261 40 0 JKABLO CCC[C@@H](c1nnnn1C(C)(C)CC)[N@H+](Cc1ccc(F)cc1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000013499278 555430045 /nfs/dbraw/zinc/43/00/45/555430045.db2.gz IMOOOUWRVFBUKV-VWLOTQADSA-N 1 2 490.627 5.651 40 0 JKABLO CCC[C@@H](c1nnnn1C(C)(C)CC)[N@@H+](Cc1ccc(F)cc1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000013499278 555430048 /nfs/dbraw/zinc/43/00/48/555430048.db2.gz IMOOOUWRVFBUKV-VWLOTQADSA-N 1 2 490.627 5.651 40 0 JKABLO CCC[C@H](c1nnnn1C1CCCCC1)[N@H+](Cc1cccs1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000013499293 555430053 /nfs/dbraw/zinc/43/00/53/555430053.db2.gz CQZYMEUVYPAEIW-RUZDIDTESA-N 1 2 490.677 5.933 40 0 JKABLO CCC[C@H](c1nnnn1C1CCCCC1)[N@@H+](Cc1cccs1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000013499293 555430056 /nfs/dbraw/zinc/43/00/56/555430056.db2.gz CQZYMEUVYPAEIW-RUZDIDTESA-N 1 2 490.677 5.933 40 0 JKABLO CCC[C@H](c1nnnn1Cc1ccccc1)[N@H+](Cc1ccccc1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000013499307 555430370 /nfs/dbraw/zinc/43/03/70/555430370.db2.gz PHYANLDWQYOMGA-MUUNZHRXSA-N 1 2 492.627 5.415 40 0 JKABLO CCC[C@H](c1nnnn1Cc1ccccc1)[N@@H+](Cc1ccccc1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000013499307 555430371 /nfs/dbraw/zinc/43/03/71/555430371.db2.gz PHYANLDWQYOMGA-MUUNZHRXSA-N 1 2 492.627 5.415 40 0 JKABLO CCC[C@@H](c1nnnn1Cc1ccccc1)[N@@H+](Cc1ccccc1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000013499308 555430399 /nfs/dbraw/zinc/43/03/99/555430399.db2.gz PHYANLDWQYOMGA-NDEPHWFRSA-N 1 2 492.627 5.415 40 0 JKABLO CCC[C@@H](c1nnnn1Cc1ccccc1)[N@H+](Cc1ccccc1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000013499308 555430397 /nfs/dbraw/zinc/43/03/97/555430397.db2.gz PHYANLDWQYOMGA-NDEPHWFRSA-N 1 2 492.627 5.415 40 0 JKABLO CCC[C@@H](c1nnnn1C(C)(C)C)[N@H+](Cc1ccc(F)cc1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000013499432 555431322 /nfs/dbraw/zinc/43/13/22/555431322.db2.gz ZDJRBDRKNFWPQY-VWLOTQADSA-N 1 2 490.627 5.569 40 0 JKABLO CCC[C@@H](c1nnnn1C(C)(C)C)[N@@H+](Cc1ccc(F)cc1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000013499432 555431324 /nfs/dbraw/zinc/43/13/24/555431324.db2.gz ZDJRBDRKNFWPQY-VWLOTQADSA-N 1 2 490.627 5.569 40 0 JKABLO CCC[C@H](c1nnnn1C(C)(C)CC)[N@H+](Cc1cccs1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000013499453 555431674 /nfs/dbraw/zinc/43/16/74/555431674.db2.gz PUPUPLTVXFKAHS-XMMPIXPASA-N 1 2 492.693 5.882 40 0 JKABLO CCC[C@H](c1nnnn1C(C)(C)CC)[N@@H+](Cc1cccs1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000013499453 555431677 /nfs/dbraw/zinc/43/16/77/555431677.db2.gz PUPUPLTVXFKAHS-XMMPIXPASA-N 1 2 492.693 5.882 40 0 JKABLO CCC[C@@H](c1nnnn1Cc1ccco1)[N@H+](Cc1ccccc1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000013499522 555432276 /nfs/dbraw/zinc/43/22/76/555432276.db2.gz FVTGOPUAOGDUDY-MHZLTWQESA-N 1 2 496.615 5.316 40 0 JKABLO CCC[C@@H](c1nnnn1Cc1ccco1)[N@@H+](Cc1ccccc1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000013499522 555432278 /nfs/dbraw/zinc/43/22/78/555432278.db2.gz FVTGOPUAOGDUDY-MHZLTWQESA-N 1 2 496.615 5.316 40 0 JKABLO CCC[C@@H](c1nnnn1Cc1ccco1)[N@H+](Cc1ccccc1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000013499606 555433428 /nfs/dbraw/zinc/43/34/28/555433428.db2.gz UCFRGZNAHTVUCK-MHZLTWQESA-N 1 2 496.615 5.316 40 0 JKABLO CCC[C@@H](c1nnnn1Cc1ccco1)[N@@H+](Cc1ccccc1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000013499606 555433431 /nfs/dbraw/zinc/43/34/31/555433431.db2.gz UCFRGZNAHTVUCK-MHZLTWQESA-N 1 2 496.615 5.316 40 0 JKABLO Cc1cc(C)c2[nH]c(=O)c(C[N@@H+](Cc3ccc(F)cc3)[C@H](c3nnnn3C(C)(C)C)C(C)C)cc2c1 ZINC000013500230 555438178 /nfs/dbraw/zinc/43/81/78/555438178.db2.gz YOMCWFIYMYKSLY-VWLOTQADSA-N 1 2 490.627 5.425 40 0 JKABLO Cc1cc(C)c2[nH]c(=O)c(C[N@H+](Cc3ccc(F)cc3)[C@H](c3nnnn3C(C)(C)C)C(C)C)cc2c1 ZINC000013500230 555438179 /nfs/dbraw/zinc/43/81/79/555438179.db2.gz YOMCWFIYMYKSLY-VWLOTQADSA-N 1 2 490.627 5.425 40 0 JKABLO CCOc1ccc2[nH]c(=O)c(C[N@H+](Cc3cccs3)[C@@H](c3nnnn3C(C)(C)C)C(C)C)cc2c1 ZINC000013500270 555438529 /nfs/dbraw/zinc/43/85/29/555438529.db2.gz MPADKRSHEXLXOJ-HSZRJFAPSA-N 1 2 494.665 5.129 40 0 JKABLO CCOc1ccc2[nH]c(=O)c(C[N@@H+](Cc3cccs3)[C@@H](c3nnnn3C(C)(C)C)C(C)C)cc2c1 ZINC000013500270 555438531 /nfs/dbraw/zinc/43/85/31/555438531.db2.gz MPADKRSHEXLXOJ-HSZRJFAPSA-N 1 2 494.665 5.129 40 0 JKABLO Cc1ccc2[nH]c(=O)c(C[N@@H+](Cc3ccccc3)[C@H](c3nnnn3Cc3ccccc3)C(C)C)cc2c1 ZINC000013500306 555438979 /nfs/dbraw/zinc/43/89/79/555438979.db2.gz KGJSYRNSIQEUQF-NDEPHWFRSA-N 1 2 492.627 5.271 40 0 JKABLO Cc1ccc2[nH]c(=O)c(C[N@H+](Cc3ccccc3)[C@H](c3nnnn3Cc3ccccc3)C(C)C)cc2c1 ZINC000013500306 555438982 /nfs/dbraw/zinc/43/89/82/555438982.db2.gz KGJSYRNSIQEUQF-NDEPHWFRSA-N 1 2 492.627 5.271 40 0 JKABLO Cc1ccc(C[N@H+](Cc2cc3cc(C)ccc3[nH]c2=O)[C@H](c2nnnn2C2CCCC2)C(C)C)cc1 ZINC000013500340 555439314 /nfs/dbraw/zinc/43/93/14/555439314.db2.gz FMVJKEBMYCQMAQ-MHZLTWQESA-N 1 2 484.648 5.646 40 0 JKABLO Cc1ccc(C[N@@H+](Cc2cc3cc(C)ccc3[nH]c2=O)[C@H](c2nnnn2C2CCCC2)C(C)C)cc1 ZINC000013500340 555439317 /nfs/dbraw/zinc/43/93/17/555439317.db2.gz FMVJKEBMYCQMAQ-MHZLTWQESA-N 1 2 484.648 5.646 40 0 JKABLO CCC[C@@H](c1nnnn1C(C)(C)C)[N@H+](Cc1ccc(F)cc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013500715 555442971 /nfs/dbraw/zinc/44/29/71/555442971.db2.gz PPCSEXTUJBGMIZ-DEOSSOPVSA-N 1 2 476.600 5.261 40 0 JKABLO CCC[C@@H](c1nnnn1C(C)(C)C)[N@@H+](Cc1ccc(F)cc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013500715 555442973 /nfs/dbraw/zinc/44/29/73/555442973.db2.gz PPCSEXTUJBGMIZ-DEOSSOPVSA-N 1 2 476.600 5.261 40 0 JKABLO CCC[C@H](c1nnnn1C(C)(C)C)[N@H+](Cc1ccc(OC)cc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013500720 555443385 /nfs/dbraw/zinc/44/33/85/555443385.db2.gz JEOAMJYQOUORLJ-RUZDIDTESA-N 1 2 488.636 5.130 40 0 JKABLO CCC[C@H](c1nnnn1C(C)(C)C)[N@@H+](Cc1ccc(OC)cc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013500720 555443387 /nfs/dbraw/zinc/44/33/87/555443387.db2.gz JEOAMJYQOUORLJ-RUZDIDTESA-N 1 2 488.636 5.130 40 0 JKABLO CCC[C@H](c1nnnn1C1CCCCC1)[N@H+](Cc1ccccc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013500774 555443790 /nfs/dbraw/zinc/44/37/90/555443790.db2.gz OMSMJQVIAAKNNJ-HHHXNRCGSA-N 1 2 484.648 5.872 40 0 JKABLO CCC[C@H](c1nnnn1C1CCCCC1)[N@@H+](Cc1ccccc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013500774 555443792 /nfs/dbraw/zinc/44/37/92/555443792.db2.gz OMSMJQVIAAKNNJ-HHHXNRCGSA-N 1 2 484.648 5.872 40 0 JKABLO CCC[C@@H](c1nnnn1C1CCCCC1)[N@H+](Cc1ccccc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013500789 555443799 /nfs/dbraw/zinc/44/37/99/555443799.db2.gz PTVOMBVUQRGXCV-SANMLTNESA-N 1 2 484.648 5.872 40 0 JKABLO CCC[C@@H](c1nnnn1C1CCCCC1)[N@@H+](Cc1ccccc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013500789 555443801 /nfs/dbraw/zinc/44/38/01/555443801.db2.gz PTVOMBVUQRGXCV-SANMLTNESA-N 1 2 484.648 5.872 40 0 JKABLO CCC[C@@H](c1nnnn1Cc1ccco1)[N@H+](Cc1ccccc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013500781 555443871 /nfs/dbraw/zinc/44/38/71/555443871.db2.gz CAZYDABDOIONNB-SANMLTNESA-N 1 2 482.588 5.008 40 0 JKABLO CCC[C@@H](c1nnnn1Cc1ccco1)[N@@H+](Cc1ccccc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013500781 555443874 /nfs/dbraw/zinc/44/38/74/555443874.db2.gz CAZYDABDOIONNB-SANMLTNESA-N 1 2 482.588 5.008 40 0 JKABLO CCC[C@@H](c1nnnn1C1CCCCC1)[N@H+](Cc1ccccc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013500775 555443881 /nfs/dbraw/zinc/44/38/81/555443881.db2.gz OMSMJQVIAAKNNJ-MHZLTWQESA-N 1 2 484.648 5.872 40 0 JKABLO CCC[C@@H](c1nnnn1C1CCCCC1)[N@@H+](Cc1ccccc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013500775 555443885 /nfs/dbraw/zinc/44/38/85/555443885.db2.gz OMSMJQVIAAKNNJ-MHZLTWQESA-N 1 2 484.648 5.872 40 0 JKABLO CCC[C@H](c1nnnn1C1CCCC1)[N@H+](Cc1ccccc1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013500796 555444015 /nfs/dbraw/zinc/44/40/15/555444015.db2.gz ZCOKZCHBLVFYGI-AREMUKBSSA-N 1 2 484.648 5.790 40 0 JKABLO CCC[C@H](c1nnnn1C1CCCC1)[N@@H+](Cc1ccccc1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013500796 555444018 /nfs/dbraw/zinc/44/40/18/555444018.db2.gz ZCOKZCHBLVFYGI-AREMUKBSSA-N 1 2 484.648 5.790 40 0 JKABLO CCC[C@H](c1nnnn1C1CCCC1)[N@H+](Cc1ccccc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013500786 555444023 /nfs/dbraw/zinc/44/40/23/555444023.db2.gz NRZXYERPMUBEMZ-RUZDIDTESA-N 1 2 470.621 5.482 40 0 JKABLO CCC[C@H](c1nnnn1C1CCCC1)[N@@H+](Cc1ccccc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013500786 555444025 /nfs/dbraw/zinc/44/40/25/555444025.db2.gz NRZXYERPMUBEMZ-RUZDIDTESA-N 1 2 470.621 5.482 40 0 JKABLO CCC[C@H](c1nnnn1C(C)(C)CC)[N@H+](Cc1ccc(F)cc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013500828 555444271 /nfs/dbraw/zinc/44/42/71/555444271.db2.gz LZGOZWRCWPLRBG-XMMPIXPASA-N 1 2 490.627 5.651 40 0 JKABLO CCC[C@H](c1nnnn1C(C)(C)CC)[N@@H+](Cc1ccc(F)cc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013500828 555444273 /nfs/dbraw/zinc/44/42/73/555444273.db2.gz LZGOZWRCWPLRBG-XMMPIXPASA-N 1 2 490.627 5.651 40 0 JKABLO CCC[C@@H](c1nnnn1C1CCCC1)[N@H+](Cc1ccc(F)cc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013500831 555444282 /nfs/dbraw/zinc/44/42/82/555444282.db2.gz DOYQSZOMVWRPIY-VWLOTQADSA-N 1 2 488.611 5.621 40 0 JKABLO CCC[C@@H](c1nnnn1C1CCCC1)[N@@H+](Cc1ccc(F)cc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013500831 555444284 /nfs/dbraw/zinc/44/42/84/555444284.db2.gz DOYQSZOMVWRPIY-VWLOTQADSA-N 1 2 488.611 5.621 40 0 JKABLO CCC[C@@H](c1nnnn1C1CCCC1)[N@H+](Cc1ccc(C)cc1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013500823 555444312 /nfs/dbraw/zinc/44/43/12/555444312.db2.gz PNQXYXWDXMVOLI-MHZLTWQESA-N 1 2 498.675 6.099 40 0 JKABLO CCC[C@@H](c1nnnn1C1CCCC1)[N@@H+](Cc1ccc(C)cc1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013500823 555444314 /nfs/dbraw/zinc/44/43/14/555444314.db2.gz PNQXYXWDXMVOLI-MHZLTWQESA-N 1 2 498.675 6.099 40 0 JKABLO CCC[C@@H](c1nnnn1C1CCCCC1)[N@H+](Cc1ccc(C)cc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013500811 555444337 /nfs/dbraw/zinc/44/43/37/555444337.db2.gz LUIFOVFANGGKSB-MHZLTWQESA-N 1 2 498.675 6.180 40 0 JKABLO CCC[C@@H](c1nnnn1C1CCCCC1)[N@@H+](Cc1ccc(C)cc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013500811 555444340 /nfs/dbraw/zinc/44/43/40/555444340.db2.gz LUIFOVFANGGKSB-MHZLTWQESA-N 1 2 498.675 6.180 40 0 JKABLO CCC[C@H](c1nnnn1C(C)(C)CC)[N@H+](Cc1cccs1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013500970 555445926 /nfs/dbraw/zinc/44/59/26/555445926.db2.gz JXSGFLUMOISTDC-HSZRJFAPSA-N 1 2 492.693 5.882 40 0 JKABLO CCC[C@H](c1nnnn1C(C)(C)CC)[N@@H+](Cc1cccs1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013500970 555445928 /nfs/dbraw/zinc/44/59/28/555445928.db2.gz JXSGFLUMOISTDC-HSZRJFAPSA-N 1 2 492.693 5.882 40 0 JKABLO CCC[C@@H](c1nnnn1C1CCCC1)[N@H+](Cc1cccs1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013500959 555445934 /nfs/dbraw/zinc/44/59/34/555445934.db2.gz FRMXDEQZWIZXQR-DEOSSOPVSA-N 1 2 476.650 5.543 40 0 JKABLO CCC[C@@H](c1nnnn1C1CCCC1)[N@@H+](Cc1cccs1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013500959 555445936 /nfs/dbraw/zinc/44/59/36/555445936.db2.gz FRMXDEQZWIZXQR-DEOSSOPVSA-N 1 2 476.650 5.543 40 0 JKABLO COCCn1nnnc1[C@@H](c1ccc(C(F)(F)F)cc1)[N@H+](CCc1ccccc1)Cc1ccccc1 ZINC000013561795 555495082 /nfs/dbraw/zinc/49/50/82/555495082.db2.gz SJNCMFGXMPGMHF-RUZDIDTESA-N 1 2 495.549 5.173 40 0 JKABLO COCCn1nnnc1[C@@H](c1ccc(C(F)(F)F)cc1)[N@@H+](CCc1ccccc1)Cc1ccccc1 ZINC000013561795 555495087 /nfs/dbraw/zinc/49/50/87/555495087.db2.gz SJNCMFGXMPGMHF-RUZDIDTESA-N 1 2 495.549 5.173 40 0 JKABLO CC[N@H+](Cc1ccccc1)[C@@H](c1nnnn1Cc1ccc(OC)cc1)c1cccc(C(F)(F)F)c1 ZINC000013561786 555495095 /nfs/dbraw/zinc/49/50/95/555495095.db2.gz ZFWSKZFXCDIUOI-XMMPIXPASA-N 1 2 481.522 5.360 40 0 JKABLO CC[N@@H+](Cc1ccccc1)[C@@H](c1nnnn1Cc1ccc(OC)cc1)c1cccc(C(F)(F)F)c1 ZINC000013561786 555495099 /nfs/dbraw/zinc/49/50/99/555495099.db2.gz ZFWSKZFXCDIUOI-XMMPIXPASA-N 1 2 481.522 5.360 40 0 JKABLO CC(C)(C)n1nnnc1[C@@H](c1cccc(C(F)(F)F)c1)[N@H+](CCc1ccccc1)Cc1cccs1 ZINC000013561902 555495369 /nfs/dbraw/zinc/49/53/69/555495369.db2.gz BFCDMBFRVAAXMQ-HSZRJFAPSA-N 1 2 499.606 6.343 40 0 JKABLO CC(C)(C)n1nnnc1[C@@H](c1cccc(C(F)(F)F)c1)[N@@H+](CCc1ccccc1)Cc1cccs1 ZINC000013561902 555495373 /nfs/dbraw/zinc/49/53/73/555495373.db2.gz BFCDMBFRVAAXMQ-HSZRJFAPSA-N 1 2 499.606 6.343 40 0 JKABLO Cc1cccc2cc(CN(CC[NH+]3CCOCC3)C(=O)Nc3c(C)cccc3C)c(Cl)nc12 ZINC000013561976 555495466 /nfs/dbraw/zinc/49/54/66/555495466.db2.gz OZCKDAASQIUFQD-UHFFFAOYSA-N 1 2 467.013 5.180 40 0 JKABLO COc1ccc([C@H]2[C@H]3CCCC[C@@]3(O)CC[N@@H+]2CC(=O)Nc2ccc(Cl)cc2Cl)cc1 ZINC000013776678 555616698 /nfs/dbraw/zinc/61/66/98/555616698.db2.gz VVNRXHLRZKJTDX-VEXUSMLFSA-N 1 2 463.405 5.309 40 0 JKABLO COc1ccc([C@H]2[C@H]3CCCC[C@@]3(O)CC[N@H+]2CC(=O)Nc2ccc(Cl)cc2Cl)cc1 ZINC000013776678 555616702 /nfs/dbraw/zinc/61/67/02/555616702.db2.gz VVNRXHLRZKJTDX-VEXUSMLFSA-N 1 2 463.405 5.309 40 0 JKABLO C[NH+](C)CCOc1cc(NS(=O)(=O)c2c(Cl)cc(C(F)(F)F)cc2Cl)ccc1Cl ZINC000013986675 555667090 /nfs/dbraw/zinc/66/70/90/555667090.db2.gz UIZHOFJFIOCYLH-UHFFFAOYSA-N 1 2 491.746 5.407 40 0 in-vitro JKABLO CCc1ccc(OCC(=O)Nc2cc3nn(-c4ccc([NH+](CC)CC)cc4C)nc3cc2C)cc1 ZINC000014272821 555770993 /nfs/dbraw/zinc/77/09/93/555770993.db2.gz LJEFIDOKRQYLKS-UHFFFAOYSA-N 1 2 471.605 5.463 40 0 JKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=O)c4cc(OC)cc(OC)c4)cc3n2)c(C)c1 ZINC000014272796 555771000 /nfs/dbraw/zinc/77/10/00/555771000.db2.gz QUBPOSSDTUECGJ-UHFFFAOYSA-N 1 2 473.577 5.153 40 0 JKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=O)c4cccc(C)c4OC)cc3n2)c(C)c1 ZINC000014272818 555771100 /nfs/dbraw/zinc/77/11/00/555771100.db2.gz SIQZOURRGAJQSY-UHFFFAOYSA-N 1 2 457.578 5.453 40 0 JKABLO O=C(NC(=S)Nc1ccc(C[NH+]2CCOCC2)cc1)c1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000020353398 555781148 /nfs/dbraw/zinc/78/11/48/555781148.db2.gz NPRRPXQZXVHTGB-UHFFFAOYSA-N 1 2 490.412 5.212 40 0 JKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)C=Cc4ccccc4)cc3n2)c(C)c1 ZINC000014275846 555781983 /nfs/dbraw/zinc/78/19/83/555781983.db2.gz ACNWZLLXSZQODZ-NTCAYCPXSA-N 1 2 498.656 5.410 40 0 JKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)c4cccc(C)c4)cc3n2)c(C)c1 ZINC000014275836 555782101 /nfs/dbraw/zinc/78/21/01/555782101.db2.gz XEAGHVOQAOPKLP-UHFFFAOYSA-N 1 2 486.645 5.319 40 0 JKABLO Cc1ccc(NC(=O)C2=C(C)n3c4ccccc4[nH+]c3N[C@@H]2c2ccc(C(C)C)cc2)c(C)c1 ZINC000020357007 555787224 /nfs/dbraw/zinc/78/72/24/555787224.db2.gz QJGIXEXDXVTBEE-HHHXNRCGSA-N 1 2 450.586 6.813 40 0 JKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=O)/C=C/c4ccc(C(C)C)cc4)cc3n2)c(C)c1 ZINC000014278574 555788782 /nfs/dbraw/zinc/78/87/82/555788782.db2.gz LTUFSXZKIOKARH-LFIBNONCSA-N 1 2 481.644 6.659 40 0 JKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(OCC(C)C)cc4)cc3n2)c(C)c1 ZINC000014278556 555788793 /nfs/dbraw/zinc/78/87/93/555788793.db2.gz IEOSYWIJBPSKBO-UHFFFAOYSA-N 1 2 485.632 6.171 40 0 JKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=O)/C=C/c4ccc(Cl)cc4)cc3n2)c(C)c1 ZINC000014278561 555788852 /nfs/dbraw/zinc/78/88/52/555788852.db2.gz YNRPOODKEQQYLV-NTEUORMPSA-N 1 2 474.008 6.189 40 0 JKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=O)CSc4ccc(Cl)cc4)cc3n2)c(C)c1 ZINC000014278576 555788879 /nfs/dbraw/zinc/78/88/79/555788879.db2.gz GDDKZOXVSQFGLK-UHFFFAOYSA-N 1 2 494.064 6.268 40 0 JKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=O)CC45CC6CC(CC(C6)C4)C5)cc3n2)c(C)c1 ZINC000014278590 555789140 /nfs/dbraw/zinc/78/91/40/555789140.db2.gz NCKCZNIECMZKJA-UHFFFAOYSA-N 1 2 485.676 6.429 40 0 JKABLO FC(F)(F)c1ccc(CN2Cc3[nH]c[nH+]c3C[C@H]2c2nc(-c3ccc(C(F)(F)F)cc3)no2)cc1 ZINC000015675540 555933845 /nfs/dbraw/zinc/93/38/45/555933845.db2.gz WPFKVXQNJFTYEU-IBGZPJMESA-N 1 2 493.411 5.797 40 0 biogenic,in-vitro JKABLO Cc1ccc(NC(=O)N2Cc3[nH+]c[nH]c3C[C@H]2c2nc(-c3ccc(C(F)(F)F)cc3)no2)cc1 ZINC000015675780 555934610 /nfs/dbraw/zinc/93/46/10/555934610.db2.gz KAHYUKPCSCRQRZ-IBGZPJMESA-N 1 2 468.439 5.118 40 0 biogenic,in-vitro JKABLO Cc1ccc(NC(=O)N2Cc3[nH]c[nH+]c3C[C@H]2c2nc(-c3ccc(C(F)(F)F)cc3)no2)cc1 ZINC000015675780 555934612 /nfs/dbraw/zinc/93/46/12/555934612.db2.gz KAHYUKPCSCRQRZ-IBGZPJMESA-N 1 2 468.439 5.118 40 0 biogenic,in-vitro JKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(OC(C)C)cc4)cc3n2)cc1 ZINC000022564505 555935233 /nfs/dbraw/zinc/93/52/33/555935233.db2.gz PMLLODUJRYECLI-UHFFFAOYSA-N 1 2 457.578 5.615 40 0 JKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=O)c4cccc(Cl)c4Cl)cc3n2)cc1 ZINC000022704025 555942600 /nfs/dbraw/zinc/94/26/00/555942600.db2.gz SLWYUYNQHCVUJZ-UHFFFAOYSA-N 1 2 468.388 6.134 40 0 JKABLO CCc1ccc(C(=O)NC(=S)Nc2cc3nn(-c4ccc([NH+](CC)CC)cc4)nc3cc2C)cc1 ZINC000022744682 555950496 /nfs/dbraw/zinc/95/04/96/555950496.db2.gz JFKJLAGVNRSKDL-UHFFFAOYSA-N 1 2 486.645 5.264 40 0 JKABLO Fc1ccc(C(c2ccc(F)cc2)[NH+]2CCN(C(=S)Nc3ccc(C(F)(F)F)cc3)CC2)cc1 ZINC000022749685 555952003 /nfs/dbraw/zinc/95/20/03/555952003.db2.gz DFMSMZBGFLDBMD-UHFFFAOYSA-N 1 2 491.529 6.088 40 0 JKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)c4ccc(Cl)cc4)cc3n2)cc1 ZINC000022751405 555952678 /nfs/dbraw/zinc/95/26/78/555952678.db2.gz YKFODOOODDMIRG-UHFFFAOYSA-N 1 2 493.036 5.355 40 0 JKABLO O=C(Nc1ccc(Cl)cc1)N1Cc2[nH+]c[nH]c2C[C@H]1c1nc(-c2ccc(F)c(Cl)c2)no1 ZINC000015707302 555952828 /nfs/dbraw/zinc/95/28/28/555952828.db2.gz LISGWRDXUUHFJM-SFHVURJKSA-N 1 2 473.295 5.237 40 0 biogenic,in-vitro JKABLO O=C(Nc1ccc(Cl)cc1)N1Cc2[nH]c[nH+]c2C[C@H]1c1nc(-c2ccc(F)c(Cl)c2)no1 ZINC000015707302 555952831 /nfs/dbraw/zinc/95/28/31/555952831.db2.gz LISGWRDXUUHFJM-SFHVURJKSA-N 1 2 473.295 5.237 40 0 biogenic,in-vitro JKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=O)c4cc(Cl)cc(Cl)c4OC)cc3n2)cc1 ZINC000022818641 555955022 /nfs/dbraw/zinc/95/50/22/555955022.db2.gz PJFWFGJDYZYOGO-UHFFFAOYSA-N 1 2 498.414 6.143 40 0 JKABLO Cc1cccc(-c2noc([C@@H]3Cc4[nH]c[nH+]c4CN3C(=O)c3ccc(-c4ccccc4)cc3)n2)c1 ZINC000012530134 556000004 /nfs/dbraw/zinc/00/00/04/556000004.db2.gz SHIJDEYILNFNIX-VWLOTQADSA-N 1 2 461.525 5.375 40 0 biogenic,in-vitro JKABLO Cc1cccc(-c2noc([C@@H]3Cc4[nH+]c[nH]c4CN3C(=O)c3ccc(-c4ccccc4)cc3)n2)c1 ZINC000012530134 556000005 /nfs/dbraw/zinc/00/00/05/556000005.db2.gz SHIJDEYILNFNIX-VWLOTQADSA-N 1 2 461.525 5.375 40 0 biogenic,in-vitro JKABLO CCOC(=O)[C@H](CC)Sc1[nH+]cnc2c1c(-c1ccccc1)cn2-c1ccc(Cl)cc1 ZINC000016757884 556157750 /nfs/dbraw/zinc/15/77/50/556157750.db2.gz RPDWGMOHILMGIR-FQEVSTJZSA-N 1 2 451.979 6.175 40 0 JKABLO CCOC(=O)[C@@H](C)Sc1[nH+]cnc2c1c(-c1ccccc1)cn2-c1ccc(C)c(Cl)c1 ZINC000016758027 556158056 /nfs/dbraw/zinc/15/80/56/556158056.db2.gz KNFTXWQKJPKSGV-MRXNPFEDSA-N 1 2 451.979 6.093 40 0 JKABLO CC(=O)C[C@@H](C)Sc1[nH+]cnc2c1c(-c1ccccc1)cn2-c1ccc(Br)cc1 ZINC000016758014 556158147 /nfs/dbraw/zinc/15/81/47/556158147.db2.gz VCFCDKMIIAKVOX-MRXNPFEDSA-N 1 2 466.404 6.310 40 0 JKABLO CC(=O)[C@H](C)Sc1[nH+]cnc2c1c(-c1ccccc1)cn2-c1ccc(Br)cc1 ZINC000016757987 556158159 /nfs/dbraw/zinc/15/81/59/556158159.db2.gz JPELWMQHIDGYQC-HNNXBMFYSA-N 1 2 452.377 5.920 40 0 JKABLO CCOC(=O)C(C)(C)Sc1[nH+]cnc2c1c(-c1ccccc1)cn2-c1ccc(Cl)cc1 ZINC000016757919 556158187 /nfs/dbraw/zinc/15/81/87/556158187.db2.gz MDSWHZLUKOASMX-UHFFFAOYSA-N 1 2 451.979 6.175 40 0 JKABLO Cc1cc(OC[C@H](O)C[NH+]2CCN(C(c3ccccc3)c3ccccc3)CC2)cc(C)c1Cl ZINC000026781409 556262560 /nfs/dbraw/zinc/26/25/60/556262560.db2.gz SNFWKNCDNJHFQI-RUZDIDTESA-N 1 2 465.037 5.104 40 0 JKABLO CCOc1ccc(C(C)(C)C)cc1S(=O)(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000028358365 556332324 /nfs/dbraw/zinc/33/23/24/556332324.db2.gz GHUSQIKOFYAECN-UHFFFAOYSA-N 1 2 492.685 5.479 40 0 JKABLO O=C1C[C@@H](c2ccc(Br)cc2)[NH2+][C@H](c2ccc(Br)cc2)[C@H]1c1ccccc1 ZINC000019201783 556333484 /nfs/dbraw/zinc/33/34/84/556333484.db2.gz GWXVHIWWZSJFAP-ACIOBRDBSA-N 1 2 485.219 6.340 40 0 JKABLO C[C@H](NC(=O)COc1nc(C[NH+]2CCCCC2)nc2scc(-c3cccs3)c21)c1ccco1 ZINC000028616778 556337188 /nfs/dbraw/zinc/33/71/88/556337188.db2.gz KPCRDEWRZRWIDE-INIZCTEOSA-N 1 2 482.631 5.255 40 0 JKABLO Cc1cccc(C)c1NC(=O)COc1nc(C[NH+]2CCCCC2)nc2scc(-c3cccs3)c21 ZINC000028616774 556337251 /nfs/dbraw/zinc/33/72/51/556337251.db2.gz ASLUXYIWOPVHEM-UHFFFAOYSA-N 1 2 492.670 6.040 40 0 JKABLO Cc1cccc2cc(C[N@@H+](Cc3ccco3)[C@@H](c3nnnn3CCc3ccccc3)C(C)C)c(=O)[nH]c12 ZINC000019236497 556337381 /nfs/dbraw/zinc/33/73/81/556337381.db2.gz FSGMXJQPRRSAIU-HHHXNRCGSA-N 1 2 496.615 5.058 40 0 aggregator JKABLO Cc1cccc2cc(C[N@H+](Cc3ccco3)[C@@H](c3nnnn3CCc3ccccc3)C(C)C)c(=O)[nH]c12 ZINC000019236497 556337383 /nfs/dbraw/zinc/33/73/83/556337383.db2.gz FSGMXJQPRRSAIU-HHHXNRCGSA-N 1 2 496.615 5.058 40 0 aggregator JKABLO O=C1C2[C@H](c3ccccc3)[N@@H+](CN3[C@H](c4ccccc4)C1[C@H]3c1ccccc1)[C@@H]2c1ccccc1 ZINC000019300839 556339484 /nfs/dbraw/zinc/33/94/84/556339484.db2.gz GQEOESVBSCGECK-BABNNPPLSA-N 1 2 456.589 6.355 40 0 JKABLO O=C1C2[C@H](c3ccccc3)[N@H+](CN3[C@H](c4ccccc4)C1[C@H]3c1ccccc1)[C@@H]2c1ccccc1 ZINC000019300839 556339488 /nfs/dbraw/zinc/33/94/88/556339488.db2.gz GQEOESVBSCGECK-BABNNPPLSA-N 1 2 456.589 6.355 40 0 JKABLO O=C1C2[C@H](c3ccccc3)N(C[NH+]3[C@H](c4ccccc4)C1[C@H]3c1ccccc1)[C@@H]2c1ccccc1 ZINC000019300839 556339490 /nfs/dbraw/zinc/33/94/90/556339490.db2.gz GQEOESVBSCGECK-BABNNPPLSA-N 1 2 456.589 6.355 40 0 JKABLO CCc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C3CCCCC3)[N@H+](CC)Cc3ccccc3)cc2c1 ZINC000019522962 556351073 /nfs/dbraw/zinc/35/10/73/556351073.db2.gz FYTROPUAMZBYEV-SANMLTNESA-N 1 2 470.621 5.194 40 0 JKABLO CCc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C3CCCCC3)[N@@H+](CC)Cc3ccccc3)cc2c1 ZINC000019522962 556351077 /nfs/dbraw/zinc/35/10/77/556351077.db2.gz FYTROPUAMZBYEV-SANMLTNESA-N 1 2 470.621 5.194 40 0 JKABLO CN1C(=O)c2ccc(-c3ccc(F)cc3F)cc2O[C@H]2C[N@@H+](Cc3ccccc3Cl)C[C@H]21 ZINC000514289962 560031134 /nfs/dbraw/zinc/03/11/34/560031134.db2.gz PUVIRNGKLOJKOD-VWNXMTODSA-N 1 2 454.904 5.003 40 0 biogenic,in-vitro JKABLO CN1C(=O)c2ccc(-c3ccc(F)cc3F)cc2O[C@H]2C[N@H+](Cc3ccccc3Cl)C[C@H]21 ZINC000514289962 560031135 /nfs/dbraw/zinc/03/11/35/560031135.db2.gz PUVIRNGKLOJKOD-VWNXMTODSA-N 1 2 454.904 5.003 40 0 biogenic,in-vitro JKABLO CN1C(=O)c2ccc(-c3ccc(F)cc3F)cc2O[C@H]2C[N@@H+](Cc3cc(-c4ccccc4)no3)C[C@H]21 ZINC000514289220 560033079 /nfs/dbraw/zinc/03/30/79/560033079.db2.gz GFQDUHQNBCSKRF-VPUSJEBWSA-N 1 2 487.506 5.004 40 0 biogenic,in-vitro JKABLO CN1C(=O)c2ccc(-c3ccc(F)cc3F)cc2O[C@H]2C[N@H+](Cc3cc(-c4ccccc4)no3)C[C@H]21 ZINC000514289220 560033081 /nfs/dbraw/zinc/03/30/81/560033081.db2.gz GFQDUHQNBCSKRF-VPUSJEBWSA-N 1 2 487.506 5.004 40 0 biogenic,in-vitro JKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=O)/C=C/c4ccc(-c5ccccc5)o4)cc3n2)cc1 ZINC000057313180 569596615 /nfs/dbraw/zinc/59/66/15/569596615.db2.gz OEXIBJQXOJJYDY-FBMGVBCBSA-N 1 2 491.595 6.487 40 0 JKABLO CC1=C(c2ccccc2)C(c2ccccc2)=C(c2ccccc2)[C@]2(c3ccccc3)C(=O)[C@@H](C)C[N@H+]12 ZINC000073273382 569704411 /nfs/dbraw/zinc/70/44/11/569704411.db2.gz FAKMIAZIJZGHPT-YUYWZBKDSA-N 1 2 467.612 7.459 40 0 JKABLO CC1=C(c2ccccc2)C(c2ccccc2)=C(c2ccccc2)[C@]2(c3ccccc3)C(=O)[C@@H](C)C[N@@H+]12 ZINC000073273382 569704413 /nfs/dbraw/zinc/70/44/13/569704413.db2.gz FAKMIAZIJZGHPT-YUYWZBKDSA-N 1 2 467.612 7.459 40 0 JKABLO O=[S@](c1ccccc1)c1ccc(CO[C@H](Cn2cc[nH+]c2)c2ccc(Cl)cc2Cl)cc1 ZINC000077292581 569705668 /nfs/dbraw/zinc/70/56/68/569705668.db2.gz RQFZUKGPRWEUHC-XJFCNFDWSA-N 1 2 471.409 6.315 40 0 in-vitro JKABLO O=[S@@](c1ccccc1)c1ccc(CO[C@@H](Cn2cc[nH+]c2)c2ccc(Cl)cc2Cl)cc1 ZINC000077292577 569705670 /nfs/dbraw/zinc/70/56/70/569705670.db2.gz RQFZUKGPRWEUHC-QXNWPYRLSA-N 1 2 471.409 6.315 40 0 in-vitro JKABLO COc1ccc([C@@H]2[NH2+][C@@H](c3ccc(OC)cc3)[C@H](c3ccccc3)C(=O)[C@@H]2c2ccccc2)cc1 ZINC000035945775 569732906 /nfs/dbraw/zinc/73/29/06/569732906.db2.gz VSSKKPICNJFIMN-XJYHXZFBSA-N 1 2 463.577 6.226 40 0 JKABLO CC(=O)C(C(C)=O)=c1ccc2c(c1)N1C(c3ccccc3)=C[C@@H](c3ccccc3)[C@@H]3CCCC[C@]31[NH+]=2 ZINC000036003870 569746712 /nfs/dbraw/zinc/74/67/12/569746712.db2.gz POEVUWKCELIZDE-KWHBQZNLSA-N 1 2 474.604 5.180 40 0 JKABLO CC(=O)C(C(C)=O)=c1ccc2c(c1)N1C(c3ccccc3)=C[C@@H](c3ccccc3)[C@H]3CCCC[C@]31[NH+]=2 ZINC000036003868 569746738 /nfs/dbraw/zinc/74/67/38/569746738.db2.gz POEVUWKCELIZDE-PYYUSEHKSA-N 1 2 474.604 5.180 40 0 JKABLO CC(=O)Nc1ccc(Nc2ccc(Nc3[nH+]cnc4c3cnn4-c3ccc(Cl)cc3)cc2)cc1 ZINC000040227547 569823175 /nfs/dbraw/zinc/82/31/75/569823175.db2.gz NACUOPCSHIHALF-UHFFFAOYSA-N 1 2 469.936 5.915 40 0 JKABLO CC[C@H](c1ccc(F)cc1)[N@H+](Cc1nnc2n1c1ccccc1c(=O)n2C)Cc1cccc(F)c1 ZINC000048311879 569845656 /nfs/dbraw/zinc/84/56/56/569845656.db2.gz SWIRGTZMUBRDIT-HSZRJFAPSA-N 1 2 473.527 5.013 40 0 JKABLO CC[C@H](c1ccc(F)cc1)[N@@H+](Cc1nnc2n1c1ccccc1c(=O)n2C)Cc1cccc(F)c1 ZINC000048311879 569845657 /nfs/dbraw/zinc/84/56/57/569845657.db2.gz SWIRGTZMUBRDIT-HSZRJFAPSA-N 1 2 473.527 5.013 40 0 JKABLO CC(=O)[C@H]1[C@H](C)C[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)CC[NH+]5CCOCC5)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000118918210 569863328 /nfs/dbraw/zinc/86/33/28/569863328.db2.gz AGJMWDANXUULDD-FHZFUPAXSA-N 1 2 471.682 5.035 40 0 JKABLO C[NH+](C)c1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccc2)cc1 ZINC000223394501 569909744 /nfs/dbraw/zinc/90/97/44/569909744.db2.gz YBZLLQJRMOXPLY-IZZNHLLZSA-N 1 2 453.615 5.111 40 0 JKABLO COc1ccc(CN2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc([NH+](C)C)cc2)cc1 ZINC000223430852 569911181 /nfs/dbraw/zinc/91/11/81/569911181.db2.gz DZAMDPOJVJPYNP-SXOMAYOGSA-N 1 2 483.641 5.120 40 0 JKABLO COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc([NH+](C)C)cc2)cc1 ZINC000223769592 569922726 /nfs/dbraw/zinc/92/27/26/569922726.db2.gz OBGVJILAHLCFKT-UIOOFZCWSA-N 1 2 469.614 5.124 40 0 JKABLO CCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc([NH+](C)C)cc2)cc1 ZINC000223826570 569924414 /nfs/dbraw/zinc/92/44/14/569924414.db2.gz YJJZSJMJOIEPRO-SVBPBHIXSA-N 1 2 483.641 5.514 40 0 JKABLO CN(C)c1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc([NH+](C)C)cc2)cc1 ZINC000223905456 569926823 /nfs/dbraw/zinc/92/68/23/569926823.db2.gz FLACIWSKONIODM-SVBPBHIXSA-N 1 2 482.657 5.181 40 0 JKABLO CC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2ccc([NH+](C)C)cc2)cc1 ZINC000223983885 569929462 /nfs/dbraw/zinc/92/94/62/569929462.db2.gz JCTXQWSVMOUQED-KAYWLYCHSA-N 1 2 496.640 5.074 40 0 JKABLO Cc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc([NH+](C)C)cc2)c1 ZINC000224242732 569937809 /nfs/dbraw/zinc/93/78/09/569937809.db2.gz YWKIKHHRBQTOSE-UIOOFZCWSA-N 1 2 453.615 5.424 40 0 JKABLO COc1ccc(C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)cc1COc1cccc2ccccc21 ZINC000224308368 569939998 /nfs/dbraw/zinc/93/99/98/569939998.db2.gz HWGOOVLSNVRZMM-DHZHZOJOSA-N 1 2 492.619 5.899 40 0 JKABLO Cc1cc(C)cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc([NH+](C)C)cc2)c1 ZINC000224310675 569940064 /nfs/dbraw/zinc/94/00/64/569940064.db2.gz LTEYEPSQPGZEOR-SVBPBHIXSA-N 1 2 467.642 5.732 40 0 JKABLO CC(C)c1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2ccc([NH+](C)C)cc2)cc1 ZINC000224375455 569942474 /nfs/dbraw/zinc/94/24/74/569942474.db2.gz PASDNYARETWSGD-VSGBNLITSA-N 1 2 481.669 6.239 40 0 JKABLO C[NH+](C)c1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)cc1 ZINC000224406913 569943640 /nfs/dbraw/zinc/94/36/40/569943640.db2.gz JVDUONYHHDRYIP-JWQCQUIFSA-N 1 2 457.578 5.255 40 0 JKABLO CCOc1ccc(C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)cc1COc1ccc(C)cc1 ZINC000224473461 569945506 /nfs/dbraw/zinc/94/55/06/569945506.db2.gz NVGWMKGTURABAP-JXMROGBWSA-N 1 2 470.613 5.444 40 0 JKABLO COc1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1ccc([NH+](C)C)cc1 ZINC000224575589 569949159 /nfs/dbraw/zinc/94/91/59/569949159.db2.gz BQJJKNBCCBLXDR-CLJLJLNGSA-N 1 2 469.614 5.124 40 0 JKABLO COc1ccc(OC)c(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc([NH+](C)C)cc2)c1 ZINC000224846828 569960183 /nfs/dbraw/zinc/96/01/83/569960183.db2.gz CKSULVKBLYVXDR-SXOMAYOGSA-N 1 2 499.640 5.133 40 0 JKABLO COc1ccc(-c2cnc(-c3ccccc3C(=O)N3CC[NH+](C/C=C/c4ccccc4)CC3)o2)cc1 ZINC000224914571 569963256 /nfs/dbraw/zinc/96/32/56/569963256.db2.gz JQMSCKUDFNHAJY-JXMROGBWSA-N 1 2 479.580 5.488 40 0 JKABLO Cc1cc(NC(=O)COC(=O)C[NH+](Cc2ccccc2)Cc2ccccc2)cc(C)c1Br ZINC000408667038 570005031 /nfs/dbraw/zinc/00/50/31/570005031.db2.gz IVXSFJOZPXWHTH-UHFFFAOYSA-N 1 2 495.417 5.250 40 0 JKABLO CCc1cc(Br)ccc1NC(=O)COC(=O)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000408669224 570006321 /nfs/dbraw/zinc/00/63/21/570006321.db2.gz NMDWVECWSOGFFR-UHFFFAOYSA-N 1 2 495.417 5.196 40 0 JKABLO Cc1cc(NC(=O)COC(=O)C[NH+](Cc2ccccc2)Cc2ccccc2)c(C)cc1Br ZINC000408672410 570008210 /nfs/dbraw/zinc/00/82/10/570008210.db2.gz WKGNVHAPHBJLTO-UHFFFAOYSA-N 1 2 495.417 5.250 40 0 JKABLO CCn1cc(C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c(=O)c2cc(Cl)ccc21 ZINC000408713384 570025477 /nfs/dbraw/zinc/02/54/77/570025477.db2.gz VZASBIGUMHLYQG-UHFFFAOYSA-N 1 2 486.015 5.222 40 0 JKABLO C=C1[NH+]=C(SCC(=O)Nc2ccc(C)cc2)N[C@@H](c2cccc(Cl)c2Cl)C1C(=O)OCC ZINC000408989480 570093490 /nfs/dbraw/zinc/09/34/90/570093490.db2.gz KURNUUHZWJXOBP-NRFANRHFSA-N 1 2 492.428 5.511 40 0 JKABLO C=C1[NH+]=C(SCC(=O)Nc2ccccc2C)N[C@@H](c2cccc(Cl)c2Cl)C1C(=O)OCC ZINC000408990137 570093618 /nfs/dbraw/zinc/09/36/18/570093618.db2.gz MUAOMVOSSZWUMB-NRFANRHFSA-N 1 2 492.428 5.511 40 0 JKABLO C=C1[NH+]=C(SCc2ccc(Cl)cc2)N[C@H](c2cccc(Cl)c2Cl)C1C(=O)OCC ZINC000408992561 570094441 /nfs/dbraw/zinc/09/44/41/570094441.db2.gz UCRBBFRQPSHEHD-LJQANCHMSA-N 1 2 469.821 6.418 40 0 JKABLO C=C1[NH+]=C(SCc2cccc3ccccc32)N[C@@H](c2cccc(Cl)c2Cl)C1C(=O)OCC ZINC000408993718 570094816 /nfs/dbraw/zinc/09/48/16/570094816.db2.gz XFAKHLLKIPUARN-QHCPKHFHSA-N 1 2 485.436 6.917 40 0 JKABLO Cc1ccc2cc(C[N@@H+](C[C@H]3CCCO3)[C@H](c3nnnn3C3CCCCC3)C(C)C)c(=O)[nH]c2c1 ZINC000253500403 570101824 /nfs/dbraw/zinc/10/18/24/570101824.db2.gz KFVXNDSBXOYGSF-NOZRDPDXSA-N 1 2 478.641 5.119 40 0 JKABLO Cc1ccc2cc(C[N@H+](C[C@H]3CCCO3)[C@H](c3nnnn3C3CCCCC3)C(C)C)c(=O)[nH]c2c1 ZINC000253500403 570101826 /nfs/dbraw/zinc/10/18/26/570101826.db2.gz KFVXNDSBXOYGSF-NOZRDPDXSA-N 1 2 478.641 5.119 40 0 JKABLO Cc1cc(C)c2cc(C[N@@H+](C[C@H]3CCCO3)[C@H](c3nnnn3C3CCCCC3)C(C)C)c(=O)[nH]c2c1 ZINC000253500402 570101829 /nfs/dbraw/zinc/10/18/29/570101829.db2.gz KAJRDQYTUXNHJB-BVAGGSTKSA-N 1 2 492.668 5.427 40 0 JKABLO Cc1cc(C)c2cc(C[N@H+](C[C@H]3CCCO3)[C@H](c3nnnn3C3CCCCC3)C(C)C)c(=O)[nH]c2c1 ZINC000253500402 570101831 /nfs/dbraw/zinc/10/18/31/570101831.db2.gz KAJRDQYTUXNHJB-BVAGGSTKSA-N 1 2 492.668 5.427 40 0 JKABLO CC[C@H](c1nnnn1C1CCCCC1)[N@@H+](Cc1cc2ccc(C)c(C)c2[nH]c1=O)C[C@H]1CCCO1 ZINC000253500457 570102051 /nfs/dbraw/zinc/10/20/51/570102051.db2.gz PDQMPBGPOXUIFA-DNQXCXABSA-N 1 2 478.641 5.181 40 0 JKABLO CC[C@H](c1nnnn1C1CCCCC1)[N@H+](Cc1cc2ccc(C)c(C)c2[nH]c1=O)C[C@H]1CCCO1 ZINC000253500457 570102052 /nfs/dbraw/zinc/10/20/52/570102052.db2.gz PDQMPBGPOXUIFA-DNQXCXABSA-N 1 2 478.641 5.181 40 0 JKABLO CCC[C@H](c1nnnn1C1CCCCC1)[N@@H+](Cc1cc2cc(C)c(C)cc2[nH]c1=O)C[C@H]1CCCO1 ZINC000253500590 570102236 /nfs/dbraw/zinc/10/22/36/570102236.db2.gz XVYMUPJACHGULJ-AOYPEHQESA-N 1 2 492.668 5.571 40 0 JKABLO CCC[C@H](c1nnnn1C1CCCCC1)[N@H+](Cc1cc2cc(C)c(C)cc2[nH]c1=O)C[C@H]1CCCO1 ZINC000253500590 570102237 /nfs/dbraw/zinc/10/22/37/570102237.db2.gz XVYMUPJACHGULJ-AOYPEHQESA-N 1 2 492.668 5.571 40 0 JKABLO O=C(OCc1ccccc1)N1C[C@@H](O)[C@H]([N@H+](Cc2cccc(Cl)c2)Cc2ccccc2Cl)C1 ZINC000257200242 570107895 /nfs/dbraw/zinc/10/78/95/570107895.db2.gz ACOJOZHJDWOVPH-JWQCQUIFSA-N 1 2 485.411 5.378 40 0 JKABLO O=C(OCc1ccccc1)N1C[C@@H](O)[C@H]([N@@H+](Cc2cccc(Cl)c2)Cc2ccccc2Cl)C1 ZINC000257200242 570107897 /nfs/dbraw/zinc/10/78/97/570107897.db2.gz ACOJOZHJDWOVPH-JWQCQUIFSA-N 1 2 485.411 5.378 40 0 JKABLO O=C(c1ccc(C[NH+]2CCOCC2)cc1)N1CCCC[C@H]1c1n[nH]cc1-c1ccc(C(F)(F)F)cc1 ZINC000257204129 570109187 /nfs/dbraw/zinc/10/91/87/570109187.db2.gz ATDILOMCEXAQML-DEOSSOPVSA-N 1 2 498.549 5.295 40 0 JKABLO Cc1cc(Oc2ccccc2C)nc(C2CCN(C(=O)c3cccc(Cn4cc[nH+]c4)c3)CC2)n1 ZINC000257209705 570110945 /nfs/dbraw/zinc/11/09/45/570110945.db2.gz BROXBBFQJVCTSP-UHFFFAOYSA-N 1 2 467.573 5.150 40 0 JKABLO O=C(c1ccccc1Cn1cc[nH+]c1)N1CCC[C@@H](c2cccc(-c3cccc(Cl)c3)n2)C1 ZINC000257221205 570114381 /nfs/dbraw/zinc/11/43/81/570114381.db2.gz DNYQDKOOHORQAW-JOCHJYFZSA-N 1 2 456.977 5.667 40 0 JKABLO Cc1cc(Oc2ccccc2F)nc([C@@H]2CCCCN2C(=O)c2ccccc2Cn2cc[nH+]c2)n1 ZINC000257229582 570116959 /nfs/dbraw/zinc/11/69/59/570116959.db2.gz FYQMKPYVUUOMHY-QHCPKHFHSA-N 1 2 471.536 5.329 40 0 JKABLO Cc1cc(Oc2ccccc2F)nc([C@H]2CCCCN2C(=O)c2ccccc2Cn2cc[nH+]c2)n1 ZINC000257229581 570116974 /nfs/dbraw/zinc/11/69/74/570116974.db2.gz FYQMKPYVUUOMHY-HSZRJFAPSA-N 1 2 471.536 5.329 40 0 JKABLO Cc1[nH+]c2ccccc2n1CCC(=O)N1CCC2(CC1)CO[C@@H]1c3ccccc3OC(C)(C)[C@H]1C2 ZINC000257230550 570117081 /nfs/dbraw/zinc/11/70/81/570117081.db2.gz GCVHUPHHMOELNM-WXVAWEFUSA-N 1 2 473.617 5.292 40 0 JKABLO COc1ccccc1-c1cccc([C@@H]2CCCN(C(=O)c3ccccc3Cn3cc[nH+]c3)C2)n1 ZINC000257234148 570118311 /nfs/dbraw/zinc/11/83/11/570118311.db2.gz GSJPBLVFEVMJNR-JOCHJYFZSA-N 1 2 452.558 5.022 40 0 JKABLO COc1ccccc1-c1cccc([C@H]2CCCN(C(=O)c3ccccc3Cn3cc[nH+]c3)C2)n1 ZINC000257234149 570118319 /nfs/dbraw/zinc/11/83/19/570118319.db2.gz GSJPBLVFEVMJNR-QFIPXVFZSA-N 1 2 452.558 5.022 40 0 JKABLO Cc1cc(Oc2ccc(F)cc2)nc([C@H]2CCCCN2C(=O)c2cccc(Cn3cc[nH+]c3)c2)n1 ZINC000257257840 570125527 /nfs/dbraw/zinc/12/55/27/570125527.db2.gz KRHOEWFRXLJFMB-XMMPIXPASA-N 1 2 471.536 5.329 40 0 JKABLO O=C(OCc1ccccc1)N1C[C@@H](O)[C@H]([N@H+](Cc2ccc(Cl)cc2)Cc2cc(F)ccc2F)C1 ZINC000257283546 570133676 /nfs/dbraw/zinc/13/36/76/570133676.db2.gz OYUMJAHZMYFBDS-JWQCQUIFSA-N 1 2 486.946 5.002 40 0 JKABLO O=C(OCc1ccccc1)N1C[C@@H](O)[C@H]([N@@H+](Cc2ccc(Cl)cc2)Cc2cc(F)ccc2F)C1 ZINC000257283546 570133677 /nfs/dbraw/zinc/13/36/77/570133677.db2.gz OYUMJAHZMYFBDS-JWQCQUIFSA-N 1 2 486.946 5.002 40 0 JKABLO Cc1cc(Oc2ccccc2C)nc([C@@H]2CCCN(C(=O)c3ccccc3Cn3cc[nH+]c3)C2)n1 ZINC000257284159 570133945 /nfs/dbraw/zinc/13/39/45/570133945.db2.gz PBKUNNCUVRYGJO-HSZRJFAPSA-N 1 2 467.573 5.150 40 0 JKABLO CCOc1cccc2c1OC(C)(C)[C@@H]1C[C@@H]3[C@@H](CCC[N@@H+]3CC(=O)Nc3ccc(C(C)=O)cc3)O[C@@H]21 ZINC000257292515 570136247 /nfs/dbraw/zinc/13/62/47/570136247.db2.gz QLXJYWGXKQQMST-UDFVPUEDSA-N 1 2 492.616 5.008 40 0 JKABLO CCOc1cccc2c1OC(C)(C)[C@@H]1C[C@@H]3[C@@H](CCC[N@H+]3CC(=O)Nc3ccc(C(C)=O)cc3)O[C@@H]21 ZINC000257292515 570136249 /nfs/dbraw/zinc/13/62/49/570136249.db2.gz QLXJYWGXKQQMST-UDFVPUEDSA-N 1 2 492.616 5.008 40 0 JKABLO Cc1sc(NC(=O)C[N@H+]2CC[C@@](O)(CC(C)C)[C@@H](Oc3ccccc3)C2)nc1-c1ccc(F)cc1 ZINC000257294414 570136814 /nfs/dbraw/zinc/13/68/14/570136814.db2.gz QUAMYIFPHFTBNL-WNCULLNHSA-N 1 2 497.636 5.127 40 0 JKABLO Cc1sc(NC(=O)C[N@@H+]2CC[C@@](O)(CC(C)C)[C@@H](Oc3ccccc3)C2)nc1-c1ccc(F)cc1 ZINC000257294414 570136815 /nfs/dbraw/zinc/13/68/15/570136815.db2.gz QUAMYIFPHFTBNL-WNCULLNHSA-N 1 2 497.636 5.127 40 0 JKABLO Cc1cc(OC[C@]2(CC(=O)N(C)Cc3ccccc3)CCC[N@H+](Cc3nccs3)C2)ccc1Cl ZINC000257302664 570139253 /nfs/dbraw/zinc/13/92/53/570139253.db2.gz SDTUGYKNYNZXAD-MHZLTWQESA-N 1 2 498.092 5.815 40 0 JKABLO Cc1cc(OC[C@]2(CC(=O)N(C)Cc3ccccc3)CCC[N@@H+](Cc3nccs3)C2)ccc1Cl ZINC000257302664 570139254 /nfs/dbraw/zinc/13/92/54/570139254.db2.gz SDTUGYKNYNZXAD-MHZLTWQESA-N 1 2 498.092 5.815 40 0 JKABLO CCCCC[C@]1(O)CC[N@H+](CC(=O)Nc2ccccc2C(F)(F)F)C[C@@H]1Oc1ccccc1 ZINC000257312775 570142458 /nfs/dbraw/zinc/14/24/58/570142458.db2.gz UPLLPTPHIYMZGN-UPVQGACJSA-N 1 2 464.528 5.109 40 0 JKABLO CCCCC[C@]1(O)CC[N@@H+](CC(=O)Nc2ccccc2C(F)(F)F)C[C@@H]1Oc1ccccc1 ZINC000257312775 570142459 /nfs/dbraw/zinc/14/24/59/570142459.db2.gz UPLLPTPHIYMZGN-UPVQGACJSA-N 1 2 464.528 5.109 40 0 JKABLO CCCCC[C@]1(O)CC[N@H+](CC(=O)Nc2ccc(Oc3ccccc3)cc2)C[C@@H]1Oc1ccccc1 ZINC000257328805 570147066 /nfs/dbraw/zinc/14/70/66/570147066.db2.gz XHEXWNZEQHINIU-JDXGNMNLSA-N 1 2 488.628 5.882 40 0 JKABLO CCCCC[C@]1(O)CC[N@@H+](CC(=O)Nc2ccc(Oc3ccccc3)cc2)C[C@@H]1Oc1ccccc1 ZINC000257328805 570147067 /nfs/dbraw/zinc/14/70/67/570147067.db2.gz XHEXWNZEQHINIU-JDXGNMNLSA-N 1 2 488.628 5.882 40 0 JKABLO CCC(=O)N1c2ccccc2-c2c(=O)[nH]c(SC)n[n+]2[C@@H]1c1ccc(-c2ccccc2Cl)o1 ZINC000261362924 570167747 /nfs/dbraw/zinc/16/77/47/570167747.db2.gz FKFNYQBTQJTNAC-HSZRJFAPSA-O 1 2 479.969 5.076 40 0 JKABLO CCCC(=O)N1c2ccccc2-c2c(=O)[nH]c(SC)n[n+]2[C@@H]1c1c(OCC)ccc2ccccc21 ZINC000261364699 570168672 /nfs/dbraw/zinc/16/86/72/570168672.db2.gz NAVKPRSJRDPQQJ-AREMUKBSSA-O 1 2 487.605 5.104 40 0 JKABLO CCCCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@H]2C=Cc1cccs1 ZINC000261364748 570168805 /nfs/dbraw/zinc/16/88/05/570168805.db2.gz NLIFWZLWZRILFI-DRUFCSCSSA-O 1 2 453.613 5.059 40 0 JKABLO CSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@H]2c1ccc(-c2cccc(C(F)(F)F)c2)o1 ZINC000261365465 570169119 /nfs/dbraw/zinc/16/91/19/570169119.db2.gz SMTWNEKKSKLTKJ-JOCHJYFZSA-O 1 2 499.494 5.051 40 0 JKABLO O=C(NCc1cccc(C(F)(F)F)c1)c1nc([C@H]2CCC[N@@H+]2Cc2ccccn2)n2ccccc12 ZINC000306144725 570178689 /nfs/dbraw/zinc/17/86/89/570178689.db2.gz ZNFFBJCMMLLOQY-JOCHJYFZSA-N 1 2 479.506 5.015 40 0 JKABLO O=C(NCc1cccc(C(F)(F)F)c1)c1nc([C@H]2CCC[N@H+]2Cc2ccccn2)n2ccccc12 ZINC000306144725 570178690 /nfs/dbraw/zinc/17/86/90/570178690.db2.gz ZNFFBJCMMLLOQY-JOCHJYFZSA-N 1 2 479.506 5.015 40 0 JKABLO Cc1cccc(CNc2cc(-c3cccc(OC(F)(F)F)c3)[nH+]c(NC3CCCCC3)n2)c1 ZINC000328959858 570179447 /nfs/dbraw/zinc/17/94/47/570179447.db2.gz AVHSJRMTSKNLEI-UHFFFAOYSA-N 1 2 456.512 5.551 40 0 JKABLO CC(C)(C)Nc1nc(NCc2cc(F)cc(F)c2)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000328961587 570179573 /nfs/dbraw/zinc/17/95/73/570179573.db2.gz BEBRXZBNEHJQFT-UHFFFAOYSA-N 1 2 452.427 6.143 40 0 JKABLO CCNc1nc(Nc2ccc(Br)cc2C)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000328966314 570179728 /nfs/dbraw/zinc/17/97/28/570179728.db2.gz CLJPVBFTHJWIIK-UHFFFAOYSA-N 1 2 467.289 6.289 40 0 JKABLO CC(C)[C@H](CO)Nc1nc(Nc2ccc(C(F)(F)F)cc2Br)cc(-c2ccccc2)[nH+]1 ZINC000328977363 570180311 /nfs/dbraw/zinc/18/03/11/570180311.db2.gz FTNJPIJBMDHKBW-IBGZPJMESA-N 1 2 495.343 6.097 40 0 JKABLO CC[C@@H](C)Nc1nc(Nc2ccc(C(F)(F)F)cc2C(F)(F)F)cc(-c2ccccc2)[nH+]1 ZINC000328989169 570180741 /nfs/dbraw/zinc/18/07/41/570180741.db2.gz IJNZIXFNEPTCMZ-CYBMUJFWSA-N 1 2 454.418 5.979 40 0 JKABLO FC(F)(F)Oc1ccc2c(c1)CCN(c1cc(Nc3cccc(Cl)c3)nc(C3CC3)[nH+]1)C2 ZINC000329007216 570181330 /nfs/dbraw/zinc/18/13/30/570181330.db2.gz LJBRRERRCABMNT-UHFFFAOYSA-N 1 2 460.887 6.212 40 0 JKABLO FC(F)(F)Oc1ccc2c(c1)CCN(c1cc(Nc3cccc(Cl)c3)[nH+]c(C3CC3)n1)C2 ZINC000329007216 570181331 /nfs/dbraw/zinc/18/13/31/570181331.db2.gz LJBRRERRCABMNT-UHFFFAOYSA-N 1 2 460.887 6.212 40 0 JKABLO Fc1cccc(CNc2cc(-c3cccc(OC(F)(F)F)c3)[nH+]c(NC3CCCCC3)n2)c1 ZINC000329018999 570181901 /nfs/dbraw/zinc/18/19/01/570181901.db2.gz NUPVVHWRXWMCGI-UHFFFAOYSA-N 1 2 460.475 5.382 40 0 JKABLO CC(C)(C)Nc1nc(NCc2cccc(Cl)c2)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000329028579 570182337 /nfs/dbraw/zinc/18/23/37/570182337.db2.gz PVVPFYHHYSQHOU-UHFFFAOYSA-N 1 2 450.892 6.518 40 0 JKABLO FC(F)(F)Oc1ccc2c(c1)CN(c1cc(Nc3cccc(Cl)c3)nc(C3CC3)[nH+]1)CC2 ZINC000329033722 570182481 /nfs/dbraw/zinc/18/24/81/570182481.db2.gz QVFVCPDPULJHBL-UHFFFAOYSA-N 1 2 460.887 6.212 40 0 JKABLO FC(F)(F)Oc1ccc2c(c1)CN(c1cc(Nc3cccc(Cl)c3)[nH+]c(C3CC3)n1)CC2 ZINC000329033722 570182483 /nfs/dbraw/zinc/18/24/83/570182483.db2.gz QVFVCPDPULJHBL-UHFFFAOYSA-N 1 2 460.887 6.212 40 0 JKABLO CC(C)[C@H](CO)Nc1nc(NCc2cccc(Cl)c2)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000329036410 570182666 /nfs/dbraw/zinc/18/26/66/570182666.db2.gz RIOVSMCLGZXJTP-FQEVSTJZSA-N 1 2 480.918 5.737 40 0 JKABLO FC(F)(F)Oc1ccc(Nc2cc(-c3ccccc3)[nH+]c(NC3CCCCC3)n2)cc1Cl ZINC000329051395 570183029 /nfs/dbraw/zinc/18/30/29/570183029.db2.gz UWCJJHJKDNMTHG-UHFFFAOYSA-N 1 2 462.903 6.028 40 0 JKABLO Cc1cc(Br)cc(C)c1Nc1cc(-c2ccccc2)[nH+]c(N[C@@H](CO)C(C)C)n1 ZINC000329052681 570183125 /nfs/dbraw/zinc/18/31/25/570183125.db2.gz VEIMPKAIMXRAGY-FQEVSTJZSA-N 1 2 455.400 5.695 40 0 JKABLO CC(C)[C@@H](CO)Nc1nc(Nc2ccc(C(F)(F)F)cc2C(F)(F)F)cc(-c2ccccc2)[nH+]1 ZINC000329052533 570183151 /nfs/dbraw/zinc/18/31/51/570183151.db2.gz VCBDIMOINUBQCT-LJQANCHMSA-N 1 2 484.444 6.354 40 0 JKABLO Cc1cc(Nc2cc(-c3cccc(OC(F)(F)F)c3)[nH+]c(NCCCO)n2)ccc1C(C)C ZINC000329053253 570183181 /nfs/dbraw/zinc/18/31/81/570183181.db2.gz VFDIXQPNXBRIDI-UHFFFAOYSA-N 1 2 460.500 6.012 40 0 JKABLO CC(C)(C)Nc1nc(Nc2ccc(C(F)(F)F)cc2C(F)(F)F)cc(-c2ccccc2)[nH+]1 ZINC000329070300 570183894 /nfs/dbraw/zinc/18/38/94/570183894.db2.gz ZFZGQZNXMVGLMM-UHFFFAOYSA-N 1 2 454.418 7.135 40 0 JKABLO COC(=O)c1c(NC(=O)c2ccc(CSc3ccc(C)cc3)cc2)sc2c1CC[N@H+](C)C2 ZINC000408564319 570202476 /nfs/dbraw/zinc/20/24/76/570202476.db2.gz VSWAYRPDPOQLNJ-UHFFFAOYSA-N 1 2 466.628 5.376 40 0 JKABLO COC(=O)c1c(NC(=O)c2ccc(CSc3ccc(C)cc3)cc2)sc2c1CC[N@@H+](C)C2 ZINC000408564319 570202477 /nfs/dbraw/zinc/20/24/77/570202477.db2.gz VSWAYRPDPOQLNJ-UHFFFAOYSA-N 1 2 466.628 5.376 40 0 JKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=O)/C=C/c4ccc(OC)cc4)cc3n2)cc1 ZINC000020611036 195184521 /nfs/dbraw/zinc/18/45/21/195184521.db2.gz WNVONDISCNTXCI-CXUHLZMHSA-N 1 2 455.562 5.236 40 0 JKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=O)c4cncc(Br)c4)cc3n2)c(C)c1 ZINC000020611077 195184551 /nfs/dbraw/zinc/18/45/51/195184551.db2.gz CNBJCDRNKNPTLD-UHFFFAOYSA-N 1 2 493.409 5.293 40 0 JKABLO CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@@H](c2ccc(Cl)cc2Cl)n2c3ccccc3[nH+]c2N1 ZINC000020797508 195225950 /nfs/dbraw/zinc/22/59/50/195225950.db2.gz WXKXJHGMCFAPIW-JOCHJYFZSA-N 1 2 483.786 6.924 40 0 JKABLO COc1ccc(OC)c([C@@H]2C(C(=O)Nc3ccc(Cl)cc3)=C(C)Nc3[nH+]c4ccccc4n32)c1 ZINC000020797534 195226079 /nfs/dbraw/zinc/22/60/79/195226079.db2.gz XDYJTJRCENDWNV-XMMPIXPASA-N 1 2 474.948 5.635 40 0 JKABLO CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@H](c2ccc(Cl)cc2Cl)n2c3ccccc3[nH+]c2N1 ZINC000020797511 195226161 /nfs/dbraw/zinc/22/61/61/195226161.db2.gz WXKXJHGMCFAPIW-QFIPXVFZSA-N 1 2 483.786 6.924 40 0 JKABLO CCOc1cc([C@H]2C(C(=O)Nc3ccc(F)cc3)=C(C)Nc3[nH+]c4ccccc4n32)ccc1O ZINC000020969993 195257477 /nfs/dbraw/zinc/25/74/77/195257477.db2.gz HHJGYHBUJCREBI-DEOSSOPVSA-N 1 2 458.493 5.207 40 0 JKABLO COc1ccc([C@H]2C(C(=O)Nc3cccc(Cl)c3)=C(C)Nc3[nH+]c4ccccc4n32)cc1OC ZINC000020970449 195257664 /nfs/dbraw/zinc/25/76/64/195257664.db2.gz CLEQPSNNVDAORG-DEOSSOPVSA-N 1 2 474.948 5.635 40 0 JKABLO COc1ccc(NC(=O)C2=C(C)Nc3[nH+]c4ccccc4n3[C@H]2c2ccc(Cl)cc2Cl)cc1 ZINC000020970290 195257817 /nfs/dbraw/zinc/25/78/17/195257817.db2.gz VKULXECAMIGQBG-QHCPKHFHSA-N 1 2 479.367 6.279 40 0 JKABLO CC[N@H+](Cc1ccccc1)[C@H](c1nnnn1C1CCCCC1)c1cc2cc(C)cc(C)c2[nH]c1=O ZINC000057589730 195351749 /nfs/dbraw/zinc/35/17/49/195351749.db2.gz DMULUOALXXKQDC-SANMLTNESA-N 1 2 470.621 5.248 40 0 JKABLO CC[N@@H+](Cc1ccccc1)[C@H](c1nnnn1C1CCCCC1)c1cc2cc(C)cc(C)c2[nH]c1=O ZINC000057589730 195351752 /nfs/dbraw/zinc/35/17/52/195351752.db2.gz DMULUOALXXKQDC-SANMLTNESA-N 1 2 470.621 5.248 40 0 JKABLO CCc1ccc2[nH]c(=O)c(C[N@@H+](Cc3ccc(C)cc3)[C@@H](CC)c3nnnn3C(C)(C)CC)cc2c1 ZINC000057640650 195354191 /nfs/dbraw/zinc/35/41/91/195354191.db2.gz GIRALDRALDVPBT-SANMLTNESA-N 1 2 486.664 5.684 40 0 JKABLO CCc1ccc2[nH]c(=O)c(C[N@H+](Cc3ccc(C)cc3)[C@@H](CC)c3nnnn3C(C)(C)CC)cc2c1 ZINC000057640650 195354193 /nfs/dbraw/zinc/35/41/93/195354193.db2.gz GIRALDRALDVPBT-SANMLTNESA-N 1 2 486.664 5.684 40 0 JKABLO CC[C@@H](c1nnnn1C1CCCCC1)[N@H+](Cc1ccccc1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000057640718 195354560 /nfs/dbraw/zinc/35/45/60/195354560.db2.gz WLPLKJZQNJYJLT-SANMLTNESA-N 1 2 470.621 5.482 40 0 JKABLO CC[C@@H](c1nnnn1C1CCCCC1)[N@@H+](Cc1ccccc1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000057640718 195354563 /nfs/dbraw/zinc/35/45/63/195354563.db2.gz WLPLKJZQNJYJLT-SANMLTNESA-N 1 2 470.621 5.482 40 0 JKABLO CCc1ccc2[nH]c(=O)c(C[N@@H+](Cc3ccc(C)cc3)[C@H](CC)c3nnnn3C3CCCC3)cc2c1 ZINC000057640667 195354638 /nfs/dbraw/zinc/35/46/38/195354638.db2.gz JUZIUSDSGVNDCX-HHHXNRCGSA-N 1 2 484.648 5.654 40 0 JKABLO CCc1ccc2[nH]c(=O)c(C[N@H+](Cc3ccc(C)cc3)[C@H](CC)c3nnnn3C3CCCC3)cc2c1 ZINC000057640667 195354641 /nfs/dbraw/zinc/35/46/41/195354641.db2.gz JUZIUSDSGVNDCX-HHHXNRCGSA-N 1 2 484.648 5.654 40 0 JKABLO CC[C@H](c1nnnn1C1CCCC1)[N@H+](Cc1ccc(OC)cc1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000057640708 195354647 /nfs/dbraw/zinc/35/46/47/195354647.db2.gz YWTQSWNJYOJRBQ-AREMUKBSSA-N 1 2 486.620 5.100 40 0 JKABLO CC[C@H](c1nnnn1C1CCCC1)[N@@H+](Cc1ccc(OC)cc1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000057640708 195354649 /nfs/dbraw/zinc/35/46/49/195354649.db2.gz YWTQSWNJYOJRBQ-AREMUKBSSA-N 1 2 486.620 5.100 40 0 JKABLO CCc1ccc2[nH]c(=O)c(C[N@@H+](Cc3ccc(C)cc3)[C@@H](CC)c3nnnn3C3CCCCC3)cc2c1 ZINC000057640671 195354744 /nfs/dbraw/zinc/35/47/44/195354744.db2.gz YPYADHHCLUWNAV-NDEPHWFRSA-N 1 2 498.675 6.044 40 0 JKABLO CCc1ccc2[nH]c(=O)c(C[N@H+](Cc3ccc(C)cc3)[C@@H](CC)c3nnnn3C3CCCCC3)cc2c1 ZINC000057640671 195354746 /nfs/dbraw/zinc/35/47/46/195354746.db2.gz YPYADHHCLUWNAV-NDEPHWFRSA-N 1 2 498.675 6.044 40 0 JKABLO CC[C@H](c1nnnn1C1CCCCC1)[N@H+](Cc1ccccc1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000057640922 195355150 /nfs/dbraw/zinc/35/51/50/195355150.db2.gz IXNWIMWNTBLIRJ-AREMUKBSSA-N 1 2 486.620 5.182 40 0 JKABLO CC[C@H](c1nnnn1C1CCCCC1)[N@@H+](Cc1ccccc1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000057640922 195355153 /nfs/dbraw/zinc/35/51/53/195355153.db2.gz IXNWIMWNTBLIRJ-AREMUKBSSA-N 1 2 486.620 5.182 40 0 JKABLO CC[C@H](c1nnnn1C1CCCC1)[N@H+](Cc1ccccc1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000057641449 195355424 /nfs/dbraw/zinc/35/54/24/195355424.db2.gz NGTYLXGMXIZCBG-AREMUKBSSA-N 1 2 470.621 5.400 40 0 JKABLO CC[C@H](c1nnnn1C1CCCC1)[N@@H+](Cc1ccccc1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000057641449 195355426 /nfs/dbraw/zinc/35/54/26/195355426.db2.gz NGTYLXGMXIZCBG-AREMUKBSSA-N 1 2 470.621 5.400 40 0 JKABLO CC[C@H](c1nnnn1C(C)(C)CC)[N@H+](Cc1ccccc1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000057641427 195355432 /nfs/dbraw/zinc/35/54/32/195355432.db2.gz FYMFBHCBRKRCSB-RUZDIDTESA-N 1 2 472.637 5.430 40 0 JKABLO CC[C@H](c1nnnn1C(C)(C)CC)[N@@H+](Cc1ccccc1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000057641427 195355433 /nfs/dbraw/zinc/35/54/33/195355433.db2.gz FYMFBHCBRKRCSB-RUZDIDTESA-N 1 2 472.637 5.430 40 0 JKABLO CC[C@@H](c1nnnn1C1CCCCC1)[N@H+](Cc1ccccc1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000057641454 195355536 /nfs/dbraw/zinc/35/55/36/195355536.db2.gz XHCXPPQLBQZKGX-MHZLTWQESA-N 1 2 484.648 5.790 40 0 JKABLO CC[C@@H](c1nnnn1C1CCCCC1)[N@@H+](Cc1ccccc1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000057641454 195355539 /nfs/dbraw/zinc/35/55/39/195355539.db2.gz XHCXPPQLBQZKGX-MHZLTWQESA-N 1 2 484.648 5.790 40 0 JKABLO CC[C@H](c1nnnn1C(C)(C)CC)[N@H+](Cc1ccccc1)Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000057641986 195355950 /nfs/dbraw/zinc/35/59/50/195355950.db2.gz CMTNUQFSILISHU-XMMPIXPASA-N 1 2 472.637 5.430 40 0 JKABLO CC[C@H](c1nnnn1C(C)(C)CC)[N@@H+](Cc1ccccc1)Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000057641986 195355952 /nfs/dbraw/zinc/35/59/52/195355952.db2.gz CMTNUQFSILISHU-XMMPIXPASA-N 1 2 472.637 5.430 40 0 JKABLO CC[C@@H](c1nnnn1C1CCCC1)[N@H+](Cc1ccc(C)cc1)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000057642369 195356362 /nfs/dbraw/zinc/35/63/62/195356362.db2.gz XASJYQWONSTRMD-SANMLTNESA-N 1 2 484.648 5.708 40 0 JKABLO CC[C@@H](c1nnnn1C1CCCC1)[N@@H+](Cc1ccc(C)cc1)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000057642369 195356365 /nfs/dbraw/zinc/35/63/65/195356365.db2.gz XASJYQWONSTRMD-SANMLTNESA-N 1 2 484.648 5.708 40 0 JKABLO CC[C@H](c1nnnn1Cc1ccccc1)[N@H+](Cc1ccccc1)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000057642289 195356478 /nfs/dbraw/zinc/35/64/78/195356478.db2.gz JWQFUAIWIQENGS-HHHXNRCGSA-N 1 2 492.627 5.333 40 0 JKABLO CC[C@H](c1nnnn1Cc1ccccc1)[N@@H+](Cc1ccccc1)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000057642289 195356479 /nfs/dbraw/zinc/35/64/79/195356479.db2.gz JWQFUAIWIQENGS-HHHXNRCGSA-N 1 2 492.627 5.333 40 0 JKABLO CC[C@@H](c1nnnn1Cc1ccccc1)[N@H+](Cc1ccccc1)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000057642285 195356495 /nfs/dbraw/zinc/35/64/95/195356495.db2.gz JWQFUAIWIQENGS-MHZLTWQESA-N 1 2 492.627 5.333 40 0 JKABLO CC[C@@H](c1nnnn1Cc1ccccc1)[N@@H+](Cc1ccccc1)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000057642285 195356498 /nfs/dbraw/zinc/35/64/98/195356498.db2.gz JWQFUAIWIQENGS-MHZLTWQESA-N 1 2 492.627 5.333 40 0 JKABLO Clc1ccc(C[NH+]2CCN(c3ncnc4c(-c5ccc(Cl)cc5)nsc43)CC2)cc1 ZINC000057681243 195357500 /nfs/dbraw/zinc/35/75/00/195357500.db2.gz KQOUJMMKMJLXIT-UHFFFAOYSA-N 1 2 456.402 5.382 40 0 JKABLO C[NH+](C)c1ccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2O)cc1 ZINC000224876707 195472917 /nfs/dbraw/zinc/47/29/17/195472917.db2.gz QRNZLDSLIPWKOV-RPBOFIJWSA-N 1 2 490.032 5.474 40 0 JKABLO COc1ccc(C(=O)Nc2ccc(-c3noc([C@@H]4CCC[N@@H+]4Cc4ccc(Cl)cc4)n3)cn2)cc1 ZINC000049155187 523747979 /nfs/dbraw/zinc/74/79/79/523747979.db2.gz OBEVDFQZBMQFLG-QFIPXVFZSA-N 1 2 489.963 5.383 40 0 biogenic,in-vitro JKABLO COc1ccc(C(=O)Nc2ccc(-c3noc([C@@H]4CCC[N@H+]4Cc4ccc(Cl)cc4)n3)cn2)cc1 ZINC000049155187 523747981 /nfs/dbraw/zinc/74/79/81/523747981.db2.gz OBEVDFQZBMQFLG-QFIPXVFZSA-N 1 2 489.963 5.383 40 0 biogenic,in-vitro JKABLO CSc1ccc([C@H]2Nc3[nH+]c4ccccc4n3C(C)=C2C(=O)Nc2ccc(C)cc2C)cc1 ZINC000016284915 526077672 /nfs/dbraw/zinc/07/76/72/526077672.db2.gz PFQYLIOQMZYWSN-RUZDIDTESA-N 1 2 454.599 6.412 40 0 JKABLO c1coc(Cn2c3c(c(-c4ccccc4)c2-c2ccccc2)[C@@H]([NH2+]Cc2ccccc2)NC=N3)c1 ZINC000020522709 526567456 /nfs/dbraw/zinc/56/74/56/526567456.db2.gz DIVIUJVKRMTKIT-LJAQVGFWSA-N 1 2 458.565 6.515 40 0 JKABLO c1coc(Cn2c3c(c(-c4ccccc4)c2-c2ccccc2)[C@@H](NCc2ccccc2)NC=[NH+]3)c1 ZINC000020522709 526567462 /nfs/dbraw/zinc/56/74/62/526567462.db2.gz DIVIUJVKRMTKIT-LJAQVGFWSA-N 1 2 458.565 6.515 40 0 JKABLO O=C(CCn1c(CN2CC[NH+](C/C=C/c3ccccc3)CC2)nc2ccccc21)c1ccccc1 ZINC000022463155 526669746 /nfs/dbraw/zinc/66/97/46/526669746.db2.gz VIAYOUBFHWUVLW-FMIVXFBMSA-N 1 2 464.613 5.140 40 0 in-man JKABLO O=C(CN(c1ccc(Br)cc1)C1=[NH+]CCCCC1)c1ccc(Br)cc1 ZINC000016768862 526701637 /nfs/dbraw/zinc/70/16/37/526701637.db2.gz VCWNJOCHNCSHQJ-UHFFFAOYSA-N 1 2 464.201 5.873 40 0 JKABLO O=C(C[N@@H+]1CC[C@@]2(O)CCCC[C@@H]2[C@@H]1c1ccc2c(c1)OCO2)Nc1ccc(Cl)cc1Cl ZINC000033681499 526805755 /nfs/dbraw/zinc/80/57/55/526805755.db2.gz JIJIPXXOLJEYFK-CQLNOVPUSA-N 1 2 477.388 5.029 40 0 JKABLO O=C(C[N@H+]1CC[C@@]2(O)CCCC[C@@H]2[C@@H]1c1ccc2c(c1)OCO2)Nc1ccc(Cl)cc1Cl ZINC000033681499 526805760 /nfs/dbraw/zinc/80/57/60/526805760.db2.gz JIJIPXXOLJEYFK-CQLNOVPUSA-N 1 2 477.388 5.029 40 0 JKABLO Cc1[nH+]cc(NC(=O)C(=O)c2c[nH]c3ccccc32)n1-c1nc(-c2ccc(Cl)cc2)cs1 ZINC000041124290 527291205 /nfs/dbraw/zinc/29/12/05/527291205.db2.gz KSUPWVNWOYZDNI-UHFFFAOYSA-N 1 2 461.934 5.260 40 0 JKABLO Cc1cccc(NC(=O)CSc2nnc(CCc3[nH]c4ccccc4[nH+]3)n2-c2ccccc2)c1C ZINC000000924628 553859959 /nfs/dbraw/zinc/85/99/59/553859959.db2.gz NMNLFCKSLMBQSL-UHFFFAOYSA-N 1 2 482.613 5.276 40 0 JKABLO COc1ccc(-c2csc(N(CCC[NH+]3CCOCC3)C(=O)c3ccc(C(C)(C)C)cc3)n2)cc1 ZINC000000929205 553866859 /nfs/dbraw/zinc/86/68/59/553866859.db2.gz BRIFGGDOHYSQGU-UHFFFAOYSA-N 1 2 493.673 5.485 40 0 JKABLO O=C(CSc1[nH+]cnc2c1cnn2-c1ccccc1)N1c2ccccc2Sc2ccccc21 ZINC000000929832 553867586 /nfs/dbraw/zinc/86/75/86/553867586.db2.gz CJWXZQZMBIMKRB-UHFFFAOYSA-N 1 2 467.579 5.737 40 0 JKABLO Cc1ccc(-n2ncc3c2nc[nH+]c3SCC(=O)N(C)c2nc(-c3ccccc3)cs2)cc1C ZINC000001346460 553955417 /nfs/dbraw/zinc/95/54/17/553955417.db2.gz GLZSXBPLAOPUGI-UHFFFAOYSA-N 1 2 486.626 5.311 40 0 JKABLO O=C(CSc1[nH+]cnc2c1cnn2-c1ccccc1Cl)N(c1ccccc1)c1ccccc1 ZINC000001346518 553955725 /nfs/dbraw/zinc/95/57/25/553955725.db2.gz MSHKIRFPGOEENW-UHFFFAOYSA-N 1 2 471.973 5.926 40 0 JKABLO COc1ccc(-n2ncc3c2nc[nH+]c3SCC(=O)N(Cc2ccccc2)c2ccc(F)cc2)cc1 ZINC000001346632 553955781 /nfs/dbraw/zinc/95/57/81/553955781.db2.gz IGNKOOQEKYNULZ-UHFFFAOYSA-N 1 2 499.571 5.289 40 0 JKABLO CCc1ccc2[nH]c(=O)c(C[N@@H+](Cc3cccs3)[C@@H](CC)c3nnnn3C(C)(C)CC)cc2c1 ZINC000001374018 553962495 /nfs/dbraw/zinc/96/24/95/553962495.db2.gz OTZKSYCOBVJQNL-QHCPKHFHSA-N 1 2 478.666 5.437 40 0 JKABLO CCc1ccc2[nH]c(=O)c(C[N@H+](Cc3cccs3)[C@@H](CC)c3nnnn3C(C)(C)CC)cc2c1 ZINC000001374018 553962497 /nfs/dbraw/zinc/96/24/97/553962497.db2.gz OTZKSYCOBVJQNL-QHCPKHFHSA-N 1 2 478.666 5.437 40 0 JKABLO CC[C@H](c1nnnn1Cc1ccccc1)[N@H+](Cc1ccccc1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000001374170 553962761 /nfs/dbraw/zinc/96/27/61/553962761.db2.gz RHUMXIPHINRCLJ-HHHXNRCGSA-N 1 2 478.600 5.025 40 0 JKABLO CC[C@H](c1nnnn1Cc1ccccc1)[N@@H+](Cc1ccccc1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000001374170 553962764 /nfs/dbraw/zinc/96/27/64/553962764.db2.gz RHUMXIPHINRCLJ-HHHXNRCGSA-N 1 2 478.600 5.025 40 0 JKABLO CC[C@H](c1nnnn1Cc1ccccc1)[N@H+](Cc1cccs1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000001375080 553963127 /nfs/dbraw/zinc/96/31/27/553963127.db2.gz CNWJYTBXFGCAEA-AREMUKBSSA-N 1 2 498.656 5.395 40 0 JKABLO CC[C@H](c1nnnn1Cc1ccccc1)[N@@H+](Cc1cccs1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000001375080 553963129 /nfs/dbraw/zinc/96/31/29/553963129.db2.gz CNWJYTBXFGCAEA-AREMUKBSSA-N 1 2 498.656 5.395 40 0 JKABLO CC[C@H](c1nnnn1Cc1ccco1)[N@H+](Cc1ccc(C)cc1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000001375334 553963410 /nfs/dbraw/zinc/96/34/10/553963410.db2.gz ACPNYXFWXMXFAV-HHHXNRCGSA-N 1 2 496.615 5.235 40 0 JKABLO CC[C@H](c1nnnn1Cc1ccco1)[N@@H+](Cc1ccc(C)cc1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000001375334 553963412 /nfs/dbraw/zinc/96/34/12/553963412.db2.gz ACPNYXFWXMXFAV-HHHXNRCGSA-N 1 2 496.615 5.235 40 0 JKABLO CC[C@H](c1nnnn1C1CCCC1)[N@H+](Cc1cccs1)Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000001375425 553963569 /nfs/dbraw/zinc/96/35/69/553963569.db2.gz VXGMSYKYSOKPEU-HSZRJFAPSA-N 1 2 476.650 5.462 40 0 JKABLO CC[C@H](c1nnnn1C1CCCC1)[N@@H+](Cc1cccs1)Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000001375425 553963573 /nfs/dbraw/zinc/96/35/73/553963573.db2.gz VXGMSYKYSOKPEU-HSZRJFAPSA-N 1 2 476.650 5.462 40 0 JKABLO CC[C@@H](c1nnnn1C1CCCC1)[N@H+](Cc1cccs1)Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000001375424 553963625 /nfs/dbraw/zinc/96/36/25/553963625.db2.gz VXGMSYKYSOKPEU-QHCPKHFHSA-N 1 2 476.650 5.462 40 0 JKABLO CC[C@@H](c1nnnn1C1CCCC1)[N@@H+](Cc1cccs1)Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000001375424 553963628 /nfs/dbraw/zinc/96/36/28/553963628.db2.gz VXGMSYKYSOKPEU-QHCPKHFHSA-N 1 2 476.650 5.462 40 0 JKABLO c1ccc(C2=CN(C3CCCCCCC3)[C@](c3ccccc3)(C3CCCCCCC3)C=[NH+]2)cc1 ZINC000001731073 553984963 /nfs/dbraw/zinc/98/49/63/553984963.db2.gz CZMDNJULRJCFNG-YTTGMZPUSA-N 1 2 454.702 8.740 40 0 JKABLO CN(C)c1ccc(Nc2[nH+]cnc3c2c(-c2ccccc2)cn3-c2ccc(Br)cc2)cc1 ZINC000002715020 554300716 /nfs/dbraw/zinc/30/07/16/554300716.db2.gz VMFYIZPQXAKFJS-UHFFFAOYSA-N 1 2 484.401 6.660 40 0 JKABLO Fc1ccc2c(c1)C1=C([C@H](c3ccc(Cl)cc3Cl)O2)[C@H](c2ccccc2)N2NC=NC2=[NH+]1 ZINC000003073008 554425490 /nfs/dbraw/zinc/42/54/90/554425490.db2.gz RJRSVCMVAQMCKK-GOTSBHOMSA-N 1 2 465.315 5.937 40 0 JKABLO CCc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C3CCCC3)[NH+]3CCC(Cc4ccccc4)CC3)cc2c1 ZINC000006197954 554519481 /nfs/dbraw/zinc/51/94/81/554519481.db2.gz PSWNYLQTOBPOFO-NDEPHWFRSA-N 1 2 496.659 5.236 40 0 JKABLO Cc1ccc2cc([C@H](c3nnnn3C3CCCCC3)[NH+]3CCC(Cc4ccccc4)CC3)c(=O)[nH]c2c1 ZINC000006410007 554535009 /nfs/dbraw/zinc/53/50/09/554535009.db2.gz NWVJHKHORNLEJT-MUUNZHRXSA-N 1 2 496.659 5.372 40 0 JKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(OC(C)C)cc4)cc3n2)c(C)c1 ZINC000008832220 554725675 /nfs/dbraw/zinc/72/56/75/554725675.db2.gz QYVYWZPYYWQSIF-UHFFFAOYSA-N 1 2 471.605 5.923 40 0 JKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=O)c4cc5ccccc5cc4OC)cc3n2)c(C)c1 ZINC000008900418 554792569 /nfs/dbraw/zinc/79/25/69/554792569.db2.gz MGMBOAFUUGQMHJ-UHFFFAOYSA-N 1 2 493.611 6.298 40 0 JKABLO COc1ccc([C@H]2[C@H]3CCCC[C@]3(O)CC[N@@H+]2CC(=O)Nc2ccc(Cl)cc2Cl)cc1OC ZINC000009159449 554948970 /nfs/dbraw/zinc/94/89/70/554948970.db2.gz ULABSGKNSQAIOJ-YWWLGCSWSA-N 1 2 493.431 5.317 40 0 JKABLO COc1ccc([C@H]2[C@H]3CCCC[C@]3(O)CC[N@H+]2CC(=O)Nc2ccc(Cl)cc2Cl)cc1OC ZINC000009159449 554948975 /nfs/dbraw/zinc/94/89/75/554948975.db2.gz ULABSGKNSQAIOJ-YWWLGCSWSA-N 1 2 493.431 5.317 40 0 JKABLO CC[C@@H](c1nnnn1C(C)(C)C)[N@H+](Cc1ccc(OC)cc1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013494460 555404546 /nfs/dbraw/zinc/40/45/46/555404546.db2.gz HEDWBCYFDFWZTH-DEOSSOPVSA-N 1 2 488.636 5.049 40 0 JKABLO CC[C@@H](c1nnnn1C(C)(C)C)[N@@H+](Cc1ccc(OC)cc1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013494460 555404548 /nfs/dbraw/zinc/40/45/48/555404548.db2.gz HEDWBCYFDFWZTH-DEOSSOPVSA-N 1 2 488.636 5.049 40 0 JKABLO CC[C@@H](c1nnnn1C(C)(C)CC)[N@H+](Cc1ccccc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013494628 555405563 /nfs/dbraw/zinc/40/55/63/555405563.db2.gz XBFCNGLUTLERGG-DEOSSOPVSA-N 1 2 458.610 5.122 40 0 JKABLO CC[C@@H](c1nnnn1C(C)(C)CC)[N@@H+](Cc1ccccc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013494628 555405565 /nfs/dbraw/zinc/40/55/65/555405565.db2.gz XBFCNGLUTLERGG-DEOSSOPVSA-N 1 2 458.610 5.122 40 0 JKABLO CC[C@H](c1nnnn1C1CCCCC1)[N@H+](Cc1ccccc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013494634 555405596 /nfs/dbraw/zinc/40/55/96/555405596.db2.gz IWVBALSNIPPWSQ-AREMUKBSSA-N 1 2 470.621 5.482 40 0 JKABLO CC[C@H](c1nnnn1C1CCCCC1)[N@@H+](Cc1ccccc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013494634 555405599 /nfs/dbraw/zinc/40/55/99/555405599.db2.gz IWVBALSNIPPWSQ-AREMUKBSSA-N 1 2 470.621 5.482 40 0 JKABLO CC[C@H](c1nnnn1C(C)(C)CC)[N@H+](Cc1ccc(C)cc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013494747 555406017 /nfs/dbraw/zinc/40/60/17/555406017.db2.gz MJXPALPUGXASAU-XMMPIXPASA-N 1 2 472.637 5.430 40 0 JKABLO CC[C@H](c1nnnn1C(C)(C)CC)[N@@H+](Cc1ccc(C)cc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013494747 555406019 /nfs/dbraw/zinc/40/60/19/555406019.db2.gz MJXPALPUGXASAU-XMMPIXPASA-N 1 2 472.637 5.430 40 0 JKABLO CC[C@@H](c1nnnn1C(C)(C)CC)[N@H+](Cc1ccccc1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013494682 555406079 /nfs/dbraw/zinc/40/60/79/555406079.db2.gz OPNUTJNDARELRC-DEOSSOPVSA-N 1 2 472.637 5.430 40 0 JKABLO CC[C@@H](c1nnnn1C(C)(C)CC)[N@@H+](Cc1ccccc1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013494682 555406081 /nfs/dbraw/zinc/40/60/81/555406081.db2.gz OPNUTJNDARELRC-DEOSSOPVSA-N 1 2 472.637 5.430 40 0 JKABLO CC[C@@H](c1nnnn1Cc1ccccc1)[N@H+](Cc1ccccc1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013494694 555406089 /nfs/dbraw/zinc/40/60/89/555406089.db2.gz UZPDXTALPRQXQA-MHZLTWQESA-N 1 2 492.627 5.333 40 0 JKABLO CC[C@@H](c1nnnn1Cc1ccccc1)[N@@H+](Cc1ccccc1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013494694 555406090 /nfs/dbraw/zinc/40/60/90/555406090.db2.gz UZPDXTALPRQXQA-MHZLTWQESA-N 1 2 492.627 5.333 40 0 JKABLO CC[C@@H](c1nnnn1C1CCCCC1)[N@H+](Cc1ccccc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013494670 555406105 /nfs/dbraw/zinc/40/61/05/555406105.db2.gz KSDOFOVFDHIYSM-VWLOTQADSA-N 1 2 470.621 5.482 40 0 JKABLO CC[C@@H](c1nnnn1C1CCCCC1)[N@@H+](Cc1ccccc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013494670 555406107 /nfs/dbraw/zinc/40/61/07/555406107.db2.gz KSDOFOVFDHIYSM-VWLOTQADSA-N 1 2 470.621 5.482 40 0 JKABLO CC[C@@H](c1nnnn1C1CCCCC1)[N@H+](Cc1ccc(C)cc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013494788 555406422 /nfs/dbraw/zinc/40/64/22/555406422.db2.gz KMCWVMHDYBVKEV-MHZLTWQESA-N 1 2 484.648 5.790 40 0 JKABLO CC[C@@H](c1nnnn1C1CCCCC1)[N@@H+](Cc1ccc(C)cc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013494788 555406425 /nfs/dbraw/zinc/40/64/25/555406425.db2.gz KMCWVMHDYBVKEV-MHZLTWQESA-N 1 2 484.648 5.790 40 0 JKABLO CC[C@@H](c1nnnn1Cc1ccccc1)[N@H+](Cc1ccc(C)cc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013494792 555406490 /nfs/dbraw/zinc/40/64/90/555406490.db2.gz BGPBDYROPRFVIN-NDEPHWFRSA-N 1 2 492.627 5.333 40 0 JKABLO CC[C@@H](c1nnnn1Cc1ccccc1)[N@@H+](Cc1ccc(C)cc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013494792 555406492 /nfs/dbraw/zinc/40/64/92/555406492.db2.gz BGPBDYROPRFVIN-NDEPHWFRSA-N 1 2 492.627 5.333 40 0 JKABLO CC[C@H](c1nnnn1C1CCCCC1)[N@H+](Cc1ccc(F)cc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013494951 555406819 /nfs/dbraw/zinc/40/68/19/555406819.db2.gz WWOIBGVCTZVNCS-RUZDIDTESA-N 1 2 488.611 5.621 40 0 JKABLO CC[C@H](c1nnnn1C1CCCCC1)[N@@H+](Cc1ccc(F)cc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013494951 555406820 /nfs/dbraw/zinc/40/68/20/555406820.db2.gz WWOIBGVCTZVNCS-RUZDIDTESA-N 1 2 488.611 5.621 40 0 JKABLO CC[C@@H](c1nnnn1C1CCCC1)[N@H+](Cc1ccc(OC)cc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013495106 555407179 /nfs/dbraw/zinc/40/71/79/555407179.db2.gz AMFOKEGCFTYUSO-VWLOTQADSA-N 1 2 486.620 5.100 40 0 JKABLO CC[C@@H](c1nnnn1C1CCCC1)[N@@H+](Cc1ccc(OC)cc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013495106 555407181 /nfs/dbraw/zinc/40/71/81/555407181.db2.gz AMFOKEGCFTYUSO-VWLOTQADSA-N 1 2 486.620 5.100 40 0 JKABLO CC[C@H](c1nnnn1C(C)(C)CC)[N@H+](Cc1ccc(OC)cc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013495130 555407276 /nfs/dbraw/zinc/40/72/76/555407276.db2.gz DOMLSMSMSPSXIV-RUZDIDTESA-N 1 2 488.636 5.130 40 0 JKABLO CC[C@H](c1nnnn1C(C)(C)CC)[N@@H+](Cc1ccc(OC)cc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013495130 555407279 /nfs/dbraw/zinc/40/72/79/555407279.db2.gz DOMLSMSMSPSXIV-RUZDIDTESA-N 1 2 488.636 5.130 40 0 JKABLO CC[C@H](c1nnnn1CCc1ccccc1)[N@H+](Cc1cccs1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013495749 555409166 /nfs/dbraw/zinc/40/91/66/555409166.db2.gz VYZTYJAMFRWBRE-RUZDIDTESA-N 1 2 498.656 5.281 40 0 JKABLO CC[C@H](c1nnnn1CCc1ccccc1)[N@@H+](Cc1cccs1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013495749 555409167 /nfs/dbraw/zinc/40/91/67/555409167.db2.gz VYZTYJAMFRWBRE-RUZDIDTESA-N 1 2 498.656 5.281 40 0 JKABLO CC[C@H](c1nnnn1C1CCCC1)[N@H+](Cc1cccs1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013495772 555409171 /nfs/dbraw/zinc/40/91/71/555409171.db2.gz FLHIEQCHFITCEH-HSZRJFAPSA-N 1 2 476.650 5.462 40 0 JKABLO CC[C@H](c1nnnn1C1CCCC1)[N@@H+](Cc1cccs1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013495772 555409173 /nfs/dbraw/zinc/40/91/73/555409173.db2.gz FLHIEQCHFITCEH-HSZRJFAPSA-N 1 2 476.650 5.462 40 0 JKABLO CC[C@@H](c1nnnn1Cc1ccccc1)[N@H+](Cc1cccs1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013495759 555409218 /nfs/dbraw/zinc/40/92/18/555409218.db2.gz AZJJSWAXMZTCCM-VWLOTQADSA-N 1 2 484.629 5.086 40 0 JKABLO CC[C@@H](c1nnnn1Cc1ccccc1)[N@@H+](Cc1cccs1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013495759 555409219 /nfs/dbraw/zinc/40/92/19/555409219.db2.gz AZJJSWAXMZTCCM-VWLOTQADSA-N 1 2 484.629 5.086 40 0 JKABLO CCc1ccc2[nH]c(=O)c(C[N@H+](Cc3ccccc3)[C@@H](c3nnnn3C(C)(C)C)C(C)C)cc2c1 ZINC000013498422 555420403 /nfs/dbraw/zinc/42/04/03/555420403.db2.gz ITEVGKHRDNSGEL-RUZDIDTESA-N 1 2 472.637 5.232 40 0 JKABLO CCc1ccc2[nH]c(=O)c(C[N@@H+](Cc3ccccc3)[C@@H](c3nnnn3C(C)(C)C)C(C)C)cc2c1 ZINC000013498422 555420408 /nfs/dbraw/zinc/42/04/08/555420408.db2.gz ITEVGKHRDNSGEL-RUZDIDTESA-N 1 2 472.637 5.232 40 0 JKABLO CCc1ccc2[nH]c(=O)c(C[N@H+](Cc3cccs3)[C@H](c3nnnn3C3CCCC3)C(C)C)cc2c1 ZINC000013498436 555420768 /nfs/dbraw/zinc/42/07/68/555420768.db2.gz KVCCGRPVXFMELY-VWLOTQADSA-N 1 2 490.677 5.653 40 0 JKABLO CCc1ccc2[nH]c(=O)c(C[N@@H+](Cc3cccs3)[C@H](c3nnnn3C3CCCC3)C(C)C)cc2c1 ZINC000013498436 555420772 /nfs/dbraw/zinc/42/07/72/555420772.db2.gz KVCCGRPVXFMELY-VWLOTQADSA-N 1 2 490.677 5.653 40 0 JKABLO CCc1ccc2[nH]c(=O)c(C[N@H+](Cc3ccccc3)[C@@H](c3nnnn3C3CCCCC3)C(C)C)cc2c1 ZINC000013498443 555420810 /nfs/dbraw/zinc/42/08/10/555420810.db2.gz JEBAJEOORQMBGZ-MUUNZHRXSA-N 1 2 498.675 5.982 40 0 JKABLO CCc1ccc2[nH]c(=O)c(C[N@@H+](Cc3ccccc3)[C@@H](c3nnnn3C3CCCCC3)C(C)C)cc2c1 ZINC000013498443 555420812 /nfs/dbraw/zinc/42/08/12/555420812.db2.gz JEBAJEOORQMBGZ-MUUNZHRXSA-N 1 2 498.675 5.982 40 0 JKABLO CCc1ccc2[nH]c(=O)c(C[N@H+](Cc3ccccc3)[C@@H](c3nnnn3Cc3ccco3)C(C)C)cc2c1 ZINC000013498471 555421189 /nfs/dbraw/zinc/42/11/89/555421189.db2.gz ACPSKAJVYMJTAV-HHHXNRCGSA-N 1 2 496.615 5.118 40 0 JKABLO CCc1ccc2[nH]c(=O)c(C[N@@H+](Cc3ccccc3)[C@@H](c3nnnn3Cc3ccco3)C(C)C)cc2c1 ZINC000013498471 555421193 /nfs/dbraw/zinc/42/11/93/555421193.db2.gz ACPSKAJVYMJTAV-HHHXNRCGSA-N 1 2 496.615 5.118 40 0 JKABLO Cc1ccc(C[N@H+](Cc2cc3ccc(C)cc3[nH]c2=O)[C@@H](c2nnnn2C2CCCCC2)C(C)C)cc1 ZINC000013498565 555422045 /nfs/dbraw/zinc/42/20/45/555422045.db2.gz MNNVAQMOMFFQPG-MUUNZHRXSA-N 1 2 498.675 6.036 40 0 JKABLO Cc1ccc(C[N@@H+](Cc2cc3ccc(C)cc3[nH]c2=O)[C@@H](c2nnnn2C2CCCCC2)C(C)C)cc1 ZINC000013498565 555422049 /nfs/dbraw/zinc/42/20/49/555422049.db2.gz MNNVAQMOMFFQPG-MUUNZHRXSA-N 1 2 498.675 6.036 40 0 JKABLO CCC(C)(C)n1nnnc1[C@@H](C(C)C)[N@H+](Cc1cccs1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000013498619 555422892 /nfs/dbraw/zinc/42/28/92/555422892.db2.gz AHODSEWCAISFHW-HSZRJFAPSA-N 1 2 494.665 5.129 40 0 JKABLO CCC(C)(C)n1nnnc1[C@@H](C(C)C)[N@@H+](Cc1cccs1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000013498619 555422894 /nfs/dbraw/zinc/42/28/94/555422894.db2.gz AHODSEWCAISFHW-HSZRJFAPSA-N 1 2 494.665 5.129 40 0 JKABLO COc1ccc2[nH]c(=O)c(C[N@H+](Cc3cccs3)[C@H](c3nnnn3C3CCCC3)C(C)C)cc2c1 ZINC000013498633 555422989 /nfs/dbraw/zinc/42/29/89/555422989.db2.gz QSZHHPWCPZHTDW-DEOSSOPVSA-N 1 2 492.649 5.099 40 0 JKABLO COc1ccc2[nH]c(=O)c(C[N@@H+](Cc3cccs3)[C@H](c3nnnn3C3CCCC3)C(C)C)cc2c1 ZINC000013498633 555422990 /nfs/dbraw/zinc/42/29/90/555422990.db2.gz QSZHHPWCPZHTDW-DEOSSOPVSA-N 1 2 492.649 5.099 40 0 JKABLO CCC(C)(C)n1nnnc1[C@H](C(C)C)[N@H+](Cc1cccs1)Cc1cc2ccc(OC)cc2[nH]c1=O ZINC000013498719 555423814 /nfs/dbraw/zinc/42/38/14/555423814.db2.gz FXRGUBOPBFQDNH-QHCPKHFHSA-N 1 2 494.665 5.129 40 0 JKABLO CCC(C)(C)n1nnnc1[C@H](C(C)C)[N@@H+](Cc1cccs1)Cc1cc2ccc(OC)cc2[nH]c1=O ZINC000013498719 555423816 /nfs/dbraw/zinc/42/38/16/555423816.db2.gz FXRGUBOPBFQDNH-QHCPKHFHSA-N 1 2 494.665 5.129 40 0 JKABLO Cc1cc2cc(C[N@@H+](Cc3ccccc3)[C@@H](c3nnnn3C(C)(C)C)C(C)C)c(=O)[nH]c2cc1C ZINC000013498836 555425164 /nfs/dbraw/zinc/42/51/64/555425164.db2.gz OEAHCHYXZXZRCP-RUZDIDTESA-N 1 2 472.637 5.286 40 0 JKABLO Cc1cc2cc(C[N@H+](Cc3ccccc3)[C@@H](c3nnnn3C(C)(C)C)C(C)C)c(=O)[nH]c2cc1C ZINC000013498836 555425166 /nfs/dbraw/zinc/42/51/66/555425166.db2.gz OEAHCHYXZXZRCP-RUZDIDTESA-N 1 2 472.637 5.286 40 0 JKABLO Cc1cc2cc(C[N@@H+](Cc3cccs3)[C@@H](c3nnnn3C(C)(C)C)C(C)C)c(=O)[nH]c2cc1C ZINC000013498846 555425184 /nfs/dbraw/zinc/42/51/84/555425184.db2.gz JCXNJLQHOYQXIR-HSZRJFAPSA-N 1 2 478.666 5.347 40 0 JKABLO Cc1cc2cc(C[N@H+](Cc3cccs3)[C@@H](c3nnnn3C(C)(C)C)C(C)C)c(=O)[nH]c2cc1C ZINC000013498846 555425187 /nfs/dbraw/zinc/42/51/87/555425187.db2.gz JCXNJLQHOYQXIR-HSZRJFAPSA-N 1 2 478.666 5.347 40 0 JKABLO Cc1cc2cc(C[N@@H+](Cc3cccnc3)[C@@H](c3nnnn3C3CCCC3)C(C)C)c(=O)[nH]c2cc1C ZINC000013498870 555425578 /nfs/dbraw/zinc/42/55/78/555425578.db2.gz BOXZXSSXCAOBHB-AREMUKBSSA-N 1 2 485.636 5.041 40 0 JKABLO Cc1cc2cc(C[N@H+](Cc3cccnc3)[C@@H](c3nnnn3C3CCCC3)C(C)C)c(=O)[nH]c2cc1C ZINC000013498870 555425580 /nfs/dbraw/zinc/42/55/80/555425580.db2.gz BOXZXSSXCAOBHB-AREMUKBSSA-N 1 2 485.636 5.041 40 0 JKABLO Cc1cc2cc(C[N@@H+](Cc3cccnc3)[C@H](c3nnnn3C3CCCC3)C(C)C)c(=O)[nH]c2cc1C ZINC000013498871 555425623 /nfs/dbraw/zinc/42/56/23/555425623.db2.gz BOXZXSSXCAOBHB-SANMLTNESA-N 1 2 485.636 5.041 40 0 JKABLO Cc1cc2cc(C[N@H+](Cc3cccnc3)[C@H](c3nnnn3C3CCCC3)C(C)C)c(=O)[nH]c2cc1C ZINC000013498871 555425624 /nfs/dbraw/zinc/42/56/24/555425624.db2.gz BOXZXSSXCAOBHB-SANMLTNESA-N 1 2 485.636 5.041 40 0 JKABLO CCC(C)(C)n1nnnc1[C@H](C(C)C)[N@H+](Cc1cccnc1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000013498857 555425633 /nfs/dbraw/zinc/42/56/33/555425633.db2.gz CSMDQNPOKGBZJJ-VWLOTQADSA-N 1 2 487.652 5.071 40 0 JKABLO CCC(C)(C)n1nnnc1[C@H](C(C)C)[N@@H+](Cc1cccnc1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000013498857 555425634 /nfs/dbraw/zinc/42/56/34/555425634.db2.gz CSMDQNPOKGBZJJ-VWLOTQADSA-N 1 2 487.652 5.071 40 0 JKABLO Cc1cc2cc(C[N@@H+](C[C@@H]3CCCO3)[C@H](c3nnnn3C3CCCCC3)C(C)C)c(=O)[nH]c2cc1C ZINC000013498889 555426031 /nfs/dbraw/zinc/42/60/31/555426031.db2.gz AROSIMDYIAPRSY-AHWVRZQESA-N 1 2 492.668 5.015 40 0 JKABLO Cc1cc2cc(C[N@H+](C[C@@H]3CCCO3)[C@H](c3nnnn3C3CCCCC3)C(C)C)c(=O)[nH]c2cc1C ZINC000013498889 555426032 /nfs/dbraw/zinc/42/60/32/555426032.db2.gz AROSIMDYIAPRSY-AHWVRZQESA-N 1 2 492.668 5.015 40 0 JKABLO Cc1cc(C)c2cc(C[N@@H+](Cc3ccco3)[C@@H](c3nnnn3Cc3ccccc3)C(C)C)c(=O)[nH]c2c1 ZINC000013499054 555427576 /nfs/dbraw/zinc/42/75/76/555427576.db2.gz ZBAJCPHPBWTDOY-HHHXNRCGSA-N 1 2 496.615 5.172 40 0 JKABLO Cc1cc(C)c2cc(C[N@H+](Cc3ccco3)[C@@H](c3nnnn3Cc3ccccc3)C(C)C)c(=O)[nH]c2c1 ZINC000013499054 555427580 /nfs/dbraw/zinc/42/75/80/555427580.db2.gz ZBAJCPHPBWTDOY-HHHXNRCGSA-N 1 2 496.615 5.172 40 0 JKABLO CCC(C)(C)n1nnnc1[C@@H](C(C)C)[N@H+](Cc1cccs1)Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000013499124 555428376 /nfs/dbraw/zinc/42/83/76/555428376.db2.gz FHYJXKHYJSSYFE-XMMPIXPASA-N 1 2 492.693 5.738 40 0 JKABLO CCC(C)(C)n1nnnc1[C@@H](C(C)C)[N@@H+](Cc1cccs1)Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000013499124 555428378 /nfs/dbraw/zinc/42/83/78/555428378.db2.gz FHYJXKHYJSSYFE-XMMPIXPASA-N 1 2 492.693 5.738 40 0 JKABLO Cc1ccc2cc(C[N@@H+](C[C@@H]3CCCO3)[C@H](c3nnnn3C3CCCCC3)C(C)C)c(=O)[nH]c2c1C ZINC000013499135 555428491 /nfs/dbraw/zinc/42/84/91/555428491.db2.gz WZUSHYPBRRGLCJ-AHWVRZQESA-N 1 2 492.668 5.015 40 0 JKABLO Cc1ccc2cc(C[N@H+](C[C@@H]3CCCO3)[C@H](c3nnnn3C3CCCCC3)C(C)C)c(=O)[nH]c2c1C ZINC000013499135 555428493 /nfs/dbraw/zinc/42/84/93/555428493.db2.gz WZUSHYPBRRGLCJ-AHWVRZQESA-N 1 2 492.668 5.015 40 0 JKABLO Cc1ccc2cc(C[N@@H+](Cc3ccco3)[C@@H](c3nnnn3C3CCCCC3)C(C)C)c(=O)[nH]c2c1C ZINC000013499136 555428513 /nfs/dbraw/zinc/42/85/13/555428513.db2.gz DYYKNVJXJRDKOB-AREMUKBSSA-N 1 2 488.636 5.629 40 0 JKABLO Cc1ccc2cc(C[N@H+](Cc3ccco3)[C@@H](c3nnnn3C3CCCCC3)C(C)C)c(=O)[nH]c2c1C ZINC000013499136 555428514 /nfs/dbraw/zinc/42/85/14/555428514.db2.gz DYYKNVJXJRDKOB-AREMUKBSSA-N 1 2 488.636 5.629 40 0 JKABLO CCC[C@H](c1nnnn1C1CCCC1)[N@H+](Cc1ccc(C)cc1)Cc1cc2cc(CC)ccc2[nH]c1=O ZINC000013499255 555429534 /nfs/dbraw/zinc/42/95/34/555429534.db2.gz VKLZYLMZODWCSG-MUUNZHRXSA-N 1 2 498.675 6.044 40 0 JKABLO CCC[C@H](c1nnnn1C1CCCC1)[N@@H+](Cc1ccc(C)cc1)Cc1cc2cc(CC)ccc2[nH]c1=O ZINC000013499255 555429537 /nfs/dbraw/zinc/42/95/37/555429537.db2.gz VKLZYLMZODWCSG-MUUNZHRXSA-N 1 2 498.675 6.044 40 0 JKABLO CCC[C@@H](c1nnnn1C1CCCCC1)[N@H+](Cc1ccccc1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000013499472 555431713 /nfs/dbraw/zinc/43/17/13/555431713.db2.gz CVKWCOZUNIQKSY-NDEPHWFRSA-N 1 2 498.675 6.180 40 0 JKABLO CCC[C@@H](c1nnnn1C1CCCCC1)[N@@H+](Cc1ccccc1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000013499472 555431715 /nfs/dbraw/zinc/43/17/15/555431715.db2.gz CVKWCOZUNIQKSY-NDEPHWFRSA-N 1 2 498.675 6.180 40 0 JKABLO CCC[C@H](c1nnnn1C1CCCCC1)[N@@H+](Cc1cc2cc(C)c(C)cc2[nH]c1=O)C[C@@H]1CCCO1 ZINC000013499473 555431852 /nfs/dbraw/zinc/43/18/52/555431852.db2.gz XVYMUPJACHGULJ-AZGAKELHSA-N 1 2 492.668 5.159 40 0 JKABLO CCC[C@H](c1nnnn1C1CCCCC1)[N@H+](Cc1cc2cc(C)c(C)cc2[nH]c1=O)C[C@@H]1CCCO1 ZINC000013499473 555431855 /nfs/dbraw/zinc/43/18/55/555431855.db2.gz XVYMUPJACHGULJ-AZGAKELHSA-N 1 2 492.668 5.159 40 0 JKABLO CCC[C@@H](c1nnnn1C1CCCC1)[N@H+](Cc1ccccc1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000013499564 555432921 /nfs/dbraw/zinc/43/29/21/555432921.db2.gz RMSKFASFULFPKS-MHZLTWQESA-N 1 2 484.648 5.790 40 0 JKABLO CCC[C@@H](c1nnnn1C1CCCC1)[N@@H+](Cc1ccccc1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000013499564 555432923 /nfs/dbraw/zinc/43/29/23/555432923.db2.gz RMSKFASFULFPKS-MHZLTWQESA-N 1 2 484.648 5.790 40 0 JKABLO CCC[C@@H](c1nnnn1C(C)(C)CC)[N@H+](Cc1ccccc1)Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000013499626 555433920 /nfs/dbraw/zinc/43/39/20/555433920.db2.gz GATAWKLDZOGZLS-VWLOTQADSA-N 1 2 486.664 5.820 40 0 JKABLO CCC[C@@H](c1nnnn1C(C)(C)CC)[N@@H+](Cc1ccccc1)Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000013499626 555433923 /nfs/dbraw/zinc/43/39/23/555433923.db2.gz GATAWKLDZOGZLS-VWLOTQADSA-N 1 2 486.664 5.820 40 0 JKABLO CCC[C@@H](c1nnnn1C1CCCC1)[N@H+](Cc1ccc(C)cc1)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000013499672 555434345 /nfs/dbraw/zinc/43/43/45/555434345.db2.gz VBSIUVMVYJARJU-MHZLTWQESA-N 1 2 498.675 6.099 40 0 JKABLO CCC[C@@H](c1nnnn1C1CCCC1)[N@@H+](Cc1ccc(C)cc1)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000013499672 555434350 /nfs/dbraw/zinc/43/43/50/555434350.db2.gz VBSIUVMVYJARJU-MHZLTWQESA-N 1 2 498.675 6.099 40 0 JKABLO CCC[C@H](c1nnnn1C1CCCC1)[N@H+](Cc1ccc(C)cc1)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000013499671 555434457 /nfs/dbraw/zinc/43/44/57/555434457.db2.gz VBSIUVMVYJARJU-HHHXNRCGSA-N 1 2 498.675 6.099 40 0 JKABLO CCC[C@H](c1nnnn1C1CCCC1)[N@@H+](Cc1ccc(C)cc1)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000013499671 555434459 /nfs/dbraw/zinc/43/44/59/555434459.db2.gz VBSIUVMVYJARJU-HHHXNRCGSA-N 1 2 498.675 6.099 40 0 JKABLO Cc1cc(C)c2[nH]c(=O)c(C[N@@H+](Cc3ccccc3)[C@@H](c3nnnn3Cc3ccco3)C(C)C)cc2c1 ZINC000013500329 555438885 /nfs/dbraw/zinc/43/88/85/555438885.db2.gz LFRPDIROLQSVGC-HHHXNRCGSA-N 1 2 496.615 5.172 40 0 JKABLO Cc1cc(C)c2[nH]c(=O)c(C[N@H+](Cc3ccccc3)[C@@H](c3nnnn3Cc3ccco3)C(C)C)cc2c1 ZINC000013500329 555438888 /nfs/dbraw/zinc/43/88/88/555438888.db2.gz LFRPDIROLQSVGC-HHHXNRCGSA-N 1 2 496.615 5.172 40 0 JKABLO Cc1ccc(C[N@H+](Cc2cc3cccc(C)c3[nH]c2=O)[C@H](c2nnnn2Cc2ccco2)C(C)C)cc1 ZINC000013500336 555439352 /nfs/dbraw/zinc/43/93/52/555439352.db2.gz JLOMAMIHOJCYEV-MHZLTWQESA-N 1 2 496.615 5.172 40 0 JKABLO Cc1ccc(C[N@@H+](Cc2cc3cccc(C)c3[nH]c2=O)[C@H](c2nnnn2Cc2ccco2)C(C)C)cc1 ZINC000013500336 555439355 /nfs/dbraw/zinc/43/93/55/555439355.db2.gz JLOMAMIHOJCYEV-MHZLTWQESA-N 1 2 496.615 5.172 40 0 JKABLO Cc1ccc2[nH]c(=O)c(C[N@@H+](Cc3ccco3)[C@H](c3nnnn3CCc3ccccc3)C(C)C)cc2c1 ZINC000013500447 555440140 /nfs/dbraw/zinc/44/01/40/555440140.db2.gz SVDNQPPBRLMXOG-MHZLTWQESA-N 1 2 496.615 5.058 40 0 JKABLO Cc1ccc2[nH]c(=O)c(C[N@H+](Cc3ccco3)[C@H](c3nnnn3CCc3ccccc3)C(C)C)cc2c1 ZINC000013500447 555440142 /nfs/dbraw/zinc/44/01/42/555440142.db2.gz SVDNQPPBRLMXOG-MHZLTWQESA-N 1 2 496.615 5.058 40 0 JKABLO CCC(C)(C)n1nnnc1[C@H](C(C)C)[N@H+](Cc1cccs1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013500471 555440401 /nfs/dbraw/zinc/44/04/01/555440401.db2.gz ZKVGHTOYAZVVCG-QHCPKHFHSA-N 1 2 478.666 5.429 40 0 JKABLO CCC(C)(C)n1nnnc1[C@H](C(C)C)[N@@H+](Cc1cccs1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013500471 555440407 /nfs/dbraw/zinc/44/04/07/555440407.db2.gz ZKVGHTOYAZVVCG-QHCPKHFHSA-N 1 2 478.666 5.429 40 0 JKABLO Cc1cccc2cc(C[N@@H+](Cc3cccs3)[C@@H](c3nnnn3C3CCCCC3)C(C)C)c(=O)[nH]c12 ZINC000013500472 555440612 /nfs/dbraw/zinc/44/06/12/555440612.db2.gz AECHEYPPJNSQOV-RUZDIDTESA-N 1 2 490.677 5.789 40 0 JKABLO Cc1cccc2cc(C[N@H+](Cc3cccs3)[C@@H](c3nnnn3C3CCCCC3)C(C)C)c(=O)[nH]c12 ZINC000013500472 555440615 /nfs/dbraw/zinc/44/06/15/555440615.db2.gz AECHEYPPJNSQOV-RUZDIDTESA-N 1 2 490.677 5.789 40 0 JKABLO CCC(C)(C)n1nnnc1[C@H](C(C)C)[N@H+](Cc1cccs1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013500497 555440868 /nfs/dbraw/zinc/44/08/68/555440868.db2.gz BLROLSQJAGKBBJ-DEOSSOPVSA-N 1 2 492.693 5.738 40 0 JKABLO CCC(C)(C)n1nnnc1[C@H](C(C)C)[N@@H+](Cc1cccs1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013500497 555440870 /nfs/dbraw/zinc/44/08/70/555440870.db2.gz BLROLSQJAGKBBJ-DEOSSOPVSA-N 1 2 492.693 5.738 40 0 JKABLO CCC[C@@H](c1nnnn1C(C)(C)C)[N@H+](Cc1ccc(OC)cc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013500721 555443444 /nfs/dbraw/zinc/44/34/44/555443444.db2.gz JEOAMJYQOUORLJ-VWLOTQADSA-N 1 2 488.636 5.130 40 0 JKABLO CCC[C@@H](c1nnnn1C(C)(C)C)[N@@H+](Cc1ccc(OC)cc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013500721 555443446 /nfs/dbraw/zinc/44/34/46/555443446.db2.gz JEOAMJYQOUORLJ-VWLOTQADSA-N 1 2 488.636 5.130 40 0 JKABLO CCC[C@@H](c1nnnn1C(C)(C)CC)[N@H+](Cc1ccccc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013500771 555443893 /nfs/dbraw/zinc/44/38/93/555443893.db2.gz JFTXXRAXBPCIKP-VWLOTQADSA-N 1 2 472.637 5.512 40 0 JKABLO CCC[C@@H](c1nnnn1C(C)(C)CC)[N@@H+](Cc1ccccc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013500771 555443896 /nfs/dbraw/zinc/44/38/96/555443896.db2.gz JFTXXRAXBPCIKP-VWLOTQADSA-N 1 2 472.637 5.512 40 0 JKABLO CCC[C@H](c1nnnn1C1CCCCC1)[N@H+](Cc1ccccc1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013500798 555443925 /nfs/dbraw/zinc/44/39/25/555443925.db2.gz MTWUBBUDRSRFBB-HHHXNRCGSA-N 1 2 498.675 6.180 40 0 JKABLO CCC[C@H](c1nnnn1C1CCCCC1)[N@@H+](Cc1ccccc1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013500798 555443929 /nfs/dbraw/zinc/44/39/29/555443929.db2.gz MTWUBBUDRSRFBB-HHHXNRCGSA-N 1 2 498.675 6.180 40 0 JKABLO CCC[C@H](c1nnnn1C(C)(C)CC)[N@H+](Cc1ccccc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013500770 555443947 /nfs/dbraw/zinc/44/39/47/555443947.db2.gz JFTXXRAXBPCIKP-RUZDIDTESA-N 1 2 472.637 5.512 40 0 JKABLO CCC[C@H](c1nnnn1C(C)(C)CC)[N@@H+](Cc1ccccc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013500770 555443950 /nfs/dbraw/zinc/44/39/50/555443950.db2.gz JFTXXRAXBPCIKP-RUZDIDTESA-N 1 2 472.637 5.512 40 0 JKABLO CCC[C@H](c1nnnn1Cc1ccco1)[N@H+](Cc1ccccc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013500780 555443981 /nfs/dbraw/zinc/44/39/81/555443981.db2.gz CAZYDABDOIONNB-AREMUKBSSA-N 1 2 482.588 5.008 40 0 JKABLO CCC[C@H](c1nnnn1Cc1ccco1)[N@@H+](Cc1ccccc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013500780 555443984 /nfs/dbraw/zinc/44/39/84/555443984.db2.gz CAZYDABDOIONNB-AREMUKBSSA-N 1 2 482.588 5.008 40 0 JKABLO CCC[C@H](c1nnnn1C(C)(C)CC)[N@H+](Cc1ccccc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013500768 555444034 /nfs/dbraw/zinc/44/40/34/555444034.db2.gz PLJUNPMTJXHISV-XMMPIXPASA-N 1 2 472.637 5.512 40 0 JKABLO CCC[C@H](c1nnnn1C(C)(C)CC)[N@@H+](Cc1ccccc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013500768 555444036 /nfs/dbraw/zinc/44/40/36/555444036.db2.gz PLJUNPMTJXHISV-XMMPIXPASA-N 1 2 472.637 5.512 40 0 JKABLO CCC[C@H](c1nnnn1C1CCCC1)[N@H+](Cc1ccc(F)cc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013500830 555444230 /nfs/dbraw/zinc/44/42/30/555444230.db2.gz DOYQSZOMVWRPIY-RUZDIDTESA-N 1 2 488.611 5.621 40 0 JKABLO CCC[C@H](c1nnnn1C1CCCC1)[N@@H+](Cc1ccc(F)cc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013500830 555444233 /nfs/dbraw/zinc/44/42/33/555444233.db2.gz DOYQSZOMVWRPIY-RUZDIDTESA-N 1 2 488.611 5.621 40 0 JKABLO CCC[C@H](c1nnnn1Cc1ccco1)[N@H+](Cc1ccccc1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013500800 555444447 /nfs/dbraw/zinc/44/44/47/555444447.db2.gz RIMFKTSVWZQURC-AREMUKBSSA-N 1 2 496.615 5.316 40 0 JKABLO CCC[C@H](c1nnnn1Cc1ccco1)[N@@H+](Cc1ccccc1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013500800 555444450 /nfs/dbraw/zinc/44/44/50/555444450.db2.gz RIMFKTSVWZQURC-AREMUKBSSA-N 1 2 496.615 5.316 40 0 JKABLO CCC[C@@H](c1nnnn1C1CCCC1)[N@H+](Cc1ccc(F)cc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013500835 555444465 /nfs/dbraw/zinc/44/44/65/555444465.db2.gz FZWHGIRDMHOOMV-SANMLTNESA-N 1 2 488.611 5.621 40 0 JKABLO CCC[C@@H](c1nnnn1C1CCCC1)[N@@H+](Cc1ccc(F)cc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013500835 555444469 /nfs/dbraw/zinc/44/44/69/555444469.db2.gz FZWHGIRDMHOOMV-SANMLTNESA-N 1 2 488.611 5.621 40 0 JKABLO CCC[C@H](c1nnnn1C1CCCC1)[N@H+](Cc1ccc(C)cc1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013500822 555444474 /nfs/dbraw/zinc/44/44/74/555444474.db2.gz PNQXYXWDXMVOLI-HHHXNRCGSA-N 1 2 498.675 6.099 40 0 JKABLO CCC[C@H](c1nnnn1C1CCCC1)[N@@H+](Cc1ccc(C)cc1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013500822 555444479 /nfs/dbraw/zinc/44/44/79/555444479.db2.gz PNQXYXWDXMVOLI-HHHXNRCGSA-N 1 2 498.675 6.099 40 0 JKABLO CCC[C@@H](c1nnnn1Cc1ccccc1)[N@H+](Cc1cccs1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013500949 555445598 /nfs/dbraw/zinc/44/55/98/555445598.db2.gz RIFMHJCMXTULQT-VWLOTQADSA-N 1 2 498.656 5.476 40 0 JKABLO CCC[C@@H](c1nnnn1Cc1ccccc1)[N@@H+](Cc1cccs1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013500949 555445599 /nfs/dbraw/zinc/44/55/99/555445599.db2.gz RIFMHJCMXTULQT-VWLOTQADSA-N 1 2 498.656 5.476 40 0 JKABLO CCC[C@@H](c1nnnn1C1CCCC1)[N@H+](Cc1cccs1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013500973 555445775 /nfs/dbraw/zinc/44/57/75/555445775.db2.gz GVGFVNJXHAYNLY-DEOSSOPVSA-N 1 2 490.677 5.852 40 0 JKABLO CCC[C@@H](c1nnnn1C1CCCC1)[N@@H+](Cc1cccs1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013500973 555445779 /nfs/dbraw/zinc/44/57/79/555445779.db2.gz GVGFVNJXHAYNLY-DEOSSOPVSA-N 1 2 490.677 5.852 40 0 JKABLO CCC[C@H](c1nnnn1C1CCCC1)[N@H+](Cc1cccs1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013500958 555445941 /nfs/dbraw/zinc/44/59/41/555445941.db2.gz FRMXDEQZWIZXQR-XMMPIXPASA-N 1 2 476.650 5.543 40 0 JKABLO CCC[C@H](c1nnnn1C1CCCC1)[N@@H+](Cc1cccs1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013500958 555445944 /nfs/dbraw/zinc/44/59/44/555445944.db2.gz FRMXDEQZWIZXQR-XMMPIXPASA-N 1 2 476.650 5.543 40 0 JKABLO CCC[C@@H](c1nnnn1C(C)(C)CC)[N@H+](Cc1cccs1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013500971 555445957 /nfs/dbraw/zinc/44/59/57/555445957.db2.gz JXSGFLUMOISTDC-QHCPKHFHSA-N 1 2 492.693 5.882 40 0 JKABLO CCC[C@@H](c1nnnn1C(C)(C)CC)[N@@H+](Cc1cccs1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013500971 555445959 /nfs/dbraw/zinc/44/59/59/555445959.db2.gz JXSGFLUMOISTDC-QHCPKHFHSA-N 1 2 492.693 5.882 40 0 JKABLO CCC[C@H](c1nnnn1Cc1ccccc1)[N@H+](Cc1cccs1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013500962 555445995 /nfs/dbraw/zinc/44/59/95/555445995.db2.gz LEJQTQNKHVAQEW-AREMUKBSSA-N 1 2 498.656 5.476 40 0 JKABLO CCC[C@H](c1nnnn1Cc1ccccc1)[N@@H+](Cc1cccs1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013500962 555445997 /nfs/dbraw/zinc/44/59/97/555445997.db2.gz LEJQTQNKHVAQEW-AREMUKBSSA-N 1 2 498.656 5.476 40 0 JKABLO CCC[C@H](c1nnnn1C1CCCC1)[N@H+](Cc1cccs1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013500972 555446011 /nfs/dbraw/zinc/44/60/11/555446011.db2.gz GVGFVNJXHAYNLY-XMMPIXPASA-N 1 2 490.677 5.852 40 0 JKABLO CCC[C@H](c1nnnn1C1CCCC1)[N@@H+](Cc1cccs1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013500972 555446013 /nfs/dbraw/zinc/44/60/13/555446013.db2.gz GVGFVNJXHAYNLY-XMMPIXPASA-N 1 2 490.677 5.852 40 0 JKABLO COCCn1nnnc1[C@H](c1ccc(C(F)(F)F)cc1)[N@H+](CCc1ccccc1)Cc1ccccc1 ZINC000013561794 555495142 /nfs/dbraw/zinc/49/51/42/555495142.db2.gz SJNCMFGXMPGMHF-VWLOTQADSA-N 1 2 495.549 5.173 40 0 JKABLO COCCn1nnnc1[C@H](c1ccc(C(F)(F)F)cc1)[N@@H+](CCc1ccccc1)Cc1ccccc1 ZINC000013561794 555495145 /nfs/dbraw/zinc/49/51/45/555495145.db2.gz SJNCMFGXMPGMHF-VWLOTQADSA-N 1 2 495.549 5.173 40 0 JKABLO CC[N@H+](Cc1ccccc1)[C@H](c1nnnn1Cc1ccc(OC)cc1)c1cccc(C(F)(F)F)c1 ZINC000013561785 555495159 /nfs/dbraw/zinc/49/51/59/555495159.db2.gz ZFWSKZFXCDIUOI-DEOSSOPVSA-N 1 2 481.522 5.360 40 0 JKABLO CC[N@@H+](Cc1ccccc1)[C@H](c1nnnn1Cc1ccc(OC)cc1)c1cccc(C(F)(F)F)c1 ZINC000013561785 555495161 /nfs/dbraw/zinc/49/51/61/555495161.db2.gz ZFWSKZFXCDIUOI-DEOSSOPVSA-N 1 2 481.522 5.360 40 0 JKABLO CC(C)(C)n1nnnc1[C@H](c1cccc(C(F)(F)F)c1)[N@H+](CCc1ccccc1)Cc1cccs1 ZINC000013561901 555495478 /nfs/dbraw/zinc/49/54/78/555495478.db2.gz BFCDMBFRVAAXMQ-QHCPKHFHSA-N 1 2 499.606 6.343 40 0 JKABLO CC(C)(C)n1nnnc1[C@H](c1cccc(C(F)(F)F)c1)[N@@H+](CCc1ccccc1)Cc1cccs1 ZINC000013561901 555495481 /nfs/dbraw/zinc/49/54/81/555495481.db2.gz BFCDMBFRVAAXMQ-QHCPKHFHSA-N 1 2 499.606 6.343 40 0 JKABLO CCOc1ccccc1N1CC[NH+](CC(=O)N(c2ccccc2)c2ccc3ccccc3c2)CC1 ZINC000013562870 555497856 /nfs/dbraw/zinc/49/78/56/555497856.db2.gz JJRBUPFZDZNDCL-UHFFFAOYSA-N 1 2 465.597 5.725 40 0 JKABLO CCOc1cc([C@H]2[C@H]3CCCC[C@@]3(O)CC[N@@H+]2CC(=O)Nc2ccc(Cl)cc2Cl)ccc1O ZINC000013607455 555531684 /nfs/dbraw/zinc/53/16/84/555531684.db2.gz ZKTHAUVEDZILFI-AYCKEJKLSA-N 1 2 493.431 5.405 40 0 JKABLO CCOc1cc([C@H]2[C@H]3CCCC[C@@]3(O)CC[N@H+]2CC(=O)Nc2ccc(Cl)cc2Cl)ccc1O ZINC000013607455 555531687 /nfs/dbraw/zinc/53/16/87/555531687.db2.gz ZKTHAUVEDZILFI-AYCKEJKLSA-N 1 2 493.431 5.405 40 0 JKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(C(C)(C)C)cc4)cc3n2)c(C)c1 ZINC000014272798 555770988 /nfs/dbraw/zinc/77/09/88/555770988.db2.gz CHKLXLFDBZDIIQ-UHFFFAOYSA-N 1 2 469.633 6.433 40 0 JKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=O)COc4ccc(C)cc4C)cc3n2)c(C)c1 ZINC000014272823 555771091 /nfs/dbraw/zinc/77/10/91/555771091.db2.gz SXPJUTYFSAHNSY-UHFFFAOYSA-N 1 2 471.605 5.518 40 0 JKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=O)COc4ccccc4C)cc3n2)c(C)c1 ZINC000014272819 555771123 /nfs/dbraw/zinc/77/11/23/555771123.db2.gz ROEFTICXAJEJGB-UHFFFAOYSA-N 1 2 457.578 5.209 40 0 JKABLO CCCOc1cccc(C(=O)Nc2cc3nn(-c4ccc([NH+](CC)CC)cc4C)nc3cc2C)c1 ZINC000014272833 555771460 /nfs/dbraw/zinc/77/14/60/555771460.db2.gz UQXPAOKTOKGXMJ-UHFFFAOYSA-N 1 2 471.605 5.925 40 0 JKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=O)c4cccc(OC(C)C)c4)cc3n2)c(C)c1 ZINC000014272830 555771475 /nfs/dbraw/zinc/77/14/75/555771475.db2.gz QXHAJWXCCVXOKT-UHFFFAOYSA-N 1 2 471.605 5.923 40 0 JKABLO O=C(/C=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000020352799 555780587 /nfs/dbraw/zinc/78/05/87/555780587.db2.gz DEDQFQWVPQEOGC-JXMROGBWSA-N 1 2 457.357 5.738 40 0 JKABLO O=C(NC(=S)Nc1ccc(C[NH+]2CCOCC2)cc1)c1sc2cc(Cl)ccc2c1Cl ZINC000020353406 555781213 /nfs/dbraw/zinc/78/12/13/555781213.db2.gz POLCMJJNZYJBTA-UHFFFAOYSA-N 1 2 480.442 5.167 40 0 JKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=O)COc4ccccc4Cl)cc3n2)c(C)c1 ZINC000014278587 555789133 /nfs/dbraw/zinc/78/91/33/555789133.db2.gz FQPCDXORKKUKLE-UHFFFAOYSA-N 1 2 477.996 5.554 40 0 JKABLO c1ccc(Cn2c(CCCCc3[nH+]c4ccccc4n3Cc3ccccc3)nc3ccccc32)cc1 ZINC000015277470 555892879 /nfs/dbraw/zinc/89/28/79/555892879.db2.gz WINJDROBCVCKTC-UHFFFAOYSA-N 1 2 470.620 7.048 40 0 JKABLO COc1ccccc1NC(=S)N1CC[NH+](C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000022535591 555933360 /nfs/dbraw/zinc/93/33/60/555933360.db2.gz YTSQTEBXNAONQY-UHFFFAOYSA-N 1 2 453.558 5.077 40 0 JKABLO CCc1ccc(OCC(=O)Nc2cc3nn(-c4ccc([NH+](CC)CC)cc4)nc3cc2C)cc1 ZINC000022564491 555935324 /nfs/dbraw/zinc/93/53/24/555935324.db2.gz XPLOYGSDCAPBHF-UHFFFAOYSA-N 1 2 457.578 5.155 40 0 JKABLO CC(C)c1ccc(NC(=S)N2CC[NH+](C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1 ZINC000022576057 555938652 /nfs/dbraw/zinc/93/86/52/555938652.db2.gz VEQIRKBBPGWBPZ-UHFFFAOYSA-N 1 2 465.613 6.192 40 0 JKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)c4ccccc4C)cc3n2)cc1 ZINC000022708507 555945199 /nfs/dbraw/zinc/94/51/99/555945199.db2.gz NQCVYMHWDSCQNW-UHFFFAOYSA-N 1 2 472.618 5.010 40 0 JKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(-c5ccccc5)cc4)cc3n2)cc1 ZINC000022711892 555945938 /nfs/dbraw/zinc/94/59/38/555945938.db2.gz DHEBOSIEEOYZHI-UHFFFAOYSA-N 1 2 475.596 6.494 40 0 JKABLO CCOc1ccc(C(=O)Nc2cc3nn(-c4ccc([NH+](CC)CC)cc4)nc3cc2C)cc1Cl ZINC000022714166 555947075 /nfs/dbraw/zinc/94/70/75/555947075.db2.gz WXOKGCZCAZPTSN-UHFFFAOYSA-N 1 2 477.996 5.880 40 0 JKABLO S=C(Nc1cc(Cl)ccc1Oc1ccccc1)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000022739040 555948334 /nfs/dbraw/zinc/94/83/34/555948334.db2.gz MPQSDOUBHYFYAM-UHFFFAOYSA-N 1 2 482.005 5.376 40 0 JKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)c4cccc(Cl)c4)cc3n2)cc1 ZINC000022751398 555952744 /nfs/dbraw/zinc/95/27/44/555952744.db2.gz DYRMVPPAPBUTNH-UHFFFAOYSA-N 1 2 493.036 5.355 40 0 JKABLO Cc1ccc(C(=O)N2CCN(c3nc(N[C@H](C)c4ccccc4)c4ccccc4[nH+]3)CC2)cc1 ZINC000016291932 556133573 /nfs/dbraw/zinc/13/35/73/556133573.db2.gz NPCZSIXVAULXBJ-OAQYLSRUSA-N 1 2 451.574 5.074 40 0 JKABLO CCOC(=O)[C@@H](CC)Sc1[nH+]cnc2c1c(-c1ccccc1)cn2-c1ccc(Br)cc1 ZINC000016757975 556158129 /nfs/dbraw/zinc/15/81/29/556158129.db2.gz SQVXZWNBMSUIQQ-HXUWFJFHSA-N 1 2 496.430 6.284 40 0 JKABLO CC(=O)[C@@H](C)Sc1[nH+]cnc2c1c(-c1ccccc1)cn2-c1ccc(Br)cc1 ZINC000016757984 556158156 /nfs/dbraw/zinc/15/81/56/556158156.db2.gz JPELWMQHIDGYQC-OAHLLOKOSA-N 1 2 452.377 5.920 40 0 JKABLO O=C(CSc1[nH+]cnc2c1c(-c1ccccc1)cn2-c1ccc(Cl)cc1)OCc1ccccc1 ZINC000016757928 556158166 /nfs/dbraw/zinc/15/81/66/556158166.db2.gz PSNYGJJWVBQUQL-UHFFFAOYSA-N 1 2 485.996 6.576 40 0 JKABLO CCOC(=O)[C@H](C)Sc1[nH+]cnc2c1c(-c1ccccc1)cn2-c1ccc(Br)cc1 ZINC000016757944 556158173 /nfs/dbraw/zinc/15/81/73/556158173.db2.gz WVJNBOZEJXNTIA-HNNXBMFYSA-N 1 2 482.403 5.894 40 0 JKABLO Fc1cccc(CSc2[nH+]cnc3c2c(-c2ccccc2)cn3-c2ccc(Br)cc2)c1 ZINC000016758003 556158177 /nfs/dbraw/zinc/15/81/77/556158177.db2.gz MYYLNKHFTFDYFQ-UHFFFAOYSA-N 1 2 490.401 7.281 40 0 JKABLO Cc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3S[C@@H](C)c2ccccc2)cc1Cl ZINC000016758040 556158488 /nfs/dbraw/zinc/15/84/88/556158488.db2.gz NMMVATOOAQRMFD-IBGZPJMESA-N 1 2 456.014 7.903 40 0 JKABLO CCOC(=O)C(C)(C)Sc1[nH+]cnc2c1c(-c1ccccc1)cn2-c1ccc(C)c(Cl)c1 ZINC000016758099 556158536 /nfs/dbraw/zinc/15/85/36/556158536.db2.gz YVDIGLUXQDNHDI-UHFFFAOYSA-N 1 2 466.006 6.483 40 0 JKABLO CC(C)(C)c1ccccc1OC[C@H](O)C[NH+]1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000026781413 556262554 /nfs/dbraw/zinc/26/25/54/556262554.db2.gz DRIFTWKSBVXQAX-AREMUKBSSA-N 1 2 458.646 5.131 40 0 JKABLO Cc1cc(C)cc(-n2c3nn(C[N@@H+]4CCC[C@@H]5CCCC[C@@H]54)c(=S)n3c3ccccc3c2=O)c1 ZINC000013097672 556294875 /nfs/dbraw/zinc/29/48/75/556294875.db2.gz LPLRCMBVUMISMH-REWPJTCUSA-N 1 2 473.646 5.398 40 0 JKABLO Cc1cc(C)cc(-n2c3nn(C[N@H+]4CCC[C@@H]5CCCC[C@@H]54)c(=S)n3c3ccccc3c2=O)c1 ZINC000013097672 556294878 /nfs/dbraw/zinc/29/48/78/556294878.db2.gz LPLRCMBVUMISMH-REWPJTCUSA-N 1 2 473.646 5.398 40 0 JKABLO Cc1cc(C)cc(-n2c3nn(C[N@@H+]4CCC[C@H]5CCCC[C@@H]54)c(=S)n3c3ccccc3c2=O)c1 ZINC000013097673 556294884 /nfs/dbraw/zinc/29/48/84/556294884.db2.gz LPLRCMBVUMISMH-OFNKIYASSA-N 1 2 473.646 5.398 40 0 JKABLO Cc1cc(C)cc(-n2c3nn(C[N@H+]4CCC[C@H]5CCCC[C@@H]54)c(=S)n3c3ccccc3c2=O)c1 ZINC000013097673 556294888 /nfs/dbraw/zinc/29/48/88/556294888.db2.gz LPLRCMBVUMISMH-OFNKIYASSA-N 1 2 473.646 5.398 40 0 JKABLO O=c1[nH]c(SCc2ccccc2)n[n+]2c1-c1ccccc1N[C@@H]2c1cccc(Br)c1 ZINC000027825136 556308507 /nfs/dbraw/zinc/30/85/07/556308507.db2.gz ORGVOXJAHGQXCN-NRFANRHFSA-O 1 2 478.395 5.164 40 0 JKABLO O=C1C[C@@H](c2ccc(Br)cc2)[NH2+][C@H](c2ccc(Br)cc2)[C@@H]1c1ccccc1 ZINC000019201778 556333570 /nfs/dbraw/zinc/33/35/70/556333570.db2.gz GWXVHIWWZSJFAP-MDNUFGMLSA-N 1 2 485.219 6.340 40 0 JKABLO CN(C(=O)COc1nc(C[NH+]2CCCCC2)nc2scc(-c3cccs3)c21)c1ccccc1 ZINC000028616772 556337220 /nfs/dbraw/zinc/33/72/20/556337220.db2.gz MFAWAXZVCMJGPL-UHFFFAOYSA-N 1 2 478.643 5.448 40 0 JKABLO COc1ccc2cc(C[N@H+](Cc3ccco3)[C@@H](c3nnnn3C3CCCCC3)C(C)C)c(=O)[nH]c2c1 ZINC000019445977 556348447 /nfs/dbraw/zinc/34/84/47/556348447.db2.gz MBDUXQUNTFFCDU-RUZDIDTESA-N 1 2 490.608 5.021 40 0 JKABLO COc1ccc2cc(C[N@@H+](Cc3ccco3)[C@@H](c3nnnn3C3CCCCC3)C(C)C)c(=O)[nH]c2c1 ZINC000019445977 556348451 /nfs/dbraw/zinc/34/84/51/556348451.db2.gz MBDUXQUNTFFCDU-RUZDIDTESA-N 1 2 490.608 5.021 40 0 JKABLO CCOc1ccc2[nH]c(=O)c([C@H](c3nnnn3C3CCCCC3)[N@H+](CC)Cc3ccccc3)cc2c1 ZINC000019526621 556351535 /nfs/dbraw/zinc/35/15/35/556351535.db2.gz HRXNQVAROLHLPL-AREMUKBSSA-N 1 2 486.620 5.030 40 0 JKABLO CCOc1ccc2[nH]c(=O)c([C@H](c3nnnn3C3CCCCC3)[N@@H+](CC)Cc3ccccc3)cc2c1 ZINC000019526621 556351538 /nfs/dbraw/zinc/35/15/38/556351538.db2.gz HRXNQVAROLHLPL-AREMUKBSSA-N 1 2 486.620 5.030 40 0 JKABLO Cc1cccc(N2CC[NH+](CC(=O)Nc3cc(C(F)(F)F)cc(C(F)(F)F)c3)CC2)c1C ZINC000032117932 556425693 /nfs/dbraw/zinc/42/56/93/556425693.db2.gz BQJXXMUJKTYJQM-UHFFFAOYSA-N 1 2 459.434 5.102 40 0 JKABLO C[C@@]1(O)CC[N@H+](Cc2ccccc2Cl)[C@@H](c2cccs2)[C@@H]1NC(=O)c1ccc(F)cc1 ZINC000514288730 560034375 /nfs/dbraw/zinc/03/43/75/560034375.db2.gz BDKGJEWZVWIZLM-WPFOTENUSA-N 1 2 458.986 5.037 40 0 biogenic,in-vitro JKABLO C[C@@]1(O)CC[N@@H+](Cc2ccccc2Cl)[C@@H](c2cccs2)[C@@H]1NC(=O)c1ccc(F)cc1 ZINC000514288730 560034377 /nfs/dbraw/zinc/03/43/77/560034377.db2.gz BDKGJEWZVWIZLM-WPFOTENUSA-N 1 2 458.986 5.037 40 0 biogenic,in-vitro JKABLO CC[C@@H](c1nnnn1C1CCCC1)[N@H+](Cc1cccs1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000008586264 562940940 /nfs/dbraw/zinc/94/09/40/562940940.db2.gz FKIJJURFHQMUJL-QHCPKHFHSA-N 1 2 462.623 5.153 40 0 JKABLO CC[C@@H](c1nnnn1C1CCCC1)[N@@H+](Cc1cccs1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000008586264 562940941 /nfs/dbraw/zinc/94/09/41/562940941.db2.gz FKIJJURFHQMUJL-QHCPKHFHSA-N 1 2 462.623 5.153 40 0 JKABLO CCOc1ccc2[nH]c(=O)c(C[N@H+](Cc3cccs3)[C@H](CC)c3nnnn3C(C)(C)CC)cc2c1 ZINC000008586349 562941017 /nfs/dbraw/zinc/94/10/17/562941017.db2.gz XQXVDEXQMHZCFQ-HSZRJFAPSA-N 1 2 494.665 5.273 40 0 JKABLO CCOc1ccc2[nH]c(=O)c(C[N@@H+](Cc3cccs3)[C@H](CC)c3nnnn3C(C)(C)CC)cc2c1 ZINC000008586349 562941018 /nfs/dbraw/zinc/94/10/18/562941018.db2.gz XQXVDEXQMHZCFQ-HSZRJFAPSA-N 1 2 494.665 5.273 40 0 JKABLO CCOc1ccc2[nH]c(=O)c(C[N@H+](Cc3cccs3)[C@@H](CC)c3nnnn3C(C)(C)CC)cc2c1 ZINC000008586348 562941031 /nfs/dbraw/zinc/94/10/31/562941031.db2.gz XQXVDEXQMHZCFQ-QHCPKHFHSA-N 1 2 494.665 5.273 40 0 JKABLO CCOc1ccc2[nH]c(=O)c(C[N@@H+](Cc3cccs3)[C@@H](CC)c3nnnn3C(C)(C)CC)cc2c1 ZINC000008586348 562941032 /nfs/dbraw/zinc/94/10/32/562941032.db2.gz XQXVDEXQMHZCFQ-QHCPKHFHSA-N 1 2 494.665 5.273 40 0 JKABLO CC[C@H](c1nnnn1C1CCCC1)[N@H+](Cc1cccs1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000008586326 562941035 /nfs/dbraw/zinc/94/10/35/562941035.db2.gz NXMZGDZYQKYPPT-JOCHJYFZSA-N 1 2 462.623 5.153 40 0 JKABLO CC[C@H](c1nnnn1C1CCCC1)[N@@H+](Cc1cccs1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000008586326 562941036 /nfs/dbraw/zinc/94/10/36/562941036.db2.gz NXMZGDZYQKYPPT-JOCHJYFZSA-N 1 2 462.623 5.153 40 0 JKABLO CC(C)(C)OC(=O)N1CCN(c2[nH+]cccc2[C@@H]2CCCCN2C(=O)OCc2ccccc2)CC1 ZINC000072216492 569700554 /nfs/dbraw/zinc/70/05/54/569700554.db2.gz QHZLQEAVCLNCFY-QHCPKHFHSA-N 1 2 480.609 5.003 40 0 JKABLO COc1cc(Oc2cc[nH+]c3cc(OC)c(OC)cc32)ccc1NC(=O)N[C@H](C)c1cncs1 ZINC000072319806 569702109 /nfs/dbraw/zinc/70/21/09/569702109.db2.gz ZATITKHAYUKSBY-CQSZACIVSA-N 1 2 480.546 5.392 40 0 JKABLO COc1cc(Oc2cc[nH+]c3cc(OC)c(OC)cc32)ccc1NC(=O)N[C@@H](C)c1cncs1 ZINC000072319805 569702129 /nfs/dbraw/zinc/70/21/29/569702129.db2.gz ZATITKHAYUKSBY-AWEZNQCLSA-N 1 2 480.546 5.392 40 0 JKABLO CC[C@H](c1nnnn1Cc1ccccc1)[N@H+](Cc1ccccc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000084460252 569709287 /nfs/dbraw/zinc/70/92/87/569709287.db2.gz JORKNXLKZARUNW-HHHXNRCGSA-N 1 2 478.600 5.025 40 0 JKABLO CC[C@H](c1nnnn1Cc1ccccc1)[N@@H+](Cc1ccccc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000084460252 569709289 /nfs/dbraw/zinc/70/92/89/569709289.db2.gz JORKNXLKZARUNW-HHHXNRCGSA-N 1 2 478.600 5.025 40 0 JKABLO Clc1ccc(Cn2ncc3c2nc[nH+]c3N(Cc2ccccc2)Cc2ccccc2)c(Cl)c1 ZINC000036729327 569780601 /nfs/dbraw/zinc/78/06/01/569780601.db2.gz KWWLYSZDAADRQP-UHFFFAOYSA-N 1 2 474.395 6.388 40 0 JKABLO Cc1[nH]c2ccccc2c1C(=O)[C@H](c1ccccc1)[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000037100530 569781319 /nfs/dbraw/zinc/78/13/19/569781319.db2.gz SKWINKWHSADLLS-SANMLTNESA-N 1 2 477.530 6.241 40 0 JKABLO COc1ccc(C(=O)C[C@@H](c2ccc(Br)cc2)[N@@H+]2CCc3ccccc3C2)cc1 ZINC000039379288 569809683 /nfs/dbraw/zinc/80/96/83/569809683.db2.gz AHDUGTJEYFDTLI-DEOSSOPVSA-N 1 2 450.376 5.830 40 0 JKABLO COc1ccc(C(=O)C[C@@H](c2ccc(Br)cc2)[N@H+]2CCc3ccccc3C2)cc1 ZINC000039379288 569809684 /nfs/dbraw/zinc/80/96/84/569809684.db2.gz AHDUGTJEYFDTLI-DEOSSOPVSA-N 1 2 450.376 5.830 40 0 JKABLO C[NH+](C)c1ccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccc2)cc1 ZINC000223394546 569909762 /nfs/dbraw/zinc/90/97/62/569909762.db2.gz YBZLLQJRMOXPLY-UIOOFZCWSA-N 1 2 453.615 5.111 40 0 JKABLO COc1ccc(CN2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2ccc([NH+](C)C)cc2)cc1 ZINC000223430897 569911205 /nfs/dbraw/zinc/91/12/05/569911205.db2.gz DZAMDPOJVJPYNP-RRPNLBNLSA-N 1 2 483.641 5.120 40 0 JKABLO COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2ccc([NH+](C)C)cc2)cc1 ZINC000223769759 569922708 /nfs/dbraw/zinc/92/27/08/569922708.db2.gz OBGVJILAHLCFKT-CLJLJLNGSA-N 1 2 469.614 5.124 40 0 JKABLO CC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc([NH+](C)C)cc2)cc1 ZINC000223983734 569929436 /nfs/dbraw/zinc/92/94/36/569929436.db2.gz JCTXQWSVMOUQED-SVBPBHIXSA-N 1 2 496.640 5.074 40 0 JKABLO COc1ccc(C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)cc1COc1ccccc1C(C)(C)C ZINC000224176703 569935455 /nfs/dbraw/zinc/93/54/55/569935455.db2.gz UWOBFTNSAQGSDP-JLHYYAGUSA-N 1 2 498.667 6.043 40 0 JKABLO COc1ccc(C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)cc1COc1cc(C)cc(C)c1 ZINC000224200307 569936241 /nfs/dbraw/zinc/93/62/41/569936241.db2.gz NHTDDHXCHVJTHR-JXMROGBWSA-N 1 2 470.613 5.362 40 0 JKABLO COc1ccc(C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)cc1COc1ccccc1C(C)C ZINC000224236686 569937577 /nfs/dbraw/zinc/93/75/77/569937577.db2.gz PQPAKXRMIBLVBB-FMIVXFBMSA-N 1 2 484.640 5.869 40 0 JKABLO CCOc1ccc(C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)cc1COc1ccccc1 ZINC000224368500 569942267 /nfs/dbraw/zinc/94/22/67/569942267.db2.gz ZLHSEFKXIAHKIA-FMIVXFBMSA-N 1 2 456.586 5.136 40 0 JKABLO COc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc([NH+](C)C)cc2)c1 ZINC000224539998 569947697 /nfs/dbraw/zinc/94/76/97/569947697.db2.gz VFAJOZFUERXNHI-UIOOFZCWSA-N 1 2 469.614 5.124 40 0 JKABLO CCOc1ccc(C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)cc1COc1ccccc1C(C)C ZINC000224572150 569949031 /nfs/dbraw/zinc/94/90/31/569949031.db2.gz UMXJGGUEZMSWET-JLHYYAGUSA-N 1 2 498.667 6.259 40 0 JKABLO CCOc1ccc(C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)cc1COc1ccccc1OC ZINC000224583333 569949521 /nfs/dbraw/zinc/94/95/21/569949521.db2.gz IMZFAQPWVLKAAL-FMIVXFBMSA-N 1 2 486.612 5.144 40 0 JKABLO CCOc1ccc(C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)cc1COc1cc(C)cc(C)c1C ZINC000224616441 569950971 /nfs/dbraw/zinc/95/09/71/569950971.db2.gz WUPJYSGCBQNBEC-FMIVXFBMSA-N 1 2 498.667 6.061 40 0 JKABLO COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc([NH+](C)C)cc2)c(OC)c1 ZINC000224814216 569958822 /nfs/dbraw/zinc/95/88/22/569958822.db2.gz XBMYQHFUFQKGGK-SVBPBHIXSA-N 1 2 499.640 5.133 40 0 JKABLO COc1ccc(OC)c(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc([NH+](C)C)cc2)c1 ZINC000224846791 569960175 /nfs/dbraw/zinc/96/01/75/569960175.db2.gz CKSULVKBLYVXDR-SVBPBHIXSA-N 1 2 499.640 5.133 40 0 JKABLO COc1ccc(OC)c(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2ccc([NH+](C)C)cc2)c1 ZINC000224846873 569960181 /nfs/dbraw/zinc/96/01/81/569960181.db2.gz CKSULVKBLYVXDR-RRPNLBNLSA-N 1 2 499.640 5.133 40 0 JKABLO COc1cccc(-c2cnc(-c3ccccc3C(=O)N3CC[NH+](C/C=C/c4ccccc4)CC3)o2)c1 ZINC000224905293 569962723 /nfs/dbraw/zinc/96/27/23/569962723.db2.gz KMNHHSFEJSYVOB-DHZHZOJOSA-N 1 2 479.580 5.488 40 0 JKABLO COc1cc(C[NH+]2CCN(C(=S)Nc3ccc(Oc4ccccc4)cc3)CC2)cc(OC)c1OC ZINC000225223667 569983680 /nfs/dbraw/zinc/98/36/80/569983680.db2.gz ONTUROCHXRTINM-UHFFFAOYSA-N 1 2 493.629 5.019 40 0 JKABLO CC(C)Oc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc([NH+](C)C)cc2)cc1 ZINC000225350616 569992189 /nfs/dbraw/zinc/99/21/89/569992189.db2.gz NOQGBVOBOVFDDE-IZLXSDGUSA-N 1 2 497.668 5.903 40 0 JKABLO CCCCCOc1ccc([C@H]2C(C(=O)Nc3ccc(Cl)cc3)=C(C)[NH+]=C3N=CNN32)cc1 ZINC000408704297 570023909 /nfs/dbraw/zinc/02/39/09/570023909.db2.gz LKWFIBMPDHVAIA-QFIPXVFZSA-N 1 2 451.958 5.081 40 0 JKABLO O=C(CCc1nc(-c2ccc(-c3ccccc3)cc2)no1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000225833799 570023989 /nfs/dbraw/zinc/02/39/89/570023989.db2.gz KHWJGDFRPHAKIU-JXMROGBWSA-N 1 2 478.596 5.194 40 0 JKABLO C[NH+](C)c1ccc(-n2cccc2/C=C2\SC(=O)N(Cc3c(F)cccc3Cl)C2=O)cc1 ZINC000408959538 570085299 /nfs/dbraw/zinc/08/52/99/570085299.db2.gz ARJCHHYFASBEFD-BKUYFWCQSA-N 1 2 455.942 5.572 40 0 JKABLO C=C1[NH+]=C(SCC(=O)Nc2ccc(C)cc2)N[C@H](c2cccc(Cl)c2Cl)C1C(=O)OCC ZINC000408989483 570093524 /nfs/dbraw/zinc/09/35/24/570093524.db2.gz KURNUUHZWJXOBP-OAQYLSRUSA-N 1 2 492.428 5.511 40 0 JKABLO C=C1[NH+]=C(SCc2ccc(Cl)cc2)N[C@@H](c2cccc(Cl)c2Cl)C1C(=O)OCC ZINC000408992559 570094416 /nfs/dbraw/zinc/09/44/16/570094416.db2.gz UCRBBFRQPSHEHD-IBGZPJMESA-N 1 2 469.821 6.418 40 0 JKABLO CCC[C@H](c1nnnn1C(C)(C)CC)[N@@H+](Cc1cc2cc(C)cc(C)c2[nH]c1=O)C[C@H]1CCCO1 ZINC000253500301 570101381 /nfs/dbraw/zinc/10/13/81/570101381.db2.gz AVQLVFWNECUYQN-DHIUTWEWSA-N 1 2 480.657 5.211 40 0 JKABLO CCC[C@H](c1nnnn1C(C)(C)CC)[N@H+](Cc1cc2cc(C)cc(C)c2[nH]c1=O)C[C@H]1CCCO1 ZINC000253500301 570101382 /nfs/dbraw/zinc/10/13/82/570101382.db2.gz AVQLVFWNECUYQN-DHIUTWEWSA-N 1 2 480.657 5.211 40 0 JKABLO Cc1ccc2cc(C[N@@H+](C[C@H]3CCCO3)[C@H](c3nnnn3C3CCCC3)C(C)C)c(=O)[nH]c2c1C ZINC000253500373 570101482 /nfs/dbraw/zinc/10/14/82/570101482.db2.gz IEDKJRAHJOMPDJ-NOZRDPDXSA-N 1 2 478.641 5.037 40 0 JKABLO Cc1ccc2cc(C[N@H+](C[C@H]3CCCO3)[C@H](c3nnnn3C3CCCC3)C(C)C)c(=O)[nH]c2c1C ZINC000253500373 570101483 /nfs/dbraw/zinc/10/14/83/570101483.db2.gz IEDKJRAHJOMPDJ-NOZRDPDXSA-N 1 2 478.641 5.037 40 0 JKABLO Cc1ccc2[nH]c(=O)c(C[N@@H+](C[C@H]3CCCO3)[C@H](c3nnnn3C3CCCCC3)C(C)C)cc2c1 ZINC000253500344 570101530 /nfs/dbraw/zinc/10/15/30/570101530.db2.gz DWJGXHGQFSHGNA-NOZRDPDXSA-N 1 2 478.641 5.119 40 0 JKABLO Cc1ccc2[nH]c(=O)c(C[N@H+](C[C@H]3CCCO3)[C@H](c3nnnn3C3CCCCC3)C(C)C)cc2c1 ZINC000253500344 570101531 /nfs/dbraw/zinc/10/15/31/570101531.db2.gz DWJGXHGQFSHGNA-NOZRDPDXSA-N 1 2 478.641 5.119 40 0 JKABLO CC[C@H](c1nnnn1C1CCCCC1)[N@@H+](Cc1cc2c(C)ccc(C)c2[nH]c1=O)C[C@H]1CCCO1 ZINC000253500348 570101545 /nfs/dbraw/zinc/10/15/45/570101545.db2.gz FKJCIOXKIQCYKH-ISKFKSNPSA-N 1 2 478.641 5.181 40 0 JKABLO CC[C@H](c1nnnn1C1CCCCC1)[N@H+](Cc1cc2c(C)ccc(C)c2[nH]c1=O)C[C@H]1CCCO1 ZINC000253500348 570101546 /nfs/dbraw/zinc/10/15/46/570101546.db2.gz FKJCIOXKIQCYKH-ISKFKSNPSA-N 1 2 478.641 5.181 40 0 JKABLO CCC[C@@H](c1nnnn1C1CCCCC1)[N@@H+](Cc1cc2cc(C)cc(C)c2[nH]c1=O)C[C@H]1CCCO1 ZINC000253500393 570101681 /nfs/dbraw/zinc/10/16/81/570101681.db2.gz JHQUTYYNFHTTEN-RPBOFIJWSA-N 1 2 492.668 5.571 40 0 JKABLO CCC[C@@H](c1nnnn1C1CCCCC1)[N@H+](Cc1cc2cc(C)cc(C)c2[nH]c1=O)C[C@H]1CCCO1 ZINC000253500393 570101682 /nfs/dbraw/zinc/10/16/82/570101682.db2.gz JHQUTYYNFHTTEN-RPBOFIJWSA-N 1 2 492.668 5.571 40 0 JKABLO CC[C@@H](c1nnnn1C1CCCCC1)[N@@H+](Cc1cc2ccc(C)c(C)c2[nH]c1=O)C[C@H]1CCCO1 ZINC000253500458 570101896 /nfs/dbraw/zinc/10/18/96/570101896.db2.gz PDQMPBGPOXUIFA-RPWUZVMVSA-N 1 2 478.641 5.181 40 0 JKABLO CC[C@@H](c1nnnn1C1CCCCC1)[N@H+](Cc1cc2ccc(C)c(C)c2[nH]c1=O)C[C@H]1CCCO1 ZINC000253500458 570101898 /nfs/dbraw/zinc/10/18/98/570101898.db2.gz PDQMPBGPOXUIFA-RPWUZVMVSA-N 1 2 478.641 5.181 40 0 JKABLO CCC[C@@H](c1nnnn1C1CCCCC1)[N@@H+](Cc1cc2ccc(C)c(C)c2[nH]c1=O)C[C@H]1CCCO1 ZINC000253500583 570102179 /nfs/dbraw/zinc/10/21/79/570102179.db2.gz XORUSSZGAMGYAE-RPBOFIJWSA-N 1 2 492.668 5.571 40 0 JKABLO CCC[C@@H](c1nnnn1C1CCCCC1)[N@H+](Cc1cc2ccc(C)c(C)c2[nH]c1=O)C[C@H]1CCCO1 ZINC000253500583 570102180 /nfs/dbraw/zinc/10/21/80/570102180.db2.gz XORUSSZGAMGYAE-RPBOFIJWSA-N 1 2 492.668 5.571 40 0 JKABLO CC[C@H](c1nnnn1C1CCCCC1)[N@@H+](Cc1cc2c(C)cc(C)cc2[nH]c1=O)C[C@H]1CCCO1 ZINC000253500585 570102194 /nfs/dbraw/zinc/10/21/94/570102194.db2.gz XPVPEIPACYUJPX-RCZVLFRGSA-N 1 2 478.641 5.181 40 0 JKABLO CC[C@H](c1nnnn1C1CCCCC1)[N@H+](Cc1cc2c(C)cc(C)cc2[nH]c1=O)C[C@H]1CCCO1 ZINC000253500585 570102195 /nfs/dbraw/zinc/10/21/95/570102195.db2.gz XPVPEIPACYUJPX-RCZVLFRGSA-N 1 2 478.641 5.181 40 0 JKABLO CCC(C)(C)n1nnnc1[C@@H](C(C)C)[N@@H+](Cc1cc2ccc(C)c(C)c2[nH]c1=O)C[C@H]1CCCO1 ZINC000253500546 570102218 /nfs/dbraw/zinc/10/22/18/570102218.db2.gz VSCYNKAUNIAKQA-ISKFKSNPSA-N 1 2 480.657 5.067 40 0 JKABLO CCC(C)(C)n1nnnc1[C@@H](C(C)C)[N@H+](Cc1cc2ccc(C)c(C)c2[nH]c1=O)C[C@H]1CCCO1 ZINC000253500546 570102219 /nfs/dbraw/zinc/10/22/19/570102219.db2.gz VSCYNKAUNIAKQA-ISKFKSNPSA-N 1 2 480.657 5.067 40 0 JKABLO CC(=O)c1ccc(NC(=O)C[N@@H+]2CCC[C@@H]3O[C@@H]4c5cc(Cl)ccc5OC(C)(C)[C@H]4C[C@@H]32)cc1 ZINC000257214072 570112310 /nfs/dbraw/zinc/11/23/10/570112310.db2.gz CKKIZFHMZBNHON-MTTURAJASA-N 1 2 483.008 5.263 40 0 JKABLO CC(=O)c1ccc(NC(=O)C[N@H+]2CCC[C@@H]3O[C@@H]4c5cc(Cl)ccc5OC(C)(C)[C@H]4C[C@@H]32)cc1 ZINC000257214072 570112311 /nfs/dbraw/zinc/11/23/11/570112311.db2.gz CKKIZFHMZBNHON-MTTURAJASA-N 1 2 483.008 5.263 40 0 JKABLO CC1(C)Oc2ccc(Cl)cc2[C@@H]2O[C@@H]3CCN(C(=O)c4cccc(Cn5cc[nH+]c5)c4)C[C@@H]3C[C@H]21 ZINC000257239010 570119932 /nfs/dbraw/zinc/11/99/32/570119932.db2.gz HNNKITFMVAEIEP-YLJDOISLSA-N 1 2 492.019 5.364 40 0 JKABLO Cc1nc(C[N@H+]2CCC[C@@](COc3ccc(Cl)c(C)c3)(CC(=O)N(C)Cc3ccccc3)C2)co1 ZINC000257240068 570120239 /nfs/dbraw/zinc/12/02/39/570120239.db2.gz HRXTZGKRWFUCMF-MUUNZHRXSA-N 1 2 496.051 5.655 40 0 JKABLO Cc1nc(C[N@@H+]2CCC[C@@](COc3ccc(Cl)c(C)c3)(CC(=O)N(C)Cc3ccccc3)C2)co1 ZINC000257240068 570120241 /nfs/dbraw/zinc/12/02/41/570120241.db2.gz HRXTZGKRWFUCMF-MUUNZHRXSA-N 1 2 496.051 5.655 40 0 JKABLO Cc1nc(C[N@H+]2CCC[C@](COc3ccc(Cl)c(C)c3)(CC(=O)N(C)Cc3ccccc3)C2)co1 ZINC000257240069 570120281 /nfs/dbraw/zinc/12/02/81/570120281.db2.gz HRXTZGKRWFUCMF-NDEPHWFRSA-N 1 2 496.051 5.655 40 0 JKABLO Cc1nc(C[N@@H+]2CCC[C@](COc3ccc(Cl)c(C)c3)(CC(=O)N(C)Cc3ccccc3)C2)co1 ZINC000257240069 570120282 /nfs/dbraw/zinc/12/02/82/570120282.db2.gz HRXTZGKRWFUCMF-NDEPHWFRSA-N 1 2 496.051 5.655 40 0 JKABLO O=C(c1cccc(Cn2cc[nH+]c2)c1)N1CCC[C@@H]1c1cncc(Oc2ccc(Cl)cc2)n1 ZINC000257246010 570121866 /nfs/dbraw/zinc/12/18/66/570121866.db2.gz ISBHJKYADHGNLC-HSZRJFAPSA-N 1 2 459.937 5.144 40 0 JKABLO CCCc1cnc(Nc2cc(C)[nH+]c([C@@H]3CCN(C(=O)c4[nH]nc5ccc(C)cc54)C3)c2)s1 ZINC000257245778 570121883 /nfs/dbraw/zinc/12/18/83/570121883.db2.gz IRACOQPUQSXJQP-QGZVFWFLSA-N 1 2 460.607 5.357 40 0 JKABLO CCCc1cnc(Nc2cc(C)[nH+]c([C@H]3CCN(C(=O)c4[nH]nc5ccc(C)cc54)C3)c2)s1 ZINC000257245777 570121890 /nfs/dbraw/zinc/12/18/90/570121890.db2.gz IRACOQPUQSXJQP-KRWDZBQOSA-N 1 2 460.607 5.357 40 0 JKABLO Cc1cc(Nc2cccc(C(=O)N3CC[C@@]4(O)CCCC[C@H]4[C@@H]3c3ccc(F)cc3)c2)nc(C)[nH+]1 ZINC000257246328 570121996 /nfs/dbraw/zinc/12/19/96/570121996.db2.gz ITPODQWHEJROSW-MPYJOUPCSA-N 1 2 474.580 5.485 40 0 JKABLO O=C(OCc1ccccc1)N1C[C@@H](O)[C@H]([N@H+](Cc2cccc(Cl)c2)Cc2ccc(F)cc2F)C1 ZINC000257247591 570122527 /nfs/dbraw/zinc/12/25/27/570122527.db2.gz IZPPOXJNQJXSSW-JWQCQUIFSA-N 1 2 486.946 5.002 40 0 JKABLO O=C(OCc1ccccc1)N1C[C@@H](O)[C@H]([N@@H+](Cc2cccc(Cl)c2)Cc2ccc(F)cc2F)C1 ZINC000257247591 570122528 /nfs/dbraw/zinc/12/25/28/570122528.db2.gz IZPPOXJNQJXSSW-JWQCQUIFSA-N 1 2 486.946 5.002 40 0 JKABLO CCCCC[C@]1(O)CC[N@H+](CC(=O)Nc2nc3ccc(Cl)cc3s2)C[C@@H]1Oc1ccccc1 ZINC000257257312 570125381 /nfs/dbraw/zinc/12/53/81/570125381.db2.gz KOZXVFCULGNNJW-DHLKQENFSA-N 1 2 488.053 5.353 40 0 JKABLO CCCCC[C@]1(O)CC[N@@H+](CC(=O)Nc2nc3ccc(Cl)cc3s2)C[C@@H]1Oc1ccccc1 ZINC000257257312 570125382 /nfs/dbraw/zinc/12/53/82/570125382.db2.gz KOZXVFCULGNNJW-DHLKQENFSA-N 1 2 488.053 5.353 40 0 JKABLO Cc1cc(OC[C@@]2(CC(=O)N(C)Cc3ccccc3)CCC[N@H+](Cc3nccs3)C2)ccc1Cl ZINC000257302663 570139141 /nfs/dbraw/zinc/13/91/41/570139141.db2.gz SDTUGYKNYNZXAD-HHHXNRCGSA-N 1 2 498.092 5.815 40 0 JKABLO Cc1cc(OC[C@@]2(CC(=O)N(C)Cc3ccccc3)CCC[N@@H+](Cc3nccs3)C2)ccc1Cl ZINC000257302663 570139142 /nfs/dbraw/zinc/13/91/42/570139142.db2.gz SDTUGYKNYNZXAD-HHHXNRCGSA-N 1 2 498.092 5.815 40 0 JKABLO Cc1[nH+]c2ccccc2n1CCCC(=O)N1CCCC[C@H]1c1n[nH]cc1-c1ccc(C(F)(F)F)cc1 ZINC000257308663 570141086 /nfs/dbraw/zinc/14/10/86/570141086.db2.gz TXPPNPWPZDBTDA-DEOSSOPVSA-N 1 2 495.549 6.288 40 0 JKABLO O=C(C[N@H+]1C[C@@H](c2cc(F)cc(F)c2)[C@]2(C1)CCCCC(=O)N2)N(c1ccccc1)c1ccccc1 ZINC000257310701 570141610 /nfs/dbraw/zinc/14/16/10/570141610.db2.gz UGDZPIHSICCJRN-LITSAYRRSA-N 1 2 489.566 5.158 40 0 JKABLO O=C(C[N@@H+]1C[C@@H](c2cc(F)cc(F)c2)[C@]2(C1)CCCCC(=O)N2)N(c1ccccc1)c1ccccc1 ZINC000257310701 570141611 /nfs/dbraw/zinc/14/16/11/570141611.db2.gz UGDZPIHSICCJRN-LITSAYRRSA-N 1 2 489.566 5.158 40 0 JKABLO CCCC1=C(C(=O)OCC)[C@@H](c2cccc(OCc3ccc(Cl)c(Cl)c3)c2)N2NC=NC2=[NH+]1 ZINC000409177064 570157274 /nfs/dbraw/zinc/15/72/74/570157274.db2.gz BZZHGMXRODAWPS-JOCHJYFZSA-N 1 2 487.387 5.449 40 0 JKABLO CCCC1=C(C(=O)OCC)[C@@H](c2cccc(OCc3ccc(Cl)c(Cl)c3)c2)N2NC=[NH+]C2=N1 ZINC000409177064 570157275 /nfs/dbraw/zinc/15/72/75/570157275.db2.gz BZZHGMXRODAWPS-JOCHJYFZSA-N 1 2 487.387 5.449 40 0 JKABLO CCCC1=C(C(=O)OCC)[C@H](c2ccc(OCc3cccc4ccccc43)cc2)N2NC=NC2=[NH+]1 ZINC000409179820 570158520 /nfs/dbraw/zinc/15/85/20/570158520.db2.gz NSWAZFLPNTUPJR-SANMLTNESA-N 1 2 468.557 5.295 40 0 JKABLO CCCC1=C(C(=O)OCC)[C@H](c2ccc(OCc3cccc4ccccc43)cc2)N2NC=[NH+]C2=N1 ZINC000409179820 570158521 /nfs/dbraw/zinc/15/85/21/570158521.db2.gz NSWAZFLPNTUPJR-SANMLTNESA-N 1 2 468.557 5.295 40 0 JKABLO CCCC1=C(C(=O)OCC)[C@@H](c2ccc(OCc3cccc4ccccc43)cc2)N2NC=NC2=[NH+]1 ZINC000409179816 570158547 /nfs/dbraw/zinc/15/85/47/570158547.db2.gz NSWAZFLPNTUPJR-AREMUKBSSA-N 1 2 468.557 5.295 40 0 JKABLO CCCC1=C(C(=O)OCC)[C@@H](c2ccc(OCc3cccc4ccccc43)cc2)N2NC=[NH+]C2=N1 ZINC000409179816 570158548 /nfs/dbraw/zinc/15/85/48/570158548.db2.gz NSWAZFLPNTUPJR-AREMUKBSSA-N 1 2 468.557 5.295 40 0 JKABLO CCCC1=C(C(=O)OCC)[C@@H](c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)N2NC=NC2=[NH+]1 ZINC000409180082 570158669 /nfs/dbraw/zinc/15/86/69/570158669.db2.gz VLPSOYHWCLFOCK-JOCHJYFZSA-N 1 2 487.387 5.449 40 0 JKABLO CCCC1=C(C(=O)OCC)[C@@H](c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)N2NC=[NH+]C2=N1 ZINC000409180082 570158670 /nfs/dbraw/zinc/15/86/70/570158670.db2.gz VLPSOYHWCLFOCK-JOCHJYFZSA-N 1 2 487.387 5.449 40 0 JKABLO CCCC1=C(C(=O)OCC)[C@H](c2ccc(OCc3ccc(Cl)cc3)c(OCC)c2)N2NC=NC2=[NH+]1 ZINC000409182494 570159823 /nfs/dbraw/zinc/15/98/23/570159823.db2.gz LPLKFLTXSWJGEO-DEOSSOPVSA-N 1 2 496.995 5.194 40 0 JKABLO CCCC1=C(C(=O)OCC)[C@H](c2ccc(OCc3ccc(Cl)cc3)c(OCC)c2)N2NC=[NH+]C2=N1 ZINC000409182494 570159824 /nfs/dbraw/zinc/15/98/24/570159824.db2.gz LPLKFLTXSWJGEO-DEOSSOPVSA-N 1 2 496.995 5.194 40 0 JKABLO CCOc1cc([C@@H]2Nc3ccccc3-c3c(=O)[nH]c(SCc4ccccc4Cl)n[n+]32)ccc1O ZINC000261362108 570167368 /nfs/dbraw/zinc/16/73/68/570167368.db2.gz CDQGOIZECXMTLX-HSZRJFAPSA-O 1 2 493.996 5.159 40 0 JKABLO CCCC(=O)N1c2ccccc2-c2c(=O)[nH]c(SC)n[n+]2[C@@H]1c1ccc(-c2ccc(Cl)cc2)o1 ZINC000261362029 570167401 /nfs/dbraw/zinc/16/74/01/570167401.db2.gz BVEUAFVFTXQGOA-XMMPIXPASA-O 1 2 493.996 5.466 40 0 JKABLO CSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N[C@H]2c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 ZINC000261363822 570168208 /nfs/dbraw/zinc/16/82/08/570168208.db2.gz WOYIMIRAADJSBK-OAQYLSRUSA-O 1 2 451.616 5.132 40 0 JKABLO CCCOc1ccc2ccccc2c1[C@H]1N(C(C)=O)c2ccccc2-c2c(=O)[nH]c(SCC)n[n+]21 ZINC000261363768 570168262 /nfs/dbraw/zinc/16/82/62/570168262.db2.gz IDHNLHYRDMHOPW-SANMLTNESA-O 1 2 487.605 5.104 40 0 JKABLO CCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N[C@@H]2c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 ZINC000261363866 570168274 /nfs/dbraw/zinc/16/82/74/570168274.db2.gz XURFDKKFLBQDCI-QFIPXVFZSA-O 1 2 465.643 5.522 40 0 JKABLO O=c1[nH]c(SCc2ccc(Cl)cc2)n[n+]2c1-c1ccccc1N[C@@H]2c1ccc(O)c(Cl)c1 ZINC000261364885 570168723 /nfs/dbraw/zinc/16/87/23/570168723.db2.gz OLWROVUJQYHWJN-NRFANRHFSA-O 1 2 484.388 5.414 40 0 JKABLO CCCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@H]2c1ccc(OC)c2ccccc21 ZINC000261364986 570168912 /nfs/dbraw/zinc/16/89/12/570168912.db2.gz PDTZQDBWINOKPJ-AREMUKBSSA-O 1 2 487.605 5.104 40 0 JKABLO CCCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@@H]2c1ccc(Cl)cc1Cl ZINC000261365566 570169091 /nfs/dbraw/zinc/16/90/91/570169091.db2.gz TWEOJNABXYHXNB-NRFANRHFSA-O 1 2 476.409 5.249 40 0 JKABLO CCCCOc1ccc2ccccc2c1[C@@H]1N(C(C)=O)c2ccccc2-c2c(=O)[nH]c(SC)n[n+]21 ZINC000261365836 570169273 /nfs/dbraw/zinc/16/92/73/570169273.db2.gz VQFPMCCVGSQMAA-AREMUKBSSA-O 1 2 487.605 5.104 40 0 JKABLO CCCC(=O)N1c2ccccc2-c2c(=O)[nH]c(SCC)n[n+]2[C@@H]1c1ccccc1OC1CCCC1 ZINC000261366188 570169349 /nfs/dbraw/zinc/16/93/49/570169349.db2.gz XUTXXNNQGAEVEM-AREMUKBSSA-O 1 2 491.637 5.264 40 0 JKABLO CCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@H]2c1ccc(-c2cccc(Cl)c2C)o1 ZINC000261366195 570169366 /nfs/dbraw/zinc/16/93/66/570169366.db2.gz XWECOGDDBQZDDC-XMMPIXPASA-O 1 2 493.996 5.384 40 0 JKABLO CCCCCCSc1n[n+]2c(c(=O)[nH]1)-c1cc(Br)ccc1N[C@H]2c1cccc(O)c1 ZINC000261366403 570169515 /nfs/dbraw/zinc/16/95/15/570169515.db2.gz ZMOYRDYJQRHKBI-HXUWFJFHSA-O 1 2 488.431 5.250 40 0 JKABLO Clc1cc(I)ccc1Nc1cc(-c2ccccc2)[nH+]c(NC2CCCC2)n1 ZINC000328955925 570179330 /nfs/dbraw/zinc/17/93/30/570179330.db2.gz AECHTAPPZOYSED-UHFFFAOYSA-N 1 2 490.776 5.344 40 0 JKABLO CNc1nc(Nc2ccc(Br)c(C)c2)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000328977688 570180274 /nfs/dbraw/zinc/18/02/74/570180274.db2.gz FUUPVCVJLHACPJ-UHFFFAOYSA-N 1 2 453.262 5.898 40 0 JKABLO Cc1ccccc1CNc1cc(-c2cccc(OC(F)(F)F)c2)[nH+]c(NC2CCCCC2)n1 ZINC000328976791 570180308 /nfs/dbraw/zinc/18/03/08/570180308.db2.gz FPYLHUGJUNHMCN-UHFFFAOYSA-N 1 2 456.512 5.551 40 0 JKABLO CC(C)Nc1nc(NCc2cccc(Br)c2)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000328981202 570180392 /nfs/dbraw/zinc/18/03/92/570180392.db2.gz GTCXQXYGTUDZOI-UHFFFAOYSA-N 1 2 481.316 5.081 40 0 JKABLO CC[C@H](C)Nc1nc(NCc2cccc(Br)c2)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000328986218 570180588 /nfs/dbraw/zinc/18/05/88/570180588.db2.gz HWWMUOYISZAVIK-AWEZNQCLSA-N 1 2 495.343 5.471 40 0 JKABLO CC(C)Nc1nc(Nc2ccc(C(F)(F)F)cc2Br)cc(-c2ccccc2)[nH+]1 ZINC000328991839 570180838 /nfs/dbraw/zinc/18/08/38/570180838.db2.gz ISLHVPMQPPHMFK-UHFFFAOYSA-N 1 2 451.290 5.333 40 0 JKABLO COc1ccccc1CNc1cc(-c2cccc(OC(F)(F)F)c2)[nH+]c(NC2CCCCC2)n1 ZINC000328996628 570180938 /nfs/dbraw/zinc/18/09/38/570180938.db2.gz JKRSJRAJXMWDCH-UHFFFAOYSA-N 1 2 472.511 5.251 40 0 JKABLO FC(F)(F)c1ccc(Nc2cc(-c3ccccc3)[nH+]c(NC3CCCCC3)n2)c(C(F)(F)F)c1 ZINC000328998549 570181095 /nfs/dbraw/zinc/18/10/95/570181095.db2.gz JSPMIEOMZWXAIL-UHFFFAOYSA-N 1 2 480.456 6.513 40 0 JKABLO FC(F)(F)Oc1cccc(-c2cc(NCc3cccc(Cl)c3)nc(NC3CCCCC3)[nH+]2)c1 ZINC000329041785 570182771 /nfs/dbraw/zinc/18/27/71/570182771.db2.gz SJTMYUDOJDANRI-UHFFFAOYSA-N 1 2 476.930 5.896 40 0 JKABLO OCCCNc1nc(Nc2ccc(C(F)(F)F)cc2)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000329048493 570183022 /nfs/dbraw/zinc/18/30/22/570183022.db2.gz ULGGADBCQJJTAQ-UHFFFAOYSA-N 1 2 472.389 5.599 40 0 JKABLO CC(C)[C@@H](CO)Nc1nc(NCc2ccc(Cl)cc2)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000329047857 570183031 /nfs/dbraw/zinc/18/30/31/570183031.db2.gz UHUMHDKQUDSPHV-HXUWFJFHSA-N 1 2 480.918 5.737 40 0 JKABLO CCNc1nc(Nc2cccc(Br)c2C)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000329053891 570183128 /nfs/dbraw/zinc/18/31/28/570183128.db2.gz VHJBNKLZNRSXQR-UHFFFAOYSA-N 1 2 467.289 5.132 40 0 JKABLO CCNc1nc(Nc2cccc(SC(F)(F)F)c2)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000329053312 570183133 /nfs/dbraw/zinc/18/31/33/570183133.db2.gz VFPNYLWNIGBZLR-UHFFFAOYSA-N 1 2 474.430 5.673 40 0 JKABLO CC[C@@H](C)Nc1nc(Nc2ccc(C(F)(F)F)cc2Br)cc(-c2ccccc2)[nH+]1 ZINC000329063849 570183425 /nfs/dbraw/zinc/18/34/25/570183425.db2.gz XFRWXEONISWQJY-CYBMUJFWSA-N 1 2 465.317 5.723 40 0 JKABLO CC(C)c1nc(Nc2cccc(Cl)c2)cc(N2CCc3cc(OC(F)(F)F)ccc3C2)[nH+]1 ZINC000329069659 570183823 /nfs/dbraw/zinc/18/38/23/570183823.db2.gz YYZPLBZCNSEVQR-UHFFFAOYSA-N 1 2 462.903 6.458 40 0 JKABLO CC(C)c1nc(N2CCc3cc(OC(F)(F)F)ccc3C2)cc(Nc2cccc(Cl)c2)[nH+]1 ZINC000329069659 570183824 /nfs/dbraw/zinc/18/38/24/570183824.db2.gz YYZPLBZCNSEVQR-UHFFFAOYSA-N 1 2 462.903 6.458 40 0 JKABLO FC(F)(F)Oc1cccc(-c2cc(NCc3ccccc3Cl)nc(NC3CCCC3)[nH+]2)c1 ZINC000329070857 570183836 /nfs/dbraw/zinc/18/38/36/570183836.db2.gz ZKJLGEIKZMPSPQ-UHFFFAOYSA-N 1 2 462.903 5.506 40 0 JKABLO COc1ccc(C2=[NH+]CCc3cc(OC)c(OCc4ccccc4)cc32)cc1OCc1ccccc1 ZINC000003847248 194364388 /nfs/dbraw/zinc/36/43/88/194364388.db2.gz DOGNWOCEJRTOLZ-UHFFFAOYSA-N 1 2 479.576 6.255 40 0 JKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=O)/C=C/c4ccc(OC)cc4)cc3n2)c(C)c1 ZINC000020611083 195184479 /nfs/dbraw/zinc/18/44/79/195184479.db2.gz CPLXREQARNIXPN-XNTDXEJSSA-N 1 2 469.589 5.544 40 0 JKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=O)c4c(F)c(F)c(F)c(F)c4F)cc3n2)cc1 ZINC000020611025 195184557 /nfs/dbraw/zinc/18/45/57/195184557.db2.gz IDQHJJIEZUJQTI-UHFFFAOYSA-N 1 2 489.448 5.523 40 0 JKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=O)COc4ccccc4F)cc3n2)c(C)c1 ZINC000020611097 195184637 /nfs/dbraw/zinc/18/46/37/195184637.db2.gz XDJAWZFGOLBNOJ-UHFFFAOYSA-N 1 2 461.541 5.040 40 0 JKABLO COc1cc([C@H]2C(C(=O)Nc3ccc(Cl)cc3)=C(C)Nc3[nH+]c4ccccc4n32)ccc1O ZINC000020797558 195226144 /nfs/dbraw/zinc/22/61/44/195226144.db2.gz TZFSYINDJHGTKU-QHCPKHFHSA-N 1 2 460.921 5.332 40 0 JKABLO CC1=C(C(=O)Nc2ccc(F)cc2)[C@@H](c2ccc(Cl)cc2Cl)n2c3ccccc3[nH+]c2N1 ZINC000020969958 195257342 /nfs/dbraw/zinc/25/73/42/195257342.db2.gz SZOSBVIDSUAISA-JOCHJYFZSA-N 1 2 467.331 6.410 40 0 JKABLO CCc1ccc(NC(=O)C2=C(C)Nc3[nH+]c4ccccc4n3[C@@H]2c2cccc(Br)c2)cc1 ZINC000020970106 195257421 /nfs/dbraw/zinc/25/74/21/195257421.db2.gz FDLJEERJZXWOSI-XMMPIXPASA-N 1 2 487.401 6.289 40 0 JKABLO COc1ccc(NC(=O)C2=C(C)Nc3[nH+]c4ccccc4n3[C@@H]2c2ccc(Cl)cc2Cl)cc1 ZINC000020970285 195257620 /nfs/dbraw/zinc/25/76/20/195257620.db2.gz VKULXECAMIGQBG-HSZRJFAPSA-N 1 2 479.367 6.279 40 0 JKABLO CCOc1cc([C@H]2C(C(=O)Nc3ccc(CC)cc3)=C(C)Nc3[nH+]c4ccccc4n32)ccc1O ZINC000020970236 195257627 /nfs/dbraw/zinc/25/76/27/195257627.db2.gz XYPODZRLOWZWMH-SANMLTNESA-N 1 2 468.557 5.631 40 0 JKABLO CCOc1ccc(NC(=O)C2=C(C)Nc3[nH+]c4ccccc4n3[C@H]2c2ccccc2OC)cc1 ZINC000020970385 195257705 /nfs/dbraw/zinc/25/77/05/195257705.db2.gz SJUNOWFSXYGMLS-VWLOTQADSA-N 1 2 454.530 5.371 40 0 JKABLO CCOc1ccc(NC(=O)C2=C(C)Nc3[nH+]c4ccccc4n3[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000020970334 195257767 /nfs/dbraw/zinc/25/77/67/195257767.db2.gz QNGMXYOAQCSDIG-XMMPIXPASA-N 1 2 458.949 6.016 40 0 JKABLO CCOc1cc([C@@H]2C(C(=O)Nc3ccc(CC)cc3)=C(C)Nc3[nH+]c4ccccc4n32)ccc1O ZINC000020970232 195257779 /nfs/dbraw/zinc/25/77/79/195257779.db2.gz XYPODZRLOWZWMH-AREMUKBSSA-N 1 2 468.557 5.631 40 0 JKABLO CCc1ccc(NC(=O)C2=C(C)Nc3[nH+]c4ccccc4n3[C@H]2c2ccc(OC)cc2OC)cc1 ZINC000020970214 195257789 /nfs/dbraw/zinc/25/77/89/195257789.db2.gz DXXFLGRLYKVDBX-SANMLTNESA-N 1 2 468.557 5.544 40 0 JKABLO COc1ccc([C@@H]2C(C(=O)Nc3ccccc3Cl)=C(C)Nc3[nH+]c4ccccc4n32)cc1OC ZINC000021005515 195265836 /nfs/dbraw/zinc/26/58/36/195265836.db2.gz XNOOLEPLJPXNDR-XMMPIXPASA-N 1 2 474.948 5.635 40 0 JKABLO CC[N@H+](Cc1ccccc1)[C@H](c1nnnn1C1CCCCC1)c1cc2c(C)cc(C)cc2[nH]c1=O ZINC000057584897 195350948 /nfs/dbraw/zinc/35/09/48/195350948.db2.gz VCZHEPUSQZWFJA-SANMLTNESA-N 1 2 470.621 5.248 40 0 JKABLO CC[N@@H+](Cc1ccccc1)[C@H](c1nnnn1C1CCCCC1)c1cc2c(C)cc(C)cc2[nH]c1=O ZINC000057584897 195350952 /nfs/dbraw/zinc/35/09/52/195350952.db2.gz VCZHEPUSQZWFJA-SANMLTNESA-N 1 2 470.621 5.248 40 0 JKABLO CC[N@H+](Cc1ccccc1)[C@@H](c1nnnn1C1CCCCC1)c1cc2c(C)ccc(C)c2[nH]c1=O ZINC000057584888 195351025 /nfs/dbraw/zinc/35/10/25/195351025.db2.gz ZEIPDZCNGIWYTB-AREMUKBSSA-N 1 2 470.621 5.248 40 0 JKABLO CC[N@@H+](Cc1ccccc1)[C@@H](c1nnnn1C1CCCCC1)c1cc2c(C)ccc(C)c2[nH]c1=O ZINC000057584888 195351028 /nfs/dbraw/zinc/35/10/28/195351028.db2.gz ZEIPDZCNGIWYTB-AREMUKBSSA-N 1 2 470.621 5.248 40 0 JKABLO Cc1ccc(C)c2[nH]c(=O)c([C@H](c3nnnn3C3CCCC3)[N@H+]3CC=C(c4ccc(F)cc4)CC3)cc12 ZINC000057589856 195351762 /nfs/dbraw/zinc/35/17/62/195351762.db2.gz VVFQUVKEVKJLMA-HHHXNRCGSA-N 1 2 498.606 5.264 40 0 JKABLO Cc1ccc(C)c2[nH]c(=O)c([C@H](c3nnnn3C3CCCC3)[N@@H+]3CC=C(c4ccc(F)cc4)CC3)cc12 ZINC000057589856 195351765 /nfs/dbraw/zinc/35/17/65/195351765.db2.gz VVFQUVKEVKJLMA-HHHXNRCGSA-N 1 2 498.606 5.264 40 0 JKABLO CCC(C)(C)n1nnnc1C1([N@H+](Cc2ccco2)Cc2cc3cc(C)ccc3[nH]c2=O)CCCCC1 ZINC000057611385 195353639 /nfs/dbraw/zinc/35/36/39/195353639.db2.gz YSGFUJKVTVJMHJ-UHFFFAOYSA-N 1 2 488.636 5.423 40 0 JKABLO CCC(C)(C)n1nnnc1C1([N@@H+](Cc2ccco2)Cc2cc3cc(C)ccc3[nH]c2=O)CCCCC1 ZINC000057611385 195353641 /nfs/dbraw/zinc/35/36/41/195353641.db2.gz YSGFUJKVTVJMHJ-UHFFFAOYSA-N 1 2 488.636 5.423 40 0 JKABLO CCc1ccc2[nH]c(=O)c(C[N@@H+](Cc3ccccc3)[C@H](CC)c3nnnn3C(C)(C)CC)cc2c1 ZINC000057640570 195354088 /nfs/dbraw/zinc/35/40/88/195354088.db2.gz BCFIAWXPOPOCFH-RUZDIDTESA-N 1 2 472.637 5.376 40 0 JKABLO CCc1ccc2[nH]c(=O)c(C[N@H+](Cc3ccccc3)[C@H](CC)c3nnnn3C(C)(C)CC)cc2c1 ZINC000057640570 195354089 /nfs/dbraw/zinc/35/40/89/195354089.db2.gz BCFIAWXPOPOCFH-RUZDIDTESA-N 1 2 472.637 5.376 40 0 JKABLO CCc1ccc2[nH]c(=O)c(C[N@@H+](Cc3ccccc3)[C@@H](CC)c3nnnn3Cc3ccccc3)cc2c1 ZINC000057640616 195354143 /nfs/dbraw/zinc/35/41/43/195354143.db2.gz GAYPDNVRHPXIDQ-NDEPHWFRSA-N 1 2 492.627 5.279 40 0 JKABLO CCc1ccc2[nH]c(=O)c(C[N@H+](Cc3ccccc3)[C@@H](CC)c3nnnn3Cc3ccccc3)cc2c1 ZINC000057640616 195354145 /nfs/dbraw/zinc/35/41/45/195354145.db2.gz GAYPDNVRHPXIDQ-NDEPHWFRSA-N 1 2 492.627 5.279 40 0 JKABLO CC[C@H](c1nnnn1C(C)(C)CC)[N@H+](Cc1ccc(C)cc1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000057640788 195354576 /nfs/dbraw/zinc/35/45/76/195354576.db2.gz XPUXHQXMVGDLQS-RUZDIDTESA-N 1 2 472.637 5.430 40 0 JKABLO CC[C@H](c1nnnn1C(C)(C)CC)[N@@H+](Cc1ccc(C)cc1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000057640788 195354579 /nfs/dbraw/zinc/35/45/79/195354579.db2.gz XPUXHQXMVGDLQS-RUZDIDTESA-N 1 2 472.637 5.430 40 0 JKABLO CC[C@H](c1nnnn1C1CCCC1)[N@H+](Cc1ccc(C)cc1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000057640800 195354612 /nfs/dbraw/zinc/35/46/12/195354612.db2.gz LERCDPCXMUMFMS-AREMUKBSSA-N 1 2 470.621 5.400 40 0 JKABLO CC[C@H](c1nnnn1C1CCCC1)[N@@H+](Cc1ccc(C)cc1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000057640800 195354613 /nfs/dbraw/zinc/35/46/13/195354613.db2.gz LERCDPCXMUMFMS-AREMUKBSSA-N 1 2 470.621 5.400 40 0 JKABLO CC[C@@H](c1nnnn1C(C)(C)CC)[N@H+](Cc1ccc(F)cc1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000057641431 195355571 /nfs/dbraw/zinc/35/55/71/195355571.db2.gz KUYKRWRNPXPGTC-VWLOTQADSA-N 1 2 490.627 5.569 40 0 JKABLO CC[C@@H](c1nnnn1C(C)(C)CC)[N@@H+](Cc1ccc(F)cc1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000057641431 195355572 /nfs/dbraw/zinc/35/55/72/195355572.db2.gz KUYKRWRNPXPGTC-VWLOTQADSA-N 1 2 490.627 5.569 40 0 JKABLO CC[C@H](c1nnnn1C1CCCCC1)[N@H+](Cc1ccccc1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000057641459 195355662 /nfs/dbraw/zinc/35/56/62/195355662.db2.gz XHCXPPQLBQZKGX-HHHXNRCGSA-N 1 2 484.648 5.790 40 0 JKABLO CC[C@H](c1nnnn1C1CCCCC1)[N@@H+](Cc1ccccc1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000057641459 195355664 /nfs/dbraw/zinc/35/56/64/195355664.db2.gz XHCXPPQLBQZKGX-HHHXNRCGSA-N 1 2 484.648 5.790 40 0 JKABLO CC[C@@H](c1nnnn1C(C)(C)C)[N@H+](Cc1ccc(C)cc1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000057641825 195355797 /nfs/dbraw/zinc/35/57/97/195355797.db2.gz OWVSPIJPVJDNAF-VWLOTQADSA-N 1 2 472.637 5.348 40 0 JKABLO CC[C@@H](c1nnnn1C(C)(C)C)[N@@H+](Cc1ccc(C)cc1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000057641825 195355799 /nfs/dbraw/zinc/35/57/99/195355799.db2.gz OWVSPIJPVJDNAF-VWLOTQADSA-N 1 2 472.637 5.348 40 0 JKABLO CC[C@@H](c1nnnn1C1CCCC1)[N@H+](Cc1ccc(C)cc1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000057641849 195355869 /nfs/dbraw/zinc/35/58/69/195355869.db2.gz AAYGXCDOKXESRU-MHZLTWQESA-N 1 2 484.648 5.708 40 0 JKABLO CC[C@@H](c1nnnn1C1CCCC1)[N@@H+](Cc1ccc(C)cc1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000057641849 195355872 /nfs/dbraw/zinc/35/58/72/195355872.db2.gz AAYGXCDOKXESRU-MHZLTWQESA-N 1 2 484.648 5.708 40 0 JKABLO CC[C@@H](c1nnnn1Cc1ccccc1)[N@H+](Cc1ccccc1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000057641795 195356005 /nfs/dbraw/zinc/35/60/05/195356005.db2.gz UMXQFZFLECUFRE-NDEPHWFRSA-N 1 2 492.627 5.333 40 0 JKABLO CC[C@@H](c1nnnn1Cc1ccccc1)[N@@H+](Cc1ccccc1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000057641795 195356007 /nfs/dbraw/zinc/35/60/07/195356007.db2.gz UMXQFZFLECUFRE-NDEPHWFRSA-N 1 2 492.627 5.333 40 0 JKABLO CC[C@H](c1nnnn1C1CCCCC1)[N@H+](Cc1cccs1)Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000057642062 195356318 /nfs/dbraw/zinc/35/63/18/195356318.db2.gz GYOYYYNIAWUZOB-XMMPIXPASA-N 1 2 490.677 5.852 40 0 JKABLO CC[C@H](c1nnnn1C1CCCCC1)[N@@H+](Cc1cccs1)Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000057642062 195356321 /nfs/dbraw/zinc/35/63/21/195356321.db2.gz GYOYYYNIAWUZOB-XMMPIXPASA-N 1 2 490.677 5.852 40 0 JKABLO CC[C@H](c1nnnn1C(C)(C)CC)[N@H+](Cc1ccc(C)cc1)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000057642327 195356408 /nfs/dbraw/zinc/35/64/08/195356408.db2.gz STVDIPDOSWLJIK-RUZDIDTESA-N 1 2 486.664 5.738 40 0 JKABLO CC[C@H](c1nnnn1C(C)(C)CC)[N@@H+](Cc1ccc(C)cc1)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000057642327 195356412 /nfs/dbraw/zinc/35/64/12/195356412.db2.gz STVDIPDOSWLJIK-RUZDIDTESA-N 1 2 486.664 5.738 40 0 JKABLO CC[C@@H](c1nnnn1Cc1ccccc1)[N@H+](Cc1ccccc1)Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000057642066 195356462 /nfs/dbraw/zinc/35/64/62/195356462.db2.gz ZPNYRLRAOXTBPI-MHZLTWQESA-N 1 2 492.627 5.333 40 0 JKABLO CC[C@@H](c1nnnn1Cc1ccccc1)[N@@H+](Cc1ccccc1)Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000057642066 195356463 /nfs/dbraw/zinc/35/64/63/195356463.db2.gz ZPNYRLRAOXTBPI-MHZLTWQESA-N 1 2 492.627 5.333 40 0 JKABLO O=C(C[NH+]1CCC(NC(=O)c2ccccc2F)CC1)N1c2ccccc2Sc2ccc(Cl)cc21 ZINC000057681250 195357375 /nfs/dbraw/zinc/35/73/75/195357375.db2.gz JSQCKZXLNRHKDY-UHFFFAOYSA-N 1 2 496.007 5.503 40 0 JKABLO CCOC(=O)[C@H]1CCC[N@@H+](c2ccc(NCc3cc4cc(C(C)(C)C)ccc4[nH]c3=O)cc2)C1 ZINC000057718132 195357927 /nfs/dbraw/zinc/35/79/27/195357927.db2.gz CGNAWAYLAYSBBT-IBGZPJMESA-N 1 2 461.606 5.217 40 0 JKABLO CCOC(=O)[C@H]1CCC[N@H+](c2ccc(NCc3cc4cc(C(C)(C)C)ccc4[nH]c3=O)cc2)C1 ZINC000057718132 195357930 /nfs/dbraw/zinc/35/79/30/195357930.db2.gz CGNAWAYLAYSBBT-IBGZPJMESA-N 1 2 461.606 5.217 40 0 JKABLO CC(C)(C)c1ccc(C(=O)Nc2cccc(NC(=O)c3ccc(C[NH+]4CCOCC4)cc3)c2)cc1 ZINC000020488915 519021031 /nfs/dbraw/zinc/02/10/31/519021031.db2.gz KIJZLARJUKPCHQ-UHFFFAOYSA-N 1 2 471.601 5.321 40 0 JKABLO COc1ccc(CC(=O)Nc2c[nH+]c(C)n2-c2nc(-c3ccc(Cl)cc3)cs2)cc1OC ZINC000041124328 523911383 /nfs/dbraw/zinc/91/13/83/523911383.db2.gz CYQAOELSZVUPMM-UHFFFAOYSA-N 1 2 468.966 5.156 40 0 JKABLO CCc1cccc(C)c1N(C(=O)Cn1c(CCc2ccccc2)[nH+]c2ccccc21)[C@H](C)COC ZINC000035167718 524062175 /nfs/dbraw/zinc/06/21/75/524062175.db2.gz FFRHWEYRXAFPTC-HSZRJFAPSA-N 1 2 469.629 5.760 40 0 JKABLO Clc1ccc(/N=c2\scc(-c3ccc(Cl)cc3Cl)n2CC[NH+]2CCOCC2)cc1 ZINC000027525651 526940571 /nfs/dbraw/zinc/94/05/71/526940571.db2.gz WITFUPCZTGKTES-DAFNUICNSA-N 1 2 468.837 5.741 40 0 JKABLO Cc1cccc(C)c1NC(=O)CSc1nnc(CCc2[nH]c3ccccc3[nH+]2)n1-c1ccccc1 ZINC000000924627 553859955 /nfs/dbraw/zinc/85/99/55/553859955.db2.gz HCVBCDXWGPOIBC-UHFFFAOYSA-N 1 2 482.613 5.276 40 0 JKABLO COc1ccc(CN(C(=O)CSc2[nH+]cnc3c2cnn3-c2ccccc2)c2ccc(F)cc2)cc1 ZINC000000929837 553867724 /nfs/dbraw/zinc/86/77/24/553867724.db2.gz XWDURSCZOSVLHB-UHFFFAOYSA-N 1 2 499.571 5.289 40 0 JKABLO COc1ccc(C(=O)Nc2sc(C)c(C)c2[C@@H](c2ccccc2OC)[NH+]2CCOCC2)cc1 ZINC000001236169 553936940 /nfs/dbraw/zinc/93/69/40/553936940.db2.gz XLPCZLIXMNIMDM-XMMPIXPASA-N 1 2 466.603 5.056 40 0 JKABLO O=C(C[NH+]1CCN(c2nc(-c3ccc(F)cc3)cs2)CC1)N(c1ccccc1)c1ccccc1 ZINC000001337151 553951519 /nfs/dbraw/zinc/95/15/19/553951519.db2.gz UJHJONUUZOMSHR-UHFFFAOYSA-N 1 2 472.589 5.436 40 0 JKABLO Cc1ccc(-n2ncc3c2nc[nH+]c3SCC(=O)N2c3ccccc3Sc3ccccc32)cc1C ZINC000001346464 553955342 /nfs/dbraw/zinc/95/53/42/553955342.db2.gz NDSFBJCENKXYHL-UHFFFAOYSA-N 1 2 495.633 6.354 40 0 JKABLO Cc1ccc(-n2ncc3c2nc[nH+]c3SCC(=O)Nc2ccccc2-c2ccccc2)cc1C ZINC000001346428 553955353 /nfs/dbraw/zinc/95/53/53/553955353.db2.gz SIGWMRRXSMFKTB-UHFFFAOYSA-N 1 2 465.582 5.830 40 0 JKABLO COc1ccc(-n2ncc3c2nc[nH+]c3SCC(=O)N(Cc2ccccc2)c2ccccc2)cc1 ZINC000001346630 553955857 /nfs/dbraw/zinc/95/58/57/553955857.db2.gz ZELAOBKSFQLVTO-UHFFFAOYSA-N 1 2 481.581 5.150 40 0 JKABLO CCc1ccc2[nH]c(=O)c(C[N@@H+](Cc3cccs3)[C@H](CC)c3nnnn3C(C)(C)CC)cc2c1 ZINC000001374019 553962466 /nfs/dbraw/zinc/96/24/66/553962466.db2.gz OTZKSYCOBVJQNL-HSZRJFAPSA-N 1 2 478.666 5.437 40 0 JKABLO CCc1ccc2[nH]c(=O)c(C[N@H+](Cc3cccs3)[C@H](CC)c3nnnn3C(C)(C)CC)cc2c1 ZINC000001374019 553962468 /nfs/dbraw/zinc/96/24/68/553962468.db2.gz OTZKSYCOBVJQNL-HSZRJFAPSA-N 1 2 478.666 5.437 40 0 JKABLO CC[C@@H](c1nnnn1C(C)(C)CC)[N@H+](Cc1ccc(OC)cc1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000001374121 553962785 /nfs/dbraw/zinc/96/27/85/553962785.db2.gz XUVZDHQZSBNLCJ-VWLOTQADSA-N 1 2 488.636 5.130 40 0 JKABLO CC[C@@H](c1nnnn1C(C)(C)CC)[N@@H+](Cc1ccc(OC)cc1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000001374121 553962787 /nfs/dbraw/zinc/96/27/87/553962787.db2.gz XUVZDHQZSBNLCJ-VWLOTQADSA-N 1 2 488.636 5.130 40 0 JKABLO CCc1ccc2[nH]c(=O)c(C[N@@H+](Cc3ccc(C)cc3)[C@H](CC)c3nnnn3Cc3ccco3)cc2c1 ZINC000001374054 553962807 /nfs/dbraw/zinc/96/28/07/553962807.db2.gz YHOZGPXAUJWDPP-HHHXNRCGSA-N 1 2 496.615 5.180 40 0 JKABLO CCc1ccc2[nH]c(=O)c(C[N@H+](Cc3ccc(C)cc3)[C@H](CC)c3nnnn3Cc3ccco3)cc2c1 ZINC000001374054 553962808 /nfs/dbraw/zinc/96/28/08/553962808.db2.gz YHOZGPXAUJWDPP-HHHXNRCGSA-N 1 2 496.615 5.180 40 0 JKABLO CC[C@@H](c1nnnn1C1CCCC1)[N@H+](Cc1cccs1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000001375254 553963494 /nfs/dbraw/zinc/96/34/94/553963494.db2.gz BWBGLMQYGSFQOV-DEOSSOPVSA-N 1 2 476.650 5.462 40 0 JKABLO CC[C@@H](c1nnnn1C1CCCC1)[N@@H+](Cc1cccs1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000001375254 553963500 /nfs/dbraw/zinc/96/35/00/553963500.db2.gz BWBGLMQYGSFQOV-DEOSSOPVSA-N 1 2 476.650 5.462 40 0 JKABLO CC[C@@H](c1nnnn1C(C)(C)CC)[N@H+](Cc1cccs1)Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000001375420 553963595 /nfs/dbraw/zinc/96/35/95/553963595.db2.gz VYRGYCQBBZLLAJ-QFIPXVFZSA-N 1 2 478.666 5.492 40 0 JKABLO CC[C@@H](c1nnnn1C(C)(C)CC)[N@@H+](Cc1cccs1)Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000001375420 553963601 /nfs/dbraw/zinc/96/36/01/553963601.db2.gz VYRGYCQBBZLLAJ-QFIPXVFZSA-N 1 2 478.666 5.492 40 0 JKABLO Cc1cc(N2CCCCC2)nc2ccc(Cc3ccc4[nH+]c(N5CCCCC5)cc(C)c4c3)cc12 ZINC000001592019 553979898 /nfs/dbraw/zinc/97/98/98/553979898.db2.gz XVAZCKPKEMTQDI-UHFFFAOYSA-N 1 2 464.657 6.971 40 0 in-vitro JKABLO c1ccc(C2=CN(C3CCCCCCC3)[C@@](c3ccccc3)(C3CCCCCCC3)C=[NH+]2)cc1 ZINC000005202747 554487156 /nfs/dbraw/zinc/48/71/56/554487156.db2.gz CZMDNJULRJCFNG-JGCGQSQUSA-N 1 2 454.702 8.740 40 0 JKABLO CC(=O)C1=NN(c2ccc(Cl)cc2)[C@@H](c2c[nH]c3ccccc32)N1c1ccc([NH+]2CCCC2)cc1 ZINC000005943833 554496952 /nfs/dbraw/zinc/49/69/52/554496952.db2.gz KKAAYXDEEPQWPN-NDEPHWFRSA-N 1 2 484.003 6.349 40 0 JKABLO CCc1ccc2[nH]c(=O)c([C@H](c3nnnn3C3CCCC3)[NH+]3CCC(Cc4ccccc4)CC3)cc2c1 ZINC000006198206 554519394 /nfs/dbraw/zinc/51/93/94/554519394.db2.gz PSWNYLQTOBPOFO-MUUNZHRXSA-N 1 2 496.659 5.236 40 0 JKABLO Cc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C3CCCCC3)[NH+]3CCC(Cc4ccccc4)CC3)cc2c1 ZINC000006408655 554534713 /nfs/dbraw/zinc/53/47/13/554534713.db2.gz HXXRYWGVWSGJHT-NDEPHWFRSA-N 1 2 496.659 5.372 40 0 JKABLO Cc1ccc2cc([C@@H](c3nnnn3C3CCCCC3)[NH+]3CCC(Cc4ccccc4)CC3)c(=O)[nH]c2c1 ZINC000006409850 554534975 /nfs/dbraw/zinc/53/49/75/554534975.db2.gz NWVJHKHORNLEJT-NDEPHWFRSA-N 1 2 496.659 5.372 40 0 JKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(Br)o4)cc3n2)c(C)c1 ZINC000008900399 554792550 /nfs/dbraw/zinc/79/25/50/554792550.db2.gz QLVJCTAQIATEHT-UHFFFAOYSA-N 1 2 482.382 5.491 40 0 JKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=O)C(C)(C)Oc4ccc(Cl)cc4)cc3n2)cc1 ZINC000008900388 554792584 /nfs/dbraw/zinc/79/25/84/554792584.db2.gz DUYNCSGKIWAAQC-UHFFFAOYSA-N 1 2 492.023 6.025 40 0 JKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(Cl)cc4Cl)cc3n2)c(C)c1 ZINC000008900451 554792848 /nfs/dbraw/zinc/79/28/48/554792848.db2.gz JUKZVDFHTNUSEU-UHFFFAOYSA-N 1 2 482.415 6.443 40 0 JKABLO O=C1C[C@H](c2ccc(Br)cc2)[NH2+][C@H](c2ccc(Br)cc2)[C@@H]1c1ccccc1 ZINC000013152595 555359110 /nfs/dbraw/zinc/35/91/10/555359110.db2.gz GWXVHIWWZSJFAP-YMPZKCBVSA-N 1 2 485.219 6.340 40 0 aggregator JKABLO Clc1ccc([C@]2(Cn3cc[nH+]c3)OC[C@H](COc3ccc(-c4ccccc4)cc3)O2)c(Cl)c1 ZINC000013207499 555369504 /nfs/dbraw/zinc/36/95/04/555369504.db2.gz GNZHVEIGGFMLSP-JYFHCDHNSA-N 1 2 481.379 6.204 40 0 in-man JKABLO CCOc1ccc2[nH]c(=O)c(C[N@H+](Cc3ccc(C)cc3)[C@@H](CC)c3nnnn3C(C)(C)C)cc2c1 ZINC000013494430 555404585 /nfs/dbraw/zinc/40/45/85/555404585.db2.gz JIPXOTANNMCUGQ-VWLOTQADSA-N 1 2 488.636 5.130 40 0 JKABLO CCOc1ccc2[nH]c(=O)c(C[N@@H+](Cc3ccc(C)cc3)[C@@H](CC)c3nnnn3C(C)(C)C)cc2c1 ZINC000013494430 555404587 /nfs/dbraw/zinc/40/45/87/555404587.db2.gz JIPXOTANNMCUGQ-VWLOTQADSA-N 1 2 488.636 5.130 40 0 JKABLO CC[C@H](c1nnnn1C(C)(C)C)[N@H+](Cc1ccc(C)cc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013494425 555404629 /nfs/dbraw/zinc/40/46/29/555404629.db2.gz WCVCDRJOARQISK-XMMPIXPASA-N 1 2 458.610 5.040 40 0 JKABLO CC[C@H](c1nnnn1C(C)(C)C)[N@@H+](Cc1ccc(C)cc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013494425 555404630 /nfs/dbraw/zinc/40/46/30/555404630.db2.gz WCVCDRJOARQISK-XMMPIXPASA-N 1 2 458.610 5.040 40 0 JKABLO CC[C@@H](c1nnnn1C(C)(C)CC)[N@H+](Cc1ccccc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013494624 555405552 /nfs/dbraw/zinc/40/55/52/555405552.db2.gz WHBXVIUMSRMNGH-QHCPKHFHSA-N 1 2 458.610 5.122 40 0 JKABLO CC[C@@H](c1nnnn1C(C)(C)CC)[N@@H+](Cc1ccccc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013494624 555405554 /nfs/dbraw/zinc/40/55/54/555405554.db2.gz WHBXVIUMSRMNGH-QHCPKHFHSA-N 1 2 458.610 5.122 40 0 JKABLO CC[C@H](c1nnnn1C(C)(C)CC)[N@H+](Cc1ccccc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013494622 555405574 /nfs/dbraw/zinc/40/55/74/555405574.db2.gz WHBXVIUMSRMNGH-HSZRJFAPSA-N 1 2 458.610 5.122 40 0 JKABLO CC[C@H](c1nnnn1C(C)(C)CC)[N@@H+](Cc1ccccc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013494622 555405576 /nfs/dbraw/zinc/40/55/76/555405576.db2.gz WHBXVIUMSRMNGH-HSZRJFAPSA-N 1 2 458.610 5.122 40 0 JKABLO CCOc1ccc2[nH]c(=O)c(C[N@H+](Cc3ccccc3)[C@@H](CC)c3nnnn3C(C)(C)CC)cc2c1 ZINC000013494718 555406035 /nfs/dbraw/zinc/40/60/35/555406035.db2.gz ICGCJYJCDJNCRO-VWLOTQADSA-N 1 2 488.636 5.212 40 0 JKABLO CCOc1ccc2[nH]c(=O)c(C[N@@H+](Cc3ccccc3)[C@@H](CC)c3nnnn3C(C)(C)CC)cc2c1 ZINC000013494718 555406038 /nfs/dbraw/zinc/40/60/38/555406038.db2.gz ICGCJYJCDJNCRO-VWLOTQADSA-N 1 2 488.636 5.212 40 0 JKABLO CC[C@@H](c1nnnn1C1CCCCC1)[N@H+](Cc1ccccc1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013494690 555406044 /nfs/dbraw/zinc/40/60/44/555406044.db2.gz JIMNPCKYRGEVRL-SANMLTNESA-N 1 2 484.648 5.790 40 0 JKABLO CC[C@@H](c1nnnn1C1CCCCC1)[N@@H+](Cc1ccccc1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013494690 555406047 /nfs/dbraw/zinc/40/60/47/555406047.db2.gz JIMNPCKYRGEVRL-SANMLTNESA-N 1 2 484.648 5.790 40 0 JKABLO CC[C@H](c1nnnn1C1CCCC1)[N@H+](Cc1ccccc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013494664 555406073 /nfs/dbraw/zinc/40/60/73/555406073.db2.gz VGBZFICPBNCZBA-XMMPIXPASA-N 1 2 456.594 5.092 40 0 JKABLO CC[C@H](c1nnnn1C1CCCC1)[N@@H+](Cc1ccccc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013494664 555406075 /nfs/dbraw/zinc/40/60/75/555406075.db2.gz VGBZFICPBNCZBA-XMMPIXPASA-N 1 2 456.594 5.092 40 0 JKABLO CC[C@H](c1nnnn1C1CCCCC1)[N@H+](Cc1ccc(C)cc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013494786 555406430 /nfs/dbraw/zinc/40/64/30/555406430.db2.gz KMCWVMHDYBVKEV-HHHXNRCGSA-N 1 2 484.648 5.790 40 0 JKABLO CC[C@H](c1nnnn1C1CCCCC1)[N@@H+](Cc1ccc(C)cc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013494786 555406433 /nfs/dbraw/zinc/40/64/33/555406433.db2.gz KMCWVMHDYBVKEV-HHHXNRCGSA-N 1 2 484.648 5.790 40 0 JKABLO CC[C@@H](c1nnnn1C(C)(C)CC)[N@H+](Cc1ccc(C)cc1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013494816 555406498 /nfs/dbraw/zinc/40/64/98/555406498.db2.gz LQOUQFZIJUCOEO-VWLOTQADSA-N 1 2 486.664 5.738 40 0 JKABLO CC[C@@H](c1nnnn1C(C)(C)CC)[N@@H+](Cc1ccc(C)cc1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013494816 555406501 /nfs/dbraw/zinc/40/65/01/555406501.db2.gz LQOUQFZIJUCOEO-VWLOTQADSA-N 1 2 486.664 5.738 40 0 JKABLO CC[C@H](c1nnnn1Cc1ccccc1)[N@H+](Cc1ccc(F)cc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013494955 555406804 /nfs/dbraw/zinc/40/68/04/555406804.db2.gz HJEACZYHXYABNY-AREMUKBSSA-N 1 2 496.590 5.164 40 0 JKABLO CC[C@H](c1nnnn1Cc1ccccc1)[N@@H+](Cc1ccc(F)cc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013494955 555406806 /nfs/dbraw/zinc/40/68/06/555406806.db2.gz HJEACZYHXYABNY-AREMUKBSSA-N 1 2 496.590 5.164 40 0 JKABLO CC[C@H](c1nnnn1C1CCCC1)[N@H+](Cc1ccc(F)cc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013494984 555406862 /nfs/dbraw/zinc/40/68/62/555406862.db2.gz YMZYUJOFFGYBAK-RUZDIDTESA-N 1 2 474.584 5.231 40 0 JKABLO CC[C@H](c1nnnn1C1CCCC1)[N@@H+](Cc1ccc(F)cc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013494984 555406864 /nfs/dbraw/zinc/40/68/64/555406864.db2.gz YMZYUJOFFGYBAK-RUZDIDTESA-N 1 2 474.584 5.231 40 0 JKABLO CC[C@@H](c1nnnn1C1CCCC1)[N@H+](Cc1ccc(F)cc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013494949 555406947 /nfs/dbraw/zinc/40/69/47/555406947.db2.gz JECPVYSDZFBVRQ-DEOSSOPVSA-N 1 2 474.584 5.231 40 0 JKABLO CC[C@@H](c1nnnn1C1CCCC1)[N@@H+](Cc1ccc(F)cc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013494949 555406951 /nfs/dbraw/zinc/40/69/51/555406951.db2.gz JECPVYSDZFBVRQ-DEOSSOPVSA-N 1 2 474.584 5.231 40 0 JKABLO CC[C@@H](c1nnnn1CCc1ccccc1)[N@H+](Cc1cccs1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013495769 555409257 /nfs/dbraw/zinc/40/92/57/555409257.db2.gz LUWCQAPWJMUZCM-SANMLTNESA-N 1 2 498.656 5.281 40 0 JKABLO CC[C@@H](c1nnnn1CCc1ccccc1)[N@@H+](Cc1cccs1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013495769 555409259 /nfs/dbraw/zinc/40/92/59/555409259.db2.gz LUWCQAPWJMUZCM-SANMLTNESA-N 1 2 498.656 5.281 40 0 JKABLO CCc1ccc2[nH]c(=O)c(C[N@H+](Cc3ccccc3)[C@H](c3nnnn3Cc3ccco3)C(C)C)cc2c1 ZINC000013498470 555420800 /nfs/dbraw/zinc/42/08/00/555420800.db2.gz ACPSKAJVYMJTAV-MHZLTWQESA-N 1 2 496.615 5.118 40 0 JKABLO CCc1ccc2[nH]c(=O)c(C[N@@H+](Cc3ccccc3)[C@H](c3nnnn3Cc3ccco3)C(C)C)cc2c1 ZINC000013498470 555420802 /nfs/dbraw/zinc/42/08/02/555420802.db2.gz ACPSKAJVYMJTAV-MHZLTWQESA-N 1 2 496.615 5.118 40 0 JKABLO Cc1ccc2cc(C[N@@H+](Cc3cccs3)[C@H](c3nnnn3C3CCCC3)C(C)C)c(=O)[nH]c2c1 ZINC000013498511 555421555 /nfs/dbraw/zinc/42/15/55/555421555.db2.gz TXZHBWUEHXXEEH-DEOSSOPVSA-N 1 2 476.650 5.399 40 0 JKABLO Cc1ccc2cc(C[N@H+](Cc3cccs3)[C@H](c3nnnn3C3CCCC3)C(C)C)c(=O)[nH]c2c1 ZINC000013498511 555421557 /nfs/dbraw/zinc/42/15/57/555421557.db2.gz TXZHBWUEHXXEEH-DEOSSOPVSA-N 1 2 476.650 5.399 40 0 JKABLO Cc1ccc2cc(C[N@@H+](Cc3cccs3)[C@H](c3nnnn3Cc3ccccc3)C(C)C)c(=O)[nH]c2c1 ZINC000013498547 555422062 /nfs/dbraw/zinc/42/20/62/555422062.db2.gz CBCLUHUBJXTYHF-SANMLTNESA-N 1 2 498.656 5.332 40 0 JKABLO Cc1ccc2cc(C[N@H+](Cc3cccs3)[C@H](c3nnnn3Cc3ccccc3)C(C)C)c(=O)[nH]c2c1 ZINC000013498547 555422064 /nfs/dbraw/zinc/42/20/64/555422064.db2.gz CBCLUHUBJXTYHF-SANMLTNESA-N 1 2 498.656 5.332 40 0 JKABLO Cc1cc2cc(C[N@@H+](Cc3ccc(F)cc3)[C@@H](c3nnnn3C(C)(C)C)C(C)C)c(=O)[nH]c2cc1C ZINC000013498840 555424974 /nfs/dbraw/zinc/42/49/74/555424974.db2.gz UMWGRPBNYGZLHF-RUZDIDTESA-N 1 2 490.627 5.425 40 0 JKABLO Cc1cc2cc(C[N@H+](Cc3ccc(F)cc3)[C@@H](c3nnnn3C(C)(C)C)C(C)C)c(=O)[nH]c2cc1C ZINC000013498840 555424978 /nfs/dbraw/zinc/42/49/78/555424978.db2.gz UMWGRPBNYGZLHF-RUZDIDTESA-N 1 2 490.627 5.425 40 0 JKABLO Cc1cc2cc(C[N@@H+](Cc3ccccc3)[C@H](c3nnnn3C(C)(C)C)C(C)C)c(=O)[nH]c2cc1C ZINC000013498837 555425234 /nfs/dbraw/zinc/42/52/34/555425234.db2.gz OEAHCHYXZXZRCP-VWLOTQADSA-N 1 2 472.637 5.286 40 0 JKABLO Cc1cc2cc(C[N@H+](Cc3ccccc3)[C@H](c3nnnn3C(C)(C)C)C(C)C)c(=O)[nH]c2cc1C ZINC000013498837 555425236 /nfs/dbraw/zinc/42/52/36/555425236.db2.gz OEAHCHYXZXZRCP-VWLOTQADSA-N 1 2 472.637 5.286 40 0 JKABLO Cc1cc2cc(C[N@@H+](Cc3ccccc3)[C@@H](c3nnnn3C3CCCC3)C(C)C)c(=O)[nH]c2cc1C ZINC000013498868 555425563 /nfs/dbraw/zinc/42/55/63/555425563.db2.gz JWGPGPRRYSJHMU-HHHXNRCGSA-N 1 2 484.648 5.646 40 0 JKABLO Cc1cc2cc(C[N@H+](Cc3ccccc3)[C@@H](c3nnnn3C3CCCC3)C(C)C)c(=O)[nH]c2cc1C ZINC000013498868 555425565 /nfs/dbraw/zinc/42/55/65/555425565.db2.gz JWGPGPRRYSJHMU-HHHXNRCGSA-N 1 2 484.648 5.646 40 0 JKABLO CCC(C)(C)n1nnnc1[C@@H](C(C)C)[N@H+](Cc1ccco1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000013498860 555425613 /nfs/dbraw/zinc/42/56/13/555425613.db2.gz QSNCRJQWDYVBQO-XMMPIXPASA-N 1 2 476.625 5.269 40 0 JKABLO CCC(C)(C)n1nnnc1[C@@H](C(C)C)[N@@H+](Cc1ccco1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000013498860 555425614 /nfs/dbraw/zinc/42/56/14/555425614.db2.gz QSNCRJQWDYVBQO-XMMPIXPASA-N 1 2 476.625 5.269 40 0 JKABLO Cc1cc2cc(C[N@@H+](Cc3cccs3)[C@@H](c3nnnn3C3CCCC3)C(C)C)c(=O)[nH]c2cc1C ZINC000013498876 555425644 /nfs/dbraw/zinc/42/56/44/555425644.db2.gz BPTDVHZZGPYHPE-RUZDIDTESA-N 1 2 490.677 5.708 40 0 JKABLO Cc1cc2cc(C[N@H+](Cc3cccs3)[C@@H](c3nnnn3C3CCCC3)C(C)C)c(=O)[nH]c2cc1C ZINC000013498876 555425645 /nfs/dbraw/zinc/42/56/45/555425645.db2.gz BPTDVHZZGPYHPE-RUZDIDTESA-N 1 2 490.677 5.708 40 0 JKABLO CCC(C)(C)n1nnnc1[C@H](C(C)C)[N@H+](Cc1ccccc1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000013498855 555425650 /nfs/dbraw/zinc/42/56/50/555425650.db2.gz MKBOTJAGOSZOPS-SANMLTNESA-N 1 2 486.664 5.676 40 0 JKABLO CCC(C)(C)n1nnnc1[C@H](C(C)C)[N@@H+](Cc1ccccc1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000013498855 555425653 /nfs/dbraw/zinc/42/56/53/555425653.db2.gz MKBOTJAGOSZOPS-SANMLTNESA-N 1 2 486.664 5.676 40 0 JKABLO Cc1cc2cc(C[N@@H+](Cc3ccccc3)[C@@H](c3nnnn3C3CCCCC3)C(C)C)c(=O)[nH]c2cc1C ZINC000013498884 555425917 /nfs/dbraw/zinc/42/59/17/555425917.db2.gz RKOLFLSQAUNJQS-MUUNZHRXSA-N 1 2 498.675 6.036 40 0 JKABLO Cc1cc2cc(C[N@H+](Cc3ccccc3)[C@@H](c3nnnn3C3CCCCC3)C(C)C)c(=O)[nH]c2cc1C ZINC000013498884 555425919 /nfs/dbraw/zinc/42/59/19/555425919.db2.gz RKOLFLSQAUNJQS-MUUNZHRXSA-N 1 2 498.675 6.036 40 0 JKABLO Cc1cc2cc(C[N@@H+](Cc3ccco3)[C@H](c3nnnn3C3CCCCC3)C(C)C)c(=O)[nH]c2cc1C ZINC000013498891 555426005 /nfs/dbraw/zinc/42/60/05/555426005.db2.gz HWYUFOQEDPUBFO-SANMLTNESA-N 1 2 488.636 5.629 40 0 JKABLO Cc1cc2cc(C[N@H+](Cc3ccco3)[C@H](c3nnnn3C3CCCCC3)C(C)C)c(=O)[nH]c2cc1C ZINC000013498891 555426007 /nfs/dbraw/zinc/42/60/07/555426007.db2.gz HWYUFOQEDPUBFO-SANMLTNESA-N 1 2 488.636 5.629 40 0 JKABLO Cc1cc(C)c2cc(C[N@@H+](Cc3cccnc3)[C@H](c3nnnn3C3CCCC3)C(C)C)c(=O)[nH]c2c1 ZINC000013499021 555427154 /nfs/dbraw/zinc/42/71/54/555427154.db2.gz VGUWLBCZZWAKHA-SANMLTNESA-N 1 2 485.636 5.041 40 0 JKABLO Cc1cc(C)c2cc(C[N@H+](Cc3cccnc3)[C@H](c3nnnn3C3CCCC3)C(C)C)c(=O)[nH]c2c1 ZINC000013499021 555427155 /nfs/dbraw/zinc/42/71/55/555427155.db2.gz VGUWLBCZZWAKHA-SANMLTNESA-N 1 2 485.636 5.041 40 0 JKABLO CCC(C)(C)n1nnnc1[C@H](C(C)C)[N@H+](Cc1cccs1)Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000013499125 555428422 /nfs/dbraw/zinc/42/84/22/555428422.db2.gz FHYJXKHYJSSYFE-DEOSSOPVSA-N 1 2 492.693 5.738 40 0 JKABLO CCC(C)(C)n1nnnc1[C@H](C(C)C)[N@@H+](Cc1cccs1)Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000013499125 555428423 /nfs/dbraw/zinc/42/84/23/555428423.db2.gz FHYJXKHYJSSYFE-DEOSSOPVSA-N 1 2 492.693 5.738 40 0 JKABLO Cc1ccc2cc(C[N@@H+](Cc3ccccc3)[C@H](c3nnnn3Cc3ccco3)C(C)C)c(=O)[nH]c2c1C ZINC000013499155 555428778 /nfs/dbraw/zinc/42/87/78/555428778.db2.gz HNJPUNNCGSXARJ-MHZLTWQESA-N 1 2 496.615 5.172 40 0 JKABLO Cc1ccc2cc(C[N@H+](Cc3ccccc3)[C@H](c3nnnn3Cc3ccco3)C(C)C)c(=O)[nH]c2c1C ZINC000013499155 555428780 /nfs/dbraw/zinc/42/87/80/555428780.db2.gz HNJPUNNCGSXARJ-MHZLTWQESA-N 1 2 496.615 5.172 40 0 JKABLO Cc1ccc(C)c2[nH]c(=O)c(C[N@@H+](Cc3ccco3)[C@H](c3nnnn3C3CCCCC3)C(C)C)cc12 ZINC000013499177 555428799 /nfs/dbraw/zinc/42/87/99/555428799.db2.gz IYGVKILKYXDLRR-SANMLTNESA-N 1 2 488.636 5.629 40 0 JKABLO Cc1ccc(C)c2[nH]c(=O)c(C[N@H+](Cc3ccco3)[C@H](c3nnnn3C3CCCCC3)C(C)C)cc12 ZINC000013499177 555428800 /nfs/dbraw/zinc/42/88/00/555428800.db2.gz IYGVKILKYXDLRR-SANMLTNESA-N 1 2 488.636 5.629 40 0 JKABLO CCC[C@@H](c1nnnn1C1CCCC1)[N@H+](Cc1ccc(C)cc1)Cc1cc2cc(CC)ccc2[nH]c1=O ZINC000013499256 555429657 /nfs/dbraw/zinc/42/96/57/555429657.db2.gz VKLZYLMZODWCSG-NDEPHWFRSA-N 1 2 498.675 6.044 40 0 JKABLO CCC[C@@H](c1nnnn1C1CCCC1)[N@@H+](Cc1ccc(C)cc1)Cc1cc2cc(CC)ccc2[nH]c1=O ZINC000013499256 555429660 /nfs/dbraw/zinc/42/96/60/555429660.db2.gz VKLZYLMZODWCSG-NDEPHWFRSA-N 1 2 498.675 6.044 40 0 JKABLO CCC[C@@H](c1nnnn1C1CCCC1)[N@H+](Cc1ccccc1)Cc1cc2cc(CC)ccc2[nH]c1=O ZINC000013499236 555429712 /nfs/dbraw/zinc/42/97/12/555429712.db2.gz BNYZJYFYPHBTCU-MHZLTWQESA-N 1 2 484.648 5.736 40 0 JKABLO CCC[C@@H](c1nnnn1C1CCCC1)[N@@H+](Cc1ccccc1)Cc1cc2cc(CC)ccc2[nH]c1=O ZINC000013499236 555429716 /nfs/dbraw/zinc/42/97/16/555429716.db2.gz BNYZJYFYPHBTCU-MHZLTWQESA-N 1 2 484.648 5.736 40 0 JKABLO CCC[C@H](c1nnnn1C(C)(C)CC)[N@H+](Cc1cccs1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000013499281 555430039 /nfs/dbraw/zinc/43/00/39/555430039.db2.gz IWFQOFZCORNYDW-HSZRJFAPSA-N 1 2 478.666 5.573 40 0 JKABLO CCC[C@H](c1nnnn1C(C)(C)CC)[N@@H+](Cc1cccs1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000013499281 555430040 /nfs/dbraw/zinc/43/00/40/555430040.db2.gz IWFQOFZCORNYDW-HSZRJFAPSA-N 1 2 478.666 5.573 40 0 JKABLO CCC[C@@H](c1nnnn1C1CCCCC1)[N@@H+](Cc1cc2cc(C)c(C)cc2[nH]c1=O)C[C@@H]1CCCO1 ZINC000013499474 555431739 /nfs/dbraw/zinc/43/17/39/555431739.db2.gz XVYMUPJACHGULJ-AHWVRZQESA-N 1 2 492.668 5.159 40 0 JKABLO CCC[C@@H](c1nnnn1C1CCCCC1)[N@H+](Cc1cc2cc(C)c(C)cc2[nH]c1=O)C[C@@H]1CCCO1 ZINC000013499474 555431742 /nfs/dbraw/zinc/43/17/42/555431742.db2.gz XVYMUPJACHGULJ-AHWVRZQESA-N 1 2 492.668 5.159 40 0 JKABLO CCC[C@H](c1nnnn1Cc1ccco1)[N@H+](Cc1ccccc1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000013499521 555432327 /nfs/dbraw/zinc/43/23/27/555432327.db2.gz FVTGOPUAOGDUDY-HHHXNRCGSA-N 1 2 496.615 5.316 40 0 JKABLO CCC[C@H](c1nnnn1Cc1ccco1)[N@@H+](Cc1ccccc1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000013499521 555432329 /nfs/dbraw/zinc/43/23/29/555432329.db2.gz FVTGOPUAOGDUDY-HHHXNRCGSA-N 1 2 496.615 5.316 40 0 JKABLO CCC[C@H](c1nnnn1C(C)(C)C)[N@H+](Cc1ccccc1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000013499545 555432659 /nfs/dbraw/zinc/43/26/59/555432659.db2.gz LDZYBYREBWYIAH-RUZDIDTESA-N 1 2 472.637 5.430 40 0 JKABLO CCC[C@H](c1nnnn1C(C)(C)C)[N@@H+](Cc1ccccc1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000013499545 555432660 /nfs/dbraw/zinc/43/26/60/555432660.db2.gz LDZYBYREBWYIAH-RUZDIDTESA-N 1 2 472.637 5.430 40 0 JKABLO CCC[C@@H](c1nnnn1C(C)(C)C)[N@H+](Cc1cccs1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000013499548 555432703 /nfs/dbraw/zinc/43/27/03/555432703.db2.gz TVMSYHICSJMUET-QHCPKHFHSA-N 1 2 478.666 5.492 40 0 JKABLO CCC[C@@H](c1nnnn1C(C)(C)C)[N@@H+](Cc1cccs1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000013499548 555432705 /nfs/dbraw/zinc/43/27/05/555432705.db2.gz TVMSYHICSJMUET-QHCPKHFHSA-N 1 2 478.666 5.492 40 0 JKABLO CCC[C@@H](c1nnnn1C1CCCCC1)[N@H+](Cc1ccccc1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000013499574 555432913 /nfs/dbraw/zinc/43/29/13/555432913.db2.gz UGTHZGAXJZPOQZ-NDEPHWFRSA-N 1 2 498.675 6.180 40 0 JKABLO CCC[C@@H](c1nnnn1C1CCCCC1)[N@@H+](Cc1ccccc1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000013499574 555432915 /nfs/dbraw/zinc/43/29/15/555432915.db2.gz UGTHZGAXJZPOQZ-NDEPHWFRSA-N 1 2 498.675 6.180 40 0 JKABLO CCC[C@H](c1nnnn1C1CCCCC1)[N@H+](Cc1ccccc1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000013499573 555432964 /nfs/dbraw/zinc/43/29/64/555432964.db2.gz UGTHZGAXJZPOQZ-MUUNZHRXSA-N 1 2 498.675 6.180 40 0 JKABLO CCC[C@H](c1nnnn1C1CCCCC1)[N@@H+](Cc1ccccc1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000013499573 555432967 /nfs/dbraw/zinc/43/29/67/555432967.db2.gz UGTHZGAXJZPOQZ-MUUNZHRXSA-N 1 2 498.675 6.180 40 0 JKABLO CCC[C@H](c1nnnn1C(C)(C)CC)[N@H+](Cc1ccccc1)Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000013499625 555433410 /nfs/dbraw/zinc/43/34/10/555433410.db2.gz GATAWKLDZOGZLS-RUZDIDTESA-N 1 2 486.664 5.820 40 0 JKABLO CCC[C@H](c1nnnn1C(C)(C)CC)[N@@H+](Cc1ccccc1)Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000013499625 555433412 /nfs/dbraw/zinc/43/34/12/555433412.db2.gz GATAWKLDZOGZLS-RUZDIDTESA-N 1 2 486.664 5.820 40 0 JKABLO CCC[C@H](c1nnnn1Cc1ccco1)[N@H+](Cc1ccccc1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000013499605 555433533 /nfs/dbraw/zinc/43/35/33/555433533.db2.gz UCFRGZNAHTVUCK-HHHXNRCGSA-N 1 2 496.615 5.316 40 0 JKABLO CCC[C@H](c1nnnn1Cc1ccco1)[N@@H+](Cc1ccccc1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000013499605 555433535 /nfs/dbraw/zinc/43/35/35/555433535.db2.gz UCFRGZNAHTVUCK-HHHXNRCGSA-N 1 2 496.615 5.316 40 0 JKABLO CCC[C@H](c1nnnn1C1CCCC1)[N@H+](Cc1ccc(C)cc1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000013499599 555433630 /nfs/dbraw/zinc/43/36/30/555433630.db2.gz YOXNPEVMPNLKFN-MUUNZHRXSA-N 1 2 498.675 6.099 40 0 JKABLO CCC[C@H](c1nnnn1C1CCCC1)[N@@H+](Cc1ccc(C)cc1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000013499599 555433634 /nfs/dbraw/zinc/43/36/34/555433634.db2.gz YOXNPEVMPNLKFN-MUUNZHRXSA-N 1 2 498.675 6.099 40 0 JKABLO CCC[C@H](c1nnnn1C(C)(C)CC)[N@H+](Cc1cccs1)Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000013499629 555433786 /nfs/dbraw/zinc/43/37/86/555433786.db2.gz MPKDLHLTWBXGOW-HSZRJFAPSA-N 1 2 492.693 5.882 40 0 JKABLO CCC[C@H](c1nnnn1C(C)(C)CC)[N@@H+](Cc1cccs1)Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000013499629 555433787 /nfs/dbraw/zinc/43/37/87/555433787.db2.gz MPKDLHLTWBXGOW-HSZRJFAPSA-N 1 2 492.693 5.882 40 0 JKABLO CCOc1ccc2[nH]c(=O)c(C[N@H+](Cc3ccccc3)[C@H](c3nnnn3C(C)(C)C)C(C)C)cc2c1 ZINC000013500211 555437744 /nfs/dbraw/zinc/43/77/44/555437744.db2.gz VOCBFNIKHZBYNQ-VWLOTQADSA-N 1 2 488.636 5.068 40 0 JKABLO CCOc1ccc2[nH]c(=O)c(C[N@@H+](Cc3ccccc3)[C@H](c3nnnn3C(C)(C)C)C(C)C)cc2c1 ZINC000013500211 555437749 /nfs/dbraw/zinc/43/77/49/555437749.db2.gz VOCBFNIKHZBYNQ-VWLOTQADSA-N 1 2 488.636 5.068 40 0 JKABLO Cc1ccc(C[N@H+](Cc2cc3cc(C)ccc3[nH]c2=O)[C@@H](c2nnnn2C(C)(C)C)C(C)C)cc1 ZINC000013500217 555437786 /nfs/dbraw/zinc/43/77/86/555437786.db2.gz YMCSSPZYDLJVGQ-RUZDIDTESA-N 1 2 472.637 5.286 40 0 JKABLO Cc1ccc(C[N@@H+](Cc2cc3cc(C)ccc3[nH]c2=O)[C@@H](c2nnnn2C(C)(C)C)C(C)C)cc1 ZINC000013500217 555437790 /nfs/dbraw/zinc/43/77/90/555437790.db2.gz YMCSSPZYDLJVGQ-RUZDIDTESA-N 1 2 472.637 5.286 40 0 JKABLO CCC(C)(C)n1nnnc1[C@H](C(C)C)[N@H+](Cc1ccccc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013500300 555438846 /nfs/dbraw/zinc/43/88/46/555438846.db2.gz AVRZTOMCECGULX-VWLOTQADSA-N 1 2 472.637 5.368 40 0 JKABLO CCC(C)(C)n1nnnc1[C@H](C(C)C)[N@@H+](Cc1ccccc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013500300 555438849 /nfs/dbraw/zinc/43/88/49/555438849.db2.gz AVRZTOMCECGULX-VWLOTQADSA-N 1 2 472.637 5.368 40 0 JKABLO Cc1cccc2cc(C[N@@H+](Cc3ccccc3)[C@@H](c3nnnn3C3CCCCC3)C(C)C)c(=O)[nH]c12 ZINC000013500317 555438971 /nfs/dbraw/zinc/43/89/71/555438971.db2.gz TVHOGANEMAWNMN-HHHXNRCGSA-N 1 2 484.648 5.728 40 0 JKABLO Cc1cccc2cc(C[N@H+](Cc3ccccc3)[C@@H](c3nnnn3C3CCCCC3)C(C)C)c(=O)[nH]c12 ZINC000013500317 555438974 /nfs/dbraw/zinc/43/89/74/555438974.db2.gz TVHOGANEMAWNMN-HHHXNRCGSA-N 1 2 484.648 5.728 40 0 JKABLO Cc1cccc2cc(C[N@@H+](Cc3ccc(F)cc3)[C@@H](c3nnnn3C3CCCC3)C(C)C)c(=O)[nH]c12 ZINC000013500349 555439262 /nfs/dbraw/zinc/43/92/62/555439262.db2.gz ICZIQBLEBMYMPY-AREMUKBSSA-N 1 2 488.611 5.477 40 0 JKABLO Cc1cccc2cc(C[N@H+](Cc3ccc(F)cc3)[C@@H](c3nnnn3C3CCCC3)C(C)C)c(=O)[nH]c12 ZINC000013500349 555439264 /nfs/dbraw/zinc/43/92/64/555439264.db2.gz ICZIQBLEBMYMPY-AREMUKBSSA-N 1 2 488.611 5.477 40 0 JKABLO Cc1ccc(C[N@H+](Cc2cc3cc(C)ccc3[nH]c2=O)[C@@H](c2nnnn2C2CCCCC2)C(C)C)cc1 ZINC000013500341 555439280 /nfs/dbraw/zinc/43/92/80/555439280.db2.gz NVMVEGQIAIWUMF-MUUNZHRXSA-N 1 2 498.675 6.036 40 0 JKABLO Cc1ccc(C[N@@H+](Cc2cc3cc(C)ccc3[nH]c2=O)[C@@H](c2nnnn2C2CCCCC2)C(C)C)cc1 ZINC000013500341 555439281 /nfs/dbraw/zinc/43/92/81/555439281.db2.gz NVMVEGQIAIWUMF-MUUNZHRXSA-N 1 2 498.675 6.036 40 0 JKABLO CCC(C)(C)n1nnnc1[C@H](C(C)C)[N@H+](Cc1ccc(F)cc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013500354 555439297 /nfs/dbraw/zinc/43/92/97/555439297.db2.gz CSRDNUBFMNBMPT-VWLOTQADSA-N 1 2 490.627 5.507 40 0 JKABLO CCC(C)(C)n1nnnc1[C@H](C(C)C)[N@@H+](Cc1ccc(F)cc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013500354 555439299 /nfs/dbraw/zinc/43/92/99/555439299.db2.gz CSRDNUBFMNBMPT-VWLOTQADSA-N 1 2 490.627 5.507 40 0 JKABLO Cc1cccc2cc(C[N@@H+](Cc3ccc(F)cc3)[C@H](c3nnnn3C3CCCC3)C(C)C)c(=O)[nH]c12 ZINC000013500350 555439331 /nfs/dbraw/zinc/43/93/31/555439331.db2.gz ICZIQBLEBMYMPY-SANMLTNESA-N 1 2 488.611 5.477 40 0 JKABLO Cc1cccc2cc(C[N@H+](Cc3ccc(F)cc3)[C@H](c3nnnn3C3CCCC3)C(C)C)c(=O)[nH]c12 ZINC000013500350 555439334 /nfs/dbraw/zinc/43/93/34/555439334.db2.gz ICZIQBLEBMYMPY-SANMLTNESA-N 1 2 488.611 5.477 40 0 JKABLO Cc1ccc2[nH]c(=O)c(C[N@@H+](Cc3ccco3)[C@@H](c3nnnn3CCc3ccccc3)C(C)C)cc2c1 ZINC000013500446 555440190 /nfs/dbraw/zinc/44/01/90/555440190.db2.gz SVDNQPPBRLMXOG-HHHXNRCGSA-N 1 2 496.615 5.058 40 0 JKABLO Cc1ccc2[nH]c(=O)c(C[N@H+](Cc3ccco3)[C@@H](c3nnnn3CCc3ccccc3)C(C)C)cc2c1 ZINC000013500446 555440191 /nfs/dbraw/zinc/44/01/91/555440191.db2.gz SVDNQPPBRLMXOG-HHHXNRCGSA-N 1 2 496.615 5.058 40 0 JKABLO Cc1cc(C)c2[nH]c(=O)c(C[N@@H+](Cc3ccco3)[C@H](c3nnnn3C3CCCCC3)C(C)C)cc2c1 ZINC000013500453 555440514 /nfs/dbraw/zinc/44/05/14/555440514.db2.gz RUYPURMEWLAMSH-SANMLTNESA-N 1 2 488.636 5.629 40 0 JKABLO Cc1cc(C)c2[nH]c(=O)c(C[N@H+](Cc3ccco3)[C@H](c3nnnn3C3CCCCC3)C(C)C)cc2c1 ZINC000013500453 555440517 /nfs/dbraw/zinc/44/05/17/555440517.db2.gz RUYPURMEWLAMSH-SANMLTNESA-N 1 2 488.636 5.629 40 0 JKABLO Cc1ccc2[nH]c(=O)c(C[N@@H+](Cc3cccs3)[C@@H](c3nnnn3C3CCCC3)C(C)C)cc2c1 ZINC000013500486 555440598 /nfs/dbraw/zinc/44/05/98/555440598.db2.gz GQVGAOBKMGFVSI-XMMPIXPASA-N 1 2 476.650 5.399 40 0 JKABLO Cc1ccc2[nH]c(=O)c(C[N@H+](Cc3cccs3)[C@@H](c3nnnn3C3CCCC3)C(C)C)cc2c1 ZINC000013500486 555440602 /nfs/dbraw/zinc/44/06/02/555440602.db2.gz GQVGAOBKMGFVSI-XMMPIXPASA-N 1 2 476.650 5.399 40 0 JKABLO CCC(C)(C)n1nnnc1[C@@H](C(C)C)[N@H+](Cc1cccs1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013500470 555440644 /nfs/dbraw/zinc/44/06/44/555440644.db2.gz ZKVGHTOYAZVVCG-HSZRJFAPSA-N 1 2 478.666 5.429 40 0 JKABLO CCC(C)(C)n1nnnc1[C@@H](C(C)C)[N@@H+](Cc1cccs1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013500470 555440649 /nfs/dbraw/zinc/44/06/49/555440649.db2.gz ZKVGHTOYAZVVCG-HSZRJFAPSA-N 1 2 478.666 5.429 40 0 JKABLO CCC(C)(C)n1nnnc1[C@@H](C(C)C)[N@H+](Cc1cccs1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013500496 555441143 /nfs/dbraw/zinc/44/11/43/555441143.db2.gz BLROLSQJAGKBBJ-XMMPIXPASA-N 1 2 492.693 5.738 40 0 JKABLO CCC(C)(C)n1nnnc1[C@@H](C(C)C)[N@@H+](Cc1cccs1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013500496 555441145 /nfs/dbraw/zinc/44/11/45/555441145.db2.gz BLROLSQJAGKBBJ-XMMPIXPASA-N 1 2 492.693 5.738 40 0 JKABLO CCC[C@@H](c1nnnn1C(C)(C)C)[N@H+](Cc1ccccc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013500697 555442827 /nfs/dbraw/zinc/44/28/27/555442827.db2.gz RBOTWVICMQLJEL-QHCPKHFHSA-N 1 2 458.610 5.122 40 0 JKABLO CCC[C@@H](c1nnnn1C(C)(C)C)[N@@H+](Cc1ccccc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013500697 555442830 /nfs/dbraw/zinc/44/28/30/555442830.db2.gz RBOTWVICMQLJEL-QHCPKHFHSA-N 1 2 458.610 5.122 40 0 JKABLO CCC[C@@H](c1nnnn1C(C)(C)C)[N@H+](Cc1ccc(F)cc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013500713 555442863 /nfs/dbraw/zinc/44/28/63/555442863.db2.gz AMSQNYZFJZWBKI-QHCPKHFHSA-N 1 2 476.600 5.261 40 0 JKABLO CCC[C@@H](c1nnnn1C(C)(C)C)[N@@H+](Cc1ccc(F)cc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013500713 555442866 /nfs/dbraw/zinc/44/28/66/555442866.db2.gz AMSQNYZFJZWBKI-QHCPKHFHSA-N 1 2 476.600 5.261 40 0 JKABLO CCC[C@H](c1nnnn1C(C)(C)C)[N@H+](Cc1cccs1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013500746 555443469 /nfs/dbraw/zinc/44/34/69/555443469.db2.gz QHWGAJWKQQGYNO-JOCHJYFZSA-N 1 2 464.639 5.183 40 0 JKABLO CCC[C@H](c1nnnn1C(C)(C)C)[N@@H+](Cc1cccs1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013500746 555443472 /nfs/dbraw/zinc/44/34/72/555443472.db2.gz QHWGAJWKQQGYNO-JOCHJYFZSA-N 1 2 464.639 5.183 40 0 JKABLO CCC[C@@H](c1nnnn1C(C)(C)CC)[N@H+](Cc1ccccc1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013500795 555443973 /nfs/dbraw/zinc/44/39/73/555443973.db2.gz GJYVPXGWZQODCB-VWLOTQADSA-N 1 2 486.664 5.820 40 0 JKABLO CCC[C@@H](c1nnnn1C(C)(C)CC)[N@@H+](Cc1ccccc1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013500795 555443975 /nfs/dbraw/zinc/44/39/75/555443975.db2.gz GJYVPXGWZQODCB-VWLOTQADSA-N 1 2 486.664 5.820 40 0 JKABLO CCC[C@H](c1nnnn1C1CCCC1)[N@H+](Cc1ccc(C)cc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013500816 555444320 /nfs/dbraw/zinc/44/43/20/555444320.db2.gz STCAEBOFZCCEOT-HHHXNRCGSA-N 1 2 484.648 5.790 40 0 JKABLO CCC[C@H](c1nnnn1C1CCCC1)[N@@H+](Cc1ccc(C)cc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013500816 555444322 /nfs/dbraw/zinc/44/43/22/555444322.db2.gz STCAEBOFZCCEOT-HHHXNRCGSA-N 1 2 484.648 5.790 40 0 JKABLO CCC[C@@H](c1nnnn1Cc1ccco1)[N@H+](Cc1ccccc1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013500801 555444457 /nfs/dbraw/zinc/44/44/57/555444457.db2.gz RIMFKTSVWZQURC-SANMLTNESA-N 1 2 496.615 5.316 40 0 JKABLO CCC[C@@H](c1nnnn1Cc1ccco1)[N@@H+](Cc1ccccc1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013500801 555444458 /nfs/dbraw/zinc/44/44/58/555444458.db2.gz RIMFKTSVWZQURC-SANMLTNESA-N 1 2 496.615 5.316 40 0 JKABLO CCC[C@@H](c1nnnn1C(C)(C)CC)[N@H+](Cc1ccc(F)cc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013500833 555444485 /nfs/dbraw/zinc/44/44/85/555444485.db2.gz GXOORCIUDAAGGY-VWLOTQADSA-N 1 2 490.627 5.651 40 0 JKABLO CCC[C@@H](c1nnnn1C(C)(C)CC)[N@@H+](Cc1ccc(F)cc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013500833 555444488 /nfs/dbraw/zinc/44/44/88/555444488.db2.gz GXOORCIUDAAGGY-VWLOTQADSA-N 1 2 490.627 5.651 40 0 JKABLO CCC[C@@H](c1nnnn1C(C)(C)CC)[N@H+](Cc1ccc(F)cc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013500829 555444494 /nfs/dbraw/zinc/44/44/94/555444494.db2.gz LZGOZWRCWPLRBG-DEOSSOPVSA-N 1 2 490.627 5.651 40 0 JKABLO CCC[C@@H](c1nnnn1C(C)(C)CC)[N@@H+](Cc1ccc(F)cc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013500829 555444497 /nfs/dbraw/zinc/44/44/97/555444497.db2.gz LZGOZWRCWPLRBG-DEOSSOPVSA-N 1 2 490.627 5.651 40 0 JKABLO CCC[C@@H](c1nnnn1Cc1ccco1)[N@H+](Cc1cccs1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013500953 555445518 /nfs/dbraw/zinc/44/55/18/555445518.db2.gz HDWKAWWMADSSRS-QHCPKHFHSA-N 1 2 488.617 5.069 40 0 JKABLO CCC[C@@H](c1nnnn1Cc1ccco1)[N@@H+](Cc1cccs1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013500953 555445522 /nfs/dbraw/zinc/44/55/22/555445522.db2.gz HDWKAWWMADSSRS-QHCPKHFHSA-N 1 2 488.617 5.069 40 0 JKABLO CCC[C@H](c1nnnn1C(C)(C)CC)[N@H+](Cc1cccs1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013500942 555445603 /nfs/dbraw/zinc/44/56/03/555445603.db2.gz OEQUAURUCNZEDQ-JOCHJYFZSA-N 1 2 478.666 5.573 40 0 JKABLO CCC[C@H](c1nnnn1C(C)(C)CC)[N@@H+](Cc1cccs1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013500942 555445604 /nfs/dbraw/zinc/44/56/04/555445604.db2.gz OEQUAURUCNZEDQ-JOCHJYFZSA-N 1 2 478.666 5.573 40 0 JKABLO CCC[C@H](c1nnnn1C1CCCCC1)[N@H+](Cc1cccs1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013500960 555446019 /nfs/dbraw/zinc/44/60/19/555446019.db2.gz GDPKUWFMWYBBRM-RUZDIDTESA-N 1 2 490.677 5.933 40 0 JKABLO CCC[C@H](c1nnnn1C1CCCCC1)[N@@H+](Cc1cccs1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013500960 555446021 /nfs/dbraw/zinc/44/60/21/555446021.db2.gz GDPKUWFMWYBBRM-RUZDIDTESA-N 1 2 490.677 5.933 40 0 JKABLO Cc1cccc2cc([C@H](c3nnnn3C(C)C)[N@H+](CCc3ccccc3)Cc3cccs3)c(=O)[nH]c12 ZINC000013503391 555460969 /nfs/dbraw/zinc/46/09/69/555460969.db2.gz KQKQLPLSLBOBIA-AREMUKBSSA-N 1 2 498.656 5.300 40 0 JKABLO Cc1cccc2cc([C@H](c3nnnn3C(C)C)[N@@H+](CCc3ccccc3)Cc3cccs3)c(=O)[nH]c12 ZINC000013503391 555460970 /nfs/dbraw/zinc/46/09/70/555460970.db2.gz KQKQLPLSLBOBIA-AREMUKBSSA-N 1 2 498.656 5.300 40 0 JKABLO CC[N@H+](Cc1ccccc1)[C@H](c1nnnn1CCc1ccccc1)c1cccc(C(F)(F)F)c1 ZINC000013561787 555495047 /nfs/dbraw/zinc/49/50/47/555495047.db2.gz KXRULTROXFBIFC-DEOSSOPVSA-N 1 2 465.523 5.546 40 0 JKABLO CC[N@@H+](Cc1ccccc1)[C@H](c1nnnn1CCc1ccccc1)c1cccc(C(F)(F)F)c1 ZINC000013561787 555495050 /nfs/dbraw/zinc/49/50/50/555495050.db2.gz KXRULTROXFBIFC-DEOSSOPVSA-N 1 2 465.523 5.546 40 0 JKABLO O=C(C[NH+]1CCC(NC(=O)c2ccccc2Br)CC1)Nc1ccc(C2CCCCC2)cc1 ZINC000013562894 555497871 /nfs/dbraw/zinc/49/78/71/555497871.db2.gz LIOQCDGTWGKSKF-UHFFFAOYSA-N 1 2 498.465 5.330 40 0 JKABLO Cc1sc(NC(=O)C[NH+]2CCCCC2)nc1-c1ccc2c(c1)CCN2C(=O)c1ccc(C)cc1 ZINC000013564954 555500290 /nfs/dbraw/zinc/50/02/90/555500290.db2.gz FHTIZRGPUPBFFR-UHFFFAOYSA-N 1 2 474.630 5.054 40 0 JKABLO COc1ccc([C@H]2[C@@H]3CCCC[C@@]3(O)CC[N@@H+]2CC(=O)Nc2ccc(Cl)cc2Cl)c(OC)c1 ZINC000013768982 555613803 /nfs/dbraw/zinc/61/38/03/555613803.db2.gz LDXVWFULKHKEMT-PNTFMKQHSA-N 1 2 493.431 5.317 40 0 JKABLO COc1ccc([C@H]2[C@@H]3CCCC[C@@]3(O)CC[N@H+]2CC(=O)Nc2ccc(Cl)cc2Cl)c(OC)c1 ZINC000013768982 555613805 /nfs/dbraw/zinc/61/38/05/555613805.db2.gz LDXVWFULKHKEMT-PNTFMKQHSA-N 1 2 493.431 5.317 40 0 JKABLO Cc1ccc(C)c(N2CC[NH+]([C@@H](c3nnnn3C3CCCCC3)c3ccc4ncccc4c3)CC2)c1 ZINC000020098447 555633229 /nfs/dbraw/zinc/63/32/29/555633229.db2.gz NTNWWGYIIJQCBX-MUUNZHRXSA-N 1 2 481.648 5.255 40 0 JKABLO O=C(Nc1cccc(Br)c1)c1ccc(C[NH+]2CCN(Cc3ccccc3)CC2)cc1 ZINC000020241805 555737755 /nfs/dbraw/zinc/73/77/55/555737755.db2.gz HCKJUBRDLBPUGE-UHFFFAOYSA-N 1 2 464.407 5.019 40 0 JKABLO O=C(Nc1ccccc1Br)c1ccc(C[NH+]2CCN(Cc3ccccc3)CC2)cc1 ZINC000020241829 555737768 /nfs/dbraw/zinc/73/77/68/555737768.db2.gz DDWMKJXIGANRLL-UHFFFAOYSA-N 1 2 464.407 5.019 40 0 JKABLO Cc1c(OCC(F)(F)F)cc[nH+]c1CSc1nc2cc(OCc3ccccc3)ccc2[nH]1 ZINC000022063876 555868770 /nfs/dbraw/zinc/86/87/70/555868770.db2.gz CZUOFBHOTCVYSF-UHFFFAOYSA-N 1 2 459.493 6.079 40 0 in-vitro JKABLO Clc1ccc(/N=c2\scc(-c3ccc(Cl)c(Cl)c3)n2CCC[NH+]2CCOCC2)cc1 ZINC000015304109 555894345 /nfs/dbraw/zinc/89/43/45/555894345.db2.gz PMIDWNRRMXJFQS-ROMGYVFFSA-N 1 2 482.864 6.132 40 0 JKABLO Cc1ccc(NC(=S)N2CC[NH+](C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)c(C)c1 ZINC000022532468 555932402 /nfs/dbraw/zinc/93/24/02/555932402.db2.gz YDYGAGKOBDCDAM-UHFFFAOYSA-N 1 2 451.586 5.686 40 0 JKABLO Cc1cc(C)cc(NC(=S)N2CC[NH+](C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)c1 ZINC000022532482 555932424 /nfs/dbraw/zinc/93/24/24/555932424.db2.gz ZGTSLPDVIYDORO-UHFFFAOYSA-N 1 2 451.586 5.686 40 0 JKABLO FC(F)(F)c1ccc(-c2noc([C@@H]3Cc4[nH+]c[nH]c4CN3Cc3cc4ccccc4o3)n2)cc1 ZINC000015675542 555933949 /nfs/dbraw/zinc/93/39/49/555933949.db2.gz QEPJXBBKIWTXEX-FQEVSTJZSA-N 1 2 465.435 5.524 40 0 biogenic,in-vitro JKABLO Cc1ccc(NC(=O)N2Cc3[nH+]c[nH]c3C[C@H]2c2nc(-c3ccc4ccccc4c3)no2)cc1 ZINC000015675948 555935403 /nfs/dbraw/zinc/93/54/03/555935403.db2.gz ZOTNYQYFKZTVLN-QHCPKHFHSA-N 1 2 450.502 5.253 40 0 biogenic,in-vitro JKABLO Cc1ccc(NC(=O)N2Cc3[nH]c[nH+]c3C[C@H]2c2nc(-c3ccc4ccccc4c3)no2)cc1 ZINC000015675948 555935404 /nfs/dbraw/zinc/93/54/04/555935404.db2.gz ZOTNYQYFKZTVLN-QHCPKHFHSA-N 1 2 450.502 5.253 40 0 biogenic,in-vitro JKABLO Fc1ccc(C(c2ccc(F)cc2)[NH+]2CCN(C(=S)Nc3ccccc3Cl)CC2)cc1 ZINC000022564748 555935562 /nfs/dbraw/zinc/93/55/62/555935562.db2.gz UPHCMBBSCSXPQG-UHFFFAOYSA-N 1 2 457.977 5.722 40 0 JKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=O)/C=C/c4ccc(C(C)C)cc4)cc3n2)cc1 ZINC000022579616 555939740 /nfs/dbraw/zinc/93/97/40/555939740.db2.gz VCSNKBHPNOIEOY-LICLKQGHSA-N 1 2 467.617 6.350 40 0 JKABLO Cc1cc(C)cc(C(=O)Nc2ccc(N3CC[NH+](Cc4ccccc4Cl)CC3)c(Cl)c2)c1 ZINC000022704083 555942624 /nfs/dbraw/zinc/94/26/24/555942624.db2.gz QDDQMOMJPYXUOU-UHFFFAOYSA-N 1 2 468.428 6.185 40 0 JKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(Cl)cc4Cl)cc3n2)cc1 ZINC000022704021 555942630 /nfs/dbraw/zinc/94/26/30/555942630.db2.gz PHXZPXRFYNBQGQ-UHFFFAOYSA-N 1 2 468.388 6.134 40 0 JKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=O)COc4ccc(C(C)(C)C)cc4)cc3n2)cc1 ZINC000022743245 555949816 /nfs/dbraw/zinc/94/98/16/555949816.db2.gz WOVGRTIUMWCXGY-UHFFFAOYSA-N 1 2 485.632 5.890 40 0 JKABLO CCOc1cc(OCC)cc(C(=O)Nc2cc3nn(-c4ccc([NH+](CC)CC)cc4)nc3cc2C)c1 ZINC000022745585 555950870 /nfs/dbraw/zinc/95/08/70/555950870.db2.gz QXHCETNUWGZVQU-UHFFFAOYSA-N 1 2 487.604 5.625 40 0 JKABLO Cc1ccc(-c2ccc(/C=C/C(=O)NC(=S)Nc3ccc(C[NH+]4CCOCC4)cc3)o2)cc1Cl ZINC000022755744 555953700 /nfs/dbraw/zinc/95/37/00/555953700.db2.gz JHCCXGMYLFLBEC-PKNBQFBNSA-N 1 2 496.032 5.267 40 0 JKABLO C[N@@H+]1C[C@@H](NC(=O)c2ccc(C(C)(C)C)cc2)C[C@H]1c1nc(-c2ccc3ccccc3c2)no1 ZINC000012529896 555999735 /nfs/dbraw/zinc/99/97/35/555999735.db2.gz IOMUWMDLOAWKNN-ZEQRLZLVSA-N 1 2 454.574 5.363 40 0 biogenic,in-vitro JKABLO C[N@H+]1C[C@@H](NC(=O)c2ccc(C(C)(C)C)cc2)C[C@H]1c1nc(-c2ccc3ccccc3c2)no1 ZINC000012529896 555999737 /nfs/dbraw/zinc/99/97/37/555999737.db2.gz IOMUWMDLOAWKNN-ZEQRLZLVSA-N 1 2 454.574 5.363 40 0 biogenic,in-vitro JKABLO O=C(CCn1c(CN2CC[NH+](C/C=C\c3ccccc3)CC2)nc2ccccc21)c1ccccc1 ZINC000023477236 556074663 /nfs/dbraw/zinc/07/46/63/556074663.db2.gz VIAYOUBFHWUVLW-XFXZXTDPSA-N 1 2 464.613 5.140 40 0 JKABLO O=C(CSc1[nH+]cnc2c1cnn2-c1ccccc1Cl)Nc1ccccc1-c1ccccc1 ZINC000012643345 556096746 /nfs/dbraw/zinc/09/67/46/556096746.db2.gz FMVBSGOHLQEMQW-UHFFFAOYSA-N 1 2 471.973 5.867 40 0 JKABLO CCOC(=O)[C@H](CC)Sc1[nH+]cnc2c1c(-c1ccccc1)cn2-c1cccc(Cl)c1 ZINC000016757788 556157793 /nfs/dbraw/zinc/15/77/93/556157793.db2.gz IBXMWAPKZZRVCD-FQEVSTJZSA-N 1 2 451.979 6.175 40 0 JKABLO CCOc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3SCc2ccc(C)cc2C)cc1 ZINC000016757530 556157802 /nfs/dbraw/zinc/15/78/02/556157802.db2.gz QSBKDFQVVZETLQ-UHFFFAOYSA-N 1 2 465.622 7.395 40 0 JKABLO CCOC(=O)C[C@H](CC)Sc1[nH+]cnc2c1c(-c1ccccc1)cn2-c1ccc(OCC)cc1 ZINC000016757527 556157814 /nfs/dbraw/zinc/15/78/14/556157814.db2.gz LUEIXVQSUXIXDM-QFIPXVFZSA-N 1 2 475.614 6.310 40 0 JKABLO CCOC(=O)[C@@H](CC)Sc1[nH+]cnc2c1c(-c1ccccc1)cn2-c1ccc(Cl)cc1 ZINC000016757881 556157819 /nfs/dbraw/zinc/15/78/19/556157819.db2.gz RPDWGMOHILMGIR-HXUWFJFHSA-N 1 2 451.979 6.175 40 0 JKABLO Cc1ccc(CSc2[nH+]cnc3c2c(-c2ccccc2)cn3-c2ccc(Br)cc2)cc1 ZINC000016757997 556158062 /nfs/dbraw/zinc/15/80/62/556158062.db2.gz TVWLJZLRBQCXDQ-UHFFFAOYSA-N 1 2 486.438 7.451 40 0 JKABLO CCOC(=O)[C@@H](C)Sc1[nH+]cnc2c1c(-c1ccccc1)cn2-c1ccc(Br)cc1 ZINC000016757942 556158084 /nfs/dbraw/zinc/15/80/84/556158084.db2.gz WVJNBOZEJXNTIA-OAHLLOKOSA-N 1 2 482.403 5.894 40 0 JKABLO CC[C@H](Sc1[nH+]cnc2c1c(-c1ccccc1)cn2-c1ccc(Br)cc1)C(=O)OC ZINC000016757966 556158184 /nfs/dbraw/zinc/15/81/84/556158184.db2.gz JPTYEYFJWNQSBO-IBGZPJMESA-N 1 2 482.403 5.894 40 0 JKABLO Cc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3SCC(=O)c2ccccc2)cc1Cl ZINC000016758096 556158492 /nfs/dbraw/zinc/15/84/92/556158492.db2.gz GUKRJPLCVKQSFN-UHFFFAOYSA-N 1 2 469.997 7.024 40 0 JKABLO CCOC(=O)[C@H](CC)Sc1[nH+]cnc2c1c(-c1ccccc1)cn2-c1ccc(C)c(Cl)c1 ZINC000016758061 556158528 /nfs/dbraw/zinc/15/85/28/556158528.db2.gz MQJXYFYMQIZUPU-NRFANRHFSA-N 1 2 466.006 6.483 40 0 JKABLO CCC[N@@H+](Cc1ccccc1)Cn1nc2n(c1=S)c1ccccc1c(=O)n2-c1ccccc1C ZINC000013073525 556273520 /nfs/dbraw/zinc/27/35/20/556273520.db2.gz FGSZSLAJXSDRMW-UHFFFAOYSA-N 1 2 469.614 5.348 40 0 JKABLO CCC[N@H+](Cc1ccccc1)Cn1nc2n(c1=S)c1ccccc1c(=O)n2-c1ccccc1C ZINC000013073525 556273524 /nfs/dbraw/zinc/27/35/24/556273524.db2.gz FGSZSLAJXSDRMW-UHFFFAOYSA-N 1 2 469.614 5.348 40 0 JKABLO Cc1ccccc1NC(=O)COc1nc(C[NH+]2CCCCC2)nc2scc(-c3cccs3)c21 ZINC000028616780 556337212 /nfs/dbraw/zinc/33/72/12/556337212.db2.gz DVRBGIMQWWVEPK-UHFFFAOYSA-N 1 2 478.643 5.732 40 0 JKABLO CCCN1CN(c2ccc(C)cc2)C2=N[C@@H](c3ccccc3)[NH+]=C(Nc3ccc(C)cc3)N2C1 ZINC000030874467 556386118 /nfs/dbraw/zinc/38/61/18/556386118.db2.gz DHSCFCZMVAUTFD-SANMLTNESA-N 1 2 452.606 5.589 40 0 JKABLO Cc1ccc2[nH]c(C[C@@H]3C[C@@H](C(C)C)[C@H](CNC(=O)c4ccnc(Cl)c4)C=C3C)[nH+]c2c1 ZINC000072320849 560077157 /nfs/dbraw/zinc/07/71/57/560077157.db2.gz XHDWBMWVKAJWKO-ACRUOGEOSA-N 1 2 451.014 5.747 40 0 biogenic,in-vitro JKABLO Cc1ccc2[nH+]c(C[C@@H]3C[C@@H](C(C)C)[C@H](CNC(=O)c4ccnc(Cl)c4)C=C3C)[nH]c2c1 ZINC000072320849 560077158 /nfs/dbraw/zinc/07/71/58/560077158.db2.gz XHDWBMWVKAJWKO-ACRUOGEOSA-N 1 2 451.014 5.747 40 0 biogenic,in-vitro JKABLO CC1=C[C@@H](CNC(=O)c2ccnc(Cl)c2)[C@H](C(C)C)C[C@H]1Cc1[nH]c2ccc(F)cc2[nH+]1 ZINC000072320865 560077748 /nfs/dbraw/zinc/07/77/48/560077748.db2.gz WTKNNMLCNSHDPK-BJLQDIEVSA-N 1 2 454.977 5.578 40 0 biogenic,in-vitro JKABLO Cc1cccc2cc(C[N@@H+](Cc3cccs3)[C@@H](c3nnnn3C3CCCC3)C(C)C)c(=O)[nH]c12 ZINC000008674177 562950498 /nfs/dbraw/zinc/95/04/98/562950498.db2.gz RUSMMCWHLBQXAL-XMMPIXPASA-N 1 2 476.650 5.811 40 0 aggregator JKABLO Cc1cccc2cc(C[N@H+](Cc3cccs3)[C@@H](c3nnnn3C3CCCC3)C(C)C)c(=O)[nH]c12 ZINC000008674177 562950499 /nfs/dbraw/zinc/95/04/99/562950499.db2.gz RUSMMCWHLBQXAL-XMMPIXPASA-N 1 2 476.650 5.811 40 0 aggregator JKABLO CCc1cc([C@H](c2ccc(F)cc2)[NH+]2CCN(c3ccccc3)CC2)c(NC(=O)c2ccccc2)s1 ZINC000054350355 569589933 /nfs/dbraw/zinc/58/99/33/569589933.db2.gz LTQQVIZLLYZEGV-NDEPHWFRSA-N 1 2 499.655 6.614 40 0 JKABLO CC(C)(C)OC(=O)N1CCN(c2ccc([C@@H]3CCCCN3C(=O)OCc3ccccc3)c[nH+]2)CC1 ZINC000072216432 569700462 /nfs/dbraw/zinc/70/04/62/569700462.db2.gz NUHSNTSCRPTRAW-QHCPKHFHSA-N 1 2 480.609 5.003 40 0 JKABLO O=C(C[NH+]1CCN(c2nc(-c3ccc(Cl)cc3)cs2)CC1)N(c1ccccc1)c1ccccc1 ZINC000036351085 569771140 /nfs/dbraw/zinc/77/11/40/569771140.db2.gz PDBLOGXHKXQOSN-UHFFFAOYSA-N 1 2 489.044 5.950 40 0 JKABLO Cc1cc(C)c(S(=O)(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1Br ZINC000041091752 569837585 /nfs/dbraw/zinc/83/75/85/569837585.db2.gz QSKGRQBPEHLWMV-UHFFFAOYSA-N 1 2 499.474 5.162 40 0 JKABLO Cc1cc(Cl)c(Cl)cc1S(=O)(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000041091735 569837619 /nfs/dbraw/zinc/83/76/19/569837619.db2.gz IPOBESYVLPJRHQ-UHFFFAOYSA-N 1 2 475.441 5.398 40 0 JKABLO CC[C@@H](c1ccc(F)cc1)[N@H+](Cc1nnc2n1c1ccccc1c(=O)n2C)Cc1cccc(F)c1 ZINC000048311877 569845673 /nfs/dbraw/zinc/84/56/73/569845673.db2.gz SWIRGTZMUBRDIT-QHCPKHFHSA-N 1 2 473.527 5.013 40 0 JKABLO CC[C@@H](c1ccc(F)cc1)[N@@H+](Cc1nnc2n1c1ccccc1c(=O)n2C)Cc1cccc(F)c1 ZINC000048311877 569845674 /nfs/dbraw/zinc/84/56/74/569845674.db2.gz SWIRGTZMUBRDIT-QHCPKHFHSA-N 1 2 473.527 5.013 40 0 JKABLO COc1ccc2c(c1)C[N@H+]([C@@H](C)[C@H]1CC[C@H]3[C@@H]4CC[C@@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]13C)CO2 ZINC000118915651 569863084 /nfs/dbraw/zinc/86/30/84/569863084.db2.gz JVEDHWWWBFCUKI-HSGIZFOHSA-N 1 2 467.694 6.255 40 0 in-vitro JKABLO COc1ccc2c(c1)C[N@@H+]([C@@H](C)[C@H]1CC[C@H]3[C@@H]4CC[C@@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]13C)CO2 ZINC000118915651 569863085 /nfs/dbraw/zinc/86/30/85/569863085.db2.gz JVEDHWWWBFCUKI-HSGIZFOHSA-N 1 2 467.694 6.255 40 0 in-vitro JKABLO Cc1c(Br)ccc(NC(=O)COC(=O)C[NH+](Cc2ccccc2)Cc2ccccc2)c1C ZINC000138725461 569866285 /nfs/dbraw/zinc/86/62/85/569866285.db2.gz HFPKCNLQAGTYDN-UHFFFAOYSA-N 1 2 495.417 5.250 40 0 JKABLO COc1ccc(C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)cc1COc1cccc(C)c1 ZINC000224117438 569933735 /nfs/dbraw/zinc/93/37/35/569933735.db2.gz AMDGDIOVAVPSJD-YRNVUSSQSA-N 1 2 456.586 5.054 40 0 JKABLO COc1ccc(C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)cc1COc1cccc(Cl)c1 ZINC000224152962 569934638 /nfs/dbraw/zinc/93/46/38/569934638.db2.gz BPULWJZYTDQLJS-RMKNXTFCSA-N 1 2 477.004 5.399 40 0 JKABLO Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2ccc([NH+](C)C)cc2)cc1 ZINC000224210652 569936689 /nfs/dbraw/zinc/93/66/89/569936689.db2.gz LBQAWRLVAWDXIX-CLJLJLNGSA-N 1 2 453.615 5.424 40 0 JKABLO COc1ccc(C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)cc1CSc1ccc(C)cc1 ZINC000224343538 569941252 /nfs/dbraw/zinc/94/12/52/569941252.db2.gz ICWWCGMKYKKNKJ-RMKNXTFCSA-N 1 2 472.654 5.767 40 0 JKABLO CC(C)c1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc([NH+](C)C)cc2)cc1 ZINC000224375320 569942465 /nfs/dbraw/zinc/94/24/65/569942465.db2.gz PASDNYARETWSGD-NSOVKSMOSA-N 1 2 481.669 6.239 40 0 JKABLO C[NH+](C)c1ccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)cc1 ZINC000224407053 569943598 /nfs/dbraw/zinc/94/35/98/569943598.db2.gz JVDUONYHHDRYIP-DQEYMECFSA-N 1 2 457.578 5.255 40 0 JKABLO CCOc1ccc(C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)cc1COc1cccc(C)c1 ZINC000224462655 569945221 /nfs/dbraw/zinc/94/52/21/569945221.db2.gz XSRFEXUHJMXEFC-XYOKQWHBSA-N 1 2 470.613 5.444 40 0 JKABLO C[NH+](C)c1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)cc1 ZINC000224472073 569945452 /nfs/dbraw/zinc/94/54/52/569945452.db2.gz YFAVOLUYUMVIQU-JWQCQUIFSA-N 1 2 474.033 5.769 40 0 JKABLO COc1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc([NH+](C)C)cc1 ZINC000224575454 569949145 /nfs/dbraw/zinc/94/91/45/569949145.db2.gz BQJJKNBCCBLXDR-UIOOFZCWSA-N 1 2 469.614 5.124 40 0 JKABLO CCOc1ccc(C(=O)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)cc1CSc1ccccc1 ZINC000224656022 569952411 /nfs/dbraw/zinc/95/24/11/569952411.db2.gz FYIHOPDKHRIOIF-UHFFFAOYSA-N 1 2 490.625 5.064 40 0 JKABLO CCOc1ccc(C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)cc1CSc1ccc(C)cc1 ZINC000224668778 569953002 /nfs/dbraw/zinc/95/30/02/569953002.db2.gz CIFLLGUIOUSIET-JXMROGBWSA-N 1 2 486.681 6.157 40 0 JKABLO COc1ccc(OC)c(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2ccc([NH+](C)C)cc2)c1 ZINC000224846914 569960257 /nfs/dbraw/zinc/96/02/57/569960257.db2.gz CKSULVKBLYVXDR-KAYWLYCHSA-N 1 2 499.640 5.133 40 0 JKABLO C[NH+](C)c1ccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2CCCNc2ccccc2)cc1 ZINC000225050982 569971962 /nfs/dbraw/zinc/97/19/62/569971962.db2.gz VUSKAZOJMONBAB-NSOVKSMOSA-N 1 2 496.684 5.413 40 0 JKABLO Cc1ccc(COc2cccc([C@@H]3C(C(=O)Nc4ccc(Cl)cc4)=C(C)[NH+]=C4N=CNN43)c2)cc1 ZINC000408627878 569981274 /nfs/dbraw/zinc/98/12/74/569981274.db2.gz QTZDWYVWOBLQQL-RUZDIDTESA-N 1 2 485.975 5.399 40 0 JKABLO O=C(C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)c1c(-c2ccccc2)cc2ccccn21 ZINC000408635657 569985961 /nfs/dbraw/zinc/98/59/61/569985961.db2.gz GUHARPHXLRVMEP-UHFFFAOYSA-N 1 2 499.614 5.723 40 0 JKABLO CC(C)Oc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2ccc([NH+](C)C)cc2)cc1 ZINC000225350650 569992173 /nfs/dbraw/zinc/99/21/73/569992173.db2.gz NOQGBVOBOVFDDE-WUFINQPMSA-N 1 2 497.668 5.903 40 0 JKABLO CC(C)(C)c1ccc(C(=O)c2cccc(NC(=S)NCc3ccc(-n4cc[nH+]c4)cc3)c2)cc1 ZINC000225454658 569997524 /nfs/dbraw/zinc/99/75/24/569997524.db2.gz UQZZPDIBSUVKHZ-UHFFFAOYSA-N 1 2 468.626 5.887 40 0 JKABLO O=C(COC(=O)C[NH+](Cc1ccccc1)Cc1ccccc1)Nc1cc(C(F)(F)F)ccc1Cl ZINC000408665508 570003958 /nfs/dbraw/zinc/00/39/58/570003958.db2.gz FPLFNMTXUAUPLP-UHFFFAOYSA-N 1 2 490.909 5.543 40 0 JKABLO O=C(COC(=O)C[NH+](Cc1ccccc1)Cc1ccccc1)Nc1ccc(Oc2ccccc2)cc1 ZINC000408666357 570004638 /nfs/dbraw/zinc/00/46/38/570004638.db2.gz HMQSPOXMSMTDEW-UHFFFAOYSA-N 1 2 480.564 5.663 40 0 JKABLO O=C(c1snnc1-c1ccc(Cl)cc1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000225771196 570020902 /nfs/dbraw/zinc/02/09/02/570020902.db2.gz OSXZEITUOLEZCU-UHFFFAOYSA-N 1 2 475.017 5.406 40 0 JKABLO CCCCCOc1ccc([C@@H]2C(C(=O)Nc3ccc(Cl)cc3)=C(C)[NH+]=C3N=CNN32)cc1 ZINC000408704296 570023886 /nfs/dbraw/zinc/02/38/86/570023886.db2.gz LKWFIBMPDHVAIA-JOCHJYFZSA-N 1 2 451.958 5.081 40 0 JKABLO CCOc1cc(C)c(Cl)cc1S(=O)(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000231430225 570046640 /nfs/dbraw/zinc/04/66/40/570046640.db2.gz ZZZLLODXUVPFQJ-UHFFFAOYSA-N 1 2 485.049 5.143 40 0 JKABLO O=C(Nc1ccccc1C(F)(F)F)c1ccc(C[NH+]2CCN(Cc3ccccc3)CC2)cc1 ZINC000408843731 570054086 /nfs/dbraw/zinc/05/40/86/570054086.db2.gz TUTIHXRPXFEHAM-UHFFFAOYSA-N 1 2 453.508 5.276 40 0 JKABLO Cc1cc(C)cc(-n2c3nn(C[N@@H+]4CCC[C@H]5CCCC[C@H]54)c(=S)n3c3ccccc3c2=O)c1 ZINC000245237516 570057218 /nfs/dbraw/zinc/05/72/18/570057218.db2.gz LPLRCMBVUMISMH-NFBKMPQASA-N 1 2 473.646 5.398 40 0 JKABLO Cc1cc(C)cc(-n2c3nn(C[N@H+]4CCC[C@H]5CCCC[C@H]54)c(=S)n3c3ccccc3c2=O)c1 ZINC000245237516 570057219 /nfs/dbraw/zinc/05/72/19/570057219.db2.gz LPLRCMBVUMISMH-NFBKMPQASA-N 1 2 473.646 5.398 40 0 JKABLO C=C1[NH+]=C(SCc2ccc(F)cc2)N[C@@H](c2cccc(Cl)c2Cl)C1C(=O)OCC ZINC000408994401 570095177 /nfs/dbraw/zinc/09/51/77/570095177.db2.gz ZLUKPDSRFWTNIF-IBGZPJMESA-N 1 2 453.366 5.903 40 0 JKABLO CCC(C)(C)n1nnnc1[C@H](C(C)C)[N@@H+](Cc1cc2cc(C)c(C)cc2[nH]c1=O)C[C@H]1CCCO1 ZINC000253500331 570101469 /nfs/dbraw/zinc/10/14/69/570101469.db2.gz CRFBTRPWWUJKPV-VWNXMTODSA-N 1 2 480.657 5.067 40 0 JKABLO CCC(C)(C)n1nnnc1[C@H](C(C)C)[N@H+](Cc1cc2cc(C)c(C)cc2[nH]c1=O)C[C@H]1CCCO1 ZINC000253500331 570101471 /nfs/dbraw/zinc/10/14/71/570101471.db2.gz CRFBTRPWWUJKPV-VWNXMTODSA-N 1 2 480.657 5.067 40 0 JKABLO Cc1cc2cc(C[N@@H+](C[C@H]3CCCO3)[C@H](c3nnnn3C3CCCC3)C(C)C)c(=O)[nH]c2cc1C ZINC000253500426 570101735 /nfs/dbraw/zinc/10/17/35/570101735.db2.gz MWQIVRNBSVSSJW-NOZRDPDXSA-N 1 2 478.641 5.037 40 0 JKABLO Cc1cc2cc(C[N@H+](C[C@H]3CCCO3)[C@H](c3nnnn3C3CCCC3)C(C)C)c(=O)[nH]c2cc1C ZINC000253500426 570101737 /nfs/dbraw/zinc/10/17/37/570101737.db2.gz MWQIVRNBSVSSJW-NOZRDPDXSA-N 1 2 478.641 5.037 40 0 JKABLO CCC(C)(C)n1nnnc1[C@H](C(C)C)[N@@H+](Cc1cc2cc(C)cc(C)c2[nH]c1=O)C[C@H]1CCCO1 ZINC000253500416 570101766 /nfs/dbraw/zinc/10/17/66/570101766.db2.gz LBMKNRJQXLLTQD-VWNXMTODSA-N 1 2 480.657 5.067 40 0 JKABLO CCC(C)(C)n1nnnc1[C@H](C(C)C)[N@H+](Cc1cc2cc(C)cc(C)c2[nH]c1=O)C[C@H]1CCCO1 ZINC000253500416 570101767 /nfs/dbraw/zinc/10/17/67/570101767.db2.gz LBMKNRJQXLLTQD-VWNXMTODSA-N 1 2 480.657 5.067 40 0 JKABLO CCC[C@@H](c1nnnn1C1CCCC1)[N@@H+](Cc1cc2cc(C)c(C)cc2[nH]c1=O)C[C@H]1CCCO1 ZINC000253500470 570101928 /nfs/dbraw/zinc/10/19/28/570101928.db2.gz PXTTYGXMJMLZJK-NOZRDPDXSA-N 1 2 478.641 5.181 40 0 JKABLO CCC[C@@H](c1nnnn1C1CCCC1)[N@H+](Cc1cc2cc(C)c(C)cc2[nH]c1=O)C[C@H]1CCCO1 ZINC000253500470 570101930 /nfs/dbraw/zinc/10/19/30/570101930.db2.gz PXTTYGXMJMLZJK-NOZRDPDXSA-N 1 2 478.641 5.181 40 0 JKABLO CC[C@H](c1nnnn1C1CCCCC1)[N@@H+](Cc1cc2cc(C)c(C)cc2[nH]c1=O)C[C@H]1CCCO1 ZINC000253500461 570101991 /nfs/dbraw/zinc/10/19/91/570101991.db2.gz PGUFOLGINAZJMZ-ILBGXUMGSA-N 1 2 478.641 5.181 40 0 JKABLO CC[C@H](c1nnnn1C1CCCCC1)[N@H+](Cc1cc2cc(C)c(C)cc2[nH]c1=O)C[C@H]1CCCO1 ZINC000253500461 570101993 /nfs/dbraw/zinc/10/19/93/570101993.db2.gz PGUFOLGINAZJMZ-ILBGXUMGSA-N 1 2 478.641 5.181 40 0 JKABLO Cc1cccc2cc(C[N@@H+](C[C@H]3CCCO3)[C@H](c3nnnn3C3CCCCC3)C(C)C)c(=O)[nH]c12 ZINC000253500501 570102000 /nfs/dbraw/zinc/10/20/00/570102000.db2.gz RWVCMBZJEHBZEB-NOZRDPDXSA-N 1 2 478.641 5.119 40 0 JKABLO Cc1cccc2cc(C[N@H+](C[C@H]3CCCO3)[C@H](c3nnnn3C3CCCCC3)C(C)C)c(=O)[nH]c12 ZINC000253500501 570102001 /nfs/dbraw/zinc/10/20/01/570102001.db2.gz RWVCMBZJEHBZEB-NOZRDPDXSA-N 1 2 478.641 5.119 40 0 JKABLO Cc1ccc(C(=O)N2CCC[C@H](Cc3cccn4cc[nH+]c34)CC2)cc1NCc1ccncc1 ZINC000257215846 570112947 /nfs/dbraw/zinc/11/29/47/570112947.db2.gz CRXKRZKDSRBQBA-QFIPXVFZSA-N 1 2 453.590 5.135 40 0 JKABLO O=C(OCc1ccccc1)N1C[C@@H](O)[C@H]([N@H+](Cc2ccc(Cl)cc2)Cc2cccc(F)c2F)C1 ZINC000257223168 570115005 /nfs/dbraw/zinc/11/50/05/570115005.db2.gz DWFMHALKJLHHJP-DNQXCXABSA-N 1 2 486.946 5.002 40 0 JKABLO O=C(OCc1ccccc1)N1C[C@@H](O)[C@H]([N@@H+](Cc2ccc(Cl)cc2)Cc2cccc(F)c2F)C1 ZINC000257223168 570115006 /nfs/dbraw/zinc/11/50/06/570115006.db2.gz DWFMHALKJLHHJP-DNQXCXABSA-N 1 2 486.946 5.002 40 0 JKABLO O=C(OCc1ccccc1)N1C[C@@H](O)[C@H]([N@H+](Cc2cc(F)cc(F)c2)Cc2ccccc2Cl)C1 ZINC000257233120 570118031 /nfs/dbraw/zinc/11/80/31/570118031.db2.gz GNXDKKXYOAISEV-JWQCQUIFSA-N 1 2 486.946 5.002 40 0 JKABLO O=C(OCc1ccccc1)N1C[C@@H](O)[C@H]([N@@H+](Cc2cc(F)cc(F)c2)Cc2ccccc2Cl)C1 ZINC000257233120 570118032 /nfs/dbraw/zinc/11/80/32/570118032.db2.gz GNXDKKXYOAISEV-JWQCQUIFSA-N 1 2 486.946 5.002 40 0 JKABLO CCc1[nH+]ccn1-c1ccc(C(=O)N2CCC[C@H](c3ncc(Cc4cccc(Cl)c4)o3)C2)cn1 ZINC000257238470 570119776 /nfs/dbraw/zinc/11/97/76/570119776.db2.gz HLCQUZQYGVDZTC-FQEVSTJZSA-N 1 2 475.980 5.082 40 0 JKABLO CC1(C)Oc2ccc(Cl)cc2[C@H]2O[C@H]3CCN(C(=O)c4cccc(Cn5cc[nH+]c5)c4)C[C@H]3C[C@@H]21 ZINC000257239008 570119874 /nfs/dbraw/zinc/11/98/74/570119874.db2.gz HNNKITFMVAEIEP-IQMDFIRISA-N 1 2 492.019 5.364 40 0 JKABLO CC1(C)Oc2ccc(Cl)cc2[C@@H]2O[C@@H]3CCN(C(=O)c4cccc(Cn5cc[nH+]c5)c4)C[C@H]3C[C@H]21 ZINC000257239007 570119941 /nfs/dbraw/zinc/11/99/41/570119941.db2.gz HNNKITFMVAEIEP-DWVBLMAMSA-N 1 2 492.019 5.364 40 0 JKABLO CCCCC[C@]1(O)CC[N@H+](CC(=O)Nc2cccc(C(F)(F)F)c2)C[C@@H]1Oc1ccccc1 ZINC000257254634 570124623 /nfs/dbraw/zinc/12/46/23/570124623.db2.gz KEBGVMLRTFCWMM-UPVQGACJSA-N 1 2 464.528 5.109 40 0 JKABLO CCCCC[C@]1(O)CC[N@@H+](CC(=O)Nc2cccc(C(F)(F)F)c2)C[C@@H]1Oc1ccccc1 ZINC000257254634 570124624 /nfs/dbraw/zinc/12/46/24/570124624.db2.gz KEBGVMLRTFCWMM-UPVQGACJSA-N 1 2 464.528 5.109 40 0 JKABLO Cc1cc(Oc2ccc(F)cc2)nc([C@H]2CCCCN2C(=O)c2ccccc2Cn2cc[nH+]c2)n1 ZINC000257272252 570130351 /nfs/dbraw/zinc/13/03/51/570130351.db2.gz NBQLORHZKMPFGQ-XMMPIXPASA-N 1 2 471.536 5.329 40 0 JKABLO Cc1ccc(Oc2cc(C)nc([C@H]3CCCCN3C(=O)c3ccccc3Cn3cc[nH+]c3)n2)cc1 ZINC000257286771 570134568 /nfs/dbraw/zinc/13/45/68/570134568.db2.gz PMZMKTPZEHAEKE-RUZDIDTESA-N 1 2 467.573 5.498 40 0 JKABLO Cc1ccc(Oc2cc(C)nc([C@H]3CCCCN3C(=O)c3cccc(Cn4cc[nH+]c4)c3)n2)cc1 ZINC000257305733 570139978 /nfs/dbraw/zinc/13/99/78/570139978.db2.gz SRHGGHJPYTUTEB-RUZDIDTESA-N 1 2 467.573 5.498 40 0 JKABLO CCCCC[C@]1(O)CC[N@H+](CC(=O)Nc2nc(-c3ccc(F)cc3)cs2)C[C@@H]1Oc1ccccc1 ZINC000257329817 570147524 /nfs/dbraw/zinc/14/75/24/570147524.db2.gz XLQUGOFEXTXGIH-IGKIAQTJSA-N 1 2 497.636 5.352 40 0 JKABLO CCCCC[C@]1(O)CC[N@@H+](CC(=O)Nc2nc(-c3ccc(F)cc3)cs2)C[C@@H]1Oc1ccccc1 ZINC000257329817 570147526 /nfs/dbraw/zinc/14/75/26/570147526.db2.gz XLQUGOFEXTXGIH-IGKIAQTJSA-N 1 2 497.636 5.352 40 0 JKABLO Cc1sc(NC(=O)C[N@@H+]2CC[C@@]3(CCCO3)[C@H](OCc3ccccc3)C2)nc1-c1ccc(F)cc1 ZINC000257334046 570148726 /nfs/dbraw/zinc/14/87/26/570148726.db2.gz YEIGJCZCWLXLGX-KCWPFWIISA-N 1 2 495.620 5.036 40 0 JKABLO Cc1sc(NC(=O)C[N@H+]2CC[C@@]3(CCCO3)[C@H](OCc3ccccc3)C2)nc1-c1ccc(F)cc1 ZINC000257334046 570148727 /nfs/dbraw/zinc/14/87/27/570148727.db2.gz YEIGJCZCWLXLGX-KCWPFWIISA-N 1 2 495.620 5.036 40 0 JKABLO CC(C)[C@H]1C[C@@H]2CN(C(=O)c3cccc(Cn4cc[nH+]c4)c3)CC[C@@H]2O[C@@H]1c1ccc(F)cc1 ZINC000257337049 570149565 /nfs/dbraw/zinc/14/95/65/570149565.db2.gz YRDNQAIOMBQVSH-ZRIRBKMQSA-N 1 2 461.581 5.335 40 0 JKABLO CCCC1=C(C(=O)OCC)[C@H](c2ccc(OCc3ccc(Cl)cc3Cl)cc2)N2NC=NC2=[NH+]1 ZINC000409177339 570157541 /nfs/dbraw/zinc/15/75/41/570157541.db2.gz DUASPRWEAMGJQO-QFIPXVFZSA-N 1 2 487.387 5.449 40 0 JKABLO CCCC1=C(C(=O)OCC)[C@H](c2ccc(OCc3ccc(Cl)cc3Cl)cc2)N2NC=[NH+]C2=N1 ZINC000409177339 570157543 /nfs/dbraw/zinc/15/75/43/570157543.db2.gz DUASPRWEAMGJQO-QFIPXVFZSA-N 1 2 487.387 5.449 40 0 JKABLO CSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@@H]2c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 ZINC000261361731 570167221 /nfs/dbraw/zinc/16/72/21/570167221.db2.gz BSDPEVXVEKIOHL-DEOSSOPVSA-O 1 2 493.653 5.073 40 0 JKABLO CSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@H]2c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 ZINC000261361732 570167363 /nfs/dbraw/zinc/16/73/63/570167363.db2.gz BSDPEVXVEKIOHL-XMMPIXPASA-O 1 2 493.653 5.073 40 0 JKABLO O=c1[nH]c(SCc2ccc(Cl)cc2)n[n+]2c1-c1ccccc1N[C@H]2c1cccc(O)c1Cl ZINC000261361978 570167380 /nfs/dbraw/zinc/16/73/80/570167380.db2.gz BOCWQUKZKJFNBZ-OAQYLSRUSA-O 1 2 484.388 5.414 40 0 JKABLO CCOc1ccc2ccccc2c1[C@@H]1N(C(=O)CC)c2ccccc2-c2c(=O)[nH]c(SCC)n[n+]21 ZINC000261362429 570167608 /nfs/dbraw/zinc/16/76/08/570167608.db2.gz CYPFFGBLMLUBLP-AREMUKBSSA-O 1 2 487.605 5.104 40 0 JKABLO CCCCCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N[C@H]2c1cc(Cl)c(O)c(OC)c1 ZINC000261362565 570167728 /nfs/dbraw/zinc/16/77/28/570167728.db2.gz LFFBHDABPYOKGE-OAQYLSRUSA-O 1 2 474.006 5.149 40 0 JKABLO CCC(=O)N1c2ccccc2-c2c(=O)[nH]c(SC)n[n+]2[C@@H]1c1ccc(-c2ccc(C)c(Cl)c2)o1 ZINC000261364299 570168406 /nfs/dbraw/zinc/16/84/06/570168406.db2.gz KMWWYXPARHNPEV-XMMPIXPASA-O 1 2 493.996 5.384 40 0 JKABLO Cc1ccc(CSc2n[n+]3c(c(=O)[nH]2)-c2ccccc2N[C@@H]3c2cccc(O)c2Cl)cc1 ZINC000261365038 570168931 /nfs/dbraw/zinc/16/89/31/570168931.db2.gz POMBUDGUHBBBGV-QFIPXVFZSA-O 1 2 463.970 5.069 40 0 JKABLO CCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N[C@@H]2c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 ZINC000261365311 570169059 /nfs/dbraw/zinc/16/90/59/570169059.db2.gz RHIOTAZOLZHYOV-QHCPKHFHSA-O 1 2 479.670 5.912 40 0 JKABLO Cc1ccc(CSc2n[n+]3c(c(=O)[nH]2)-c2ccccc2N[C@H]3c2ccc(O)c(Cl)c2)cc1 ZINC000261365818 570169196 /nfs/dbraw/zinc/16/91/96/570169196.db2.gz VMLVHUMAKYEZII-JOCHJYFZSA-O 1 2 463.970 5.069 40 0 JKABLO CCCCCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@H]2c1ccc(OC)c(C)c1 ZINC000261365873 570169216 /nfs/dbraw/zinc/16/92/16/570169216.db2.gz VYORWMGVLHUULY-RUZDIDTESA-O 1 2 479.626 5.040 40 0 JKABLO Cc1ccc(CSc2n[n+]3c(c(=O)[nH]2)-c2ccccc2N[C@@H]3c2ccc(O)c(Cl)c2)cc1 ZINC000261365819 570169252 /nfs/dbraw/zinc/16/92/52/570169252.db2.gz VMLVHUMAKYEZII-QFIPXVFZSA-O 1 2 463.970 5.069 40 0 JKABLO CCCCCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@@H]2c1ccc(OC)c(C)c1 ZINC000261365874 570169254 /nfs/dbraw/zinc/16/92/54/570169254.db2.gz VYORWMGVLHUULY-VWLOTQADSA-O 1 2 479.626 5.040 40 0 JKABLO O=C(NCc1cccc(C(F)(F)F)c1)c1nc([C@@H]2CCC[N@@H+]2Cc2ccccn2)n2ccccc12 ZINC000306144726 570178708 /nfs/dbraw/zinc/17/87/08/570178708.db2.gz ZNFFBJCMMLLOQY-QFIPXVFZSA-N 1 2 479.506 5.015 40 0 JKABLO O=C(NCc1cccc(C(F)(F)F)c1)c1nc([C@@H]2CCC[N@H+]2Cc2ccccn2)n2ccccc12 ZINC000306144726 570178710 /nfs/dbraw/zinc/17/87/10/570178710.db2.gz ZNFFBJCMMLLOQY-QFIPXVFZSA-N 1 2 479.506 5.015 40 0 JKABLO FC(F)(F)c1ccc(Nc2cc(-c3ccccc3)[nH+]c(NC3CCCC3)n2)c(Br)c1 ZINC000328963410 570179565 /nfs/dbraw/zinc/17/95/65/570179565.db2.gz BMQPUTAIJNCQLY-UHFFFAOYSA-N 1 2 477.328 5.867 40 0 JKABLO CC(C)[C@@H](CO)Nc1nc(Nc2ccc(Cl)c(C(F)(F)F)c2)cc(-c2ccccc2)[nH+]1 ZINC000328965241 570179670 /nfs/dbraw/zinc/17/96/70/570179670.db2.gz CBLMARAWDVARAC-LJQANCHMSA-N 1 2 450.892 5.988 40 0 JKABLO CCNc1nc(Nc2ccc(OC(F)(F)F)c(Cl)c2)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000328967265 570179850 /nfs/dbraw/zinc/17/98/50/570179850.db2.gz CSJVMVKPUQYENI-UHFFFAOYSA-N 1 2 492.807 5.613 40 0 JKABLO COc1cccc(CNc2cc(-c3cccc(OC(F)(F)F)c3)[nH+]c(NC3CCCCC3)n2)c1 ZINC000328971256 570179997 /nfs/dbraw/zinc/17/99/97/570179997.db2.gz DPAIFMUOJJARDB-UHFFFAOYSA-N 1 2 472.511 5.251 40 0 JKABLO FC(F)(F)c1cc(Nc2cc(C3CC3)[nH+]c(NC3CCCCC3)n2)ccc1Br ZINC000328986933 570180619 /nfs/dbraw/zinc/18/06/19/570180619.db2.gz HZHQJAZKWXSSLP-UHFFFAOYSA-N 1 2 455.322 5.467 40 0 JKABLO FC(F)(F)c1ccc(Nc2cc(-c3ccccc3)[nH+]c(NC3CCCCC3)n2)c(Br)c1 ZINC000329016413 570181801 /nfs/dbraw/zinc/18/18/01/570181801.db2.gz NFYBJEKMMVLTCK-UHFFFAOYSA-N 1 2 491.355 6.257 40 0 JKABLO FC(F)(F)c1ccc(Nc2cc(C3CC3)[nH+]c(NC3CCCCC3)n2)c(Br)c1 ZINC000329017412 570181831 /nfs/dbraw/zinc/18/18/31/570181831.db2.gz NLRWHVAREHNTLU-UHFFFAOYSA-N 1 2 455.322 5.467 40 0 JKABLO CC(C)(C)Nc1nc(NCc2ccc(Cl)cc2)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000329022103 570182038 /nfs/dbraw/zinc/18/20/38/570182038.db2.gz OKEUSABXSVMOEU-UHFFFAOYSA-N 1 2 450.892 6.518 40 0 JKABLO CCNc1nc(Nc2ccc(C)c(C(F)(F)F)c2)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000329025762 570182248 /nfs/dbraw/zinc/18/22/48/570182248.db2.gz PIPYHTCJXFIAOG-UHFFFAOYSA-N 1 2 456.390 5.389 40 0 JKABLO Fc1ccc(CNc2cc(-c3cccc(OC(F)(F)F)c3)[nH+]c(NC3CCCCC3)n2)cc1 ZINC000329038685 570182668 /nfs/dbraw/zinc/18/26/68/570182668.db2.gz RUSYQZNCUJVADM-UHFFFAOYSA-N 1 2 460.475 5.382 40 0 JKABLO CC(C)[C@H](CO)Nc1nc(NCc2ccc(Cl)cc2)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000329047850 570183040 /nfs/dbraw/zinc/18/30/40/570183040.db2.gz UHUMHDKQUDSPHV-FQEVSTJZSA-N 1 2 480.918 5.737 40 0 JKABLO Cc1cc(Br)cc(C)c1Nc1cc(-c2ccccc2)[nH+]c(N[C@H](CO)C(C)C)n1 ZINC000329052682 570183185 /nfs/dbraw/zinc/18/31/85/570183185.db2.gz VEIMPKAIMXRAGY-HXUWFJFHSA-N 1 2 455.400 5.695 40 0 JKABLO CC(C)(C)Nc1nc(NCc2cccc(Br)c2)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000329060322 570183286 /nfs/dbraw/zinc/18/32/86/570183286.db2.gz WLOSZRABPAIPML-UHFFFAOYSA-N 1 2 495.343 6.627 40 0 JKABLO CC(C)[C@H](CO)Nc1nc(Nc2ccc(Br)c(C(F)(F)F)c2)cc(-c2ccccc2)[nH+]1 ZINC000329063464 570183427 /nfs/dbraw/zinc/18/34/27/570183427.db2.gz XEWTUZOWSLXPOX-IBGZPJMESA-N 1 2 495.343 6.097 40 0 JKABLO COC(=O)c1c2c(sc1NC(=O)c1ccc(CSc3ccc(Cl)cc3)cc1)C[N@@H+](C)CC2 ZINC000408574803 570205502 /nfs/dbraw/zinc/20/55/02/570205502.db2.gz LJIPVWHOLAPRHN-UHFFFAOYSA-N 1 2 487.046 5.721 40 0 JKABLO COC(=O)c1c2c(sc1NC(=O)c1ccc(CSc3ccc(Cl)cc3)cc1)C[N@H+](C)CC2 ZINC000408574803 570205503 /nfs/dbraw/zinc/20/55/03/570205503.db2.gz LJIPVWHOLAPRHN-UHFFFAOYSA-N 1 2 487.046 5.721 40 0 JKABLO CC[C@@H](C)Oc1cccc(C(=O)Nc2cc3nn(-c4ccc([NH+](CC)CC)cc4)nc3cc2C)c1 ZINC000020611044 195184601 /nfs/dbraw/zinc/18/46/01/195184601.db2.gz PCGKKTYCSKFGSM-HXUWFJFHSA-N 1 2 471.605 6.005 40 0 JKABLO CC[C@H](C)Oc1ccc(C(=O)Nc2cc3nn(-c4ccc([NH+](CC)CC)cc4C)nc3cc2C)cc1 ZINC000020611093 195184652 /nfs/dbraw/zinc/18/46/52/195184652.db2.gz OUTOXYFLTXJGIT-NRFANRHFSA-N 1 2 485.632 6.313 40 0 JKABLO COc1ccc([C@@H]2C(C(=O)Nc3ccc(Cl)cc3)=C(C)Nc3[nH+]c4ccccc4n32)c(OC)c1 ZINC000020797541 195225981 /nfs/dbraw/zinc/22/59/81/195225981.db2.gz SLRBYJOOXZXTHT-XMMPIXPASA-N 1 2 474.948 5.635 40 0 JKABLO CCOc1cc([C@@H]2C(C(=O)Nc3ccc(C)cc3)=C(C)Nc3[nH+]c4ccccc4n32)ccc1O ZINC000020797379 195226156 /nfs/dbraw/zinc/22/61/56/195226156.db2.gz NDJLFHKIZHJIOK-RUZDIDTESA-N 1 2 454.530 5.377 40 0 JKABLO COc1ccc(NC(=O)C2=C(C)Nc3[nH+]c4ccccc4n3[C@@H]2c2cccc(Br)c2)cc1 ZINC000020970277 195257597 /nfs/dbraw/zinc/25/75/97/195257597.db2.gz DRHQLRSGTLERSC-HSZRJFAPSA-N 1 2 489.373 5.735 40 0 JKABLO CCc1ccc(NC(=O)C2=C(C)Nc3[nH+]c4ccccc4n3[C@@H]2c2cccc(OC)c2OC)cc1 ZINC000020970202 195257727 /nfs/dbraw/zinc/25/77/27/195257727.db2.gz QCVVSLYMAIUJFU-RUZDIDTESA-N 1 2 468.557 5.544 40 0 JKABLO CCc1ccc(NC(=O)C2=C(C)Nc3[nH+]c4ccccc4n3[C@H]2c2ccc(Cl)cc2Cl)cc1 ZINC000020970168 195257763 /nfs/dbraw/zinc/25/77/63/195257763.db2.gz ABBIMNHIOFQIGZ-DEOSSOPVSA-N 1 2 477.395 6.833 40 0 JKABLO COc1ccc(NC(=O)C2=C(C)Nc3[nH+]c4ccccc4n3[C@H]2c2cccc(Br)c2)cc1 ZINC000020970281 195257773 /nfs/dbraw/zinc/25/77/73/195257773.db2.gz DRHQLRSGTLERSC-QHCPKHFHSA-N 1 2 489.373 5.735 40 0 JKABLO CCOc1ccc(NC(=O)C2=C(C)Nc3[nH+]c4ccccc4n3[C@H]2c2ccc(Cl)cc2)cc1 ZINC000020970337 195257824 /nfs/dbraw/zinc/25/78/24/195257824.db2.gz QNGMXYOAQCSDIG-DEOSSOPVSA-N 1 2 458.949 6.016 40 0 JKABLO CCOc1ccc(NC(=O)C2=C(C)Nc3[nH+]c4ccccc4n3[C@@H]2c2ccccc2OC)cc1 ZINC000020970381 195257838 /nfs/dbraw/zinc/25/78/38/195257838.db2.gz SJUNOWFSXYGMLS-RUZDIDTESA-N 1 2 454.530 5.371 40 0 JKABLO CCOc1ccc([C@@H]2C(C(=O)Nc3ccccc3OC)=C(C)Nc3[nH+]c4ccccc4n32)cc1 ZINC000020970469 195258053 /nfs/dbraw/zinc/25/80/53/195258053.db2.gz XQXGMQKEZZODNB-RUZDIDTESA-N 1 2 454.530 5.371 40 0 JKABLO CC1=C(C(=O)Nc2ccccc2Cl)[C@@H](c2ccc(C(C)C)cc2)n2c3ccccc3[nH+]c2N1 ZINC000021005503 195265806 /nfs/dbraw/zinc/26/58/06/195265806.db2.gz JTHRSXOLMDNQTO-RUZDIDTESA-N 1 2 456.977 6.741 40 0 JKABLO CC[N@H+](Cc1ccccc1)[C@@H](c1nnnn1C1CCCCC1)c1cc2c(C)cc(C)cc2[nH]c1=O ZINC000057584901 195350938 /nfs/dbraw/zinc/35/09/38/195350938.db2.gz VCZHEPUSQZWFJA-AREMUKBSSA-N 1 2 470.621 5.248 40 0 JKABLO CC[N@@H+](Cc1ccccc1)[C@@H](c1nnnn1C1CCCCC1)c1cc2c(C)cc(C)cc2[nH]c1=O ZINC000057584901 195350939 /nfs/dbraw/zinc/35/09/39/195350939.db2.gz VCZHEPUSQZWFJA-AREMUKBSSA-N 1 2 470.621 5.248 40 0 JKABLO Cc1cc2cc([C@@H](c3nnnn3C3CCCC3)[N@H+]3CC=C(c4ccc(F)cc4)CC3)c(=O)[nH]c2cc1C ZINC000057589919 195351770 /nfs/dbraw/zinc/35/17/70/195351770.db2.gz DCFAURWJGVJPFI-MHZLTWQESA-N 1 2 498.606 5.264 40 0 JKABLO Cc1cc2cc([C@@H](c3nnnn3C3CCCC3)[N@@H+]3CC=C(c4ccc(F)cc4)CC3)c(=O)[nH]c2cc1C ZINC000057589919 195351773 /nfs/dbraw/zinc/35/17/73/195351773.db2.gz DCFAURWJGVJPFI-MHZLTWQESA-N 1 2 498.606 5.264 40 0 JKABLO Cc1cc2cc([C@H](c3nnnn3C3CCCC3)[N@H+]3CC=C(c4ccc(F)cc4)CC3)c(=O)[nH]c2cc1C ZINC000057589920 195351865 /nfs/dbraw/zinc/35/18/65/195351865.db2.gz DCFAURWJGVJPFI-HHHXNRCGSA-N 1 2 498.606 5.264 40 0 JKABLO Cc1cc2cc([C@H](c3nnnn3C3CCCC3)[N@@H+]3CC=C(c4ccc(F)cc4)CC3)c(=O)[nH]c2cc1C ZINC000057589920 195351867 /nfs/dbraw/zinc/35/18/67/195351867.db2.gz DCFAURWJGVJPFI-HHHXNRCGSA-N 1 2 498.606 5.264 40 0 JKABLO CCc1ccc2[nH]c(=O)c(C[N@@H+](Cc3ccccc3)[C@H](CC)c3nnnn3C3CCCC3)cc2c1 ZINC000057640585 195354176 /nfs/dbraw/zinc/35/41/76/195354176.db2.gz UTCMMAUCKLENEA-AREMUKBSSA-N 1 2 470.621 5.346 40 0 JKABLO CCc1ccc2[nH]c(=O)c(C[N@H+](Cc3ccccc3)[C@H](CC)c3nnnn3C3CCCC3)cc2c1 ZINC000057640585 195354178 /nfs/dbraw/zinc/35/41/78/195354178.db2.gz UTCMMAUCKLENEA-AREMUKBSSA-N 1 2 470.621 5.346 40 0 JKABLO CCc1ccc2[nH]c(=O)c(C[N@@H+](Cc3ccccc3)[C@H](CC)c3nnnn3C3CCCCC3)cc2c1 ZINC000057640601 195354183 /nfs/dbraw/zinc/35/41/83/195354183.db2.gz ZRJHSSDSKDETIX-HHHXNRCGSA-N 1 2 484.648 5.736 40 0 JKABLO CCc1ccc2[nH]c(=O)c(C[N@H+](Cc3ccccc3)[C@H](CC)c3nnnn3C3CCCCC3)cc2c1 ZINC000057640601 195354185 /nfs/dbraw/zinc/35/41/85/195354185.db2.gz ZRJHSSDSKDETIX-HHHXNRCGSA-N 1 2 484.648 5.736 40 0 JKABLO CC[C@H](c1nnnn1C1CCCCC1)[N@H+](Cc1ccccc1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000057640721 195354465 /nfs/dbraw/zinc/35/44/65/195354465.db2.gz WLPLKJZQNJYJLT-AREMUKBSSA-N 1 2 470.621 5.482 40 0 JKABLO CC[C@H](c1nnnn1C1CCCCC1)[N@@H+](Cc1ccccc1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000057640721 195354469 /nfs/dbraw/zinc/35/44/69/195354469.db2.gz WLPLKJZQNJYJLT-AREMUKBSSA-N 1 2 470.621 5.482 40 0 JKABLO CC[C@@H](c1nnnn1C1CCCC1)[N@H+](Cc1ccc(C)cc1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000057640799 195354604 /nfs/dbraw/zinc/35/46/04/195354604.db2.gz LERCDPCXMUMFMS-SANMLTNESA-N 1 2 470.621 5.400 40 0 JKABLO CC[C@@H](c1nnnn1C1CCCC1)[N@@H+](Cc1ccc(C)cc1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000057640799 195354605 /nfs/dbraw/zinc/35/46/05/195354605.db2.gz LERCDPCXMUMFMS-SANMLTNESA-N 1 2 470.621 5.400 40 0 JKABLO CC[C@@H](c1nnnn1C(C)(C)CC)[N@H+](Cc1ccc(C)cc1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000057640786 195354629 /nfs/dbraw/zinc/35/46/29/195354629.db2.gz XPUXHQXMVGDLQS-VWLOTQADSA-N 1 2 472.637 5.430 40 0 JKABLO CC[C@@H](c1nnnn1C(C)(C)CC)[N@@H+](Cc1ccc(C)cc1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000057640786 195354632 /nfs/dbraw/zinc/35/46/32/195354632.db2.gz XPUXHQXMVGDLQS-VWLOTQADSA-N 1 2 472.637 5.430 40 0 JKABLO CC[C@@H](c1nnnn1C1CCCC1)[N@H+](Cc1ccc(OC)cc1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000057640705 195354715 /nfs/dbraw/zinc/35/47/15/195354715.db2.gz YWTQSWNJYOJRBQ-SANMLTNESA-N 1 2 486.620 5.100 40 0 JKABLO CC[C@@H](c1nnnn1C1CCCC1)[N@@H+](Cc1ccc(OC)cc1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000057640705 195354716 /nfs/dbraw/zinc/35/47/16/195354716.db2.gz YWTQSWNJYOJRBQ-SANMLTNESA-N 1 2 486.620 5.100 40 0 JKABLO CC[C@@H](c1nnnn1C(C)(C)CC)[N@H+](Cc1ccc(F)cc1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000057640702 195354750 /nfs/dbraw/zinc/35/47/50/195354750.db2.gz KJACRMNKCDHNST-DEOSSOPVSA-N 1 2 476.600 5.261 40 0 JKABLO CC[C@@H](c1nnnn1C(C)(C)CC)[N@@H+](Cc1ccc(F)cc1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000057640702 195354751 /nfs/dbraw/zinc/35/47/51/195354751.db2.gz KJACRMNKCDHNST-DEOSSOPVSA-N 1 2 476.600 5.261 40 0 JKABLO CC[C@H](c1nnnn1C1CCCCC1)[N@H+](Cc1cccs1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000057640981 195355087 /nfs/dbraw/zinc/35/50/87/195355087.db2.gz YYQJATKJJQZHJT-XMMPIXPASA-N 1 2 492.649 5.243 40 0 JKABLO CC[C@H](c1nnnn1C1CCCCC1)[N@@H+](Cc1cccs1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000057640981 195355090 /nfs/dbraw/zinc/35/50/90/195355090.db2.gz YYQJATKJJQZHJT-XMMPIXPASA-N 1 2 492.649 5.243 40 0 JKABLO CC[C@H](c1nnnn1C1CCCC1)[N@H+](Cc1ccc(C)cc1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000057641031 195355124 /nfs/dbraw/zinc/35/51/24/195355124.db2.gz LLLKBVDGSZXLLY-AREMUKBSSA-N 1 2 486.620 5.100 40 0 JKABLO CC[C@H](c1nnnn1C1CCCC1)[N@@H+](Cc1ccc(C)cc1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000057641031 195355128 /nfs/dbraw/zinc/35/51/28/195355128.db2.gz LLLKBVDGSZXLLY-AREMUKBSSA-N 1 2 486.620 5.100 40 0 JKABLO CC[C@H](c1nnnn1C(C)(C)CC)[N@H+](Cc1ccccc1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000057641652 195355880 /nfs/dbraw/zinc/35/58/80/195355880.db2.gz DUSNOCWTFZCGRB-RUZDIDTESA-N 1 2 472.637 5.430 40 0 JKABLO CC[C@H](c1nnnn1C(C)(C)CC)[N@@H+](Cc1ccccc1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000057641652 195355882 /nfs/dbraw/zinc/35/58/82/195355882.db2.gz DUSNOCWTFZCGRB-RUZDIDTESA-N 1 2 472.637 5.430 40 0 JKABLO CC[C@@H](c1nnnn1C1CCCCC1)[N@H+](Cc1cccs1)Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000057642058 195356211 /nfs/dbraw/zinc/35/62/11/195356211.db2.gz GYOYYYNIAWUZOB-DEOSSOPVSA-N 1 2 490.677 5.852 40 0 JKABLO CC[C@@H](c1nnnn1C1CCCCC1)[N@@H+](Cc1cccs1)Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000057642058 195356214 /nfs/dbraw/zinc/35/62/14/195356214.db2.gz GYOYYYNIAWUZOB-DEOSSOPVSA-N 1 2 490.677 5.852 40 0 JKABLO CC[C@@H](c1nnnn1C1CCCC1)[N@H+](Cc1ccc(F)cc1)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000057642185 195356374 /nfs/dbraw/zinc/35/63/74/195356374.db2.gz IUGBVRNSVYJUAP-VWLOTQADSA-N 1 2 488.611 5.539 40 0 JKABLO CC[C@@H](c1nnnn1C1CCCC1)[N@@H+](Cc1ccc(F)cc1)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000057642185 195356377 /nfs/dbraw/zinc/35/63/77/195356377.db2.gz IUGBVRNSVYJUAP-VWLOTQADSA-N 1 2 488.611 5.539 40 0 JKABLO O[C@@H](C[NH+]1CCN([C@H]2c3ccccc3CSc3ccccc32)CC1)c1ccc(Cl)cc1 ZINC000096251411 130002942 /nfs/dbraw/zinc/00/29/42/130002942.db2.gz OUUZYWUMQUOBSM-AHWVRZQESA-N 1 2 451.035 5.386 40 0 JKABLO CCCCn1nc(C)c2c1nc(C1CC1)cc2C(=O)N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000022576508 521396564 /nfs/dbraw/zinc/39/65/64/521396564.db2.gz SVFMMSAYMKRKEX-UHFFFAOYSA-N 1 2 466.029 5.029 40 0 JKABLO COc1ccc(C(=O)Nc2ccc(-c3noc([C@@H]4CCC[N@@H+]4Cc4ccc(F)c(F)c4)n3)cn2)cc1 ZINC000049155202 523747853 /nfs/dbraw/zinc/74/78/53/523747853.db2.gz MHJQHZPXHLWJFT-QFIPXVFZSA-N 1 2 491.498 5.008 40 0 biogenic,in-vitro JKABLO COc1ccc(C(=O)Nc2ccc(-c3noc([C@@H]4CCC[N@H+]4Cc4ccc(F)c(F)c4)n3)cn2)cc1 ZINC000049155202 523747858 /nfs/dbraw/zinc/74/78/58/523747858.db2.gz MHJQHZPXHLWJFT-QFIPXVFZSA-N 1 2 491.498 5.008 40 0 biogenic,in-vitro JKABLO CCc1cccc(C)c1N(C(=O)Cn1c(CCc2ccccc2)[nH+]c2ccccc21)[C@@H](C)COC ZINC000035167716 524062143 /nfs/dbraw/zinc/06/21/43/524062143.db2.gz FFRHWEYRXAFPTC-QHCPKHFHSA-N 1 2 469.629 5.760 40 0 JKABLO COc1ccc([C@@H](c2c(C)c(C)sc2NC(=O)c2ccccc2)[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000033676785 525211517 /nfs/dbraw/zinc/21/15/17/525211517.db2.gz GGOZONKTNSXQDC-GAKIBJFNSA-N 1 2 464.631 5.824 40 0 JKABLO CCC[N@H+](Cc1ccccc1)[C@H](c1nnnn1C1CCCC1)c1cc2cc(OCC)ccc2[nH]c1=O ZINC000000911783 553841636 /nfs/dbraw/zinc/84/16/36/553841636.db2.gz JACRETCPEUZBCS-SANMLTNESA-N 1 2 486.620 5.030 40 0 JKABLO CCC[N@@H+](Cc1ccccc1)[C@H](c1nnnn1C1CCCC1)c1cc2cc(OCC)ccc2[nH]c1=O ZINC000000911783 553841637 /nfs/dbraw/zinc/84/16/37/553841637.db2.gz JACRETCPEUZBCS-SANMLTNESA-N 1 2 486.620 5.030 40 0 JKABLO O=C(CSc1nnc(CCc2[nH]c3ccccc3[nH+]2)n1-c1ccccc1)Nc1ccc(Cl)cc1 ZINC000000924623 553859678 /nfs/dbraw/zinc/85/96/78/553859678.db2.gz IERBTHIDVGLBOB-UHFFFAOYSA-N 1 2 489.004 5.313 40 0 JKABLO COc1ccc(C(=O)Nc2sc(C)c(C)c2[C@H](c2ccccc2OC)[NH+]2CCOCC2)cc1 ZINC000001236170 553936907 /nfs/dbraw/zinc/93/69/07/553936907.db2.gz XLPCZLIXMNIMDM-DEOSSOPVSA-N 1 2 466.603 5.056 40 0 JKABLO CCc1cccc(CC)c1NC(=O)CSc1[nH+]cnc2c1cnn2-c1ccccc1Cl ZINC000001346494 553955309 /nfs/dbraw/zinc/95/53/09/553955309.db2.gz WGTGESNLYODMTR-UHFFFAOYSA-N 1 2 451.983 5.325 40 0 JKABLO CCOc1ccc2nc(NC(=O)CSc3[nH+]cnc4c3cnn4-c3ccc(C)c(C)c3)sc2c1 ZINC000001346458 553955371 /nfs/dbraw/zinc/95/53/71/553955371.db2.gz GXKTZRPAAMVURK-UHFFFAOYSA-N 1 2 490.614 5.172 40 0 JKABLO Cc1ccc(-n2ncc3c2nc[nH+]c3SCC(=O)N(c2ccccc2)c2ccccc2)cc1 ZINC000001346386 553955467 /nfs/dbraw/zinc/95/54/67/553955467.db2.gz RWTXXNPDTHPHQO-UHFFFAOYSA-N 1 2 451.555 5.581 40 0 JKABLO Cc1cc2[nH]c([C@H]3CCCN(C(=O)Nc4cc(C(F)(F)F)ccc4Cl)C3)[nH+]c2cc1C ZINC000001350298 553955711 /nfs/dbraw/zinc/95/57/11/553955711.db2.gz MSICKTNDRIDZMN-AWEZNQCLSA-N 1 2 450.892 6.263 40 0 JKABLO O=C(CSc1[nH+]cnc2c1cnn2-c1ccccc1Cl)Nc1ccccc1Oc1ccccc1 ZINC000001346501 553955809 /nfs/dbraw/zinc/95/58/09/553955809.db2.gz JMGNLWLYVRKYKJ-UHFFFAOYSA-N 1 2 487.972 5.992 40 0 JKABLO Cc1cc2[nH]c([C@@H]3CCCN(C(=O)Nc4ccc(Cl)c(C(F)(F)F)c4)C3)[nH+]c2cc1C ZINC000001350295 553955849 /nfs/dbraw/zinc/95/58/49/553955849.db2.gz WZGVJJBNVGAUSC-CQSZACIVSA-N 1 2 450.892 6.263 40 0 JKABLO CC[C@@H](c1nnnn1Cc1ccccc1)[N@H+](Cc1ccc(F)cc1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000001374173 553962667 /nfs/dbraw/zinc/96/26/67/553962667.db2.gz LIYKUGCHTUQBMM-MHZLTWQESA-N 1 2 496.590 5.164 40 0 JKABLO CC[C@@H](c1nnnn1Cc1ccccc1)[N@@H+](Cc1ccc(F)cc1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000001374173 553962669 /nfs/dbraw/zinc/96/26/69/553962669.db2.gz LIYKUGCHTUQBMM-MHZLTWQESA-N 1 2 496.590 5.164 40 0 JKABLO CC[C@H](c1nnnn1Cc1ccc(F)cc1)[N@H+](Cc1ccccc1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000001374270 553962793 /nfs/dbraw/zinc/96/27/93/553962793.db2.gz ORIHWOSIXKVEHE-HHHXNRCGSA-N 1 2 496.590 5.164 40 0 JKABLO CC[C@H](c1nnnn1Cc1ccc(F)cc1)[N@@H+](Cc1ccccc1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000001374270 553962795 /nfs/dbraw/zinc/96/27/95/553962795.db2.gz ORIHWOSIXKVEHE-HHHXNRCGSA-N 1 2 496.590 5.164 40 0 JKABLO CC[C@@H](c1nnnn1C(C)(C)C)[N@H+](Cc1ccccc1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000001374996 553963065 /nfs/dbraw/zinc/96/30/65/553963065.db2.gz YQJYFKZJUHNBHA-DEOSSOPVSA-N 1 2 458.610 5.040 40 0 JKABLO CC[C@@H](c1nnnn1C(C)(C)C)[N@@H+](Cc1ccccc1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000001374996 553963066 /nfs/dbraw/zinc/96/30/66/553963066.db2.gz YQJYFKZJUHNBHA-DEOSSOPVSA-N 1 2 458.610 5.040 40 0 JKABLO CC[C@@H](c1nnnn1C1CCCC1)[N@H+](Cc1cccs1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000001375058 553963072 /nfs/dbraw/zinc/96/30/72/553963072.db2.gz CLGDHAZNVGTDTH-DEOSSOPVSA-N 1 2 476.650 5.462 40 0 JKABLO CC[C@@H](c1nnnn1C1CCCC1)[N@@H+](Cc1cccs1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000001375058 553963073 /nfs/dbraw/zinc/96/30/73/553963073.db2.gz CLGDHAZNVGTDTH-DEOSSOPVSA-N 1 2 476.650 5.462 40 0 JKABLO CC[C@@H](c1nnnn1C(C)(C)C)[N@H+](Cc1cccs1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000001375017 553963108 /nfs/dbraw/zinc/96/31/08/553963108.db2.gz XUYJCXDKVBDZMY-QFIPXVFZSA-N 1 2 464.639 5.101 40 0 JKABLO CC[C@@H](c1nnnn1C(C)(C)C)[N@@H+](Cc1cccs1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000001375017 553963110 /nfs/dbraw/zinc/96/31/10/553963110.db2.gz XUYJCXDKVBDZMY-QFIPXVFZSA-N 1 2 464.639 5.101 40 0 JKABLO CC[C@@H](c1nnnn1C(C)(C)CC)[N@H+](Cc1cccs1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000001375045 553963116 /nfs/dbraw/zinc/96/31/16/553963116.db2.gz ZOTISCRAACNQRG-QHCPKHFHSA-N 1 2 478.666 5.492 40 0 JKABLO CC[C@@H](c1nnnn1C(C)(C)CC)[N@@H+](Cc1cccs1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000001375045 553963120 /nfs/dbraw/zinc/96/31/20/553963120.db2.gz ZOTISCRAACNQRG-QHCPKHFHSA-N 1 2 478.666 5.492 40 0 JKABLO CC[C@H](c1nnnn1C1CCCC1)[N@H+](Cc1cccs1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000001375255 553963643 /nfs/dbraw/zinc/96/36/43/553963643.db2.gz BWBGLMQYGSFQOV-XMMPIXPASA-N 1 2 476.650 5.462 40 0 JKABLO CC[C@H](c1nnnn1C1CCCC1)[N@@H+](Cc1cccs1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000001375255 553963646 /nfs/dbraw/zinc/96/36/46/553963646.db2.gz BWBGLMQYGSFQOV-XMMPIXPASA-N 1 2 476.650 5.462 40 0 JKABLO O=C(C[NH+]1CCC(n2nnc3cc(C(F)(F)F)ccc32)CC1)Nc1cc(Cl)ccc1Cl ZINC000001380611 553965664 /nfs/dbraw/zinc/96/56/64/553965664.db2.gz USJOFZAZPOINFV-UHFFFAOYSA-N 1 2 472.298 5.033 40 0 JKABLO Clc1ccc([C@]2(Cn3cc[nH+]c3)OC[C@@H](COc3ccc(-c4ccccc4)cc3)O2)c(Cl)c1 ZINC000001567316 553978424 /nfs/dbraw/zinc/97/84/24/553978424.db2.gz GNZHVEIGGFMLSP-ZEQKJWHPSA-N 1 2 481.379 6.204 40 0 in-man JKABLO O=C(C[N@@H+]1CC[C@@]2(O)CCCC[C@H]2[C@H]1c1ccc2c(c1)OCO2)Nc1ccc(Cl)cc1Cl ZINC000002333947 554152857 /nfs/dbraw/zinc/15/28/57/554152857.db2.gz JIJIPXXOLJEYFK-VWMXVWASSA-N 1 2 477.388 5.029 40 0 JKABLO O=C(C[N@H+]1CC[C@@]2(O)CCCC[C@H]2[C@H]1c1ccc2c(c1)OCO2)Nc1ccc(Cl)cc1Cl ZINC000002333947 554152859 /nfs/dbraw/zinc/15/28/59/554152859.db2.gz JIJIPXXOLJEYFK-VWMXVWASSA-N 1 2 477.388 5.029 40 0 JKABLO COc1ccc([C@H]2[C@@H]3CCCC[C@]3(O)CC[N@@H+]2CC(=O)Nc2ccc(Cl)cc2Cl)cc1OC ZINC000002367355 554168231 /nfs/dbraw/zinc/16/82/31/554168231.db2.gz ULABSGKNSQAIOJ-WDNCENIBSA-N 1 2 493.431 5.317 40 0 JKABLO COc1ccc([C@H]2[C@@H]3CCCC[C@]3(O)CC[N@H+]2CC(=O)Nc2ccc(Cl)cc2Cl)cc1OC ZINC000002367355 554168234 /nfs/dbraw/zinc/16/82/34/554168234.db2.gz ULABSGKNSQAIOJ-WDNCENIBSA-N 1 2 493.431 5.317 40 0 JKABLO CC(=O)Nc1ccc(Nc2[nH+]cnc3c2c(-c2ccccc2)cn3-c2ccc(Br)cc2)cc1 ZINC000002714551 554300427 /nfs/dbraw/zinc/30/04/27/554300427.db2.gz VUOOIEUNSFMFEH-UHFFFAOYSA-N 1 2 498.384 6.552 40 0 JKABLO Cc1cccc2cc(C[N@@H+](Cc3cccs3)[C@H](c3nnnn3C3CCCC3)C(C)C)c(=O)[nH]c12 ZINC000004103486 554473475 /nfs/dbraw/zinc/47/34/75/554473475.db2.gz RUSMMCWHLBQXAL-DEOSSOPVSA-N 1 2 476.650 5.399 40 0 aggregator JKABLO Cc1cccc2cc(C[N@H+](Cc3cccs3)[C@H](c3nnnn3C3CCCC3)C(C)C)c(=O)[nH]c12 ZINC000004103486 554473479 /nfs/dbraw/zinc/47/34/79/554473479.db2.gz RUSMMCWHLBQXAL-DEOSSOPVSA-N 1 2 476.650 5.399 40 0 aggregator JKABLO CC(=O)C1=NN(c2ccc(Cl)cc2)[C@H](c2c[nH]c3ccccc32)N1c1ccc([NH+]2CCCC2)cc1 ZINC000005943798 554496927 /nfs/dbraw/zinc/49/69/27/554496927.db2.gz KKAAYXDEEPQWPN-MUUNZHRXSA-N 1 2 484.003 6.349 40 0 JKABLO Cc1cc(C)c2cc([C@@H](c3nnnn3C3CCCC3)[NH+]3CCC(Cc4ccccc4)CC3)c(=O)[nH]c2c1 ZINC000006301589 554530139 /nfs/dbraw/zinc/53/01/39/554530139.db2.gz IDFUPTCPRKQVNY-NDEPHWFRSA-N 1 2 496.659 5.291 40 0 JKABLO Cc1ccc(C)c2[nH]c(=O)c([C@@H](c3nnnn3C3CCCC3)[NH+]3CCC(Cc4ccccc4)CC3)cc12 ZINC000006322056 554531478 /nfs/dbraw/zinc/53/14/78/554531478.db2.gz AEFQGNOHBWRAKU-NDEPHWFRSA-N 1 2 496.659 5.291 40 0 JKABLO Ic1ccc(Nc2nc(NC3CCCCC3)[nH+]c(NC3CCCCC3)n2)cc1 ZINC000006444963 554539326 /nfs/dbraw/zinc/53/93/26/554539326.db2.gz ZGDYRSAHYZREKM-UHFFFAOYSA-N 1 2 492.409 5.709 40 0 JKABLO CCCCOc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)Nc3[nH+]c4ccccc4n32)cc1 ZINC000008816183 554697810 /nfs/dbraw/zinc/69/78/10/554697810.db2.gz NPBJCJLAZXKZOF-SANMLTNESA-N 1 2 452.558 6.143 40 0 JKABLO Cc1ccc(C)c2[nH]c(=O)c([C@H](c3nnnn3C(C)(C)C)[N@H+]3CC=C(c4ccc(F)cc4)CC3)cc12 ZINC000008829035 554719529 /nfs/dbraw/zinc/71/95/29/554719529.db2.gz HGIYRZXALMDXGX-RUZDIDTESA-N 1 2 486.595 5.317 40 0 aggregator JKABLO Cc1ccc(C)c2[nH]c(=O)c([C@H](c3nnnn3C(C)(C)C)[N@@H+]3CC=C(c4ccc(F)cc4)CC3)cc12 ZINC000008829035 554719531 /nfs/dbraw/zinc/71/95/31/554719531.db2.gz HGIYRZXALMDXGX-RUZDIDTESA-N 1 2 486.595 5.317 40 0 aggregator JKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=O)COc4ccc(C)c(C)c4)cc3n2)c(C)c1 ZINC000008832219 554725738 /nfs/dbraw/zinc/72/57/38/554725738.db2.gz IMNGUMKHMJZKCQ-UHFFFAOYSA-N 1 2 471.605 5.518 40 0 JKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)c4cccs4)cc3n2)c(C)c1 ZINC000008835490 554734630 /nfs/dbraw/zinc/73/46/30/554734630.db2.gz VBTOJFIXYDHAKG-UHFFFAOYSA-N 1 2 478.647 5.072 40 0 JKABLO CC[C@H](C)c1ccc(OCC(=O)Nc2cc3nn(-c4ccc([NH+](CC)CC)cc4)nc3cc2C)cc1 ZINC000008900376 554792602 /nfs/dbraw/zinc/79/26/02/554792602.db2.gz DXGWYNAVSZFCBC-FQEVSTJZSA-N 1 2 485.632 6.106 40 0 JKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=O)COc4ccc(Cl)cc4C)cc3n2)c(C)c1 ZINC000008900454 554792936 /nfs/dbraw/zinc/79/29/36/554792936.db2.gz NJXPAYNDYGRPEX-UHFFFAOYSA-N 1 2 492.023 5.863 40 0 JKABLO CC[C@@H](c1nnnn1C(C)(C)C)[N@H+](Cc1ccccc1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013494419 555404208 /nfs/dbraw/zinc/40/42/08/555404208.db2.gz OVTFYJDXFFRILM-QHCPKHFHSA-N 1 2 458.610 5.040 40 0 JKABLO CC[C@@H](c1nnnn1C(C)(C)C)[N@@H+](Cc1ccccc1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013494419 555404210 /nfs/dbraw/zinc/40/42/10/555404210.db2.gz OVTFYJDXFFRILM-QHCPKHFHSA-N 1 2 458.610 5.040 40 0 JKABLO CC[C@H](c1nnnn1C(C)(C)C)[N@H+](Cc1ccc(OC)cc1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013494459 555404636 /nfs/dbraw/zinc/40/46/36/555404636.db2.gz HEDWBCYFDFWZTH-XMMPIXPASA-N 1 2 488.636 5.049 40 0 JKABLO CC[C@H](c1nnnn1C(C)(C)C)[N@@H+](Cc1ccc(OC)cc1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013494459 555404638 /nfs/dbraw/zinc/40/46/38/555404638.db2.gz HEDWBCYFDFWZTH-XMMPIXPASA-N 1 2 488.636 5.049 40 0 JKABLO CC[C@H](c1nnnn1Cc1ccc(F)cc1)[N@H+](Cc1ccccc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013494641 555405387 /nfs/dbraw/zinc/40/53/87/555405387.db2.gz CAMFPXJTPISHOR-HHHXNRCGSA-N 1 2 496.590 5.164 40 0 JKABLO CC[C@H](c1nnnn1Cc1ccc(F)cc1)[N@@H+](Cc1ccccc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013494641 555405390 /nfs/dbraw/zinc/40/53/90/555405390.db2.gz CAMFPXJTPISHOR-HHHXNRCGSA-N 1 2 496.590 5.164 40 0 JKABLO CC[C@H](c1nnnn1CCc1ccccc1)[N@H+](Cc1ccccc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013494656 555405541 /nfs/dbraw/zinc/40/55/41/555405541.db2.gz YUKRICCZYUEHCE-HHHXNRCGSA-N 1 2 492.627 5.219 40 0 JKABLO CC[C@H](c1nnnn1CCc1ccccc1)[N@@H+](Cc1ccccc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013494656 555405545 /nfs/dbraw/zinc/40/55/45/555405545.db2.gz YUKRICCZYUEHCE-HHHXNRCGSA-N 1 2 492.627 5.219 40 0 JKABLO CCOc1ccc2[nH]c(=O)c(C[N@H+](Cc3ccccc3)[C@H](CC)c3nnnn3C(C)(C)CC)cc2c1 ZINC000013494719 555405968 /nfs/dbraw/zinc/40/59/68/555405968.db2.gz ICGCJYJCDJNCRO-RUZDIDTESA-N 1 2 488.636 5.212 40 0 JKABLO CCOc1ccc2[nH]c(=O)c(C[N@@H+](Cc3ccccc3)[C@H](CC)c3nnnn3C(C)(C)CC)cc2c1 ZINC000013494719 555405972 /nfs/dbraw/zinc/40/59/72/555405972.db2.gz ICGCJYJCDJNCRO-RUZDIDTESA-N 1 2 488.636 5.212 40 0 JKABLO CC[C@H](c1nnnn1C1CCCCC1)[N@H+](Cc1ccccc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013494668 555405981 /nfs/dbraw/zinc/40/59/81/555405981.db2.gz KSDOFOVFDHIYSM-RUZDIDTESA-N 1 2 470.621 5.482 40 0 JKABLO CC[C@H](c1nnnn1C1CCCCC1)[N@@H+](Cc1ccccc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013494668 555405986 /nfs/dbraw/zinc/40/59/86/555405986.db2.gz KSDOFOVFDHIYSM-RUZDIDTESA-N 1 2 470.621 5.482 40 0 JKABLO CC[C@H](c1nnnn1C1CCCCC1)[N@H+](Cc1ccc(C)cc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013494751 555406054 /nfs/dbraw/zinc/40/60/54/555406054.db2.gz UCHGIHICIQIGQD-AREMUKBSSA-N 1 2 484.648 5.790 40 0 JKABLO CC[C@H](c1nnnn1C1CCCCC1)[N@@H+](Cc1ccc(C)cc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013494751 555406058 /nfs/dbraw/zinc/40/60/58/555406058.db2.gz UCHGIHICIQIGQD-AREMUKBSSA-N 1 2 484.648 5.790 40 0 JKABLO CCOc1ccc2[nH]c(=O)c(C[N@H+](Cc3ccccc3)[C@@H](CC)c3nnnn3C3CCCC3)cc2c1 ZINC000013494721 555406111 /nfs/dbraw/zinc/40/61/11/555406111.db2.gz YFUAIPMAVACAQX-SANMLTNESA-N 1 2 486.620 5.182 40 0 JKABLO CCOc1ccc2[nH]c(=O)c(C[N@@H+](Cc3ccccc3)[C@@H](CC)c3nnnn3C3CCCC3)cc2c1 ZINC000013494721 555406113 /nfs/dbraw/zinc/40/61/13/555406113.db2.gz YFUAIPMAVACAQX-SANMLTNESA-N 1 2 486.620 5.182 40 0 JKABLO CC[C@@H](c1nnnn1C1CCCC1)[N@H+](Cc1ccc(C)cc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013494784 555406438 /nfs/dbraw/zinc/40/64/38/555406438.db2.gz NZKGOXUFRVTDAC-SANMLTNESA-N 1 2 470.621 5.400 40 0 JKABLO CC[C@@H](c1nnnn1C1CCCC1)[N@@H+](Cc1ccc(C)cc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013494784 555406441 /nfs/dbraw/zinc/40/64/41/555406441.db2.gz NZKGOXUFRVTDAC-SANMLTNESA-N 1 2 470.621 5.400 40 0 JKABLO CC[C@H](c1nnnn1Cc1ccccc1)[N@H+](Cc1ccc(C)cc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013494755 555406530 /nfs/dbraw/zinc/40/65/30/555406530.db2.gz DDXCWZYLZALSPX-HHHXNRCGSA-N 1 2 492.627 5.333 40 0 JKABLO CC[C@H](c1nnnn1Cc1ccccc1)[N@@H+](Cc1ccc(C)cc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013494755 555406531 /nfs/dbraw/zinc/40/65/31/555406531.db2.gz DDXCWZYLZALSPX-HHHXNRCGSA-N 1 2 492.627 5.333 40 0 JKABLO CC[C@@H](c1nnnn1Cc1ccccc1)[N@H+](Cc1ccc(C)cc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013494757 555406540 /nfs/dbraw/zinc/40/65/40/555406540.db2.gz DDXCWZYLZALSPX-MHZLTWQESA-N 1 2 492.627 5.333 40 0 JKABLO CC[C@@H](c1nnnn1Cc1ccccc1)[N@@H+](Cc1ccc(C)cc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013494757 555406542 /nfs/dbraw/zinc/40/65/42/555406542.db2.gz DDXCWZYLZALSPX-MHZLTWQESA-N 1 2 492.627 5.333 40 0 JKABLO CC[C@@H](c1nnnn1C(C)(C)CC)[N@H+](Cc1ccc(C)cc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013494780 555406549 /nfs/dbraw/zinc/40/65/49/555406549.db2.gz CUHNKZOOZAAMHF-VWLOTQADSA-N 1 2 472.637 5.430 40 0 JKABLO CC[C@@H](c1nnnn1C(C)(C)CC)[N@@H+](Cc1ccc(C)cc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013494780 555406551 /nfs/dbraw/zinc/40/65/51/555406551.db2.gz CUHNKZOOZAAMHF-VWLOTQADSA-N 1 2 472.637 5.430 40 0 JKABLO CC[C@H](c1nnnn1C1CCCC1)[N@H+](Cc1ccc(C)cc1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013494817 555406554 /nfs/dbraw/zinc/40/65/54/555406554.db2.gz SLXYNJGXDDVQIE-AREMUKBSSA-N 1 2 484.648 5.708 40 0 JKABLO CC[C@H](c1nnnn1C1CCCC1)[N@@H+](Cc1ccc(C)cc1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013494817 555406556 /nfs/dbraw/zinc/40/65/56/555406556.db2.gz SLXYNJGXDDVQIE-AREMUKBSSA-N 1 2 484.648 5.708 40 0 JKABLO CC[C@H](c1nnnn1C(C)(C)CC)[N@H+](Cc1ccc(OC)cc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013495100 555407119 /nfs/dbraw/zinc/40/71/19/555407119.db2.gz SOJVYRAEYRFOAF-XMMPIXPASA-N 1 2 488.636 5.130 40 0 JKABLO CC[C@H](c1nnnn1C(C)(C)CC)[N@@H+](Cc1ccc(OC)cc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013495100 555407121 /nfs/dbraw/zinc/40/71/21/555407121.db2.gz SOJVYRAEYRFOAF-XMMPIXPASA-N 1 2 488.636 5.130 40 0 JKABLO CC[C@H](c1nnnn1C1CCCC1)[N@H+](Cc1ccc(OC)cc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013495134 555407197 /nfs/dbraw/zinc/40/71/97/555407197.db2.gz JAVXMZIAHKRAPY-AREMUKBSSA-N 1 2 486.620 5.100 40 0 JKABLO CC[C@H](c1nnnn1C1CCCC1)[N@@H+](Cc1ccc(OC)cc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013495134 555407200 /nfs/dbraw/zinc/40/72/00/555407200.db2.gz JAVXMZIAHKRAPY-AREMUKBSSA-N 1 2 486.620 5.100 40 0 JKABLO CCOc1ccc2[nH]c(=O)c(C[N@H+](Cc3cccs3)[C@H](CC)c3nnnn3C3CCCC3)cc2c1 ZINC000013495783 555409215 /nfs/dbraw/zinc/40/92/15/555409215.db2.gz BJHSYOMRTSHQSO-XMMPIXPASA-N 1 2 492.649 5.243 40 0 JKABLO CCOc1ccc2[nH]c(=O)c(C[N@@H+](Cc3cccs3)[C@H](CC)c3nnnn3C3CCCC3)cc2c1 ZINC000013495783 555409216 /nfs/dbraw/zinc/40/92/16/555409216.db2.gz BJHSYOMRTSHQSO-XMMPIXPASA-N 1 2 492.649 5.243 40 0 JKABLO CC[C@H](c1nnnn1C(C)(C)CC)[N@H+](Cc1cccs1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013495770 555409239 /nfs/dbraw/zinc/40/92/39/555409239.db2.gz RHYMEEWKWHUJCN-JOCHJYFZSA-N 1 2 478.666 5.492 40 0 JKABLO CC[C@H](c1nnnn1C(C)(C)CC)[N@@H+](Cc1cccs1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013495770 555409240 /nfs/dbraw/zinc/40/92/40/555409240.db2.gz RHYMEEWKWHUJCN-JOCHJYFZSA-N 1 2 478.666 5.492 40 0 JKABLO CCc1ccc2[nH]c(=O)c(C[N@H+](Cc3ccc(C)cc3)[C@@H](c3nnnn3C(C)(C)C)C(C)C)cc2c1 ZINC000013498459 555420727 /nfs/dbraw/zinc/42/07/27/555420727.db2.gz KEZQCYPYBNSPQO-AREMUKBSSA-N 1 2 486.664 5.540 40 0 JKABLO CCc1ccc2[nH]c(=O)c(C[N@@H+](Cc3ccc(C)cc3)[C@@H](c3nnnn3C(C)(C)C)C(C)C)cc2c1 ZINC000013498459 555420730 /nfs/dbraw/zinc/42/07/30/555420730.db2.gz KEZQCYPYBNSPQO-AREMUKBSSA-N 1 2 486.664 5.540 40 0 JKABLO Cc1ccc2cc(C[N@@H+](Cc3ccccc3)[C@@H](c3nnnn3C3CCCC3)C(C)C)c(=O)[nH]c2c1 ZINC000013498504 555421171 /nfs/dbraw/zinc/42/11/71/555421171.db2.gz AZYLCAOPRWBYBX-AREMUKBSSA-N 1 2 470.621 5.338 40 0 JKABLO Cc1ccc2cc(C[N@H+](Cc3ccccc3)[C@@H](c3nnnn3C3CCCC3)C(C)C)c(=O)[nH]c2c1 ZINC000013498504 555421175 /nfs/dbraw/zinc/42/11/75/555421175.db2.gz AZYLCAOPRWBYBX-AREMUKBSSA-N 1 2 470.621 5.338 40 0 JKABLO CCC(C)(C)n1nnnc1[C@H](C(C)C)[N@H+](Cc1ccc(C)cc1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000013498562 555422035 /nfs/dbraw/zinc/42/20/35/555422035.db2.gz UVOCGURKOOMAIG-SANMLTNESA-N 1 2 486.664 5.676 40 0 JKABLO CCC(C)(C)n1nnnc1[C@H](C(C)C)[N@@H+](Cc1ccc(C)cc1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000013498562 555422039 /nfs/dbraw/zinc/42/20/39/555422039.db2.gz UVOCGURKOOMAIG-SANMLTNESA-N 1 2 486.664 5.676 40 0 JKABLO Cc1ccc2cc(C[N@@H+](Cc3cccs3)[C@@H](c3nnnn3Cc3ccccc3)C(C)C)c(=O)[nH]c2c1 ZINC000013498546 555422074 /nfs/dbraw/zinc/42/20/74/555422074.db2.gz CBCLUHUBJXTYHF-AREMUKBSSA-N 1 2 498.656 5.332 40 0 JKABLO Cc1ccc2cc(C[N@H+](Cc3cccs3)[C@@H](c3nnnn3Cc3ccccc3)C(C)C)c(=O)[nH]c2c1 ZINC000013498546 555422076 /nfs/dbraw/zinc/42/20/76/555422076.db2.gz CBCLUHUBJXTYHF-AREMUKBSSA-N 1 2 498.656 5.332 40 0 JKABLO CCC(C)(C)n1nnnc1[C@H](C(C)C)[N@H+](Cc1ccccc1)Cc1cc2ccc(OC)cc2[nH]c1=O ZINC000013498713 555423855 /nfs/dbraw/zinc/42/38/55/555423855.db2.gz SRHSJWNNYWEJIV-VWLOTQADSA-N 1 2 488.636 5.068 40 0 JKABLO CCC(C)(C)n1nnnc1[C@H](C(C)C)[N@@H+](Cc1ccccc1)Cc1cc2ccc(OC)cc2[nH]c1=O ZINC000013498713 555423857 /nfs/dbraw/zinc/42/38/57/555423857.db2.gz SRHSJWNNYWEJIV-VWLOTQADSA-N 1 2 488.636 5.068 40 0 JKABLO Cc1cc2cc(C[N@@H+](Cc3cccs3)[C@H](c3nnnn3C3CCCC3)C(C)C)c(=O)[nH]c2cc1C ZINC000013498877 555425549 /nfs/dbraw/zinc/42/55/49/555425549.db2.gz BPTDVHZZGPYHPE-VWLOTQADSA-N 1 2 490.677 5.708 40 0 JKABLO Cc1cc2cc(C[N@H+](Cc3cccs3)[C@H](c3nnnn3C3CCCC3)C(C)C)c(=O)[nH]c2cc1C ZINC000013498877 555425550 /nfs/dbraw/zinc/42/55/50/555425550.db2.gz BPTDVHZZGPYHPE-VWLOTQADSA-N 1 2 490.677 5.708 40 0 JKABLO Cc1ccc(C[N@H+](Cc2cc3cc(C)c(C)cc3[nH]c2=O)[C@H](c2nnnn2C(C)(C)C)C(C)C)cc1 ZINC000013498925 555426342 /nfs/dbraw/zinc/42/63/42/555426342.db2.gz GHCVAVNOSPRACZ-SANMLTNESA-N 1 2 486.664 5.594 40 0 JKABLO Cc1ccc(C[N@@H+](Cc2cc3cc(C)c(C)cc3[nH]c2=O)[C@H](c2nnnn2C(C)(C)C)C(C)C)cc1 ZINC000013498925 555426346 /nfs/dbraw/zinc/42/63/46/555426346.db2.gz GHCVAVNOSPRACZ-SANMLTNESA-N 1 2 486.664 5.594 40 0 JKABLO Cc1cc(C)c2cc(C[N@@H+](Cc3ccccc3)[C@@H](c3nnnn3C(C)(C)C)C(C)C)c(=O)[nH]c2c1 ZINC000013498992 555426965 /nfs/dbraw/zinc/42/69/65/555426965.db2.gz WVDUKCOIJKUUSS-RUZDIDTESA-N 1 2 472.637 5.286 40 0 JKABLO Cc1cc(C)c2cc(C[N@H+](Cc3ccccc3)[C@@H](c3nnnn3C(C)(C)C)C(C)C)c(=O)[nH]c2c1 ZINC000013498992 555426968 /nfs/dbraw/zinc/42/69/68/555426968.db2.gz WVDUKCOIJKUUSS-RUZDIDTESA-N 1 2 472.637 5.286 40 0 JKABLO Cc1cc(C)c2cc(C[N@@H+](Cc3ccco3)[C@H](c3nnnn3C3CCCCC3)C(C)C)c(=O)[nH]c2c1 ZINC000013499041 555427691 /nfs/dbraw/zinc/42/76/91/555427691.db2.gz GZFLLGZWOXXAIM-SANMLTNESA-N 1 2 488.636 5.629 40 0 JKABLO Cc1cc(C)c2cc(C[N@H+](Cc3ccco3)[C@H](c3nnnn3C3CCCCC3)C(C)C)c(=O)[nH]c2c1 ZINC000013499041 555427694 /nfs/dbraw/zinc/42/76/94/555427694.db2.gz GZFLLGZWOXXAIM-SANMLTNESA-N 1 2 488.636 5.629 40 0 JKABLO CCC(C)(C)n1nnnc1[C@@H](C(C)C)[N@H+](Cc1ccccc1)Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000013499118 555428412 /nfs/dbraw/zinc/42/84/12/555428412.db2.gz MGIYYMAYEVWTCU-AREMUKBSSA-N 1 2 486.664 5.676 40 0 JKABLO CCC(C)(C)n1nnnc1[C@@H](C(C)C)[N@@H+](Cc1ccccc1)Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000013499118 555428413 /nfs/dbraw/zinc/42/84/13/555428413.db2.gz MGIYYMAYEVWTCU-AREMUKBSSA-N 1 2 486.664 5.676 40 0 JKABLO CCC(C)(C)n1nnnc1[C@@H](C(C)C)[N@H+](Cc1ccco1)Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000013499122 555428426 /nfs/dbraw/zinc/42/84/26/555428426.db2.gz MUFDDDZFLBHNKK-XMMPIXPASA-N 1 2 476.625 5.269 40 0 JKABLO CCC(C)(C)n1nnnc1[C@@H](C(C)C)[N@@H+](Cc1ccco1)Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000013499122 555428427 /nfs/dbraw/zinc/42/84/27/555428427.db2.gz MUFDDDZFLBHNKK-XMMPIXPASA-N 1 2 476.625 5.269 40 0 JKABLO Cc1ccc(C)c2[nH]c(=O)c(C[N@@H+](Cc3ccco3)[C@@H](c3nnnn3C3CCCCC3)C(C)C)cc12 ZINC000013499176 555428794 /nfs/dbraw/zinc/42/87/94/555428794.db2.gz IYGVKILKYXDLRR-AREMUKBSSA-N 1 2 488.636 5.629 40 0 JKABLO Cc1ccc(C)c2[nH]c(=O)c(C[N@H+](Cc3ccco3)[C@@H](c3nnnn3C3CCCCC3)C(C)C)cc12 ZINC000013499176 555428796 /nfs/dbraw/zinc/42/87/96/555428796.db2.gz IYGVKILKYXDLRR-AREMUKBSSA-N 1 2 488.636 5.629 40 0 JKABLO Cc1ccc(C[N@H+](Cc2cc3c(C)ccc(C)c3[nH]c2=O)[C@@H](c2nnnn2C2CCCC2)C(C)C)cc1 ZINC000013499194 555429262 /nfs/dbraw/zinc/42/92/62/555429262.db2.gz XZENPKRNNCSWKF-MUUNZHRXSA-N 1 2 498.675 5.954 40 0 JKABLO Cc1ccc(C[N@@H+](Cc2cc3c(C)ccc(C)c3[nH]c2=O)[C@@H](c2nnnn2C2CCCC2)C(C)C)cc1 ZINC000013499194 555429266 /nfs/dbraw/zinc/42/92/66/555429266.db2.gz XZENPKRNNCSWKF-MUUNZHRXSA-N 1 2 498.675 5.954 40 0 JKABLO CCC[C@@H](c1nnnn1C1CCCCC1)[N@H+](Cc1ccccc1)Cc1cc2cc(CC)ccc2[nH]c1=O ZINC000013499246 555429720 /nfs/dbraw/zinc/42/97/20/555429720.db2.gz RIDVFOKYGQQVAU-NDEPHWFRSA-N 1 2 498.675 6.126 40 0 JKABLO CCC[C@@H](c1nnnn1C1CCCCC1)[N@@H+](Cc1ccccc1)Cc1cc2cc(CC)ccc2[nH]c1=O ZINC000013499246 555429722 /nfs/dbraw/zinc/42/97/22/555429722.db2.gz RIDVFOKYGQQVAU-NDEPHWFRSA-N 1 2 498.675 6.126 40 0 JKABLO CCC[C@H](c1nnnn1C1CCCC1)[N@H+](Cc1ccccc1)Cc1cc2cc(CC)ccc2[nH]c1=O ZINC000013499235 555429728 /nfs/dbraw/zinc/42/97/28/555429728.db2.gz BNYZJYFYPHBTCU-HHHXNRCGSA-N 1 2 484.648 5.736 40 0 JKABLO CCC[C@H](c1nnnn1C1CCCC1)[N@@H+](Cc1ccccc1)Cc1cc2cc(CC)ccc2[nH]c1=O ZINC000013499235 555429729 /nfs/dbraw/zinc/42/97/29/555429729.db2.gz BNYZJYFYPHBTCU-HHHXNRCGSA-N 1 2 484.648 5.736 40 0 JKABLO CCC[C@H](c1nnnn1C(C)(C)C)[N@H+](Cc1ccc(F)cc1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000013499431 555431206 /nfs/dbraw/zinc/43/12/06/555431206.db2.gz ZDJRBDRKNFWPQY-RUZDIDTESA-N 1 2 490.627 5.569 40 0 JKABLO CCC[C@H](c1nnnn1C(C)(C)C)[N@@H+](Cc1ccc(F)cc1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000013499431 555431208 /nfs/dbraw/zinc/43/12/08/555431208.db2.gz ZDJRBDRKNFWPQY-RUZDIDTESA-N 1 2 490.627 5.569 40 0 JKABLO CCC[C@H](c1nnnn1C(C)(C)CC)[N@H+](Cc1ccccc1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000013499447 555431256 /nfs/dbraw/zinc/43/12/56/555431256.db2.gz BAYDCBWJEBBFAD-AREMUKBSSA-N 1 2 486.664 5.820 40 0 JKABLO CCC[C@H](c1nnnn1C(C)(C)CC)[N@@H+](Cc1ccccc1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000013499447 555431258 /nfs/dbraw/zinc/43/12/58/555431258.db2.gz BAYDCBWJEBBFAD-AREMUKBSSA-N 1 2 486.664 5.820 40 0 JKABLO CCC[C@H](c1nnnn1C1CCCCC1)[N@H+](Cc1ccccc1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000013499471 555431841 /nfs/dbraw/zinc/43/18/41/555431841.db2.gz CVKWCOZUNIQKSY-MUUNZHRXSA-N 1 2 498.675 6.180 40 0 JKABLO CCC[C@H](c1nnnn1C1CCCCC1)[N@@H+](Cc1ccccc1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000013499471 555431843 /nfs/dbraw/zinc/43/18/43/555431843.db2.gz CVKWCOZUNIQKSY-MUUNZHRXSA-N 1 2 498.675 6.180 40 0 JKABLO CCC[C@@H](c1nnnn1Cc1ccco1)[N@H+](Cc1ccccc1)Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000013499656 555433876 /nfs/dbraw/zinc/43/38/76/555433876.db2.gz KUYDXFWCLKKPPI-SANMLTNESA-N 1 2 496.615 5.316 40 0 JKABLO CCC[C@@H](c1nnnn1Cc1ccco1)[N@@H+](Cc1ccccc1)Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000013499656 555433881 /nfs/dbraw/zinc/43/38/81/555433881.db2.gz KUYDXFWCLKKPPI-SANMLTNESA-N 1 2 496.615 5.316 40 0 JKABLO Cc1cc(C)c2[nH]c(=O)c(C[N@@H+](Cc3ccccc3)[C@@H](c3nnnn3C(C)(C)C)C(C)C)cc2c1 ZINC000013500209 555437772 /nfs/dbraw/zinc/43/77/72/555437772.db2.gz HURBMJSADVXMCS-RUZDIDTESA-N 1 2 472.637 5.286 40 0 JKABLO Cc1cc(C)c2[nH]c(=O)c(C[N@H+](Cc3ccccc3)[C@@H](c3nnnn3C(C)(C)C)C(C)C)cc2c1 ZINC000013500209 555437776 /nfs/dbraw/zinc/43/77/76/555437776.db2.gz HURBMJSADVXMCS-RUZDIDTESA-N 1 2 472.637 5.286 40 0 JKABLO Cc1ccc(C[N@H+](Cc2cc3cc(C)cc(C)c3[nH]c2=O)[C@H](c2nnnn2C(C)(C)C)C(C)C)cc1 ZINC000013500220 555438157 /nfs/dbraw/zinc/43/81/57/555438157.db2.gz PMESSKJOZNKVDB-SANMLTNESA-N 1 2 486.664 5.594 40 0 JKABLO Cc1ccc(C[N@@H+](Cc2cc3cc(C)cc(C)c3[nH]c2=O)[C@H](c2nnnn2C(C)(C)C)C(C)C)cc1 ZINC000013500220 555438159 /nfs/dbraw/zinc/43/81/59/555438159.db2.gz PMESSKJOZNKVDB-SANMLTNESA-N 1 2 486.664 5.594 40 0 JKABLO Cc1ccc2[nH]c(=O)c(C[N@@H+](Cc3ccc(F)cc3)[C@H](c3nnnn3C(C)(C)C)C(C)C)cc2c1 ZINC000013500228 555438172 /nfs/dbraw/zinc/43/81/72/555438172.db2.gz FKAOUJCHCNUKTL-DEOSSOPVSA-N 1 2 476.600 5.117 40 0 JKABLO Cc1ccc2[nH]c(=O)c(C[N@H+](Cc3ccc(F)cc3)[C@H](c3nnnn3C(C)(C)C)C(C)C)cc2c1 ZINC000013500228 555438174 /nfs/dbraw/zinc/43/81/74/555438174.db2.gz FKAOUJCHCNUKTL-DEOSSOPVSA-N 1 2 476.600 5.117 40 0 JKABLO Cc1ccc2[nH]c(=O)c(C[N@@H+](Cc3ccc(F)cc3)[C@@H](c3nnnn3C(C)(C)C)C(C)C)cc2c1 ZINC000013500227 555438182 /nfs/dbraw/zinc/43/81/82/555438182.db2.gz FKAOUJCHCNUKTL-XMMPIXPASA-N 1 2 476.600 5.117 40 0 JKABLO Cc1ccc2[nH]c(=O)c(C[N@H+](Cc3ccc(F)cc3)[C@@H](c3nnnn3C(C)(C)C)C(C)C)cc2c1 ZINC000013500227 555438184 /nfs/dbraw/zinc/43/81/84/555438184.db2.gz FKAOUJCHCNUKTL-XMMPIXPASA-N 1 2 476.600 5.117 40 0 JKABLO Cc1cc(C)c2[nH]c(=O)c(C[N@@H+](Cc3cccs3)[C@H](c3nnnn3C(C)(C)C)C(C)C)cc2c1 ZINC000013500268 555438477 /nfs/dbraw/zinc/43/84/77/555438477.db2.gz IIHWFYYTBHQGRF-QHCPKHFHSA-N 1 2 478.666 5.347 40 0 JKABLO Cc1cc(C)c2[nH]c(=O)c(C[N@H+](Cc3cccs3)[C@H](c3nnnn3C(C)(C)C)C(C)C)cc2c1 ZINC000013500268 555438479 /nfs/dbraw/zinc/43/84/79/555438479.db2.gz IIHWFYYTBHQGRF-QHCPKHFHSA-N 1 2 478.666 5.347 40 0 JKABLO Cc1cc(C)c2[nH]c(=O)c(C[N@@H+](Cc3cccs3)[C@@H](c3nnnn3C(C)(C)C)C(C)C)cc2c1 ZINC000013500267 555438538 /nfs/dbraw/zinc/43/85/38/555438538.db2.gz IIHWFYYTBHQGRF-HSZRJFAPSA-N 1 2 478.666 5.347 40 0 JKABLO Cc1cc(C)c2[nH]c(=O)c(C[N@H+](Cc3cccs3)[C@@H](c3nnnn3C(C)(C)C)C(C)C)cc2c1 ZINC000013500267 555438541 /nfs/dbraw/zinc/43/85/41/555438541.db2.gz IIHWFYYTBHQGRF-HSZRJFAPSA-N 1 2 478.666 5.347 40 0 JKABLO Cc1cccc2cc(C[N@@H+](Cc3cccs3)[C@H](c3nnnn3C(C)(C)C)C(C)C)c(=O)[nH]c12 ZINC000013500264 555438617 /nfs/dbraw/zinc/43/86/17/555438617.db2.gz FZQFPGXYDQWJKN-QFIPXVFZSA-N 1 2 464.639 5.039 40 0 JKABLO Cc1cccc2cc(C[N@H+](Cc3cccs3)[C@H](c3nnnn3C(C)(C)C)C(C)C)c(=O)[nH]c12 ZINC000013500264 555438618 /nfs/dbraw/zinc/43/86/18/555438618.db2.gz FZQFPGXYDQWJKN-QFIPXVFZSA-N 1 2 464.639 5.039 40 0 JKABLO Cc1ccc2[nH]c(=O)c(C[N@@H+](Cc3cccs3)[C@@H](c3nnnn3C(C)(C)C)C(C)C)cc2c1 ZINC000013500265 555438627 /nfs/dbraw/zinc/43/86/27/555438627.db2.gz ZFCSYANUBUUWNB-JOCHJYFZSA-N 1 2 464.639 5.039 40 0 JKABLO Cc1ccc2[nH]c(=O)c(C[N@H+](Cc3cccs3)[C@@H](c3nnnn3C(C)(C)C)C(C)C)cc2c1 ZINC000013500265 555438628 /nfs/dbraw/zinc/43/86/28/555438628.db2.gz ZFCSYANUBUUWNB-JOCHJYFZSA-N 1 2 464.639 5.039 40 0 JKABLO Cc1cccc2cc(C[N@@H+](Cc3ccccc3)[C@H](c3nnnn3C3CCCC3)C(C)C)c(=O)[nH]c12 ZINC000013500316 555439024 /nfs/dbraw/zinc/43/90/24/555439024.db2.gz HVDPDWMOJOCIAC-SANMLTNESA-N 1 2 470.621 5.338 40 0 JKABLO Cc1cccc2cc(C[N@H+](Cc3ccccc3)[C@H](c3nnnn3C3CCCC3)C(C)C)c(=O)[nH]c12 ZINC000013500316 555439028 /nfs/dbraw/zinc/43/90/28/555439028.db2.gz HVDPDWMOJOCIAC-SANMLTNESA-N 1 2 470.621 5.338 40 0 JKABLO Cc1cccc2cc(C[N@@H+](Cc3ccccc3)[C@H](c3nnnn3C3CCCCC3)C(C)C)c(=O)[nH]c12 ZINC000013500318 555439046 /nfs/dbraw/zinc/43/90/46/555439046.db2.gz TVHOGANEMAWNMN-MHZLTWQESA-N 1 2 484.648 5.728 40 0 JKABLO Cc1cccc2cc(C[N@H+](Cc3ccccc3)[C@H](c3nnnn3C3CCCCC3)C(C)C)c(=O)[nH]c12 ZINC000013500318 555439048 /nfs/dbraw/zinc/43/90/48/555439048.db2.gz TVHOGANEMAWNMN-MHZLTWQESA-N 1 2 484.648 5.728 40 0 JKABLO Cc1ccc(C[N@H+](Cc2cc3cc(C)ccc3[nH]c2=O)[C@@H](c2nnnn2Cc2ccco2)C(C)C)cc1 ZINC000013500343 555439250 /nfs/dbraw/zinc/43/92/50/555439250.db2.gz QFSBBVPLJDTZGM-HHHXNRCGSA-N 1 2 496.615 5.172 40 0 JKABLO Cc1ccc(C[N@@H+](Cc2cc3cc(C)ccc3[nH]c2=O)[C@@H](c2nnnn2Cc2ccco2)C(C)C)cc1 ZINC000013500343 555439252 /nfs/dbraw/zinc/43/92/52/555439252.db2.gz QFSBBVPLJDTZGM-HHHXNRCGSA-N 1 2 496.615 5.172 40 0 JKABLO Cc1ccc(C[N@H+](Cc2cc3cccc(C)c3[nH]c2=O)[C@@H](c2nnnn2Cc2ccco2)C(C)C)cc1 ZINC000013500335 555439255 /nfs/dbraw/zinc/43/92/55/555439255.db2.gz JLOMAMIHOJCYEV-HHHXNRCGSA-N 1 2 496.615 5.172 40 0 JKABLO Cc1ccc(C[N@@H+](Cc2cc3cccc(C)c3[nH]c2=O)[C@@H](c2nnnn2Cc2ccco2)C(C)C)cc1 ZINC000013500335 555439257 /nfs/dbraw/zinc/43/92/57/555439257.db2.gz JLOMAMIHOJCYEV-HHHXNRCGSA-N 1 2 496.615 5.172 40 0 JKABLO Cc1ccc(C[N@H+](Cc2cc3cc(C)ccc3[nH]c2=O)[C@H](c2nnnn2C2CCCCC2)C(C)C)cc1 ZINC000013500342 555439291 /nfs/dbraw/zinc/43/92/91/555439291.db2.gz NVMVEGQIAIWUMF-NDEPHWFRSA-N 1 2 498.675 6.036 40 0 JKABLO Cc1ccc(C[N@@H+](Cc2cc3cc(C)ccc3[nH]c2=O)[C@H](c2nnnn2C2CCCCC2)C(C)C)cc1 ZINC000013500342 555439293 /nfs/dbraw/zinc/43/92/93/555439293.db2.gz NVMVEGQIAIWUMF-NDEPHWFRSA-N 1 2 498.675 6.036 40 0 JKABLO Cc1ccc(C[N@H+](Cc2cc3cccc(C)c3[nH]c2=O)[C@H](c2nnnn2C2CCCC2)C(C)C)cc1 ZINC000013500334 555439341 /nfs/dbraw/zinc/43/93/41/555439341.db2.gz LJSOLULKAZMJDR-MHZLTWQESA-N 1 2 484.648 5.646 40 0 JKABLO Cc1ccc(C[N@@H+](Cc2cc3cccc(C)c3[nH]c2=O)[C@H](c2nnnn2C2CCCC2)C(C)C)cc1 ZINC000013500334 555439344 /nfs/dbraw/zinc/43/93/44/555439344.db2.gz LJSOLULKAZMJDR-MHZLTWQESA-N 1 2 484.648 5.646 40 0 JKABLO Cc1ccc(C[N@H+](Cc2cc3cc(C)ccc3[nH]c2=O)[C@H](c2nnnn2Cc2ccco2)C(C)C)cc1 ZINC000013500344 555439404 /nfs/dbraw/zinc/43/94/04/555439404.db2.gz QFSBBVPLJDTZGM-MHZLTWQESA-N 1 2 496.615 5.172 40 0 JKABLO Cc1ccc(C[N@@H+](Cc2cc3cc(C)ccc3[nH]c2=O)[C@H](c2nnnn2Cc2ccco2)C(C)C)cc1 ZINC000013500344 555439407 /nfs/dbraw/zinc/43/94/07/555439407.db2.gz QFSBBVPLJDTZGM-MHZLTWQESA-N 1 2 496.615 5.172 40 0 JKABLO Cc1ccc2[nH]c(=O)c(C[N@@H+](Cc3cccs3)[C@@H](c3nnnn3Cc3ccccc3)C(C)C)cc2c1 ZINC000013500490 555440583 /nfs/dbraw/zinc/44/05/83/555440583.db2.gz QXVHOOIMVGBAGX-AREMUKBSSA-N 1 2 498.656 5.332 40 0 JKABLO Cc1ccc2[nH]c(=O)c(C[N@H+](Cc3cccs3)[C@@H](c3nnnn3Cc3ccccc3)C(C)C)cc2c1 ZINC000013500490 555440589 /nfs/dbraw/zinc/44/05/89/555440589.db2.gz QXVHOOIMVGBAGX-AREMUKBSSA-N 1 2 498.656 5.332 40 0 JKABLO CCC[C@H](c1nnnn1C(C)(C)C)[N@H+](Cc1cccs1)Cc1cc2cc(OCC)ccc2[nH]c1=O ZINC000013500750 555443497 /nfs/dbraw/zinc/44/34/97/555443497.db2.gz MJBBFFQXXNDKBA-HSZRJFAPSA-N 1 2 494.665 5.273 40 0 JKABLO CCC[C@H](c1nnnn1C(C)(C)C)[N@@H+](Cc1cccs1)Cc1cc2cc(OCC)ccc2[nH]c1=O ZINC000013500750 555443499 /nfs/dbraw/zinc/44/34/99/555443499.db2.gz MJBBFFQXXNDKBA-HSZRJFAPSA-N 1 2 494.665 5.273 40 0 JKABLO CCC[C@@H](c1nnnn1C1CCCC1)[N@H+](Cc1ccccc1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013500797 555443851 /nfs/dbraw/zinc/44/38/51/555443851.db2.gz ZCOKZCHBLVFYGI-SANMLTNESA-N 1 2 484.648 5.790 40 0 JKABLO CCC[C@@H](c1nnnn1C1CCCC1)[N@@H+](Cc1ccccc1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013500797 555443853 /nfs/dbraw/zinc/44/38/53/555443853.db2.gz ZCOKZCHBLVFYGI-SANMLTNESA-N 1 2 484.648 5.790 40 0 JKABLO CCC[C@H](c1nnnn1C1CCCCC1)[N@H+](Cc1ccc(C)cc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013500818 555444251 /nfs/dbraw/zinc/44/42/51/555444251.db2.gz PQMPKJUNRBQGNN-MUUNZHRXSA-N 1 2 498.675 6.180 40 0 JKABLO CCC[C@H](c1nnnn1C1CCCCC1)[N@@H+](Cc1ccc(C)cc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013500818 555444254 /nfs/dbraw/zinc/44/42/54/555444254.db2.gz PQMPKJUNRBQGNN-MUUNZHRXSA-N 1 2 498.675 6.180 40 0 JKABLO CCC[C@@H](c1nnnn1C1CCCC1)[N@H+](Cc1ccc(C)cc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013500809 555444329 /nfs/dbraw/zinc/44/43/29/555444329.db2.gz SKAUBZBLNDJIGK-SANMLTNESA-N 1 2 484.648 5.790 40 0 JKABLO CCC[C@@H](c1nnnn1C1CCCC1)[N@@H+](Cc1ccc(C)cc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013500809 555444332 /nfs/dbraw/zinc/44/43/32/555444332.db2.gz SKAUBZBLNDJIGK-SANMLTNESA-N 1 2 484.648 5.790 40 0 JKABLO CCC[C@H](c1nnnn1Cc1ccco1)[N@H+](Cc1cccs1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013500966 555445970 /nfs/dbraw/zinc/44/59/70/555445970.db2.gz SXMHSDONJURGQT-XMMPIXPASA-N 1 2 488.617 5.069 40 0 JKABLO CCC[C@H](c1nnnn1Cc1ccco1)[N@@H+](Cc1cccs1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013500966 555445973 /nfs/dbraw/zinc/44/59/73/555445973.db2.gz SXMHSDONJURGQT-XMMPIXPASA-N 1 2 488.617 5.069 40 0 JKABLO Cc1cccc2cc(C[N@H+](Cc3ccco3)C3(c4nnnn4C4CCCCC4)CCCC3)c(=O)[nH]c12 ZINC000013501237 555448502 /nfs/dbraw/zinc/44/85/02/555448502.db2.gz LKPYYPXAYKEDEU-UHFFFAOYSA-N 1 2 486.620 5.393 40 0 JKABLO Cc1cccc2cc(C[N@@H+](Cc3ccco3)C3(c4nnnn4C4CCCCC4)CCCC3)c(=O)[nH]c12 ZINC000013501237 555448506 /nfs/dbraw/zinc/44/85/06/555448506.db2.gz LKPYYPXAYKEDEU-UHFFFAOYSA-N 1 2 486.620 5.393 40 0 JKABLO Cc1cccc2cc(C[N@H+](Cc3ccccc3)C3(c4nnnn4C4CCCCC4)CCCC3)c(=O)[nH]c12 ZINC000013501236 555448543 /nfs/dbraw/zinc/44/85/43/555448543.db2.gz OMJMLAOAYDBTED-UHFFFAOYSA-N 1 2 496.659 5.800 40 0 JKABLO Cc1cccc2cc(C[N@@H+](Cc3ccccc3)C3(c4nnnn4C4CCCCC4)CCCC3)c(=O)[nH]c12 ZINC000013501236 555448547 /nfs/dbraw/zinc/44/85/47/555448547.db2.gz OMJMLAOAYDBTED-UHFFFAOYSA-N 1 2 496.659 5.800 40 0 JKABLO Cc1ccc2[nH]c(=O)c(C[N@H+](Cc3ccco3)C3(c4nnnn4C4CCCC4)CCCCC3)cc2c1 ZINC000013501246 555448630 /nfs/dbraw/zinc/44/86/30/555448630.db2.gz OOKXYBFGLSOQIE-UHFFFAOYSA-N 1 2 486.620 5.393 40 0 JKABLO Cc1ccc2[nH]c(=O)c(C[N@@H+](Cc3ccco3)C3(c4nnnn4C4CCCC4)CCCCC3)cc2c1 ZINC000013501246 555448634 /nfs/dbraw/zinc/44/86/34/555448634.db2.gz OOKXYBFGLSOQIE-UHFFFAOYSA-N 1 2 486.620 5.393 40 0 JKABLO Cc1ccc(C[N@H+](Cc2cc3cc(C)ccc3[nH]c2=O)C2(c3nnnn3C3CCCC3)CCCC2)cc1 ZINC000013501223 555448749 /nfs/dbraw/zinc/44/87/49/555448749.db2.gz XRFQNAPOMZTEEB-UHFFFAOYSA-N 1 2 496.659 5.718 40 0 JKABLO Cc1ccc(C[N@@H+](Cc2cc3cc(C)ccc3[nH]c2=O)C2(c3nnnn3C3CCCC3)CCCC2)cc1 ZINC000013501223 555448751 /nfs/dbraw/zinc/44/87/51/555448751.db2.gz XRFQNAPOMZTEEB-UHFFFAOYSA-N 1 2 496.659 5.718 40 0 JKABLO Cc1ccc2[nH]c(=O)c(C[N@H+](Cc3ccco3)C3(c4nnnn4C4CCCCC4)CCCC3)cc2c1 ZINC000013501238 555448764 /nfs/dbraw/zinc/44/87/64/555448764.db2.gz NMSYDTCTQFILER-UHFFFAOYSA-N 1 2 486.620 5.393 40 0 JKABLO Cc1ccc2[nH]c(=O)c(C[N@@H+](Cc3ccco3)C3(c4nnnn4C4CCCCC4)CCCC3)cc2c1 ZINC000013501238 555448766 /nfs/dbraw/zinc/44/87/66/555448766.db2.gz NMSYDTCTQFILER-UHFFFAOYSA-N 1 2 486.620 5.393 40 0 JKABLO CC[N@H+](Cc1ccccc1)[C@H](c1nnnn1Cc1ccc(F)cc1)c1ccc(C(F)(F)F)cc1 ZINC000013561789 555495174 /nfs/dbraw/zinc/49/51/74/555495174.db2.gz BWRIJHIOZBJMGU-QHCPKHFHSA-N 1 2 469.486 5.491 40 0 JKABLO CC[N@@H+](Cc1ccccc1)[C@H](c1nnnn1Cc1ccc(F)cc1)c1ccc(C(F)(F)F)cc1 ZINC000013561789 555495176 /nfs/dbraw/zinc/49/51/76/555495176.db2.gz BWRIJHIOZBJMGU-QHCPKHFHSA-N 1 2 469.486 5.491 40 0 JKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(C)cc4Cl)cc3n2)c(C)c1 ZINC000014272810 555771115 /nfs/dbraw/zinc/77/11/15/555771115.db2.gz ZEVJMEGPFSFQRP-UHFFFAOYSA-N 1 2 461.997 6.098 40 0 JKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)c4ccc(F)cc4)cc3n2)c(C)c1 ZINC000014275854 555782075 /nfs/dbraw/zinc/78/20/75/555782075.db2.gz DZPZRHQYRHFMPR-UHFFFAOYSA-N 1 2 490.608 5.149 40 0 JKABLO O=C(NC(=S)Nc1ccc(C[NH+]2CCOCC2)cc1)c1ccc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000014276292 555783435 /nfs/dbraw/zinc/78/34/35/555783435.db2.gz UYYAGUWBPIIKTN-UHFFFAOYSA-N 1 2 490.412 5.212 40 0 JKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=O)COc4ccc(Cl)c(C)c4)cc3n2)c(C)c1 ZINC000014278572 555788843 /nfs/dbraw/zinc/78/88/43/555788843.db2.gz IJAXRBBJDCXFEQ-UHFFFAOYSA-N 1 2 492.023 5.863 40 0 JKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(Cl)c(Cl)c4)cc3n2)c(C)c1 ZINC000014278551 555788871 /nfs/dbraw/zinc/78/88/71/555788871.db2.gz LIWAUQWMIGUQSK-UHFFFAOYSA-N 1 2 482.415 6.443 40 0 JKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=O)COc4ccc(Cl)cc4)cc3n2)c(C)c1 ZINC000014278564 555788888 /nfs/dbraw/zinc/78/88/88/555788888.db2.gz CNXFIWBZOFDQRJ-UHFFFAOYSA-N 1 2 477.996 5.554 40 0 JKABLO CCOc1ccc(C(=O)Nc2cc3nn(-c4ccc([NH+](CC)CC)cc4C)nc3cc2C)cc1Cl ZINC000014278582 555788932 /nfs/dbraw/zinc/78/89/32/555788932.db2.gz VXIBWQCKJYEZOM-UHFFFAOYSA-N 1 2 492.023 6.188 40 0 JKABLO CCCCOc1cccc(C(=O)Nc2cc3nn(-c4ccc([NH+](CC)CC)cc4C)nc3cc2C)c1 ZINC000014278593 555789145 /nfs/dbraw/zinc/78/91/45/555789145.db2.gz FFTKCSYFRXCTCG-UHFFFAOYSA-N 1 2 485.632 6.315 40 0 JKABLO Cc1ccc(C)c(NC(=S)N2CC[NH+](C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)c1 ZINC000022532473 555932413 /nfs/dbraw/zinc/93/24/13/555932413.db2.gz NGTAPSOQGAXXNY-UHFFFAOYSA-N 1 2 451.586 5.686 40 0 JKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=O)c4cccc(OC(C)C)c4)cc3n2)cc1 ZINC000022564501 555935256 /nfs/dbraw/zinc/93/52/56/555935256.db2.gz LWNLDZVNNCYIBX-UHFFFAOYSA-N 1 2 457.578 5.615 40 0 JKABLO CCCOc1ccc(C(=O)Nc2cc3nn(-c4ccc([NH+](CC)CC)cc4)nc3cc2C)cc1 ZINC000022564515 555935361 /nfs/dbraw/zinc/93/53/61/555935361.db2.gz BMTVREQECPMYQW-UHFFFAOYSA-N 1 2 457.578 5.616 40 0 JKABLO CCCCOc1cccc(C(=O)Nc2cc3nn(-c4ccc([NH+](CC)CC)cc4)nc3cc2C)c1 ZINC000022707781 555944246 /nfs/dbraw/zinc/94/42/46/555944246.db2.gz NJTBYWVRNMTXGW-UHFFFAOYSA-N 1 2 471.605 6.006 40 0 JKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=O)COc4cccc5ccccc54)cc3n2)cc1 ZINC000022716316 555947783 /nfs/dbraw/zinc/94/77/83/555947783.db2.gz PNMRLHVJQLYGBU-UHFFFAOYSA-N 1 2 479.584 5.746 40 0 JKABLO COc1cc(NC(=S)N2CC[NH+](C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc(OC)c1 ZINC000022740851 555949232 /nfs/dbraw/zinc/94/92/32/555949232.db2.gz UKSILFQVGUAXCQ-UHFFFAOYSA-N 1 2 483.584 5.086 40 0 JKABLO COc1ccc(OC)c(NC(=S)N2CC[NH+](C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)c1 ZINC000022740859 555949265 /nfs/dbraw/zinc/94/92/65/555949265.db2.gz WCPIACAZZUCOLP-UHFFFAOYSA-N 1 2 483.584 5.086 40 0 JKABLO COc1ccc(Cl)cc1NC(=S)N1CC[NH+](C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000022745918 555950837 /nfs/dbraw/zinc/95/08/37/555950837.db2.gz NHYXGYYGGXOOKB-UHFFFAOYSA-N 1 2 488.003 5.731 40 0 JKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=O)COc4cc(C)c(Cl)c(C)c4)cc3n2)cc1 ZINC000022750171 555952311 /nfs/dbraw/zinc/95/23/11/555952311.db2.gz VWBAKGDUFSBFBI-UHFFFAOYSA-N 1 2 492.023 5.863 40 0 JKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=O)COc4c(C)cc(C)cc4Cl)cc3n2)cc1 ZINC000022750176 555952404 /nfs/dbraw/zinc/95/24/04/555952404.db2.gz RCVBDTBKEGLVEP-UHFFFAOYSA-N 1 2 492.023 5.863 40 0 JKABLO COc1ccc(CCNC(=S)N(CCc2[nH]c3cc(C)c(C)cc3[nH+]2)C2CCCC2)cc1OC ZINC000012879895 556123357 /nfs/dbraw/zinc/12/33/57/556123357.db2.gz HIKAUDHMBHFUTJ-UHFFFAOYSA-N 1 2 480.678 5.101 40 0 JKABLO Cc1ccc(C(=O)N2CCN(c3nc(N[C@@H](C)c4ccccc4)c4ccccc4[nH+]3)CC2)cc1 ZINC000016291934 556133690 /nfs/dbraw/zinc/13/36/90/556133690.db2.gz NPCZSIXVAULXBJ-NRFANRHFSA-N 1 2 451.574 5.074 40 0 JKABLO Cc1cccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3SCc2c(F)cccc2Cl)c1 ZINC000016757712 556157757 /nfs/dbraw/zinc/15/77/57/556157757.db2.gz NKMGPKZKLFIDOU-UHFFFAOYSA-N 1 2 459.977 7.481 40 0 JKABLO CCOC(=O)[C@@H](CC)Sc1[nH+]cnc2c1c(-c1ccccc1)cn2-c1cccc(Cl)c1 ZINC000016757785 556157831 /nfs/dbraw/zinc/15/78/31/556157831.db2.gz IBXMWAPKZZRVCD-HXUWFJFHSA-N 1 2 451.979 6.175 40 0 JKABLO Cc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3SCc2ccccc2Cl)cc1Cl ZINC000016758024 556158070 /nfs/dbraw/zinc/15/80/70/556158070.db2.gz MDTDYVMPEABTHI-UHFFFAOYSA-N 1 2 476.432 7.995 40 0 JKABLO CCOC(=O)CSc1[nH+]cnc2c1c(-c1ccccc1)cn2-c1ccc(Br)cc1 ZINC000016758005 556158105 /nfs/dbraw/zinc/15/81/05/556158105.db2.gz ZRSPGPZVNHDDTN-UHFFFAOYSA-N 1 2 468.376 5.505 40 0 JKABLO Fc1cccc(Cl)c1CSc1[nH+]cnc2c1c(-c1ccccc1)cn2-c1ccc(Cl)cc1 ZINC000016757903 556158137 /nfs/dbraw/zinc/15/81/37/556158137.db2.gz MRYRNJWCNYAOFW-UHFFFAOYSA-N 1 2 480.395 7.826 40 0 JKABLO Fc1ccc(CSc2[nH+]cnc3c2c(-c2ccccc2)cn3-c2ccc(Br)cc2)cc1 ZINC000016757960 556158170 /nfs/dbraw/zinc/15/81/70/556158170.db2.gz BDWAKRNNIZMCRH-UHFFFAOYSA-N 1 2 490.401 7.281 40 0 JKABLO COC(=O)[C@H](C)Sc1[nH+]cnc2c1c(-c1ccccc1)cn2-c1ccc(Br)cc1 ZINC000016757950 556158181 /nfs/dbraw/zinc/15/81/81/556158181.db2.gz FMTSVVRKUALFFY-AWEZNQCLSA-N 1 2 468.376 5.504 40 0 JKABLO CCOC(=O)[C@H](CC)Sc1[nH+]cnc2c1c(-c1ccccc1)cn2-c1ccc(Br)cc1 ZINC000016757978 556158190 /nfs/dbraw/zinc/15/81/90/556158190.db2.gz SQVXZWNBMSUIQQ-FQEVSTJZSA-N 1 2 496.430 6.284 40 0 JKABLO Cc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3SCc2c(F)cccc2Cl)cc1Cl ZINC000016758082 556158443 /nfs/dbraw/zinc/15/84/43/556158443.db2.gz UXAUIWBBXJLNNW-UHFFFAOYSA-N 1 2 494.422 8.134 40 0 JKABLO Cc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3SCc2ccc(F)cc2)cc1Cl ZINC000016758045 556158468 /nfs/dbraw/zinc/15/84/68/556158468.db2.gz RYUQNNVQEBVTAL-UHFFFAOYSA-N 1 2 459.977 7.481 40 0 JKABLO Cc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3SCc2cccc(F)c2)cc1Cl ZINC000016758090 556158477 /nfs/dbraw/zinc/15/84/77/556158477.db2.gz KBKPOEBRHMEANF-UHFFFAOYSA-N 1 2 459.977 7.481 40 0 JKABLO CC(C)(C)c1ccccc1OC[C@@H](O)C[NH+]1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000026781411 556262549 /nfs/dbraw/zinc/26/25/49/556262549.db2.gz DRIFTWKSBVXQAX-SANMLTNESA-N 1 2 458.646 5.131 40 0 JKABLO CCc1ccc(-n2c3nn(C[N@H+](C)Cc4ccc(C)cc4)c(=S)n3c3ccccc3c2=O)cc1 ZINC000013070152 556267432 /nfs/dbraw/zinc/26/74/32/556267432.db2.gz IJOCNEJRAAWGNX-UHFFFAOYSA-N 1 2 469.614 5.130 40 0 JKABLO CCc1ccc(-n2c3nn(C[N@@H+](C)Cc4ccc(C)cc4)c(=S)n3c3ccccc3c2=O)cc1 ZINC000013070152 556267434 /nfs/dbraw/zinc/26/74/34/556267434.db2.gz IJOCNEJRAAWGNX-UHFFFAOYSA-N 1 2 469.614 5.130 40 0 JKABLO CCc1ccc(-n2c3nn(C[N@@H+]4CCC[C@@H]5CCCC[C@@H]54)c(=S)n3c3ccccc3c2=O)cc1 ZINC000013073419 556273093 /nfs/dbraw/zinc/27/30/93/556273093.db2.gz DLSIUUOBBCUDPG-REWPJTCUSA-N 1 2 473.646 5.344 40 0 JKABLO CCc1ccc(-n2c3nn(C[N@H+]4CCC[C@@H]5CCCC[C@@H]54)c(=S)n3c3ccccc3c2=O)cc1 ZINC000013073419 556273096 /nfs/dbraw/zinc/27/30/96/556273096.db2.gz DLSIUUOBBCUDPG-REWPJTCUSA-N 1 2 473.646 5.344 40 0 JKABLO CC(=O)c1ccc(NC(=S)N2CC[NH+](C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1 ZINC000018141559 556293197 /nfs/dbraw/zinc/29/31/97/556293197.db2.gz HSXVVTORFWMXAL-UHFFFAOYSA-N 1 2 465.569 5.271 40 0 JKABLO O=c1[nH]c(SCc2ccccc2)n[n+]2c1-c1ccccc1N[C@H]2c1cccc(Br)c1 ZINC000027825147 556308578 /nfs/dbraw/zinc/30/85/78/556308578.db2.gz ORGVOXJAHGQXCN-OAQYLSRUSA-O 1 2 478.395 5.164 40 0 JKABLO COc1ccc2cc(C[N@H+](Cc3ccco3)[C@H](c3nnnn3C3CCCCC3)C(C)C)c(=O)[nH]c2c1 ZINC000019445975 556348647 /nfs/dbraw/zinc/34/86/47/556348647.db2.gz MBDUXQUNTFFCDU-VWLOTQADSA-N 1 2 490.608 5.021 40 0 JKABLO COc1ccc2cc(C[N@@H+](Cc3ccco3)[C@H](c3nnnn3C3CCCCC3)C(C)C)c(=O)[nH]c2c1 ZINC000019445975 556348652 /nfs/dbraw/zinc/34/86/52/556348652.db2.gz MBDUXQUNTFFCDU-VWLOTQADSA-N 1 2 490.608 5.021 40 0 JKABLO CC(C)OCCC[NH+](Cn1c2ccccc2sc1=S)Cn1c2ccccc2sc1=S ZINC000031769029 556402955 /nfs/dbraw/zinc/40/29/55/556402955.db2.gz MHDYOSNDPQKEES-UHFFFAOYSA-N 1 2 475.730 6.910 40 0 JKABLO COc1ccc(/C=C/CN2CC[NH+](C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1OC ZINC000033954104 563111294 /nfs/dbraw/zinc/11/12/94/563111294.db2.gz CELDOXOGIZIYPY-ONEGZZNKSA-N 1 2 464.556 5.402 40 0 in-man JKABLO CC1=C(c2ccccc2)C(c2ccccc2)=C(c2ccccc2)[C@]2(c3ccccc3)C(=O)[C@H](C)C[N@H+]12 ZINC000073273379 569704381 /nfs/dbraw/zinc/70/43/81/569704381.db2.gz FAKMIAZIJZGHPT-PBUKZNKTSA-N 1 2 467.612 7.459 40 0 JKABLO CC1=C(c2ccccc2)C(c2ccccc2)=C(c2ccccc2)[C@]2(c3ccccc3)C(=O)[C@H](C)C[N@@H+]12 ZINC000073273379 569704382 /nfs/dbraw/zinc/70/43/82/569704382.db2.gz FAKMIAZIJZGHPT-PBUKZNKTSA-N 1 2 467.612 7.459 40 0 JKABLO O=[S@](c1ccccc1)c1ccc(CO[C@@H](Cn2cc[nH+]c2)c2ccc(Cl)cc2Cl)cc1 ZINC000077292574 569705585 /nfs/dbraw/zinc/70/55/85/569705585.db2.gz RQFZUKGPRWEUHC-DLLPINGYSA-N 1 2 471.409 6.315 40 0 in-vitro JKABLO CC(=O)C(C(C)=O)=c1ccc2c(c1)N1C(c3ccccc3)=C[C@@H](c3ccccc3)[C@@H]3CCCC[C@@]31[NH+]=2 ZINC000036003871 569746700 /nfs/dbraw/zinc/74/67/00/569746700.db2.gz POEVUWKCELIZDE-IUEKTVKYSA-N 1 2 474.604 5.180 40 0 JKABLO CN(C)c1ccc(-c2[nH+]c3n(c2NC(C)(C)CC(C)(C)C)CCN(C(=O)c2cccc(F)c2)C3)cc1 ZINC000100473840 569761833 /nfs/dbraw/zinc/76/18/33/569761833.db2.gz RQCAYZFEQOFPAI-UHFFFAOYSA-N 1 2 491.655 6.038 40 0 JKABLO O=C(Nc1ccc(Cl)cc1C(=O)c1ccccc1)C1CC[NH+](Cc2c(F)cccc2Cl)CC1 ZINC000039761675 569811666 /nfs/dbraw/zinc/81/16/66/569811666.db2.gz KCTRGHVRZLWURD-UHFFFAOYSA-N 1 2 485.386 6.214 40 0 JKABLO O=S(=O)(c1ccc(Cl)c(Cl)c1Cl)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000041091740 569837588 /nfs/dbraw/zinc/83/75/88/569837588.db2.gz RQIRHDDLXVILQJ-UHFFFAOYSA-N 1 2 495.859 5.743 40 0 JKABLO CCOc1cc(C)c(C(C)C)cc1S(=O)(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000041091746 569837649 /nfs/dbraw/zinc/83/76/49/569837649.db2.gz YGQWBUIYJYLXBU-UHFFFAOYSA-N 1 2 492.685 5.613 40 0 JKABLO COc1ccc2c(c1)C[N@H+]([C@H](C)[C@H]1CC[C@H]3[C@@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]13C)CO2 ZINC000118915650 569863081 /nfs/dbraw/zinc/86/30/81/569863081.db2.gz JVEDHWWWBFCUKI-MRYQPNMQSA-N 1 2 467.694 6.255 40 0 in-vitro JKABLO COc1ccc2c(c1)C[N@@H+]([C@H](C)[C@H]1CC[C@H]3[C@@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]13C)CO2 ZINC000118915650 569863082 /nfs/dbraw/zinc/86/30/82/569863082.db2.gz JVEDHWWWBFCUKI-MRYQPNMQSA-N 1 2 467.694 6.255 40 0 in-vitro JKABLO CC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2ccc([NH+](C)C)cc2)cc1 ZINC000223983836 569929427 /nfs/dbraw/zinc/92/94/27/569929427.db2.gz JCTXQWSVMOUQED-RRPNLBNLSA-N 1 2 496.640 5.074 40 0 JKABLO COc1ccc(C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)cc1COc1ccccc1C ZINC000224105473 569933353 /nfs/dbraw/zinc/93/33/53/569933353.db2.gz NMSZJRKAXWWHBD-XYOKQWHBSA-N 1 2 456.586 5.054 40 0 JKABLO Cc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc([NH+](C)C)cc2)c1 ZINC000224242774 569937836 /nfs/dbraw/zinc/93/78/36/569937836.db2.gz YWKIKHHRBQTOSE-FTJBHMTQSA-N 1 2 453.615 5.424 40 0 JKABLO Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2ccc([NH+](C)C)cc2)cc1C ZINC000224275544 569938879 /nfs/dbraw/zinc/93/88/79/569938879.db2.gz GUFQKZSCCAHODE-RRPNLBNLSA-N 1 2 467.642 5.732 40 0 JKABLO CCc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc([NH+](C)C)cc2)cc1 ZINC000224343274 569941257 /nfs/dbraw/zinc/94/12/57/569941257.db2.gz ZYZQLIFTONDSMN-SXOMAYOGSA-N 1 2 467.642 5.678 40 0 JKABLO CCc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2ccc([NH+](C)C)cc2)cc1 ZINC000224343359 569941301 /nfs/dbraw/zinc/94/13/01/569941301.db2.gz ZYZQLIFTONDSMN-KAYWLYCHSA-N 1 2 467.642 5.678 40 0 JKABLO CC(C)c1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2ccc([NH+](C)C)cc2)cc1 ZINC000224375413 569942437 /nfs/dbraw/zinc/94/24/37/569942437.db2.gz PASDNYARETWSGD-WUFINQPMSA-N 1 2 481.669 6.239 40 0 JKABLO C[NH+](C)c1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2F)cc1 ZINC000224440397 569944614 /nfs/dbraw/zinc/94/46/14/569944614.db2.gz BIOOQQXQUZYMON-LOSJGSFVSA-N 1 2 457.578 5.255 40 0 JKABLO C[NH+](C)c1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2F)cc1 ZINC000224440316 569944639 /nfs/dbraw/zinc/94/46/39/569944639.db2.gz BIOOQQXQUZYMON-JWQCQUIFSA-N 1 2 457.578 5.255 40 0 JKABLO CCOc1ccc(C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)cc1COc1ccc(Cl)cc1 ZINC000224505896 569946615 /nfs/dbraw/zinc/94/66/15/569946615.db2.gz UZLSLWIJNFSDBO-RMKNXTFCSA-N 1 2 491.031 5.789 40 0 JKABLO COc1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1ccc([NH+](C)C)cc1 ZINC000224575544 569949174 /nfs/dbraw/zinc/94/91/74/569949174.db2.gz BQJJKNBCCBLXDR-IZZNHLLZSA-N 1 2 469.614 5.124 40 0 JKABLO COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2ccc([NH+](C)C)cc2)c(OC)c1 ZINC000224814302 569958817 /nfs/dbraw/zinc/95/88/17/569958817.db2.gz XBMYQHFUFQKGGK-RRPNLBNLSA-N 1 2 499.640 5.133 40 0 JKABLO C[NH+](C)c1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2O)cc1 ZINC000224876674 569961333 /nfs/dbraw/zinc/96/13/33/569961333.db2.gz QRNZLDSLIPWKOV-JWQCQUIFSA-N 1 2 490.032 5.474 40 0 JKABLO O=C(Nc1ccc(OCC[NH+]2CCOCC2)cc1)C1(c2ccc(Cl)cc2Cl)CCCC1 ZINC000225528930 570002778 /nfs/dbraw/zinc/00/27/78/570002778.db2.gz CYRBNHWHYRRDTJ-UHFFFAOYSA-N 1 2 463.405 5.155 40 0 JKABLO O=C(Nc1ccc(OCC[NH+]2CCOCC2)cc1)C1(c2ccc(Cl)cc2Cl)CCCCC1 ZINC000225556254 570005504 /nfs/dbraw/zinc/00/55/04/570005504.db2.gz ZGJIMBSBQMGKFJ-UHFFFAOYSA-N 1 2 477.432 5.545 40 0 JKABLO COc1cc(C)c(S(=O)(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1C(C)C ZINC000225804194 570022613 /nfs/dbraw/zinc/02/26/13/570022613.db2.gz DVRSINWRNFPUDA-UHFFFAOYSA-N 1 2 478.658 5.223 40 0 JKABLO O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccc(C[NH+]2CCN(Cc3ccccc3)CC2)cc1 ZINC000408859251 570057011 /nfs/dbraw/zinc/05/70/11/570057011.db2.gz NOLBZJSFUVBLKW-UHFFFAOYSA-N 1 2 487.953 5.929 40 0 JKABLO C=C1[NH+]=C(SCC(=O)Nc2cccc(C)c2)N[C@H](c2cccc(Cl)c2Cl)C1C(=O)OCC ZINC000408990512 570093753 /nfs/dbraw/zinc/09/37/53/570093753.db2.gz NMLMDOVOBIJWNW-OAQYLSRUSA-N 1 2 492.428 5.511 40 0 JKABLO C=C1[NH+]=C(SCC(=O)Nc2cccc(C)c2)N[C@@H](c2cccc(Cl)c2Cl)C1C(=O)OCC ZINC000408990511 570093844 /nfs/dbraw/zinc/09/38/44/570093844.db2.gz NMLMDOVOBIJWNW-NRFANRHFSA-N 1 2 492.428 5.511 40 0 JKABLO C=C1[NH+]=C(SCc2ccc(F)cc2)N[C@H](c2cccc(Cl)c2Cl)C1C(=O)OCC ZINC000408994402 570095121 /nfs/dbraw/zinc/09/51/21/570095121.db2.gz ZLUKPDSRFWTNIF-LJQANCHMSA-N 1 2 453.366 5.903 40 0 JKABLO Cc1cc(C)c2cc(C[N@@H+](C[C@H]3CCCO3)[C@H](c3nnnn3C3CCCC3)C(C)C)c(=O)[nH]c2c1 ZINC000253500303 570101411 /nfs/dbraw/zinc/10/14/11/570101411.db2.gz BBTKXVPWIMYQCZ-RDGATRHJSA-N 1 2 478.641 5.037 40 0 JKABLO Cc1cc(C)c2cc(C[N@H+](C[C@H]3CCCO3)[C@H](c3nnnn3C3CCCC3)C(C)C)c(=O)[nH]c2c1 ZINC000253500303 570101412 /nfs/dbraw/zinc/10/14/12/570101412.db2.gz BBTKXVPWIMYQCZ-RDGATRHJSA-N 1 2 478.641 5.037 40 0 JKABLO CCC[C@H](c1nnnn1C(C)(C)CC)[N@@H+](Cc1cc2cc(C)c(C)cc2[nH]c1=O)C[C@H]1CCCO1 ZINC000253500497 570101876 /nfs/dbraw/zinc/10/18/76/570101876.db2.gz RSYHNGGXDMIRBQ-ISKFKSNPSA-N 1 2 480.657 5.211 40 0 JKABLO CCC[C@H](c1nnnn1C(C)(C)CC)[N@H+](Cc1cc2cc(C)c(C)cc2[nH]c1=O)C[C@H]1CCCO1 ZINC000253500497 570101878 /nfs/dbraw/zinc/10/18/78/570101878.db2.gz RSYHNGGXDMIRBQ-ISKFKSNPSA-N 1 2 480.657 5.211 40 0 JKABLO CCC(C)(C)n1nnnc1[C@H](C(C)C)[N@@H+](Cc1cc2c(C)cc(C)cc2[nH]c1=O)C[C@H]1CCCO1 ZINC000253500496 570102018 /nfs/dbraw/zinc/10/20/18/570102018.db2.gz RIPXTVCAQJJNDV-QPPBQGQZSA-N 1 2 480.657 5.067 40 0 JKABLO CCC(C)(C)n1nnnc1[C@H](C(C)C)[N@H+](Cc1cc2c(C)cc(C)cc2[nH]c1=O)C[C@H]1CCCO1 ZINC000253500496 570102019 /nfs/dbraw/zinc/10/20/19/570102019.db2.gz RIPXTVCAQJJNDV-QPPBQGQZSA-N 1 2 480.657 5.067 40 0 JKABLO CCC(C)(C)n1nnnc1[C@H](C(C)C)[N@@H+](Cc1cc2ccc(C)c(C)c2[nH]c1=O)C[C@H]1CCCO1 ZINC000253500547 570102152 /nfs/dbraw/zinc/10/21/52/570102152.db2.gz VSCYNKAUNIAKQA-VWNXMTODSA-N 1 2 480.657 5.067 40 0 JKABLO CCC(C)(C)n1nnnc1[C@H](C(C)C)[N@H+](Cc1cc2ccc(C)c(C)c2[nH]c1=O)C[C@H]1CCCO1 ZINC000253500547 570102153 /nfs/dbraw/zinc/10/21/53/570102153.db2.gz VSCYNKAUNIAKQA-VWNXMTODSA-N 1 2 480.657 5.067 40 0 JKABLO Cc1ccc2cc(C[N@@H+](C[C@H]3CCCO3)[C@H](c3nnnn3C3CCCCC3)C(C)C)c(=O)[nH]c2c1C ZINC000253500564 570102209 /nfs/dbraw/zinc/10/22/09/570102209.db2.gz WZUSHYPBRRGLCJ-RSXGOPAZSA-N 1 2 492.668 5.427 40 0 JKABLO Cc1ccc2cc(C[N@H+](C[C@H]3CCCO3)[C@H](c3nnnn3C3CCCCC3)C(C)C)c(=O)[nH]c2c1C ZINC000253500564 570102210 /nfs/dbraw/zinc/10/22/10/570102210.db2.gz WZUSHYPBRRGLCJ-RSXGOPAZSA-N 1 2 492.668 5.427 40 0 JKABLO CCCCC[C@]1(O)CC[N@H+](CC(=O)Nc2ccc(C(F)(F)F)cc2)C[C@@H]1Oc1ccccc1 ZINC000257199709 570107543 /nfs/dbraw/zinc/10/75/43/570107543.db2.gz AAOPRQYTLRAXQW-UPVQGACJSA-N 1 2 464.528 5.109 40 0 JKABLO CCCCC[C@]1(O)CC[N@@H+](CC(=O)Nc2ccc(C(F)(F)F)cc2)C[C@@H]1Oc1ccccc1 ZINC000257199709 570107544 /nfs/dbraw/zinc/10/75/44/570107544.db2.gz AAOPRQYTLRAXQW-UPVQGACJSA-N 1 2 464.528 5.109 40 0 JKABLO O=C(c1ccccc1Cn1cc[nH+]c1)N1CCC[C@@H](c2cccc(Oc3cccc(F)c3)n2)C1 ZINC000257218850 570113761 /nfs/dbraw/zinc/11/37/61/570113761.db2.gz DEPBBOYFOHSCIN-OAQYLSRUSA-N 1 2 456.521 5.278 40 0 JKABLO CC(C)C[C@]1(O)CC[N@H+](CC(=O)Nc2ccc(Oc3ccccc3)cc2)C[C@@H]1Oc1ccc(F)cc1 ZINC000257220560 570114275 /nfs/dbraw/zinc/11/42/75/570114275.db2.gz DLFJKGQDSXNSQU-LMSSTIIKSA-N 1 2 492.591 5.487 40 0 JKABLO CC(C)C[C@]1(O)CC[N@@H+](CC(=O)Nc2ccc(Oc3ccccc3)cc2)C[C@@H]1Oc1ccc(F)cc1 ZINC000257220560 570114276 /nfs/dbraw/zinc/11/42/76/570114276.db2.gz DLFJKGQDSXNSQU-LMSSTIIKSA-N 1 2 492.591 5.487 40 0 JKABLO CCc1[nH+]ccn1-c1ccc(C(=O)N2CCC[C@@H](c3ncc(Cc4cccc(Cl)c4)o3)C2)cn1 ZINC000257238471 570119778 /nfs/dbraw/zinc/11/97/78/570119778.db2.gz HLCQUZQYGVDZTC-HXUWFJFHSA-N 1 2 475.980 5.082 40 0 JKABLO Cc1[nH]c2ccc(CCC(=O)N3CCC[C@@H]3c3cccc(Cc4ccc(C(F)(F)F)cc4)n3)cc2[nH+]1 ZINC000257241367 570120539 /nfs/dbraw/zinc/12/05/39/570120539.db2.gz HXUONCNTFMDHKG-AREMUKBSSA-N 1 2 492.545 6.172 40 0 JKABLO Cc1[nH]c2cc(CCC(=O)N3CCC[C@@H]3c3cccc(Cc4ccc(C(F)(F)F)cc4)n3)ccc2[nH+]1 ZINC000257241367 570120540 /nfs/dbraw/zinc/12/05/40/570120540.db2.gz HXUONCNTFMDHKG-AREMUKBSSA-N 1 2 492.545 6.172 40 0 JKABLO CC(C)c1cc(-c2cc(N[C@H](C)CCc3ccccc3)nc(N)[nH+]2)n(-c2ccc(Cl)cc2)n1 ZINC000257268806 570129307 /nfs/dbraw/zinc/12/93/07/570129307.db2.gz MNGYRJXPDVVBPB-GOSISDBHSA-N 1 2 461.013 6.122 40 0 JKABLO CCCCC[C@]1(O)CC[N@H+](CC(=O)Nc2ccc(Oc3cccnc3)cc2)C[C@@H]1Oc1ccccc1 ZINC000257271824 570130183 /nfs/dbraw/zinc/13/01/83/570130183.db2.gz MZXVMNJKHLNBOV-YTMVLYRLSA-N 1 2 489.616 5.277 40 0 JKABLO CCCCC[C@]1(O)CC[N@@H+](CC(=O)Nc2ccc(Oc3cccnc3)cc2)C[C@@H]1Oc1ccccc1 ZINC000257271824 570130185 /nfs/dbraw/zinc/13/01/85/570130185.db2.gz MZXVMNJKHLNBOV-YTMVLYRLSA-N 1 2 489.616 5.277 40 0 JKABLO O=C(c1ccccc1Cn1cc[nH+]c1)N1CCC[C@H]1c1cncc(Oc2ccc(Cl)cc2)n1 ZINC000257274644 570131022 /nfs/dbraw/zinc/13/10/22/570131022.db2.gz NLYRZFKLEBVXHK-QHCPKHFHSA-N 1 2 459.937 5.144 40 0 JKABLO O=C(C[N@H+]1CC[C@]2(CN(c3cccc(Cl)c3)C(=O)O2)C1)Nc1ccccc1-c1ccccc1 ZINC000257307329 570140538 /nfs/dbraw/zinc/14/05/38/570140538.db2.gz SYFDWZRXUJAMTN-AREMUKBSSA-N 1 2 461.949 5.047 40 0 JKABLO O=C(C[N@@H+]1CC[C@]2(CN(c3cccc(Cl)c3)C(=O)O2)C1)Nc1ccccc1-c1ccccc1 ZINC000257307329 570140539 /nfs/dbraw/zinc/14/05/39/570140539.db2.gz SYFDWZRXUJAMTN-AREMUKBSSA-N 1 2 461.949 5.047 40 0 JKABLO CC(=O)c1ccc(NC(=O)C[N@@H+]2CC[C@@H]3O[C@@H]4c5cc(Cl)ccc5OC(C)(C)[C@H]4C[C@@H]3C2)cc1 ZINC000257311079 570141701 /nfs/dbraw/zinc/14/17/01/570141701.db2.gz UHVVCBFSTPWVFW-PVLDIMPDSA-N 1 2 483.008 5.120 40 0 JKABLO CC(=O)c1ccc(NC(=O)C[N@H+]2CC[C@@H]3O[C@@H]4c5cc(Cl)ccc5OC(C)(C)[C@H]4C[C@@H]3C2)cc1 ZINC000257311079 570141702 /nfs/dbraw/zinc/14/17/02/570141702.db2.gz UHVVCBFSTPWVFW-PVLDIMPDSA-N 1 2 483.008 5.120 40 0 JKABLO Cc1ccc2c(c1)OC(C)(C)[C@H]1C[C@@H]3CN(C(=O)c4cccc(Cn5cc[nH+]c5)c4)CC[C@@H]3O[C@H]21 ZINC000257311150 570141748 /nfs/dbraw/zinc/14/17/48/570141748.db2.gz UIFAGMDSXPAMTM-RDNBXWRASA-N 1 2 471.601 5.019 40 0 JKABLO O=C(c1ccccc1Cn1cc[nH+]c1)N1CCC[C@H](c2cccc(Cc3ccc(F)cc3)n2)C1 ZINC000257317888 570143839 /nfs/dbraw/zinc/14/38/39/570143839.db2.gz VLPDYRKLNXXSGV-QHCPKHFHSA-N 1 2 454.549 5.076 40 0 JKABLO O=C(c1cccc(Cn2cc[nH+]c2)c1)N1CCC[C@H](c2cccc(Oc3cccc(F)c3)n2)C1 ZINC000257317475 570143841 /nfs/dbraw/zinc/14/38/41/570143841.db2.gz VJWNGAYNORILGF-QFIPXVFZSA-N 1 2 456.521 5.278 40 0 JKABLO O=C(OCc1ccccc1)N1C[C@@H](O)[C@H]([N@H+](Cc2ccc(F)c(F)c2)Cc2ccccc2Cl)C1 ZINC000257344996 570151872 /nfs/dbraw/zinc/15/18/72/570151872.db2.gz ZZNABVPWXXDGKO-JWQCQUIFSA-N 1 2 486.946 5.002 40 0 JKABLO O=C(OCc1ccccc1)N1C[C@@H](O)[C@H]([N@@H+](Cc2ccc(F)c(F)c2)Cc2ccccc2Cl)C1 ZINC000257344996 570151873 /nfs/dbraw/zinc/15/18/73/570151873.db2.gz ZZNABVPWXXDGKO-JWQCQUIFSA-N 1 2 486.946 5.002 40 0 JKABLO CCCC1=C(C(=O)OCC)[C@H](c2cccc(OCc3c(Cl)cccc3Cl)c2)N2NC=NC2=[NH+]1 ZINC000409179383 570158343 /nfs/dbraw/zinc/15/83/43/570158343.db2.gz MPEFGMZZPLKEIQ-QFIPXVFZSA-N 1 2 487.387 5.449 40 0 JKABLO CCCC1=C(C(=O)OCC)[C@H](c2cccc(OCc3c(Cl)cccc3Cl)c2)N2NC=[NH+]C2=N1 ZINC000409179383 570158345 /nfs/dbraw/zinc/15/83/45/570158345.db2.gz MPEFGMZZPLKEIQ-QFIPXVFZSA-N 1 2 487.387 5.449 40 0 JKABLO CCCC1=C(C(=O)OCC)[C@H](c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)N2NC=NC2=[NH+]1 ZINC000409180084 570158701 /nfs/dbraw/zinc/15/87/01/570158701.db2.gz VLPSOYHWCLFOCK-QFIPXVFZSA-N 1 2 487.387 5.449 40 0 JKABLO CCCC1=C(C(=O)OCC)[C@H](c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)N2NC=[NH+]C2=N1 ZINC000409180084 570158703 /nfs/dbraw/zinc/15/87/03/570158703.db2.gz VLPSOYHWCLFOCK-QFIPXVFZSA-N 1 2 487.387 5.449 40 0 JKABLO CCCC1=C(C(=O)OCC)[C@@H](c2ccc(OCc3ccccc3Cl)c(OCC)c2)N2NC=NC2=[NH+]1 ZINC000409182526 570159855 /nfs/dbraw/zinc/15/98/55/570159855.db2.gz MCPQRVOJPSKTFE-XMMPIXPASA-N 1 2 496.995 5.194 40 0 JKABLO CCCC1=C(C(=O)OCC)[C@@H](c2ccc(OCc3ccccc3Cl)c(OCC)c2)N2NC=[NH+]C2=N1 ZINC000409182526 570159857 /nfs/dbraw/zinc/15/98/57/570159857.db2.gz MCPQRVOJPSKTFE-XMMPIXPASA-N 1 2 496.995 5.194 40 0 JKABLO CCCCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@@H]2C=Cc1ccc(OC)cc1 ZINC000261362013 570167344 /nfs/dbraw/zinc/16/73/44/570167344.db2.gz BTOSWPXSLUFQAM-IGVGMEOHSA-O 1 2 477.610 5.006 40 0 JKABLO CCCCCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N[C@@H]2c1cc(Cl)c(O)c(OC)c1 ZINC000261362564 570167765 /nfs/dbraw/zinc/16/77/65/570167765.db2.gz LFFBHDABPYOKGE-NRFANRHFSA-O 1 2 474.006 5.149 40 0 JKABLO CCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@H]2c1ccc(-c2ccc(Cl)cc2)o1 ZINC000261363953 570168165 /nfs/dbraw/zinc/16/81/65/570168165.db2.gz IROMXFDXFLNUDF-HSZRJFAPSA-O 1 2 479.969 5.076 40 0 JKABLO CCCCCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@@H]2c1ccc(SC)cc1 ZINC000261365633 570169067 /nfs/dbraw/zinc/16/90/67/570169067.db2.gz UHXNWZCZKVSLNV-DEOSSOPVSA-O 1 2 481.667 5.444 40 0 JKABLO CCCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@H]2c1ccc(Cl)cc1Cl ZINC000261365567 570169121 /nfs/dbraw/zinc/16/91/21/570169121.db2.gz TWEOJNABXYHXNB-OAQYLSRUSA-O 1 2 476.409 5.249 40 0 JKABLO CCCCCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@H]2c1ccc(SC)cc1 ZINC000261365634 570169242 /nfs/dbraw/zinc/16/92/42/570169242.db2.gz UHXNWZCZKVSLNV-XMMPIXPASA-O 1 2 481.667 5.444 40 0 JKABLO CCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@@H]2c1ccc(-c2cccc(Cl)c2C)o1 ZINC000261366194 570169381 /nfs/dbraw/zinc/16/93/81/570169381.db2.gz XWECOGDDBQZDDC-DEOSSOPVSA-O 1 2 493.996 5.384 40 0 JKABLO CCCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@@H]2c1cccc(Oc2ccccc2)c1 ZINC000261366232 570169572 /nfs/dbraw/zinc/16/95/72/570169572.db2.gz YECZCHJCYDKLHJ-MHZLTWQESA-O 1 2 499.616 5.735 40 0 JKABLO CCC(=O)N1c2ccccc2-c2c(=O)[nH]c(SC)n[n+]2[C@@H]1c1ccc(-c2ccc(Cl)cc2)o1 ZINC000261366390 570169601 /nfs/dbraw/zinc/16/96/01/570169601.db2.gz ZJQNEYSDGIBNNA-HSZRJFAPSA-O 1 2 479.969 5.076 40 0 JKABLO CCC(=O)N1c2ccccc2-c2c(=O)[nH]c(SC)n[n+]2[C@H]1c1ccc(-c2ccc(Cl)cc2)o1 ZINC000261366391 570169607 /nfs/dbraw/zinc/16/96/07/570169607.db2.gz ZJQNEYSDGIBNNA-QHCPKHFHSA-O 1 2 479.969 5.076 40 0 JKABLO FC(F)(F)Oc1cccc(-c2cc(NCc3ccccc3Cl)nc(NC3CCCCC3)[nH+]2)c1 ZINC000328967299 570179872 /nfs/dbraw/zinc/17/98/72/570179872.db2.gz CTMAVGLEYNMXBV-UHFFFAOYSA-N 1 2 476.930 5.896 40 0 JKABLO Ic1ccccc1Nc1cc(-c2ccccc2)[nH+]c(NC2CCCCC2)n1 ZINC000328983638 570180476 /nfs/dbraw/zinc/18/04/76/570180476.db2.gz HHRBBFQATZUMIP-UHFFFAOYSA-N 1 2 470.358 5.080 40 0 JKABLO CC[C@@H](C)Nc1nc(NCc2ccc(Cl)cc2)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000329017425 570181731 /nfs/dbraw/zinc/18/17/31/570181731.db2.gz NLVSPNIPSBMRMM-CQSZACIVSA-N 1 2 450.892 5.362 40 0 JKABLO CCNc1nc(Nc2cc(C(F)(F)F)ccc2C)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000329019777 570181941 /nfs/dbraw/zinc/18/19/41/570181941.db2.gz NXUBFLVNJJNVMI-UHFFFAOYSA-N 1 2 456.390 5.389 40 0 JKABLO Fc1ccc(CNc2cc(-c3cccc(OC(F)(F)F)c3)[nH+]c(NC3CCCC3)n2)cc1F ZINC000329026492 570182185 /nfs/dbraw/zinc/18/21/85/570182185.db2.gz PLXBGAGXNDGKOY-UHFFFAOYSA-N 1 2 464.438 5.131 40 0 JKABLO CC[C@@H](C)Nc1nc(Nc2ccc(I)cc2Cl)cc(-c2ccccc2)[nH+]1 ZINC000329038119 570182628 /nfs/dbraw/zinc/18/26/28/570182628.db2.gz RRKNJRQIVICVMC-CYBMUJFWSA-N 1 2 478.765 5.199 40 0 JKABLO CC[C@H](C)Nc1nc(Nc2ccc(I)cc2Cl)cc(-c2ccccc2)[nH+]1 ZINC000329038136 570182636 /nfs/dbraw/zinc/18/26/36/570182636.db2.gz RRKNJRQIVICVMC-ZDUSSCGKSA-N 1 2 478.765 5.199 40 0 JKABLO CC(C)[C@H](CO)Nc1nc(Nc2ccc(OC(F)(F)F)c(Cl)c2)cc(-c2ccccc2)[nH+]1 ZINC000329040822 570182796 /nfs/dbraw/zinc/18/27/96/570182796.db2.gz SGITYKKVJCLLBE-SFHVURJKSA-N 1 2 466.891 5.868 40 0 JKABLO CCNc1nc(Nc2cccc(C(F)(F)F)c2C)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000329043076 570182892 /nfs/dbraw/zinc/18/28/92/570182892.db2.gz SQSUCBPMHBMNJI-UHFFFAOYSA-N 1 2 456.390 5.389 40 0 JKABLO CC(C)[C@@H](CO)Nc1nc(NCc2ccccc2Cl)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000329066588 570183675 /nfs/dbraw/zinc/18/36/75/570183675.db2.gz YBKYZPDHQKKZIS-HXUWFJFHSA-N 1 2 480.918 5.737 40 0 JKABLO CCOc1cc([C@H]2C(C(=O)Nc3ccc(Cl)cc3)=C(C)Nc3[nH+]c4ccccc4n32)ccc1O ZINC000020797566 195226062 /nfs/dbraw/zinc/22/60/62/195226062.db2.gz DOGBSSUSHPZHHU-DEOSSOPVSA-N 1 2 474.948 5.722 40 0 JKABLO CCOc1cc([C@@H]2C(C(=O)Nc3ccc(Cl)cc3)=C(C)Nc3[nH+]c4ccccc4n32)ccc1O ZINC000020797562 195226097 /nfs/dbraw/zinc/22/60/97/195226097.db2.gz DOGBSSUSHPZHHU-XMMPIXPASA-N 1 2 474.948 5.722 40 0 JKABLO CCc1ccc(NC(=O)C2=C(C)Nc3[nH+]c4ccccc4n3[C@H]2c2ccc(SC)cc2)cc1 ZINC000020970041 195257387 /nfs/dbraw/zinc/25/73/87/195257387.db2.gz HLXYSBDRMCZEOF-VWLOTQADSA-N 1 2 454.599 6.248 40 0 JKABLO CCc1ccc(NC(=O)C2=C(C)Nc3[nH+]c4ccccc4n3[C@H]2c2cccc(Br)c2)cc1 ZINC000020970110 195257395 /nfs/dbraw/zinc/25/73/95/195257395.db2.gz FDLJEERJZXWOSI-DEOSSOPVSA-N 1 2 487.401 6.289 40 0 JKABLO CCOc1ccc([C@@H]2C(C(=O)Nc3ccc(CC)cc3)=C(C)Nc3[nH+]c4ccccc4n32)cc1 ZINC000020970054 195257466 /nfs/dbraw/zinc/25/74/66/195257466.db2.gz SWGLBWWEKQMCGQ-AREMUKBSSA-N 1 2 452.558 5.925 40 0 JKABLO CC1=C(C(=O)Nc2ccc(F)cc2)[C@@H](c2cccc(Br)c2)n2c3ccccc3[nH+]c2N1 ZINC000020969950 195257473 /nfs/dbraw/zinc/25/74/73/195257473.db2.gz CXFJBYTUFOYTFQ-JOCHJYFZSA-N 1 2 477.337 5.866 40 0 JKABLO CSc1ccc([C@H]2C(C(=O)Nc3cccc(Cl)c3)=C(C)Nc3[nH+]c4ccccc4n32)cc1 ZINC000020970417 195257611 /nfs/dbraw/zinc/25/76/11/195257611.db2.gz YNNOBZPJVYRKNK-QHCPKHFHSA-N 1 2 460.990 6.339 40 0 JKABLO CCc1ccc(NC(=O)C2=C(C)Nc3[nH+]c4ccccc4n3[C@@H]2c2cc(OC)ccc2OC)cc1 ZINC000020970195 195257636 /nfs/dbraw/zinc/25/76/36/195257636.db2.gz CLCXASKMAGHQOC-AREMUKBSSA-N 1 2 468.557 5.544 40 0 JKABLO COc1ccc([C@@H]2C(C(=O)Nc3cccc(Cl)c3)=C(C)Nc3[nH+]c4ccccc4n32)cc1OC ZINC000020970446 195257689 /nfs/dbraw/zinc/25/76/89/195257689.db2.gz CLEQPSNNVDAORG-XMMPIXPASA-N 1 2 474.948 5.635 40 0 JKABLO COc1ccc(NC(=O)C2=C(C)Nc3[nH+]c4ccccc4n3[C@@H]2c2ccc(SC)cc2)cc1 ZINC000020970248 195257744 /nfs/dbraw/zinc/25/77/44/195257744.db2.gz BZZSNRXILHFNCI-XMMPIXPASA-N 1 2 456.571 5.694 40 0 JKABLO COc1ccc([C@H]2C(C(=O)Nc3ccccc3Cl)=C(C)Nc3[nH+]c4ccccc4n32)cc1OC ZINC000021005517 195265753 /nfs/dbraw/zinc/26/57/53/195265753.db2.gz XNOOLEPLJPXNDR-DEOSSOPVSA-N 1 2 474.948 5.635 40 0 JKABLO CCOc1ccccc1NC(=O)C1=C(C)Nc2[nH+]c3ccccc3n2[C@@H]1c1ccc(Cl)cc1 ZINC000021005526 195265842 /nfs/dbraw/zinc/26/58/42/195265842.db2.gz MPCPEISHFGQSAF-XMMPIXPASA-N 1 2 458.949 6.016 40 0 JKABLO CC[N@H+](Cc1ccccc1)[C@@H](c1nnnn1C1CCCCC1)c1cc2cc(C)c(C)cc2[nH]c1=O ZINC000057584880 195351046 /nfs/dbraw/zinc/35/10/46/195351046.db2.gz AXMIBUFBXAGSQB-AREMUKBSSA-N 1 2 470.621 5.248 40 0 JKABLO CC[N@@H+](Cc1ccccc1)[C@@H](c1nnnn1C1CCCCC1)c1cc2cc(C)c(C)cc2[nH]c1=O ZINC000057584880 195351048 /nfs/dbraw/zinc/35/10/48/195351048.db2.gz AXMIBUFBXAGSQB-AREMUKBSSA-N 1 2 470.621 5.248 40 0 JKABLO CC[N@H+](Cc1ccccc1)[C@H](c1nnnn1C1CCCCC1)c1cc2cc(C)c(C)cc2[nH]c1=O ZINC000057584878 195351162 /nfs/dbraw/zinc/35/11/62/195351162.db2.gz AXMIBUFBXAGSQB-SANMLTNESA-N 1 2 470.621 5.248 40 0 JKABLO CC[N@@H+](Cc1ccccc1)[C@H](c1nnnn1C1CCCCC1)c1cc2cc(C)c(C)cc2[nH]c1=O ZINC000057584878 195351165 /nfs/dbraw/zinc/35/11/65/195351165.db2.gz AXMIBUFBXAGSQB-SANMLTNESA-N 1 2 470.621 5.248 40 0 JKABLO Cc1ccc2cc([C@@H](c3nnnn3C3CCCCC3)[N@H+]3CC=C(c4ccc(F)cc4)CC3)c(=O)[nH]c2c1 ZINC000057589613 195351415 /nfs/dbraw/zinc/35/14/15/195351415.db2.gz JFKYPPAYAIFKQR-MHZLTWQESA-N 1 2 498.606 5.346 40 0 JKABLO Cc1ccc2cc([C@@H](c3nnnn3C3CCCCC3)[N@@H+]3CC=C(c4ccc(F)cc4)CC3)c(=O)[nH]c2c1 ZINC000057589613 195351418 /nfs/dbraw/zinc/35/14/18/195351418.db2.gz JFKYPPAYAIFKQR-MHZLTWQESA-N 1 2 498.606 5.346 40 0 JKABLO CCc1ccc2[nH]c(=O)c(C[N@@H+](Cc3ccc(F)cc3)[C@H](CC)c3nnnn3C(C)(C)CC)cc2c1 ZINC000057640574 195354027 /nfs/dbraw/zinc/35/40/27/195354027.db2.gz VZXWPWTYEFPAFA-RUZDIDTESA-N 1 2 490.627 5.515 40 0 JKABLO CCc1ccc2[nH]c(=O)c(C[N@H+](Cc3ccc(F)cc3)[C@H](CC)c3nnnn3C(C)(C)CC)cc2c1 ZINC000057640574 195354030 /nfs/dbraw/zinc/35/40/30/195354030.db2.gz VZXWPWTYEFPAFA-RUZDIDTESA-N 1 2 490.627 5.515 40 0 JKABLO CCc1ccc2[nH]c(=O)c(C[N@@H+](Cc3ccccc3)[C@@H](CC)c3nnnn3C(C)(C)CC)cc2c1 ZINC000057640568 195354287 /nfs/dbraw/zinc/35/42/87/195354287.db2.gz BCFIAWXPOPOCFH-VWLOTQADSA-N 1 2 472.637 5.376 40 0 JKABLO CCc1ccc2[nH]c(=O)c(C[N@H+](Cc3ccccc3)[C@@H](CC)c3nnnn3C(C)(C)CC)cc2c1 ZINC000057640568 195354288 /nfs/dbraw/zinc/35/42/88/195354288.db2.gz BCFIAWXPOPOCFH-VWLOTQADSA-N 1 2 472.637 5.376 40 0 JKABLO CC[C@H](c1nnnn1C1CCCC1)[N@H+](Cc1ccc(C)cc1)Cc1cc2ccc(OC)cc2[nH]c1=O ZINC000057641203 195355095 /nfs/dbraw/zinc/35/50/95/195355095.db2.gz HVMXKJKYFJTDJF-AREMUKBSSA-N 1 2 486.620 5.100 40 0 JKABLO CC[C@H](c1nnnn1C1CCCC1)[N@@H+](Cc1ccc(C)cc1)Cc1cc2ccc(OC)cc2[nH]c1=O ZINC000057641203 195355098 /nfs/dbraw/zinc/35/50/98/195355098.db2.gz HVMXKJKYFJTDJF-AREMUKBSSA-N 1 2 486.620 5.100 40 0 JKABLO CC[C@@H](c1nnnn1C(C)(C)CC)[N@H+](Cc1ccc(C)cc1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000057641533 195355364 /nfs/dbraw/zinc/35/53/64/195355364.db2.gz ZSUCWUCRAWPLQF-SANMLTNESA-N 1 2 486.664 5.738 40 0 JKABLO CC[C@@H](c1nnnn1C(C)(C)CC)[N@@H+](Cc1ccc(C)cc1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000057641533 195355365 /nfs/dbraw/zinc/35/53/65/195355365.db2.gz ZSUCWUCRAWPLQF-SANMLTNESA-N 1 2 486.664 5.738 40 0 JKABLO CC[C@H](c1nnnn1C1CCCC1)[N@H+](Cc1ccc(C)cc1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000057641553 195355399 /nfs/dbraw/zinc/35/53/99/195355399.db2.gz FZJRHJABMWLOSF-HHHXNRCGSA-N 1 2 484.648 5.708 40 0 JKABLO CC[C@H](c1nnnn1C1CCCC1)[N@@H+](Cc1ccc(C)cc1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000057641553 195355403 /nfs/dbraw/zinc/35/54/03/195355403.db2.gz FZJRHJABMWLOSF-HHHXNRCGSA-N 1 2 484.648 5.708 40 0 JKABLO CC[C@H](c1nnnn1C1CCCCC1)[N@H+](Cc1ccc(C)cc1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000057641557 195355640 /nfs/dbraw/zinc/35/56/40/195355640.db2.gz GHBALCAXRFTHTP-MUUNZHRXSA-N 1 2 498.675 6.099 40 0 JKABLO CC[C@H](c1nnnn1C1CCCCC1)[N@@H+](Cc1ccc(C)cc1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000057641557 195355641 /nfs/dbraw/zinc/35/56/41/195355641.db2.gz GHBALCAXRFTHTP-MUUNZHRXSA-N 1 2 498.675 6.099 40 0 JKABLO CC[C@@H](c1nnnn1C(C)(C)CC)[N@H+](Cc1ccccc1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000057641648 195355770 /nfs/dbraw/zinc/35/57/70/195355770.db2.gz DUSNOCWTFZCGRB-VWLOTQADSA-N 1 2 472.637 5.430 40 0 JKABLO CC[C@@H](c1nnnn1C(C)(C)CC)[N@@H+](Cc1ccccc1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000057641648 195355773 /nfs/dbraw/zinc/35/57/73/195355773.db2.gz DUSNOCWTFZCGRB-VWLOTQADSA-N 1 2 472.637 5.430 40 0 JKABLO CC[C@@H](c1nnnn1C1CCCCC1)[N@H+](Cc1ccccc1)Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000057642007 195355861 /nfs/dbraw/zinc/35/58/61/195355861.db2.gz QPAAJYNHUVGIJB-SANMLTNESA-N 1 2 484.648 5.790 40 0 JKABLO CC[C@@H](c1nnnn1C1CCCCC1)[N@@H+](Cc1ccccc1)Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000057642007 195355863 /nfs/dbraw/zinc/35/58/63/195355863.db2.gz QPAAJYNHUVGIJB-SANMLTNESA-N 1 2 484.648 5.790 40 0 JKABLO CC[C@@H](c1nnnn1C1CCCC1)[N@H+](Cc1ccccc1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000057641681 195355888 /nfs/dbraw/zinc/35/58/88/195355888.db2.gz CMWPBUMZFNMBGS-SANMLTNESA-N 1 2 470.621 5.400 40 0 JKABLO CC[C@@H](c1nnnn1C1CCCC1)[N@@H+](Cc1ccccc1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000057641681 195355891 /nfs/dbraw/zinc/35/58/91/195355891.db2.gz CMWPBUMZFNMBGS-SANMLTNESA-N 1 2 470.621 5.400 40 0 JKABLO CC[C@H](c1nnnn1C1CCCCC1)[N@H+](Cc1ccc(C)cc1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000057641865 195356100 /nfs/dbraw/zinc/35/61/00/195356100.db2.gz QBDFALKBHAJNML-MUUNZHRXSA-N 1 2 498.675 6.099 40 0 JKABLO CC[C@H](c1nnnn1C1CCCCC1)[N@@H+](Cc1ccc(C)cc1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000057641865 195356101 /nfs/dbraw/zinc/35/61/01/195356101.db2.gz QBDFALKBHAJNML-MUUNZHRXSA-N 1 2 498.675 6.099 40 0 JKABLO CC[C@@H](c1nnnn1C(C)(C)CC)[N@H+](Cc1ccc(C)cc1)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000057642324 195356240 /nfs/dbraw/zinc/35/62/40/195356240.db2.gz STVDIPDOSWLJIK-VWLOTQADSA-N 1 2 486.664 5.738 40 0 JKABLO CC[C@@H](c1nnnn1C(C)(C)CC)[N@@H+](Cc1ccc(C)cc1)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000057642324 195356243 /nfs/dbraw/zinc/35/62/43/195356243.db2.gz STVDIPDOSWLJIK-VWLOTQADSA-N 1 2 486.664 5.738 40 0 JKABLO CC[C@H](c1nnnn1Cc1ccccc1)[N@H+](Cc1ccccc1)Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000057642072 195356392 /nfs/dbraw/zinc/35/63/92/195356392.db2.gz ZPNYRLRAOXTBPI-HHHXNRCGSA-N 1 2 492.627 5.333 40 0 JKABLO CC[C@H](c1nnnn1Cc1ccccc1)[N@@H+](Cc1ccccc1)Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000057642072 195356395 /nfs/dbraw/zinc/35/63/95/195356395.db2.gz ZPNYRLRAOXTBPI-HHHXNRCGSA-N 1 2 492.627 5.333 40 0 JKABLO CC[C@H](c1nnnn1C(C)(C)CC)[N@H+](Cc1ccccc1)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000057642151 195356454 /nfs/dbraw/zinc/35/64/54/195356454.db2.gz BGIRJBYQOKILQQ-XMMPIXPASA-N 1 2 472.637 5.430 40 0 JKABLO CC[C@H](c1nnnn1C(C)(C)CC)[N@@H+](Cc1ccccc1)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000057642151 195356456 /nfs/dbraw/zinc/35/64/56/195356456.db2.gz BGIRJBYQOKILQQ-XMMPIXPASA-N 1 2 472.637 5.430 40 0 JKABLO O=C(C[NH+]1CCN(c2nc(-c3ccc(F)cc3)cs2)CC1)N(C1CCCCC1)C1CCCCC1 ZINC000057688537 195357369 /nfs/dbraw/zinc/35/73/69/195357369.db2.gz ZPXJHHVTLNRPLO-UHFFFAOYSA-N 1 2 484.685 5.565 40 0 JKABLO O=C(C[NH+]1CCC(NC(=O)c2cccc(F)c2)CC1)N1c2ccccc2Sc2ccc(Cl)cc21 ZINC000057681251 195357446 /nfs/dbraw/zinc/35/74/46/195357446.db2.gz OFSCRVTZCCRVKX-UHFFFAOYSA-N 1 2 496.007 5.503 40 0 JKABLO CCOC(=O)[C@@H]1CCC[N@@H+](c2ccc(NCc3cc4cc(C(C)(C)C)ccc4[nH]c3=O)cc2)C1 ZINC000057718127 195358132 /nfs/dbraw/zinc/35/81/32/195358132.db2.gz CGNAWAYLAYSBBT-LJQANCHMSA-N 1 2 461.606 5.217 40 0 JKABLO CCOC(=O)[C@@H]1CCC[N@H+](c2ccc(NCc3cc4cc(C(C)(C)C)ccc4[nH]c3=O)cc2)C1 ZINC000057718127 195358134 /nfs/dbraw/zinc/35/81/34/195358134.db2.gz CGNAWAYLAYSBBT-LJQANCHMSA-N 1 2 461.606 5.217 40 0 JKABLO Cc1ccc(C(=O)Nc2ccc(N3CC[NH+](Cc4ccccc4Cl)CC3)c(Cl)c2)c(C)c1 ZINC000059144120 195393149 /nfs/dbraw/zinc/39/31/49/195393149.db2.gz XODUZTDEFYJYPG-UHFFFAOYSA-N 1 2 468.428 6.185 40 0 JKABLO O=C(Nc1ccc(N2CC[NH+](Cc3ccccc3Cl)CC2)c(Cl)c1)c1ccc2c(c1)OCO2 ZINC000059193268 195394104 /nfs/dbraw/zinc/39/41/04/195394104.db2.gz WPHVXPTYTQJWFC-UHFFFAOYSA-N 1 2 484.383 5.297 40 0 JKABLO Cc1cc(NC(=O)c2ccc(C[NH+]3CCN(Cc4ccccc4)CC3)cc2)ccc1Br ZINC000059401658 195398868 /nfs/dbraw/zinc/39/88/68/195398868.db2.gz WMQIQHPZNHXNGM-UHFFFAOYSA-N 1 2 478.434 5.328 40 0 JKABLO CC(C)(C)c1ccc(C(=O)c2cccc(NC(=O)c3ccc(C[NH+]4CCOCC4)cc3)c2)cc1 ZINC000044938931 519023695 /nfs/dbraw/zinc/02/36/95/519023695.db2.gz VGGATANYVONDNN-UHFFFAOYSA-N 1 2 456.586 5.300 40 0 JKABLO Cc1cn(-c2cc(NC(=O)c3ccc(C)c(I)c3)cc(C(F)(F)F)c2)c[nH+]1 ZINC000065743071 525897957 /nfs/dbraw/zinc/89/79/57/525897957.db2.gz WDDHGZLDAZNYLH-UHFFFAOYSA-N 1 2 485.247 5.365 40 0 in-vitro JKABLO O=C(CN(c1ccc(Br)cc1)C1=[NH+]CCCCC1)c1ccc(-c2ccccc2)cc1 ZINC000016768885 526702735 /nfs/dbraw/zinc/70/27/35/526702735.db2.gz NMXJBTCOJSKIGH-UHFFFAOYSA-N 1 2 461.403 6.778 40 0 JKABLO O=C(CN(c1cccc(C(F)(F)F)c1)C1=[NH+]CCCCC1)c1ccc(Br)cc1 ZINC000016768853 526703375 /nfs/dbraw/zinc/70/33/75/526703375.db2.gz XQPMUIQARQAGDH-UHFFFAOYSA-N 1 2 453.302 6.130 40 0 JKABLO Cc1[nH]c2ccccc2c1C(=O)C(=O)Nc1c[nH+]c(C)n1-c1nc(-c2ccc(Cl)cc2)cs1 ZINC000041124370 527291823 /nfs/dbraw/zinc/29/18/23/527291823.db2.gz LRSPSLSFCFXRGP-UHFFFAOYSA-N 1 2 475.961 5.569 40 0 JKABLO Cc1ccc(C(=O)CSc2nnc(CCc3[nH]c4ccccc4[nH+]3)n2-c2ccccc2)cc1 ZINC000000924638 553859908 /nfs/dbraw/zinc/85/99/08/553859908.db2.gz BYJJPOIVNSKTNU-UHFFFAOYSA-N 1 2 453.571 5.212 40 0 JKABLO O=C(CSc1nnc(CCc2[nH]c3ccccc3[nH+]2)n1-c1ccccc1)Nc1ccccc1Cl ZINC000000924630 553859921 /nfs/dbraw/zinc/85/99/21/553859921.db2.gz QBVISDNVJNVOGN-UHFFFAOYSA-N 1 2 489.004 5.313 40 0 JKABLO CCOc1ccc(NC(=O)CSc2nnc(CCc3[nH]c4ccccc4[nH+]3)n2-c2ccccc2)cc1 ZINC000000924631 553859939 /nfs/dbraw/zinc/85/99/39/553859939.db2.gz OCEPNYZBFZRJJD-UHFFFAOYSA-N 1 2 498.612 5.058 40 0 JKABLO Cc1ccccc1-n1ncc2c1nc[nH+]c2SCC(=O)N(C)c1nc(-c2ccccc2)cs1 ZINC000001346336 553955457 /nfs/dbraw/zinc/95/54/57/553955457.db2.gz QJYLEKCCMYZRGN-UHFFFAOYSA-N 1 2 472.599 5.003 40 0 JKABLO COc1ccc(-n2ncc3c2nc[nH+]c3SCC(=O)Nc2ccccc2-c2ccccc2)cc1 ZINC000001346610 553955863 /nfs/dbraw/zinc/95/58/63/553955863.db2.gz CYLCBJXGEMSKRD-UHFFFAOYSA-N 1 2 467.554 5.222 40 0 JKABLO O=C(CSc1[nH+]cnc2c1cnn2-c1ccc(Cl)cc1)Nc1nc(-c2ccccc2)cs1 ZINC000001346700 553955872 /nfs/dbraw/zinc/95/58/72/553955872.db2.gz QLCCJHYMZQGHFD-UHFFFAOYSA-N 1 2 478.990 5.323 40 0 JKABLO O=C(C[NH+]1CCC(c2nc3ccc(Cl)cc3[nH]2)CC1)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000001359109 553957985 /nfs/dbraw/zinc/95/79/85/553957985.db2.gz TWRQDZXFFLQXGI-UHFFFAOYSA-N 1 2 471.310 5.707 40 0 JKABLO CCn1c2ccccc2[nH+]c1N1CCN(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC000001370939 553960744 /nfs/dbraw/zinc/96/07/44/553960744.db2.gz KEPYUXCJZBWIQI-UHFFFAOYSA-N 1 2 451.880 5.083 40 0 JKABLO CCc1ccc2[nH]c(=O)c(C[N@@H+](Cc3ccc(C)cc3)[C@@H](CC)c3nnnn3Cc3ccco3)cc2c1 ZINC000001374052 553962661 /nfs/dbraw/zinc/96/26/61/553962661.db2.gz YHOZGPXAUJWDPP-MHZLTWQESA-N 1 2 496.615 5.180 40 0 JKABLO CCc1ccc2[nH]c(=O)c(C[N@H+](Cc3ccc(C)cc3)[C@@H](CC)c3nnnn3Cc3ccco3)cc2c1 ZINC000001374052 553962663 /nfs/dbraw/zinc/96/26/63/553962663.db2.gz YHOZGPXAUJWDPP-MHZLTWQESA-N 1 2 496.615 5.180 40 0 JKABLO CC[C@@H](c1nnnn1CCc1ccccc1)[N@H+](Cc1ccccc1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000001374328 553962705 /nfs/dbraw/zinc/96/27/05/553962705.db2.gz UBZOBGRUBKIYND-NDEPHWFRSA-N 1 2 492.627 5.219 40 0 JKABLO CC[C@@H](c1nnnn1CCc1ccccc1)[N@@H+](Cc1ccccc1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000001374328 553962706 /nfs/dbraw/zinc/96/27/06/553962706.db2.gz UBZOBGRUBKIYND-NDEPHWFRSA-N 1 2 492.627 5.219 40 0 JKABLO CC[C@@H](c1nnnn1C(C)(C)CC)[N@H+](Cc1cccs1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000001375238 553963181 /nfs/dbraw/zinc/96/31/81/553963181.db2.gz WARLSYMXZYXNBC-QHCPKHFHSA-N 1 2 478.666 5.492 40 0 JKABLO CC[C@@H](c1nnnn1C(C)(C)CC)[N@@H+](Cc1cccs1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000001375238 553963182 /nfs/dbraw/zinc/96/31/82/553963182.db2.gz WARLSYMXZYXNBC-QHCPKHFHSA-N 1 2 478.666 5.492 40 0 JKABLO CC[C@H](c1nnnn1C(C)(C)CC)[N@H+](Cc1cccs1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000001375239 553963463 /nfs/dbraw/zinc/96/34/63/553963463.db2.gz WARLSYMXZYXNBC-HSZRJFAPSA-N 1 2 478.666 5.492 40 0 JKABLO CC[C@H](c1nnnn1C(C)(C)CC)[N@@H+](Cc1cccs1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000001375239 553963468 /nfs/dbraw/zinc/96/34/68/553963468.db2.gz WARLSYMXZYXNBC-HSZRJFAPSA-N 1 2 478.666 5.492 40 0 JKABLO CC1(C)[NH+]=c2cc3c(cc2N1c1ccc(Cl)cc1)=Nc1ccccc1N3c1ccc(Cl)cc1 ZINC000001608429 553980492 /nfs/dbraw/zinc/98/04/92/553980492.db2.gz HFSRYMCNSIJDJB-UHFFFAOYSA-N 1 2 471.391 7.235 40 0 JKABLO Fc1ccc2c(c1)C1=C([C@H](c3ccc(Cl)cc3Cl)O2)[C@@H](c2ccccc2)N2NC=NC2=[NH+]1 ZINC000003073009 554425420 /nfs/dbraw/zinc/42/54/20/554425420.db2.gz RJRSVCMVAQMCKK-PKTZIBPZSA-N 1 2 465.315 5.937 40 0 JKABLO Cc1ccc2[nH]c(=O)c([C@H](c3nnnn3C3CCCCC3)[NH+]3CCC(Cc4ccccc4)CC3)cc2c1 ZINC000006409095 554534668 /nfs/dbraw/zinc/53/46/68/554534668.db2.gz HXXRYWGVWSGJHT-MUUNZHRXSA-N 1 2 496.659 5.372 40 0 JKABLO Cc1ccc(C)c2[nH]c(=O)c([C@@H](c3nnnn3C(C)(C)C)[N@H+]3CC=C(c4ccc(F)cc4)CC3)cc12 ZINC000008829034 554719477 /nfs/dbraw/zinc/71/94/77/554719477.db2.gz HGIYRZXALMDXGX-VWLOTQADSA-N 1 2 486.595 5.317 40 0 aggregator JKABLO Cc1ccc(C)c2[nH]c(=O)c([C@@H](c3nnnn3C(C)(C)C)[N@@H+]3CC=C(c4ccc(F)cc4)CC3)cc12 ZINC000008829034 554719480 /nfs/dbraw/zinc/71/94/80/554719480.db2.gz HGIYRZXALMDXGX-VWLOTQADSA-N 1 2 486.595 5.317 40 0 aggregator JKABLO CCCCCC(=O)NC(=S)Nc1cc2nn(-c3ccc([NH+](CC)CC)cc3C)nc2cc1C ZINC000008831226 554721624 /nfs/dbraw/zinc/72/16/24/554721624.db2.gz OBSHEDXBFCGURQ-UHFFFAOYSA-N 1 2 466.655 5.277 40 0 JKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=O)COc4cc(C)cc(C)c4)cc3n2)c(C)c1 ZINC000008832206 554725648 /nfs/dbraw/zinc/72/56/48/554725648.db2.gz ACPPGQZCEVAQRA-UHFFFAOYSA-N 1 2 471.605 5.518 40 0 JKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=O)c4cccc5ccccc54)cc3n2)c(C)c1 ZINC000008832212 554725746 /nfs/dbraw/zinc/72/57/46/554725746.db2.gz ZEZSWKWDIFXSEU-UHFFFAOYSA-N 1 2 463.585 6.289 40 0 JKABLO Cc1cccn2cc(-c3cccc(NC(=O)c4cc5cc(Br)ccc5oc4=O)c3)[nH+]c12 ZINC000008835097 554733324 /nfs/dbraw/zinc/73/33/24/554733324.db2.gz IURHRUHGLMBRRZ-UHFFFAOYSA-N 1 2 474.314 5.431 40 0 JKABLO CC[C@@H](C)c1ccc(OCC(=O)Nc2cc3nn(-c4ccc([NH+](CC)CC)cc4)nc3cc2C)cc1 ZINC000008900373 554792521 /nfs/dbraw/zinc/79/25/21/554792521.db2.gz DXGWYNAVSZFCBC-HXUWFJFHSA-N 1 2 485.632 6.106 40 0 JKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=O)c4cc(Cl)ccc4Cl)cc3n2)c(C)c1 ZINC000008900409 554792597 /nfs/dbraw/zinc/79/25/97/554792597.db2.gz UWOPDMJLRAVQHJ-UHFFFAOYSA-N 1 2 482.415 6.443 40 0 JKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(OC)c(Cl)c4)cc3n2)c(C)c1 ZINC000008900428 554792916 /nfs/dbraw/zinc/79/29/16/554792916.db2.gz UKUZTQWTLAFOTO-UHFFFAOYSA-N 1 2 477.996 5.798 40 0 JKABLO COc1ccc([C@H]2[C@H]3CCCC[C@]3(O)CC[N@@H+]2CC(=O)Nc2ccc(Cl)cc2Cl)cc1 ZINC000009158792 554948596 /nfs/dbraw/zinc/94/85/96/554948596.db2.gz VVNRXHLRZKJTDX-YGOYIFOWSA-N 1 2 463.405 5.309 40 0 JKABLO COc1ccc([C@H]2[C@H]3CCCC[C@]3(O)CC[N@H+]2CC(=O)Nc2ccc(Cl)cc2Cl)cc1 ZINC000009158792 554948597 /nfs/dbraw/zinc/94/85/97/554948597.db2.gz VVNRXHLRZKJTDX-YGOYIFOWSA-N 1 2 463.405 5.309 40 0 JKABLO CCOc1cc([C@H]2[C@H]3CCCC[C@]3(O)CC[N@@H+]2CC(=O)Nc2ccc(Cl)cc2Cl)ccc1O ZINC000009409934 555175459 /nfs/dbraw/zinc/17/54/59/555175459.db2.gz ZKTHAUVEDZILFI-YWWLGCSWSA-N 1 2 493.431 5.405 40 0 JKABLO CCOc1cc([C@H]2[C@H]3CCCC[C@]3(O)CC[N@H+]2CC(=O)Nc2ccc(Cl)cc2Cl)ccc1O ZINC000009409934 555175461 /nfs/dbraw/zinc/17/54/61/555175461.db2.gz ZKTHAUVEDZILFI-YWWLGCSWSA-N 1 2 493.431 5.405 40 0 JKABLO Clc1ccc([C@@]2(Cn3cc[nH+]c3)OC[C@@H](COc3ccc(-c4ccccc4)cc3)O2)c(Cl)c1 ZINC000013207500 555369547 /nfs/dbraw/zinc/36/95/47/555369547.db2.gz GNZHVEIGGFMLSP-BVAGGSTKSA-N 1 2 481.379 6.204 40 0 in-man JKABLO CC[C@@H](c1nnnn1C(C)(C)CC)[N@H+](Cc1ccc(C)cc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013494749 555406101 /nfs/dbraw/zinc/40/61/01/555406101.db2.gz MJXPALPUGXASAU-DEOSSOPVSA-N 1 2 472.637 5.430 40 0 JKABLO CC[C@@H](c1nnnn1C(C)(C)CC)[N@@H+](Cc1ccc(C)cc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013494749 555406102 /nfs/dbraw/zinc/40/61/02/555406102.db2.gz MJXPALPUGXASAU-DEOSSOPVSA-N 1 2 472.637 5.430 40 0 JKABLO CC[C@H](c1nnnn1C(C)(C)CC)[N@H+](Cc1ccc(C)cc1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013494815 555406545 /nfs/dbraw/zinc/40/65/45/555406545.db2.gz LQOUQFZIJUCOEO-RUZDIDTESA-N 1 2 486.664 5.738 40 0 JKABLO CC[C@H](c1nnnn1C(C)(C)CC)[N@@H+](Cc1ccc(C)cc1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013494815 555406546 /nfs/dbraw/zinc/40/65/46/555406546.db2.gz LQOUQFZIJUCOEO-RUZDIDTESA-N 1 2 486.664 5.738 40 0 JKABLO CC[C@@H](c1nnnn1Cc1ccccc1)[N@H+](Cc1ccc(F)cc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013494957 555406765 /nfs/dbraw/zinc/40/67/65/555406765.db2.gz HJEACZYHXYABNY-SANMLTNESA-N 1 2 496.590 5.164 40 0 JKABLO CC[C@@H](c1nnnn1Cc1ccccc1)[N@@H+](Cc1ccc(F)cc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013494957 555406768 /nfs/dbraw/zinc/40/67/68/555406768.db2.gz HJEACZYHXYABNY-SANMLTNESA-N 1 2 496.590 5.164 40 0 JKABLO CC[C@@H](c1nnnn1C1CCCCC1)[N@H+](Cc1ccc(F)cc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013494953 555406827 /nfs/dbraw/zinc/40/68/27/555406827.db2.gz WWOIBGVCTZVNCS-VWLOTQADSA-N 1 2 488.611 5.621 40 0 JKABLO CC[C@@H](c1nnnn1C1CCCCC1)[N@@H+](Cc1ccc(F)cc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013494953 555406829 /nfs/dbraw/zinc/40/68/29/555406829.db2.gz WWOIBGVCTZVNCS-VWLOTQADSA-N 1 2 488.611 5.621 40 0 JKABLO CC[C@H](c1nnnn1C1CCCC1)[N@H+](Cc1ccc(OC)cc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013495104 555407315 /nfs/dbraw/zinc/40/73/15/555407315.db2.gz AMFOKEGCFTYUSO-RUZDIDTESA-N 1 2 486.620 5.100 40 0 JKABLO CC[C@H](c1nnnn1C1CCCC1)[N@@H+](Cc1ccc(OC)cc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013495104 555407317 /nfs/dbraw/zinc/40/73/17/555407317.db2.gz AMFOKEGCFTYUSO-RUZDIDTESA-N 1 2 486.620 5.100 40 0 JKABLO CC[C@H](c1nnnn1C(C)(C)CC)[N@H+](Cc1cccs1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013495752 555409201 /nfs/dbraw/zinc/40/92/01/555409201.db2.gz UMZOATOEENTNQI-JOCHJYFZSA-N 1 2 464.639 5.183 40 0 JKABLO CC[C@H](c1nnnn1C(C)(C)CC)[N@@H+](Cc1cccs1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013495752 555409203 /nfs/dbraw/zinc/40/92/03/555409203.db2.gz UMZOATOEENTNQI-JOCHJYFZSA-N 1 2 464.639 5.183 40 0 JKABLO CCOc1ccc2[nH]c(=O)c(C[N@H+](Cc3cccs3)[C@@H](CC)c3nnnn3C3CCCC3)cc2c1 ZINC000013495782 555409221 /nfs/dbraw/zinc/40/92/21/555409221.db2.gz BJHSYOMRTSHQSO-DEOSSOPVSA-N 1 2 492.649 5.243 40 0 JKABLO CCOc1ccc2[nH]c(=O)c(C[N@@H+](Cc3cccs3)[C@@H](CC)c3nnnn3C3CCCC3)cc2c1 ZINC000013495782 555409222 /nfs/dbraw/zinc/40/92/22/555409222.db2.gz BJHSYOMRTSHQSO-DEOSSOPVSA-N 1 2 492.649 5.243 40 0 JKABLO CC[C@@H](c1nnnn1C1CCCCC1)[N@H+](Cc1cccs1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013495775 555409233 /nfs/dbraw/zinc/40/92/33/555409233.db2.gz HPFJUMAPFOCBKK-DEOSSOPVSA-N 1 2 490.677 5.852 40 0 JKABLO CC[C@@H](c1nnnn1C1CCCCC1)[N@@H+](Cc1cccs1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013495775 555409234 /nfs/dbraw/zinc/40/92/34/555409234.db2.gz HPFJUMAPFOCBKK-DEOSSOPVSA-N 1 2 490.677 5.852 40 0 JKABLO CC[C@H](c1nnnn1C1CCCCC1)[N@H+](Cc1cccs1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013495755 555409242 /nfs/dbraw/zinc/40/92/42/555409242.db2.gz NVNNCWIUNJTJGC-XMMPIXPASA-N 1 2 476.650 5.543 40 0 JKABLO CC[C@H](c1nnnn1C1CCCCC1)[N@@H+](Cc1cccs1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013495755 555409243 /nfs/dbraw/zinc/40/92/43/555409243.db2.gz NVNNCWIUNJTJGC-XMMPIXPASA-N 1 2 476.650 5.543 40 0 JKABLO Cc1ccc2cc(C[N@@H+](Cc3ccccc3)[C@H](c3nnnn3Cc3ccccc3)C(C)C)c(=O)[nH]c2c1 ZINC000013498543 555421576 /nfs/dbraw/zinc/42/15/76/555421576.db2.gz KWRKJZOZWOCHBD-NDEPHWFRSA-N 1 2 492.627 5.271 40 0 JKABLO Cc1ccc2cc(C[N@H+](Cc3ccccc3)[C@H](c3nnnn3Cc3ccccc3)C(C)C)c(=O)[nH]c2c1 ZINC000013498543 555421579 /nfs/dbraw/zinc/42/15/79/555421579.db2.gz KWRKJZOZWOCHBD-NDEPHWFRSA-N 1 2 492.627 5.271 40 0 JKABLO Cc1ccc(C[N@H+](Cc2cc3ccc(C)cc3[nH]c2=O)[C@H](c2nnnn2C2CCCC2)C(C)C)cc1 ZINC000013498564 555422114 /nfs/dbraw/zinc/42/21/14/555422114.db2.gz IIPAUXUWFXYWRS-MHZLTWQESA-N 1 2 484.648 5.646 40 0 JKABLO Cc1ccc(C[N@@H+](Cc2cc3ccc(C)cc3[nH]c2=O)[C@H](c2nnnn2C2CCCC2)C(C)C)cc1 ZINC000013498564 555422117 /nfs/dbraw/zinc/42/21/17/555422117.db2.gz IIPAUXUWFXYWRS-MHZLTWQESA-N 1 2 484.648 5.646 40 0 JKABLO Cc1ccc(C[N@H+](Cc2cc3ccc(C)cc3[nH]c2=O)[C@@H](c2nnnn2C(C)(C)C)C(C)C)cc1 ZINC000013498560 555422228 /nfs/dbraw/zinc/42/22/28/555422228.db2.gz OUPKGCASZVALGV-RUZDIDTESA-N 1 2 472.637 5.286 40 0 JKABLO Cc1ccc(C[N@@H+](Cc2cc3ccc(C)cc3[nH]c2=O)[C@@H](c2nnnn2C(C)(C)C)C(C)C)cc1 ZINC000013498560 555422231 /nfs/dbraw/zinc/42/22/31/555422231.db2.gz OUPKGCASZVALGV-RUZDIDTESA-N 1 2 472.637 5.286 40 0 JKABLO CCC(C)(C)n1nnnc1[C@H](C(C)C)[N@H+](Cc1cccs1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000013498620 555422879 /nfs/dbraw/zinc/42/28/79/555422879.db2.gz AHODSEWCAISFHW-QHCPKHFHSA-N 1 2 494.665 5.129 40 0 JKABLO CCC(C)(C)n1nnnc1[C@H](C(C)C)[N@@H+](Cc1cccs1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000013498620 555422883 /nfs/dbraw/zinc/42/28/83/555422883.db2.gz AHODSEWCAISFHW-QHCPKHFHSA-N 1 2 494.665 5.129 40 0 JKABLO COc1ccc2[nH]c(=O)c(C[N@H+](Cc3ccccc3)[C@@H](c3nnnn3C3CCCC3)C(C)C)cc2c1 ZINC000013498626 555423017 /nfs/dbraw/zinc/42/30/17/555423017.db2.gz JLHKLVKJZJZPAI-AREMUKBSSA-N 1 2 486.620 5.038 40 0 JKABLO COc1ccc2[nH]c(=O)c(C[N@@H+](Cc3ccccc3)[C@@H](c3nnnn3C3CCCC3)C(C)C)cc2c1 ZINC000013498626 555423019 /nfs/dbraw/zinc/42/30/19/555423019.db2.gz JLHKLVKJZJZPAI-AREMUKBSSA-N 1 2 486.620 5.038 40 0 JKABLO Cc1cc2cc(C[N@@H+](Cc3cccnc3)[C@@H](c3nnnn3C3CCCCC3)C(C)C)c(=O)[nH]c2cc1C ZINC000013498886 555426045 /nfs/dbraw/zinc/42/60/45/555426045.db2.gz WLPCZTZZEJUVNP-HHHXNRCGSA-N 1 2 499.663 5.431 40 0 JKABLO Cc1cc2cc(C[N@H+](Cc3cccnc3)[C@@H](c3nnnn3C3CCCCC3)C(C)C)c(=O)[nH]c2cc1C ZINC000013498886 555426046 /nfs/dbraw/zinc/42/60/46/555426046.db2.gz WLPCZTZZEJUVNP-HHHXNRCGSA-N 1 2 499.663 5.431 40 0 JKABLO CCC(C)(C)n1nnnc1[C@@H](C(C)C)[N@H+](Cc1cccs1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000013499014 555427133 /nfs/dbraw/zinc/42/71/33/555427133.db2.gz PQCRETJBEXPCNN-XMMPIXPASA-N 1 2 492.693 5.738 40 0 JKABLO CCC(C)(C)n1nnnc1[C@@H](C(C)C)[N@@H+](Cc1cccs1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000013499014 555427136 /nfs/dbraw/zinc/42/71/36/555427136.db2.gz PQCRETJBEXPCNN-XMMPIXPASA-N 1 2 492.693 5.738 40 0 JKABLO Cc1cc(C)c2cc(C[N@@H+](Cc3ccco3)[C@@H](c3nnnn3C3CCCC3)C(C)C)c(=O)[nH]c2c1 ZINC000013499024 555427149 /nfs/dbraw/zinc/42/71/49/555427149.db2.gz VANKUEGBLASGQC-RUZDIDTESA-N 1 2 474.609 5.239 40 0 JKABLO Cc1cc(C)c2cc(C[N@H+](Cc3ccco3)[C@@H](c3nnnn3C3CCCC3)C(C)C)c(=O)[nH]c2c1 ZINC000013499024 555427151 /nfs/dbraw/zinc/42/71/51/555427151.db2.gz VANKUEGBLASGQC-RUZDIDTESA-N 1 2 474.609 5.239 40 0 JKABLO CCC(C)(C)n1nnnc1[C@@H](C(C)C)[N@H+](Cc1ccccc1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000013499006 555427193 /nfs/dbraw/zinc/42/71/93/555427193.db2.gz WBCQXMVFPHUXHN-AREMUKBSSA-N 1 2 486.664 5.676 40 0 JKABLO CCC(C)(C)n1nnnc1[C@@H](C(C)C)[N@@H+](Cc1ccccc1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000013499006 555427196 /nfs/dbraw/zinc/42/71/96/555427196.db2.gz WBCQXMVFPHUXHN-AREMUKBSSA-N 1 2 486.664 5.676 40 0 JKABLO Cc1cc(C)c2cc(C[N@@H+](Cc3cccs3)[C@H](c3nnnn3C(C)(C)C)C(C)C)c(=O)[nH]c2c1 ZINC000013499003 555427237 /nfs/dbraw/zinc/42/72/37/555427237.db2.gz WPNDODNNGMAGKH-QHCPKHFHSA-N 1 2 478.666 5.347 40 0 JKABLO Cc1cc(C)c2cc(C[N@H+](Cc3cccs3)[C@H](c3nnnn3C(C)(C)C)C(C)C)c(=O)[nH]c2c1 ZINC000013499003 555427240 /nfs/dbraw/zinc/42/72/40/555427240.db2.gz WPNDODNNGMAGKH-QHCPKHFHSA-N 1 2 478.666 5.347 40 0 JKABLO Cc1ccc(C)c2[nH]c(=O)c(C[N@@H+](Cc3ccc(F)cc3)[C@H](c3nnnn3C(C)(C)C)C(C)C)cc12 ZINC000013499167 555428816 /nfs/dbraw/zinc/42/88/16/555428816.db2.gz WNVSYDFQMAJPJJ-VWLOTQADSA-N 1 2 490.627 5.425 40 0 JKABLO Cc1ccc(C)c2[nH]c(=O)c(C[N@H+](Cc3ccc(F)cc3)[C@H](c3nnnn3C(C)(C)C)C(C)C)cc12 ZINC000013499167 555428818 /nfs/dbraw/zinc/42/88/18/555428818.db2.gz WNVSYDFQMAJPJJ-VWLOTQADSA-N 1 2 490.627 5.425 40 0 JKABLO Cc1ccc(C)c2[nH]c(=O)c(C[N@@H+](Cc3ccco3)[C@@H](c3nnnn3Cc3ccccc3)C(C)C)cc12 ZINC000013499182 555429008 /nfs/dbraw/zinc/42/90/08/555429008.db2.gz ISWZPHNIJDJHPY-HHHXNRCGSA-N 1 2 496.615 5.172 40 0 JKABLO Cc1ccc(C)c2[nH]c(=O)c(C[N@H+](Cc3ccco3)[C@@H](c3nnnn3Cc3ccccc3)C(C)C)cc12 ZINC000013499182 555429012 /nfs/dbraw/zinc/42/90/12/555429012.db2.gz ISWZPHNIJDJHPY-HHHXNRCGSA-N 1 2 496.615 5.172 40 0 JKABLO CCC[C@H](c1nnnn1C1CCCCC1)[N@H+](Cc1ccccc1)Cc1cc2cc(CC)ccc2[nH]c1=O ZINC000013499245 555429691 /nfs/dbraw/zinc/42/96/91/555429691.db2.gz RIDVFOKYGQQVAU-MUUNZHRXSA-N 1 2 498.675 6.126 40 0 JKABLO CCC[C@H](c1nnnn1C1CCCCC1)[N@@H+](Cc1ccccc1)Cc1cc2cc(CC)ccc2[nH]c1=O ZINC000013499245 555429694 /nfs/dbraw/zinc/42/96/94/555429694.db2.gz RIDVFOKYGQQVAU-MUUNZHRXSA-N 1 2 498.675 6.126 40 0 JKABLO CCC[C@@H](c1nnnn1C(C)(C)C)[N@H+](Cc1ccccc1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000013499264 555429993 /nfs/dbraw/zinc/42/99/93/555429993.db2.gz RTUNMFJPSMWLEL-DEOSSOPVSA-N 1 2 458.610 5.122 40 0 JKABLO CCC[C@@H](c1nnnn1C(C)(C)C)[N@@H+](Cc1ccccc1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000013499264 555429997 /nfs/dbraw/zinc/42/99/97/555429997.db2.gz RTUNMFJPSMWLEL-DEOSSOPVSA-N 1 2 458.610 5.122 40 0 JKABLO CCC[C@H](c1nnnn1C(C)(C)CC)[N@H+](Cc1ccc(F)cc1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000013499277 555430019 /nfs/dbraw/zinc/43/00/19/555430019.db2.gz IMOOOUWRVFBUKV-RUZDIDTESA-N 1 2 490.627 5.651 40 0 JKABLO CCC[C@H](c1nnnn1C(C)(C)CC)[N@@H+](Cc1ccc(F)cc1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000013499277 555430021 /nfs/dbraw/zinc/43/00/21/555430021.db2.gz IMOOOUWRVFBUKV-RUZDIDTESA-N 1 2 490.627 5.651 40 0 JKABLO CCC[C@@H](c1nnnn1C(C)(C)CC)[N@H+](Cc1cccs1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000013499282 555430067 /nfs/dbraw/zinc/43/00/67/555430067.db2.gz IWFQOFZCORNYDW-QHCPKHFHSA-N 1 2 478.666 5.573 40 0 JKABLO CCC[C@@H](c1nnnn1C(C)(C)CC)[N@@H+](Cc1cccs1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000013499282 555430070 /nfs/dbraw/zinc/43/00/70/555430070.db2.gz IWFQOFZCORNYDW-QHCPKHFHSA-N 1 2 478.666 5.573 40 0 JKABLO CCC[C@H](c1nnnn1C(C)(C)C)[N@H+](Cc1cccs1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000013499437 555431278 /nfs/dbraw/zinc/43/12/78/555431278.db2.gz RABRPDHSRVXDGO-HSZRJFAPSA-N 1 2 478.666 5.492 40 0 JKABLO CCC[C@H](c1nnnn1C(C)(C)C)[N@@H+](Cc1cccs1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000013499437 555431279 /nfs/dbraw/zinc/43/12/79/555431279.db2.gz RABRPDHSRVXDGO-HSZRJFAPSA-N 1 2 478.666 5.492 40 0 JKABLO CCC[C@H](c1nnnn1C(C)(C)C)[N@H+](Cc1cccs1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000013499547 555432545 /nfs/dbraw/zinc/43/25/45/555432545.db2.gz TVMSYHICSJMUET-HSZRJFAPSA-N 1 2 478.666 5.492 40 0 JKABLO CCC[C@H](c1nnnn1C(C)(C)C)[N@@H+](Cc1cccs1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000013499547 555432548 /nfs/dbraw/zinc/43/25/48/555432548.db2.gz TVMSYHICSJMUET-HSZRJFAPSA-N 1 2 478.666 5.492 40 0 JKABLO CCC[C@@H](c1nnnn1C(C)(C)CC)[N@H+](Cc1ccccc1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000013499552 555432644 /nfs/dbraw/zinc/43/26/44/555432644.db2.gz HQMRXRVOUCPXGY-SANMLTNESA-N 1 2 486.664 5.820 40 0 JKABLO CCC[C@@H](c1nnnn1C(C)(C)CC)[N@@H+](Cc1ccccc1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000013499552 555432646 /nfs/dbraw/zinc/43/26/46/555432646.db2.gz HQMRXRVOUCPXGY-SANMLTNESA-N 1 2 486.664 5.820 40 0 JKABLO CCC[C@H](c1nnnn1C(C)(C)CC)[N@H+](Cc1ccccc1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000013499551 555432680 /nfs/dbraw/zinc/43/26/80/555432680.db2.gz HQMRXRVOUCPXGY-AREMUKBSSA-N 1 2 486.664 5.820 40 0 JKABLO CCC[C@H](c1nnnn1C(C)(C)CC)[N@@H+](Cc1ccccc1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000013499551 555432683 /nfs/dbraw/zinc/43/26/83/555432683.db2.gz HQMRXRVOUCPXGY-AREMUKBSSA-N 1 2 486.664 5.820 40 0 JKABLO CCC[C@H](c1nnnn1C1CCCCC1)[N@@H+](Cc1cc2ccc(C)c(C)c2[nH]c1=O)C[C@@H]1CCCO1 ZINC000013499633 555434061 /nfs/dbraw/zinc/43/40/61/555434061.db2.gz XORUSSZGAMGYAE-LOSJGSFVSA-N 1 2 492.668 5.159 40 0 JKABLO CCC[C@H](c1nnnn1C1CCCCC1)[N@H+](Cc1cc2ccc(C)c(C)c2[nH]c1=O)C[C@@H]1CCCO1 ZINC000013499633 555434063 /nfs/dbraw/zinc/43/40/63/555434063.db2.gz XORUSSZGAMGYAE-LOSJGSFVSA-N 1 2 492.668 5.159 40 0 JKABLO Cc1cccc2cc(C[N@@H+](Cc3ccc(F)cc3)[C@H](c3nnnn3C(C)(C)C)C(C)C)c(=O)[nH]c12 ZINC000013500226 555438077 /nfs/dbraw/zinc/43/80/77/555438077.db2.gz IJZFVNWKCJASHN-DEOSSOPVSA-N 1 2 476.600 5.117 40 0 JKABLO Cc1cccc2cc(C[N@H+](Cc3ccc(F)cc3)[C@H](c3nnnn3C(C)(C)C)C(C)C)c(=O)[nH]c12 ZINC000013500226 555438080 /nfs/dbraw/zinc/43/80/80/555438080.db2.gz IJZFVNWKCJASHN-DEOSSOPVSA-N 1 2 476.600 5.117 40 0 JKABLO Cc1cc(C)c2[nH]c(=O)c(C[N@@H+](Cc3ccccc3)[C@@H](c3nnnn3C3CCCCC3)C(C)C)cc2c1 ZINC000013500327 555438830 /nfs/dbraw/zinc/43/88/30/555438830.db2.gz HAIGSRVZBIWOKC-MUUNZHRXSA-N 1 2 498.675 6.036 40 0 JKABLO Cc1cc(C)c2[nH]c(=O)c(C[N@H+](Cc3ccccc3)[C@@H](c3nnnn3C3CCCCC3)C(C)C)cc2c1 ZINC000013500327 555438833 /nfs/dbraw/zinc/43/88/33/555438833.db2.gz HAIGSRVZBIWOKC-MUUNZHRXSA-N 1 2 498.675 6.036 40 0 JKABLO Cc1ccc(C[N@H+](Cc2cc3cc(C)ccc3[nH]c2=O)[C@@H](c2nnnn2C2CCCC2)C(C)C)cc1 ZINC000013500339 555439363 /nfs/dbraw/zinc/43/93/63/555439363.db2.gz FMVJKEBMYCQMAQ-HHHXNRCGSA-N 1 2 484.648 5.646 40 0 JKABLO Cc1ccc(C[N@@H+](Cc2cc3cc(C)ccc3[nH]c2=O)[C@@H](c2nnnn2C2CCCC2)C(C)C)cc1 ZINC000013500339 555439366 /nfs/dbraw/zinc/43/93/66/555439366.db2.gz FMVJKEBMYCQMAQ-HHHXNRCGSA-N 1 2 484.648 5.646 40 0 JKABLO CCC(C)(C)n1nnnc1[C@H](C(C)C)[N@H+](Cc1ccc(F)cc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013500348 555439387 /nfs/dbraw/zinc/43/93/87/555439387.db2.gz ATKFXZCNWVYNHP-VWLOTQADSA-N 1 2 490.627 5.507 40 0 JKABLO CCC(C)(C)n1nnnc1[C@H](C(C)C)[N@@H+](Cc1ccc(F)cc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013500348 555439391 /nfs/dbraw/zinc/43/93/91/555439391.db2.gz ATKFXZCNWVYNHP-VWLOTQADSA-N 1 2 490.627 5.507 40 0 JKABLO Cc1ccc2[nH]c(=O)c(C[N@@H+](Cc3cccs3)[C@H](c3nnnn3C3CCCC3)C(C)C)cc2c1 ZINC000013500487 555440438 /nfs/dbraw/zinc/44/04/38/555440438.db2.gz GQVGAOBKMGFVSI-DEOSSOPVSA-N 1 2 476.650 5.399 40 0 JKABLO Cc1ccc2[nH]c(=O)c(C[N@H+](Cc3cccs3)[C@H](c3nnnn3C3CCCC3)C(C)C)cc2c1 ZINC000013500487 555440441 /nfs/dbraw/zinc/44/04/41/555440441.db2.gz GQVGAOBKMGFVSI-DEOSSOPVSA-N 1 2 476.650 5.399 40 0 JKABLO Cc1cc(C)c2[nH]c(=O)c(C[N@@H+](Cc3ccco3)[C@@H](c3nnnn3C3CCCCC3)C(C)C)cc2c1 ZINC000013500452 555440524 /nfs/dbraw/zinc/44/05/24/555440524.db2.gz RUYPURMEWLAMSH-AREMUKBSSA-N 1 2 488.636 5.629 40 0 JKABLO Cc1cc(C)c2[nH]c(=O)c(C[N@H+](Cc3ccco3)[C@@H](c3nnnn3C3CCCCC3)C(C)C)cc2c1 ZINC000013500452 555440526 /nfs/dbraw/zinc/44/05/26/555440526.db2.gz RUYPURMEWLAMSH-AREMUKBSSA-N 1 2 488.636 5.629 40 0 JKABLO CCC(C)(C)n1nnnc1[C@H](C(C)C)[N@H+](Cc1cccs1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013500485 555440543 /nfs/dbraw/zinc/44/05/43/555440543.db2.gz BKCBSFPUMBNGPK-QHCPKHFHSA-N 1 2 478.666 5.429 40 0 JKABLO CCC(C)(C)n1nnnc1[C@H](C(C)C)[N@@H+](Cc1cccs1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013500485 555440545 /nfs/dbraw/zinc/44/05/45/555440545.db2.gz BKCBSFPUMBNGPK-QHCPKHFHSA-N 1 2 478.666 5.429 40 0 JKABLO CCC[C@@H](c1nnnn1C(C)(C)C)[N@H+](Cc1ccc(OC)cc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013500719 555442902 /nfs/dbraw/zinc/44/29/02/555442902.db2.gz BTZBLPZFNIZAGC-DEOSSOPVSA-N 1 2 488.636 5.130 40 0 JKABLO CCC[C@@H](c1nnnn1C(C)(C)C)[N@@H+](Cc1ccc(OC)cc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013500719 555442904 /nfs/dbraw/zinc/44/29/04/555442904.db2.gz BTZBLPZFNIZAGC-DEOSSOPVSA-N 1 2 488.636 5.130 40 0 JKABLO CCC[C@@H](c1nnnn1C(C)(C)C)[N@H+](Cc1ccc(C)cc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013500705 555442932 /nfs/dbraw/zinc/44/29/32/555442932.db2.gz CIQDJZMVWGDMNB-VWLOTQADSA-N 1 2 472.637 5.430 40 0 JKABLO CCC[C@@H](c1nnnn1C(C)(C)C)[N@@H+](Cc1ccc(C)cc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013500705 555442934 /nfs/dbraw/zinc/44/29/34/555442934.db2.gz CIQDJZMVWGDMNB-VWLOTQADSA-N 1 2 472.637 5.430 40 0 JKABLO CCC[C@H](c1nnnn1C(C)(C)C)[N@H+](Cc1ccc(F)cc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013500712 555442954 /nfs/dbraw/zinc/44/29/54/555442954.db2.gz AMSQNYZFJZWBKI-HSZRJFAPSA-N 1 2 476.600 5.261 40 0 JKABLO CCC[C@H](c1nnnn1C(C)(C)C)[N@@H+](Cc1ccc(F)cc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013500712 555442957 /nfs/dbraw/zinc/44/29/57/555442957.db2.gz AMSQNYZFJZWBKI-HSZRJFAPSA-N 1 2 476.600 5.261 40 0 JKABLO CCC[C@H](c1nnnn1C(C)(C)C)[N@H+](Cc1ccccc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013500696 555443005 /nfs/dbraw/zinc/44/30/05/555443005.db2.gz RBOTWVICMQLJEL-HSZRJFAPSA-N 1 2 458.610 5.122 40 0 JKABLO CCC[C@H](c1nnnn1C(C)(C)C)[N@@H+](Cc1ccccc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013500696 555443007 /nfs/dbraw/zinc/44/30/07/555443007.db2.gz RBOTWVICMQLJEL-HSZRJFAPSA-N 1 2 458.610 5.122 40 0 JKABLO CCC[C@@H](c1nnnn1C(C)(C)C)[N@H+](Cc1cccs1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013500747 555443418 /nfs/dbraw/zinc/44/34/18/555443418.db2.gz QHWGAJWKQQGYNO-QFIPXVFZSA-N 1 2 464.639 5.183 40 0 JKABLO CCC[C@@H](c1nnnn1C(C)(C)C)[N@@H+](Cc1cccs1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013500747 555443421 /nfs/dbraw/zinc/44/34/21/555443421.db2.gz QHWGAJWKQQGYNO-QFIPXVFZSA-N 1 2 464.639 5.183 40 0 JKABLO CCC[C@H](c1nnnn1C(C)(C)C)[N@H+](Cc1cccs1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013500744 555443526 /nfs/dbraw/zinc/44/35/26/555443526.db2.gz OSKHHZQUTAKDEH-OAQYLSRUSA-N 1 2 464.639 5.183 40 0 JKABLO CCC[C@H](c1nnnn1C(C)(C)C)[N@@H+](Cc1cccs1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013500744 555443528 /nfs/dbraw/zinc/44/35/28/555443528.db2.gz OSKHHZQUTAKDEH-OAQYLSRUSA-N 1 2 464.639 5.183 40 0 JKABLO CCC[C@@H](c1nnnn1C1CCCC1)[N@H+](Cc1ccccc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013500787 555443825 /nfs/dbraw/zinc/44/38/25/555443825.db2.gz NRZXYERPMUBEMZ-VWLOTQADSA-N 1 2 470.621 5.482 40 0 JKABLO CCC[C@@H](c1nnnn1C1CCCC1)[N@@H+](Cc1ccccc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013500787 555443827 /nfs/dbraw/zinc/44/38/27/555443827.db2.gz NRZXYERPMUBEMZ-VWLOTQADSA-N 1 2 470.621 5.482 40 0 JKABLO CCC[C@H](c1nnnn1C1CCCC1)[N@H+](Cc1ccccc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013500772 555443842 /nfs/dbraw/zinc/44/38/42/555443842.db2.gz PISPRABQFVKDDL-AREMUKBSSA-N 1 2 470.621 5.482 40 0 JKABLO CCC[C@H](c1nnnn1C1CCCC1)[N@@H+](Cc1ccccc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013500772 555443844 /nfs/dbraw/zinc/44/38/44/555443844.db2.gz PISPRABQFVKDDL-AREMUKBSSA-N 1 2 470.621 5.482 40 0 JKABLO CCC[C@H](c1nnnn1C1CCCCC1)[N@H+](Cc1ccccc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013500788 555444006 /nfs/dbraw/zinc/44/40/06/555444006.db2.gz PTVOMBVUQRGXCV-AREMUKBSSA-N 1 2 484.648 5.872 40 0 JKABLO CCC[C@H](c1nnnn1C1CCCCC1)[N@@H+](Cc1ccccc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013500788 555444009 /nfs/dbraw/zinc/44/40/09/555444009.db2.gz PTVOMBVUQRGXCV-AREMUKBSSA-N 1 2 484.648 5.872 40 0 JKABLO CCC[C@@H](c1nnnn1C1CCCCC1)[N@H+](Cc1ccc(C)cc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013500819 555444346 /nfs/dbraw/zinc/44/43/46/555444346.db2.gz PQMPKJUNRBQGNN-NDEPHWFRSA-N 1 2 498.675 6.180 40 0 JKABLO CCC[C@@H](c1nnnn1C1CCCCC1)[N@@H+](Cc1ccc(C)cc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013500819 555444349 /nfs/dbraw/zinc/44/43/49/555444349.db2.gz PQMPKJUNRBQGNN-NDEPHWFRSA-N 1 2 498.675 6.180 40 0 JKABLO CCC[C@H](c1nnnn1C(C)(C)CC)[N@H+](Cc1ccc(C)cc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013500814 555444363 /nfs/dbraw/zinc/44/43/63/555444363.db2.gz JLUNTAPDHHDZIV-AREMUKBSSA-N 1 2 486.664 5.820 40 0 JKABLO CCC[C@H](c1nnnn1C(C)(C)CC)[N@@H+](Cc1ccc(C)cc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013500814 555444367 /nfs/dbraw/zinc/44/43/67/555444367.db2.gz JLUNTAPDHHDZIV-AREMUKBSSA-N 1 2 486.664 5.820 40 0 JKABLO CCC[C@@H](c1nnnn1C1CCCCC1)[N@H+](Cc1ccccc1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013500799 555444386 /nfs/dbraw/zinc/44/43/86/555444386.db2.gz MTWUBBUDRSRFBB-MHZLTWQESA-N 1 2 498.675 6.180 40 0 JKABLO CCC[C@@H](c1nnnn1C1CCCCC1)[N@@H+](Cc1ccccc1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013500799 555444388 /nfs/dbraw/zinc/44/43/88/555444388.db2.gz MTWUBBUDRSRFBB-MHZLTWQESA-N 1 2 498.675 6.180 40 0 JKABLO CCC[C@H](c1nnnn1C1CCCC1)[N@H+](Cc1ccc(F)cc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013500834 555444428 /nfs/dbraw/zinc/44/44/28/555444428.db2.gz FZWHGIRDMHOOMV-AREMUKBSSA-N 1 2 488.611 5.621 40 0 JKABLO CCC[C@H](c1nnnn1C1CCCC1)[N@@H+](Cc1ccc(F)cc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013500834 555444432 /nfs/dbraw/zinc/44/44/32/555444432.db2.gz FZWHGIRDMHOOMV-AREMUKBSSA-N 1 2 488.611 5.621 40 0 JKABLO CCC[C@@H](c1nnnn1C1CCCC1)[N@H+](Cc1ccc(C)cc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013500817 555444437 /nfs/dbraw/zinc/44/44/37/555444437.db2.gz STCAEBOFZCCEOT-MHZLTWQESA-N 1 2 484.648 5.790 40 0 JKABLO CCC[C@@H](c1nnnn1C1CCCC1)[N@@H+](Cc1ccc(C)cc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013500817 555444441 /nfs/dbraw/zinc/44/44/41/555444441.db2.gz STCAEBOFZCCEOT-MHZLTWQESA-N 1 2 484.648 5.790 40 0 JKABLO CCC[C@H](c1nnnn1C1CCCC1)[N@H+](Cc1ccc(C)cc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013500808 555444504 /nfs/dbraw/zinc/44/45/04/555444504.db2.gz SKAUBZBLNDJIGK-AREMUKBSSA-N 1 2 484.648 5.790 40 0 JKABLO CCC[C@H](c1nnnn1C1CCCC1)[N@@H+](Cc1ccc(C)cc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013500808 555444508 /nfs/dbraw/zinc/44/45/08/555444508.db2.gz SKAUBZBLNDJIGK-AREMUKBSSA-N 1 2 484.648 5.790 40 0 JKABLO CCC[C@H](c1nnnn1C(C)(C)CC)[N@H+](Cc1ccc(C)cc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013500806 555444516 /nfs/dbraw/zinc/44/45/16/555444516.db2.gz WGRFRTCPSXSGNZ-RUZDIDTESA-N 1 2 486.664 5.820 40 0 JKABLO CCC[C@H](c1nnnn1C(C)(C)CC)[N@@H+](Cc1ccc(C)cc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013500806 555444519 /nfs/dbraw/zinc/44/45/19/555444519.db2.gz WGRFRTCPSXSGNZ-RUZDIDTESA-N 1 2 486.664 5.820 40 0 JKABLO CCC[C@H](c1nnnn1Cc1ccco1)[N@H+](Cc1cccs1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013500952 555445556 /nfs/dbraw/zinc/44/55/56/555445556.db2.gz HDWKAWWMADSSRS-HSZRJFAPSA-N 1 2 488.617 5.069 40 0 JKABLO CCC[C@H](c1nnnn1Cc1ccco1)[N@@H+](Cc1cccs1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013500952 555445558 /nfs/dbraw/zinc/44/55/58/555445558.db2.gz HDWKAWWMADSSRS-HSZRJFAPSA-N 1 2 488.617 5.069 40 0 JKABLO CCC[C@@H](c1nnnn1C1CCCC1)[N@H+](Cc1cccs1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013500945 555445585 /nfs/dbraw/zinc/44/55/85/555445585.db2.gz UPSAHDWRCNCYKJ-QHCPKHFHSA-N 1 2 476.650 5.543 40 0 JKABLO CCC[C@@H](c1nnnn1C1CCCC1)[N@@H+](Cc1cccs1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013500945 555445588 /nfs/dbraw/zinc/44/55/88/555445588.db2.gz UPSAHDWRCNCYKJ-QHCPKHFHSA-N 1 2 476.650 5.543 40 0 JKABLO Cc1cccc2cc([C@@H](c3nnnn3C(C)C)[N@H+](CCc3ccccc3)Cc3cccs3)c(=O)[nH]c12 ZINC000013503390 555460913 /nfs/dbraw/zinc/46/09/13/555460913.db2.gz KQKQLPLSLBOBIA-SANMLTNESA-N 1 2 498.656 5.300 40 0 JKABLO Cc1cccc2cc([C@@H](c3nnnn3C(C)C)[N@@H+](CCc3ccccc3)Cc3cccs3)c(=O)[nH]c12 ZINC000013503390 555460914 /nfs/dbraw/zinc/46/09/14/555460914.db2.gz KQKQLPLSLBOBIA-SANMLTNESA-N 1 2 498.656 5.300 40 0 JKABLO Cc1sc(NC(=O)C[NH+]2CCCCC2)nc1-c1ccc2c(c1)CCN2C(=O)c1ccccc1C ZINC000013564960 555500278 /nfs/dbraw/zinc/50/02/78/555500278.db2.gz CXWAGKUQTWHEAD-UHFFFAOYSA-N 1 2 474.630 5.054 40 0 JKABLO CCOC(=O)c1c(NC(=O)c2ccc(Cl)cc2)sc2c1CC[N@H+](Cc1ccccc1)C2 ZINC000019942013 555561209 /nfs/dbraw/zinc/56/12/09/555561209.db2.gz HGLNXVZNUNLHHM-UHFFFAOYSA-N 1 2 454.979 5.389 40 0 JKABLO CCOC(=O)c1c(NC(=O)c2ccc(Cl)cc2)sc2c1CC[N@@H+](Cc1ccccc1)C2 ZINC000019942013 555561211 /nfs/dbraw/zinc/56/12/11/555561211.db2.gz HGLNXVZNUNLHHM-UHFFFAOYSA-N 1 2 454.979 5.389 40 0 JKABLO Cc1ccc(C)c(N2CC[NH+]([C@H](c3nnnn3C3CCCCC3)c3ccc4ncccc4c3)CC2)c1 ZINC000020098445 555633237 /nfs/dbraw/zinc/63/32/37/555633237.db2.gz NTNWWGYIIJQCBX-NDEPHWFRSA-N 1 2 481.648 5.255 40 0 JKABLO O=C(Nc1ccc(Br)cc1)c1ccc(C[NH+]2CCN(Cc3ccccc3)CC2)cc1 ZINC000020241807 555737583 /nfs/dbraw/zinc/73/75/83/555737583.db2.gz BWMWLDXPBHYCGK-UHFFFAOYSA-N 1 2 464.407 5.019 40 0 JKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)c4ccccc4)cc3n2)c(C)c1 ZINC000014270957 555764328 /nfs/dbraw/zinc/76/43/28/555764328.db2.gz IUBMXFHYSFCYDJ-UHFFFAOYSA-N 1 2 472.618 5.010 40 0 JKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=O)Cc4ccc(Cl)cc4)cc3n2)c(C)c1 ZINC000014272802 555770997 /nfs/dbraw/zinc/77/09/97/555770997.db2.gz AASFHNURHGBSTQ-UHFFFAOYSA-N 1 2 461.997 5.718 40 0 JKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=O)c4ccc5ccccc5c4)cc3n2)c(C)c1 ZINC000014272800 555771004 /nfs/dbraw/zinc/77/10/04/555771004.db2.gz HEYMQEIYLOUSBT-UHFFFAOYSA-N 1 2 463.585 6.289 40 0 JKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=O)C(Cl)(Cl)Cl)cc3n2)c(C)c1 ZINC000014272789 555771081 /nfs/dbraw/zinc/77/10/81/555771081.db2.gz RABSEJTVINJJEX-UHFFFAOYSA-N 1 2 454.789 5.192 40 0 JKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(C)c(Cl)c4)cc3n2)c(C)c1 ZINC000014272784 555771138 /nfs/dbraw/zinc/77/11/38/555771138.db2.gz XJYMMIVGWLKAEN-UHFFFAOYSA-N 1 2 461.997 6.098 40 0 JKABLO CCOc1ccc(C(=O)Nc2cc3nn(-c4ccc([NH+](CC)CC)cc4C)nc3cc2C)cc1 ZINC000014272832 555771413 /nfs/dbraw/zinc/77/14/13/555771413.db2.gz AXABSQBPKWQGRM-UHFFFAOYSA-N 1 2 457.578 5.535 40 0 JKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=O)c4ccccc4Br)cc3n2)c(C)c1 ZINC000014278554 555788802 /nfs/dbraw/zinc/78/88/02/555788802.db2.gz DMNRKWNQCAKUQP-UHFFFAOYSA-N 1 2 492.421 5.898 40 0 JKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(-c5ccccc5)cc4)cc3n2)c(C)c1 ZINC000014278558 555788807 /nfs/dbraw/zinc/78/88/07/555788807.db2.gz IULFDWCLMOPTKZ-UHFFFAOYSA-N 1 2 489.623 6.803 40 0 JKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=O)COc4cccc5ccccc54)cc3n2)c(C)c1 ZINC000014278584 555789093 /nfs/dbraw/zinc/78/90/93/555789093.db2.gz AWXDENUKFCDNHC-UHFFFAOYSA-N 1 2 493.611 6.054 40 0 JKABLO Cc1cccc(NC(=S)N2CC[NH+](C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)c1C ZINC000022532478 555932405 /nfs/dbraw/zinc/93/24/05/555932405.db2.gz XESVIYRSCIFWQD-UHFFFAOYSA-N 1 2 451.586 5.686 40 0 JKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=O)COc4cccc(C)c4C)cc3n2)cc1 ZINC000022564496 555935310 /nfs/dbraw/zinc/93/53/10/555935310.db2.gz BWXRYZKPJFOYEB-UHFFFAOYSA-N 1 2 457.578 5.209 40 0 JKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=O)COc4ccc(C)cc4C)cc3n2)cc1 ZINC000022564510 555935354 /nfs/dbraw/zinc/93/53/54/555935354.db2.gz XKURXEMBYAPDAW-UHFFFAOYSA-N 1 2 457.578 5.209 40 0 JKABLO O=C(Nc1cccc(F)c1)N1Cc2[nH+]c[nH]c2C[C@H]1c1nc(-c2ccc3ccccc3c2)no1 ZINC000015675941 555935368 /nfs/dbraw/zinc/93/53/68/555935368.db2.gz IZWTXDPVPDGPSN-QFIPXVFZSA-N 1 2 454.465 5.084 40 0 biogenic,in-vitro JKABLO O=C(Nc1cccc(F)c1)N1Cc2[nH]c[nH+]c2C[C@H]1c1nc(-c2ccc3ccccc3c2)no1 ZINC000015675941 555935370 /nfs/dbraw/zinc/93/53/70/555935370.db2.gz IZWTXDPVPDGPSN-QFIPXVFZSA-N 1 2 454.465 5.084 40 0 biogenic,in-vitro JKABLO O=C(Nc1ccc(Cl)cc1)N1Cc2[nH+]c[nH]c2C[C@H]1c1nc(-c2ccc3ccccc3c2)no1 ZINC000015675938 555935394 /nfs/dbraw/zinc/93/53/94/555935394.db2.gz YYOLNXZCSITGDM-QFIPXVFZSA-N 1 2 470.920 5.598 40 0 biogenic,in-vitro JKABLO O=C(Nc1ccc(Cl)cc1)N1Cc2[nH]c[nH+]c2C[C@H]1c1nc(-c2ccc3ccccc3c2)no1 ZINC000015675938 555935397 /nfs/dbraw/zinc/93/53/97/555935397.db2.gz YYOLNXZCSITGDM-QFIPXVFZSA-N 1 2 470.920 5.598 40 0 biogenic,in-vitro JKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=O)COc4ccc(C(C)C)cc4)cc3n2)cc1 ZINC000022707786 555944338 /nfs/dbraw/zinc/94/43/38/555944338.db2.gz FRELMJYDMJCOFV-UHFFFAOYSA-N 1 2 471.605 5.716 40 0 JKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=O)COc4ccc(Cl)cc4C)cc3n2)cc1 ZINC000022714170 555947114 /nfs/dbraw/zinc/94/71/14/555947114.db2.gz IUPOQNGKUXYFHG-UHFFFAOYSA-N 1 2 477.996 5.554 40 0 JKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=O)COc4ccc5ccccc5c4)cc3n2)cc1 ZINC000022716327 555947745 /nfs/dbraw/zinc/94/77/45/555947745.db2.gz KTWFLSDFLXXGSB-UHFFFAOYSA-N 1 2 479.584 5.746 40 0 JKABLO COc1ccc(NC(=S)N2CC[NH+](C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)c(OC)c1 ZINC000022740855 555949280 /nfs/dbraw/zinc/94/92/80/555949280.db2.gz STFLQUSOVVPDQS-UHFFFAOYSA-N 1 2 483.584 5.086 40 0 JKABLO CC[NH+](CC)c1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)c4ccc(C)c(C)c4)cc3n2)cc1 ZINC000022744686 555950482 /nfs/dbraw/zinc/95/04/82/555950482.db2.gz XWOGNPCJOLSBGF-UHFFFAOYSA-N 1 2 486.645 5.319 40 0 JKABLO Fc1cccc(Cl)c1CSc1[nH+]cnc2c1c(-c1ccccc1)cn2-c1cccc(Cl)c1 ZINC000016757808 556157811 /nfs/dbraw/zinc/15/78/11/556157811.db2.gz PUXCSUZRMFXNRJ-UHFFFAOYSA-N 1 2 480.395 7.826 40 0 JKABLO Cc1ccc(C)c(CSc2[nH+]cnc3c2c(-c2ccccc2)cn3-c2ccc(Cl)cc2)c1 ZINC000016757897 556157835 /nfs/dbraw/zinc/15/78/35/556157835.db2.gz PHSAFUBKRCJGNQ-UHFFFAOYSA-N 1 2 456.014 7.650 40 0 JKABLO Clc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3SCc2ccccc2Cl)cc1 ZINC000016757846 556157838 /nfs/dbraw/zinc/15/78/38/556157838.db2.gz QZMIZOZCIKNDAB-UHFFFAOYSA-N 1 2 462.405 7.687 40 0 JKABLO C[C@H](Sc1[nH+]cnc2c1c(-c1ccccc1)cn2-c1ccc(Br)cc1)c1ccccc1 ZINC000016757955 556158110 /nfs/dbraw/zinc/15/81/10/556158110.db2.gz RMQZMVUYQFNRLJ-SFHVURJKSA-N 1 2 486.438 7.703 40 0 JKABLO C[C@@H](Sc1[nH+]cnc2c1c(-c1ccccc1)cn2-c1ccc(Br)cc1)c1ccccc1 ZINC000016757953 556158140 /nfs/dbraw/zinc/15/81/40/556158140.db2.gz RMQZMVUYQFNRLJ-GOSISDBHSA-N 1 2 486.438 7.703 40 0 JKABLO Cc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3S[C@H](C)c2ccccc2)cc1Cl ZINC000016758037 556158452 /nfs/dbraw/zinc/15/84/52/556158452.db2.gz NMMVATOOAQRMFD-LJQANCHMSA-N 1 2 456.014 7.903 40 0 JKABLO CC[C@H](Sc1[nH+]cnc2c1c(-c1ccccc1)cn2-c1ccc(C)c(Cl)c1)C(=O)OC ZINC000016758049 556158498 /nfs/dbraw/zinc/15/84/98/556158498.db2.gz KUJRNQHSLRKJDU-FQEVSTJZSA-N 1 2 451.979 6.093 40 0 JKABLO CCOC(=O)[C@H](C)Sc1[nH+]cnc2c1c(-c1ccccc1)cn2-c1ccc(C)c(Cl)c1 ZINC000016758029 556158516 /nfs/dbraw/zinc/15/85/16/556158516.db2.gz KNFTXWQKJPKSGV-INIZCTEOSA-N 1 2 451.979 6.093 40 0 JKABLO Clc1ccc2nc(CSc3nnc(SCc4cn5cc(Cl)ccc5[nH+]4)s3)cn2c1 ZINC000016769957 556158747 /nfs/dbraw/zinc/15/87/47/556158747.db2.gz BYGFNIVJQYVMTR-UHFFFAOYSA-N 1 2 479.443 5.725 40 0 JKABLO O=C(c1cc(-c2ccccc2Cl)nc2ccccc21)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000026780161 556262187 /nfs/dbraw/zinc/26/21/87/556262187.db2.gz WTTRXYCADONXAX-FLIBITNWSA-N 1 2 468.000 6.026 40 0 JKABLO CC(C)(C)c1ccc(OC[C@@H](O)C[NH+]2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000026781388 556262586 /nfs/dbraw/zinc/26/25/86/556262586.db2.gz DCBVFTIQCDHYAZ-MHZLTWQESA-N 1 2 458.646 5.131 40 0 JKABLO COc1ccc(CN2CCC[N@H+](Cc3ccc(OC)cc3)C2c2ccc(NC(C)=O)cc2)cc1 ZINC000019326435 556341808 /nfs/dbraw/zinc/34/18/08/556341808.db2.gz FDTTVCFZIBLCLH-UHFFFAOYSA-N 1 2 459.590 5.069 40 0 JKABLO COc1ccc(CN2CCC[N@@H+](Cc3ccc(OC)cc3)C2c2ccc(NC(C)=O)cc2)cc1 ZINC000019326435 556341810 /nfs/dbraw/zinc/34/18/10/556341810.db2.gz FDTTVCFZIBLCLH-UHFFFAOYSA-N 1 2 459.590 5.069 40 0 JKABLO O=C1CC2(c3ccccc3-c3ccccc32)C(=O)N1C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000031761735 556403006 /nfs/dbraw/zinc/40/30/06/556403006.db2.gz AGNYCGPAUQLPTR-UHFFFAOYSA-N 1 2 458.561 5.372 40 0 JKABLO Cc1ccc2ccccc2c1C1N(Cc2ccc(Cl)cc2)CC[N@@H+]1Cc1ccc(Cl)cc1 ZINC000032109941 556420198 /nfs/dbraw/zinc/42/01/98/556420198.db2.gz RJJHYVYLLJQDGU-UHFFFAOYSA-N 1 2 461.436 7.472 40 0 JKABLO Cc1ccc2ccccc2c1C1N(Cc2ccc(Cl)cc2)CC[N@H+]1Cc1ccc(Cl)cc1 ZINC000032109941 556420200 /nfs/dbraw/zinc/42/02/00/556420200.db2.gz RJJHYVYLLJQDGU-UHFFFAOYSA-N 1 2 461.436 7.472 40 0 JKABLO Cc1cccc2cc(C[N@H+](Cc3cccs3)C3(c4nnnn4C4CCCC4)CCCC3)c(=O)[nH]c12 ZINC000008586357 562940989 /nfs/dbraw/zinc/94/09/89/562940989.db2.gz ZURYEFVILLDWMF-UHFFFAOYSA-N 1 2 488.661 5.471 40 0 aggregator JKABLO Cc1cccc2cc(C[N@@H+](Cc3cccs3)C3(c4nnnn4C4CCCC4)CCCC3)c(=O)[nH]c12 ZINC000008586357 562940991 /nfs/dbraw/zinc/94/09/91/562940991.db2.gz ZURYEFVILLDWMF-UHFFFAOYSA-N 1 2 488.661 5.471 40 0 aggregator JKABLO CC[C@@H](c1nnnn1C1CCCC1)[N@H+](Cc1cccs1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000008617365 562948326 /nfs/dbraw/zinc/94/83/26/562948326.db2.gz NXMZGDZYQKYPPT-QFIPXVFZSA-N 1 2 462.623 5.153 40 0 JKABLO CC[C@@H](c1nnnn1C1CCCC1)[N@@H+](Cc1cccs1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000008617365 562948327 /nfs/dbraw/zinc/94/83/27/562948327.db2.gz NXMZGDZYQKYPPT-QFIPXVFZSA-N 1 2 462.623 5.153 40 0 JKABLO COc1ccc(F)cc1C[NH+]1CCN(c2cc(C)nc3c(-c4ccc(Cl)cc4)c(C)nn32)CC1 ZINC000054306881 569589787 /nfs/dbraw/zinc/58/97/87/569589787.db2.gz JUAYGUDYTRINTQ-UHFFFAOYSA-N 1 2 479.987 5.136 40 0 JKABLO CCc1cc([C@@H](c2ccc(F)cc2)[NH+]2CCN(c3ccccc3)CC2)c(NC(=O)c2ccccc2)s1 ZINC000054350353 569589980 /nfs/dbraw/zinc/58/99/80/569589980.db2.gz LTQQVIZLLYZEGV-MUUNZHRXSA-N 1 2 499.655 6.614 40 0 JKABLO CCc1ccc(N2C(=O)C(=Cc3cc(C)n(-c4ccc([NH+](C)C)cc4)c3C)C(=O)NC2=S)cc1 ZINC000033408856 569625997 /nfs/dbraw/zinc/62/59/97/569625997.db2.gz AGHVEEYLVPAEQZ-LFVJCYFKSA-N 1 2 472.614 5.394 40 0 JKABLO CCOC(=O)C1CC[NH+](CC(=O)N2N=C3/C(=C\c4ccccc4)CCC[C@H]3[C@@H]2c2ccccc2)CC1 ZINC000033740399 569633089 /nfs/dbraw/zinc/63/30/89/569633089.db2.gz DXRSYJAHPQMYFI-SVHIAISLSA-N 1 2 485.628 5.085 40 0 JKABLO O=C1C[C@@H](c2ccc(Br)cc2)[NH2+][C@@H](c2ccc(Br)cc2)[C@@H]1c1ccccc1 ZINC000033901424 569637130 /nfs/dbraw/zinc/63/71/30/569637130.db2.gz GWXVHIWWZSJFAP-WWNPGLIZSA-N 1 2 485.219 6.340 40 0 JKABLO Cc1ccc2cc(C[N@@H+](C[C@H]3CCCO3)[C@@H](c3nnnn3C3CCCCC3)C(C)C)c(=O)[nH]c2c1C ZINC000033937256 569638666 /nfs/dbraw/zinc/63/86/66/569638666.db2.gz WZUSHYPBRRGLCJ-AOYPEHQESA-N 1 2 492.668 5.015 40 0 JKABLO Cc1ccc2cc(C[N@H+](C[C@H]3CCCO3)[C@@H](c3nnnn3C3CCCCC3)C(C)C)c(=O)[nH]c2c1C ZINC000033937256 569638667 /nfs/dbraw/zinc/63/86/67/569638667.db2.gz WZUSHYPBRRGLCJ-AOYPEHQESA-N 1 2 492.668 5.015 40 0 JKABLO O=S(=O)(c1ccccc1)c1ccc(CO[C@@H](Cn2cc[nH+]c2)c2ccc(Cl)cc2Cl)cc1 ZINC000077292568 569705571 /nfs/dbraw/zinc/70/55/71/569705571.db2.gz OLNXMTIPPDWVGT-DEOSSOPVSA-N 1 2 487.408 5.981 40 0 in-vitro JKABLO O=[S@@](c1ccccc1)c1ccc(CO[C@H](Cn2cc[nH+]c2)c2ccc(Cl)cc2Cl)cc1 ZINC000077292583 569705678 /nfs/dbraw/zinc/70/56/78/569705678.db2.gz RQFZUKGPRWEUHC-WBBHLRKXSA-N 1 2 471.409 6.315 40 0 in-vitro JKABLO CC[C@@H](c1nnnn1Cc1ccccc1)[N@H+](Cc1ccccc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000084460251 569709230 /nfs/dbraw/zinc/70/92/30/569709230.db2.gz JORKNXLKZARUNW-MHZLTWQESA-N 1 2 478.600 5.025 40 0 JKABLO CC[C@@H](c1nnnn1Cc1ccccc1)[N@@H+](Cc1ccccc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000084460251 569709231 /nfs/dbraw/zinc/70/92/31/569709231.db2.gz JORKNXLKZARUNW-MHZLTWQESA-N 1 2 478.600 5.025 40 0 JKABLO O=C(Nc1cccc(C[NH+]2CCOCC2)c1)c1cc2c(C(F)(F)F)nn(-c3ccccc3)c2s1 ZINC000036617868 569778453 /nfs/dbraw/zinc/77/84/53/569778453.db2.gz YLTCGOAYJAQNSX-UHFFFAOYSA-N 1 2 486.519 5.190 40 0 JKABLO Cc1cc(S(=O)(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c(Cl)cc1Cl ZINC000041091736 569837614 /nfs/dbraw/zinc/83/76/14/569837614.db2.gz MZKPVSSSKKFNAB-UHFFFAOYSA-N 1 2 475.441 5.398 40 0 JKABLO Cc1cc(Br)c(S(=O)(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1C ZINC000041091751 569837646 /nfs/dbraw/zinc/83/76/46/569837646.db2.gz GVRSSOBCMUXWQV-UHFFFAOYSA-N 1 2 499.474 5.162 40 0 JKABLO CC(=O)[C@H]1[C@H](C)C[C@H]2[C@@H]3CC=C4C[C@H](OC(=O)CC[NH+]5CCOCC5)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000118918209 569863332 /nfs/dbraw/zinc/86/33/32/569863332.db2.gz AGJMWDANXUULDD-CMOXJHPISA-N 1 2 471.682 5.035 40 0 JKABLO COc1ccc(CN2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2ccc([NH+](C)C)cc2)cc1 ZINC000223430950 569911201 /nfs/dbraw/zinc/91/12/01/569911201.db2.gz DZAMDPOJVJPYNP-KAYWLYCHSA-N 1 2 483.641 5.120 40 0 JKABLO CCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc([NH+](C)C)cc2)cc1 ZINC000223826630 569924454 /nfs/dbraw/zinc/92/44/54/569924454.db2.gz YJJZSJMJOIEPRO-SXOMAYOGSA-N 1 2 483.641 5.514 40 0 JKABLO COc1ccc(C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)cc1COc1ccc(C)cc1 ZINC000224130244 569934101 /nfs/dbraw/zinc/93/41/01/569934101.db2.gz VFIQIZBVHMNPQR-RMKNXTFCSA-N 1 2 456.586 5.054 40 0 JKABLO COc1ccc(C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)cc1COc1ccccc1Cl ZINC000224140736 569934335 /nfs/dbraw/zinc/93/43/35/569934335.db2.gz JZHBAFZKFSVZLV-JXMROGBWSA-N 1 2 477.004 5.399 40 0 JKABLO Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc([NH+](C)C)cc2)cc1 ZINC000224210515 569936603 /nfs/dbraw/zinc/93/66/03/569936603.db2.gz LBQAWRLVAWDXIX-UIOOFZCWSA-N 1 2 453.615 5.424 40 0 JKABLO Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc([NH+](C)C)cc2)cc1 ZINC000224210559 569936626 /nfs/dbraw/zinc/93/66/26/569936626.db2.gz LBQAWRLVAWDXIX-FTJBHMTQSA-N 1 2 453.615 5.424 40 0 JKABLO Cc1cc(C)cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2ccc([NH+](C)C)cc2)c1 ZINC000224310768 569940029 /nfs/dbraw/zinc/94/00/29/569940029.db2.gz LTEYEPSQPGZEOR-RRPNLBNLSA-N 1 2 467.642 5.732 40 0 JKABLO Cc1cc(C)cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc([NH+](C)C)cc2)c1 ZINC000224310726 569940045 /nfs/dbraw/zinc/94/00/45/569940045.db2.gz LTEYEPSQPGZEOR-SXOMAYOGSA-N 1 2 467.642 5.732 40 0 JKABLO COc1ccc(C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)cc1COc1ccc2ccccc2c1 ZINC000224319985 569940416 /nfs/dbraw/zinc/94/04/16/569940416.db2.gz CMGMTGCIHGGIPP-JXMROGBWSA-N 1 2 492.619 5.899 40 0 JKABLO CCOc1ccc(C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)cc1COc1ccccc1Cl ZINC000224484248 569945951 /nfs/dbraw/zinc/94/59/51/569945951.db2.gz LRVSKDCNPVUWBO-DHZHZOJOSA-N 1 2 491.031 5.789 40 0 JKABLO Cc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc([NH+](C)C)cc2)ccc1F ZINC000224906109 569962811 /nfs/dbraw/zinc/96/28/11/569962811.db2.gz AHXVNEOYQHKHKY-FTJBHMTQSA-N 1 2 471.605 5.563 40 0 JKABLO C[NH+](C)c1ccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2CCCNc2ccccc2)cc1 ZINC000225050908 569971914 /nfs/dbraw/zinc/97/19/14/569971914.db2.gz VUSKAZOJMONBAB-IZLXSDGUSA-N 1 2 496.684 5.413 40 0 JKABLO C[NH+](C)c1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2CCCNc2ccccc2)cc1 ZINC000225050943 569971940 /nfs/dbraw/zinc/97/19/40/569971940.db2.gz VUSKAZOJMONBAB-WUFINQPMSA-N 1 2 496.684 5.413 40 0 JKABLO O=C(COC(=O)C[NH+](Cc1ccccc1)Cc1ccccc1)Nc1ccc(Cl)c(Cl)c1 ZINC000408668394 570005891 /nfs/dbraw/zinc/00/58/91/570005891.db2.gz LAEGJXUUZBNKSU-UHFFFAOYSA-N 1 2 457.357 5.178 40 0 JKABLO O=C(COC(=O)C[NH+](Cc1ccccc1)Cc1ccccc1)Nc1ccc(Cl)cc1Cl ZINC000408669788 570006693 /nfs/dbraw/zinc/00/66/93/570006693.db2.gz ORPJFAQTWQNGEF-UHFFFAOYSA-N 1 2 457.357 5.178 40 0 JKABLO O=C(Nc1ccc(Cl)cc1C(=O)c1ccccc1)C1CC[NH+](Cc2ccc(Cl)cc2F)CC1 ZINC000225584567 570007728 /nfs/dbraw/zinc/00/77/28/570007728.db2.gz RDHZHGQCADFTKR-UHFFFAOYSA-N 1 2 485.386 6.214 40 0 JKABLO S=C(NCc1ccccc1C[NH+]1CCOCC1)Nc1ccc(CSc2ccccc2)cc1 ZINC000225778028 570021152 /nfs/dbraw/zinc/02/11/52/570021152.db2.gz HJLZFXJPDLLNIU-UHFFFAOYSA-N 1 2 463.672 5.298 40 0 JKABLO C=C1[NH+]=C(SCC(=O)Nc2ccccc2C)N[C@H](c2cccc(Cl)c2Cl)C1C(=O)OCC ZINC000408990138 570093819 /nfs/dbraw/zinc/09/38/19/570093819.db2.gz MUAOMVOSSZWUMB-OAQYLSRUSA-N 1 2 492.428 5.511 40 0 JKABLO CCC[C@H](c1nnnn1C1CCCCC1)[N@@H+](Cc1cc2cccc(C)c2[nH]c1=O)C[C@H]1CCCO1 ZINC000253500427 570101713 /nfs/dbraw/zinc/10/17/13/570101713.db2.gz MWYLKDQALXQDIH-DNQXCXABSA-N 1 2 478.641 5.263 40 0 JKABLO CCC[C@H](c1nnnn1C1CCCCC1)[N@H+](Cc1cc2cccc(C)c2[nH]c1=O)C[C@H]1CCCO1 ZINC000253500427 570101714 /nfs/dbraw/zinc/10/17/14/570101714.db2.gz MWYLKDQALXQDIH-DNQXCXABSA-N 1 2 478.641 5.263 40 0 JKABLO CCC[C@@H](c1nnnn1C(C)(C)CC)[N@@H+](Cc1cc2cc(C)c(C)cc2[nH]c1=O)C[C@H]1CCCO1 ZINC000253500498 570102006 /nfs/dbraw/zinc/10/20/06/570102006.db2.gz RSYHNGGXDMIRBQ-VWNXMTODSA-N 1 2 480.657 5.211 40 0 JKABLO CCC[C@@H](c1nnnn1C(C)(C)CC)[N@H+](Cc1cc2cc(C)c(C)cc2[nH]c1=O)C[C@H]1CCCO1 ZINC000253500498 570102007 /nfs/dbraw/zinc/10/20/07/570102007.db2.gz RSYHNGGXDMIRBQ-VWNXMTODSA-N 1 2 480.657 5.211 40 0 JKABLO O=C(c1ccccc1Cn1cc[nH+]c1)N1CCC[C@H](c2cccc(-c3cccc(Cl)c3)n2)C1 ZINC000257221206 570114478 /nfs/dbraw/zinc/11/44/78/570114478.db2.gz DNYQDKOOHORQAW-QFIPXVFZSA-N 1 2 456.977 5.667 40 0 JKABLO Cc1ccc(Oc2cccc([C@H]3CCCN(C(=O)c4cccc(Cn5cc[nH+]c5)c4)C3)n2)cc1 ZINC000257230309 570117110 /nfs/dbraw/zinc/11/71/10/570117110.db2.gz GBRPXIRCHYWTAK-DEOSSOPVSA-N 1 2 452.558 5.447 40 0 JKABLO O=C(c1cccc(Cn2cc[nH+]c2)c1)N1CCC[C@H]1c1cncc(Oc2ccc(Cl)cc2)n1 ZINC000257246011 570121929 /nfs/dbraw/zinc/12/19/29/570121929.db2.gz ISBHJKYADHGNLC-QHCPKHFHSA-N 1 2 459.937 5.144 40 0 JKABLO O=C(c1cccc(Cn2cc[nH+]c2)c1)N1CCC(c2cccc(Oc3cccc(F)c3)n2)CC1 ZINC000257270121 570129727 /nfs/dbraw/zinc/12/97/27/570129727.db2.gz MSWBMVLQVBVXPF-UHFFFAOYSA-N 1 2 456.521 5.278 40 0 JKABLO Cc1cc(Oc2ccccc2C)nc([C@H]2CCCN(C(=O)c3ccccc3Cn3cc[nH+]c3)C2)n1 ZINC000257284160 570133966 /nfs/dbraw/zinc/13/39/66/570133966.db2.gz PBKUNNCUVRYGJO-QHCPKHFHSA-N 1 2 467.573 5.150 40 0 JKABLO COc1ccccc1-c1cccc([C@H]2CCCN(C(=O)c3cccc(Cn4cc[nH+]c4)c3)C2)n1 ZINC000257302528 570139151 /nfs/dbraw/zinc/13/91/51/570139151.db2.gz SDFPEEQPMTYFJK-QHCPKHFHSA-N 1 2 452.558 5.022 40 0 JKABLO Cc1[nH+]c2ccccc2n1CCCC(=O)N1CCCC[C@@H]1c1n[nH]cc1-c1ccc(C(F)(F)F)cc1 ZINC000257308664 570140982 /nfs/dbraw/zinc/14/09/82/570140982.db2.gz TXPPNPWPZDBTDA-XMMPIXPASA-N 1 2 495.549 6.288 40 0 JKABLO CC(=O)c1ccc(NC(=O)C[N@@H+]2CC[C@H]3O[C@H]4c5cc(Cl)ccc5OC(C)(C)[C@@H]4C[C@H]3C2)cc1 ZINC000257311081 570141735 /nfs/dbraw/zinc/14/17/35/570141735.db2.gz UHVVCBFSTPWVFW-WOYNUSMLSA-N 1 2 483.008 5.120 40 0 JKABLO CC(=O)c1ccc(NC(=O)C[N@H+]2CC[C@H]3O[C@H]4c5cc(Cl)ccc5OC(C)(C)[C@@H]4C[C@H]3C2)cc1 ZINC000257311081 570141736 /nfs/dbraw/zinc/14/17/36/570141736.db2.gz UHVVCBFSTPWVFW-WOYNUSMLSA-N 1 2 483.008 5.120 40 0 JKABLO CCCCC[C@]1(O)CC[N@H+](CC(=O)Nc2nc(-c3ccc(C)cc3)cs2)C[C@@H]1Oc1ccccc1 ZINC000257315184 570143060 /nfs/dbraw/zinc/14/30/60/570143060.db2.gz VAHAXCFBXAUTMP-LSYYVWMOSA-N 1 2 493.673 5.522 40 0 JKABLO CCCCC[C@]1(O)CC[N@@H+](CC(=O)Nc2nc(-c3ccc(C)cc3)cs2)C[C@@H]1Oc1ccccc1 ZINC000257315184 570143061 /nfs/dbraw/zinc/14/30/61/570143061.db2.gz VAHAXCFBXAUTMP-LSYYVWMOSA-N 1 2 493.673 5.522 40 0 JKABLO Cc1[nH+]c2ccccc2n1CCCC(=O)N1CCCC[C@H]1c1nc(N)ncc1-c1ccc(Cl)cc1 ZINC000257316624 570143438 /nfs/dbraw/zinc/14/34/38/570143438.db2.gz VGJDLOACSLRKBH-DEOSSOPVSA-N 1 2 489.023 5.571 40 0 JKABLO CCOc1cc([C@H]2Nc3ccccc3-c3c(=O)[nH]c(SCc4ccccc4Cl)n[n+]32)ccc1O ZINC000261362111 570167319 /nfs/dbraw/zinc/16/73/19/570167319.db2.gz CDQGOIZECXMTLX-QHCPKHFHSA-O 1 2 493.996 5.159 40 0 JKABLO CCCCCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@H]2c1ccccc1OCC ZINC000261361979 570167371 /nfs/dbraw/zinc/16/73/71/570167371.db2.gz BODHFBOXZPVMPO-RUZDIDTESA-O 1 2 479.626 5.121 40 0 JKABLO CCCCCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@@H]2c1ccccc1OCC ZINC000261361980 570167411 /nfs/dbraw/zinc/16/74/11/570167411.db2.gz BODHFBOXZPVMPO-VWLOTQADSA-O 1 2 479.626 5.121 40 0 JKABLO CSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N[C@@H]2c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 ZINC000261363821 570168161 /nfs/dbraw/zinc/16/81/61/570168161.db2.gz WOYIMIRAADJSBK-NRFANRHFSA-O 1 2 451.616 5.132 40 0 JKABLO CCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@@H]2c1ccc(-c2ccc(Cl)cc2)o1 ZINC000261363954 570168284 /nfs/dbraw/zinc/16/82/84/570168284.db2.gz IROMXFDXFLNUDF-QHCPKHFHSA-O 1 2 479.969 5.076 40 0 JKABLO CCCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@@H]2c1ccc(-c2ccc(F)cc2)o1 ZINC000261364743 570168744 /nfs/dbraw/zinc/16/87/44/570168744.db2.gz NKMUFVQONOENCT-VWLOTQADSA-O 1 2 491.568 5.341 40 0 JKABLO CCCC(=O)N1c2ccccc2-c2c(=O)[nH]c(SC)n[n+]2[C@H]1c1c(OCC)ccc2ccccc21 ZINC000261364700 570168781 /nfs/dbraw/zinc/16/87/81/570168781.db2.gz NAVKPRSJRDPQQJ-SANMLTNESA-O 1 2 487.605 5.104 40 0 JKABLO CCCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@H]2c1ccc(-c2ccc(F)cc2)o1 ZINC000261364742 570168813 /nfs/dbraw/zinc/16/88/13/570168813.db2.gz NKMUFVQONOENCT-RUZDIDTESA-O 1 2 491.568 5.341 40 0 JKABLO CCCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@H]2c1ccc(OC2CCCC2)cc1 ZINC000261365128 570168928 /nfs/dbraw/zinc/16/89/28/570168928.db2.gz QEOIXVHYFHMAJU-AREMUKBSSA-O 1 2 491.637 5.264 40 0 JKABLO CCC(=O)N1c2ccccc2-c2c(=O)[nH]c(SC)n[n+]2[C@@H]1c1ccc(-c2cccc(Cl)c2)o1 ZINC000261365657 570169189 /nfs/dbraw/zinc/16/91/89/570169189.db2.gz ULDVRKURVTTXHV-HSZRJFAPSA-O 1 2 479.969 5.076 40 0 JKABLO CSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(=O)c1ccccc1)[C@H]2c1cccc2ccccc21 ZINC000261365755 570169260 /nfs/dbraw/zinc/16/92/60/570169260.db2.gz VCXWLLLVZOSBLI-AREMUKBSSA-O 1 2 477.569 5.219 40 0 JKABLO CCCC(=O)N1c2ccccc2-c2c(=O)[nH]c(SCC)n[n+]2[C@H]1c1ccccc1OC1CCCC1 ZINC000261366189 570169378 /nfs/dbraw/zinc/16/93/78/570169378.db2.gz XUTXXNNQGAEVEM-SANMLTNESA-O 1 2 491.637 5.264 40 0 JKABLO CCOc1cc([C@@H]2Nc3ccccc3-c3c(=O)[nH]c(SCc4ccc(Cl)cc4)n[n+]32)ccc1O ZINC000261366002 570169437 /nfs/dbraw/zinc/16/94/37/570169437.db2.gz WWOZYRVOLLMBBS-HSZRJFAPSA-O 1 2 493.996 5.159 40 0 JKABLO CNc1nc(Nc2ccc(Cl)c(C(F)(F)F)c2)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000328963736 570179502 /nfs/dbraw/zinc/17/95/02/570179502.db2.gz BPQOPOHUANDMML-UHFFFAOYSA-N 1 2 462.781 5.344 40 0 JKABLO CC(C)c1nc(Nc2cccc(Cl)c2)cc(N2CCc3ccc(OC(F)(F)F)cc3C2)[nH+]1 ZINC000328962570 570179567 /nfs/dbraw/zinc/17/95/67/570179567.db2.gz BJHNHODCHJXGLE-UHFFFAOYSA-N 1 2 462.903 6.458 40 0 JKABLO CC(C)c1nc(N2CCc3ccc(OC(F)(F)F)cc3C2)cc(Nc2cccc(Cl)c2)[nH+]1 ZINC000328962570 570179568 /nfs/dbraw/zinc/17/95/68/570179568.db2.gz BJHNHODCHJXGLE-UHFFFAOYSA-N 1 2 462.903 6.458 40 0 JKABLO FC(F)(F)Oc1cccc(-c2cc(NCc3cccc(Cl)c3)nc(NC3CCCC3)[nH+]2)c1 ZINC000328967272 570179837 /nfs/dbraw/zinc/17/98/37/570179837.db2.gz CSRHJCJKEOBUED-UHFFFAOYSA-N 1 2 462.903 5.506 40 0 JKABLO CC[C@@H](C)Nc1nc(NCc2cccc(Br)c2)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000328986224 570180676 /nfs/dbraw/zinc/18/06/76/570180676.db2.gz HWWMUOYISZAVIK-CQSZACIVSA-N 1 2 495.343 5.471 40 0 JKABLO CC(C)(C)Nc1nc(NCc2ccccc2Br)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000328991891 570180761 /nfs/dbraw/zinc/18/07/61/570180761.db2.gz ISRFIKAISGRTGU-UHFFFAOYSA-N 1 2 495.343 6.627 40 0 JKABLO CNc1nc(Nc2ccc(Br)cc2C)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000329004405 570181190 /nfs/dbraw/zinc/18/11/90/570181190.db2.gz KSANVPCIYBETAB-UHFFFAOYSA-N 1 2 453.262 5.898 40 0 JKABLO CNc1nc(Nc2ccc(OC(F)(F)F)c(Cl)c2)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000329001414 570181082 /nfs/dbraw/zinc/18/10/82/570181082.db2.gz KEGREUPKQCQFKF-UHFFFAOYSA-N 1 2 478.780 5.223 40 0 JKABLO CC(C)(C)Nc1nc(NCc2ccc(Br)cc2)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000329018422 570181885 /nfs/dbraw/zinc/18/18/85/570181885.db2.gz NSAKCAZHWFHEFG-UHFFFAOYSA-N 1 2 495.343 6.627 40 0 JKABLO CC(C)[C@@H](CO)Nc1nc(Nc2ccc(OC(F)(F)F)c(Cl)c2)cc(-c2ccccc2)[nH+]1 ZINC000329040821 570182740 /nfs/dbraw/zinc/18/27/40/570182740.db2.gz SGITYKKVJCLLBE-GOSISDBHSA-N 1 2 466.891 5.868 40 0 JKABLO CNc1nc(Nc2ccc(OC(F)(F)F)cc2C)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000329056131 570183168 /nfs/dbraw/zinc/18/31/68/570183168.db2.gz VRKPMUUZKOWQJM-UHFFFAOYSA-N 1 2 458.362 6.035 40 0 JKABLO CC[C@H](C)Nc1nc(Nc2ccc(C(F)(F)F)cc2Br)cc(-c2ccccc2)[nH+]1 ZINC000329063851 570183391 /nfs/dbraw/zinc/18/33/91/570183391.db2.gz XFRWXEONISWQJY-ZDUSSCGKSA-N 1 2 465.317 5.723 40 0 JKABLO CC(C)[C@@H](CO)Nc1nc(Nc2ccc(Br)c(C(F)(F)F)c2)cc(-c2ccccc2)[nH+]1 ZINC000329063466 570183402 /nfs/dbraw/zinc/18/34/02/570183402.db2.gz XEWTUZOWSLXPOX-LJQANCHMSA-N 1 2 495.343 6.097 40 0 JKABLO CC[C@@H](C)Nc1nc(NCc2ccccc2Br)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000329070305 570183882 /nfs/dbraw/zinc/18/38/82/570183882.db2.gz ZGAAZDWRJRGZNQ-CQSZACIVSA-N 1 2 495.343 5.471 40 0 JKABLO