smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc(NC(=S)N(CC[NH+]2CCOCC2)Cc2cc3cc(C)cc(C)c3[nH]c2=O)cc1 ZINC000000875503 193939214 /nfs/dbraw/zinc/93/92/14/193939214.db2.gz LACWEBDXEBNHMS-UHFFFAOYSA-N 1 2 464.635 3.985 40 0 JHABLO CCOC(=O)Cn1nnnc1[C@H](CC)[N@H+](Cc1ccccc1)Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000001375455 194110133 /nfs/dbraw/zinc/11/01/33/194110133.db2.gz MHQCHZNRBCZRDV-QHCPKHFHSA-N 1 2 488.592 3.848 40 0 JHABLO CCOC(=O)Cn1nnnc1[C@H](CC)[N@@H+](Cc1ccccc1)Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000001375455 194110134 /nfs/dbraw/zinc/11/01/34/194110134.db2.gz MHQCHZNRBCZRDV-QHCPKHFHSA-N 1 2 488.592 3.848 40 0 JHABLO CCOC(=O)Cn1nnnc1[C@@H](CC)[N@H+](Cc1cccs1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000001375108 194109335 /nfs/dbraw/zinc/10/93/35/194109335.db2.gz ZWAUJKXRSSTKDF-JOCHJYFZSA-N 1 2 494.621 3.910 40 0 JHABLO CCOC(=O)Cn1nnnc1[C@@H](CC)[N@@H+](Cc1cccs1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000001375108 194109338 /nfs/dbraw/zinc/10/93/38/194109338.db2.gz ZWAUJKXRSSTKDF-JOCHJYFZSA-N 1 2 494.621 3.910 40 0 JHABLO Cc1nc2cc(C(F)(F)F)ccc2n1C1CC[NH+](Cc2nnnn2Cc2ccc3c(c2)OCO3)CC1 ZINC000001380364 194112837 /nfs/dbraw/zinc/11/28/37/194112837.db2.gz HRVJDGBVFQGLAE-UHFFFAOYSA-N 1 2 499.497 3.964 40 0 JHABLO COc1ccc(Cn2nnnc2[C@H](c2cc3ccc(C)c(C)c3[nH]c2=O)[NH+]2CCCCC2)cc1 ZINC000006442382 194426225 /nfs/dbraw/zinc/42/62/25/194426225.db2.gz OBRVVTOWJOBVLC-DEOSSOPVSA-N 1 2 458.566 3.764 40 0 JHABLO O=C(Nc1ccc(S(=O)(=O)NCCCn2cc[nH+]c2)cc1F)c1ccc(Cl)cc1Cl ZINC000008810604 194481563 /nfs/dbraw/zinc/48/15/63/194481563.db2.gz MLYOJROKBFDHMW-UHFFFAOYSA-N 1 2 471.341 3.950 40 0 JHABLO COc1ccc(Cn2nnnc2[C@H](c2cc3ccc(C)cc3[nH]c2=O)[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000012711132 195095357 /nfs/dbraw/zinc/09/53/57/195095357.db2.gz AHFDJYBTLHQISK-KOSHJBKYSA-N 1 2 458.566 3.701 40 0 JHABLO COc1ccc(Cn2nnnc2[C@H](c2cc3ccc(C)cc3[nH]c2=O)[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000012711132 195095358 /nfs/dbraw/zinc/09/53/58/195095358.db2.gz AHFDJYBTLHQISK-KOSHJBKYSA-N 1 2 458.566 3.701 40 0 JHABLO CCOc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@](CCSC)(C(=O)OC)[NH2+][C@@H]3c2ccccc2C)cc1 ZINC000012497830 521039680 /nfs/dbraw/zinc/03/96/80/521039680.db2.gz IBZBIEOVNWOVDH-UXGLMHHASA-N 1 2 482.602 3.509 40 0 JHABLO CC[C@H](c1nnnn1C(C)(C)CC)N(CC[NH+]1CCOCC1)Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000019500579 522981774 /nfs/dbraw/zinc/98/17/74/522981774.db2.gz BUMOXCJLHYRYAS-HSZRJFAPSA-N 1 2 495.672 3.562 40 0 JHABLO CCc1ccc(N(CC(=O)NCc2ccc(-n3cc[nH+]c3)cc2)S(=O)(=O)c2ccccc2)cc1 ZINC000044900717 523959615 /nfs/dbraw/zinc/95/96/15/523959615.db2.gz GXKROMGJLVCKOR-UHFFFAOYSA-N 1 2 474.586 3.946 40 0 JHABLO Cc1cc2cc(CN(CC[NH+]3CCOCC3)C(=S)Nc3ccccc3)c(=O)[nH]c2cc1C ZINC000000878859 553814707 /nfs/dbraw/zinc/81/47/07/553814707.db2.gz DBIVZUUKAQWCLW-UHFFFAOYSA-N 1 2 450.608 3.676 40 0 JHABLO CCOc1ccc2[nH]c(=O)c(CN(CC[NH+]3CCOCC3)C(=S)Nc3ccc(C)cc3)cc2c1 ZINC000000879380 553815609 /nfs/dbraw/zinc/81/56/09/553815609.db2.gz UGZWBNLFDXEBHQ-UHFFFAOYSA-N 1 2 480.634 3.766 40 0 JHABLO COc1ccc2cc(C[N@H+](CCc3ccccc3)Cc3nnnn3C3CCCC3)c(=O)[nH]c2c1 ZINC000000927541 553864511 /nfs/dbraw/zinc/86/45/11/553864511.db2.gz CLIMVRNSDOCMLD-UHFFFAOYSA-N 1 2 458.566 3.883 40 0 JHABLO COc1ccc2cc(C[N@@H+](CCc3ccccc3)Cc3nnnn3C3CCCC3)c(=O)[nH]c2c1 ZINC000000927541 553864513 /nfs/dbraw/zinc/86/45/13/553864513.db2.gz CLIMVRNSDOCMLD-UHFFFAOYSA-N 1 2 458.566 3.883 40 0 JHABLO CCc1ccc2[nH]c(=O)c([C@H](c3nnnn3Cc3ccc(OC)cc3)[N@@H+]3CCC[C@H](C)C3)cc2c1 ZINC000006198346 554519517 /nfs/dbraw/zinc/51/95/17/554519517.db2.gz ICJOGPUYDGBDQW-AVRWGWEMSA-N 1 2 472.593 3.955 40 0 JHABLO CCc1ccc2[nH]c(=O)c([C@H](c3nnnn3Cc3ccc(OC)cc3)[N@H+]3CCC[C@H](C)C3)cc2c1 ZINC000006198346 554519520 /nfs/dbraw/zinc/51/95/20/554519520.db2.gz ICJOGPUYDGBDQW-AVRWGWEMSA-N 1 2 472.593 3.955 40 0 JHABLO COc1ccc(Cn2nnnc2[C@H](c2cc3c(C)cc(C)cc3[nH]c2=O)[NH+]2CCCCC2)cc1 ZINC000006301736 554530164 /nfs/dbraw/zinc/53/01/64/554530164.db2.gz BZWQCTRAYMECQU-DEOSSOPVSA-N 1 2 458.566 3.764 40 0 JHABLO CC[C@@H](c1nnnn1Cc1ccccc1)[N@@H+](Cc1cc2cc(OC)ccc2[nH]c1=O)C[C@H]1CCCO1 ZINC000008034310 554563873 /nfs/dbraw/zinc/56/38/73/554563873.db2.gz GGNAEMSQXQYFTF-NOZRDPDXSA-N 1 2 488.592 3.704 40 0 JHABLO CC[C@@H](c1nnnn1Cc1ccccc1)[N@H+](Cc1cc2cc(OC)ccc2[nH]c1=O)C[C@H]1CCCO1 ZINC000008034310 554563874 /nfs/dbraw/zinc/56/38/74/554563874.db2.gz GGNAEMSQXQYFTF-NOZRDPDXSA-N 1 2 488.592 3.704 40 0 JHABLO CCOc1ccc2[nH]c(=O)c(C[N@H+](C[C@@H]3CCCO3)[C@@H](CC)c3nnnn3Cc3ccco3)cc2c1 ZINC000013495535 555408208 /nfs/dbraw/zinc/40/82/08/555408208.db2.gz PZIWFWKKHQCSNG-URXFXBBRSA-N 1 2 492.580 3.687 40 0 JHABLO CCOc1ccc2[nH]c(=O)c(C[N@@H+](C[C@@H]3CCCO3)[C@@H](CC)c3nnnn3Cc3ccco3)cc2c1 ZINC000013495535 555408210 /nfs/dbraw/zinc/40/82/10/555408210.db2.gz PZIWFWKKHQCSNG-URXFXBBRSA-N 1 2 492.580 3.687 40 0 JHABLO COCCn1nnnc1[C@@H](C(C)C)[N@H+](Cc1ccccc1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000013498589 555422459 /nfs/dbraw/zinc/42/24/59/555422459.db2.gz PTXNEAXMDWOCFT-XMMPIXPASA-N 1 2 460.582 3.869 40 0 JHABLO COCCn1nnnc1[C@@H](C(C)C)[N@@H+](Cc1ccccc1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000013498589 555422462 /nfs/dbraw/zinc/42/24/62/555422462.db2.gz PTXNEAXMDWOCFT-XMMPIXPASA-N 1 2 460.582 3.869 40 0 JHABLO COCCn1nnnc1[C@H](C(C)C)[N@H+](Cc1ccco1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000013498979 555426727 /nfs/dbraw/zinc/42/67/27/555426727.db2.gz XKVQKUZNELPESS-QHCPKHFHSA-N 1 2 464.570 3.770 40 0 JHABLO COCCn1nnnc1[C@H](C(C)C)[N@@H+](Cc1ccco1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000013498979 555426730 /nfs/dbraw/zinc/42/67/30/555426730.db2.gz XKVQKUZNELPESS-QHCPKHFHSA-N 1 2 464.570 3.770 40 0 JHABLO Cc1ccc2[nH]c(=O)c(C[N@@H+](C[C@@H]3CCCO3)[C@H](c3nnnn3C(C)(C)C)C(C)C)cc2c1 ZINC000013500246 555438138 /nfs/dbraw/zinc/43/81/38/555438138.db2.gz FQPLZEAGPJGOKR-UNMCSNQZSA-N 1 2 452.603 3.956 40 0 JHABLO Cc1ccc2[nH]c(=O)c(C[N@H+](C[C@@H]3CCCO3)[C@H](c3nnnn3C(C)(C)C)C(C)C)cc2c1 ZINC000013500246 555438140 /nfs/dbraw/zinc/43/81/40/555438140.db2.gz FQPLZEAGPJGOKR-UNMCSNQZSA-N 1 2 452.603 3.956 40 0 JHABLO CCOC(=O)Cn1nnnc1[C@H](C(C)C)[N@H+](Cc1ccccc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013500312 555439007 /nfs/dbraw/zinc/43/90/07/555439007.db2.gz BYSMXIOUPNPMSX-VWLOTQADSA-N 1 2 488.592 3.786 40 0 JHABLO CCOC(=O)Cn1nnnc1[C@H](C(C)C)[N@@H+](Cc1ccccc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013500312 555439008 /nfs/dbraw/zinc/43/90/08/555439008.db2.gz BYSMXIOUPNPMSX-VWLOTQADSA-N 1 2 488.592 3.786 40 0 JHABLO CCC[C@H](c1nnnn1CC(=O)OCC)[N@H+](Cc1cccs1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013500968 555445963 /nfs/dbraw/zinc/44/59/63/555445963.db2.gz PTKNOHIYMKWSGK-JOCHJYFZSA-N 1 2 494.621 3.991 40 0 JHABLO CCC[C@H](c1nnnn1CC(=O)OCC)[N@@H+](Cc1cccs1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013500968 555445967 /nfs/dbraw/zinc/44/59/67/555445967.db2.gz PTKNOHIYMKWSGK-JOCHJYFZSA-N 1 2 494.621 3.991 40 0 JHABLO CCC[C@@H](c1nnnn1CC(=O)OCC)[N@H+](Cc1cccs1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013500969 555446036 /nfs/dbraw/zinc/44/60/36/555446036.db2.gz PTKNOHIYMKWSGK-QFIPXVFZSA-N 1 2 494.621 3.991 40 0 JHABLO CCC[C@@H](c1nnnn1CC(=O)OCC)[N@@H+](Cc1cccs1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013500969 555446038 /nfs/dbraw/zinc/44/60/38/555446038.db2.gz PTKNOHIYMKWSGK-QFIPXVFZSA-N 1 2 494.621 3.991 40 0 JHABLO CCC[C@H](c1nnnn1CCc1ccc(OC)c(OC)c1)[NH+]1CCN(c2ccccc2)CC1 ZINC000013505539 555467011 /nfs/dbraw/zinc/46/70/11/555467011.db2.gz VDRKTHSDTSWDFO-JOCHJYFZSA-N 1 2 450.587 3.596 40 0 JHABLO COc1ccc(CCn2nnnc2[C@H](CC(C)C)[NH+]2CCN(c3ccccc3)CC2)cc1OC ZINC000013505576 555467234 /nfs/dbraw/zinc/46/72/34/555467234.db2.gz JHXOWDTUGCPNKU-QHCPKHFHSA-N 1 2 464.614 3.842 40 0 JHABLO COc1ccc(N(CC(=O)NCc2ccccc2-n2cc[nH+]c2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000020048602 555618367 /nfs/dbraw/zinc/61/83/67/555618367.db2.gz BDJIGZQSGCHHOI-UHFFFAOYSA-N 1 2 490.585 3.701 40 0 JHABLO COc1c(Cl)cc(C(=O)NC(=S)Nc2ccc(C[NH+]3CCOCC3)cc2)cc1Cl ZINC000020342390 555777540 /nfs/dbraw/zinc/77/75/40/555777540.db2.gz ZXJNQMDTICQCTN-UHFFFAOYSA-N 1 2 454.379 3.961 40 0 JHABLO O=C(c1c[nH]c2ccccc12)[C@@H](O)[C@@H](c1ccc(Cl)cc1)[NH+]1CCN(c2ncccn2)CC1 ZINC000015017726 555858760 /nfs/dbraw/zinc/85/87/60/555858760.db2.gz NDYCSJAWPGSONL-VWNXMTODSA-N 1 2 461.953 3.718 40 0 JHABLO O=C(NC1CC[NH+]([C@@H]2CC(=O)N(c3cc(Cl)cc(Cl)c3)C2=O)CC1)c1ccc(F)cc1 ZINC000015024128 555864699 /nfs/dbraw/zinc/86/46/99/555864699.db2.gz LYDQSNLWCZAUHQ-LJQANCHMSA-N 1 2 464.324 3.659 40 0 JHABLO O=C(CSCc1cccc(Br)c1)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000026538842 556256370 /nfs/dbraw/zinc/25/63/70/556256370.db2.gz QRWPLOWAWIJISA-UHFFFAOYSA-N 1 2 463.397 3.755 40 0 JHABLO COC(=O)[C@@]1(Cc2ccccc2)[NH2+][C@@H](c2ccccc2C)[C@@H]2C(=O)N(c3cccc(C(C)=O)c3)C(=O)[C@H]21 ZINC000019237004 556337416 /nfs/dbraw/zinc/33/74/16/556337416.db2.gz GFNLWRVFGHIACM-MGLAESSXSA-N 1 2 496.563 3.802 40 0 JHABLO CC[N@H+](Cc1ccccc1)[C@H](c1nnnn1C(C)(C)C)c1cc2cc(OC)c(OC)cc2[nH]c1=O ZINC000019526610 556351085 /nfs/dbraw/zinc/35/10/85/556351085.db2.gz DOXYUEBLCAEXBG-QHCPKHFHSA-N 1 2 476.581 3.898 40 0 JHABLO CC[N@@H+](Cc1ccccc1)[C@H](c1nnnn1C(C)(C)C)c1cc2cc(OC)c(OC)cc2[nH]c1=O ZINC000019526610 556351088 /nfs/dbraw/zinc/35/10/88/556351088.db2.gz DOXYUEBLCAEXBG-QHCPKHFHSA-N 1 2 476.581 3.898 40 0 JHABLO CCOC(=O)[C@@H]1[C@@H](c2ccc(OC)c(O)c2)c2cc3c(cc2O[C@@]1(C)[NH+]1CCCC1)OCO3 ZINC000031772120 556402943 /nfs/dbraw/zinc/40/29/43/556402943.db2.gz XXXMYHVZBRTHKQ-SONWIMMPSA-N 1 2 455.507 3.645 40 0 JHABLO Cc1cccc(C)c1NC(=O)CSC1=[NH+][C@H]2CS(=O)(=O)C[C@@H]2N1Cc1ccc(Cl)cc1 ZINC000032640082 556460475 /nfs/dbraw/zinc/46/04/75/556460475.db2.gz BKBWGNIVVDKNRF-OALUTQOASA-N 1 2 478.039 3.666 40 0 JHABLO CCc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C[C@H]3CCCO3)[N@H+](CC)Cc3ccccc3)cc2c1 ZINC000033936727 569638131 /nfs/dbraw/zinc/63/81/31/569638131.db2.gz GATRJMKVHUYZRO-RDGATRHJSA-N 1 2 472.593 3.868 40 0 JHABLO CCc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C[C@H]3CCCO3)[N@@H+](CC)Cc3ccccc3)cc2c1 ZINC000033936727 569638133 /nfs/dbraw/zinc/63/81/33/569638133.db2.gz GATRJMKVHUYZRO-RDGATRHJSA-N 1 2 472.593 3.868 40 0 JHABLO COc1ccc2cc(C[N@H+](C[C@@H]3CCCO3)[C@@H](c3nnnn3C(C)(C)C)C(C)C)c(=O)[nH]c2c1 ZINC000033937237 569638607 /nfs/dbraw/zinc/63/86/07/569638607.db2.gz GKBGIJIECCDUGP-RBBKRZOGSA-N 1 2 468.602 3.657 40 0 JHABLO COc1ccc2cc(C[N@@H+](C[C@@H]3CCCO3)[C@@H](c3nnnn3C(C)(C)C)C(C)C)c(=O)[nH]c2c1 ZINC000033937237 569638608 /nfs/dbraw/zinc/63/86/08/569638608.db2.gz GKBGIJIECCDUGP-RBBKRZOGSA-N 1 2 468.602 3.657 40 0 JHABLO CCC[C@@H](c1nnnn1C[C@H]1CCCO1)[N@@H+](Cc1cc2cc(C)c(C)cc2[nH]c1=O)C[C@@H]1CCCO1 ZINC000033937271 569638798 /nfs/dbraw/zinc/63/87/98/569638798.db2.gz CMSCSGARONMOKD-ARNLJNQMSA-N 1 2 494.640 3.833 40 0 JHABLO CCC[C@@H](c1nnnn1C[C@H]1CCCO1)[N@H+](Cc1cc2cc(C)c(C)cc2[nH]c1=O)C[C@@H]1CCCO1 ZINC000033937271 569638799 /nfs/dbraw/zinc/63/87/99/569638799.db2.gz CMSCSGARONMOKD-ARNLJNQMSA-N 1 2 494.640 3.833 40 0 JHABLO O=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000039773394 569811894 /nfs/dbraw/zinc/81/18/94/569811894.db2.gz AJUSGPSVFVDUKN-UHFFFAOYSA-N 1 2 474.583 3.934 40 0 JHABLO COCc1nn2c(nnc(C(=O)N3CC[NH+](Cc4ccccc4)CC3)c2C)c1-c1cccc(Cl)c1 ZINC000040385195 569824323 /nfs/dbraw/zinc/82/43/23/569824323.db2.gz UMNPOZVOATVIAW-UHFFFAOYSA-N 1 2 490.995 3.858 40 0 JHABLO CNc1nc(N2C[C@H](C(=O)NC3CCCCC3)CC[C@@H]2C)cc(-c2ccc3c(N)n[nH]c3c2)[nH+]1 ZINC000208012619 569874840 /nfs/dbraw/zinc/87/48/40/569874840.db2.gz QLPHOXTXAKOFMU-DOTOQJQBSA-N 1 2 462.602 3.698 40 0 JHABLO CCCC(=O)N(Cc1ccc(Cl)cc1)[C@@H](Cc1ccccc1)C(=O)NCC[NH+]1CCOCC1 ZINC000223129754 569900375 /nfs/dbraw/zinc/90/03/75/569900375.db2.gz VTZRFZZHFXVCSA-DEOSSOPVSA-N 1 2 472.029 3.528 40 0 JHABLO Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CC[NH+]2CCOCC2)c(C)n1C1CCCC1 ZINC000223136785 569900682 /nfs/dbraw/zinc/90/06/82/569900682.db2.gz PJYGOVZOSNOBQU-DNQXCXABSA-N 1 2 453.656 3.920 40 0 JHABLO Cc1cccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC[NH+]2CCOCC2)c1 ZINC000223175911 569902167 /nfs/dbraw/zinc/90/21/67/569902167.db2.gz KOEPLFGINUHSFY-RPBOFIJWSA-N 1 2 461.635 3.876 40 0 JHABLO Fc1cccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC[NH+]2CCOCC2)c1 ZINC000223194831 569902878 /nfs/dbraw/zinc/90/28/78/569902878.db2.gz DTLLLJMWYIRVQU-BJKOFHAPSA-N 1 2 465.598 3.706 40 0 JHABLO O=C(CCc1ccccc1)N(Cc1ccccc1)[C@@H](C(=O)NCC[NH+]1CCOCC1)c1ccccc1 ZINC000223359181 569908617 /nfs/dbraw/zinc/90/86/17/569908617.db2.gz PZLOHGBGWHHQAU-GDLZYMKVSA-N 1 2 485.628 3.838 40 0 JHABLO Cc1ccc(NC(=O)c2cc(Br)ccc2Cl)cc1S(=O)(=O)N1CC[NH+](C)CC1 ZINC000225074710 569973531 /nfs/dbraw/zinc/97/35/31/569973531.db2.gz JGJWRRSDDVSBJN-UHFFFAOYSA-N 1 2 486.819 3.599 40 0 JHABLO C[C@H](C(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1)N1c2cccc3cccc(c23)S1(=O)=O ZINC000408620583 569977849 /nfs/dbraw/zinc/97/78/49/569977849.db2.gz PLEWFLFCVCEXIQ-JRMCHAMMSA-N 1 2 461.587 3.595 40 0 JHABLO Cc1ccc(NC(=O)CCc2ccc(Cl)cc2Cl)cc1S(=O)(=O)N1CC[NH+](C)CC1 ZINC000225379339 569993999 /nfs/dbraw/zinc/99/39/99/569993999.db2.gz OQEYOPSHMDRFMJ-UHFFFAOYSA-N 1 2 470.422 3.809 40 0 JHABLO CCN(c1ccc(C(=O)NCCCn2cc[nH+]c2)cc1)S(=O)(=O)c1ccc(SC)cc1 ZINC000408700742 570021285 /nfs/dbraw/zinc/02/12/85/570021285.db2.gz LFEPYLPGUVYHCN-UHFFFAOYSA-N 1 2 458.609 3.640 40 0 JHABLO CN(C[C@]1(O)CCCN(c2cc[nH+]c3ccncc32)C1)C(=O)CCc1nc2cc(Cl)ccc2[nH]1 ZINC000257205787 570109615 /nfs/dbraw/zinc/10/96/15/570109615.db2.gz BANUJMFUGVLDBZ-RUZDIDTESA-N 1 2 478.984 3.582 40 0 JHABLO COc1ccccc1[C@@H]1CN(C(=O)C2(C)CCN(C(=O)c3cccc(F)c3)CC2)CC[N@@H+]1C ZINC000257231897 570117567 /nfs/dbraw/zinc/11/75/67/570117567.db2.gz GIQHIUNGCDFSOU-QFIPXVFZSA-N 1 2 453.558 3.592 40 0 JHABLO COc1ccccc1[C@@H]1CN(C(=O)C2(C)CCN(C(=O)c3cccc(F)c3)CC2)CC[N@H+]1C ZINC000257231897 570117569 /nfs/dbraw/zinc/11/75/69/570117569.db2.gz GIQHIUNGCDFSOU-QFIPXVFZSA-N 1 2 453.558 3.592 40 0 JHABLO Cc1nc(N)cc([C@@]2(C)CCCN(C(=O)C3(C)CCN(C(=O)CCc4ccccc4)CC3)C2)[nH+]1 ZINC000257251831 570123721 /nfs/dbraw/zinc/12/37/21/570123721.db2.gz JSLHHBCAFCXLGY-MHZLTWQESA-N 1 2 463.626 3.509 40 0 JHABLO O=C(c1cccc(OCC[NH+]2CCOCC2)c1)N1CCC[C@@H](Cc2cccn3nccc23)CC1 ZINC000257252563 570123820 /nfs/dbraw/zinc/12/38/20/570123820.db2.gz JVEYLHAACKLXLB-JOCHJYFZSA-N 1 2 462.594 3.530 40 0 JHABLO CCCc1ccc(C[N@@H+]2CCO[C@@](COc3ccc(Cl)cc3)(CC(=O)N3CCOCC3)C2)o1 ZINC000257258789 570125842 /nfs/dbraw/zinc/12/58/42/570125842.db2.gz KVONOXWPJZYECT-VWLOTQADSA-N 1 2 477.001 3.784 40 0 JHABLO CCCc1ccc(C[N@H+]2CCO[C@@](COc3ccc(Cl)cc3)(CC(=O)N3CCOCC3)C2)o1 ZINC000257258789 570125843 /nfs/dbraw/zinc/12/58/43/570125843.db2.gz KVONOXWPJZYECT-VWLOTQADSA-N 1 2 477.001 3.784 40 0 JHABLO O=C(CC1CCN(C(=O)c2cccc(Cn3cc[nH+]c3)c2)CC1)Nc1ccc2nccnc2c1 ZINC000257272194 570130337 /nfs/dbraw/zinc/13/03/37/570130337.db2.gz NBKIMWGGGRVGJS-UHFFFAOYSA-N 1 2 454.534 3.756 40 0 JHABLO CS(=O)(=O)c1c[nH]nc1C[C@@H]1CCC[N@H+](Cc2ccccc2OCc2cccc(F)c2)C1 ZINC000257292949 570136397 /nfs/dbraw/zinc/13/63/97/570136397.db2.gz QNOQUSVKPHPJQQ-SFHVURJKSA-N 1 2 457.571 3.986 40 0 JHABLO CS(=O)(=O)c1c[nH]nc1C[C@@H]1CCC[N@@H+](Cc2ccccc2OCc2cccc(F)c2)C1 ZINC000257292949 570136399 /nfs/dbraw/zinc/13/63/99/570136399.db2.gz QNOQUSVKPHPJQQ-SFHVURJKSA-N 1 2 457.571 3.986 40 0 JHABLO C[C@]1(O)C[N@H+](CC(=O)Nc2ncc(Cc3ccc(F)cc3)s2)CC[C@@H]1Oc1ccccc1 ZINC000257295557 570136999 /nfs/dbraw/zinc/13/69/99/570136999.db2.gz QYVUYNLWTGZDQH-URXFXBBRSA-N 1 2 455.555 3.716 40 0 JHABLO C[C@]1(O)C[N@@H+](CC(=O)Nc2ncc(Cc3ccc(F)cc3)s2)CC[C@@H]1Oc1ccccc1 ZINC000257295557 570137000 /nfs/dbraw/zinc/13/70/00/570137000.db2.gz QYVUYNLWTGZDQH-URXFXBBRSA-N 1 2 455.555 3.716 40 0 JHABLO O=C(Nc1ccc2nc(N3C(=O)c4ccccc4C3=O)sc2c1)N1CCN(c2cccc[nH+]2)CC1 ZINC000409135826 570142267 /nfs/dbraw/zinc/14/22/67/570142267.db2.gz RFHDSUGJRATPAU-UHFFFAOYSA-N 1 2 484.541 3.846 40 0 JHABLO CN(C[C@]1(O)CCCN(c2cc[nH+]c3ccncc32)C1)C(=O)CCc1nc2cc(Cl)ccc2n1C ZINC000257321543 570144843 /nfs/dbraw/zinc/14/48/43/570144843.db2.gz WCCKDYDFWFKHKQ-AREMUKBSSA-N 1 2 493.011 3.592 40 0 JHABLO COc1ccc([C@@H]2CN(C(=O)c3cccc(Nc4cc(C)[nH+]c(C)n4)c3)CCN2C(C)=O)cc1 ZINC000257343164 570151232 /nfs/dbraw/zinc/15/12/32/570151232.db2.gz ZRSXXOXHLQJBMB-DEOSSOPVSA-N 1 2 459.550 3.891 40 0 JHABLO CCCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@H]2c1cc(OC)ccc1OC(C)=O ZINC000261364182 570168376 /nfs/dbraw/zinc/16/83/76/570168376.db2.gz JTEQNIZKNWOILO-XMMPIXPASA-O 1 2 495.581 3.876 40 0 JHABLO CSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(=O)c1ccccc1)[C@H]2c1ccc2c(c1)OCO2 ZINC000261364171 570168436 /nfs/dbraw/zinc/16/84/36/570168436.db2.gz JSCDMZRGVHLHHY-HSZRJFAPSA-O 1 2 471.518 3.795 40 0 JHABLO CCSc1n[n+]2c(c(=O)[nH]1)-c1cc(Br)ccc1N(C(C)=O)[C@H]2c1ccccc1 ZINC000261364351 570168581 /nfs/dbraw/zinc/16/85/81/570168581.db2.gz KXCZIEVBRRIJOK-LJQANCHMSA-O 1 2 458.361 3.925 40 0 JHABLO CCC(=O)N1c2ccccc2-c2c(=O)[nH]c(SC)n[n+]2[C@@H]1c1cc(Cl)cc(OC)c1OC ZINC000261365424 570169013 /nfs/dbraw/zinc/16/90/13/570169013.db2.gz SEBGVGUZKYCNFA-OAQYLSRUSA-O 1 2 473.962 3.833 40 0 JHABLO CC(C)[C@@H](CO)Nc1nc(NCCc2ccccn2)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000328965275 570179699 /nfs/dbraw/zinc/17/96/99/570179699.db2.gz CCKYSRKCRBVDNP-HXUWFJFHSA-N 1 2 461.488 4.521 40 0 JHABLO OCCNc1nc(NCc2ccccc2Br)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000329053359 570183136 /nfs/dbraw/zinc/18/31/36/570183136.db2.gz VGAQDHZTUVVRTK-UHFFFAOYSA-N 1 2 483.288 3.665 40 0 JHABLO COC(=O)c1ccc(NC(=O)CSc2[nH+]cnc3c2cnn3-c2ccccc2Cl)cc1 ZINC000001346515 194099066 /nfs/dbraw/zinc/09/90/66/194099066.db2.gz FHSZSYRGIGYWRG-UHFFFAOYSA-N 1 2 453.911 3.986 40 0 JHABLO CCOC(=O)Cn1nnnc1[C@H](CC)[N@H+](Cc1cccs1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000001375321 194109809 /nfs/dbraw/zinc/10/98/09/194109809.db2.gz HHRTZTLTTXTNNQ-QFIPXVFZSA-N 1 2 494.621 3.910 40 0 JHABLO CCOC(=O)Cn1nnnc1[C@H](CC)[N@@H+](Cc1cccs1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000001375321 194109812 /nfs/dbraw/zinc/10/98/12/194109812.db2.gz HHRTZTLTTXTNNQ-QFIPXVFZSA-N 1 2 494.621 3.910 40 0 JHABLO CCOC(=O)C1CC[NH+]([C@@H](c2nnnn2C(C)(C)CC)c2cc3cc(CC)ccc3[nH]c2=O)CC1 ZINC000057589575 195351375 /nfs/dbraw/zinc/35/13/75/195351375.db2.gz HTQNWSNZKNIUNV-JOCHJYFZSA-N 1 2 480.613 3.587 40 0 JHABLO CCOc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3cccc(C[NH+]4CCOCC4)c3)cc2)cc1 ZINC000020492850 521132471 /nfs/dbraw/zinc/13/24/71/521132471.db2.gz OCUKSWGDFFBWLV-UHFFFAOYSA-N 1 2 495.601 3.971 40 0 JHABLO COc1c(Cl)cc(Cl)cc1C(=O)NC(=S)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000016194615 521836470 /nfs/dbraw/zinc/83/64/70/521836470.db2.gz ZNPHRMBGBDMATI-UHFFFAOYSA-N 1 2 454.379 3.961 40 0 JHABLO COc1ccc(S(=O)(=O)N(C)c2ccc3sc(C(=O)N4CC[NH+](C)CC4)cc3c2)cc1Cl ZINC000020448186 525006071 /nfs/dbraw/zinc/00/60/71/525006071.db2.gz MPZZREDUCVQPRP-UHFFFAOYSA-N 1 2 494.038 3.776 40 0 JHABLO Cc1ccc(C)c2[nH]c(=O)c(CN(CC[NH+]3CCOCC3)C(=S)Nc3ccc(F)cc3)cc12 ZINC000000878495 553814269 /nfs/dbraw/zinc/81/42/69/553814269.db2.gz HQOJQSZURGJWBK-UHFFFAOYSA-N 1 2 468.598 3.815 40 0 JHABLO CCOc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C[C@H]3CCCO3)[N@H+](CC)Cc3ccccc3)cc2c1 ZINC000000911555 553841621 /nfs/dbraw/zinc/84/16/21/553841621.db2.gz IHAIHTGVOVNSMU-RDGATRHJSA-N 1 2 488.592 3.704 40 0 JHABLO CCOc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C[C@H]3CCCO3)[N@@H+](CC)Cc3ccccc3)cc2c1 ZINC000000911555 553841622 /nfs/dbraw/zinc/84/16/22/553841622.db2.gz IHAIHTGVOVNSMU-RDGATRHJSA-N 1 2 488.592 3.704 40 0 JHABLO COc1cccc(OCc2nnc(SCC[NH+]3CCOCC3)n2CCc2ccccc2)c1 ZINC000000929048 553866840 /nfs/dbraw/zinc/86/68/40/553866840.db2.gz MMLSOSWBOGCHEQ-UHFFFAOYSA-N 1 2 454.596 3.533 40 0 JHABLO CCOc1ccc2[nH]c(=O)c([C@H](c3nnnn3Cc3ccc(F)cc3)[NH+]3CCCCC3)cc2c1 ZINC000006197009 554518924 /nfs/dbraw/zinc/51/89/24/554518924.db2.gz RLWIFEYKMTVTPN-HSZRJFAPSA-N 1 2 462.529 3.676 40 0 JHABLO O=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000009062827 554880359 /nfs/dbraw/zinc/88/03/59/554880359.db2.gz HJTSAGRBEQIEHL-UHFFFAOYSA-N 1 2 456.593 3.795 40 0 JHABLO CCOC(=O)Cn1nnnc1[C@H](CC)[N@H+](Cc1cccs1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013495747 555409140 /nfs/dbraw/zinc/40/91/40/555409140.db2.gz FWXNCRBYEUMIIU-FQEVSTJZSA-N 1 2 480.594 3.601 40 0 JHABLO CCOC(=O)Cn1nnnc1[C@H](CC)[N@@H+](Cc1cccs1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013495747 555409142 /nfs/dbraw/zinc/40/91/42/555409142.db2.gz FWXNCRBYEUMIIU-FQEVSTJZSA-N 1 2 480.594 3.601 40 0 JHABLO CCc1ccc2[nH]c(=O)c(C[N@H+](CCCO)[C@@H](c3nnnn3CCc3ccccc3)C(C)C)cc2c1 ZINC000013498469 555420648 /nfs/dbraw/zinc/42/06/48/555420648.db2.gz NOOCVQXQCDLWMX-AREMUKBSSA-N 1 2 488.636 3.901 40 0 JHABLO CCc1ccc2[nH]c(=O)c(C[N@@H+](CCCO)[C@@H](c3nnnn3CCc3ccccc3)C(C)C)cc2c1 ZINC000013498469 555420651 /nfs/dbraw/zinc/42/06/51/555420651.db2.gz NOOCVQXQCDLWMX-AREMUKBSSA-N 1 2 488.636 3.901 40 0 JHABLO COCCn1nnnc1[C@@H](C(C)C)[N@H+](Cc1ccc(OC)cc1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000013498593 555422528 /nfs/dbraw/zinc/42/25/28/555422528.db2.gz FYWLFFOYMZBOEW-RUZDIDTESA-N 1 2 490.608 3.878 40 0 JHABLO COCCn1nnnc1[C@@H](C(C)C)[N@@H+](Cc1ccc(OC)cc1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000013498593 555422532 /nfs/dbraw/zinc/42/25/32/555422532.db2.gz FYWLFFOYMZBOEW-RUZDIDTESA-N 1 2 490.608 3.878 40 0 JHABLO COc1ccc2[nH]c(=O)c(C[N@H+](C[C@@H]3CCCO3)[C@H](c3nnnn3Cc3ccco3)C(C)C)cc2c1 ZINC000013498678 555423359 /nfs/dbraw/zinc/42/33/59/555423359.db2.gz QKUZLAOKIGLECE-URXFXBBRSA-N 1 2 492.580 3.543 40 0 JHABLO COc1ccc2[nH]c(=O)c(C[N@@H+](C[C@@H]3CCCO3)[C@H](c3nnnn3Cc3ccco3)C(C)C)cc2c1 ZINC000013498678 555423360 /nfs/dbraw/zinc/42/33/60/555423360.db2.gz QKUZLAOKIGLECE-URXFXBBRSA-N 1 2 492.580 3.543 40 0 JHABLO Cc1ccc2[nH]c(=O)c(C[N@@H+](C[C@@H]3CCCO3)[C@H](c3nnnn3Cc3ccco3)C(C)C)cc2c1 ZINC000013500399 555439693 /nfs/dbraw/zinc/43/96/93/555439693.db2.gz WQGBETFMBDQVFW-URXFXBBRSA-N 1 2 476.581 3.843 40 0 JHABLO Cc1ccc2[nH]c(=O)c(C[N@H+](C[C@@H]3CCCO3)[C@H](c3nnnn3Cc3ccco3)C(C)C)cc2c1 ZINC000013500399 555439695 /nfs/dbraw/zinc/43/96/95/555439695.db2.gz WQGBETFMBDQVFW-URXFXBBRSA-N 1 2 476.581 3.843 40 0 JHABLO CCC[C@H](c1nnnn1Cc1ccco1)[N@@H+](Cc1cc2cc(C)ccc2[nH]c1=O)C[C@@H]1CCCO1 ZINC000013500884 555444700 /nfs/dbraw/zinc/44/47/00/555444700.db2.gz OJIUSQYEHOQGRM-XUZZJYLKSA-N 1 2 476.581 3.987 40 0 JHABLO CCC[C@H](c1nnnn1Cc1ccco1)[N@H+](Cc1cc2cc(C)ccc2[nH]c1=O)C[C@@H]1CCCO1 ZINC000013500884 555444703 /nfs/dbraw/zinc/44/47/03/555444703.db2.gz OJIUSQYEHOQGRM-XUZZJYLKSA-N 1 2 476.581 3.987 40 0 JHABLO CCC[C@@H](c1nnnn1C1CCCC1)[N@H+](CCCO)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013501039 555446721 /nfs/dbraw/zinc/44/67/21/555446721.db2.gz HODLYPQLNRARKE-QFIPXVFZSA-N 1 2 452.603 3.972 40 0 JHABLO CCC[C@@H](c1nnnn1C1CCCC1)[N@@H+](CCCO)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013501039 555446723 /nfs/dbraw/zinc/44/67/23/555446723.db2.gz HODLYPQLNRARKE-QFIPXVFZSA-N 1 2 452.603 3.972 40 0 JHABLO Cc1ccc2[nH]c(=O)c(C[N@H+](CCO)C3(c4nnnn4C4CCCC4)CCCCC3)cc2c1 ZINC000013501249 555448713 /nfs/dbraw/zinc/44/87/13/555448713.db2.gz HKVMZJOLDWZZAQ-UHFFFAOYSA-N 1 2 450.587 3.592 40 0 JHABLO Cc1ccc2[nH]c(=O)c(C[N@@H+](CCO)C3(c4nnnn4C4CCCC4)CCCCC3)cc2c1 ZINC000013501249 555448716 /nfs/dbraw/zinc/44/87/16/555448716.db2.gz HKVMZJOLDWZZAQ-UHFFFAOYSA-N 1 2 450.587 3.592 40 0 JHABLO CCC[C@]1(C(=O)OCC)[NH2+][C@@H](c2ccccc2C)[C@H]2C(=O)N(c3cccc(C(C)=O)c3)C(=O)[C@H]21 ZINC000020150791 555667382 /nfs/dbraw/zinc/66/73/82/555667382.db2.gz PJMDWFBVLPZOAQ-FAWUNYRSSA-N 1 2 462.546 3.750 40 0 JHABLO CCC[C@H](c1nnnn1C(C)(C)CC)N(CC[NH+]1CCOCC1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000022928410 555978986 /nfs/dbraw/zinc/97/89/86/555978986.db2.gz LGOWYAXYOVQPKO-XMMPIXPASA-N 1 2 495.672 3.644 40 0 JHABLO Cc1cc(C[C@@H](O)CN2CC[NH+](C[C@@H](O)COc3ccc(Cl)c(C)c3)CC2)ccc1Cl ZINC000027530958 556291391 /nfs/dbraw/zinc/29/13/91/556291391.db2.gz ZMUXPASZAVFSHP-NHCUHLMSSA-N 1 2 467.437 3.571 40 0 JHABLO Cc1ccc2[nH]c(=O)c(C[N@H+](CCc3ccccc3)Cc3nnnn3Cc3ccco3)cc2c1 ZINC000019221057 556335312 /nfs/dbraw/zinc/33/53/12/556335312.db2.gz OUBXCERFZCRGHC-UHFFFAOYSA-N 1 2 454.534 3.709 40 0 JHABLO Cc1ccc2[nH]c(=O)c(C[N@@H+](CCc3ccccc3)Cc3nnnn3Cc3ccco3)cc2c1 ZINC000019221057 556335315 /nfs/dbraw/zinc/33/53/15/556335315.db2.gz OUBXCERFZCRGHC-UHFFFAOYSA-N 1 2 454.534 3.709 40 0 JHABLO CC[N@H+](Cc1ccccc1)[C@@H](c1nnnn1C1CCCC1)c1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000019526627 556351623 /nfs/dbraw/zinc/35/16/23/556351623.db2.gz NWBOMQLWUSVANM-XMMPIXPASA-N 1 2 472.549 3.970 40 0 JHABLO CC[N@@H+](Cc1ccccc1)[C@@H](c1nnnn1C1CCCC1)c1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000019526627 556351626 /nfs/dbraw/zinc/35/16/26/556351626.db2.gz NWBOMQLWUSVANM-XMMPIXPASA-N 1 2 472.549 3.970 40 0 JHABLO CCc1ccc2[nH]c(=O)c(CN(CC[NH+]3CCOCC3)C(=S)N[C@@H](C)c3ccccc3)cc2c1 ZINC000019822939 556392776 /nfs/dbraw/zinc/39/27/76/556392776.db2.gz PIVADSXOPNDFKZ-FQEVSTJZSA-N 1 2 478.662 3.860 40 0 JHABLO Cc1ccc(C)c2[nH]c(=O)c(CN(CC[NH+]3CCOCC3)C(=S)N[C@@H](C)c3ccccc3)cc12 ZINC000019824106 556395046 /nfs/dbraw/zinc/39/50/46/556395046.db2.gz NVKZFYKKCQBJGX-NRFANRHFSA-N 1 2 478.662 3.915 40 0 JHABLO Cc1ccc(C)c(NC(=O)CSC2=[NH+][C@@H]3CS(=O)(=O)C[C@H]3N2Cc2ccc(Cl)cc2)c1 ZINC000032640231 556461305 /nfs/dbraw/zinc/46/13/05/556461305.db2.gz POEYMZOGUVLEGC-WOJBJXKFSA-N 1 2 478.039 3.666 40 0 JHABLO O=C(c1ccccc1F)N1CCC(O)(c2csc(C[N@@H+]3CCc4ccccc4C3)n2)CC1 ZINC000225474857 560043089 /nfs/dbraw/zinc/04/30/89/560043089.db2.gz SROFGACNBWTPKS-UHFFFAOYSA-N 1 2 451.567 3.964 40 0 biogenic,in-vitro JHABLO O=C(c1ccccc1F)N1CCC(O)(c2csc(C[N@H+]3CCc4ccccc4C3)n2)CC1 ZINC000225474857 560043091 /nfs/dbraw/zinc/04/30/91/560043091.db2.gz SROFGACNBWTPKS-UHFFFAOYSA-N 1 2 451.567 3.964 40 0 biogenic,in-vitro JHABLO C[C@H]1CCC=C2C[C@H]3OC(=O)[C@@H](CN4CC[NH+](C/C=C/c5ccccc5)CC4)[C@H]3[C@H](O)[C@@]21C ZINC000049662115 569849949 /nfs/dbraw/zinc/84/99/49/569849949.db2.gz OENXBRAOGMLWJQ-YTKPIUIESA-N 1 2 450.623 3.602 40 0 JHABLO C[C@@H](NC(=O)c1cc(S(=O)(=O)N2CC[NH+](C)CC2)ccc1Cl)c1ccc2c(c1)CCCC2 ZINC000222983525 569896071 /nfs/dbraw/zinc/89/60/71/569896071.db2.gz OPXZJGOYEMXJMC-QGZVFWFLSA-N 1 2 476.042 3.646 40 0 JHABLO S=C1N[C@H](c2ccccn2)[C@H](c2cccn2-c2nc3ccccc3s2)N1CC[NH+]1CCOCC1 ZINC000223130458 569900486 /nfs/dbraw/zinc/90/04/86/569900486.db2.gz IGALUBFJHHRXDD-PKTZIBPZSA-N 1 2 490.658 3.787 40 0 JHABLO Cc1cccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC[NH+]2CCOCC2)c1 ZINC000223175965 569902145 /nfs/dbraw/zinc/90/21/45/569902145.db2.gz KOEPLFGINUHSFY-LOSJGSFVSA-N 1 2 461.635 3.876 40 0 JHABLO Cc1ccccc1-n1cccc1[C@@H]1[C@@H](c2ccccn2)NC(=S)N1CCC[NH+]1CCOCC1 ZINC000223193522 569902863 /nfs/dbraw/zinc/90/28/63/569902863.db2.gz ORFLCAASMJHVSB-JWQCQUIFSA-N 1 2 461.635 3.876 40 0 JHABLO CN(C)c1ccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC[NH+]2CCOCC2)cc1 ZINC000223194058 569902932 /nfs/dbraw/zinc/90/29/32/569902932.db2.gz QNQULEMFQHFUFZ-FTJBHMTQSA-N 1 2 490.677 3.633 40 0 JHABLO Cc1ccccc1NS(=O)(=O)c1cc(C(=O)NCc2cccc(C[NH+]3CCOCC3)c2)ccc1C ZINC000224722999 569954805 /nfs/dbraw/zinc/95/48/05/569954805.db2.gz XCWIYAZBQJHKEO-UHFFFAOYSA-N 1 2 493.629 3.866 40 0 JHABLO Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)NCc3cccc(C[NH+]4CCOCC4)c3)c2C)cc1 ZINC000224727361 569954942 /nfs/dbraw/zinc/95/49/42/569954942.db2.gz LAWJSCDJFNNGKD-UHFFFAOYSA-N 1 2 493.629 3.866 40 0 JHABLO CCC1(CC)C[C@@H](NC(=O)c2ccc(CS(=O)(=O)N3CC[NH+](C)CC3)cc2)c2ccccc2O1 ZINC000224974616 569966536 /nfs/dbraw/zinc/96/65/36/569966536.db2.gz RRWUNLPCVLTQTH-HSZRJFAPSA-N 1 2 485.650 3.576 40 0 JHABLO O=C(CN(Cc1ccccc1)S(=O)(=O)c1cc(Cl)ccc1Cl)NCCCn1cc[nH+]c1 ZINC000408620978 569978010 /nfs/dbraw/zinc/97/80/10/569978010.db2.gz NFAKXASMLKRSBC-UHFFFAOYSA-N 1 2 481.405 3.587 40 0 JHABLO O=c1sc2cc(S(=O)(=O)N3CC[NH+](Cc4ccccc4)CC3)ccc2n1Cc1ccccc1 ZINC000225741435 570018952 /nfs/dbraw/zinc/01/89/52/570018952.db2.gz HBDAIDFORKJAJG-UHFFFAOYSA-N 1 2 479.627 3.618 40 0 JHABLO COc1ccc(NC(=O)C2=C(C)[NH+]=C3N=CNN3[C@H]2c2ccc(OC)c(Br)c2)cc1 ZINC000408703040 570023007 /nfs/dbraw/zinc/02/30/07/570023007.db2.gz DILJUDDEUNBODH-IBGZPJMESA-N 1 2 470.327 3.638 40 0 JHABLO CCC[C@]1(C(=O)OCC)[NH2+][C@H](c2ccccc2C)[C@@H]2C(=O)N(c3ccc(OCC)cc3)C(=O)[C@@H]21 ZINC000231645274 570046819 /nfs/dbraw/zinc/04/68/19/570046819.db2.gz CMJKOGCJVKPULE-ANAFOTAVSA-N 1 2 464.562 3.946 40 0 JHABLO CCC[C@]1(C(=O)OCC)[NH2+][C@H](c2ccccc2C)[C@@H]2C(=O)N(c3ccc(OCC)cc3)C(=O)[C@H]21 ZINC000245229653 570056047 /nfs/dbraw/zinc/05/60/47/570056047.db2.gz CMJKOGCJVKPULE-IDIXZGLXSA-N 1 2 464.562 3.946 40 0 JHABLO CC[C@H](c1nnnn1Cc1ccco1)[N@@H+](Cc1cc2cc(OC)ccc2[nH]c1=O)C[C@H]1CCCO1 ZINC000253500434 570101744 /nfs/dbraw/zinc/10/17/44/570101744.db2.gz OBUCIUYJJGOEGB-NFBKMPQASA-N 1 2 478.553 3.709 40 0 JHABLO CC[C@H](c1nnnn1Cc1ccco1)[N@H+](Cc1cc2cc(OC)ccc2[nH]c1=O)C[C@H]1CCCO1 ZINC000253500434 570101746 /nfs/dbraw/zinc/10/17/46/570101746.db2.gz OBUCIUYJJGOEGB-NFBKMPQASA-N 1 2 478.553 3.709 40 0 JHABLO CC(=O)N1[C@H](Cc2ccccc2)[C@@H]2C[C@@]3(C)[C@H](CCCC[C@@H]13)N2C(=O)C[N@@H+](C)Cc1cccnc1 ZINC000257215712 570112735 /nfs/dbraw/zinc/11/27/35/570112735.db2.gz CRHMANKKTILNRF-NWFYCVFPSA-N 1 2 474.649 3.905 40 0 JHABLO CC(=O)N1[C@H](Cc2ccccc2)[C@@H]2C[C@@]3(C)[C@H](CCCC[C@@H]13)N2C(=O)C[N@H+](C)Cc1cccnc1 ZINC000257215712 570112736 /nfs/dbraw/zinc/11/27/36/570112736.db2.gz CRHMANKKTILNRF-NWFYCVFPSA-N 1 2 474.649 3.905 40 0 JHABLO COc1ccc([C@H]2CN(C(=O)C3(Cc4ccc(F)cc4)CCN(C(C)=O)CC3)CC[N@@H+]2C)cc1 ZINC000257224918 570115529 /nfs/dbraw/zinc/11/55/29/570115529.db2.gz FDYJTISERUBCKL-RUZDIDTESA-N 1 2 467.585 3.521 40 0 JHABLO COc1ccc([C@H]2CN(C(=O)C3(Cc4ccc(F)cc4)CCN(C(C)=O)CC3)CC[N@H+]2C)cc1 ZINC000257224918 570115530 /nfs/dbraw/zinc/11/55/30/570115530.db2.gz FDYJTISERUBCKL-RUZDIDTESA-N 1 2 467.585 3.521 40 0 JHABLO C[C@]1(O)C[N@H+](CC(=O)Nc2nc(-c3ccc(F)cc3)cs2)CC[C@@H]1Oc1cccc(F)c1 ZINC000257245953 570121875 /nfs/dbraw/zinc/12/18/75/570121875.db2.gz IRVFCVUCPDRCIQ-REWPJTCUSA-N 1 2 459.518 3.931 40 0 JHABLO C[C@]1(O)C[N@@H+](CC(=O)Nc2nc(-c3ccc(F)cc3)cs2)CC[C@@H]1Oc1cccc(F)c1 ZINC000257245953 570121876 /nfs/dbraw/zinc/12/18/76/570121876.db2.gz IRVFCVUCPDRCIQ-REWPJTCUSA-N 1 2 459.518 3.931 40 0 JHABLO Cc1cc(Nc2cccc(C(=O)N3CCOC[C@H](Cc4ccc5[nH+]ccn5c4)C3)c2)nc(C)n1 ZINC000257259288 570125946 /nfs/dbraw/zinc/12/59/46/570125946.db2.gz KXQXZKRGWYSXHM-OAQYLSRUSA-N 1 2 456.550 3.816 40 0 JHABLO Cc1cc(N2CC[C@@](O)(CN(C)C(=O)c3ccc4[nH]c(C(F)(F)F)nc4c3)C2)c2cnccc2[nH+]1 ZINC000257285692 570134321 /nfs/dbraw/zinc/13/43/21/570134321.db2.gz PIIIHVAFLCAHTO-HSZRJFAPSA-N 1 2 484.482 3.547 40 0 JHABLO CCc1[nH+]ccn1-c1cccc([C@@H]2CCCN2C(=O)CCN2C(=O)COc3ccc(Cl)cc32)n1 ZINC000257286264 570134527 /nfs/dbraw/zinc/13/45/27/570134527.db2.gz PKYIIQXUOOVLTL-IBGZPJMESA-N 1 2 479.968 3.962 40 0 JHABLO Cc1ccc(C[N@@H+]2CCO[C@@](COc3ccc(Cl)cc3)(CC(=O)N3CCOCC3)C2)s1 ZINC000257292724 570136338 /nfs/dbraw/zinc/13/63/38/570136338.db2.gz QMRWEYGMRIJLEP-QHCPKHFHSA-N 1 2 465.015 3.609 40 0 JHABLO Cc1ccc(C[N@H+]2CCO[C@@](COc3ccc(Cl)cc3)(CC(=O)N3CCOCC3)C2)s1 ZINC000257292724 570136339 /nfs/dbraw/zinc/13/63/39/570136339.db2.gz QMRWEYGMRIJLEP-QHCPKHFHSA-N 1 2 465.015 3.609 40 0 JHABLO Cc1cc2ccccc2n1CCC(=O)N(C)C[C@@]1(O)CCCN(c2cc[nH+]c3ccncc32)C1 ZINC000257310566 570141627 /nfs/dbraw/zinc/14/16/27/570141627.db2.gz UFQQKHWRNSFFPO-MHZLTWQESA-N 1 2 457.578 3.773 40 0 JHABLO CN(C)c1cc([C@H]2CCCN(C(=O)C3(C)CCN(C(=O)Cc4ccccc4F)CC3)C2)cc[nH+]1 ZINC000257319188 570144260 /nfs/dbraw/zinc/14/42/60/570144260.db2.gz VRDSMENWGSJEQA-QFIPXVFZSA-N 1 2 466.601 3.864 40 0 JHABLO CCOc1cccc([C@@H]2N(C(=O)CC)c3ccccc3-c3c(=O)[nH]c(SC)n[n+]32)c1OC(=O)CC ZINC000261361837 570167390 /nfs/dbraw/zinc/16/73/90/570167390.db2.gz BEQWDXSEWLLMEV-XMMPIXPASA-O 1 2 495.581 3.876 40 0 JHABLO CCC(=O)N1c2ccccc2-c2c(=O)[nH]c(SC)n[n+]2[C@@H]1c1cc(Cl)c(OC)c(OC)c1 ZINC000261362204 570167576 /nfs/dbraw/zinc/16/75/76/570167576.db2.gz CHNODTORXLUSRY-OAQYLSRUSA-O 1 2 473.962 3.833 40 0 JHABLO CCCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@@H]2c1ccc(OC)c(OC(C)=O)c1 ZINC000261363949 570168248 /nfs/dbraw/zinc/16/82/48/570168248.db2.gz IQTYNWSBLGJSBG-DEOSSOPVSA-O 1 2 495.581 3.876 40 0 JHABLO CCC(=O)N1c2ccccc2-c2c(=O)[nH]c(SC)n[n+]2[C@@H]1c1ccc(OC)c(Br)c1 ZINC000261365280 570169101 /nfs/dbraw/zinc/16/91/01/570169101.db2.gz RBJSDLBYFKOIIW-HXUWFJFHSA-O 1 2 488.387 3.933 40 0 JHABLO COc1ccc(Cn2nnnc2[C@@H](c2cc3cc(C)ccc3[nH]c2=O)[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000012710865 195094683 /nfs/dbraw/zinc/09/46/83/195094683.db2.gz ORLCXCSBCPQJMD-HOYKHHGWSA-N 1 2 458.566 3.701 40 0 JHABLO COc1ccc(Cn2nnnc2[C@@H](c2cc3cc(C)ccc3[nH]c2=O)[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000012710865 195094686 /nfs/dbraw/zinc/09/46/86/195094686.db2.gz ORLCXCSBCPQJMD-HOYKHHGWSA-N 1 2 458.566 3.701 40 0 JHABLO COc1ccc2cc([C@H](c3nnnn3Cc3ccc(F)cc3)[N@@H+]3CCC[C@@H](C)C3)c(=O)[nH]c2c1 ZINC000012712728 195095692 /nfs/dbraw/zinc/09/56/92/195095692.db2.gz GZWWWFOMGJAHBW-WAIKUNEKSA-N 1 2 462.529 3.532 40 0 JHABLO COc1ccc2cc([C@H](c3nnnn3Cc3ccc(F)cc3)[N@H+]3CCC[C@@H](C)C3)c(=O)[nH]c2c1 ZINC000012712728 195095695 /nfs/dbraw/zinc/09/56/95/195095695.db2.gz GZWWWFOMGJAHBW-WAIKUNEKSA-N 1 2 462.529 3.532 40 0 JHABLO CC[N@H+](Cc1ccccc1)[C@@H](c1nnnn1C[C@@H]1CCCO1)c1cc2cc(C)c(C)cc2[nH]c1=O ZINC000057584884 195350900 /nfs/dbraw/zinc/35/09/00/195350900.db2.gz INGPIWYTORUJFE-WIOPSUGQSA-N 1 2 472.593 3.922 40 0 JHABLO CC[N@@H+](Cc1ccccc1)[C@@H](c1nnnn1C[C@@H]1CCCO1)c1cc2cc(C)c(C)cc2[nH]c1=O ZINC000057584884 195350903 /nfs/dbraw/zinc/35/09/03/195350903.db2.gz INGPIWYTORUJFE-WIOPSUGQSA-N 1 2 472.593 3.922 40 0 JHABLO CCOC(=O)C1CC[NH+]([C@H](c2nnnn2C2CCCC2)c2cc3ccc(C)c(C)c3[nH]c2=O)CC1 ZINC000057589683 195351518 /nfs/dbraw/zinc/35/15/18/195351518.db2.gz RUSCHMGRWIWNQL-QHCPKHFHSA-N 1 2 478.597 3.611 40 0 JHABLO CC[C@H](c1nnnn1CCOC)[N@H+](Cc1ccc(OC)cc1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000057641627 195355358 /nfs/dbraw/zinc/35/53/58/195355358.db2.gz WGZANEVIAPSVQT-RUZDIDTESA-N 1 2 490.608 3.940 40 0 JHABLO CC[C@H](c1nnnn1CCOC)[N@@H+](Cc1ccc(OC)cc1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000057641627 195355360 /nfs/dbraw/zinc/35/53/60/195355360.db2.gz WGZANEVIAPSVQT-RUZDIDTESA-N 1 2 490.608 3.940 40 0 JHABLO CCOC(=O)[C@H]1CCC[N@@H+](c2ccc(NCc3cc4cc(OC)c(OC)cc4[nH]c3=O)cc2)C1 ZINC000057718143 195358091 /nfs/dbraw/zinc/35/80/91/195358091.db2.gz WJCSPWJXMHJPHO-KRWDZBQOSA-N 1 2 465.550 3.937 40 0 JHABLO CCOC(=O)[C@H]1CCC[N@H+](c2ccc(NCc3cc4cc(OC)c(OC)cc4[nH]c3=O)cc2)C1 ZINC000057718143 195358093 /nfs/dbraw/zinc/35/80/93/195358093.db2.gz WJCSPWJXMHJPHO-KRWDZBQOSA-N 1 2 465.550 3.937 40 0 JHABLO C[N@@H+]1C[C@@H](NS(=O)(=O)Cc2ccccc2)C[C@H]1c1nc(-c2ccc(OC(F)(F)F)cc2)no1 ZINC000020464146 524012333 /nfs/dbraw/zinc/01/23/33/524012333.db2.gz VCYGBRIZVZBDNY-WMZOPIPTSA-N 1 2 482.484 3.500 40 0 biogenic,in-vitro JHABLO C[N@H+]1C[C@@H](NS(=O)(=O)Cc2ccccc2)C[C@H]1c1nc(-c2ccc(OC(F)(F)F)cc2)no1 ZINC000020464146 524012338 /nfs/dbraw/zinc/01/23/38/524012338.db2.gz VCYGBRIZVZBDNY-WMZOPIPTSA-N 1 2 482.484 3.500 40 0 biogenic,in-vitro JHABLO Cc1cccc(NC(=S)N(CC[NH+]2CCOCC2)Cc2cc3cccc(C)c3[nH]c2=O)c1 ZINC000000884860 553823284 /nfs/dbraw/zinc/82/32/84/553823284.db2.gz CILGQCILKCJHQE-UHFFFAOYSA-N 1 2 450.608 3.676 40 0 JHABLO COc1ccc2[nH]c(=O)c(C[N@H+](CCc3ccccc3)Cc3nnnn3Cc3ccccc3)cc2c1 ZINC000000927846 553864869 /nfs/dbraw/zinc/86/48/69/553864869.db2.gz IVZVOLNTSSRXPL-UHFFFAOYSA-N 1 2 480.572 3.816 40 0 JHABLO COc1ccc2[nH]c(=O)c(C[N@@H+](CCc3ccccc3)Cc3nnnn3Cc3ccccc3)cc2c1 ZINC000000927846 553864871 /nfs/dbraw/zinc/86/48/71/553864871.db2.gz IVZVOLNTSSRXPL-UHFFFAOYSA-N 1 2 480.572 3.816 40 0 JHABLO CCc1ccc(NC(=S)N(CC[NH+]2CCOCC2)Cc2cc3cccc(C)c3[nH]c2=O)cc1 ZINC000000928184 553865850 /nfs/dbraw/zinc/86/58/50/553865850.db2.gz NNKRKLNWCBVPRV-UHFFFAOYSA-N 1 2 464.635 3.930 40 0 JHABLO Cc1ccc2cc(CN(CC[NH+]3CCOCC3)C(=S)Nc3ccccc3)c(=O)[nH]c2c1C ZINC000000931891 553870373 /nfs/dbraw/zinc/87/03/73/553870373.db2.gz BGUCNMNJLKTDPI-UHFFFAOYSA-N 1 2 450.608 3.676 40 0 JHABLO COc1ccc(Cn2nnnc2[C@@H](c2cc3c(C)cc(C)cc3[nH]c2=O)[NH+]2CCCCC2)cc1 ZINC000006301935 554530156 /nfs/dbraw/zinc/53/01/56/554530156.db2.gz BZWQCTRAYMECQU-XMMPIXPASA-N 1 2 458.566 3.764 40 0 JHABLO COCCn1nnnc1[C@H](C(C)C)[N@H+](Cc1ccc(C)cc1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000013498666 555423362 /nfs/dbraw/zinc/42/33/62/555423362.db2.gz PVPWEAABKNLCJQ-VWLOTQADSA-N 1 2 490.608 3.878 40 0 JHABLO COCCn1nnnc1[C@H](C(C)C)[N@@H+](Cc1ccc(C)cc1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000013498666 555423363 /nfs/dbraw/zinc/42/33/63/555423363.db2.gz PVPWEAABKNLCJQ-VWLOTQADSA-N 1 2 490.608 3.878 40 0 JHABLO COCCn1nnnc1[C@H](C(C)C)[N@H+](Cc1cccs1)Cc1cc2ccc(OC)cc2[nH]c1=O ZINC000013498775 555424788 /nfs/dbraw/zinc/42/47/88/555424788.db2.gz RUXDARKBHZYPAH-QFIPXVFZSA-N 1 2 482.610 3.631 40 0 JHABLO COCCn1nnnc1[C@H](C(C)C)[N@@H+](Cc1cccs1)Cc1cc2ccc(OC)cc2[nH]c1=O ZINC000013498775 555424792 /nfs/dbraw/zinc/42/47/92/555424792.db2.gz RUXDARKBHZYPAH-QFIPXVFZSA-N 1 2 482.610 3.631 40 0 JHABLO Cc1ccc2[nH]c(=O)c(C[N@@H+](CCCO)[C@@H](c3nnnn3C3CCCCC3)C(C)C)cc2c1 ZINC000013500546 555441391 /nfs/dbraw/zinc/44/13/91/555441391.db2.gz PVUZJKLNRRZPLP-HSZRJFAPSA-N 1 2 452.603 3.910 40 0 JHABLO Cc1ccc2[nH]c(=O)c(C[N@H+](CCCO)[C@@H](c3nnnn3C3CCCCC3)C(C)C)cc2c1 ZINC000013500546 555441394 /nfs/dbraw/zinc/44/13/94/555441394.db2.gz PVUZJKLNRRZPLP-HSZRJFAPSA-N 1 2 452.603 3.910 40 0 JHABLO CCC[C@H](c1nnnn1CC(=O)OCC)[N@H+](Cc1ccccc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013500784 555443913 /nfs/dbraw/zinc/44/39/13/555443913.db2.gz DGKHTRMTYQLVBB-HSZRJFAPSA-N 1 2 488.592 3.930 40 0 JHABLO CCC[C@H](c1nnnn1CC(=O)OCC)[N@@H+](Cc1ccccc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013500784 555443917 /nfs/dbraw/zinc/44/39/17/555443917.db2.gz DGKHTRMTYQLVBB-HSZRJFAPSA-N 1 2 488.592 3.930 40 0 JHABLO CCC[C@H](c1nnnn1C1CCCC1)[N@H+](CCCO)Cc1cc2cc(OCC)ccc2[nH]c1=O ZINC000013501056 555446697 /nfs/dbraw/zinc/44/66/97/555446697.db2.gz WOMDHHHAUASMMN-HSZRJFAPSA-N 1 2 468.602 3.754 40 0 JHABLO CCC[C@H](c1nnnn1C1CCCC1)[N@@H+](CCCO)Cc1cc2cc(OCC)ccc2[nH]c1=O ZINC000013501056 555446699 /nfs/dbraw/zinc/44/66/99/555446699.db2.gz WOMDHHHAUASMMN-HSZRJFAPSA-N 1 2 468.602 3.754 40 0 JHABLO CCC[C@@H](c1nnnn1CCc1ccc(OC)c(OC)c1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000013505544 555466865 /nfs/dbraw/zinc/46/68/65/555466865.db2.gz LVUDCCDXZUPRIP-QFIPXVFZSA-N 1 2 468.577 3.736 40 0 JHABLO CCCC[C@@H](c1nnnn1CCc1ccc(OC)c(OC)c1)[NH+]1CCN(c2ccccc2OC)CC1 ZINC000013505570 555466872 /nfs/dbraw/zinc/46/68/72/555466872.db2.gz BRICQEIZYHEWKR-QHCPKHFHSA-N 1 2 494.640 3.995 40 0 JHABLO COc1ccc(CCn2nnnc2[C@@H](CC(C)C)[NH+]2CCN(c3ccc(F)cc3)CC2)cc1OC ZINC000013505579 555467327 /nfs/dbraw/zinc/46/73/27/555467327.db2.gz BGLCOYHGOZCESO-HSZRJFAPSA-N 1 2 482.604 3.982 40 0 JHABLO CCC[C@@]1(C(=O)OCC)[NH2+][C@@H](c2cccs2)[C@H]2C(=O)N(c3cccc(C(C)=O)c3)C(=O)[C@H]21 ZINC000020150786 555667443 /nfs/dbraw/zinc/66/74/43/555667443.db2.gz KEUXWOYRIDJUSH-AZXNSQLWSA-N 1 2 454.548 3.503 40 0 JHABLO CC[C@@H](c1nnnn1C1CCCCC1)N(CC[NH+]1CCOCC1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000022928451 555978996 /nfs/dbraw/zinc/97/89/96/555978996.db2.gz XCGYBWDBPQRFKZ-DEOSSOPVSA-N 1 2 493.656 3.614 40 0 JHABLO COc1ccc(OC)c([C@H](c2nnnn2CCC(C)C)N2CC[NH+](Cc3ccccc3OC)CC2)c1 ZINC000022929830 555982465 /nfs/dbraw/zinc/98/24/65/555982465.db2.gz KUVGJZKJNIGOBQ-AREMUKBSSA-N 1 2 494.640 3.652 40 0 JHABLO COC(=O)c1cccc(S(=O)(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c1 ZINC000024256770 556127854 /nfs/dbraw/zinc/12/78/54/556127854.db2.gz ADOQTPCGMBNIBG-UHFFFAOYSA-N 1 2 450.560 3.569 40 0 JHABLO O=C(COc1nc(C[NH+]2CCCCC2)nc2scc(-c3cccs3)c21)N1CCOCC1 ZINC000028616784 556337229 /nfs/dbraw/zinc/33/72/29/556337229.db2.gz HBKROZGPRHBEHA-UHFFFAOYSA-N 1 2 458.609 3.643 40 0 JHABLO c1csc([C@H](c2nnnn2CCc2ccccc2)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)c1 ZINC000019371472 556346960 /nfs/dbraw/zinc/34/69/60/556346960.db2.gz YVSYLHWDHCXCTK-RUZDIDTESA-N 1 2 488.617 3.613 40 0 JHABLO O=C(NCc1ccc(-n2cc[nH+]c2)cc1)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl ZINC000030864851 556383241 /nfs/dbraw/zinc/38/32/41/556383241.db2.gz CZWPWHBCZZWZNZ-UHFFFAOYSA-N 1 2 458.971 3.630 40 0 JHABLO Nc1nc(N2CCCCC2)[nH+]c2c1[C@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)CC(=O)N2 ZINC000019819907 556388578 /nfs/dbraw/zinc/38/85/78/556388578.db2.gz LSTZOARMSKAJED-LLVKDONJSA-N 1 2 468.867 3.786 40 0 JHABLO Cc1cc(C)c2cc(CN(CC[NH+]3CCOCC3)C(=S)Nc3ccc(F)cc3)c(=O)[nH]c2c1 ZINC000019823615 556394083 /nfs/dbraw/zinc/39/40/83/556394083.db2.gz IYKHBLMLDNFRCX-UHFFFAOYSA-N 1 2 468.598 3.815 40 0 JHABLO Cc1ccc(C)c2[nH]c(=O)c(CN(CC[NH+]3CCOCC3)C(=S)N[C@H](C)c3ccccc3)cc12 ZINC000019824101 556395059 /nfs/dbraw/zinc/39/50/59/556395059.db2.gz NVKZFYKKCQBJGX-OAQYLSRUSA-N 1 2 478.662 3.915 40 0 JHABLO Cc1cccc(C)c1NC(=O)CSC1=[NH+][C@H]2CS(=O)(=O)C[C@H]2N1Cc1ccc(Cl)cc1 ZINC000032640084 556460417 /nfs/dbraw/zinc/46/04/17/556460417.db2.gz BKBWGNIVVDKNRF-RBUKOAKNSA-N 1 2 478.039 3.666 40 0 JHABLO Cc1cccc(C)c1NC(=O)CSC1=[NH+][C@@H]2CS(=O)(=O)C[C@@H]2N1Cc1ccc(Cl)cc1 ZINC000032640081 556460461 /nfs/dbraw/zinc/46/04/61/556460461.db2.gz BKBWGNIVVDKNRF-MOPGFXCFSA-N 1 2 478.039 3.666 40 0 JHABLO O=C(CSC1=[NH+][C@@H]2CS(=O)(=O)C[C@@H]2N1Cc1ccc(Cl)cc1)Nc1cccc(Cl)c1 ZINC000032640140 556460661 /nfs/dbraw/zinc/46/06/61/556460661.db2.gz FNAGPTSAAWIZFY-MSOLQXFVSA-N 1 2 484.430 3.703 40 0 JHABLO Cc1cccc(NC(=O)CSC2=[NH+][C@@H]3CS(=O)(=O)C[C@H]3N2Cc2ccc(Cl)cc2)c1C ZINC000032640287 556461888 /nfs/dbraw/zinc/46/18/88/556461888.db2.gz UMPSTVQGZVBXFZ-WOJBJXKFSA-N 1 2 478.039 3.666 40 0 JHABLO COc1cccc(C[NH+](Cc2cccc(OC)n2)C[C@H]2COCc3nc4cc(C)ccc4n32)n1 ZINC000096112405 560060880 /nfs/dbraw/zinc/06/08/80/560060880.db2.gz WKAZHEXNDLMQIM-NRFANRHFSA-N 1 2 459.550 3.926 40 0 biogenic,in-vitro JHABLO CC[C@H](c1nnnn1CCOC)[N@H+](Cc1ccc(C)cc1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000008584101 562940588 /nfs/dbraw/zinc/94/05/88/562940588.db2.gz DSLANSDNYNSJLF-XMMPIXPASA-N 1 2 476.581 3.632 40 0 JHABLO CC[C@H](c1nnnn1CCOC)[N@@H+](Cc1ccc(C)cc1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000008584101 562940590 /nfs/dbraw/zinc/94/05/90/562940590.db2.gz DSLANSDNYNSJLF-XMMPIXPASA-N 1 2 476.581 3.632 40 0 JHABLO COc1ccc(Cn2nnnc2[C@H](c2cc3ccc(OC)cc3[nH]c2=O)[NH+]2CCC(C)CC2)cc1 ZINC000008680582 562951050 /nfs/dbraw/zinc/95/10/50/562951050.db2.gz YWUZYXACBGAZHW-DEOSSOPVSA-N 1 2 474.565 3.814 40 0 JHABLO CC[NH+]1CCN(S(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)cc3Cl)c(F)c2)CC1 ZINC000037093228 569781378 /nfs/dbraw/zinc/78/13/78/569781378.db2.gz AZHIASCFQXKAHB-UHFFFAOYSA-N 1 2 460.358 3.711 40 0 JHABLO Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC[NH+]2CCOCC2)c(C)n1Cc1ccco1 ZINC000223174578 569902071 /nfs/dbraw/zinc/90/20/71/569902071.db2.gz LATKPBXBVIRAGH-RPBOFIJWSA-N 1 2 479.650 3.836 40 0 JHABLO Fc1ccccc1-n1cccc1[C@@H]1[C@H](c2ccccn2)NC(=S)N1CCC[NH+]1CCOCC1 ZINC000223194604 569902872 /nfs/dbraw/zinc/90/28/72/569902872.db2.gz KEQOMJJLQYNLQO-BJKOFHAPSA-N 1 2 465.598 3.706 40 0 JHABLO O=C(Cc1ccccc1)N(Cc1ccc(F)cc1)[C@H](C(=O)NCC[NH+]1CCOCC1)c1ccccc1 ZINC000223493005 569913346 /nfs/dbraw/zinc/91/33/46/569913346.db2.gz ZRGPRSATSKSUIX-NDEPHWFRSA-N 1 2 489.591 3.587 40 0 JHABLO O=C(CN(Cc1ccc(Cl)cc1Cl)S(=O)(=O)c1ccccc1)NCCCn1cc[nH+]c1 ZINC000408617502 569976146 /nfs/dbraw/zinc/97/61/46/569976146.db2.gz CMBGADFOUFFWHF-UHFFFAOYSA-N 1 2 481.405 3.587 40 0 JHABLO COc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)cc1OC ZINC000225845078 570024463 /nfs/dbraw/zinc/02/44/63/570024463.db2.gz CGFKJWLAQJUMJH-JCMHNJIXSA-N 1 2 472.501 3.570 40 0 JHABLO S=C(NCC[NH+]1CCOCC1)Nc1nc(Oc2ccccc2)cc(Oc2ccccc2)n1 ZINC000225905039 570026813 /nfs/dbraw/zinc/02/68/13/570026813.db2.gz BGDKLWYKVUZGCV-UHFFFAOYSA-N 1 2 451.552 3.680 40 0 JHABLO CCC[C@]1(C(=O)OCC)[NH2+][C@H](c2cccs2)[C@@H]2C(=O)N(c3ccc(OCC)cc3)C(=O)[C@@H]21 ZINC000231645157 570046839 /nfs/dbraw/zinc/04/68/39/570046839.db2.gz IGDYNVPJCWRFIT-FIXDAVPBSA-N 1 2 456.564 3.699 40 0 JHABLO CCOc1ccc(N2C(=O)[C@@H]3[C@H](c4ccccc4C)[NH2+][C@@](CCSC)(C(=O)OC)[C@H]3C2=O)cc1 ZINC000245229891 570056300 /nfs/dbraw/zinc/05/63/00/570056300.db2.gz IBZBIEOVNWOVDH-IMIIHFCZSA-N 1 2 482.602 3.509 40 0 JHABLO O=C1NC[C@@H]2CCC[C@@H](CCOc3ccccc3C(=O)N3CC[N@@H+](Cc4cccc(Cl)c4)C[C@@H]13)O2 ZINC000253396808 570096116 /nfs/dbraw/zinc/09/61/16/570096116.db2.gz FBSGDMZNGWGYIY-FIXSFTCYSA-N 1 2 498.023 3.503 40 0 JHABLO O=C1NC[C@@H]2CCC[C@@H](CCOc3ccccc3C(=O)N3CC[N@H+](Cc4cccc(Cl)c4)C[C@@H]13)O2 ZINC000253396808 570096117 /nfs/dbraw/zinc/09/61/17/570096117.db2.gz FBSGDMZNGWGYIY-FIXSFTCYSA-N 1 2 498.023 3.503 40 0 JHABLO CCN(CC)C(=O)C[C@@H]1CCN2C[C@@H]1/C=C\COc1ccccc1C[N@H+](Cc1cccnc1)CC2=O ZINC000253398197 570096220 /nfs/dbraw/zinc/09/62/20/570096220.db2.gz GSESKDDLMSGYPM-JDILOBFZSA-N 1 2 490.648 3.756 40 0 JHABLO CCN(CC)C(=O)C[C@@H]1CCN2C[C@@H]1/C=C\COc1ccccc1C[N@@H+](Cc1cccnc1)CC2=O ZINC000253398197 570096221 /nfs/dbraw/zinc/09/62/21/570096221.db2.gz GSESKDDLMSGYPM-JDILOBFZSA-N 1 2 490.648 3.756 40 0 JHABLO CC[C@H](c1nnnn1C[C@H]1CCCO1)[N@@H+](Cc1cc2cc(C)cc(C)c2[nH]c1=O)C[C@H]1CCCO1 ZINC000253500398 570101864 /nfs/dbraw/zinc/10/18/64/570101864.db2.gz JORQLLYKFZWWQW-DNVJHFABSA-N 1 2 480.613 3.855 40 0 JHABLO CC[C@H](c1nnnn1C[C@H]1CCCO1)[N@H+](Cc1cc2cc(C)cc(C)c2[nH]c1=O)C[C@H]1CCCO1 ZINC000253500398 570101866 /nfs/dbraw/zinc/10/18/66/570101866.db2.gz JORQLLYKFZWWQW-DNVJHFABSA-N 1 2 480.613 3.855 40 0 JHABLO O=C(c1cccc(OCC[NH+]2CCOCC2)c1)N1CCC[C@H](Cc2ccc3cc[nH]c3n2)CC1 ZINC000257214839 570112506 /nfs/dbraw/zinc/11/25/06/570112506.db2.gz CNPXDEFFKHUXEB-NRFANRHFSA-N 1 2 462.594 3.759 40 0 JHABLO CC(=O)N1[C@H](Cc2ccccc2)[C@@H]2C[C@@]3(C)[C@H](CCCC[C@@H]13)N2C(=O)C[N@@H+](C)Cc1ccccn1 ZINC000257214419 570112524 /nfs/dbraw/zinc/11/25/24/570112524.db2.gz CLXHDUHLGLLERH-NWFYCVFPSA-N 1 2 474.649 3.905 40 0 JHABLO CC(=O)N1[C@H](Cc2ccccc2)[C@@H]2C[C@@]3(C)[C@H](CCCC[C@@H]13)N2C(=O)C[N@H+](C)Cc1ccccn1 ZINC000257214419 570112525 /nfs/dbraw/zinc/11/25/25/570112525.db2.gz CLXHDUHLGLLERH-NWFYCVFPSA-N 1 2 474.649 3.905 40 0 JHABLO O=C(c1cccc(OCC[NH+]2CCOCC2)c1)N1CCC[C@H](Cc2cccc3n[nH]cc32)CC1 ZINC000257218522 570113702 /nfs/dbraw/zinc/11/37/02/570113702.db2.gz DDLBYUGXXPGDNX-NRFANRHFSA-N 1 2 462.594 3.759 40 0 JHABLO CNC(=O)c1cccc([C@H]2CN(C(=O)c3cccc(OCc4cccc(F)c4)c3)CC[N@@H+]2C)c1 ZINC000257225508 570115678 /nfs/dbraw/zinc/11/56/78/570115678.db2.gz FGNOXVWXXIHMEL-RUZDIDTESA-N 1 2 461.537 3.893 40 0 JHABLO CNC(=O)c1cccc([C@H]2CN(C(=O)c3cccc(OCc4cccc(F)c4)c3)CC[N@H+]2C)c1 ZINC000257225508 570115680 /nfs/dbraw/zinc/11/56/80/570115680.db2.gz FGNOXVWXXIHMEL-RUZDIDTESA-N 1 2 461.537 3.893 40 0 JHABLO COc1ccc(-c2cnc(N)nc2[C@@H]2CCCN(C(=O)c3cccc(Cn4cc[nH+]c4)c3)C2)cc1 ZINC000257232186 570117632 /nfs/dbraw/zinc/11/76/32/570117632.db2.gz GJTLOLWPGBKEHK-JOCHJYFZSA-N 1 2 468.561 3.999 40 0 JHABLO CN(C)c1cc([C@@H]2CCCN2C(=O)C2(C)CCN(C(=O)Cc3ccccc3F)CC2)cc[nH+]1 ZINC000257250194 570123206 /nfs/dbraw/zinc/12/32/06/570123206.db2.gz JLLHTZIXGPROCW-QFIPXVFZSA-N 1 2 452.574 3.822 40 0 JHABLO C[C@]1(O)C[N@H+](CC(=O)Nc2ncc(Cc3ccccc3F)s2)CC[C@@H]1Oc1ccccc1 ZINC000257263760 570127457 /nfs/dbraw/zinc/12/74/57/570127457.db2.gz LRIFZROCTLBULY-URXFXBBRSA-N 1 2 455.555 3.716 40 0 JHABLO C[C@]1(O)C[N@@H+](CC(=O)Nc2ncc(Cc3ccccc3F)s2)CC[C@@H]1Oc1ccccc1 ZINC000257263760 570127459 /nfs/dbraw/zinc/12/74/59/570127459.db2.gz LRIFZROCTLBULY-URXFXBBRSA-N 1 2 455.555 3.716 40 0 JHABLO COc1ccccc1-c1ccc(CC2(C(=O)N[C@H](C)C[NH+]3CCOCC3)CCOCC2)cc1 ZINC000257281024 570132961 /nfs/dbraw/zinc/13/29/61/570132961.db2.gz ONIWJCPFMFCIES-OAQYLSRUSA-N 1 2 452.595 3.538 40 0 JHABLO CC(=O)N[C@@H]1C[C@@H](C(=O)N(C)C)[N@@H+](Cc2cccc(OCc3ccccn3)c2)[C@H]1c1ccccc1 ZINC000257281411 570133144 /nfs/dbraw/zinc/13/31/44/570133144.db2.gz OPAWXGLUHUPYRS-PVHODMMVSA-N 1 2 472.589 3.569 40 0 JHABLO CC(=O)N[C@@H]1C[C@@H](C(=O)N(C)C)[N@H+](Cc2cccc(OCc3ccccn3)c2)[C@H]1c1ccccc1 ZINC000257281411 570133146 /nfs/dbraw/zinc/13/31/46/570133146.db2.gz OPAWXGLUHUPYRS-PVHODMMVSA-N 1 2 472.589 3.569 40 0 JHABLO CCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@H]2c1cccc(OC(C)=O)c1Cl ZINC000261362377 570167569 /nfs/dbraw/zinc/16/75/69/570167569.db2.gz IXOJHAFWOHUABE-OAQYLSRUSA-O 1 2 471.946 3.741 40 0 JHABLO CCCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@H]2c1cccc(OC)c1OC(C)=O ZINC000261362510 570167701 /nfs/dbraw/zinc/16/77/01/570167701.db2.gz DODFUHRUEFSQQZ-XMMPIXPASA-O 1 2 495.581 3.876 40 0 JHABLO C[C@@H](CO)Nc1nc(NCc2ccc(F)c(F)c2)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000328955937 570179251 /nfs/dbraw/zinc/17/92/51/570179251.db2.gz AEOWVNJTJZFOCP-LBPRGKRZSA-N 1 2 454.399 3.569 40 0 JHABLO C[C@H](CO)Nc1nc(NCc2ccccc2Cl)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000329009110 570181544 /nfs/dbraw/zinc/18/15/44/570181544.db2.gz LVVOMFDMFOGFIH-CYBMUJFWSA-N 1 2 452.864 3.944 40 0 JHABLO CCOC(=O)Cn1nnnc1[C@H](CC)[N@H+](Cc1ccc(F)cc1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000001374224 194108306 /nfs/dbraw/zinc/10/83/06/194108306.db2.gz LNYPGLVTJGAZPN-QHCPKHFHSA-N 1 2 492.555 3.679 40 0 JHABLO CCOC(=O)Cn1nnnc1[C@H](CC)[N@@H+](Cc1ccc(F)cc1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000001374224 194108309 /nfs/dbraw/zinc/10/83/09/194108309.db2.gz LNYPGLVTJGAZPN-QHCPKHFHSA-N 1 2 492.555 3.679 40 0 JHABLO CCOC(=O)Cn1nnnc1[C@H](CC)[N@H+](Cc1cccs1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000001375107 194109404 /nfs/dbraw/zinc/10/94/04/194109404.db2.gz ZWAUJKXRSSTKDF-QFIPXVFZSA-N 1 2 494.621 3.910 40 0 JHABLO CCOC(=O)Cn1nnnc1[C@H](CC)[N@@H+](Cc1cccs1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000001375107 194109407 /nfs/dbraw/zinc/10/94/07/194109407.db2.gz ZWAUJKXRSSTKDF-QFIPXVFZSA-N 1 2 494.621 3.910 40 0 JHABLO CC[C@H](c1nnnn1C1CCCC1)[N@@H+](Cc1cc2cc3c(cc2[nH]c1=O)OCCO3)C[C@@H]1CCCO1 ZINC000057641252 195355333 /nfs/dbraw/zinc/35/53/33/195355333.db2.gz DRLMYAJNPULDOL-RBBKRZOGSA-N 1 2 494.596 3.533 40 0 JHABLO CC[C@H](c1nnnn1C1CCCC1)[N@H+](Cc1cc2cc3c(cc2[nH]c1=O)OCCO3)C[C@@H]1CCCO1 ZINC000057641252 195355336 /nfs/dbraw/zinc/35/53/36/195355336.db2.gz DRLMYAJNPULDOL-RBBKRZOGSA-N 1 2 494.596 3.533 40 0 JHABLO CC[C@H](c1nnnn1CCOC)[N@H+](Cc1ccc(OC)cc1)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000057642421 195356485 /nfs/dbraw/zinc/35/64/85/195356485.db2.gz YXZSPRRMPJPCQK-XMMPIXPASA-N 1 2 490.608 3.940 40 0 JHABLO CC[C@H](c1nnnn1CCOC)[N@@H+](Cc1ccc(OC)cc1)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000057642421 195356487 /nfs/dbraw/zinc/35/64/87/195356487.db2.gz YXZSPRRMPJPCQK-XMMPIXPASA-N 1 2 490.608 3.940 40 0 JHABLO O=C(C[NH+]1CCN(c2nc(-c3ccc(F)cc3)cs2)CC1)Nc1ccccc1N1CCOCC1 ZINC000057688565 195357493 /nfs/dbraw/zinc/35/74/93/195357493.db2.gz OKVMPIZKMGGBEI-UHFFFAOYSA-N 1 2 481.597 3.547 40 0 JHABLO CCOC(=O)[C@@H]1CCC[N@@H+](c2ccc(NCc3cc4cc(OC)c(OC)cc4[nH]c3=O)cc2)C1 ZINC000057718137 195358172 /nfs/dbraw/zinc/35/81/72/195358172.db2.gz WJCSPWJXMHJPHO-QGZVFWFLSA-N 1 2 465.550 3.937 40 0 JHABLO CCOC(=O)[C@@H]1CCC[N@H+](c2ccc(NCc3cc4cc(OC)c(OC)cc4[nH]c3=O)cc2)C1 ZINC000057718137 195358175 /nfs/dbraw/zinc/35/81/75/195358175.db2.gz WJCSPWJXMHJPHO-QGZVFWFLSA-N 1 2 465.550 3.937 40 0 JHABLO O=C(NC1CC[NH+]([C@H]2CC(=O)N(c3cc(Cl)cc(Cl)c3)C2=O)CC1)c1ccc(F)cc1 ZINC000096299804 130053717 /nfs/dbraw/zinc/05/37/17/130053717.db2.gz LYDQSNLWCZAUHQ-IBGZPJMESA-N 1 2 464.324 3.659 40 0 JHABLO CCOc1ccc(N(CC(=O)NCc2ccccc2-n2cc[nH+]c2)S(=O)(=O)c2ccccc2)cc1 ZINC000022428798 521023140 /nfs/dbraw/zinc/02/31/40/521023140.db2.gz RUIXOHRMYHRRHI-UHFFFAOYSA-N 1 2 490.585 3.783 40 0 JHABLO CCOc1ccc2[nH]c(=O)c([C@@H](c3nnnn3Cc3ccc(F)cc3)[NH+]3CCCCC3)cc2c1 ZINC000006196860 521283112 /nfs/dbraw/zinc/28/31/12/521283112.db2.gz RLWIFEYKMTVTPN-QHCPKHFHSA-N 1 2 462.529 3.676 40 0 JHABLO COc1ccc(C)cc1N(CC(=O)NCc1ccc(-n2cc[nH+]c2)cc1)S(=O)(=O)c1ccccc1 ZINC000022429232 523817635 /nfs/dbraw/zinc/81/76/35/523817635.db2.gz OLIBPKVKQXUYBD-UHFFFAOYSA-N 1 2 490.585 3.701 40 0 JHABLO Cc1ccccc1N(CC(=O)NCc1ccccc1-n1cc[nH+]c1)S(=O)(=O)c1ccccc1 ZINC000022427817 525217569 /nfs/dbraw/zinc/21/75/69/525217569.db2.gz YQLRJOURKVOZTG-UHFFFAOYSA-N 1 2 460.559 3.692 40 0 JHABLO Cc1ccc(S(=O)(=O)N(CC[NH+]2CCN(c3ccccc3)CC2)c2ccc3c(c2)OCCO3)cc1 ZINC000016309986 525510376 /nfs/dbraw/zinc/51/03/76/525510376.db2.gz HBPKJJKKNJNCII-UHFFFAOYSA-N 1 2 493.629 3.784 40 0 JHABLO O=C(NC1CCCCC1)N1C[C@H]2C[C@@H](C1)Cn1c(=O)c(-c3ccccc3C[NH+]3CCOCC3)ccc12 ZINC000020503623 527513860 /nfs/dbraw/zinc/51/38/60/527513860.db2.gz IDXFVAQOIAVHRR-JTHBVZDNSA-N 1 2 490.648 3.809 40 0 biogenic,in-vitro JHABLO Cc1ccc2cc(CN(CC[NH+]3CCOCC3)C(=S)Nc3ccc(F)cc3)c(=O)[nH]c2c1C ZINC000000874628 553811348 /nfs/dbraw/zinc/81/13/48/553811348.db2.gz HVKQFRYATLJLNJ-UHFFFAOYSA-N 1 2 468.598 3.815 40 0 JHABLO CCc1ccccc1NC(=S)N(CC[NH+]1CCOCC1)Cc1cc2ccc(OC)cc2[nH]c1=O ZINC000000895015 553831222 /nfs/dbraw/zinc/83/12/22/553831222.db2.gz WEMIMOCQRBTDKN-UHFFFAOYSA-N 1 2 480.634 3.630 40 0 JHABLO CCOc1ccc2[nH]c(=O)c([C@H](c3nnnn3Cc3ccccc3)[NH+]3CCC(C)CC3)cc2c1 ZINC000006197032 554519242 /nfs/dbraw/zinc/51/92/42/554519242.db2.gz VUUNYFUWLFORES-XMMPIXPASA-N 1 2 458.566 3.783 40 0 JHABLO COc1ccc2[nH]c(=O)c([C@@H](c3nnnn3Cc3ccc(F)cc3)[NH+]3CCCCCC3)cc2c1 ZINC000006282642 554525644 /nfs/dbraw/zinc/52/56/44/554525644.db2.gz PLECVBRPOAPOHS-QHCPKHFHSA-N 1 2 462.529 3.676 40 0 JHABLO COc1cc2cc([C@@H](c3nnnn3C3CCCCC3)[N@@H+]3CCC[C@H](C)C3)c(=O)[nH]c2cc1OC ZINC000006283254 554526699 /nfs/dbraw/zinc/52/66/99/554526699.db2.gz RZBSSFRYWRGCFS-HJPURHCSSA-N 1 2 466.586 3.858 40 0 JHABLO COc1cc2cc([C@@H](c3nnnn3C3CCCCC3)[N@H+]3CCC[C@H](C)C3)c(=O)[nH]c2cc1OC ZINC000006283254 554526702 /nfs/dbraw/zinc/52/67/02/554526702.db2.gz RZBSSFRYWRGCFS-HJPURHCSSA-N 1 2 466.586 3.858 40 0 JHABLO CC[C@@H](c1nnnn1C(C)(C)C)[N@H+](CCCN1CCOCC1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013494616 555405499 /nfs/dbraw/zinc/40/54/99/555405499.db2.gz VPVSRLHOUOCOMF-QHCPKHFHSA-N 1 2 495.672 3.562 40 0 JHABLO CC[C@@H](c1nnnn1C(C)(C)C)[N@@H+](CCCN1CCOCC1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013494616 555405503 /nfs/dbraw/zinc/40/55/03/555405503.db2.gz VPVSRLHOUOCOMF-QHCPKHFHSA-N 1 2 495.672 3.562 40 0 JHABLO CCOc1ccc2[nH]c(=O)c([C@H](c3nnnn3CCc3ccccc3)[N@@H+]3CCC[C@@H](C)C3)cc2c1 ZINC000013496090 555410834 /nfs/dbraw/zinc/41/08/34/555410834.db2.gz KQUWBCPTKLENEX-KBMIEXCESA-N 1 2 472.593 3.977 40 0 JHABLO CCOc1ccc2[nH]c(=O)c([C@H](c3nnnn3CCc3ccccc3)[N@H+]3CCC[C@@H](C)C3)cc2c1 ZINC000013496090 555410836 /nfs/dbraw/zinc/41/08/36/555410836.db2.gz KQUWBCPTKLENEX-KBMIEXCESA-N 1 2 472.593 3.977 40 0 JHABLO COCCn1nnnc1[C@@H](C(C)C)[N@H+](Cc1ccc(F)cc1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000013498686 555423385 /nfs/dbraw/zinc/42/33/85/555423385.db2.gz KVHWAHOVFYNDDR-XMMPIXPASA-N 1 2 494.571 3.708 40 0 JHABLO COCCn1nnnc1[C@@H](C(C)C)[N@@H+](Cc1ccc(F)cc1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000013498686 555423387 /nfs/dbraw/zinc/42/33/87/555423387.db2.gz KVHWAHOVFYNDDR-XMMPIXPASA-N 1 2 494.571 3.708 40 0 JHABLO COCCn1nnnc1[C@@H](C(C)C)[N@H+](Cc1ccc(C)cc1)Cc1cc2ccc(OC)cc2[nH]c1=O ZINC000013498750 555424127 /nfs/dbraw/zinc/42/41/27/555424127.db2.gz PRZXHNXRUQHWSG-RUZDIDTESA-N 1 2 490.608 3.878 40 0 JHABLO COCCn1nnnc1[C@@H](C(C)C)[N@@H+](Cc1ccc(C)cc1)Cc1cc2ccc(OC)cc2[nH]c1=O ZINC000013498750 555424128 /nfs/dbraw/zinc/42/41/28/555424128.db2.gz PRZXHNXRUQHWSG-RUZDIDTESA-N 1 2 490.608 3.878 40 0 JHABLO CC(C)[C@H](c1nnnn1C1CCCC1)[N@@H+](Cc1cc2cc3c(cc2[nH]c1=O)OCO3)C[C@@H]1CCCO1 ZINC000013500418 555440170 /nfs/dbraw/zinc/44/01/70/555440170.db2.gz VWOLFWAZZHIGSN-GBXCKJPGSA-N 1 2 494.596 3.737 40 0 JHABLO CC(C)[C@H](c1nnnn1C1CCCC1)[N@H+](Cc1cc2cc3c(cc2[nH]c1=O)OCO3)C[C@@H]1CCCO1 ZINC000013500418 555440171 /nfs/dbraw/zinc/44/01/71/555440171.db2.gz VWOLFWAZZHIGSN-GBXCKJPGSA-N 1 2 494.596 3.737 40 0 JHABLO Cc1cc(C)c2[nH]c(=O)c(C[N@@H+](CCO)[C@@H](c3nnnn3Cc3ccc(F)cc3)C(C)C)cc2c1 ZINC000013500524 555441007 /nfs/dbraw/zinc/44/10/07/555441007.db2.gz JVGFFJVFGYXFCP-XMMPIXPASA-N 1 2 478.572 3.510 40 0 JHABLO Cc1cc(C)c2[nH]c(=O)c(C[N@H+](CCO)[C@@H](c3nnnn3Cc3ccc(F)cc3)C(C)C)cc2c1 ZINC000013500524 555441012 /nfs/dbraw/zinc/44/10/12/555441012.db2.gz JVGFFJVFGYXFCP-XMMPIXPASA-N 1 2 478.572 3.510 40 0 JHABLO CCC[C@H](c1nnnn1Cc1ccc(F)cc1)[N@H+](CCCO)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013501014 555446324 /nfs/dbraw/zinc/44/63/24/555446324.db2.gz WAHAXEZCXQHGBB-HSZRJFAPSA-N 1 2 478.572 3.736 40 0 JHABLO CCC[C@H](c1nnnn1Cc1ccc(F)cc1)[N@@H+](CCCO)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013501014 555446327 /nfs/dbraw/zinc/44/63/27/555446327.db2.gz WAHAXEZCXQHGBB-HSZRJFAPSA-N 1 2 478.572 3.736 40 0 JHABLO CCC[C@H](c1nnnn1Cc1ccccc1)[N@H+](CCCO)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013501012 555446332 /nfs/dbraw/zinc/44/63/32/555446332.db2.gz LKHDIPKWEVMWPF-HSZRJFAPSA-N 1 2 460.582 3.597 40 0 JHABLO CCC[C@H](c1nnnn1Cc1ccccc1)[N@@H+](CCCO)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013501012 555446333 /nfs/dbraw/zinc/44/63/33/555446333.db2.gz LKHDIPKWEVMWPF-HSZRJFAPSA-N 1 2 460.582 3.597 40 0 JHABLO CCCC[C@H](c1nnnn1C[C@@H]1CCCO1)[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000013504334 555463344 /nfs/dbraw/zinc/46/33/44/555463344.db2.gz OVAXHLSCAMWCRY-VQTJNVASSA-N 1 2 452.525 3.924 40 0 JHABLO CC(C)C[C@@H](c1nnnn1C[C@H]1CCCO1)[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000013504341 555463650 /nfs/dbraw/zinc/46/36/50/555463650.db2.gz FDBKSYLIJIQCBT-UXHICEINSA-N 1 2 452.525 3.780 40 0 JHABLO Cc1ccc(CN(c2ccc3sc(C(=O)N4CC[NH+](C)CC4)cc3c2)S(C)(=O)=O)cc1 ZINC000013584262 555521869 /nfs/dbraw/zinc/52/18/69/555521869.db2.gz RPQSWYLCRNDGLI-UHFFFAOYSA-N 1 2 457.621 3.564 40 0 JHABLO O=C(CN1c2ccc(F)cc2-c2ccccc2S1(=O)=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000019869118 555523899 /nfs/dbraw/zinc/52/38/99/555523899.db2.gz ZMOUPKYQBQDSCS-RMKNXTFCSA-N 1 2 491.588 3.859 40 0 JHABLO CCc1ccccc1NC(=S)N(CC[NH+]1CCOCC1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000019941002 555559758 /nfs/dbraw/zinc/55/97/58/555559758.db2.gz XOKXAIUNVLWUME-UHFFFAOYSA-N 1 2 480.634 3.630 40 0 JHABLO CC[C@H](C(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1)N(c1cccc(Cl)c1)S(C)(=O)=O ZINC000013712821 555590215 /nfs/dbraw/zinc/59/02/15/555590215.db2.gz ABLQAXZXKYYUCS-OXHGWOFKSA-N 1 2 476.042 3.742 40 0 JHABLO O=C(CN(c1ccccc1)S(=O)(=O)c1ccc(F)cc1)NCc1ccccc1-n1cc[nH+]c1 ZINC000020042113 555614397 /nfs/dbraw/zinc/61/43/97/555614397.db2.gz SWIYXBVJFVQXBC-UHFFFAOYSA-N 1 2 464.522 3.523 40 0 JHABLO Cc1cc2cc(C[N@H+](CCc3ccccc3)Cc3nnnn3C[C@H]3CCCO3)c(=O)[nH]c2cc1C ZINC000020081777 555630448 /nfs/dbraw/zinc/63/04/48/555630448.db2.gz HKOJVUCPTCFHJX-XMMPIXPASA-N 1 2 472.593 3.555 40 0 JHABLO Cc1cc2cc(C[N@@H+](CCc3ccccc3)Cc3nnnn3C[C@H]3CCCO3)c(=O)[nH]c2cc1C ZINC000020081777 555630450 /nfs/dbraw/zinc/63/04/50/555630450.db2.gz HKOJVUCPTCFHJX-XMMPIXPASA-N 1 2 472.593 3.555 40 0 JHABLO Cc1ccc(C)c2[nH]c(=O)c([C@@H](c3nnnn3C3CCCC3)N3CC[NH+](Cc4cccnc4)CC3)cc12 ZINC000020083469 555631312 /nfs/dbraw/zinc/63/13/12/555631312.db2.gz LJNLTYRPXJFJRZ-SANMLTNESA-N 1 2 498.635 3.549 40 0 JHABLO CC(=O)Nc1ccc(CN2Cc3[nH+]c[nH]c3C[C@H]2C(=O)NCc2ccc(C(F)(F)F)cc2)cc1 ZINC000015676375 555937313 /nfs/dbraw/zinc/93/73/13/555937313.db2.gz LLAOKLVHBOMJFY-QFIPXVFZSA-N 1 2 471.483 3.630 40 0 biogenic,in-vitro JHABLO CC(=O)Nc1ccc(CN2Cc3[nH]c[nH+]c3C[C@H]2C(=O)NCc2ccc(C(F)(F)F)cc2)cc1 ZINC000015676375 555937315 /nfs/dbraw/zinc/93/73/15/555937315.db2.gz LLAOKLVHBOMJFY-QFIPXVFZSA-N 1 2 471.483 3.630 40 0 biogenic,in-vitro JHABLO CCOC(=O)[C@@H]1[C@H](c2ccc(N(C)C)cc2)c2cc3c(cc2O[C@@]1(C)[NH+]1CCCC1)OCO3 ZINC000031772001 556402917 /nfs/dbraw/zinc/40/29/17/556402917.db2.gz ZRDRXBHVGVGLEY-RMTZWNOUSA-N 1 2 452.551 3.997 40 0 JHABLO CCOC(=O)[C@H]1[C@H](c2ccc(OC)c(O)c2)c2cc3c(cc2O[C@@]1(C)[NH+]1CCCC1)OCO3 ZINC000031772123 556403000 /nfs/dbraw/zinc/40/30/00/556403000.db2.gz XXXMYHVZBRTHKQ-VDKIKQQVSA-N 1 2 455.507 3.645 40 0 JHABLO CC1(C)[C@H](Cc2cc(C[NH+]3CCN(c4ccccc4)CC3)on2)C[C@@H]1NS(=O)(=O)c1ccccc1 ZINC000067890360 560050147 /nfs/dbraw/zinc/05/01/47/560050147.db2.gz CPNQTCIZHSNARI-RLWLMLJZSA-N 1 2 494.661 3.933 40 0 biogenic,in-vitro JHABLO CCOc1ccc2[nH]c(=O)c([C@H](c3nnnn3CCc3ccccc3)[N@@H+]3CCC[C@H](C)C3)cc2c1 ZINC000033937202 569638625 /nfs/dbraw/zinc/63/86/25/569638625.db2.gz KQUWBCPTKLENEX-UQBPGWFLSA-N 1 2 472.593 3.977 40 0 JHABLO CCOc1ccc2[nH]c(=O)c([C@H](c3nnnn3CCc3ccccc3)[N@H+]3CCC[C@H](C)C3)cc2c1 ZINC000033937202 569638626 /nfs/dbraw/zinc/63/86/26/569638626.db2.gz KQUWBCPTKLENEX-UQBPGWFLSA-N 1 2 472.593 3.977 40 0 JHABLO Cc1nc(-c2nc(-c3cc(C(=O)NCC[NH+]4CCOCC4)c4ccccn34)cs2)cs1 ZINC000096154863 569736630 /nfs/dbraw/zinc/73/66/30/569736630.db2.gz GYLKPXMTZZZQOU-UHFFFAOYSA-N 1 2 453.593 3.557 40 0 JHABLO C[C@H]1CCC=C2C[C@H]3OC(=O)[C@H](CN4CC[NH+](C/C=C/c5ccccc5)CC4)[C@H]3[C@H](O)[C@@]21C ZINC000036369557 569773095 /nfs/dbraw/zinc/77/30/95/569773095.db2.gz OENXBRAOGMLWJQ-BPMXNDJWSA-N 1 2 450.623 3.602 40 0 JHABLO CC[C@@H](NC(=O)c1ccc(CS(=O)(=O)N2CC[NH+](C)CC2)cc1)c1ccc2c(c1)CCCC2 ZINC000223111611 569899691 /nfs/dbraw/zinc/89/96/91/569899691.db2.gz RCFRFBYNLPPVMX-RUZDIDTESA-N 1 2 469.651 3.524 40 0 JHABLO S=C1N[C@@H](c2ccccn2)[C@@H](c2cccn2-c2nc3ccccc3s2)N1CC[NH+]1CCOCC1 ZINC000223130271 569900476 /nfs/dbraw/zinc/90/04/76/569900476.db2.gz IGALUBFJHHRXDD-XZOQPEGZSA-N 1 2 490.658 3.787 40 0 JHABLO S=C1N[C@H](c2ccccn2)[C@H](c2cccn2-c2cccc(Cl)c2)N1CC[NH+]1CCOCC1 ZINC000223132553 569900578 /nfs/dbraw/zinc/90/05/78/569900578.db2.gz QZDKXYRHDYOXPT-PKTZIBPZSA-N 1 2 468.026 3.830 40 0 JHABLO S=C1N[C@@H](c2ccccn2)[C@H](c2cccn2-c2cccc(Cl)c2)N1CC[NH+]1CCOCC1 ZINC000223132498 569900587 /nfs/dbraw/zinc/90/05/87/569900587.db2.gz QZDKXYRHDYOXPT-GOTSBHOMSA-N 1 2 468.026 3.830 40 0 JHABLO CCOc1ccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2CC[NH+]2CCOCC2)cc1 ZINC000223153504 569901248 /nfs/dbraw/zinc/90/12/48/569901248.db2.gz NWPQEMCKMOCRJG-RPBOFIJWSA-N 1 2 477.634 3.576 40 0 JHABLO S=C1N[C@H](c2ccccn2)[C@@H](c2cc(Br)cs2)N1CCC[NH+]1CCOCC1 ZINC000223168911 569901863 /nfs/dbraw/zinc/90/18/63/569901863.db2.gz RCBNAIZYYSNEEB-QZTJIDSGSA-N 1 2 467.458 3.600 40 0 JHABLO Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC[NH+]2CCOCC2)c(C)n1Cc1ccncc1 ZINC000223171849 569901930 /nfs/dbraw/zinc/90/19/30/569901930.db2.gz MNCVPHJIPHXEGL-CLJLJLNGSA-N 1 2 490.677 3.638 40 0 JHABLO CCOc1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC[NH+]2CCOCC2)cc1 ZINC000223196569 569903033 /nfs/dbraw/zinc/90/30/33/569903033.db2.gz MQHYCWGFXQSEHD-IZZNHLLZSA-N 1 2 491.661 3.966 40 0 JHABLO Cc1cc(C)c([C@H](C)NC(=O)c2cc(S(=O)(=O)N3CC[NH+](C)CC3)ccc2Cl)cc1C ZINC000223478294 569912663 /nfs/dbraw/zinc/91/26/63/569912663.db2.gz DXDMKGPVHHQMQU-SFHVURJKSA-N 1 2 464.031 3.692 40 0 JHABLO COc1cccc(OCc2cc(C(=O)N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)ccc2OC)c1 ZINC000224258147 569938327 /nfs/dbraw/zinc/93/83/27/569938327.db2.gz MLSOWLPNOHDXPB-UHFFFAOYSA-N 1 2 490.556 3.970 40 0 JHABLO Cc1cc(C(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)ccc1NS(=O)(=O)c1ccccc1 ZINC000224562160 569948523 /nfs/dbraw/zinc/94/85/23/569948523.db2.gz ZLCCYHHKWIDVLH-UHFFFAOYSA-N 1 2 479.602 3.558 40 0 JHABLO Cc1ccc(C(=O)NCc2cccc(C[NH+]3CCOCC3)c2)cc1S(=O)(=O)Nc1ccccc1 ZINC000224722939 569954782 /nfs/dbraw/zinc/95/47/82/569954782.db2.gz WPZHWPJZHMYQJW-UHFFFAOYSA-N 1 2 479.602 3.558 40 0 JHABLO Cc1ccc(CN(CC(=O)NCCCn2cc[nH+]c2)S(=O)(=O)c2c(C)cc(C)cc2C)cc1 ZINC000408623473 569979337 /nfs/dbraw/zinc/97/93/37/569979337.db2.gz RESSBDZMKGRSAM-UHFFFAOYSA-N 1 2 468.623 3.514 40 0 JHABLO COc1ccc(Cn2nnnc2[C@@H](c2cc3cc(OC)ccc3[nH]c2=O)[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000253499990 570101162 /nfs/dbraw/zinc/10/11/62/570101162.db2.gz KVSSSNVVAGMSOO-BXKMTCNYSA-N 1 2 474.565 3.814 40 0 JHABLO COc1ccc(Cn2nnnc2[C@@H](c2cc3cc(OC)ccc3[nH]c2=O)[N@H+]2CCC[C@H](C)C2)cc1 ZINC000253499990 570101163 /nfs/dbraw/zinc/10/11/63/570101163.db2.gz KVSSSNVVAGMSOO-BXKMTCNYSA-N 1 2 474.565 3.814 40 0 JHABLO CCC[C@@H](c1nnnn1CC(=O)OCC)[N@@H+](Cc1cc2c(C)cc(C)cc2[nH]c1=O)C[C@H]1CCCO1 ZINC000253500328 570101594 /nfs/dbraw/zinc/10/15/94/570101594.db2.gz CODOBWPOQRSYOQ-OFNKIYASSA-N 1 2 496.612 3.629 40 0 JHABLO CCC[C@@H](c1nnnn1CC(=O)OCC)[N@H+](Cc1cc2c(C)cc(C)cc2[nH]c1=O)C[C@H]1CCCO1 ZINC000253500328 570101595 /nfs/dbraw/zinc/10/15/95/570101595.db2.gz CODOBWPOQRSYOQ-OFNKIYASSA-N 1 2 496.612 3.629 40 0 JHABLO CC[C@@H](c1nnnn1Cc1ccco1)[N@@H+](Cc1cc2cc(OC)ccc2[nH]c1=O)C[C@H]1CCCO1 ZINC000253500435 570101858 /nfs/dbraw/zinc/10/18/58/570101858.db2.gz OBUCIUYJJGOEGB-OFNKIYASSA-N 1 2 478.553 3.709 40 0 JHABLO CC[C@@H](c1nnnn1Cc1ccco1)[N@H+](Cc1cc2cc(OC)ccc2[nH]c1=O)C[C@H]1CCCO1 ZINC000253500435 570101860 /nfs/dbraw/zinc/10/18/60/570101860.db2.gz OBUCIUYJJGOEGB-OFNKIYASSA-N 1 2 478.553 3.709 40 0 JHABLO O=C(C[N@H+]1C[C@@H](c2cc(F)cc(F)c2)[C@]2(C1)CCCCC(=O)N2)Nc1ccnn1C1CCCC1 ZINC000257201761 570108349 /nfs/dbraw/zinc/10/83/49/570108349.db2.gz AIYDKLMOQLDARY-SQJMNOBHSA-N 1 2 471.552 3.743 40 0 JHABLO O=C(C[N@@H+]1C[C@@H](c2cc(F)cc(F)c2)[C@]2(C1)CCCCC(=O)N2)Nc1ccnn1C1CCCC1 ZINC000257201761 570108350 /nfs/dbraw/zinc/10/83/50/570108350.db2.gz AIYDKLMOQLDARY-SQJMNOBHSA-N 1 2 471.552 3.743 40 0 JHABLO O=C(c1cccc(OCC[NH+]2CCOCC2)c1)N1CCC[C@@H](Cc2ccc3cc[nH]c3n2)CC1 ZINC000257214840 570112499 /nfs/dbraw/zinc/11/24/99/570112499.db2.gz CNPXDEFFKHUXEB-OAQYLSRUSA-N 1 2 462.594 3.759 40 0 JHABLO O=C(c1ccccc1C[NH+]1CCOCC1)N1CCC[C@]2(CN(c3cccc(F)c3)C(=O)O2)CC1 ZINC000257216541 570113013 /nfs/dbraw/zinc/11/30/13/570113013.db2.gz CUYUBDFFOVMLRG-AREMUKBSSA-N 1 2 467.541 3.680 40 0 JHABLO Cc1ccc(C(=O)N2CCOC[C@@H](Cc3ccc4[nH+]ccn4c3)C2)cc1NCc1ccncc1 ZINC000257234560 570118470 /nfs/dbraw/zinc/11/84/70/570118470.db2.gz GUDFHGXSODFBNU-QHCPKHFHSA-N 1 2 455.562 3.981 40 0 JHABLO CN(Cc1ccccc1)C(=O)C[C@H]1CN(C(=O)CCn2cc[nH+]c2)CC[C@@H]1Oc1ccccc1 ZINC000257259371 570126119 /nfs/dbraw/zinc/12/61/19/570126119.db2.gz KYCFDHQJEAGWPQ-ZCYQVOJMSA-N 1 2 460.578 3.618 40 0 JHABLO O=C(c1ccccc1C[NH+]1CCOCC1)N1CCC[C@]2(CN(Cc3ccccc3)C(=O)O2)CC1 ZINC000257274781 570131024 /nfs/dbraw/zinc/13/10/24/570131024.db2.gz NMQCQLQXWAIZSJ-HHHXNRCGSA-N 1 2 463.578 3.536 40 0 JHABLO CN(C[C@@]1(O)CCCN(c2cc[nH+]c3ccncc32)C1)C(=O)CCc1cn(C)c2ccccc12 ZINC000257275684 570131324 /nfs/dbraw/zinc/13/13/24/570131324.db2.gz NQLSEOOJLHYZFQ-MHZLTWQESA-N 1 2 457.578 3.544 40 0 JHABLO CN(C)c1cc([C@@H]2CCCN(C(=O)C3(C)CCN(C(=O)Cc4ccc(F)cc4)CC3)C2)cc[nH+]1 ZINC000257301168 570138788 /nfs/dbraw/zinc/13/87/88/570138788.db2.gz RXGUPORXGXUQNV-JOCHJYFZSA-N 1 2 466.601 3.864 40 0 JHABLO COc1ccc(Oc2nccnc2C2CCN(C(=O)[C@@H]3COCC[N@@H+]3C3CCCC3)CC2)cc1 ZINC000257316105 570143366 /nfs/dbraw/zinc/14/33/66/570143366.db2.gz VEDIUCVRZSMXLT-QHCPKHFHSA-N 1 2 466.582 3.627 40 0 JHABLO COc1ccc(Oc2nccnc2C2CCN(C(=O)[C@@H]3COCC[N@H+]3C3CCCC3)CC2)cc1 ZINC000257316105 570143368 /nfs/dbraw/zinc/14/33/68/570143368.db2.gz VEDIUCVRZSMXLT-QHCPKHFHSA-N 1 2 466.582 3.627 40 0 JHABLO COc1ccc(Br)cc1[C@@H]1N(C(C)=O)c2ccccc2-c2c(=O)[nH]c(SC)n[n+]21 ZINC000261362999 570167739 /nfs/dbraw/zinc/16/77/39/570167739.db2.gz FPFZOKFKYAPENK-LJQANCHMSA-O 1 2 474.360 3.543 40 0 JHABLO CCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@H]2c1cc2c(cc1Cl)OCO2 ZINC000261364313 570168540 /nfs/dbraw/zinc/16/85/40/570168540.db2.gz KPSJRMAGEKCBQD-HXUWFJFHSA-O 1 2 457.919 3.544 40 0 JHABLO O=C(c1nc([C@H]2CCCN(C(=O)c3ccccc3)C2)n2ccccc12)N1CCN(c2cccc[nH+]2)CC1 ZINC000306137262 570178608 /nfs/dbraw/zinc/17/86/08/570178608.db2.gz QRCFDPATOJYEOQ-QHCPKHFHSA-N 1 2 494.599 3.712 40 0 JHABLO C[C@@H](CO)Nc1nc(NCc2ccccc2Cl)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000329009111 570181465 /nfs/dbraw/zinc/18/14/65/570181465.db2.gz LVVOMFDMFOGFIH-ZDUSSCGKSA-N 1 2 452.864 3.944 40 0 JHABLO C[C@@H](CO)Nc1nc(Nc2ccc(I)cc2Cl)cc(-c2ccccc2)[nH+]1 ZINC000329066375 570183770 /nfs/dbraw/zinc/18/37/70/570183770.db2.gz YARKEPXCEDLVNV-LBPRGKRZSA-N 1 2 480.737 3.782 40 0 JHABLO Cc1ccc2cc(CN(CC[NH+]3CCOCC3)C(=O)Nc3ccccc3F)c(=O)[nH]c2c1C ZINC000001378362 194112373 /nfs/dbraw/zinc/11/23/73/194112373.db2.gz TXOBVEUTSFIAOM-UHFFFAOYSA-N 1 2 452.530 3.650 40 0 JHABLO COc1cc2cc([C@H](c3nnnn3C3CCCCC3)[N@@H+]3CCC[C@@H](C)C3)c(=O)[nH]c2cc1OC ZINC000012712871 195095770 /nfs/dbraw/zinc/09/57/70/195095770.db2.gz RZBSSFRYWRGCFS-WAIKUNEKSA-N 1 2 466.586 3.858 40 0 JHABLO COc1cc2cc([C@H](c3nnnn3C3CCCCC3)[N@H+]3CCC[C@@H](C)C3)c(=O)[nH]c2cc1OC ZINC000012712871 195095772 /nfs/dbraw/zinc/09/57/72/195095772.db2.gz RZBSSFRYWRGCFS-WAIKUNEKSA-N 1 2 466.586 3.858 40 0 JHABLO O=C(c1ccc(F)cc1)N1CCCc2cc(S(=O)(=O)N3CC[NH+](Cc4ccccc4)CC3)ccc21 ZINC000020766928 195222441 /nfs/dbraw/zinc/22/24/41/195222441.db2.gz FCRYBGOFBGUIKB-UHFFFAOYSA-N 1 2 493.604 3.925 40 0 JHABLO CC[C@@H](c1nnnn1C1CCCC1)[N@@H+](Cc1cc2cc(OC)ccc2[nH]c1=O)C[C@@H]1CCCO1 ZINC000057640897 195354755 /nfs/dbraw/zinc/35/47/55/195354755.db2.gz AHFUGTPDJLAUKX-GMAHTHKFSA-N 1 2 466.586 3.771 40 0 JHABLO CC[C@@H](c1nnnn1C1CCCC1)[N@H+](Cc1cc2cc(OC)ccc2[nH]c1=O)C[C@@H]1CCCO1 ZINC000057640897 195354757 /nfs/dbraw/zinc/35/47/57/195354757.db2.gz AHFUGTPDJLAUKX-GMAHTHKFSA-N 1 2 466.586 3.771 40 0 JHABLO CC[C@H](c1nnnn1C[C@@H]1CCCO1)[N@H+](Cc1cccs1)Cc1cc2ccc(OC)cc2[nH]c1=O ZINC000057641189 195354972 /nfs/dbraw/zinc/35/49/72/195354972.db2.gz PAKOTLLFRHYDHD-NZQKXSOJSA-N 1 2 494.621 3.917 40 0 JHABLO CC[C@H](c1nnnn1C[C@@H]1CCCO1)[N@@H+](Cc1cccs1)Cc1cc2ccc(OC)cc2[nH]c1=O ZINC000057641189 195354974 /nfs/dbraw/zinc/35/49/74/195354974.db2.gz PAKOTLLFRHYDHD-NZQKXSOJSA-N 1 2 494.621 3.917 40 0 JHABLO COc1ccc(-c2cnc3n2CC[N@@H+](C)C32CCN(C(=O)C3CCC(OC)CC3)CC2)cc1 ZINC000096263342 130003259 /nfs/dbraw/zinc/00/32/59/130003259.db2.gz HJJQTUDFVBRSKE-UHFFFAOYSA-N 1 2 452.599 3.527 40 0 JHABLO COc1ccc(-c2cnc3n2CC[N@H+](C)C32CCN(C(=O)C3CCC(OC)CC3)CC2)cc1 ZINC000096263342 130003261 /nfs/dbraw/zinc/00/32/61/130003261.db2.gz HJJQTUDFVBRSKE-UHFFFAOYSA-N 1 2 452.599 3.527 40 0 JHABLO CCOc1ccc(N2C(=O)[C@H]3[C@H](c4ccccc4C)[NH2+][C@@](CCSC)(C(=O)OC)[C@@H]3C2=O)cc1 ZINC000012497838 521038855 /nfs/dbraw/zinc/03/88/55/521038855.db2.gz IBZBIEOVNWOVDH-FYBXHKAZSA-N 1 2 482.602 3.509 40 0 JHABLO COc1ccc(C(=O)N[C@H]2C[C@@H](c3nc(-c4ccc(OC(F)(F)F)cc4)no3)[N@H+](C)C2)cc1 ZINC000020464057 523739703 /nfs/dbraw/zinc/73/97/03/523739703.db2.gz RMSTYLPCGFPYRM-YJBOKZPZSA-N 1 2 462.428 3.819 40 0 biogenic,in-vitro JHABLO COc1ccc(C(=O)N[C@H]2C[C@@H](c3nc(-c4ccc(OC(F)(F)F)cc4)no3)[N@@H+](C)C2)cc1 ZINC000020464057 523739710 /nfs/dbraw/zinc/73/97/10/523739710.db2.gz RMSTYLPCGFPYRM-YJBOKZPZSA-N 1 2 462.428 3.819 40 0 biogenic,in-vitro JHABLO C[N@@H+]1C[C@@H](NC(=O)c2ccc(F)cc2)C[C@H]1c1nc(-c2ccc(OC(F)(F)F)cc2)no1 ZINC000020464065 524012479 /nfs/dbraw/zinc/01/24/79/524012479.db2.gz LLDGJSOZUGWVRG-RDJZCZTQSA-N 1 2 450.392 3.950 40 0 biogenic,in-vitro JHABLO C[N@H+]1C[C@@H](NC(=O)c2ccc(F)cc2)C[C@H]1c1nc(-c2ccc(OC(F)(F)F)cc2)no1 ZINC000020464065 524012482 /nfs/dbraw/zinc/01/24/82/524012482.db2.gz LLDGJSOZUGWVRG-RDJZCZTQSA-N 1 2 450.392 3.950 40 0 biogenic,in-vitro JHABLO Cc1cccc(N(CC(=O)NCc2ccccc2-n2cc[nH+]c2)S(=O)(=O)c2ccccc2)c1 ZINC000020457964 524524185 /nfs/dbraw/zinc/52/41/85/524524185.db2.gz FSMCVQLQGLSYPQ-UHFFFAOYSA-N 1 2 460.559 3.692 40 0 JHABLO COc1ccc2[nH]c(=O)c([C@@H](c3nnnn3Cc3ccc(F)cc3)[NH+]3CCC(C)CC3)cc2c1 ZINC000006148932 525476586 /nfs/dbraw/zinc/47/65/86/525476586.db2.gz ZSKIHHDYYIXPED-QHCPKHFHSA-N 1 2 462.529 3.532 40 0 JHABLO Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(-n3cc[nH+]c3)cc2)c2ccc(F)cc2)cc1 ZINC000022431592 525505019 /nfs/dbraw/zinc/50/50/19/525505019.db2.gz UAPDOYMBXHRBQI-UHFFFAOYSA-N 1 2 478.549 3.832 40 0 JHABLO Cc1ccc2[nH]c(=O)c(CN(CC[NH+]3CCOCC3)C(=S)N[C@@H](C)c3ccccc3)cc2c1 ZINC000026099832 526095072 /nfs/dbraw/zinc/09/50/72/526095072.db2.gz ZAKWNVNMUOFMKL-FQEVSTJZSA-N 1 2 464.635 3.606 40 0 JHABLO O=C(c1ccccc1)N1C[C@H]2C[C@@H](C1)Cn1c2ccc(-c2ccccc2C[NH+]2CCOCC2)c1=O ZINC000020503599 526796020 /nfs/dbraw/zinc/79/60/20/526796020.db2.gz IGCSFBOBGNLBFA-XUZZJYLKSA-N 1 2 469.585 3.607 40 0 biogenic,in-vitro JHABLO O=C(CN1c2ccc(F)cc2-c2ccccc2S1(=O)=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000044945893 526826459 /nfs/dbraw/zinc/82/64/59/526826459.db2.gz ARBIWOIETUELRE-UHFFFAOYSA-N 1 2 462.506 3.504 40 0 JHABLO Cc1ccc2cc(C[N@@H+](Cc3ccco3)[C@H](c3nnnn3C[C@H]3CCCO3)C(C)C)c(=O)[nH]c2c1 ZINC000001333975 553949523 /nfs/dbraw/zinc/94/95/23/553949523.db2.gz LMVJKZQBEOKUQU-VWNXMTODSA-N 1 2 476.581 3.995 40 0 JHABLO Cc1ccc2cc(C[N@H+](Cc3ccco3)[C@H](c3nnnn3C[C@H]3CCCO3)C(C)C)c(=O)[nH]c2c1 ZINC000001333975 553949525 /nfs/dbraw/zinc/94/95/25/553949525.db2.gz LMVJKZQBEOKUQU-VWNXMTODSA-N 1 2 476.581 3.995 40 0 JHABLO CCOc1ccc2[nH]c(=O)c([C@H](c3nnnn3Cc3ccc(OC)cc3)[NH+]3CCC(C)CC3)cc2c1 ZINC000006197019 554518875 /nfs/dbraw/zinc/51/88/75/554518875.db2.gz NYJNQZPYBNHPSK-RUZDIDTESA-N 1 2 488.592 3.792 40 0 JHABLO COc1ccc(Cn2nnnc2[C@H](c2cc3cc(C)cc(C)c3[nH]c2=O)[NH+]2CCCCC2)cc1 ZINC000006300850 554529417 /nfs/dbraw/zinc/52/94/17/554529417.db2.gz MIDTYNOBNOPHKF-DEOSSOPVSA-N 1 2 458.566 3.764 40 0 JHABLO COc1ccc(Cn2nnnc2[C@@H](c2cc3ccc(C)c(C)c3[nH]c2=O)[NH+]2CCCCC2)cc1 ZINC000006442573 554536736 /nfs/dbraw/zinc/53/67/36/554536736.db2.gz OBRVVTOWJOBVLC-XMMPIXPASA-N 1 2 458.566 3.764 40 0 JHABLO Cc1ccc2cc(C[N@@H+](Cc3ccco3)[C@H](c3nnnn3C[C@@H]3CCCO3)C(C)C)c(=O)[nH]c2c1 ZINC000013498535 555421645 /nfs/dbraw/zinc/42/16/45/555421645.db2.gz LMVJKZQBEOKUQU-UPVQGACJSA-N 1 2 476.581 3.995 40 0 JHABLO Cc1ccc2cc(C[N@H+](Cc3ccco3)[C@H](c3nnnn3C[C@@H]3CCCO3)C(C)C)c(=O)[nH]c2c1 ZINC000013498535 555421648 /nfs/dbraw/zinc/42/16/48/555421648.db2.gz LMVJKZQBEOKUQU-UPVQGACJSA-N 1 2 476.581 3.995 40 0 JHABLO COCCn1nnnc1[C@H](C(C)C)[N@H+](Cc1ccccc1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000013498590 555422557 /nfs/dbraw/zinc/42/25/57/555422557.db2.gz PTXNEAXMDWOCFT-DEOSSOPVSA-N 1 2 460.582 3.869 40 0 JHABLO COCCn1nnnc1[C@H](C(C)C)[N@@H+](Cc1ccccc1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000013498590 555422561 /nfs/dbraw/zinc/42/25/61/555422561.db2.gz PTXNEAXMDWOCFT-DEOSSOPVSA-N 1 2 460.582 3.869 40 0 JHABLO COc1ccc2cc(C[N@H+](C[C@@H]3CCCO3)[C@H](c3nnnn3C(C)(C)C)C(C)C)c(=O)[nH]c2c1 ZINC000013498704 555423830 /nfs/dbraw/zinc/42/38/30/555423830.db2.gz GKBGIJIECCDUGP-UNMCSNQZSA-N 1 2 468.602 3.657 40 0 JHABLO COc1ccc2cc(C[N@@H+](C[C@@H]3CCCO3)[C@H](c3nnnn3C(C)(C)C)C(C)C)c(=O)[nH]c2c1 ZINC000013498704 555423832 /nfs/dbraw/zinc/42/38/32/555423832.db2.gz GKBGIJIECCDUGP-UNMCSNQZSA-N 1 2 468.602 3.657 40 0 JHABLO COc1ccc2cc(C[N@H+](C[C@H]3CCCO3)[C@H](c3nnnn3C(C)(C)C)C(C)C)c(=O)[nH]c2c1 ZINC000013498705 555423837 /nfs/dbraw/zinc/42/38/37/555423837.db2.gz GKBGIJIECCDUGP-IRLDBZIGSA-N 1 2 468.602 3.657 40 0 JHABLO COc1ccc2cc(C[N@@H+](C[C@H]3CCCO3)[C@H](c3nnnn3C(C)(C)C)C(C)C)c(=O)[nH]c2c1 ZINC000013498705 555423840 /nfs/dbraw/zinc/42/38/40/555423840.db2.gz GKBGIJIECCDUGP-IRLDBZIGSA-N 1 2 468.602 3.657 40 0 JHABLO COCCn1nnnc1[C@H](C(C)C)[N@H+](Cc1ccc(F)cc1)Cc1cc2ccc(OC)cc2[nH]c1=O ZINC000013498773 555424678 /nfs/dbraw/zinc/42/46/78/555424678.db2.gz VBKBLJPPBPUEKD-DEOSSOPVSA-N 1 2 494.571 3.708 40 0 JHABLO COCCn1nnnc1[C@H](C(C)C)[N@@H+](Cc1ccc(F)cc1)Cc1cc2ccc(OC)cc2[nH]c1=O ZINC000013498773 555424680 /nfs/dbraw/zinc/42/46/80/555424680.db2.gz VBKBLJPPBPUEKD-DEOSSOPVSA-N 1 2 494.571 3.708 40 0 JHABLO CCC[C@@H](c1nnnn1CC(=O)OCC)[N@H+](Cc1cccs1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000013499322 555430364 /nfs/dbraw/zinc/43/03/64/555430364.db2.gz WJUUHUJDOLGECU-QFIPXVFZSA-N 1 2 494.621 3.991 40 0 JHABLO CCC[C@@H](c1nnnn1CC(=O)OCC)[N@@H+](Cc1cccs1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000013499322 555430366 /nfs/dbraw/zinc/43/03/66/555430366.db2.gz WJUUHUJDOLGECU-QFIPXVFZSA-N 1 2 494.621 3.991 40 0 JHABLO CCC[C@H](c1nnnn1CC(=O)OCC)[N@H+](Cc1ccccc1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000013499317 555430424 /nfs/dbraw/zinc/43/04/24/555430424.db2.gz AVXOKLJMHREZGH-XMMPIXPASA-N 1 2 488.592 3.930 40 0 JHABLO CCC[C@H](c1nnnn1CC(=O)OCC)[N@@H+](Cc1ccccc1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000013499317 555430425 /nfs/dbraw/zinc/43/04/25/555430425.db2.gz AVXOKLJMHREZGH-XMMPIXPASA-N 1 2 488.592 3.930 40 0 JHABLO CCC[C@@H](c1nnnn1CCOC)[N@H+](Cc1ccc(F)cc1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000013499362 555430907 /nfs/dbraw/zinc/43/09/07/555430907.db2.gz KTDUMCQRFJBCIW-DEOSSOPVSA-N 1 2 494.571 3.852 40 0 JHABLO CCC[C@@H](c1nnnn1CCOC)[N@@H+](Cc1ccc(F)cc1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000013499362 555430909 /nfs/dbraw/zinc/43/09/09/555430909.db2.gz KTDUMCQRFJBCIW-DEOSSOPVSA-N 1 2 494.571 3.852 40 0 JHABLO CCC[C@H](c1nnnn1C[C@@H]1CCCO1)[N@@H+](Cc1cc2cc(C)c(C)cc2[nH]c1=O)C[C@@H]1CCCO1 ZINC000013499481 555431772 /nfs/dbraw/zinc/43/17/72/555431772.db2.gz CMSCSGARONMOKD-SONWIMMPSA-N 1 2 494.640 3.833 40 0 JHABLO CCC[C@H](c1nnnn1C[C@@H]1CCCO1)[N@H+](Cc1cc2cc(C)c(C)cc2[nH]c1=O)C[C@@H]1CCCO1 ZINC000013499481 555431775 /nfs/dbraw/zinc/43/17/75/555431775.db2.gz CMSCSGARONMOKD-SONWIMMPSA-N 1 2 494.640 3.833 40 0 JHABLO CCOc1ccc2[nH]c(=O)c(C[N@H+](CCCO)[C@H](c3nnnn3C(C)(C)CC)C(C)C)cc2c1 ZINC000013500576 555441630 /nfs/dbraw/zinc/44/16/30/555441630.db2.gz GKKHBNDRCDKTHD-QFIPXVFZSA-N 1 2 470.618 3.640 40 0 JHABLO CCOc1ccc2[nH]c(=O)c(C[N@@H+](CCCO)[C@H](c3nnnn3C(C)(C)CC)C(C)C)cc2c1 ZINC000013500576 555441633 /nfs/dbraw/zinc/44/16/33/555441633.db2.gz GKKHBNDRCDKTHD-QFIPXVFZSA-N 1 2 470.618 3.640 40 0 JHABLO CN(C1CCCCC1)S(=O)(=O)c1ccc(NC(=O)C[NH+]2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000013561956 555495446 /nfs/dbraw/zinc/49/54/46/555495446.db2.gz FWOSCYMJQCWCJF-UHFFFAOYSA-N 1 2 488.629 3.540 40 0 JHABLO O=c1cccc2n1C[C@@H]1C[C@H]2CN(c2nc(NCCC3=CCCCC3)[nH+]c(N3CCCC3)n2)C1 ZINC000009972487 555572071 /nfs/dbraw/zinc/57/20/71/555572071.db2.gz MKMYGHARUNLULF-RTWAWAEBSA-N 1 2 461.614 3.560 40 0 JHABLO O=c1cccc2n1C[C@@H]1C[C@H]2CN(c2nc(N3CCCC3)nc(NCCC3=CCCCC3)[nH+]2)C1 ZINC000009972487 555572076 /nfs/dbraw/zinc/57/20/76/555572076.db2.gz MKMYGHARUNLULF-RTWAWAEBSA-N 1 2 461.614 3.560 40 0 JHABLO COc1ccccc1C[NH+]1CCN([C@H](CC(C)C)c2nnnn2Cc2ccc(F)cc2)CC1 ZINC000022929240 555981233 /nfs/dbraw/zinc/98/12/33/555981233.db2.gz KBMDEDDVJXUQHI-HSZRJFAPSA-N 1 2 452.578 3.774 40 0 JHABLO CSc1ccc(S(=O)(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1C(=O)N1CCC(C)CC1 ZINC000026118696 556247881 /nfs/dbraw/zinc/24/78/81/556247881.db2.gz JZIBXEYBTLAMEK-UHFFFAOYSA-N 1 2 487.691 3.787 40 0 JHABLO Cc1cc(Cl)ccc1C[C@H](O)CN1CC[NH+](C[C@H](O)COc2ccc(Cl)cc2C)CC1 ZINC000027530953 556291374 /nfs/dbraw/zinc/29/13/74/556291374.db2.gz HOMAWCZWSDXOJZ-GOTSBHOMSA-N 1 2 467.437 3.571 40 0 JHABLO Cc1cccc2cc(CN(CC[NH+]3CCOCC3)C(=S)N[C@@H](C)c3ccccc3)c(=O)[nH]c12 ZINC000019822718 556392358 /nfs/dbraw/zinc/39/23/58/556392358.db2.gz JPOMIDMCZORSMN-FQEVSTJZSA-N 1 2 464.635 3.606 40 0 JHABLO Cc1cc(C)c2cc(CN(CC[NH+]3CCOCC3)C(=S)Nc3ccccc3)c(=O)[nH]c2c1 ZINC000019823577 556394000 /nfs/dbraw/zinc/39/40/00/556394000.db2.gz AJNBQUCFPDVUPN-UHFFFAOYSA-N 1 2 450.608 3.676 40 0 JHABLO Cc1cccc(NC(=O)CSC2=[NH+][C@@H]3CS(=O)(=O)C[C@@H]3N2Cc2ccc(Cl)cc2)c1C ZINC000032640285 556461654 /nfs/dbraw/zinc/46/16/54/556461654.db2.gz UMPSTVQGZVBXFZ-UXHICEINSA-N 1 2 478.039 3.666 40 0 JHABLO CC[C@H](c1nnnn1Cc1ccco1)[N@@H+](Cc1cc2cc(C)cc(C)c2[nH]c1=O)C[C@@H]1CCCO1 ZINC000008586271 562940921 /nfs/dbraw/zinc/94/09/21/562940921.db2.gz QCSSKBPCOAYSPD-JTHBVZDNSA-N 1 2 476.581 3.905 40 0 JHABLO CC[C@H](c1nnnn1Cc1ccco1)[N@H+](Cc1cc2cc(C)cc(C)c2[nH]c1=O)C[C@@H]1CCCO1 ZINC000008586271 562940923 /nfs/dbraw/zinc/94/09/23/562940923.db2.gz QCSSKBPCOAYSPD-JTHBVZDNSA-N 1 2 476.581 3.905 40 0 JHABLO COCc1nn2c(ncc(C(=O)N3CC[NH+](Cc4ccccc4)CC3)c2C)c1-c1ccc(F)cc1 ZINC000038829737 569808401 /nfs/dbraw/zinc/80/84/01/569808401.db2.gz NVTIAZUBZIOUIE-UHFFFAOYSA-N 1 2 473.552 3.948 40 0 JHABLO Fc1ccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2CC[NH+]2CCOCC2)cc1Cl ZINC000223131956 569900531 /nfs/dbraw/zinc/90/05/31/569900531.db2.gz QWJAFPNBPNCOMG-PKTZIBPZSA-N 1 2 486.016 3.970 40 0 JHABLO Cc1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2CC[NH+]2CCOCC2)cc1C ZINC000223154862 569901363 /nfs/dbraw/zinc/90/13/63/569901363.db2.gz LUGCPGFKEGCCFV-LOSJGSFVSA-N 1 2 461.635 3.794 40 0 JHABLO S=C1N[C@@H](c2ccccn2)[C@@H](c2ccc(Br)s2)N1CCC[NH+]1CCOCC1 ZINC000223168599 569901837 /nfs/dbraw/zinc/90/18/37/569901837.db2.gz BTZFEKUHUVRFOF-ZWKOTPCHSA-N 1 2 467.458 3.600 40 0 JHABLO COc1cc(C)c([C@@H](C)NC(=O)c2cccc(S(=O)(=O)N3CC[NH+](C)CC3)c2)cc1C(C)C ZINC000223356963 569908523 /nfs/dbraw/zinc/90/85/23/569908523.db2.gz BMKIFACJPLUYIY-LJQANCHMSA-N 1 2 473.639 3.554 40 0 JHABLO Cc1ccc(C(C)C)c(O[C@H](C)C(=O)Nc2ccc(C)c(S(=O)(=O)N3CC[NH+](C)CC3)c2)c1 ZINC000223900020 569926635 /nfs/dbraw/zinc/92/66/35/569926635.db2.gz CJTRHCMTXAMQJE-HXUWFJFHSA-N 1 2 473.639 3.769 40 0 JHABLO CCOc1ccc(C(=O)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)cc1COCC(C)C ZINC000224741214 569955668 /nfs/dbraw/zinc/95/56/68/569955668.db2.gz HMOGAJDTBCMKMX-UHFFFAOYSA-N 1 2 454.567 3.945 40 0 JHABLO O=C(Nc1ccc(S(=O)(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1)N1CCCCCC1 ZINC000408595484 569966172 /nfs/dbraw/zinc/96/61/72/569966172.db2.gz QLEPAXFIOUPSJC-UHFFFAOYSA-N 1 2 456.612 3.601 40 0 JHABLO O=C(COc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1Cl)NCCCn1cc[nH+]c1 ZINC000408636680 569986956 /nfs/dbraw/zinc/98/69/56/569986956.db2.gz SRSFFVINDSRRPV-UHFFFAOYSA-N 1 2 483.377 3.576 40 0 JHABLO COc1ccc2cc(C[N@H+](C[C@H]3CCCO3)[C@@H](c3nnnn3C(C)(C)C)C(C)C)c(=O)[nH]c2c1 ZINC000231443754 570046707 /nfs/dbraw/zinc/04/67/07/570046707.db2.gz GKBGIJIECCDUGP-IFMALSPDSA-N 1 2 468.602 3.657 40 0 JHABLO COc1ccc2cc(C[N@@H+](C[C@H]3CCCO3)[C@@H](c3nnnn3C(C)(C)C)C(C)C)c(=O)[nH]c2c1 ZINC000231443754 570046708 /nfs/dbraw/zinc/04/67/08/570046708.db2.gz GKBGIJIECCDUGP-IFMALSPDSA-N 1 2 468.602 3.657 40 0 JHABLO CCOC(=O)[C@]1(Cc2ccccc2)[NH2+][C@H](c2cccs2)[C@@H]2C(=O)N(c3ccccc3F)C(=O)[C@@H]21 ZINC000231643541 570046829 /nfs/dbraw/zinc/04/68/29/570046829.db2.gz CYEDKSCPCAGLAV-PIXQIBFHSA-N 1 2 478.545 3.882 40 0 JHABLO CN(Cc1ccccc1)C(=O)C[C@H]1CN(C(=O)CCn2cc[nH+]c2)CC[C@@H]1Oc1ccc(F)cc1 ZINC000257212947 570111929 /nfs/dbraw/zinc/11/19/29/570111929.db2.gz CFNXPQLRODNNIX-DHLKQENFSA-N 1 2 478.568 3.757 40 0 JHABLO Cc1ccc(C(=O)N2CCOC[C@H](Cc3ccc4[nH+]ccn4c3)C2)cc1NCc1ccccn1 ZINC000257222545 570114814 /nfs/dbraw/zinc/11/48/14/570114814.db2.gz DTSFCBBEEQWYAN-JOCHJYFZSA-N 1 2 455.562 3.981 40 0 JHABLO CCOc1ccc2nc(NC(=O)C[N@@H+]3CC[C@](C)(O)[C@@H](Oc4cccc(F)c4)C3)sc2c1 ZINC000257230391 570117070 /nfs/dbraw/zinc/11/70/70/570117070.db2.gz GCDDIJOPLYGGNU-REWPJTCUSA-N 1 2 459.543 3.677 40 0 JHABLO CCOc1ccc2nc(NC(=O)C[N@H+]3CC[C@](C)(O)[C@@H](Oc4cccc(F)c4)C3)sc2c1 ZINC000257230391 570117071 /nfs/dbraw/zinc/11/70/71/570117071.db2.gz GCDDIJOPLYGGNU-REWPJTCUSA-N 1 2 459.543 3.677 40 0 JHABLO Cc1noc(C)c1COc1cccc(C(=O)N2CCOC[C@H](Cc3ccc4[nH+]ccn4c3)C2)c1 ZINC000257248364 570122791 /nfs/dbraw/zinc/12/27/91/570122791.db2.gz JDIHVALVQGJLBD-OAQYLSRUSA-N 1 2 460.534 3.849 40 0 JHABLO CNC(=O)c1cccc([C@H]2CN(CC(=O)Nc3ccc(Oc4ccccc4)cc3)CC[N@@H+]2C)c1 ZINC000257310607 570141607 /nfs/dbraw/zinc/14/16/07/570141607.db2.gz UFWLCMVQLMFNQG-RUZDIDTESA-N 1 2 458.562 3.766 40 0 JHABLO CNC(=O)c1cccc([C@H]2CN(CC(=O)Nc3ccc(Oc4ccccc4)cc3)CC[N@H+]2C)c1 ZINC000257310607 570141608 /nfs/dbraw/zinc/14/16/08/570141608.db2.gz UFWLCMVQLMFNQG-RUZDIDTESA-N 1 2 458.562 3.766 40 0 JHABLO O=C(c1ccccc1Cn1cc[nH+]c1)N1C[C@@H](c2cc(F)cc(F)c2)[C@]2(C1)CCCCC(=O)N2 ZINC000257331488 570147947 /nfs/dbraw/zinc/14/79/47/570147947.db2.gz XTBHRXPCYILJDW-JYFHCDHNSA-N 1 2 464.516 3.878 40 0 JHABLO CC1(C)CC2(CN1S(C)(=O)=O)CC[NH+](CC(=O)Nc1ccc(OCc3ccccc3)cc1)CC2 ZINC000257343025 570151228 /nfs/dbraw/zinc/15/12/28/570151228.db2.gz ZRCUJVKCCYGMSI-UHFFFAOYSA-N 1 2 485.650 3.730 40 0 JHABLO CC(=O)Nc1ccc2nc(NC(=O)C[N@@H+]3CC[C@](C)(O)[C@@H](Oc4cccc(Cl)c4)C3)sc2c1 ZINC000257344395 570151731 /nfs/dbraw/zinc/15/17/31/570151731.db2.gz ZXAOUVGJAYVDFF-REWPJTCUSA-N 1 2 488.997 3.751 40 0 JHABLO CC(=O)Nc1ccc2nc(NC(=O)C[N@H+]3CC[C@](C)(O)[C@@H](Oc4cccc(Cl)c4)C3)sc2c1 ZINC000257344395 570151732 /nfs/dbraw/zinc/15/17/32/570151732.db2.gz ZXAOUVGJAYVDFF-REWPJTCUSA-N 1 2 488.997 3.751 40 0 JHABLO CCOc1cc([C@@H]2N(C(=O)CC)c3ccccc3-c3c(=O)[nH]c(SC)n[n+]32)ccc1OC ZINC000261363067 570167723 /nfs/dbraw/zinc/16/77/23/570167723.db2.gz FUBURJZIIWMYDG-JOCHJYFZSA-O 1 2 453.544 3.569 40 0 JHABLO CCC(=O)N1c2ccccc2-c2c(=O)[nH]c(SC)n[n+]2[C@@H]1c1cc(Br)ccc1OC ZINC000261363226 570167877 /nfs/dbraw/zinc/16/78/77/570167877.db2.gz GNACWNKERSEFRC-HXUWFJFHSA-O 1 2 488.387 3.933 40 0 JHABLO OCCCNc1nc(NCc2ccc(F)c(F)c2)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000329061724 570183456 /nfs/dbraw/zinc/18/34/56/570183456.db2.gz WSUKNHNPLZJGGJ-UHFFFAOYSA-N 1 2 454.399 3.571 40 0 JHABLO CC(C)[C@@H](CO)Nc1nc(NCCc2ccncc2)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000329064723 570183520 /nfs/dbraw/zinc/18/35/20/570183520.db2.gz XMRSDZNLHKVLMM-HXUWFJFHSA-N 1 2 461.488 4.521 40 0 JHABLO COc1ccc(OC)c(NC(=O)C2=C(C)[NH+]=C3N=CNN3[C@H]2c2ccc(C(F)(F)F)cc2)c1 ZINC000408554770 570196474 /nfs/dbraw/zinc/19/64/74/570196474.db2.gz FKBVQQAKTYOWTQ-IBGZPJMESA-N 1 2 459.428 3.895 40 0 JHABLO COc1ccc(S(=O)(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1NC(=O)c1ccccc1F ZINC000408559800 570199956 /nfs/dbraw/zinc/19/99/56/570199956.db2.gz YYSUJDZBZRWOST-UHFFFAOYSA-N 1 2 483.565 3.593 40 0 JHABLO O=C(C[NH+]1CCN(c2nc(-c3ccc(F)cc3)cs2)CC1)N1CCN(c2ccccc2F)CC1 ZINC000001349412 194099389 /nfs/dbraw/zinc/09/93/89/194099389.db2.gz WVJVUXAGENTDJF-UHFFFAOYSA-N 1 2 483.588 3.559 40 0 JHABLO CCOC(=O)Cn1nnnc1[C@H](CC)[N@H+](Cc1cccs1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000001374239 194108395 /nfs/dbraw/zinc/10/83/95/194108395.db2.gz JEFATOXPUKIHFU-NRFANRHFSA-N 1 2 480.594 3.601 40 0 JHABLO CCOC(=O)Cn1nnnc1[C@H](CC)[N@@H+](Cc1cccs1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000001374239 194108398 /nfs/dbraw/zinc/10/83/98/194108398.db2.gz JEFATOXPUKIHFU-NRFANRHFSA-N 1 2 480.594 3.601 40 0 JHABLO CCOC(=O)c1ccc(NC(=O)NC2CC[NH+](CC(=O)Nc3cc(Cl)ccc3OC)CC2)cc1 ZINC000012644505 195073460 /nfs/dbraw/zinc/07/34/60/195073460.db2.gz XFISWGKMMQTNLK-UHFFFAOYSA-N 1 2 488.972 3.750 40 0 JHABLO C[C@H]1CCC[N@@H+]([C@@H](c2nnnn2C2CCCCC2)c2cc3cc4c(cc3[nH]c2=O)OCO4)C1 ZINC000012713207 195096099 /nfs/dbraw/zinc/09/60/99/195096099.db2.gz DJPOUMBJJBPFTG-OYHNWAKOSA-N 1 2 450.543 3.570 40 0 JHABLO C[C@H]1CCC[N@H+]([C@@H](c2nnnn2C2CCCCC2)c2cc3cc4c(cc3[nH]c2=O)OCO4)C1 ZINC000012713207 195096102 /nfs/dbraw/zinc/09/61/02/195096102.db2.gz DJPOUMBJJBPFTG-OYHNWAKOSA-N 1 2 450.543 3.570 40 0 JHABLO Nc1nc(N2CCCCC2)[nH+]c2c1[C@@H](C(=O)Nc1ccc(Oc3ccccc3)cc1)CC(=O)N2 ZINC000020635654 195191746 /nfs/dbraw/zinc/19/17/46/195191746.db2.gz ROLMDOKYJMQTOT-IBGZPJMESA-N 1 2 458.522 3.906 40 0 JHABLO CCOC(=O)C1CC[NH+]([C@H](c2nnnn2C(C)(C)CC)c2cc3ccc(C)c(C)c3[nH]c2=O)CC1 ZINC000057589681 195351436 /nfs/dbraw/zinc/35/14/36/195351436.db2.gz BRGVSSYIABLQPI-QFIPXVFZSA-N 1 2 480.613 3.641 40 0 JHABLO CC[C@@H](c1nnnn1C[C@@H]1CCCO1)[N@H+](Cc1cccs1)Cc1cc2ccc(OC)cc2[nH]c1=O ZINC000057641184 195355209 /nfs/dbraw/zinc/35/52/09/195355209.db2.gz PAKOTLLFRHYDHD-REWPJTCUSA-N 1 2 494.621 3.917 40 0 JHABLO CC[C@@H](c1nnnn1C[C@@H]1CCCO1)[N@@H+](Cc1cccs1)Cc1cc2ccc(OC)cc2[nH]c1=O ZINC000057641184 195355210 /nfs/dbraw/zinc/35/52/10/195355210.db2.gz PAKOTLLFRHYDHD-REWPJTCUSA-N 1 2 494.621 3.917 40 0 JHABLO CC[C@H](c1nnnn1CCOC)[N@H+](Cc1ccccc1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000057641959 195356055 /nfs/dbraw/zinc/35/60/55/195356055.db2.gz WCXCWHABQXOPCN-XMMPIXPASA-N 1 2 460.582 3.931 40 0 JHABLO CC[C@H](c1nnnn1CCOC)[N@@H+](Cc1ccccc1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000057641959 195356056 /nfs/dbraw/zinc/35/60/56/195356056.db2.gz WCXCWHABQXOPCN-XMMPIXPASA-N 1 2 460.582 3.931 40 0 JHABLO CCC[C@@H](c1nnnn1CCc1ccc(OC)c(OC)c1)[NH+]1CCN(c2ccccc2)CC1 ZINC000013505540 520810994 /nfs/dbraw/zinc/81/09/94/520810994.db2.gz VDRKTHSDTSWDFO-QFIPXVFZSA-N 1 2 450.587 3.596 40 0 JHABLO CC1CC[NH+]([C@H](c2nnnn2C2CCCCC2)c2cc3cc4c(cc3[nH]c2=O)OCO4)CC1 ZINC000006148945 521037345 /nfs/dbraw/zinc/03/73/45/521037345.db2.gz NJFKIQZNHOCDOZ-QFIPXVFZSA-N 1 2 450.543 3.570 40 0 JHABLO CCOc1ccc2[nH]c(=O)c([C@@H](c3nnnn3Cc3ccc(F)cc3)[NH+]3CCC(C)CC3)cc2c1 ZINC000006196856 521282853 /nfs/dbraw/zinc/28/28/53/521282853.db2.gz AHSDTAMQBQWWME-DEOSSOPVSA-N 1 2 476.556 3.922 40 0 JHABLO Cc1cc(C)c2[nH]c(=O)c(CN(CC[NH+]3CCOCC3)C(=S)N[C@@H](C)c3ccccc3)cc2c1 ZINC000019823850 524340824 /nfs/dbraw/zinc/34/08/24/524340824.db2.gz HDZQVRMUSXFSTD-NRFANRHFSA-N 1 2 478.662 3.915 40 0 JHABLO Cc1ccc(Cl)cc1N(CCCC(=O)NCc1ccc(-n2cc[nH+]c2)cc1)S(C)(=O)=O ZINC000020460548 524728247 /nfs/dbraw/zinc/72/82/47/524728247.db2.gz HZARMWKAJQZOLW-UHFFFAOYSA-N 1 2 460.987 3.697 40 0 JHABLO CS(=O)(=O)N(CC(=O)NCc1ccc(-n2cc[nH+]c2)cc1)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000044848965 525150815 /nfs/dbraw/zinc/15/08/15/525150815.db2.gz XWHDWNDPDAUUCK-UHFFFAOYSA-N 1 2 486.903 3.627 40 0 JHABLO COc1ccc2oc(=O)cc(C[NH+]3CCN(C(=O)c4ccc(Br)cc4)CC3)c2c1 ZINC000020352892 525684104 /nfs/dbraw/zinc/68/41/04/525684104.db2.gz MBQWUXNLYOMSIF-UHFFFAOYSA-N 1 2 457.324 3.522 40 0 biogenic,in-vitro JHABLO O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1)NCc1ccccc1-n1cc[nH+]c1 ZINC000020493890 526704211 /nfs/dbraw/zinc/70/42/11/526704211.db2.gz PNHFUJFIHBNVCI-UHFFFAOYSA-N 1 2 464.522 3.523 40 0 JHABLO COc1ccc2[nH]c(=O)c(CN(CC[NH+]3CCOCC3)C(=S)Nc3cccc(Cl)c3)cc2c1 ZINC000000879994 553816476 /nfs/dbraw/zinc/81/64/76/553816476.db2.gz VFROVXHQAPJEAA-UHFFFAOYSA-N 1 2 487.025 3.721 40 0 JHABLO Cc1cccc(NC(=S)N(CC[NH+]2CCOCC2)Cc2cc3cc(C)cc(C)c3[nH]c2=O)c1 ZINC000000884863 553823267 /nfs/dbraw/zinc/82/32/67/553823267.db2.gz XZBHOJVJERXXIM-UHFFFAOYSA-N 1 2 464.635 3.985 40 0 JHABLO Cn1c(CCc2[nH]c3ccccc3[nH+]2)nnc1SCC(=O)Nc1ccc(Br)cc1 ZINC000000892151 553829778 /nfs/dbraw/zinc/82/97/78/553829778.db2.gz NJBMQZFVJWZVJK-UHFFFAOYSA-N 1 2 471.384 3.970 40 0 JHABLO COc1ccc(Cn2nnnc2[C@H](c2cc3cccc(C)c3[nH]c2=O)[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000000909465 553840890 /nfs/dbraw/zinc/84/08/90/553840890.db2.gz IVUFSLUNXILSPM-OSPHWJPCSA-N 1 2 458.566 3.701 40 0 JHABLO COc1ccc(Cn2nnnc2[C@H](c2cc3cccc(C)c3[nH]c2=O)[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000000909465 553840894 /nfs/dbraw/zinc/84/08/94/553840894.db2.gz IVUFSLUNXILSPM-OSPHWJPCSA-N 1 2 458.566 3.701 40 0 JHABLO CCOc1ccc2[nH]c(=O)c(C[N@H+](Cc3nnnn3Cc3ccc(OC)cc3)C3CCCC3)cc2c1 ZINC000000928097 553865477 /nfs/dbraw/zinc/86/54/77/553865477.db2.gz XNTKWBFUDJSJFC-UHFFFAOYSA-N 1 2 488.592 3.915 40 0 JHABLO CCOc1ccc2[nH]c(=O)c(C[N@@H+](Cc3nnnn3Cc3ccc(OC)cc3)C3CCCC3)cc2c1 ZINC000000928097 553865480 /nfs/dbraw/zinc/86/54/80/553865480.db2.gz XNTKWBFUDJSJFC-UHFFFAOYSA-N 1 2 488.592 3.915 40 0 JHABLO COc1ccc2cc([C@H](c3nnnn3CCc3ccccc3)[N@@H+]3CCC[C@@H](C)C3)c(=O)[nH]c2c1 ZINC000008034352 554563827 /nfs/dbraw/zinc/56/38/27/554563827.db2.gz BEWOHCJRIIRPBQ-HOYKHHGWSA-N 1 2 458.566 3.587 40 0 JHABLO COc1ccc2cc([C@H](c3nnnn3CCc3ccccc3)[N@H+]3CCC[C@@H](C)C3)c(=O)[nH]c2c1 ZINC000008034352 554563829 /nfs/dbraw/zinc/56/38/29/554563829.db2.gz BEWOHCJRIIRPBQ-HOYKHHGWSA-N 1 2 458.566 3.587 40 0 JHABLO CCOc1ccc2[nH]c(=O)c([C@@H](c3nnnn3CCc3ccccc3)[NH+]3CCC(C)CC3)cc2c1 ZINC000013496093 555410909 /nfs/dbraw/zinc/41/09/09/555410909.db2.gz LHCSBGQBBLYVBR-VWLOTQADSA-N 1 2 472.593 3.977 40 0 JHABLO COc1ccc2[nH]c(=O)c(C[N@H+](C[C@H]3CCCO3)[C@H](c3nnnn3Cc3ccco3)C(C)C)cc2c1 ZINC000013498679 555423329 /nfs/dbraw/zinc/42/33/29/555423329.db2.gz QKUZLAOKIGLECE-QPPBQGQZSA-N 1 2 492.580 3.543 40 0 JHABLO COc1ccc2[nH]c(=O)c(C[N@@H+](C[C@H]3CCCO3)[C@H](c3nnnn3Cc3ccco3)C(C)C)cc2c1 ZINC000013498679 555423331 /nfs/dbraw/zinc/42/33/31/555423331.db2.gz QKUZLAOKIGLECE-QPPBQGQZSA-N 1 2 492.580 3.543 40 0 JHABLO COCCn1nnnc1[C@H](C(C)C)[N@H+](Cc1cccs1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000013498693 555423698 /nfs/dbraw/zinc/42/36/98/555423698.db2.gz ONTPTMGJVSPIFK-QFIPXVFZSA-N 1 2 482.610 3.631 40 0 JHABLO COCCn1nnnc1[C@H](C(C)C)[N@@H+](Cc1cccs1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000013498693 555423699 /nfs/dbraw/zinc/42/36/99/555423699.db2.gz ONTPTMGJVSPIFK-QFIPXVFZSA-N 1 2 482.610 3.631 40 0 JHABLO CCOC(=O)Cn1nnnc1[C@H](C(C)C)[N@H+](Cc1ccco1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000013499061 555427670 /nfs/dbraw/zinc/42/76/70/555427670.db2.gz JFZUDXPOSHOHBY-DEOSSOPVSA-N 1 2 492.580 3.687 40 0 JHABLO CCOC(=O)Cn1nnnc1[C@H](C(C)C)[N@@H+](Cc1ccco1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000013499061 555427672 /nfs/dbraw/zinc/42/76/72/555427672.db2.gz JFZUDXPOSHOHBY-DEOSSOPVSA-N 1 2 492.580 3.687 40 0 JHABLO CCC[C@@H](c1nnnn1CC(=O)OCC)[N@H+](Cc1ccccc1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000013499318 555430403 /nfs/dbraw/zinc/43/04/03/555430403.db2.gz AVXOKLJMHREZGH-DEOSSOPVSA-N 1 2 488.592 3.930 40 0 JHABLO CCC[C@@H](c1nnnn1CC(=O)OCC)[N@@H+](Cc1ccccc1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000013499318 555430405 /nfs/dbraw/zinc/43/04/05/555430405.db2.gz AVXOKLJMHREZGH-DEOSSOPVSA-N 1 2 488.592 3.930 40 0 JHABLO CCC[C@@H](c1nnnn1C1CCCC1)[N@H+](CCCO)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000013499604 555433446 /nfs/dbraw/zinc/43/34/46/555433446.db2.gz JLNOTGCDNOPHRT-QHCPKHFHSA-N 1 2 452.603 3.972 40 0 JHABLO CCC[C@@H](c1nnnn1C1CCCC1)[N@@H+](CCCO)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000013499604 555433448 /nfs/dbraw/zinc/43/34/48/555433448.db2.gz JLNOTGCDNOPHRT-QHCPKHFHSA-N 1 2 452.603 3.972 40 0 JHABLO CCC[C@H](c1nnnn1C(C)(C)C)[N@H+](CCCN1CCOCC1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013500129 555436783 /nfs/dbraw/zinc/43/67/83/555436783.db2.gz NOEIDMSLEKPTEP-HSZRJFAPSA-N 1 2 495.672 3.644 40 0 JHABLO CCC[C@H](c1nnnn1C(C)(C)C)[N@@H+](CCCN1CCOCC1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013500129 555436787 /nfs/dbraw/zinc/43/67/87/555436787.db2.gz NOEIDMSLEKPTEP-HSZRJFAPSA-N 1 2 495.672 3.644 40 0 JHABLO CCOc1ccc2[nH]c(=O)c(C[N@H+](CCCO)[C@H](c3nnnn3Cc3ccccc3)C(C)C)cc2c1 ZINC000013500582 555441756 /nfs/dbraw/zinc/44/17/56/555441756.db2.gz CHOKIAPWFPHRDI-VWLOTQADSA-N 1 2 490.608 3.543 40 0 JHABLO CCOc1ccc2[nH]c(=O)c(C[N@@H+](CCCO)[C@H](c3nnnn3Cc3ccccc3)C(C)C)cc2c1 ZINC000013500582 555441758 /nfs/dbraw/zinc/44/17/58/555441758.db2.gz CHOKIAPWFPHRDI-VWLOTQADSA-N 1 2 490.608 3.543 40 0 JHABLO CCOc1ccc2[nH]c(=O)c(C[N@H+](CCCO)[C@H](c3nnnn3C3CCCC3)C(C)C)cc2c1 ZINC000013500578 555441763 /nfs/dbraw/zinc/44/17/63/555441763.db2.gz GKRDVKNKOSJHEJ-QHCPKHFHSA-N 1 2 468.602 3.610 40 0 JHABLO CCOc1ccc2[nH]c(=O)c(C[N@@H+](CCCO)[C@H](c3nnnn3C3CCCC3)C(C)C)cc2c1 ZINC000013500578 555441764 /nfs/dbraw/zinc/44/17/64/555441764.db2.gz GKRDVKNKOSJHEJ-QHCPKHFHSA-N 1 2 468.602 3.610 40 0 JHABLO CS(=O)(=O)N(Cc1c(Cl)cccc1Cl)c1ccc(C(=O)NCCCn2cc[nH+]c2)cc1 ZINC000013677217 555568059 /nfs/dbraw/zinc/56/80/59/555568059.db2.gz DVYXYOJWGIHWHQ-UHFFFAOYSA-N 1 2 481.405 3.976 40 0 JHABLO CS(=O)(=O)N(Cc1ccc(C(=O)NCCCn2cc[nH+]c2)cc1)c1cccc(Cl)c1Cl ZINC000013678991 555570528 /nfs/dbraw/zinc/57/05/28/555570528.db2.gz JQMIIAKEFGYGRS-UHFFFAOYSA-N 1 2 481.405 3.976 40 0 JHABLO Cc1cccc(N(CC(=O)NCc2ccc(-n3cc[nH+]c3)cc2)S(=O)(=O)c2ccccc2)c1 ZINC000020037491 555611535 /nfs/dbraw/zinc/61/15/35/555611535.db2.gz FVOMIUYZAXIFEI-UHFFFAOYSA-N 1 2 460.559 3.692 40 0 JHABLO CCOc1ccc2[nH]c(=O)c([C@H](c3nnnn3C[C@@H]3CCCO3)[N@H+](CC)Cc3ccccc3)cc2c1 ZINC000020080421 555629104 /nfs/dbraw/zinc/62/91/04/555629104.db2.gz IHAIHTGVOVNSMU-WIOPSUGQSA-N 1 2 488.592 3.704 40 0 JHABLO CCOc1ccc2[nH]c(=O)c([C@H](c3nnnn3C[C@@H]3CCCO3)[N@@H+](CC)Cc3ccccc3)cc2c1 ZINC000020080421 555629105 /nfs/dbraw/zinc/62/91/05/555629105.db2.gz IHAIHTGVOVNSMU-WIOPSUGQSA-N 1 2 488.592 3.704 40 0 JHABLO O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000020111289 555647845 /nfs/dbraw/zinc/64/78/45/555647845.db2.gz ZGGQYZKZZIZGPZ-UHFFFAOYSA-N 1 2 464.522 3.523 40 0 JHABLO CCNC(=O)c1cc(S(=O)(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)ccc1OC ZINC000026112088 556243624 /nfs/dbraw/zinc/24/36/24/556243624.db2.gz IULGWIZCFGWNSI-UHFFFAOYSA-N 1 2 493.629 3.541 40 0 JHABLO Cc1ccc2cc(C[N@H+](CCc3ccccc3)Cc3nnnn3C[C@H]3CCCO3)c(=O)[nH]c2c1C ZINC000019234244 556336653 /nfs/dbraw/zinc/33/66/53/556336653.db2.gz BNUYWWRNXDWPPJ-XMMPIXPASA-N 1 2 472.593 3.555 40 0 JHABLO Cc1ccc2cc(C[N@@H+](CCc3ccccc3)Cc3nnnn3C[C@H]3CCCO3)c(=O)[nH]c2c1C ZINC000019234244 556336657 /nfs/dbraw/zinc/33/66/57/556336657.db2.gz BNUYWWRNXDWPPJ-XMMPIXPASA-N 1 2 472.593 3.555 40 0 JHABLO CC[C@H](c1nnnn1C1CCCCC1)N(CC[NH+]1CCOCC1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000019500605 556349699 /nfs/dbraw/zinc/34/96/99/556349699.db2.gz ZKSCNZFAOQWATQ-RUZDIDTESA-N 1 2 493.656 3.614 40 0 JHABLO Cc1ccc(Cl)cc1N(CCCC(=O)NCc1ccccc1-n1cc[nH+]c1)S(C)(=O)=O ZINC000030755226 556372774 /nfs/dbraw/zinc/37/27/74/556372774.db2.gz QQVNSEWXBCUICK-UHFFFAOYSA-N 1 2 460.987 3.697 40 0 JHABLO Cc1[nH+]ccn1-c1ccccc1CNC(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1 ZINC000030849609 556376722 /nfs/dbraw/zinc/37/67/22/556376722.db2.gz HTEKKNZHQFRLBB-UHFFFAOYSA-N 1 2 452.561 3.973 40 0 JHABLO CCOc1ccc(NC(=S)N(CC[NH+]2CCOCC2)Cc2cc3cccc(C)c3[nH]c2=O)cc1 ZINC000019822708 556392596 /nfs/dbraw/zinc/39/25/96/556392596.db2.gz SUDJJYPIROUKFF-UHFFFAOYSA-N 1 2 480.634 3.766 40 0 JHABLO Cc1nn(C)c(C)c1NS(=O)(=O)c1c(Cl)cc(-c2ccnc(N3CC[NH2+]CC3)c2)cc1Cl ZINC000039309993 563136609 /nfs/dbraw/zinc/13/66/09/563136609.db2.gz XMBSZPZJLPTFMV-UHFFFAOYSA-N 1 2 495.436 3.616 40 0 in-vivo JHABLO CC[C@@H](c1nnnn1C[C@H]1CCCO1)[N@H+](Cc1ccccc1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000033936981 569638106 /nfs/dbraw/zinc/63/81/06/569638106.db2.gz VUUBSPMEXPGBDN-NOZRDPDXSA-N 1 2 488.592 3.856 40 0 JHABLO CC[C@@H](c1nnnn1C[C@H]1CCCO1)[N@@H+](Cc1ccccc1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000033936981 569638108 /nfs/dbraw/zinc/63/81/08/569638108.db2.gz VUUBSPMEXPGBDN-NOZRDPDXSA-N 1 2 488.592 3.856 40 0 JHABLO Cc1ccc2[nH]c(=O)c(C[N@@H+](C[C@H]3CCCO3)[C@@H](c3nnnn3C(C)(C)C)C(C)C)cc2c1 ZINC000033937314 569638795 /nfs/dbraw/zinc/63/87/95/569638795.db2.gz FQPLZEAGPJGOKR-IFMALSPDSA-N 1 2 452.603 3.956 40 0 JHABLO Cc1ccc2[nH]c(=O)c(C[N@H+](C[C@H]3CCCO3)[C@@H](c3nnnn3C(C)(C)C)C(C)C)cc2c1 ZINC000033937314 569638796 /nfs/dbraw/zinc/63/87/96/569638796.db2.gz FQPLZEAGPJGOKR-IFMALSPDSA-N 1 2 452.603 3.956 40 0 JHABLO COCc1nn2c(ncc(C(=O)N3CC[NH+](Cc4ccccc4)CC3)c2C)c1-c1ccc(OC)cc1 ZINC000038829770 569808486 /nfs/dbraw/zinc/80/84/86/569808486.db2.gz NJNOOCYERNWOLI-UHFFFAOYSA-N 1 2 485.588 3.818 40 0 JHABLO Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC[NH+]2CCOCC2)c(C)n1-c1cccnc1 ZINC000223173815 569901996 /nfs/dbraw/zinc/90/19/96/569901996.db2.gz AKGRGLQRIWDSHB-RPBOFIJWSA-N 1 2 476.650 3.579 40 0 JHABLO Cc1ccccc1-n1cccc1[C@@H]1[C@H](c2ccccn2)NC(=S)N1CCC[NH+]1CCOCC1 ZINC000223193642 569902846 /nfs/dbraw/zinc/90/28/46/569902846.db2.gz ORFLCAASMJHVSB-LOSJGSFVSA-N 1 2 461.635 3.876 40 0 JHABLO COc1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC[NH+]2CCOCC2)cc1 ZINC000223195964 569902944 /nfs/dbraw/zinc/90/29/44/569902944.db2.gz MSWNZTPJRMEYRV-JWQCQUIFSA-N 1 2 477.634 3.576 40 0 JHABLO S=C1N[C@@H](c2ccccn2)[C@H](c2cccn2-c2ccc(Cl)cn2)N1CCC[NH+]1CCOCC1 ZINC000223198297 569903103 /nfs/dbraw/zinc/90/31/03/569903103.db2.gz XTGDNIRYLLLAST-GOTSBHOMSA-N 1 2 483.041 3.616 40 0 JHABLO COC(=O)CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1ccc([NH+](C)C)cc1 ZINC000223730775 569921405 /nfs/dbraw/zinc/92/14/05/569921405.db2.gz GSIBUXYLXHWJKB-BJKOFHAPSA-N 1 2 463.607 3.864 40 0 JHABLO Cc1cc(C(=O)NCc2cccc(C[NH+]3CCOCC3)c2)ccc1NS(=O)(=O)c1ccccc1 ZINC000224727694 569954937 /nfs/dbraw/zinc/95/49/37/569954937.db2.gz COFMCUYBWVERIN-UHFFFAOYSA-N 1 2 479.602 3.558 40 0 JHABLO O=C(c1ccc(NC(=S)NCc2ccccc2C[NH+]2CCOCC2)cc1)N1CCCCC1 ZINC000225778870 570021141 /nfs/dbraw/zinc/02/11/41/570021141.db2.gz RPGNGKIXOQOFRV-UHFFFAOYSA-N 1 2 452.624 3.632 40 0 JHABLO O=C(CCc1nc(-c2cccc(C(F)(F)F)c2)no1)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000225805256 570022793 /nfs/dbraw/zinc/02/27/93/570022793.db2.gz UIIRZCMCNQRAAG-UHFFFAOYSA-N 1 2 488.466 3.761 40 0 JHABLO COC(=O)[C@]1(Cc2ccccc2)[NH2+][C@H](c2ccccc2C)[C@@H]2C(=O)N(c3cccc(C(C)=O)c3)C(=O)[C@@H]21 ZINC000229939035 570042461 /nfs/dbraw/zinc/04/24/61/570042461.db2.gz GFNLWRVFGHIACM-VIDGLSEISA-N 1 2 496.563 3.802 40 0 JHABLO CCC[C@]1(C(=O)OCC)[NH2+][C@H](c2ccccc2C)[C@@H]2C(=O)N(c3cccc(C(C)=O)c3)C(=O)[C@H]21 ZINC000245230327 570056463 /nfs/dbraw/zinc/05/64/63/570056463.db2.gz PJMDWFBVLPZOAQ-IDIXZGLXSA-N 1 2 462.546 3.750 40 0 JHABLO CCC[C@]1(C(=O)OCC)[NH2+][C@H](c2ccccc2C)[C@H]2C(=O)N(c3cccc(C(C)=O)c3)C(=O)[C@H]21 ZINC000245230328 570056503 /nfs/dbraw/zinc/05/65/03/570056503.db2.gz PJMDWFBVLPZOAQ-TZKYFUQOSA-N 1 2 462.546 3.750 40 0 JHABLO CC[C@@H](c1nnnn1C1CCCC1)[N@@H+](Cc1cc2cc3c(cc2[nH]c1=O)OCO3)C[C@H]1CCCO1 ZINC000253500481 570101975 /nfs/dbraw/zinc/10/19/75/570101975.db2.gz QERZYBGWZRVMCH-CTNGQTDRSA-N 1 2 480.569 3.903 40 0 JHABLO CC[C@@H](c1nnnn1C1CCCC1)[N@H+](Cc1cc2cc3c(cc2[nH]c1=O)OCO3)C[C@H]1CCCO1 ZINC000253500481 570101977 /nfs/dbraw/zinc/10/19/77/570101977.db2.gz QERZYBGWZRVMCH-CTNGQTDRSA-N 1 2 480.569 3.903 40 0 JHABLO COc1ccc(NC(C)=O)c(NC(=O)C[NH+]2CCC([C@@]3(C)CCCCN(C(C)C)C3=O)CC2)c1 ZINC000257249867 570123165 /nfs/dbraw/zinc/12/31/65/570123165.db2.gz JKBLNABQSFRHMI-AREMUKBSSA-N 1 2 472.630 3.731 40 0 JHABLO CCc1nc(NC(=O)C[N@@H+]2C[C@@H]3CCCCN(C(=O)c4cccc(OC)c4OC)[C@@H]3C2)sc1C ZINC000257251052 570123464 /nfs/dbraw/zinc/12/34/64/570123464.db2.gz JPFBMCKXFVCOIH-FXAWDEMLSA-N 1 2 486.638 3.596 40 0 JHABLO CCc1nc(NC(=O)C[N@H+]2C[C@@H]3CCCCN(C(=O)c4cccc(OC)c4OC)[C@@H]3C2)sc1C ZINC000257251052 570123465 /nfs/dbraw/zinc/12/34/65/570123465.db2.gz JPFBMCKXFVCOIH-FXAWDEMLSA-N 1 2 486.638 3.596 40 0 JHABLO CC(=O)Nc1ccc(NC(=O)C[N@@H+]2CCOC[C@@H](Cc3ccc4ccncc4c3)C2)c(Cl)c1 ZINC000257253769 570124386 /nfs/dbraw/zinc/12/43/86/570124386.db2.gz KAFXZEJFQFDWIA-IBGZPJMESA-N 1 2 466.969 3.976 40 0 JHABLO CC(=O)Nc1ccc(NC(=O)C[N@H+]2CCOC[C@@H](Cc3ccc4ccncc4c3)C2)c(Cl)c1 ZINC000257253769 570124387 /nfs/dbraw/zinc/12/43/87/570124387.db2.gz KAFXZEJFQFDWIA-IBGZPJMESA-N 1 2 466.969 3.976 40 0 JHABLO O=C(c1cccc(OCC[NH+]2CCOCC2)c1)N1CCC[C@H]1c1ccnc(-c2ccccc2)n1 ZINC000257271474 570130097 /nfs/dbraw/zinc/13/00/97/570130097.db2.gz MYMAEHMTWRIHCF-VWLOTQADSA-N 1 2 458.562 3.832 40 0 JHABLO CC(=O)N1CCN(CC(=O)Nc2ccc3c(c2)[nH+]c(C)n3C)[C@@H](c2ccc(OC(C)C)cc2)C1 ZINC000257293179 570136493 /nfs/dbraw/zinc/13/64/93/570136493.db2.gz QOLGXUDTGPBKTR-RUZDIDTESA-N 1 2 463.582 3.513 40 0 JHABLO CCCn1cc(C[N@@H+]2CCO[C@@](COc3ccc(Cl)cc3)(CC(=O)N3CCCCC3)C2)cn1 ZINC000257296199 570137295 /nfs/dbraw/zinc/13/72/95/570137295.db2.gz RBRMFOWYFWBBIG-VWLOTQADSA-N 1 2 475.033 3.999 40 0 JHABLO CCCn1cc(C[N@H+]2CCO[C@@](COc3ccc(Cl)cc3)(CC(=O)N3CCCCC3)C2)cn1 ZINC000257296199 570137296 /nfs/dbraw/zinc/13/72/96/570137296.db2.gz RBRMFOWYFWBBIG-VWLOTQADSA-N 1 2 475.033 3.999 40 0 JHABLO Cc1nc2cc(NC(=O)C[N@H+]3CC[C@@](O)(CC(C)C)[C@@H](Oc4ccc(F)cc4)C3)ccc2n1C ZINC000257302381 570139160 /nfs/dbraw/zinc/13/91/60/570139160.db2.gz SCSJGWQQLNVRLO-AZGAKELHSA-N 1 2 468.573 3.890 40 0 JHABLO Cc1nc2cc(NC(=O)C[N@@H+]3CC[C@@](O)(CC(C)C)[C@@H](Oc4ccc(F)cc4)C3)ccc2n1C ZINC000257302381 570139162 /nfs/dbraw/zinc/13/91/62/570139162.db2.gz SCSJGWQQLNVRLO-AZGAKELHSA-N 1 2 468.573 3.890 40 0 JHABLO CC(=O)c1ccc(NC(=O)C[N@@H+]2CC[C@H]3O[C@H]4c5cc(O)ccc5OC(C)(C)[C@@H]4C[C@@H]32)cc1 ZINC000257325864 570146306 /nfs/dbraw/zinc/14/63/06/570146306.db2.gz WUTTUXRSXGHMCQ-BEZYRKKYSA-N 1 2 450.535 3.925 40 0 JHABLO CC(=O)c1ccc(NC(=O)C[N@H+]2CC[C@H]3O[C@H]4c5cc(O)ccc5OC(C)(C)[C@@H]4C[C@@H]32)cc1 ZINC000257325864 570146307 /nfs/dbraw/zinc/14/63/07/570146307.db2.gz WUTTUXRSXGHMCQ-BEZYRKKYSA-N 1 2 450.535 3.925 40 0 JHABLO CCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@@H]2c1cc(OC)c(OC)c(OC)c1 ZINC000261363572 570168088 /nfs/dbraw/zinc/16/80/88/570168088.db2.gz HOVMAEZBIMYEFC-QHCPKHFHSA-O 1 2 483.570 3.578 40 0 JHABLO CCC(=O)N1c2ccc(Br)cc2-c2c(=O)[nH]c(SC)n[n+]2[C@H]1c1ccsc1 ZINC000261364650 570168522 /nfs/dbraw/zinc/16/85/22/570168522.db2.gz MROJOQPUFQCSOJ-KRWDZBQOSA-O 1 2 464.390 3.986 40 0 JHABLO CCSc1n[n+]2c(c(=O)[nH]1)-c1cc(Br)ccc1N[C@@H]2c1ccc(OC)c(O)c1 ZINC000261364352 570168544 /nfs/dbraw/zinc/16/85/44/570168544.db2.gz KXOLGASUFJKXSR-KRWDZBQOSA-O 1 2 462.349 3.698 40 0 JHABLO CCC(=O)Oc1ccc(C)cc1[C@@H]1N(C(=O)CC)c2ccccc2-c2c(=O)[nH]c(SC)n[n+]21 ZINC000261364395 570168585 /nfs/dbraw/zinc/16/85/85/570168585.db2.gz LGEXUZQRPMAJDK-HSZRJFAPSA-O 1 2 465.555 3.786 40 0 JHABLO CCOC(=O)Cn1nnnc1[C@H](CC)[N@H+](Cc1cccs1)Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000001375466 194110103 /nfs/dbraw/zinc/11/01/03/194110103.db2.gz GMXKHTCEUDFRHF-NRFANRHFSA-N 1 2 494.621 3.910 40 0 JHABLO CCOC(=O)Cn1nnnc1[C@H](CC)[N@@H+](Cc1cccs1)Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000001375466 194110106 /nfs/dbraw/zinc/11/01/06/194110106.db2.gz GMXKHTCEUDFRHF-NRFANRHFSA-N 1 2 494.621 3.910 40 0 JHABLO CC[C@@H](c1nnnn1C1CCCC1)[N@@H+](Cc1cc2cc3c(cc2[nH]c1=O)OCCO3)C[C@@H]1CCCO1 ZINC000057641247 195355379 /nfs/dbraw/zinc/35/53/79/195355379.db2.gz DRLMYAJNPULDOL-UNMCSNQZSA-N 1 2 494.596 3.533 40 0 JHABLO CC[C@@H](c1nnnn1C1CCCC1)[N@H+](Cc1cc2cc3c(cc2[nH]c1=O)OCCO3)C[C@@H]1CCCO1 ZINC000057641247 195355381 /nfs/dbraw/zinc/35/53/81/195355381.db2.gz DRLMYAJNPULDOL-UNMCSNQZSA-N 1 2 494.596 3.533 40 0 JHABLO CC[C@@H](c1nnnn1CCOC)[N@H+](Cc1ccccc1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000057641955 195355940 /nfs/dbraw/zinc/35/59/40/195355940.db2.gz WCXCWHABQXOPCN-DEOSSOPVSA-N 1 2 460.582 3.931 40 0 JHABLO CC[C@@H](c1nnnn1CCOC)[N@@H+](Cc1ccccc1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000057641955 195355944 /nfs/dbraw/zinc/35/59/44/195355944.db2.gz WCXCWHABQXOPCN-DEOSSOPVSA-N 1 2 460.582 3.931 40 0 JHABLO CC[C@@H](c1nnnn1CCOC)[N@H+](Cc1ccc(OC)cc1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000057641963 195356011 /nfs/dbraw/zinc/35/60/11/195356011.db2.gz YWMKXDHSFCOTFR-VWLOTQADSA-N 1 2 490.608 3.940 40 0 JHABLO CC[C@@H](c1nnnn1CCOC)[N@@H+](Cc1ccc(OC)cc1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000057641963 195356013 /nfs/dbraw/zinc/35/60/13/195356013.db2.gz YWMKXDHSFCOTFR-VWLOTQADSA-N 1 2 490.608 3.940 40 0 JHABLO CC[C@H](c1nnnn1CCOC)[N@H+](Cc1cccs1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000057641641 195356092 /nfs/dbraw/zinc/35/60/92/195356092.db2.gz VHSRBJPUBFZSAL-JOCHJYFZSA-N 1 2 466.611 3.993 40 0 JHABLO CC[C@H](c1nnnn1CCOC)[N@@H+](Cc1cccs1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000057641641 195356095 /nfs/dbraw/zinc/35/60/95/195356095.db2.gz VHSRBJPUBFZSAL-JOCHJYFZSA-N 1 2 466.611 3.993 40 0 JHABLO COc1ccc2cc([C@H](c3nnnn3C3CCCCC3)[NH+]3CCCCCC3)c3nnnn3c2c1 ZINC000057675113 195357452 /nfs/dbraw/zinc/35/74/52/195357452.db2.gz ZNQTUCOJLSKCHU-JOCHJYFZSA-N 1 2 461.574 3.743 40 0 JHABLO CCC[C@@]1(C(=O)OCC)[NH2+][C@@H](c2cccs2)[C@H]2C(=O)N(c3ccc(OCC)cc3)C(=O)[C@@H]21 ZINC000012497639 520947555 /nfs/dbraw/zinc/94/75/55/520947555.db2.gz IGDYNVPJCWRFIT-CMCWBKRRSA-N 1 2 456.564 3.699 40 0 JHABLO CCOc1ccc2[nH]c(=O)c([C@@H](c3nnnn3Cc3ccccc3)[NH+]3CCCCCC3)cc2c1 ZINC000006196888 521284101 /nfs/dbraw/zinc/28/41/01/521284101.db2.gz KPTNLVGHQRVLJM-DEOSSOPVSA-N 1 2 458.566 3.927 40 0 JHABLO COc1ccc(S(=O)(=O)N(CC(=O)NCc2ccccc2-n2cc[nH+]c2)c2ccc(F)cc2)cc1 ZINC000022523394 525009469 /nfs/dbraw/zinc/00/94/69/525009469.db2.gz ASXYSGZWISCUJO-UHFFFAOYSA-N 1 2 494.548 3.532 40 0 JHABLO O=C1Nc2ccc(Br)cc2[C@@]12[C@@H]1C(=O)N(c3cccc(Cl)c3)C(=O)[C@H]1[C@@H]1CCC[N@@H+]12 ZINC000020437288 527089555 /nfs/dbraw/zinc/08/95/55/527089555.db2.gz GGSTUHIKEGIRMV-VDNWNZSNSA-N 1 2 486.753 3.534 40 0 JHABLO O=C1Nc2ccc(Br)cc2[C@@]12[C@@H]1C(=O)N(c3cccc(Cl)c3)C(=O)[C@H]1[C@@H]1CCC[N@H+]12 ZINC000020437288 527089560 /nfs/dbraw/zinc/08/95/60/527089560.db2.gz GGSTUHIKEGIRMV-VDNWNZSNSA-N 1 2 486.753 3.534 40 0 JHABLO O=C(Nc1ccccc1)N1C[C@H]2C[C@@H](C1)Cn1c2ccc(-c2ccccc2C[NH+]2CCOCC2)c1=O ZINC000020503625 527394377 /nfs/dbraw/zinc/39/43/77/527394377.db2.gz HFPUXQLDLSQOIP-JTHBVZDNSA-N 1 2 484.600 3.999 40 0 biogenic,in-vitro JHABLO COc1ccc(NC(=S)N(CC[NH+]2CCOCC2)Cc2cc3c(C)ccc(C)c3[nH]c2=O)cc1 ZINC000000878496 553814263 /nfs/dbraw/zinc/81/42/63/553814263.db2.gz QEAIJBGTBYAOOS-UHFFFAOYSA-N 1 2 480.634 3.685 40 0 JHABLO COc1ccc(-n2c(CNc3ccc(Cl)cc3)nnc2SCC[NH+]2CCOCC2)cc1 ZINC000000900488 553834180 /nfs/dbraw/zinc/83/41/80/553834180.db2.gz HOPYFQVXKQTTQQ-UHFFFAOYSA-N 1 2 460.003 3.966 40 0 JHABLO COc1ccc(CC[N@H+](Cc2nnnn2C(C)(C)C)Cc2cc3ccc(C)cc3[nH]c2=O)cc1OC ZINC000000926075 553862321 /nfs/dbraw/zinc/86/23/21/553862321.db2.gz BPMNQPLKQWKFJY-UHFFFAOYSA-N 1 2 490.608 3.840 40 0 JHABLO COc1ccc(CC[N@@H+](Cc2nnnn2C(C)(C)C)Cc2cc3ccc(C)cc3[nH]c2=O)cc1OC ZINC000000926075 553862323 /nfs/dbraw/zinc/86/23/23/553862323.db2.gz BPMNQPLKQWKFJY-UHFFFAOYSA-N 1 2 490.608 3.840 40 0 JHABLO CCOc1ccc2[nH]c(=O)c(C[N@H+](CCc3ccccc3)Cc3nnnn3C(C)(C)C)cc2c1 ZINC000000927917 553865262 /nfs/dbraw/zinc/86/52/62/553865262.db2.gz GQUMHIXTWRIBJB-UHFFFAOYSA-N 1 2 460.582 3.913 40 0 JHABLO CCOc1ccc2[nH]c(=O)c(C[N@@H+](CCc3ccccc3)Cc3nnnn3C(C)(C)C)cc2c1 ZINC000000927917 553865265 /nfs/dbraw/zinc/86/52/65/553865265.db2.gz GQUMHIXTWRIBJB-UHFFFAOYSA-N 1 2 460.582 3.913 40 0 JHABLO C[C@@H]1CCC[N@@H+]([C@H](c2nnnn2C2CCCCC2)c2cc3cc4c(cc3[nH]c2=O)OCCO4)C1 ZINC000006283156 554526223 /nfs/dbraw/zinc/52/62/23/554526223.db2.gz UAZRVOTWRZTYOK-MWTRTKDXSA-N 1 2 464.570 3.612 40 0 JHABLO C[C@@H]1CCC[N@H+]([C@H](c2nnnn2C2CCCCC2)c2cc3cc4c(cc3[nH]c2=O)OCCO4)C1 ZINC000006283156 554526227 /nfs/dbraw/zinc/52/62/27/554526227.db2.gz UAZRVOTWRZTYOK-MWTRTKDXSA-N 1 2 464.570 3.612 40 0 JHABLO O=c1[nH]c2cc3c(cc2cc1[C@@H](c1nnnn1C1CCCCC1)[NH+]1CCCCCC1)OCCO3 ZINC000006445173 554539280 /nfs/dbraw/zinc/53/92/80/554539280.db2.gz XTVRXMKAZFARRY-QHCPKHFHSA-N 1 2 464.570 3.756 40 0 JHABLO Cc1ccc2cc(C[N@@H+](C[C@@H]3CCCO3)[C@@H](c3nnnn3C(C)(C)C)C(C)C)c(=O)[nH]c2c1 ZINC000013498488 555421304 /nfs/dbraw/zinc/42/13/04/555421304.db2.gz FZMAMIUIEWECLN-RBBKRZOGSA-N 1 2 452.603 3.956 40 0 JHABLO Cc1ccc2cc(C[N@H+](C[C@@H]3CCCO3)[C@@H](c3nnnn3C(C)(C)C)C(C)C)c(=O)[nH]c2c1 ZINC000013498488 555421307 /nfs/dbraw/zinc/42/13/07/555421307.db2.gz FZMAMIUIEWECLN-RBBKRZOGSA-N 1 2 452.603 3.956 40 0 JHABLO CCC[C@H](c1nnnn1C1CCCCC1)[N@H+](CCCO)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000013499405 555431300 /nfs/dbraw/zinc/43/13/00/555431300.db2.gz RTHBRQGCSAWEJQ-JOCHJYFZSA-N 1 2 496.612 3.517 40 0 JHABLO CCC[C@H](c1nnnn1C1CCCCC1)[N@@H+](CCCO)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000013499405 555431301 /nfs/dbraw/zinc/43/13/01/555431301.db2.gz RTHBRQGCSAWEJQ-JOCHJYFZSA-N 1 2 496.612 3.517 40 0 JHABLO Cc1ccc2[nH]c(=O)c(C[N@@H+](C[C@@H]3CCCO3)[C@@H](c3nnnn3Cc3ccco3)C(C)C)cc2c1 ZINC000013500398 555439882 /nfs/dbraw/zinc/43/98/82/555439882.db2.gz WQGBETFMBDQVFW-XUZZJYLKSA-N 1 2 476.581 3.843 40 0 JHABLO Cc1ccc2[nH]c(=O)c(C[N@H+](C[C@@H]3CCCO3)[C@@H](c3nnnn3Cc3ccco3)C(C)C)cc2c1 ZINC000013500398 555439883 /nfs/dbraw/zinc/43/98/83/555439883.db2.gz WQGBETFMBDQVFW-XUZZJYLKSA-N 1 2 476.581 3.843 40 0 JHABLO CCOC(=O)Cn1nnnc1[C@H](C(C)C)[N@H+](Cc1cccs1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013500483 555440633 /nfs/dbraw/zinc/44/06/33/555440633.db2.gz ACRQJQACHWCXBG-QHCPKHFHSA-N 1 2 494.621 3.847 40 0 JHABLO CCOC(=O)Cn1nnnc1[C@H](C(C)C)[N@@H+](Cc1cccs1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013500483 555440636 /nfs/dbraw/zinc/44/06/36/555440636.db2.gz ACRQJQACHWCXBG-QHCPKHFHSA-N 1 2 494.621 3.847 40 0 JHABLO Cc1cc(C)c2[nH]c(=O)c(C[N@@H+](CCO)[C@H](c3nnnn3CCc3ccccc3)C(C)C)cc2c1 ZINC000013500527 555440979 /nfs/dbraw/zinc/44/09/79/555440979.db2.gz MBIJLUPWBUKBGZ-VWLOTQADSA-N 1 2 474.609 3.566 40 0 JHABLO Cc1cc(C)c2[nH]c(=O)c(C[N@H+](CCO)[C@H](c3nnnn3CCc3ccccc3)C(C)C)cc2c1 ZINC000013500527 555440984 /nfs/dbraw/zinc/44/09/84/555440984.db2.gz MBIJLUPWBUKBGZ-VWLOTQADSA-N 1 2 474.609 3.566 40 0 JHABLO CCC[C@H](c1nnnn1CC(=O)OCC)[N@H+](Cc1cccs1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013500954 555445606 /nfs/dbraw/zinc/44/56/06/555445606.db2.gz NOOUAPNSCCNUOR-OAQYLSRUSA-N 1 2 494.621 3.991 40 0 JHABLO CCC[C@H](c1nnnn1CC(=O)OCC)[N@@H+](Cc1cccs1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013500954 555445607 /nfs/dbraw/zinc/44/56/07/555445607.db2.gz NOOUAPNSCCNUOR-OAQYLSRUSA-N 1 2 494.621 3.991 40 0 JHABLO CCc1nn2c(nnc(C(=O)N3CC[NH+](Cc4ccccc4)CC3)c2C)c1-c1ccc(F)cc1 ZINC000013610814 555534448 /nfs/dbraw/zinc/53/44/48/555534448.db2.gz UTSOPHXHDZICDE-UHFFFAOYSA-N 1 2 458.541 3.759 40 0 JHABLO CC[NH+](CC)CN1c2ccc(Br)cc2[C@@]2(NCCc3c4ccccc4[nH]c32)C1=O ZINC000013635329 555544634 /nfs/dbraw/zinc/54/46/34/555544634.db2.gz GVXQCPAKRRRHTN-QHCPKHFHSA-N 1 2 453.384 3.966 40 0 JHABLO CC[C@@H](C(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1)N(c1cccc(Cl)c1)S(C)(=O)=O ZINC000013712824 555590323 /nfs/dbraw/zinc/59/03/23/555590323.db2.gz ABLQAXZXKYYUCS-HDFUYHJRSA-N 1 2 476.042 3.742 40 0 JHABLO Cc1ccc(C)c2[nH]c(=O)c(C[N@H+](CCc3ccccc3)Cc3nnnn3C[C@H]3CCCO3)cc12 ZINC000020081732 555630455 /nfs/dbraw/zinc/63/04/55/555630455.db2.gz ODPALGPLADJYMJ-HSZRJFAPSA-N 1 2 472.593 3.555 40 0 JHABLO Cc1ccc(C)c2[nH]c(=O)c(C[N@@H+](CCc3ccccc3)Cc3nnnn3C[C@H]3CCCO3)cc12 ZINC000020081732 555630457 /nfs/dbraw/zinc/63/04/57/555630457.db2.gz ODPALGPLADJYMJ-HSZRJFAPSA-N 1 2 472.593 3.555 40 0 JHABLO O=C(Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1)c1cccc(C[NH+]2CCOCC2)c1 ZINC000020104327 555636563 /nfs/dbraw/zinc/63/65/63/555636563.db2.gz KRNSECMGDVMZHM-UHFFFAOYSA-N 1 2 451.548 3.572 40 0 JHABLO CCC[C@@]1(C(=O)OCC)[NH2+][C@@H](c2ccccc2C)[C@H]2C(=O)N(c3cccc(C(C)=O)c3)C(=O)[C@H]21 ZINC000020150790 555667483 /nfs/dbraw/zinc/66/74/83/555667483.db2.gz PJMDWFBVLPZOAQ-RNLGNXJRSA-N 1 2 462.546 3.750 40 0 JHABLO Cc1cc(Cl)ccc1C[C@@H](O)CN1CC[NH+](C[C@H](O)COc2ccc(Cl)cc2C)CC1 ZINC000027530952 556291406 /nfs/dbraw/zinc/29/14/06/556291406.db2.gz HOMAWCZWSDXOJZ-PKTZIBPZSA-N 1 2 467.437 3.571 40 0 JHABLO O=C1Nc2ccc(Cl)cc2[C@@]12[C@@H]1C(=O)N(c3ccc(F)c(Cl)c3)C(=O)[C@@H]1[C@H]1CCC[N@@H+]12 ZINC000018158938 556296262 /nfs/dbraw/zinc/29/62/62/556296262.db2.gz OTVFKKCVIQSWDH-QSNWEANLSA-N 1 2 460.292 3.564 40 0 JHABLO O=C1Nc2ccc(Cl)cc2[C@@]12[C@@H]1C(=O)N(c3ccc(F)c(Cl)c3)C(=O)[C@@H]1[C@H]1CCC[N@H+]12 ZINC000018158938 556296263 /nfs/dbraw/zinc/29/62/63/556296263.db2.gz OTVFKKCVIQSWDH-QSNWEANLSA-N 1 2 460.292 3.564 40 0 JHABLO CCOc1ccc2[nH]c(=O)c(CN(CC[NH+]3CCOCC3)C(=S)N[C@H](C)c3ccccc3)cc2c1 ZINC000019824460 556395377 /nfs/dbraw/zinc/39/53/77/556395377.db2.gz IIOOBUSPMYZGQC-HXUWFJFHSA-N 1 2 494.661 3.697 40 0 JHABLO COc1ccc2cc([C@@H](c3nnnn3CCc3ccccc3)[NH+]3CCC(C)CC3)c(=O)[nH]c2c1 ZINC000008666646 562948806 /nfs/dbraw/zinc/94/88/06/562948806.db2.gz UIAGQVXPQBZWHF-DEOSSOPVSA-N 1 2 458.566 4.000 40 0 JHABLO O=c1[nH]c2cc3c(cc2cc1[C@@H](c1nnnn1Cc1ccccc1)[NH+]1CCCCCC1)OCCO3 ZINC000008671841 562949702 /nfs/dbraw/zinc/94/97/02/562949702.db2.gz LLYNHRNCFLHUEF-DEOSSOPVSA-N 1 2 472.549 3.712 40 0 JHABLO CN1C(=O)[C@@]23CCCC[N@@H+]2C[C@@]12C[C@]1(c4ccc5c(c4NC1=O)OC=CC(C)(C)O5)C(C)(C)[C@H]2C3 ZINC000053006601 563204880 /nfs/dbraw/zinc/20/48/80/563204880.db2.gz KYKUTNUWXQVSSU-WIWHYGFKSA-N 1 2 477.605 3.825 40 0 biogenic,in-vitro JHABLO CN1C(=O)[C@@]23CCCC[N@H+]2C[C@@]12C[C@]1(c4ccc5c(c4NC1=O)OC=CC(C)(C)O5)C(C)(C)[C@H]2C3 ZINC000053006601 563204881 /nfs/dbraw/zinc/20/48/81/563204881.db2.gz KYKUTNUWXQVSSU-WIWHYGFKSA-N 1 2 477.605 3.825 40 0 biogenic,in-vitro JHABLO Cc1cc(C)cc(NS(=O)(=O)c2ccc(OCC(=O)N3CC[NH+](Cc4ccccc4)CC3)cc2)c1 ZINC000033668458 569630442 /nfs/dbraw/zinc/63/04/42/569630442.db2.gz JKLRPUXSLVVXRO-UHFFFAOYSA-N 1 2 493.629 3.827 40 0 JHABLO CC[C@H](c1nnnn1C[C@H]1CCCO1)[N@H+](Cc1ccccc1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000033936982 569638115 /nfs/dbraw/zinc/63/81/15/569638115.db2.gz VUUBSPMEXPGBDN-ILBGXUMGSA-N 1 2 488.592 3.856 40 0 JHABLO CC[C@H](c1nnnn1C[C@H]1CCCO1)[N@@H+](Cc1ccccc1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000033936982 569638117 /nfs/dbraw/zinc/63/81/17/569638117.db2.gz VUUBSPMEXPGBDN-ILBGXUMGSA-N 1 2 488.592 3.856 40 0 JHABLO Cc1ccc(S(=O)(=O)N2CCC[C@@H]2c2ccc[nH+]c2N2CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC000072216471 569700537 /nfs/dbraw/zinc/70/05/37/569700537.db2.gz QRVJBILNYFTVCW-JOCHJYFZSA-N 1 2 486.638 3.973 40 0 JHABLO O=C(N/C(=C/c1c[nH]c2ccccc12)C(=O)N1CCN(c2cccc[nH+]2)CC1)c1ccccc1 ZINC000211525866 569876178 /nfs/dbraw/zinc/87/61/78/569876178.db2.gz YGVJYMBCLAZOGW-HKOYGPOVSA-N 1 2 451.530 3.683 40 0 JHABLO O=C(CCc1ccccc1)N(Cc1ccccc1)[C@@H](Cc1ccccc1)C(=O)NCC[NH+]1CCOCC1 ZINC000223069397 569898501 /nfs/dbraw/zinc/89/85/01/569898501.db2.gz IPGRMVWVMDNMDB-LJAQVGFWSA-N 1 2 499.655 3.708 40 0 JHABLO CCOc1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2CC[NH+]2CCOCC2)cc1 ZINC000223153432 569901307 /nfs/dbraw/zinc/90/13/07/569901307.db2.gz NWPQEMCKMOCRJG-JWQCQUIFSA-N 1 2 477.634 3.576 40 0 JHABLO Cc1cc(C)c([C@@H](C)NC(=O)c2cc(S(=O)(=O)N3CC[NH+](C)CC3)ccc2Cl)cc1C ZINC000223478228 569912673 /nfs/dbraw/zinc/91/26/73/569912673.db2.gz DXDMKGPVHHQMQU-GOSISDBHSA-N 1 2 464.031 3.692 40 0 JHABLO Cc1cc(C)cc(N(CCCC(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)S(C)(=O)=O)c1 ZINC000223541726 569915315 /nfs/dbraw/zinc/91/53/15/569915315.db2.gz NAFDLOTZYOAZME-YRNVUSSQSA-N 1 2 469.651 3.707 40 0 JHABLO Cc1ccc(S(=O)(=O)Nc2cc(C(=O)NCc3cccc(C[NH+]4CCOCC4)c3)ccc2C)cc1 ZINC000224727554 569954947 /nfs/dbraw/zinc/95/49/47/569954947.db2.gz ODWFJVRKOBKOQH-UHFFFAOYSA-N 1 2 493.629 3.866 40 0 JHABLO Cc1ccc(C(=O)NCc2cccc(C[NH+]3CCOCC3)c2)cc1NS(=O)(=O)c1ccccc1 ZINC000224727509 569954972 /nfs/dbraw/zinc/95/49/72/569954972.db2.gz PSQBQIXEDOZKIL-UHFFFAOYSA-N 1 2 479.602 3.558 40 0 JHABLO Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCc3cccc(C[NH+]4CCOCC4)c3)cc2C)cc1 ZINC000224727762 569955047 /nfs/dbraw/zinc/95/50/47/569955047.db2.gz NVKLSWFYNMHSSN-UHFFFAOYSA-N 1 2 493.629 3.866 40 0 JHABLO CCOc1cc([C@H]2C(C(=O)Nc3cc(OC)c(Cl)cc3OC)=C(C)[NH+]=C3N=CNN32)ccc1O ZINC000408617538 569976313 /nfs/dbraw/zinc/97/63/13/569976313.db2.gz COPGHSVEEYBQQE-NRFANRHFSA-N 1 2 485.928 3.633 40 0 JHABLO COc1ccc(C(=O)N2CCOC[C@H](Cc3ccc4[nH+]ccn4c3)C2)cc1OCc1ccccn1 ZINC000257205970 570109744 /nfs/dbraw/zinc/10/97/44/570109744.db2.gz BBHQRYZPXIPAOH-OAQYLSRUSA-N 1 2 472.545 3.648 40 0 JHABLO O=C(NC1CCCC1)c1cnn2c1nccc2[C@H]1CCCN1C(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000257212228 570111718 /nfs/dbraw/zinc/11/17/18/570111718.db2.gz CCLAOJJEVXYEJW-HSZRJFAPSA-N 1 2 483.576 3.624 40 0 JHABLO O=C(NC1CCCC1)c1cnn2c1nccc2[C@@H]1CCCN1C(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000257212229 570111735 /nfs/dbraw/zinc/11/17/35/570111735.db2.gz CCLAOJJEVXYEJW-QHCPKHFHSA-N 1 2 483.576 3.624 40 0 JHABLO CO[C@H]1C[N@H+](CC(=O)Nc2nc3ccc(F)cc3s2)C[C@@]12CCCN2C(=O)OCc1ccccc1 ZINC000257281957 570133337 /nfs/dbraw/zinc/13/33/37/570133337.db2.gz ORRRNCUJXLDWRE-OFVILXPXSA-N 1 2 498.580 3.876 40 0 JHABLO CO[C@H]1C[N@@H+](CC(=O)Nc2nc3ccc(F)cc3s2)C[C@@]12CCCN2C(=O)OCc1ccccc1 ZINC000257281957 570133338 /nfs/dbraw/zinc/13/33/38/570133338.db2.gz ORRRNCUJXLDWRE-OFVILXPXSA-N 1 2 498.580 3.876 40 0 JHABLO CC(C)CC(=O)N1CCN(C(=O)c2cccc(Cn3cc[nH+]c3)c2)C[C@@H](Cc2ccccn2)C1 ZINC000257287662 570134886 /nfs/dbraw/zinc/13/48/86/570134886.db2.gz PQZPQAOPBKNDMX-QHCPKHFHSA-N 1 2 459.594 3.516 40 0 JHABLO O=C(c1ccccc1C[NH+]1CCOCC1)N1CCC[C@@]2(CN(c3ccc(F)cc3)C(=O)O2)CC1 ZINC000257287770 570135040 /nfs/dbraw/zinc/13/50/40/570135040.db2.gz PRKNQUJDALMGKH-SANMLTNESA-N 1 2 467.541 3.680 40 0 JHABLO COc1ccc(Nc2ncccc2C(=O)N2CCOC[C@@H](Cc3ccc4[nH+]ccn4c3)C2)cc1 ZINC000257297798 570137767 /nfs/dbraw/zinc/13/77/67/570137767.db2.gz RIVRDDRVJAWUJB-FQEVSTJZSA-N 1 2 457.534 3.813 40 0 JHABLO COc1ccc([C@@H]2CN(C(=O)C3(Cc4ccccc4F)CCN(C(C)=O)CC3)CC[N@@H+]2C)cc1 ZINC000257303905 570139644 /nfs/dbraw/zinc/13/96/44/570139644.db2.gz SJGITDSBLLUREX-VWLOTQADSA-N 1 2 467.585 3.521 40 0 JHABLO COc1ccc([C@@H]2CN(C(=O)C3(Cc4ccccc4F)CCN(C(C)=O)CC3)CC[N@H+]2C)cc1 ZINC000257303905 570139645 /nfs/dbraw/zinc/13/96/45/570139645.db2.gz SJGITDSBLLUREX-VWLOTQADSA-N 1 2 467.585 3.521 40 0 JHABLO Cc1cc(N2CC[C@](O)(CN(C)C(=O)c3ccc4c(c3)ncn4C(C)C)C2)c2cnccc2[nH+]1 ZINC000257317631 570143787 /nfs/dbraw/zinc/14/37/87/570143787.db2.gz VKOPOBVSBVEMPE-SANMLTNESA-N 1 2 458.566 3.582 40 0 JHABLO CNC(=O)c1sc2ncccc2c1[C@@H]1C[N@H+](Cc2cn(C)c3cc(OC)ccc23)CCO1 ZINC000257319466 570144175 /nfs/dbraw/zinc/14/41/75/570144175.db2.gz VSRGRSZURGQVFF-FQEVSTJZSA-N 1 2 450.564 3.730 40 0 JHABLO CNC(=O)c1sc2ncccc2c1[C@@H]1C[N@@H+](Cc2cn(C)c3cc(OC)ccc23)CCO1 ZINC000257319466 570144176 /nfs/dbraw/zinc/14/41/76/570144176.db2.gz VSRGRSZURGQVFF-FQEVSTJZSA-N 1 2 450.564 3.730 40 0 JHABLO Cc1sc(NC(=O)C[NH+]2CCC3(CC2)CCC(C)(C)N(S(C)(=O)=O)C3)nc1-c1ccccc1 ZINC000257331070 570147852 /nfs/dbraw/zinc/14/78/52/570147852.db2.gz XRGPPFDQEKXEJX-UHFFFAOYSA-N 1 2 490.695 3.973 40 0 JHABLO COc1cc(C(=O)N2CCOC[C@@H](Cc3ccc4[nH+]ccn4c3)C2)ccc1OCc1ccccn1 ZINC000257343739 570151397 /nfs/dbraw/zinc/15/13/97/570151397.db2.gz ZUFHLJXMZGLQCF-NRFANRHFSA-N 1 2 472.545 3.648 40 0 JHABLO COc1ccc(Br)c([C@@H]2N(C(C)=O)c3ccccc3-c3c(=O)[nH]c(SC)n[n+]32)c1 ZINC000261361749 570167360 /nfs/dbraw/zinc/16/73/60/570167360.db2.gz BUXUCRRMKVZMCK-LJQANCHMSA-O 1 2 474.360 3.543 40 0 JHABLO CCOc1cc([C@H]2N(C(=O)CC)c3ccccc3-c3c(=O)[nH]c(SC)n[n+]32)ccc1OC ZINC000261363068 570167733 /nfs/dbraw/zinc/16/77/33/570167733.db2.gz FUBURJZIIWMYDG-QFIPXVFZSA-O 1 2 453.544 3.569 40 0 JHABLO CCC(=O)N1c2ccccc2-c2c(=O)[nH]c(SC)n[n+]2[C@H]1c1cccc(Br)c1 ZINC000261363545 570168027 /nfs/dbraw/zinc/16/80/27/570168027.db2.gz HLLHQJNFFNTUSV-IBGZPJMESA-O 1 2 458.361 3.925 40 0 JHABLO CCC(=O)N1c2ccc(Br)cc2-c2c(=O)[nH]c(SC)n[n+]2[C@@H]1c1ccsc1 ZINC000261364651 570168571 /nfs/dbraw/zinc/16/85/71/570168571.db2.gz MROJOQPUFQCSOJ-QGZVFWFLSA-O 1 2 464.390 3.986 40 0 JHABLO OCCCNc1nc(NCc2ccc(Cl)cc2)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000328987668 570180613 /nfs/dbraw/zinc/18/06/13/570180613.db2.gz IDLYNVQFBMLFRT-UHFFFAOYSA-N 1 2 452.864 3.946 40 0 JHABLO Cc1cc(C)c(S(=O)(=O)N2CCC[C@@H](C(=O)N3CC[NH+](C/C=C/c4ccccc4)CC3)C2)c(C)c1 ZINC000408589360 570208767 /nfs/dbraw/zinc/20/87/67/570208767.db2.gz FEHZJYMPTDFEDI-UWAOBNACSA-N 1 2 495.689 3.870 40 0 JHABLO COc1ccc(S(=O)(=O)NCCCn2cc[nH+]c2)cc1NC(=O)c1ccc(Cl)cc1Cl ZINC000408592985 570209652 /nfs/dbraw/zinc/20/96/52/570209652.db2.gz LIPSPZZAGOAYMU-UHFFFAOYSA-N 1 2 483.377 3.819 40 0 JHABLO Cc1ccc2cc(CN(CC[NH+]3CCOCC3)C(=O)Nc3cccc(Cl)c3)c(=O)[nH]c2c1 ZINC000001352792 194099751 /nfs/dbraw/zinc/09/97/51/194099751.db2.gz USWNUEWAPMYXGP-UHFFFAOYSA-N 1 2 454.958 3.856 40 0 JHABLO Cc1cccc2cc(CN(CC[NH+]3CCOCC3)C(=O)Nc3ccccc3Cl)c(=O)[nH]c12 ZINC000001378182 194112414 /nfs/dbraw/zinc/11/24/14/194112414.db2.gz DSRSDKBXMCTGKE-UHFFFAOYSA-N 1 2 454.958 3.856 40 0 JHABLO O=C(c1ccco1)N1CCN(c2[nH+]cnc3c2cnn3Cc2ccc(Cl)cc2Cl)CC1 ZINC000001508000 194126553 /nfs/dbraw/zinc/12/65/53/194126553.db2.gz WEBPFMQFDSZCBH-UHFFFAOYSA-N 1 2 457.321 3.737 40 0 JHABLO CCOC(=O)C1CC[NH+]([C@H](c2nnnn2C(C)(C)CC)c2cc3cc(CC)ccc3[nH]c2=O)CC1 ZINC000057589573 195351345 /nfs/dbraw/zinc/35/13/45/195351345.db2.gz HTQNWSNZKNIUNV-QFIPXVFZSA-N 1 2 480.613 3.587 40 0 JHABLO CCOC(=O)C1CC[NH+]([C@@H](c2nnnn2C2CCCC2)c2cc3ccc(C)c(C)c3[nH]c2=O)CC1 ZINC000057589685 195351407 /nfs/dbraw/zinc/35/14/07/195351407.db2.gz RUSCHMGRWIWNQL-HSZRJFAPSA-N 1 2 478.597 3.611 40 0 JHABLO CCOC(=O)C1CC[NH+]([C@H](c2nnnn2C(C)(C)CC)c2cc3c(C)ccc(C)c3[nH]c2=O)CC1 ZINC000057589876 195351722 /nfs/dbraw/zinc/35/17/22/195351722.db2.gz UVYPXJIXSRUQDG-QFIPXVFZSA-N 1 2 480.613 3.641 40 0 JHABLO CC[C@H](c1nnnn1CCOC)[N@H+](Cc1cccs1)Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000057642139 195356170 /nfs/dbraw/zinc/35/61/70/195356170.db2.gz IAVALVODVHZDPP-OAQYLSRUSA-N 1 2 466.611 3.993 40 0 JHABLO CC[C@H](c1nnnn1CCOC)[N@@H+](Cc1cccs1)Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000057642139 195356173 /nfs/dbraw/zinc/35/61/73/195356173.db2.gz IAVALVODVHZDPP-OAQYLSRUSA-N 1 2 466.611 3.993 40 0 JHABLO CC[C@@H](c1nnnn1CCOC)[N@H+](Cc1cccs1)Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000057642135 195356282 /nfs/dbraw/zinc/35/62/82/195356282.db2.gz IAVALVODVHZDPP-NRFANRHFSA-N 1 2 466.611 3.993 40 0 JHABLO CC[C@@H](c1nnnn1CCOC)[N@@H+](Cc1cccs1)Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000057642135 195356285 /nfs/dbraw/zinc/35/62/85/195356285.db2.gz IAVALVODVHZDPP-NRFANRHFSA-N 1 2 466.611 3.993 40 0 JHABLO CCc1ccc2[nH]c(=O)c([C@@H](c3nnnn3Cc3ccc(OC)cc3)[N@@H+]3CCC[C@H](C)C3)cc2c1 ZINC000006198089 524058185 /nfs/dbraw/zinc/05/81/85/524058185.db2.gz ICJOGPUYDGBDQW-BVZFJXPGSA-N 1 2 472.593 3.955 40 0 JHABLO CCc1ccc2[nH]c(=O)c([C@@H](c3nnnn3Cc3ccc(OC)cc3)[N@H+]3CCC[C@H](C)C3)cc2c1 ZINC000006198089 524058186 /nfs/dbraw/zinc/05/81/86/524058186.db2.gz ICJOGPUYDGBDQW-BVZFJXPGSA-N 1 2 472.593 3.955 40 0 JHABLO CCc1ccc2[nH]c(=O)c([C@@H](c3nnnn3Cc3ccc(OC)cc3)[NH+]3CCCCC3)cc2c1 ZINC000006198087 524058646 /nfs/dbraw/zinc/05/86/46/524058646.db2.gz GIUTYWHOOVOXQO-DEOSSOPVSA-N 1 2 458.566 3.709 40 0 JHABLO Cc1ccc(C)c2[nH]c(=O)c([C@H](c3nnnn3C3CCCC3)N3CC[NH+](Cc4cccnc4)CC3)cc12 ZINC000020083466 524215013 /nfs/dbraw/zinc/21/50/13/524215013.db2.gz LJNLTYRPXJFJRZ-AREMUKBSSA-N 1 2 498.635 3.549 40 0 JHABLO CS(=O)(=O)N(Cc1ccccc1F)c1ccc(C(=O)NCc2ccccc2-n2cc[nH+]c2)cc1 ZINC000022526946 525158861 /nfs/dbraw/zinc/15/88/61/525158861.db2.gz NCTJUZBVYXOUGA-UHFFFAOYSA-N 1 2 478.549 3.908 40 0 JHABLO COc1ccc2cc([C@@H](c3nnnn3Cc3ccc(F)cc3)[NH+]3CCC(C)CC3)c(=O)[nH]c2c1 ZINC000006148953 525638277 /nfs/dbraw/zinc/63/82/77/525638277.db2.gz QSYGHRMYYZAKCO-QHCPKHFHSA-N 1 2 462.529 3.532 40 0 JHABLO COc1cccc(N(CC(=O)NCc2ccccc2-n2cc[nH+]c2)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000020451827 526133144 /nfs/dbraw/zinc/13/31/44/526133144.db2.gz RZZALNVWZJRMHV-UHFFFAOYSA-N 1 2 490.585 3.701 40 0 JHABLO Cc1ccc(C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)cc1S(=O)(=O)N1CCCCCC1 ZINC000020458282 526185306 /nfs/dbraw/zinc/18/53/06/526185306.db2.gz MBTPTORCIHYMLZ-UHFFFAOYSA-N 1 2 452.580 3.675 40 0 JHABLO Cc1ccc(NC(=S)N(CC[NH+]2CCOCC2)Cc2cc3cc(C)ccc3[nH]c2=O)cc1 ZINC000000883293 553819943 /nfs/dbraw/zinc/81/99/43/553819943.db2.gz GIFVTBNTXIKYKR-UHFFFAOYSA-N 1 2 450.608 3.676 40 0 JHABLO Cc1cccc(NC(=S)N(CC[NH+]2CCOCC2)Cc2cc3ccc(C)cc3[nH]c2=O)c1 ZINC000000884858 553823264 /nfs/dbraw/zinc/82/32/64/553823264.db2.gz HMUWHEMPHXOXJO-UHFFFAOYSA-N 1 2 450.608 3.676 40 0 JHABLO COc1ccc(Cn2nnnc2[C@H](c2cc3cc(C)ccc3[nH]c2=O)[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000000907687 553840274 /nfs/dbraw/zinc/84/02/74/553840274.db2.gz ORLCXCSBCPQJMD-KOSHJBKYSA-N 1 2 458.566 3.701 40 0 JHABLO COc1ccc(Cn2nnnc2[C@H](c2cc3cc(C)ccc3[nH]c2=O)[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000000907687 553840277 /nfs/dbraw/zinc/84/02/77/553840277.db2.gz ORLCXCSBCPQJMD-KOSHJBKYSA-N 1 2 458.566 3.701 40 0 JHABLO CCOc1ccc2[nH]c(=O)c(C[N@H+](Cc3nnnn3Cc3ccccc3)C3CCCC3)cc2c1 ZINC000000928079 553865504 /nfs/dbraw/zinc/86/55/04/553865504.db2.gz ZYAQRCAFXWGABT-UHFFFAOYSA-N 1 2 458.566 3.906 40 0 JHABLO CCOc1ccc2[nH]c(=O)c(C[N@@H+](Cc3nnnn3Cc3ccccc3)C3CCCC3)cc2c1 ZINC000000928079 553865506 /nfs/dbraw/zinc/86/55/06/553865506.db2.gz ZYAQRCAFXWGABT-UHFFFAOYSA-N 1 2 458.566 3.906 40 0 JHABLO CCOc1ccc2[nH]c(=O)c([C@H](c3nnnn3Cc3ccc(F)cc3)[N@@H+]3CCC[C@H](C)C3)cc2c1 ZINC000006197011 554518834 /nfs/dbraw/zinc/51/88/34/554518834.db2.gz VJOJGIAHJJNDTR-BXKMTCNYSA-N 1 2 476.556 3.922 40 0 JHABLO CCOc1ccc2[nH]c(=O)c([C@H](c3nnnn3Cc3ccc(F)cc3)[N@H+]3CCC[C@H](C)C3)cc2c1 ZINC000006197011 554518837 /nfs/dbraw/zinc/51/88/37/554518837.db2.gz VJOJGIAHJJNDTR-BXKMTCNYSA-N 1 2 476.556 3.922 40 0 JHABLO C[C@@H]1CCC[N@@H+]([C@H](c2nnnn2C2CCCCC2)c2cc3cc4c(cc3[nH]c2=O)OCO4)C1 ZINC000006283162 554526357 /nfs/dbraw/zinc/52/63/57/554526357.db2.gz DJPOUMBJJBPFTG-QRQCRPRQSA-N 1 2 450.543 3.570 40 0 JHABLO C[C@@H]1CCC[N@H+]([C@H](c2nnnn2C2CCCCC2)c2cc3cc4c(cc3[nH]c2=O)OCO4)C1 ZINC000006283162 554526358 /nfs/dbraw/zinc/52/63/58/554526358.db2.gz DJPOUMBJJBPFTG-QRQCRPRQSA-N 1 2 450.543 3.570 40 0 JHABLO COc1ccc(Cn2nnnc2[C@@H](c2cc3cc(C)ccc3[nH]c2=O)[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000006409328 554534659 /nfs/dbraw/zinc/53/46/59/554534659.db2.gz ORLCXCSBCPQJMD-MHECFPHRSA-N 1 2 458.566 3.701 40 0 JHABLO COc1ccc(Cn2nnnc2[C@@H](c2cc3cc(C)ccc3[nH]c2=O)[N@H+]2CCC[C@H](C)C2)cc1 ZINC000006409328 554534662 /nfs/dbraw/zinc/53/46/62/554534662.db2.gz ORLCXCSBCPQJMD-MHECFPHRSA-N 1 2 458.566 3.701 40 0 JHABLO COc1ccc(Cn2nnnc2[C@H](c2cc3ccc(C)cc3[nH]c2=O)[NH+]2CCC(C)CC2)cc1 ZINC000006409913 554534928 /nfs/dbraw/zinc/53/49/28/554534928.db2.gz KJXHFDBNYBGSIV-DEOSSOPVSA-N 1 2 458.566 3.701 40 0 JHABLO CC[C@@H](c1nnnn1Cc1ccco1)[N@@H+](Cc1cc2cc(C)ccc2[nH]c1=O)C[C@@H]1CCCO1 ZINC000013495482 555407563 /nfs/dbraw/zinc/40/75/63/555407563.db2.gz BWXCIUNLSFTSLX-REWPJTCUSA-N 1 2 462.554 3.597 40 0 JHABLO CC[C@@H](c1nnnn1Cc1ccco1)[N@H+](Cc1cc2cc(C)ccc2[nH]c1=O)C[C@@H]1CCCO1 ZINC000013495482 555407564 /nfs/dbraw/zinc/40/75/64/555407564.db2.gz BWXCIUNLSFTSLX-REWPJTCUSA-N 1 2 462.554 3.597 40 0 JHABLO Cc1ccc2cc(C[N@@H+](C[C@@H]3CCCO3)[C@H](c3nnnn3C(C)(C)C)C(C)C)c(=O)[nH]c2c1 ZINC000013498489 555421180 /nfs/dbraw/zinc/42/11/80/555421180.db2.gz FZMAMIUIEWECLN-UNMCSNQZSA-N 1 2 452.603 3.956 40 0 JHABLO Cc1ccc2cc(C[N@H+](C[C@@H]3CCCO3)[C@H](c3nnnn3C(C)(C)C)C(C)C)c(=O)[nH]c2c1 ZINC000013498489 555421184 /nfs/dbraw/zinc/42/11/84/555421184.db2.gz FZMAMIUIEWECLN-UNMCSNQZSA-N 1 2 452.603 3.956 40 0 JHABLO COCCn1nnnc1[C@H](C(C)C)[N@H+](Cc1cccs1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000013498596 555422538 /nfs/dbraw/zinc/42/25/38/555422538.db2.gz OHCJWESEWDPEAB-QFIPXVFZSA-N 1 2 466.611 3.930 40 0 JHABLO COCCn1nnnc1[C@H](C(C)C)[N@@H+](Cc1cccs1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000013498596 555422541 /nfs/dbraw/zinc/42/25/41/555422541.db2.gz OHCJWESEWDPEAB-QFIPXVFZSA-N 1 2 466.611 3.930 40 0 JHABLO CCC[C@H](c1nnnn1Cc1ccc(OC)cc1)[N@@H+](CCCO)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013501028 555446252 /nfs/dbraw/zinc/44/62/52/555446252.db2.gz VEZIQYSSWCJHRO-RUZDIDTESA-N 1 2 490.608 3.606 40 0 JHABLO CCC[C@H](c1nnnn1Cc1ccc(OC)cc1)[N@H+](CCCO)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013501028 555446249 /nfs/dbraw/zinc/44/62/49/555446249.db2.gz VEZIQYSSWCJHRO-RUZDIDTESA-N 1 2 490.608 3.606 40 0 JHABLO Cn1c(SCc2ccccc2)nnc1[C@H]1CCC[N@H+](CC(=O)Nc2ccc3c(c2)OCO3)C1 ZINC000013565150 555501295 /nfs/dbraw/zinc/50/12/95/555501295.db2.gz ZCMWQHWHIUZGFS-SFHVURJKSA-N 1 2 465.579 3.654 40 0 JHABLO Cn1c(SCc2ccccc2)nnc1[C@H]1CCC[N@@H+](CC(=O)Nc2ccc3c(c2)OCO3)C1 ZINC000013565150 555501299 /nfs/dbraw/zinc/50/12/99/555501299.db2.gz ZCMWQHWHIUZGFS-SFHVURJKSA-N 1 2 465.579 3.654 40 0 JHABLO O=C(c1ccccc1)N1CC[NH+](C[C@@H](O)COc2ccc3ccccc3c2Br)CC1 ZINC000019913347 555539106 /nfs/dbraw/zinc/53/91/06/555539106.db2.gz BZTWSIFQUFCPJG-HXUWFJFHSA-N 1 2 469.379 3.800 40 0 JHABLO CCOc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C(C)(C)C)[N@@H+]3CCc4ccccc4C3)cc2c1 ZINC000019973300 555575553 /nfs/dbraw/zinc/57/55/53/555575553.db2.gz DQCWKRIKCPQEMA-QHCPKHFHSA-N 1 2 458.566 3.816 40 0 JHABLO CCOc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C(C)(C)C)[N@H+]3CCc4ccccc4C3)cc2c1 ZINC000019973300 555575557 /nfs/dbraw/zinc/57/55/57/555575557.db2.gz DQCWKRIKCPQEMA-QHCPKHFHSA-N 1 2 458.566 3.816 40 0 JHABLO CS(=O)(=O)N(CC(=O)NCc1ccccc1-n1cc[nH+]c1)c1cc(Cl)c(Cl)cc1Cl ZINC000020048655 555618435 /nfs/dbraw/zinc/61/84/35/555618435.db2.gz XJEXPEYMUHKMDS-UHFFFAOYSA-N 1 2 487.796 3.915 40 0 JHABLO CCC[C@]1(C(=O)OCC)[NH2+][C@@H](c2cccs2)[C@H]2C(=O)N(c3ccc(OCC)cc3)C(=O)[C@H]21 ZINC000020150697 555666958 /nfs/dbraw/zinc/66/69/58/555666958.db2.gz IGDYNVPJCWRFIT-XHOYROJHSA-N 1 2 456.564 3.699 40 0 JHABLO CCC[C@]1(C(=O)OCC)[NH2+][C@H](c2cccs2)[C@H]2C(=O)N(c3cccc(C(C)=O)c3)C(=O)[C@@H]21 ZINC000020150789 555667402 /nfs/dbraw/zinc/66/74/02/555667402.db2.gz KEUXWOYRIDJUSH-SMOZNVCYSA-N 1 2 454.548 3.503 40 0 JHABLO O=C1C[C@@H](c2cc(F)cc(F)c2)Cc2nc(N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)ncc21 ZINC000020555727 555807817 /nfs/dbraw/zinc/80/78/17/555807817.db2.gz OOEHJLCAADLZOG-SFHVURJKSA-N 1 2 478.499 3.718 40 0 JHABLO COC(=O)[C@@H]1Cc2[nH+]cn(Cc3ccc(Cl)cc3)c2CN1Cc1ccc(NC(C)=O)cc1 ZINC000015707057 555952929 /nfs/dbraw/zinc/95/29/29/555952929.db2.gz QAENAKJESJZWPN-QFIPXVFZSA-N 1 2 452.942 3.643 40 0 biogenic,in-vitro JHABLO Cc1ccc([C@H](c2nnnn2CCc2ccccc2)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)cc1 ZINC000022929888 555982809 /nfs/dbraw/zinc/98/28/09/555982809.db2.gz RZXWPXHEARHCTK-MUUNZHRXSA-N 1 2 496.615 3.860 40 0 JHABLO Cc1ccc([C@@H](c2nnnn2CCc2ccccc2)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)cc1 ZINC000022929890 555982885 /nfs/dbraw/zinc/98/28/85/555982885.db2.gz RZXWPXHEARHCTK-NDEPHWFRSA-N 1 2 496.615 3.860 40 0 JHABLO CC[C@H](c1nnnn1C1CCCC1)N(CC[NH+]1CCOCC1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000019500583 556349627 /nfs/dbraw/zinc/34/96/27/556349627.db2.gz YMBYAHHLEBENBL-RUZDIDTESA-N 1 2 493.656 3.532 40 0 JHABLO Cc1ccc2cc(CN(CC[NH+]3CCOCC3)C(=S)N[C@H](C)c3ccccc3)c(=O)[nH]c2c1C ZINC000019823429 556393863 /nfs/dbraw/zinc/39/38/63/556393863.db2.gz XVNFJTNFGCLFTO-OAQYLSRUSA-N 1 2 478.662 3.915 40 0 JHABLO CC[C@H](c1nnnn1Cc1ccccc1)[N@@H+](Cc1cc2cc(OC)ccc2[nH]c1=O)C[C@@H]1CCCO1 ZINC000008582643 562939797 /nfs/dbraw/zinc/93/97/97/562939797.db2.gz GGNAEMSQXQYFTF-UKILVPOCSA-N 1 2 488.592 3.704 40 0 JHABLO CC[C@H](c1nnnn1Cc1ccccc1)[N@H+](Cc1cc2cc(OC)ccc2[nH]c1=O)C[C@@H]1CCCO1 ZINC000008582643 562939798 /nfs/dbraw/zinc/93/97/98/562939798.db2.gz GGNAEMSQXQYFTF-UKILVPOCSA-N 1 2 488.592 3.704 40 0 JHABLO CC[C@@H](c1nnnn1Cc1ccccc1)[N@@H+](Cc1cc2cc(OC)ccc2[nH]c1=O)C[C@@H]1CCCO1 ZINC000008586254 562940908 /nfs/dbraw/zinc/94/09/08/562940908.db2.gz GGNAEMSQXQYFTF-ZCYQVOJMSA-N 1 2 488.592 3.704 40 0 JHABLO CC[C@@H](c1nnnn1Cc1ccccc1)[N@H+](Cc1cc2cc(OC)ccc2[nH]c1=O)C[C@@H]1CCCO1 ZINC000008586254 562940910 /nfs/dbraw/zinc/94/09/10/562940910.db2.gz GGNAEMSQXQYFTF-ZCYQVOJMSA-N 1 2 488.592 3.704 40 0 JHABLO COc1cc2cc([C@@H](c3nnnn3Cc3ccc(F)cc3)[NH+]3CCCCCC3)c(=O)[nH]c2cc1OC ZINC000008586289 562940938 /nfs/dbraw/zinc/94/09/38/562940938.db2.gz CLUIEZZJGGDIBJ-DEOSSOPVSA-N 1 2 492.555 3.685 40 0 JHABLO CCOC(=O)Cn1nnnc1[C@H](C(C)C)[N@H+](Cc1cccs1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000008677394 562950639 /nfs/dbraw/zinc/95/06/39/562950639.db2.gz QMOHXGDBUVALDH-QHCPKHFHSA-N 1 2 494.621 3.847 40 0 JHABLO CCOC(=O)Cn1nnnc1[C@H](C(C)C)[N@@H+](Cc1cccs1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000008677394 562950640 /nfs/dbraw/zinc/95/06/40/562950640.db2.gz QMOHXGDBUVALDH-QHCPKHFHSA-N 1 2 494.621 3.847 40 0 JHABLO CC[C@H](c1nnnn1C[C@H]1CCCO1)[N@H+](Cc1ccccc1)Cc1cc2ccc(OC)cc2[nH]c1=O ZINC000033937002 569638445 /nfs/dbraw/zinc/63/84/45/569638445.db2.gz WVEBPGZATIOCBN-ILBGXUMGSA-N 1 2 488.592 3.856 40 0 JHABLO CC[C@H](c1nnnn1C[C@H]1CCCO1)[N@@H+](Cc1ccccc1)Cc1cc2ccc(OC)cc2[nH]c1=O ZINC000033937002 569638446 /nfs/dbraw/zinc/63/84/46/569638446.db2.gz WVEBPGZATIOCBN-ILBGXUMGSA-N 1 2 488.592 3.856 40 0 JHABLO CCOc1ccc2[nH]c(=O)c(C[N@H+](C[C@@H]3CCCO3)[C@H](CC)c3nnnn3C(C)(C)C)cc2c1 ZINC000095202044 569722216 /nfs/dbraw/zinc/72/22/16/569722216.db2.gz HUANAKOPAVLNJY-RBBKRZOGSA-N 1 2 468.602 3.801 40 0 JHABLO CCOc1ccc2[nH]c(=O)c(C[N@@H+](C[C@@H]3CCCO3)[C@H](CC)c3nnnn3C(C)(C)C)cc2c1 ZINC000095202044 569722217 /nfs/dbraw/zinc/72/22/17/569722217.db2.gz HUANAKOPAVLNJY-RBBKRZOGSA-N 1 2 468.602 3.801 40 0 JHABLO O=C1Nc2c(cccc2C(F)(F)F)[C@]12[C@@H]1C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]1[C@H]1CCC[N@@H+]12 ZINC000100210163 569755409 /nfs/dbraw/zinc/75/54/09/569755409.db2.gz JACTYZJSKFLAHC-FSNCLGKMSA-N 1 2 475.854 3.790 40 0 JHABLO O=C1Nc2c(cccc2C(F)(F)F)[C@]12[C@@H]1C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]1[C@H]1CCC[N@H+]12 ZINC000100210163 569755411 /nfs/dbraw/zinc/75/54/11/569755411.db2.gz JACTYZJSKFLAHC-FSNCLGKMSA-N 1 2 475.854 3.790 40 0 JHABLO C[NH+]1CCN(C(=O)c2nn3c(c2Br)N[C@H](c2ccccc2)C[C@H]3C(F)(F)F)CC1 ZINC000038177091 569799915 /nfs/dbraw/zinc/79/99/15/569799915.db2.gz WATDLIQOTMANPR-KBPBESRZSA-N 1 2 472.309 3.694 40 0 JHABLO COCc1nn2c(nnc(C(=O)N3CC[NH+](Cc4ccccc4)CC3)c2C)c1-c1ccc(Cl)cc1 ZINC000039963913 569812534 /nfs/dbraw/zinc/81/25/34/569812534.db2.gz UDGWAQRSWGQVNX-UHFFFAOYSA-N 1 2 490.995 3.858 40 0 JHABLO Fc1ccc(-c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3CC[NH+]3CCOCC3)o2)cc1 ZINC000223156786 569901402 /nfs/dbraw/zinc/90/14/02/569901402.db2.gz HEGJZKUCRIBNKM-PKTZIBPZSA-N 1 2 452.555 3.785 40 0 JHABLO S=C1N[C@@H](c2ccccn2)[C@@H](c2cc(Br)cs2)N1CCC[NH+]1CCOCC1 ZINC000223168853 569901847 /nfs/dbraw/zinc/90/18/47/569901847.db2.gz RCBNAIZYYSNEEB-ZWKOTPCHSA-N 1 2 467.458 3.600 40 0 JHABLO CCOc1ccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC[NH+]2CCOCC2)cc1 ZINC000223196507 569903051 /nfs/dbraw/zinc/90/30/51/569903051.db2.gz MQHYCWGFXQSEHD-FTJBHMTQSA-N 1 2 491.661 3.966 40 0 JHABLO Cc1cc(C)c([C@@H](C)NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CC[NH+](C)CC3)c2)cc1C ZINC000223477968 569912646 /nfs/dbraw/zinc/91/26/46/569912646.db2.gz RLZFPKOHWOZBTP-GOSISDBHSA-N 1 2 464.031 3.692 40 0 JHABLO CCOc1ccc(-c2cnc(CCC(=O)N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)o2)cc1 ZINC000224861384 569960560 /nfs/dbraw/zinc/96/05/60/569960560.db2.gz WKQWTEGVMLIRNZ-UHFFFAOYSA-N 1 2 463.534 3.746 40 0 JHABLO O=C([C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000408597754 569967678 /nfs/dbraw/zinc/96/76/78/569967678.db2.gz XXQVXLRQGLQQBE-OIHWHRODSA-N 1 2 488.053 3.598 40 0 JHABLO COc1ccc(C)cc1S(=O)(=O)N(CC(=O)NCCCn1cc[nH+]c1)c1ccc(C)c(Cl)c1 ZINC000408618765 569976909 /nfs/dbraw/zinc/97/69/09/569976909.db2.gz FQWPAOHKIPBGAG-UHFFFAOYSA-N 1 2 491.013 3.564 40 0 JHABLO CCC[C@]1(C(=O)OCC)[NH2+][C@H](c2ccccc2C)[C@@H]2C(=O)N(c3cccc(C(C)=O)c3)C(=O)[C@@H]21 ZINC000231644251 570046843 /nfs/dbraw/zinc/04/68/43/570046843.db2.gz PJMDWFBVLPZOAQ-ANAFOTAVSA-N 1 2 462.546 3.750 40 0 JHABLO Cc1cccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(C[NH+]4CCOCC4)cc3)cc2)c1 ZINC000408924980 570078181 /nfs/dbraw/zinc/07/81/81/570078181.db2.gz QZEXRNURBKILCC-UHFFFAOYSA-N 1 2 465.575 3.880 40 0 JHABLO O=C(C[C@@H]1CCN2C[C@@H]1/C=C\COc1ccccc1C[N@H+](Cc1ccccc1)CC2=O)NC1CC1 ZINC000253399752 570096413 /nfs/dbraw/zinc/09/64/13/570096413.db2.gz JWVAYLXIWKBIFN-HFZOJUHISA-N 1 2 473.617 3.771 40 0 JHABLO O=C(C[C@@H]1CCN2C[C@@H]1/C=C\COc1ccccc1C[N@@H+](Cc1ccccc1)CC2=O)NC1CC1 ZINC000253399752 570096414 /nfs/dbraw/zinc/09/64/14/570096414.db2.gz JWVAYLXIWKBIFN-HFZOJUHISA-N 1 2 473.617 3.771 40 0 JHABLO CC(C)[C@H](c1nnnn1C(C)(C)C)[N@@H+](Cc1cc2cc3c(cc2[nH]c1=O)OCO3)C[C@H]1CCCO1 ZINC000253500503 570102066 /nfs/dbraw/zinc/10/20/66/570102066.db2.gz RZTHVDNSDWKQBT-XMSQKQJNSA-N 1 2 482.585 3.789 40 0 JHABLO CC(C)[C@H](c1nnnn1C(C)(C)C)[N@H+](Cc1cc2cc3c(cc2[nH]c1=O)OCO3)C[C@H]1CCCO1 ZINC000253500503 570102067 /nfs/dbraw/zinc/10/20/67/570102067.db2.gz RZTHVDNSDWKQBT-XMSQKQJNSA-N 1 2 482.585 3.789 40 0 JHABLO COc1ccccc1Oc1nccnc1C1CCN(C(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)CC1 ZINC000257229144 570116854 /nfs/dbraw/zinc/11/68/54/570116854.db2.gz FWVJGVVSQIJRSI-NRFANRHFSA-N 1 2 466.582 3.627 40 0 JHABLO COc1ccccc1Oc1nccnc1C1CCN(C(=O)[C@@H]2COCC[N@H+]2C2CCCC2)CC1 ZINC000257229144 570116855 /nfs/dbraw/zinc/11/68/55/570116855.db2.gz FWVJGVVSQIJRSI-NRFANRHFSA-N 1 2 466.582 3.627 40 0 JHABLO Cc1ccc(C(=O)N2CCOC[C@H](Cc3ccc4[nH+]ccn4c3)C2)cc1NCc1ccncc1 ZINC000257234559 570118422 /nfs/dbraw/zinc/11/84/22/570118422.db2.gz GUDFHGXSODFBNU-HSZRJFAPSA-N 1 2 455.562 3.981 40 0 JHABLO CC(=O)Nc1ccc(NC(=O)C[N@@H+]2CCOC[C@H](Cc3ccc4ccncc4c3)C2)c(Cl)c1 ZINC000257253770 570124325 /nfs/dbraw/zinc/12/43/25/570124325.db2.gz KAFXZEJFQFDWIA-LJQANCHMSA-N 1 2 466.969 3.976 40 0 JHABLO CC(=O)Nc1ccc(NC(=O)C[N@H+]2CCOC[C@H](Cc3ccc4ccncc4c3)C2)c(Cl)c1 ZINC000257253770 570124327 /nfs/dbraw/zinc/12/43/27/570124327.db2.gz KAFXZEJFQFDWIA-LJQANCHMSA-N 1 2 466.969 3.976 40 0 JHABLO Cc1cc(N2CC[C@](O)(CN(C)C(=O)c3ccc4[nH]c(C(C)C)nc4c3)C2)c2cnccc2[nH+]1 ZINC000257267593 570128813 /nfs/dbraw/zinc/12/88/13/570128813.db2.gz MHZJQGAYGACHSZ-SANMLTNESA-N 1 2 458.566 3.651 40 0 JHABLO COc1ccc([C@H]2CN(C(=O)C3(Cc4ccccc4F)CCN(C(C)=O)CC3)CC[N@@H+]2C)cc1 ZINC000257303904 570139618 /nfs/dbraw/zinc/13/96/18/570139618.db2.gz SJGITDSBLLUREX-RUZDIDTESA-N 1 2 467.585 3.521 40 0 JHABLO COc1ccc([C@H]2CN(C(=O)C3(Cc4ccccc4F)CCN(C(C)=O)CC3)CC[N@H+]2C)cc1 ZINC000257303904 570139619 /nfs/dbraw/zinc/13/96/19/570139619.db2.gz SJGITDSBLLUREX-RUZDIDTESA-N 1 2 467.585 3.521 40 0 JHABLO CC(=O)Nc1ccc2nc(NC(=O)C[N@@H+]3C[C@H](OCc4ccccc4)[C@]4(CCCO4)C3)sc2c1 ZINC000257338976 570150080 /nfs/dbraw/zinc/15/00/80/570150080.db2.gz YZRQBCNSRCAGKD-DHLKQENFSA-N 1 2 480.590 3.643 40 0 JHABLO CC(=O)Nc1ccc2nc(NC(=O)C[N@H+]3C[C@H](OCc4ccccc4)[C@]4(CCCO4)C3)sc2c1 ZINC000257338976 570150082 /nfs/dbraw/zinc/15/00/82/570150082.db2.gz YZRQBCNSRCAGKD-DHLKQENFSA-N 1 2 480.590 3.643 40 0 JHABLO CCCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@@H]2c1cccc(OC)c1OC ZINC000261362512 570167770 /nfs/dbraw/zinc/16/77/70/570167770.db2.gz DOHHZMYQGKYOCU-QHCPKHFHSA-O 1 2 467.571 3.960 40 0 JHABLO CCOc1ccc(Br)cc1[C@H]1N(C(C)=O)c2ccccc2-c2c(=O)[nH]c(SC)n[n+]21 ZINC000261363715 570168299 /nfs/dbraw/zinc/16/82/99/570168299.db2.gz HUKYVHLROKNLSO-FQEVSTJZSA-O 1 2 488.387 3.933 40 0 JHABLO CCC(=O)N1c2ccccc2-c2c(=O)[nH]c(SC)n[n+]2[C@@H]1c1cc2c(cc1Cl)OCO2 ZINC000261365539 570169050 /nfs/dbraw/zinc/16/90/50/570169050.db2.gz SZSBFFDWJAFEJN-HXUWFJFHSA-O 1 2 457.919 3.544 40 0 JHABLO CC(C)[C@H](CO)Nc1nc(NCCc2ccccn2)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000328965274 570179668 /nfs/dbraw/zinc/17/96/68/570179668.db2.gz CCKYSRKCRBVDNP-FQEVSTJZSA-N 1 2 461.488 4.521 40 0 JHABLO OCCNc1nc(NCc2cccc(Br)c2)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000328980004 570180426 /nfs/dbraw/zinc/18/04/26/570180426.db2.gz GKFJSDRHNYCUAT-UHFFFAOYSA-N 1 2 483.288 3.665 40 0 JHABLO CCOC(=O)Cn1nnnc1[C@@H](CC)[N@H+](Cc1cccs1)Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000001375467 194110264 /nfs/dbraw/zinc/11/02/64/194110264.db2.gz GMXKHTCEUDFRHF-OAQYLSRUSA-N 1 2 494.621 3.910 40 0 JHABLO CCOC(=O)Cn1nnnc1[C@@H](CC)[N@@H+](Cc1cccs1)Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000001375467 194110266 /nfs/dbraw/zinc/11/02/66/194110266.db2.gz GMXKHTCEUDFRHF-OAQYLSRUSA-N 1 2 494.621 3.910 40 0 JHABLO COc1ccc(Cn2nnnc2[C@@H](c2cc3cccc(C)c3[nH]c2=O)[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000012711516 195095270 /nfs/dbraw/zinc/09/52/70/195095270.db2.gz IVUFSLUNXILSPM-MZNJEOGPSA-N 1 2 458.566 3.701 40 0 JHABLO COc1ccc(Cn2nnnc2[C@@H](c2cc3cccc(C)c3[nH]c2=O)[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000012711516 195095273 /nfs/dbraw/zinc/09/52/73/195095273.db2.gz IVUFSLUNXILSPM-MZNJEOGPSA-N 1 2 458.566 3.701 40 0 JHABLO CC[C@@H](c1nnnn1CCOC)[N@H+](Cc1ccc(OC)cc1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000057640847 195354807 /nfs/dbraw/zinc/35/48/07/195354807.db2.gz VNMALYLUAYMSHJ-DEOSSOPVSA-N 1 2 476.581 3.632 40 0 JHABLO CC[C@@H](c1nnnn1CCOC)[N@@H+](Cc1ccc(OC)cc1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000057640847 195354809 /nfs/dbraw/zinc/35/48/09/195354809.db2.gz VNMALYLUAYMSHJ-DEOSSOPVSA-N 1 2 476.581 3.632 40 0 JHABLO CC[C@H](c1nnnn1CCOC)[N@H+](Cc1ccccc1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000057641604 195355656 /nfs/dbraw/zinc/35/56/56/195355656.db2.gz LGHSOCFEPNYGJQ-XMMPIXPASA-N 1 2 460.582 3.931 40 0 JHABLO CC[C@H](c1nnnn1CCOC)[N@@H+](Cc1ccccc1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000057641604 195355657 /nfs/dbraw/zinc/35/56/57/195355657.db2.gz LGHSOCFEPNYGJQ-XMMPIXPASA-N 1 2 460.582 3.931 40 0 JHABLO Cc1cccc(C)c1-n1nnnc1[C@@H](c1cccnc1)[N@H+]1[C@@H]2CC[C@H]1CC(O)(c1ccco1)C2 ZINC000057721753 195358484 /nfs/dbraw/zinc/35/84/84/195358484.db2.gz ZHEJYVKOVUCCHT-UOSLRKETSA-N 1 2 456.550 3.871 40 0 JHABLO Cc1cccc(C)c1-n1nnnc1[C@@H](c1cccnc1)[N@@H+]1[C@@H]2CC[C@H]1CC(O)(c1ccco1)C2 ZINC000057721753 195358487 /nfs/dbraw/zinc/35/84/87/195358487.db2.gz ZHEJYVKOVUCCHT-UOSLRKETSA-N 1 2 456.550 3.871 40 0 JHABLO COc1ncccc1C[NH+](Cc1cccnc1OC)C[C@H]1COCc2nc3ccc(C)cc3n21 ZINC000096112410 129959350 /nfs/dbraw/zinc/95/93/50/129959350.db2.gz JGTSVMNAJRXPQW-NRFANRHFSA-N 1 2 459.550 3.926 40 0 biogenic,in-vitro JHABLO CCOc1ccc2[nH]c(=O)c([C@@H](c3nnnn3Cc3ccccc3)[N@@H+]3CCC[C@@H](C)C3)cc2c1 ZINC000012466193 521282882 /nfs/dbraw/zinc/28/28/82/521282882.db2.gz JGWYDEYGIZZFEH-KOSHJBKYSA-N 1 2 458.566 3.783 40 0 JHABLO CCOc1ccc2[nH]c(=O)c([C@@H](c3nnnn3Cc3ccccc3)[N@H+]3CCC[C@@H](C)C3)cc2c1 ZINC000012466193 521282889 /nfs/dbraw/zinc/28/28/89/521282889.db2.gz JGWYDEYGIZZFEH-KOSHJBKYSA-N 1 2 458.566 3.783 40 0 JHABLO CN(c1ccc(C(=O)NCc2ccccc2-n2cc[nH+]c2)cc1)S(=O)(=O)c1cccs1 ZINC000044901493 523635658 /nfs/dbraw/zinc/63/56/58/523635658.db2.gz XMUDGEWSYIWJOI-UHFFFAOYSA-N 1 2 452.561 3.689 40 0 JHABLO Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3cccc(C[NH+]4CCOCC4)c3)cc2)cc1 ZINC000020489706 525301213 /nfs/dbraw/zinc/30/12/13/525301213.db2.gz QCYYDTXQSCMYBX-UHFFFAOYSA-N 1 2 465.575 3.880 40 0 JHABLO O=C(c1ccc(CN2CCc3ccccc32)cc1)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000020454295 526668872 /nfs/dbraw/zinc/66/88/72/526668872.db2.gz NWSCBJGYUJBTMT-UHFFFAOYSA-N 1 2 455.558 3.936 40 0 JHABLO Cc1[nH+]ccn1-c1ccc(CNC(=O)c2ccc(NS(=O)(=O)c3cccs3)cc2)cc1 ZINC000020460613 527373323 /nfs/dbraw/zinc/37/33/23/527373323.db2.gz WQULNFRGWRAXJY-UHFFFAOYSA-N 1 2 452.561 3.973 40 0 JHABLO Cc1ccc(NC(=S)N(CC[NH+]2CCOCC2)Cc2cc3c(C)ccc(C)c3[nH]c2=O)cc1 ZINC000000878493 553814288 /nfs/dbraw/zinc/81/42/88/553814288.db2.gz QRHINWHWLKLHQJ-UHFFFAOYSA-N 1 2 464.635 3.985 40 0 JHABLO CCOc1ccc(NC(=S)N(CC[NH+]2CCOCC2)Cc2cc3cc(C)ccc3[nH]c2=O)cc1 ZINC000000883299 553820020 /nfs/dbraw/zinc/82/00/20/553820020.db2.gz CJJIDIKSOAECQP-UHFFFAOYSA-N 1 2 480.634 3.766 40 0 JHABLO Cc1cccc(NC(=S)N(CC[NH+]2CCOCC2)Cc2cc3cc(C)ccc3[nH]c2=O)c1 ZINC000000884856 553823287 /nfs/dbraw/zinc/82/32/87/553823287.db2.gz AHWBETVEKMXMPN-UHFFFAOYSA-N 1 2 450.608 3.676 40 0 JHABLO COc1ccc2cc(C[N@H+](CCc3ccccc3)Cc3nnnn3Cc3ccccc3)c(=O)[nH]c2c1 ZINC000000927639 553864596 /nfs/dbraw/zinc/86/45/96/553864596.db2.gz HXLOSJPFQUBGRN-UHFFFAOYSA-N 1 2 480.572 3.816 40 0 JHABLO COc1ccc2cc(C[N@@H+](CCc3ccccc3)Cc3nnnn3Cc3ccccc3)c(=O)[nH]c2c1 ZINC000000927639 553864599 /nfs/dbraw/zinc/86/45/99/553864599.db2.gz HXLOSJPFQUBGRN-UHFFFAOYSA-N 1 2 480.572 3.816 40 0 JHABLO Cc1cc2cc(CN(CC[NH+]3CCOCC3)C(=S)NC3CCCCC3)c(=O)[nH]c2cc1Cl ZINC000000931591 553869913 /nfs/dbraw/zinc/86/99/13/553869913.db2.gz BITJNBRVTUTTNX-UHFFFAOYSA-N 1 2 477.074 3.831 40 0 JHABLO CC[N@H+](Cc1ccccc1)[C@H](c1nnnn1C[C@H]1CCCO1)c1cc2c(C)cc(C)cc2[nH]c1=O ZINC000001224968 553935696 /nfs/dbraw/zinc/93/56/96/553935696.db2.gz BJVLHQYCDIPNCW-BWKNWUBXSA-N 1 2 472.593 3.922 40 0 JHABLO CC[N@@H+](Cc1ccccc1)[C@H](c1nnnn1C[C@H]1CCCO1)c1cc2c(C)cc(C)cc2[nH]c1=O ZINC000001224968 553935699 /nfs/dbraw/zinc/93/56/99/553935699.db2.gz BJVLHQYCDIPNCW-BWKNWUBXSA-N 1 2 472.593 3.922 40 0 JHABLO CCOc1ccc2[nH]c(=O)c([C@H](c3nnnn3Cc3ccccc3)[NH+]3CCCCCC3)cc2c1 ZINC000006197039 554519230 /nfs/dbraw/zinc/51/92/30/554519230.db2.gz KPTNLVGHQRVLJM-XMMPIXPASA-N 1 2 458.566 3.927 40 0 JHABLO COc1ccc2cc([C@@H](c3nnnn3Cc3ccc(F)cc3)[N@@H+]3CCC[C@@H](C)C3)c(=O)[nH]c2c1 ZINC000006283171 554526277 /nfs/dbraw/zinc/52/62/77/554526277.db2.gz GZWWWFOMGJAHBW-MWTRTKDXSA-N 1 2 462.529 3.532 40 0 JHABLO COc1ccc2cc([C@@H](c3nnnn3Cc3ccc(F)cc3)[N@H+]3CCC[C@@H](C)C3)c(=O)[nH]c2c1 ZINC000006283171 554526280 /nfs/dbraw/zinc/52/62/80/554526280.db2.gz GZWWWFOMGJAHBW-MWTRTKDXSA-N 1 2 462.529 3.532 40 0 JHABLO O=c1[nH]c2cc3c(cc2cc1[C@H](c1nnnn1C1CCCCC1)[NH+]1CCCCCC1)OCO3 ZINC000006445224 554539699 /nfs/dbraw/zinc/53/96/99/554539699.db2.gz RRLBKDYNDGSMAO-JOCHJYFZSA-N 1 2 450.543 3.714 40 0 JHABLO COCCn1nnnc1[C@H](C(C)C)[N@H+](Cc1ccccc1)Cc1cc2ccc(OC)cc2[nH]c1=O ZINC000013498771 555424700 /nfs/dbraw/zinc/42/47/00/555424700.db2.gz COHRGPNKXVYXHP-DEOSSOPVSA-N 1 2 476.581 3.569 40 0 JHABLO COCCn1nnnc1[C@H](C(C)C)[N@@H+](Cc1ccccc1)Cc1cc2ccc(OC)cc2[nH]c1=O ZINC000013498771 555424702 /nfs/dbraw/zinc/42/47/02/555424702.db2.gz COHRGPNKXVYXHP-DEOSSOPVSA-N 1 2 476.581 3.569 40 0 JHABLO Cc1cc(C)c2[nH]c(=O)c(C[N@@H+](CCCO)[C@H](c3nnnn3C3CCCC3)C(C)C)cc2c1 ZINC000013500565 555441466 /nfs/dbraw/zinc/44/14/66/555441466.db2.gz XCDNVSYABDGBTC-QHCPKHFHSA-N 1 2 452.603 3.828 40 0 JHABLO Cc1cc(C)c2[nH]c(=O)c(C[N@H+](CCCO)[C@H](c3nnnn3C3CCCC3)C(C)C)cc2c1 ZINC000013500565 555441468 /nfs/dbraw/zinc/44/14/68/555441468.db2.gz XCDNVSYABDGBTC-QHCPKHFHSA-N 1 2 452.603 3.828 40 0 JHABLO Cc1ccc2[nH]c(=O)c(C[N@@H+](CCCO)[C@@H](c3nnnn3CCc3ccccc3)C(C)C)cc2c1 ZINC000013500560 555441506 /nfs/dbraw/zinc/44/15/06/555441506.db2.gz BOCZOZUOVKTDEC-RUZDIDTESA-N 1 2 474.609 3.647 40 0 JHABLO Cc1ccc2[nH]c(=O)c(C[N@H+](CCCO)[C@@H](c3nnnn3CCc3ccccc3)C(C)C)cc2c1 ZINC000013500560 555441507 /nfs/dbraw/zinc/44/15/07/555441507.db2.gz BOCZOZUOVKTDEC-RUZDIDTESA-N 1 2 474.609 3.647 40 0 JHABLO CCC[C@@H](c1nnnn1CC(=O)OCC)[N@H+](Cc1ccccc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013500785 555443997 /nfs/dbraw/zinc/44/39/97/555443997.db2.gz DGKHTRMTYQLVBB-QHCPKHFHSA-N 1 2 488.592 3.930 40 0 JHABLO CCC[C@@H](c1nnnn1CC(=O)OCC)[N@@H+](Cc1ccccc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013500785 555444000 /nfs/dbraw/zinc/44/40/00/555444000.db2.gz DGKHTRMTYQLVBB-QHCPKHFHSA-N 1 2 488.592 3.930 40 0 JHABLO CCC[C@H](c1nnnn1CC(=O)OCC)[N@H+](Cc1ccccc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013500782 555444028 /nfs/dbraw/zinc/44/40/28/555444028.db2.gz ULCYMRRPFJVIQA-XMMPIXPASA-N 1 2 488.592 3.930 40 0 JHABLO CCC[C@H](c1nnnn1CC(=O)OCC)[N@@H+](Cc1ccccc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013500782 555444030 /nfs/dbraw/zinc/44/40/30/555444030.db2.gz ULCYMRRPFJVIQA-XMMPIXPASA-N 1 2 488.592 3.930 40 0 JHABLO COc1ccc(CCn2nnnc2[C@@H](CC(C)C)[NH+]2CCN(c3ccccc3)CC2)cc1OC ZINC000013505575 555467355 /nfs/dbraw/zinc/46/73/55/555467355.db2.gz JHXOWDTUGCPNKU-HSZRJFAPSA-N 1 2 464.614 3.842 40 0 JHABLO O=C(NCc1ccccc1-n1cc[nH+]c1)C1CCN(S(=O)(=O)Cc2c(F)cccc2Cl)CC1 ZINC000019931370 555548879 /nfs/dbraw/zinc/54/88/79/555548879.db2.gz QSAAZWYELGYWPJ-UHFFFAOYSA-N 1 2 490.988 3.523 40 0 JHABLO CCc1ccc2[nH]c(=O)c(C[N@H+](CCc3ccccc3)Cc3nnnn3C[C@@H]3CCCO3)cc2c1 ZINC000020081573 555630222 /nfs/dbraw/zinc/63/02/22/555630222.db2.gz KWJKCILFMNRKMT-DEOSSOPVSA-N 1 2 472.593 3.501 40 0 JHABLO CCc1ccc2[nH]c(=O)c(C[N@@H+](CCc3ccccc3)Cc3nnnn3C[C@@H]3CCCO3)cc2c1 ZINC000020081573 555630226 /nfs/dbraw/zinc/63/02/26/555630226.db2.gz KWJKCILFMNRKMT-DEOSSOPVSA-N 1 2 472.593 3.501 40 0 JHABLO CS(=O)(=O)N(Cc1ccccc1)c1ccccc1C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000020108698 555643816 /nfs/dbraw/zinc/64/38/16/555643816.db2.gz WNHQYLOVKCXZJZ-UHFFFAOYSA-N 1 2 460.559 3.769 40 0 JHABLO COC(=O)[C@@H]1Cc2[nH+]cn(Cc3ccc(OC)cc3)c2CN1C(=O)c1ccc(C(F)(F)F)cc1 ZINC000015676428 555937514 /nfs/dbraw/zinc/93/75/14/555937514.db2.gz KLVXQNRHRPXBMQ-FQEVSTJZSA-N 1 2 473.451 3.699 40 0 biogenic,in-vitro JHABLO COc1ccccc1C[NH+]1CCN([C@@H](c2nnnn2Cc2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000022929293 555981198 /nfs/dbraw/zinc/98/11/98/555981198.db2.gz QEJJYAJLPMDIFD-AREMUKBSSA-N 1 2 490.558 3.915 40 0 JHABLO CC[C@H](c1nnnn1C(C)(C)CC)N(CC[NH+]1CCOCC1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000019500577 556349648 /nfs/dbraw/zinc/34/96/48/556349648.db2.gz VRCUYNJQIHJTOR-XMMPIXPASA-N 1 2 495.672 3.562 40 0 JHABLO Cc1cc(C)c2cc(CN(CC[NH+]3CCOCC3)C(=S)N[C@@H](C)c3ccccc3)c(=O)[nH]c2c1 ZINC000019823589 556394141 /nfs/dbraw/zinc/39/41/41/556394141.db2.gz IIILPUNBSAWPIP-NRFANRHFSA-N 1 2 478.662 3.915 40 0 JHABLO Cc1ccc(NC(=O)CSC2=[NH+][C@H]3CS(=O)(=O)C[C@H]3N2Cc2ccc(Cl)cc2)c(C)c1 ZINC000032639972 556459426 /nfs/dbraw/zinc/45/94/26/556459426.db2.gz OOPMMZWIKHMVGO-VQTJNVASSA-N 1 2 478.039 3.666 40 0 JHABLO COc1cc2cc([C@H](c3nnnn3C3CCCC3)[NH+]3CCCCCC3)c(=O)[nH]c2cc1OC ZINC000008624119 562948352 /nfs/dbraw/zinc/94/83/52/562948352.db2.gz SCEMVFGLXPSCIH-JOCHJYFZSA-N 1 2 452.559 3.612 40 0 JHABLO Cc1[nH+]c2ccccc2n1CC(=O)N(CC(=O)NCc1ccc2c(c1)OCO2)c1ccc(F)cc1 ZINC000035312493 569680344 /nfs/dbraw/zinc/68/03/44/569680344.db2.gz XWKIXIHIVHYNGF-UHFFFAOYSA-N 1 2 474.492 3.562 40 0 JHABLO CS(=O)(=O)N(CC(=O)NCc1ccccc1-n1cc[nH+]c1)c1ccc(Oc2ccccc2)cc1 ZINC000216453882 569878912 /nfs/dbraw/zinc/87/89/12/569878912.db2.gz ASBNDVPYTRADMU-UHFFFAOYSA-N 1 2 476.558 3.747 40 0 JHABLO C[C@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CC[NH+](C)CC2)c1)c1ccc2c(c1)CCCC2 ZINC000222983272 569896082 /nfs/dbraw/zinc/89/60/82/569896082.db2.gz QJYWTRRYYKAHEA-KRWDZBQOSA-N 1 2 476.042 3.646 40 0 JHABLO S=C1N[C@H](c2ccccn2)[C@H](c2ccc(Br)s2)N1CCC[NH+]1CCOCC1 ZINC000223168765 569901814 /nfs/dbraw/zinc/90/18/14/569901814.db2.gz BTZFEKUHUVRFOF-MSOLQXFVSA-N 1 2 467.458 3.600 40 0 JHABLO Cc1ccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2CCC[NH+]2CCOCC2)cc1 ZINC000223193935 569902900 /nfs/dbraw/zinc/90/29/00/569902900.db2.gz FSTZDMRLLUFWEF-DQEYMECFSA-N 1 2 461.635 3.876 40 0 JHABLO Fc1cccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC[NH+]2CCOCC2)c1 ZINC000223194789 569902911 /nfs/dbraw/zinc/90/29/11/569902911.db2.gz DTLLLJMWYIRVQU-RPWUZVMVSA-N 1 2 465.598 3.706 40 0 JHABLO COc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)NCc2ccccc2C[NH+]2CCOCC2)cc1 ZINC000223343037 569907999 /nfs/dbraw/zinc/90/79/99/569907999.db2.gz IYVKKOSXPWAZTF-UQQQWYQISA-N 1 2 491.613 3.676 40 0 JHABLO COC(=O)CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc([NH+](C)C)cc1 ZINC000223730690 569921395 /nfs/dbraw/zinc/92/13/95/569921395.db2.gz GSIBUXYLXHWJKB-ZEQRLZLVSA-N 1 2 463.607 3.864 40 0 JHABLO COC(=O)c1c2c(sc1NC(=O)c1ccccc1NS(=O)(=O)c1ccc(C)cc1)C[N@@H+](C)CC2 ZINC000408606547 569971277 /nfs/dbraw/zinc/97/12/77/569971277.db2.gz KQVLYHIKSFEGJS-UHFFFAOYSA-N 1 2 499.614 3.884 40 0 JHABLO COC(=O)c1c2c(sc1NC(=O)c1ccccc1NS(=O)(=O)c1ccc(C)cc1)C[N@H+](C)CC2 ZINC000408606547 569971278 /nfs/dbraw/zinc/97/12/78/569971278.db2.gz KQVLYHIKSFEGJS-UHFFFAOYSA-N 1 2 499.614 3.884 40 0 JHABLO Cc1ccc(S(=O)(=O)N(CC(=O)NCCCn2cc[nH+]c2)c2ccc(C(C)C)cc2)cc1 ZINC000408628667 569981530 /nfs/dbraw/zinc/98/15/30/569981530.db2.gz ZSQXNBRFHRGHMD-UHFFFAOYSA-N 1 2 454.596 3.717 40 0 JHABLO Cc1ccc(NC(=O)CCc2ccc(Cl)c(Cl)c2)cc1S(=O)(=O)N1CC[NH+](C)CC1 ZINC000225338557 569991324 /nfs/dbraw/zinc/99/13/24/569991324.db2.gz HVDGGZRZLDWWHG-UHFFFAOYSA-N 1 2 470.422 3.809 40 0 JHABLO CCC[C@]1(C(=O)OCC)[NH2+][C@H](c2cccs2)[C@H]2C(=O)N(c3cccc(C(C)=O)c3)C(=O)[C@H]21 ZINC000245230022 570056270 /nfs/dbraw/zinc/05/62/70/570056270.db2.gz KEUXWOYRIDJUSH-KTIHBUSBSA-N 1 2 454.548 3.503 40 0 JHABLO CC[C@H](c1nnnn1C1CCCC1)[N@@H+](Cc1cc2cc3c(cc2[nH]c1=O)OCO3)C[C@H]1CCCO1 ZINC000253500482 570101881 /nfs/dbraw/zinc/10/18/81/570101881.db2.gz QERZYBGWZRVMCH-TZIWHRDSSA-N 1 2 480.569 3.903 40 0 JHABLO CC[C@H](c1nnnn1C1CCCC1)[N@H+](Cc1cc2cc3c(cc2[nH]c1=O)OCO3)C[C@H]1CCCO1 ZINC000253500482 570101883 /nfs/dbraw/zinc/10/18/83/570101883.db2.gz QERZYBGWZRVMCH-TZIWHRDSSA-N 1 2 480.569 3.903 40 0 JHABLO COc1ccc(C)cc1NC(=O)C[NH+]1CCC2(CC1)CN(S(=O)(=O)CC(C)C)CC(C)(C)C2 ZINC000257238326 570119640 /nfs/dbraw/zinc/11/96/40/570119640.db2.gz HKLKEUCWYQXVQN-UHFFFAOYSA-N 1 2 479.687 3.742 40 0 JHABLO COc1ccc(NC(C)=O)c(NC(=O)C[NH+]2CCC([C@]3(C)CCCCN(C(C)C)C3=O)CC2)c1 ZINC000257249868 570123246 /nfs/dbraw/zinc/12/32/46/570123246.db2.gz JKBLNABQSFRHMI-SANMLTNESA-N 1 2 472.630 3.731 40 0 JHABLO O=C(c1ccccc1C[NH+]1CCOCC1)N1CCC[C@@]2(CN(Cc3ccccc3)C(=O)O2)CC1 ZINC000257274782 570131031 /nfs/dbraw/zinc/13/10/31/570131031.db2.gz NMQCQLQXWAIZSJ-MHZLTWQESA-N 1 2 463.578 3.536 40 0 JHABLO CNc1nc([C@@H]2CCCCN2C(=O)CCCn2c(C)[nH+]c3ccccc32)nc2c1CCN(C(C)=O)C2 ZINC000257277767 570132049 /nfs/dbraw/zinc/13/20/49/570132049.db2.gz NZGXDKLRLUZTSJ-DEOSSOPVSA-N 1 2 489.624 3.615 40 0 JHABLO O=C(N1CCOC[C@@H](Cc2ccc3[nH+]ccn3c2)C1)C1(Cc2ccccc2F)CCOCC1 ZINC000257313781 570142685 /nfs/dbraw/zinc/14/26/85/570142685.db2.gz UUCWWCSYUIRZJT-NRFANRHFSA-N 1 2 451.542 3.530 40 0 JHABLO CC(=O)Nc1ccc(NC(=O)C[N@@H+]2CC[C@H]3[C@@H]2CCCC(=O)N3Cc2ccccc2)c(Cl)c1 ZINC000257318155 570143914 /nfs/dbraw/zinc/14/39/14/570143914.db2.gz VMSMLLWXSBFKQY-GOTSBHOMSA-N 1 2 468.985 3.893 40 0 JHABLO CC(=O)Nc1ccc(NC(=O)C[N@H+]2CC[C@H]3[C@@H]2CCCC(=O)N3Cc2ccccc2)c(Cl)c1 ZINC000257318155 570143915 /nfs/dbraw/zinc/14/39/15/570143915.db2.gz VMSMLLWXSBFKQY-GOTSBHOMSA-N 1 2 468.985 3.893 40 0 JHABLO CC(=O)c1ccc(NC(=O)C[N@@H+]2CC[C@H]3O[C@H]4c5cccc(O)c5OC(C)(C)[C@@H]4C[C@@H]32)cc1 ZINC000257327364 570146790 /nfs/dbraw/zinc/14/67/90/570146790.db2.gz XBBRIDJWAYHUHG-ADGBJGEGSA-N 1 2 450.535 3.925 40 0 JHABLO CC(=O)c1ccc(NC(=O)C[N@H+]2CC[C@H]3O[C@H]4c5cccc(O)c5OC(C)(C)[C@@H]4C[C@@H]32)cc1 ZINC000257327364 570146791 /nfs/dbraw/zinc/14/67/91/570146791.db2.gz XBBRIDJWAYHUHG-ADGBJGEGSA-N 1 2 450.535 3.925 40 0 JHABLO O=C(c1ccccc1C[NH+]1CCOCC1)N1CCC2(CO[C@@H](Cc3cccc(F)c3)C2)CC1 ZINC000257344712 570151862 /nfs/dbraw/zinc/15/18/62/570151862.db2.gz ZYJULOIHEBTMGC-DEOSSOPVSA-N 1 2 452.570 3.912 40 0 JHABLO CCC(=O)N1c2ccccc2-c2c(=O)[nH]c(SC)n[n+]2[C@H]1c1ccc(Br)s1 ZINC000261363594 570168143 /nfs/dbraw/zinc/16/81/43/570168143.db2.gz HRRRPZPEQWBCAK-KRWDZBQOSA-O 1 2 464.390 3.986 40 0 JHABLO CCSc1n[n+]2c(c(=O)[nH]1)-c1cc(Br)ccc1N[C@H]2c1ccc(OC)c(O)c1 ZINC000261364353 570168534 /nfs/dbraw/zinc/16/85/34/570168534.db2.gz KXOLGASUFJKXSR-QGZVFWFLSA-O 1 2 462.349 3.698 40 0 JHABLO CCCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@@H]2c1ccc2c(c1)OCO2 ZINC000261365118 570168947 /nfs/dbraw/zinc/16/89/47/570168947.db2.gz QDXWYGWBOHEWAC-QFIPXVFZSA-O 1 2 451.528 3.671 40 0 JHABLO CCC(=O)N1c2ccccc2-c2c(=O)[nH]c(SC)n[n+]2[C@H]1c1cc2c(cc1Cl)OCO2 ZINC000261365538 570169125 /nfs/dbraw/zinc/16/91/25/570169125.db2.gz SZSBFFDWJAFEJN-FQEVSTJZSA-O 1 2 457.919 3.544 40 0 JHABLO C[C@H](CO)Nc1nc(NCc2ccc(Cl)cc2)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000328984887 570180646 /nfs/dbraw/zinc/18/06/46/570180646.db2.gz HPZASFYQMVNIDB-CYBMUJFWSA-N 1 2 452.864 3.944 40 0 JHABLO CCC(C)(C)n1nnnc1[C@H](c1ccc2ncccc2c1)[NH+]1CCN(c2ccc(O)cc2)CC1 ZINC000001328128 194088600 /nfs/dbraw/zinc/08/86/00/194088600.db2.gz ICDKBCHZJUMXBU-DEOSSOPVSA-N 1 2 457.582 3.984 40 0 JHABLO COc1ccc(-n2ncc3c2nc[nH+]c3SCC(=O)Nc2nc3c(s2)CCCC3)cc1 ZINC000001346651 194099050 /nfs/dbraw/zinc/09/90/50/194099050.db2.gz NBIQKYGCOOKDFX-UHFFFAOYSA-N 1 2 452.565 3.890 40 0 JHABLO COc1cc2cc(C[N@H+](CCc3ccccc3)Cc3nnnn3C(C)(C)C)c(=O)[nH]c2cc1OC ZINC000001373604 194107663 /nfs/dbraw/zinc/10/76/63/194107663.db2.gz LQMSZEYORSNTKY-UHFFFAOYSA-N 1 2 476.581 3.532 40 0 JHABLO COc1cc2cc(C[N@@H+](CCc3ccccc3)Cc3nnnn3C(C)(C)C)c(=O)[nH]c2cc1OC ZINC000001373604 194107666 /nfs/dbraw/zinc/10/76/66/194107666.db2.gz LQMSZEYORSNTKY-UHFFFAOYSA-N 1 2 476.581 3.532 40 0 JHABLO CC[C@@H](c1nnnn1C(C)(C)CC)[N@@H+](Cc1cc2cc(OC)ccc2[nH]c1=O)C[C@@H]1CCCO1 ZINC000057640872 195354691 /nfs/dbraw/zinc/35/46/91/195354691.db2.gz OTPUNYOKLNZLCX-UNMCSNQZSA-N 1 2 468.602 3.801 40 0 JHABLO CC[C@@H](c1nnnn1C(C)(C)CC)[N@H+](Cc1cc2cc(OC)ccc2[nH]c1=O)C[C@@H]1CCCO1 ZINC000057640872 195354693 /nfs/dbraw/zinc/35/46/93/195354693.db2.gz OTPUNYOKLNZLCX-UNMCSNQZSA-N 1 2 468.602 3.801 40 0 JHABLO CC[C@H](c1nnnn1C[C@@H]1CCCO1)[N@H+](Cc1ccccc1)Cc1cc2ccc(OC)cc2[nH]c1=O ZINC000057641162 195355199 /nfs/dbraw/zinc/35/51/99/195355199.db2.gz WVEBPGZATIOCBN-UKILVPOCSA-N 1 2 488.592 3.856 40 0 JHABLO CC[C@H](c1nnnn1C[C@@H]1CCCO1)[N@@H+](Cc1ccccc1)Cc1cc2ccc(OC)cc2[nH]c1=O ZINC000057641162 195355200 /nfs/dbraw/zinc/35/52/00/195355200.db2.gz WVEBPGZATIOCBN-UKILVPOCSA-N 1 2 488.592 3.856 40 0 JHABLO CC[C@@H](c1nnnn1CCOC)[N@H+](Cc1ccc(OC)cc1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000057641622 195355544 /nfs/dbraw/zinc/35/55/44/195355544.db2.gz WGZANEVIAPSVQT-VWLOTQADSA-N 1 2 490.608 3.940 40 0 JHABLO CC[C@@H](c1nnnn1CCOC)[N@@H+](Cc1ccc(OC)cc1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000057641622 195355547 /nfs/dbraw/zinc/35/55/47/195355547.db2.gz WGZANEVIAPSVQT-VWLOTQADSA-N 1 2 490.608 3.940 40 0 JHABLO COc1ccccc1NC(=O)N(CC[NH+]1CCOCC1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013570935 524608171 /nfs/dbraw/zinc/60/81/71/524608171.db2.gz SYEADHRFGKESAB-UHFFFAOYSA-N 1 2 464.566 3.520 40 0 JHABLO COc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3cccc(C[NH+]4CCOCC4)c3)cc2)cc1 ZINC000020453423 524693029 /nfs/dbraw/zinc/69/30/29/524693029.db2.gz UUSFTOIGZQJGKC-UHFFFAOYSA-N 1 2 481.574 3.581 40 0 JHABLO CS(=O)(=O)N(CC(=O)NCc1ccccc1-n1cc[nH+]c1)c1cc(C(F)(F)F)ccc1Cl ZINC000020492034 525152570 /nfs/dbraw/zinc/15/25/70/525152570.db2.gz PRDLXTAMNQJUKB-UHFFFAOYSA-N 1 2 486.903 3.627 40 0 JHABLO CS(=O)(=O)N(Cc1ccc(C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)cc1)c1ccccc1 ZINC000044840061 525156086 /nfs/dbraw/zinc/15/60/86/525156086.db2.gz SRIJXRHEMIKYOO-UHFFFAOYSA-N 1 2 460.559 3.769 40 0 JHABLO C[C@H]1CCC=C2C[C@H]3OC(=O)[C@H](CN4CC[NH+](C/C=C/c5ccccc5)CC4)[C@H]3[C@@H](O)[C@@]21C ZINC000020412456 526237663 /nfs/dbraw/zinc/23/76/63/526237663.db2.gz OENXBRAOGMLWJQ-QIQOPLSOSA-N 1 2 450.623 3.602 40 0 JHABLO COc1ccc2cc(CN(CC[NH+]3CCOCC3)C(=S)Nc3cccc(Cl)c3)c(=O)[nH]c2c1 ZINC000000879676 553815922 /nfs/dbraw/zinc/81/59/22/553815922.db2.gz QEUOGTXMJDUACW-UHFFFAOYSA-N 1 2 487.025 3.721 40 0 JHABLO CCc1ccc2[nH]c(=O)c(CN(CC[NH+]3CCOCC3)C(=S)Nc3ccccc3)cc2c1 ZINC000000916839 553848121 /nfs/dbraw/zinc/84/81/21/553848121.db2.gz JWMIFIOVLCOVEV-UHFFFAOYSA-N 1 2 450.608 3.622 40 0 JHABLO COc1ccc(Cn2nnnc2C[N@H+](Cc2cc3ccc(OC)cc3[nH]c2=O)C2CCCC2)cc1 ZINC000000927652 553864562 /nfs/dbraw/zinc/86/45/62/553864562.db2.gz KRQNWXSPRREULJ-UHFFFAOYSA-N 1 2 474.565 3.525 40 0 JHABLO COc1ccc(Cn2nnnc2C[N@@H+](Cc2cc3ccc(OC)cc3[nH]c2=O)C2CCCC2)cc1 ZINC000000927652 553864565 /nfs/dbraw/zinc/86/45/65/553864565.db2.gz KRQNWXSPRREULJ-UHFFFAOYSA-N 1 2 474.565 3.525 40 0 JHABLO COCCn1nnnc1[C@@H](c1cc2cc(C)c(C)cc2[nH]c1=O)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000006321304 554530826 /nfs/dbraw/zinc/53/08/26/554530826.db2.gz YLRPBMISTHKYFM-AREMUKBSSA-N 1 2 486.620 3.822 40 0 JHABLO COc1ccc(Cn2nnnc2[C@H](c2cc3cc(C)c(C)cc3[nH]c2=O)[NH+]2CCCCC2)cc1 ZINC000006321156 554530909 /nfs/dbraw/zinc/53/09/09/554530909.db2.gz NCRVWAPSEVQSEO-DEOSSOPVSA-N 1 2 458.566 3.764 40 0 JHABLO COc1ccc(Cn2nnnc2[C@H](c2cc3cc(C)ccc3[nH]c2=O)[NH+]2CCC(C)CC2)cc1 ZINC000006408869 554534525 /nfs/dbraw/zinc/53/45/25/554534525.db2.gz HOMOSZCBEVOBAA-DEOSSOPVSA-N 1 2 458.566 3.701 40 0 JHABLO CCOc1ccc2[nH]c(=O)c(C[N@H+](C[C@H]3CCCO3)[C@@H](CC)c3nnnn3C(C)(C)C)cc2c1 ZINC000013494503 555405073 /nfs/dbraw/zinc/40/50/73/555405073.db2.gz HUANAKOPAVLNJY-IRLDBZIGSA-N 1 2 468.602 3.801 40 0 JHABLO CCOc1ccc2[nH]c(=O)c(C[N@@H+](C[C@H]3CCCO3)[C@@H](CC)c3nnnn3C(C)(C)C)cc2c1 ZINC000013494503 555405075 /nfs/dbraw/zinc/40/50/75/555405075.db2.gz HUANAKOPAVLNJY-IRLDBZIGSA-N 1 2 468.602 3.801 40 0 JHABLO CC[C@H](c1nnnn1Cc1ccccc1)[N@H+](CCCO)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013496009 555410445 /nfs/dbraw/zinc/41/04/45/555410445.db2.gz FIARSJWSORNGBO-HSZRJFAPSA-N 1 2 460.582 3.515 40 0 JHABLO CC[C@H](c1nnnn1Cc1ccccc1)[N@@H+](CCCO)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013496009 555410446 /nfs/dbraw/zinc/41/04/46/555410446.db2.gz FIARSJWSORNGBO-HSZRJFAPSA-N 1 2 460.582 3.515 40 0 JHABLO CCCC[C@@H](c1nnnn1CCc1ccc(OC)c(OC)c1)[NH+]1CCN(c2ccccc2)CC1 ZINC000013505566 555466857 /nfs/dbraw/zinc/46/68/57/555466857.db2.gz ADLYDNSPNAOUHV-QHCPKHFHSA-N 1 2 464.614 3.987 40 0 JHABLO CCn1c2ccc(S(=O)(=O)N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)cc2oc1=O ZINC000019936823 555554419 /nfs/dbraw/zinc/55/44/19/555554419.db2.gz TXCCCYMDWFJZIV-UHFFFAOYSA-N 1 2 477.586 3.710 40 0 JHABLO CC[C@@H](C(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1)N(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000013714974 555592622 /nfs/dbraw/zinc/59/26/22/555592622.db2.gz LSUMFFIKNIXMCF-KXOMFBTKSA-N 1 2 476.042 3.742 40 0 JHABLO CC[C@H](C(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1)N(c1ccc(C)c(C)c1)S(C)(=O)=O ZINC000013716799 555594401 /nfs/dbraw/zinc/59/44/01/555594401.db2.gz NHOWOKCVFVOZJL-QXJBOHEXSA-N 1 2 469.651 3.706 40 0 JHABLO CCc1ccccc1N(CC(=O)NCc1ccccc1-n1cc[nH+]c1)S(=O)(=O)c1ccccc1 ZINC000020038975 555612789 /nfs/dbraw/zinc/61/27/89/555612789.db2.gz JYCOIOXOQHNBGW-UHFFFAOYSA-N 1 2 474.586 3.946 40 0 JHABLO CCC[C@]1(C(=O)OCC)[NH2+][C@H](c2ccccc2C)[C@H]2C(=O)N(c3ccc(OCC)cc3)C(=O)[C@@H]21 ZINC000020150703 555666942 /nfs/dbraw/zinc/66/69/42/555666942.db2.gz CMJKOGCJVKPULE-MTPWMDRRSA-N 1 2 464.562 3.946 40 0 JHABLO O=C(c1c[nH]c2ccccc12)[C@@H](O)[C@H](c1ccc(Cl)cc1)[NH+]1CCN(c2ncccn2)CC1 ZINC000015017725 555858718 /nfs/dbraw/zinc/85/87/18/555858718.db2.gz NDYCSJAWPGSONL-UPVQGACJSA-N 1 2 461.953 3.718 40 0 JHABLO CCCCOc1ccc(C(=O)[C@H]([C@H](c2ccccc2)[NH+]2CCOCC2)N2CCOCC2)cc1 ZINC000022580863 555940006 /nfs/dbraw/zinc/94/00/06/555940006.db2.gz SNGHKPGBEIVJPH-UIOOFZCWSA-N 1 2 452.595 3.823 40 0 JHABLO Cc1ccc(NC(=S)N(CC[NH+]2CCOCC2)Cc2cc3ccc(C)cc3[nH]c2=O)cc1 ZINC000026100273 556241189 /nfs/dbraw/zinc/24/11/89/556241189.db2.gz MJMOJOIDQMSYSR-UHFFFAOYSA-N 1 2 450.608 3.676 40 0 JHABLO CC[C@@H](c1nnnn1CCc1ccccc1)[N@H+](CCCO)Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000013065103 556263687 /nfs/dbraw/zinc/26/36/87/556263687.db2.gz CWAYTNINEKZNHP-DEOSSOPVSA-N 1 2 474.609 3.710 40 0 JHABLO CC[C@@H](c1nnnn1CCc1ccccc1)[N@@H+](CCCO)Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000013065103 556263691 /nfs/dbraw/zinc/26/36/91/556263691.db2.gz CWAYTNINEKZNHP-DEOSSOPVSA-N 1 2 474.609 3.710 40 0 JHABLO CC[C@H](c1nnnn1CCc1ccccc1)[N@H+](CCCO)Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000013065102 556263719 /nfs/dbraw/zinc/26/37/19/556263719.db2.gz CWAYTNINEKZNHP-XMMPIXPASA-N 1 2 474.609 3.710 40 0 JHABLO CC[C@H](c1nnnn1CCc1ccccc1)[N@@H+](CCCO)Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000013065102 556263723 /nfs/dbraw/zinc/26/37/23/556263723.db2.gz CWAYTNINEKZNHP-XMMPIXPASA-N 1 2 474.609 3.710 40 0 JHABLO CC1=C[C@@H](CNC(=O)c2ccccn2)[C@H](C(C)C)C[C@H]1CC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000030881676 556386576 /nfs/dbraw/zinc/38/65/76/556386576.db2.gz UVAPVEUTSADYMU-HJOGWXRNSA-N 1 2 475.637 3.800 40 0 biogenic,in-vitro JHABLO CC1=C[C@@H](CNC(=O)NC(C)C)[C@H](C(C)C)C[C@H]1CC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000030881640 556386678 /nfs/dbraw/zinc/38/66/78/556386678.db2.gz SATCLIAXUOBNHO-VABKMULXSA-N 1 2 455.647 3.683 40 0 biogenic,in-vitro JHABLO Cc1ccc(NC(=S)N(CC[NH+]2CCOCC2)Cc2cc3cccc(C)c3[nH]c2=O)cc1 ZINC000019822702 556392488 /nfs/dbraw/zinc/39/24/88/556392488.db2.gz AGYTZZVTHUTOHU-UHFFFAOYSA-N 1 2 450.608 3.676 40 0 JHABLO S=C1N[C@H](c2ccccn2)[C@@H](c2cccn2-c2cccc(Cl)c2)N1CC[NH+]1CCOCC1 ZINC000223132445 569900528 /nfs/dbraw/zinc/90/05/28/569900528.db2.gz QZDKXYRHDYOXPT-DHIUTWEWSA-N 1 2 468.026 3.830 40 0 JHABLO S=C1N[C@@H](c2ccccn2)[C@H](c2ccc(Br)s2)N1CCC[NH+]1CCOCC1 ZINC000223168712 569901816 /nfs/dbraw/zinc/90/18/16/569901816.db2.gz BTZFEKUHUVRFOF-ROUUACIJSA-N 1 2 467.458 3.600 40 0 JHABLO CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1ccc(C)c(S(=O)(=O)N2CC[NH+](C)CC2)c1 ZINC000223181902 569902452 /nfs/dbraw/zinc/90/24/52/569902452.db2.gz APAQUWHOQLJSRM-XMMPIXPASA-N 1 2 485.650 3.606 40 0 JHABLO Fc1ccccc1-n1cccc1[C@@H]1[C@@H](c2ccccn2)NC(=S)N1CCC[NH+]1CCOCC1 ZINC000223194490 569902934 /nfs/dbraw/zinc/90/29/34/569902934.db2.gz KEQOMJJLQYNLQO-DNQXCXABSA-N 1 2 465.598 3.706 40 0 JHABLO COC(=O)CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1ccc([NH+](C)C)cc1 ZINC000223730823 569921454 /nfs/dbraw/zinc/92/14/54/569921454.db2.gz GSIBUXYLXHWJKB-DNQXCXABSA-N 1 2 463.607 3.864 40 0 JHABLO Cc1ccc(C(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)cc1NS(=O)(=O)c1ccccc1 ZINC000224561941 569948498 /nfs/dbraw/zinc/94/84/98/569948498.db2.gz NFVZQYCMIZZLKF-UHFFFAOYSA-N 1 2 479.602 3.558 40 0 JHABLO O=C(COc1ccc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)cc1)NCCCn1cc[nH+]c1 ZINC000408596332 569966718 /nfs/dbraw/zinc/96/67/18/569966718.db2.gz UGROKFSDZUNUEH-UHFFFAOYSA-N 1 2 483.377 3.576 40 0 JHABLO O=C(CN(c1cccc(Cl)c1Cl)S(=O)(=O)c1ccccc1)NCCCn1cc[nH+]c1 ZINC000408617164 569976038 /nfs/dbraw/zinc/97/60/38/569976038.db2.gz IETKMJDZQBKRQY-UHFFFAOYSA-N 1 2 467.378 3.592 40 0 JHABLO C[C@@H](C(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1)N1c2cccc3cccc(c23)S1(=O)=O ZINC000408620585 569977833 /nfs/dbraw/zinc/97/78/33/569977833.db2.gz PLEWFLFCVCEXIQ-OSICKASQSA-N 1 2 461.587 3.595 40 0 JHABLO COc1ccc(Cl)cc1NC(=S)N1CC[NH+](Cc2cc(OC)c(OC)c(OC)c2)CC1 ZINC000225224044 569983799 /nfs/dbraw/zinc/98/37/99/569983799.db2.gz UVHSYGMDHAHGEY-UHFFFAOYSA-N 1 2 466.003 3.889 40 0 JHABLO CCOC(=O)[C@]1(Cc2ccccc2)[NH2+][C@H](c2cccs2)[C@@H]2C(=O)N(c3ccccc3F)C(=O)[C@H]21 ZINC000245229683 570056177 /nfs/dbraw/zinc/05/61/77/570056177.db2.gz CYEDKSCPCAGLAV-UXGLMHHASA-N 1 2 478.545 3.882 40 0 JHABLO CCC[C@H](c1nnnn1CCOC)[N@@H+](Cc1cc2cc(C)c(C)cc2[nH]c1=O)C[C@H]1CCCO1 ZINC000253500629 570102337 /nfs/dbraw/zinc/10/23/37/570102337.db2.gz ZDYCZYXJKQFZOO-FYYLOGMGSA-N 1 2 468.602 3.713 40 0 JHABLO CCC[C@H](c1nnnn1CCOC)[N@H+](Cc1cc2cc(C)c(C)cc2[nH]c1=O)C[C@H]1CCCO1 ZINC000253500629 570102338 /nfs/dbraw/zinc/10/23/38/570102338.db2.gz ZDYCZYXJKQFZOO-FYYLOGMGSA-N 1 2 468.602 3.713 40 0 JHABLO Cc1[nH]c2ccc(CCC(=O)N3CCC[C@@H]3c3ccnc4c(C(=O)NC5CCCC5)cnn43)cc2[nH+]1 ZINC000257202077 570108492 /nfs/dbraw/zinc/10/84/92/570108492.db2.gz AKISVFQIPAMMQU-HSZRJFAPSA-N 1 2 485.592 3.883 40 0 JHABLO Cc1[nH]c2cc(CCC(=O)N3CCC[C@@H]3c3ccnc4c(C(=O)NC5CCCC5)cnn43)ccc2[nH+]1 ZINC000257202077 570108493 /nfs/dbraw/zinc/10/84/93/570108493.db2.gz AKISVFQIPAMMQU-HSZRJFAPSA-N 1 2 485.592 3.883 40 0 JHABLO Cc1[nH]c2ccc(CCC(=O)N3CCC[C@H]3c3ccnc4c(C(=O)NC5CCCC5)cnn43)cc2[nH+]1 ZINC000257202078 570108502 /nfs/dbraw/zinc/10/85/02/570108502.db2.gz AKISVFQIPAMMQU-QHCPKHFHSA-N 1 2 485.592 3.883 40 0 JHABLO Cc1[nH]c2cc(CCC(=O)N3CCC[C@H]3c3ccnc4c(C(=O)NC5CCCC5)cnn43)ccc2[nH+]1 ZINC000257202078 570108503 /nfs/dbraw/zinc/10/85/03/570108503.db2.gz AKISVFQIPAMMQU-QHCPKHFHSA-N 1 2 485.592 3.883 40 0 JHABLO C[C@]1(O)C[N@H+](CC(=O)Nc2ncc(Cc3ccc(F)cc3)s2)CC[C@@H]1Oc1cccc(F)c1 ZINC000257206314 570109709 /nfs/dbraw/zinc/10/97/09/570109709.db2.gz BCVDIZUGCICYLG-URXFXBBRSA-N 1 2 473.545 3.855 40 0 JHABLO C[C@]1(O)C[N@@H+](CC(=O)Nc2ncc(Cc3ccc(F)cc3)s2)CC[C@@H]1Oc1cccc(F)c1 ZINC000257206314 570109710 /nfs/dbraw/zinc/10/97/10/570109710.db2.gz BCVDIZUGCICYLG-URXFXBBRSA-N 1 2 473.545 3.855 40 0 JHABLO CC(C)c1[nH+]c2ccccc2n1CC(=O)N1CCOC[C@@]2(CN(c3ccc(F)cc3)C(=O)O2)C1 ZINC000257247506 570122506 /nfs/dbraw/zinc/12/25/06/570122506.db2.gz IZHMBAYWBPUKNE-VWLOTQADSA-N 1 2 466.513 3.553 40 0 JHABLO NS(=O)(=O)c1ccc2c(c1)CN(c1cc(Nc3cccc(Cl)c3)nc(C3CC3)[nH+]1)CC2 ZINC000328984925 570180637 /nfs/dbraw/zinc/18/06/37/570180637.db2.gz HQTDBLPTRXTTKD-UHFFFAOYSA-N 1 2 455.971 3.961 40 0 JHABLO NS(=O)(=O)c1ccc2c(c1)CN(c1cc(Nc3cccc(Cl)c3)[nH+]c(C3CC3)n1)CC2 ZINC000328984925 570180639 /nfs/dbraw/zinc/18/06/39/570180639.db2.gz HQTDBLPTRXTTKD-UHFFFAOYSA-N 1 2 455.971 3.961 40 0 JHABLO O=C(CN(c1cc(Cl)ccc1Cl)S(=O)(=O)c1ccccc1)NCCCn1cc[nH+]c1 ZINC000408563205 570202117 /nfs/dbraw/zinc/20/21/17/570202117.db2.gz KGJYOQGVKOEMLB-UHFFFAOYSA-N 1 2 467.378 3.592 40 0 JHABLO Cc1ccc2[nH]c(=O)c(CN(CC[NH+]3CCOCC3)C(=O)Nc3ccccc3Cl)cc2c1 ZINC000001353090 194099967 /nfs/dbraw/zinc/09/99/67/194099967.db2.gz YHAUIHZNBJUNAB-UHFFFAOYSA-N 1 2 454.958 3.856 40 0 JHABLO CCOC(=O)Cn1nnnc1[C@H](CC)[N@H+](Cc1ccccc1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000001375297 194109832 /nfs/dbraw/zinc/10/98/32/194109832.db2.gz PBIOWIAUIOFVKM-DEOSSOPVSA-N 1 2 488.592 3.848 40 0 JHABLO CCOC(=O)Cn1nnnc1[C@H](CC)[N@@H+](Cc1ccccc1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000001375297 194109834 /nfs/dbraw/zinc/10/98/34/194109834.db2.gz PBIOWIAUIOFVKM-DEOSSOPVSA-N 1 2 488.592 3.848 40 0 JHABLO C[C@@H]1CCC[N@@H+]([C@@H](c2nnnn2C2CCCCC2)c2cc3cc4c(cc3[nH]c2=O)OCO4)C1 ZINC000012713201 195096063 /nfs/dbraw/zinc/09/60/63/195096063.db2.gz DJPOUMBJJBPFTG-IVZQSRNASA-N 1 2 450.543 3.570 40 0 JHABLO C[C@@H]1CCC[N@H+]([C@@H](c2nnnn2C2CCCCC2)c2cc3cc4c(cc3[nH]c2=O)OCO4)C1 ZINC000012713201 195096066 /nfs/dbraw/zinc/09/60/66/195096066.db2.gz DJPOUMBJJBPFTG-IVZQSRNASA-N 1 2 450.543 3.570 40 0 JHABLO CC[N@H+](Cc1ccccc1)[C@@H](c1nnnn1C[C@@H]1CCCO1)c1cc2c(C)cc(C)cc2[nH]c1=O ZINC000057584912 195351080 /nfs/dbraw/zinc/35/10/80/195351080.db2.gz BJVLHQYCDIPNCW-SQJMNOBHSA-N 1 2 472.593 3.922 40 0 JHABLO CC[N@@H+](Cc1ccccc1)[C@@H](c1nnnn1C[C@@H]1CCCO1)c1cc2c(C)cc(C)cc2[nH]c1=O ZINC000057584912 195351083 /nfs/dbraw/zinc/35/10/83/195351083.db2.gz BJVLHQYCDIPNCW-SQJMNOBHSA-N 1 2 472.593 3.922 40 0 JHABLO CCOc1ccc2[nH]c(=O)c(C[NH2+]c3ccc(N4CCN(c5ncccn5)CC4)cc3)cc2c1 ZINC000057712587 195358103 /nfs/dbraw/zinc/35/81/03/195358103.db2.gz LACHTQMNKUXDAT-UHFFFAOYSA-N 1 2 456.550 3.656 40 0 JHABLO Cc1[nH+]c2ccccc2n1CCC(=O)N1CCC(c2ccnc3nc(C(F)(F)F)nn32)CC1 ZINC000057730293 195358597 /nfs/dbraw/zinc/35/85/97/195358597.db2.gz NPZHXCVHXVNUDY-UHFFFAOYSA-N 1 2 457.460 3.598 40 0 JHABLO Cc1cccc(C)c1-n1nnnc1[C@H](c1cccnc1)[N@H+]1[C@@H]2CC[C@H]1CC(O)(c1ccco1)C2 ZINC000057721757 195358738 /nfs/dbraw/zinc/35/87/38/195358738.db2.gz ZHEJYVKOVUCCHT-ZIYCHHKCSA-N 1 2 456.550 3.871 40 0 JHABLO Cc1cccc(C)c1-n1nnnc1[C@H](c1cccnc1)[N@@H+]1[C@@H]2CC[C@H]1CC(O)(c1ccco1)C2 ZINC000057721757 195358741 /nfs/dbraw/zinc/35/87/41/195358741.db2.gz ZHEJYVKOVUCCHT-ZIYCHHKCSA-N 1 2 456.550 3.871 40 0 JHABLO CC1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)NCc3ccccc3-n3cc[nH+]c3)c2)CC1 ZINC000020460112 521030015 /nfs/dbraw/zinc/03/00/15/521030015.db2.gz XCNPUTNNBPWBJE-UHFFFAOYSA-N 1 2 472.998 3.876 40 0 JHABLO CC1CC[NH+]([C@@H](c2nnnn2C2CCCCC2)c2cc3cc4c(cc3[nH]c2=O)OCCO4)CC1 ZINC000006148974 521034184 /nfs/dbraw/zinc/03/41/84/521034184.db2.gz LBDKLTYXYHQQRW-HSZRJFAPSA-N 1 2 464.570 3.612 40 0 JHABLO Cc1ccc(N(CC(=O)NCc2ccc(-n3cc[nH+]c3)cc2)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000020112337 524891296 /nfs/dbraw/zinc/89/12/96/524891296.db2.gz SDNIJEYKOIPVJZ-UHFFFAOYSA-N 1 2 478.549 3.832 40 0 JHABLO O=C(CN(C1CCCCC1)S(=O)(=O)c1ccccc1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000016450900 526694877 /nfs/dbraw/zinc/69/48/77/526694877.db2.gz NUQBVJFNNWWBDX-JLHYYAGUSA-N 1 2 481.662 3.868 40 0 JHABLO Cc1cc(C)c2[nH]c(=O)c(CN(CC[NH+]3CCOCC3)C(=S)Nc3ccc(F)cc3)cc2c1 ZINC000000875505 553812489 /nfs/dbraw/zinc/81/24/89/553812489.db2.gz CBFMTXSMSJNSGY-UHFFFAOYSA-N 1 2 468.598 3.815 40 0 JHABLO COc1ccc(-c2csc(N(CCC[NH+]3CCOCC3)C(=O)COc3ccccc3)n2)cc1 ZINC000000929208 553866862 /nfs/dbraw/zinc/86/68/62/553866862.db2.gz YXFXDVYJBKLTQV-UHFFFAOYSA-N 1 2 467.591 3.953 40 0 JHABLO COCCn1nnnc1[C@H](c1cc2c(C)ccc(C)c2[nH]c1=O)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000006322127 554531487 /nfs/dbraw/zinc/53/14/87/554531487.db2.gz ZBPLKXJVZCWWBU-SANMLTNESA-N 1 2 486.620 3.822 40 0 JHABLO COCCn1nnnc1[C@@H](c1cc2c(C)ccc(C)c2[nH]c1=O)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000006405670 554533556 /nfs/dbraw/zinc/53/35/56/554533556.db2.gz ZBPLKXJVZCWWBU-AREMUKBSSA-N 1 2 486.620 3.822 40 0 JHABLO CC[C@H](c1nnnn1Cc1ccco1)[N@@H+](Cc1cc2cc(C)ccc2[nH]c1=O)C[C@@H]1CCCO1 ZINC000013495480 555407742 /nfs/dbraw/zinc/40/77/42/555407742.db2.gz BWXCIUNLSFTSLX-NZQKXSOJSA-N 1 2 462.554 3.597 40 0 JHABLO CC[C@H](c1nnnn1Cc1ccco1)[N@H+](Cc1cc2cc(C)ccc2[nH]c1=O)C[C@@H]1CCCO1 ZINC000013495480 555407745 /nfs/dbraw/zinc/40/77/45/555407745.db2.gz BWXCIUNLSFTSLX-NZQKXSOJSA-N 1 2 462.554 3.597 40 0 JHABLO COCCn1nnnc1[C@H](C(C)C)[N@H+](Cc1ccc(C)cc1)Cc1cc2ccc(OC)cc2[nH]c1=O ZINC000013498751 555424335 /nfs/dbraw/zinc/42/43/35/555424335.db2.gz PRZXHNXRUQHWSG-VWLOTQADSA-N 1 2 490.608 3.878 40 0 JHABLO COCCn1nnnc1[C@H](C(C)C)[N@@H+](Cc1ccc(C)cc1)Cc1cc2ccc(OC)cc2[nH]c1=O ZINC000013498751 555424340 /nfs/dbraw/zinc/42/43/40/555424340.db2.gz PRZXHNXRUQHWSG-VWLOTQADSA-N 1 2 490.608 3.878 40 0 JHABLO CCC[C@@H](c1nnnn1C[C@@H]1CCCO1)[N@@H+](Cc1cc2cc(C)c(C)cc2[nH]c1=O)C[C@@H]1CCCO1 ZINC000013499482 555432284 /nfs/dbraw/zinc/43/22/84/555432284.db2.gz CMSCSGARONMOKD-LSQMVHIFSA-N 1 2 494.640 3.833 40 0 JHABLO CCC[C@@H](c1nnnn1C[C@@H]1CCCO1)[N@H+](Cc1cc2cc(C)c(C)cc2[nH]c1=O)C[C@@H]1CCCO1 ZINC000013499482 555432287 /nfs/dbraw/zinc/43/22/87/555432287.db2.gz CMSCSGARONMOKD-LSQMVHIFSA-N 1 2 494.640 3.833 40 0 JHABLO O=C(CN1c2ccc(F)cc2-c2ccccc2S1(=O)=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000020110377 555646345 /nfs/dbraw/zinc/64/63/45/555646345.db2.gz JVIKJWIYHAGUJY-UHFFFAOYSA-N 1 2 462.506 3.504 40 0 JHABLO COc1ccc2[nH]c(=O)c([C@@H](c3nnnn3CCc3ccccc3)[NH+]3CCC(C)CC3)cc2c1 ZINC000013023182 556212482 /nfs/dbraw/zinc/21/24/82/556212482.db2.gz JTYDQAZBWQZGSP-DEOSSOPVSA-N 1 2 458.566 3.587 40 0 JHABLO C=C/C(=C\C=C/C)S(=O)(=O)N1CC[NH+](C[C@@H](O)COc2ccc(-c3ccccc3)cc2)CC1 ZINC000027530765 556290998 /nfs/dbraw/zinc/29/09/98/556290998.db2.gz GBOYMIQVSAXCCB-VMTHIEPVSA-N 1 2 468.619 3.687 40 0 JHABLO Cc1cccc2cc(CN(CC[NH+]3CCOCC3)C(=S)N[C@H](C)c3ccccc3)c(=O)[nH]c12 ZINC000019822716 556392350 /nfs/dbraw/zinc/39/23/50/556392350.db2.gz JPOMIDMCZORSMN-HXUWFJFHSA-N 1 2 464.635 3.606 40 0 JHABLO CCOC(=O)c1c(=O)n(-c2ccccc2)c(=S)n(-c2ccccc2)c1SCC[NH+]1CCOCC1 ZINC000031852170 556408871 /nfs/dbraw/zinc/40/88/71/556408871.db2.gz ZNWNXXSUGUQELY-UHFFFAOYSA-N 1 2 497.642 3.959 40 0 JHABLO CC(C)(Oc1ccc(C(=O)c2ccc(Cl)cc2)cc1Cl)C(=O)N1CC[NH+](CCO)CC1 ZINC000031853393 556409013 /nfs/dbraw/zinc/40/90/13/556409013.db2.gz AQKYULZBAHEEFZ-UHFFFAOYSA-N 1 2 465.377 3.518 40 0 JHABLO Cc1cccc(C)c1NC(=O)CSC1=[NH+][C@@H]2CS(=O)(=O)C[C@H]2N1Cc1ccc(Cl)cc1 ZINC000032640083 556460427 /nfs/dbraw/zinc/46/04/27/556460427.db2.gz BKBWGNIVVDKNRF-RTBURBONSA-N 1 2 478.039 3.666 40 0 JHABLO Cc1cc(C)c2[nH]c(=O)c([C@@H](c3nnnn3Cc3ccc4c(c3)OCO4)[NH+]3CCC(C)CC3)cc2c1 ZINC000008582596 562939792 /nfs/dbraw/zinc/93/97/92/562939792.db2.gz SLLDYEGVVSGPNE-VWLOTQADSA-N 1 2 486.576 3.730 40 0 JHABLO CCOc1ccc2[nH]c(=O)c(C[N@H+](C[C@@H]3CCCO3)[C@H](CC)c3nnnn3Cc3ccco3)cc2c1 ZINC000033937147 569638490 /nfs/dbraw/zinc/63/84/90/569638490.db2.gz PZIWFWKKHQCSNG-XUZZJYLKSA-N 1 2 492.580 3.687 40 0 JHABLO CCOc1ccc2[nH]c(=O)c(C[N@@H+](C[C@@H]3CCCO3)[C@H](CC)c3nnnn3Cc3ccco3)cc2c1 ZINC000033937147 569638491 /nfs/dbraw/zinc/63/84/91/569638491.db2.gz PZIWFWKKHQCSNG-XUZZJYLKSA-N 1 2 492.580 3.687 40 0 JHABLO COc1cc2cc(C[NH2+]c3ccc(N4CCN(C(=O)c5ccco5)CC4)cc3)c(=O)[nH]c2cc1OC ZINC000072336296 569703303 /nfs/dbraw/zinc/70/33/03/569703303.db2.gz ZLRVJXPEBUWGRC-UHFFFAOYSA-N 1 2 488.544 3.713 40 0 JHABLO COC(=O)[C@@]1(Cc2ccccc2)[NH2+][C@H](c2ccccc2C)[C@H]2C(=O)N(c3cccc(C(C)=O)c3)C(=O)[C@H]21 ZINC000100422246 569759975 /nfs/dbraw/zinc/75/99/75/569759975.db2.gz GFNLWRVFGHIACM-MMGVRFDJSA-N 1 2 496.563 3.802 40 0 JHABLO O=C(NCc1ccccc1C[NH+]1CCOCC1)/C(=C/c1cccs1)NC(=O)c1ccccc1 ZINC000222976848 569895927 /nfs/dbraw/zinc/89/59/27/569895927.db2.gz GXAXUFKEDLNSMD-ULJHMMPZSA-N 1 2 461.587 3.668 40 0 JHABLO CN(C)c1ccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2CCC[NH+]2CCOCC2)cc1 ZINC000223194172 569902890 /nfs/dbraw/zinc/90/28/90/569902890.db2.gz QNQULEMFQHFUFZ-UIOOFZCWSA-N 1 2 490.677 3.633 40 0 JHABLO Fc1ccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC[NH+]2CCOCC2)cc1 ZINC000223195025 569902971 /nfs/dbraw/zinc/90/29/71/569902971.db2.gz JLVCTLICXOQGDS-RPWUZVMVSA-N 1 2 465.598 3.706 40 0 JHABLO Cc1c(Cl)cccc1N(CCCC(=O)NCc1ccc(-n2cc[nH+]c2)cc1)S(C)(=O)=O ZINC000223256342 569905156 /nfs/dbraw/zinc/90/51/56/569905156.db2.gz BANIZUPSFNJIDJ-UHFFFAOYSA-N 1 2 460.987 3.697 40 0 JHABLO COC(=O)CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc([NH+](C)C)cc1 ZINC000223730737 569921420 /nfs/dbraw/zinc/92/14/20/569921420.db2.gz GSIBUXYLXHWJKB-RPWUZVMVSA-N 1 2 463.607 3.864 40 0 JHABLO COc1ccc(Nc2cc(NCCNS(=O)(=O)c3ccccc3C(F)(F)F)[nH+]c(C)n2)cc1 ZINC000224139125 569934276 /nfs/dbraw/zinc/93/42/76/569934276.db2.gz XJFHRRYRBZXDAU-UHFFFAOYSA-N 1 2 481.500 3.946 40 0 JHABLO CCNC(=O)c1cc(S(=O)(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)ccc1C ZINC000408621641 569978411 /nfs/dbraw/zinc/97/84/11/569978411.db2.gz LUDDMZIXDYPBMN-UHFFFAOYSA-N 1 2 477.630 3.841 40 0 JHABLO CS(=O)(=O)N(CCCC(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1)c1ccc(Cl)cc1 ZINC000408681787 570012675 /nfs/dbraw/zinc/01/26/75/570012675.db2.gz ZGZPOWMDPWTCSB-WEVVVXLNSA-N 1 2 476.042 3.744 40 0 JHABLO O=c1sc2cc(S(=O)(=O)NCc3ccc(-n4cc[nH+]c4)cc3)ccc2n1Cc1ccccc1 ZINC000225745983 570019515 /nfs/dbraw/zinc/01/95/15/570019515.db2.gz CZZZTTYBQYLTAW-UHFFFAOYSA-N 1 2 476.583 3.776 40 0 JHABLO CC(C)[C@@H](c1nnnn1C(C)(C)C)[N@@H+](Cc1cc2cc3c(cc2[nH]c1=O)OCO3)C[C@H]1CCCO1 ZINC000253500502 570102060 /nfs/dbraw/zinc/10/20/60/570102060.db2.gz RZTHVDNSDWKQBT-GCJKJVERSA-N 1 2 482.585 3.789 40 0 JHABLO CC(C)[C@@H](c1nnnn1C(C)(C)C)[N@H+](Cc1cc2cc3c(cc2[nH]c1=O)OCO3)C[C@H]1CCCO1 ZINC000253500502 570102061 /nfs/dbraw/zinc/10/20/61/570102061.db2.gz RZTHVDNSDWKQBT-GCJKJVERSA-N 1 2 482.585 3.789 40 0 JHABLO COc1ccc2cc([C@H](c3nnnn3CCc3ccccc3)[N@@H+]3CCC[C@H](C)C3)c(=O)[nH]c2c1 ZINC000253616898 570105014 /nfs/dbraw/zinc/10/50/14/570105014.db2.gz BEWOHCJRIIRPBQ-MHECFPHRSA-N 1 2 458.566 4.000 40 0 JHABLO COc1ccc2cc([C@H](c3nnnn3CCc3ccccc3)[N@H+]3CCC[C@H](C)C3)c(=O)[nH]c2c1 ZINC000253616898 570105015 /nfs/dbraw/zinc/10/50/15/570105015.db2.gz BEWOHCJRIIRPBQ-MHECFPHRSA-N 1 2 458.566 4.000 40 0 JHABLO CN(Cc1ccccc1)C(=O)C[C@H]1CN(C(=O)Cn2cc[nH+]c2)CC[C@@H]1Oc1cccc(Cl)c1 ZINC000257202780 570108600 /nfs/dbraw/zinc/10/86/00/570108600.db2.gz ANKJIQMAGWFIQA-URXFXBBRSA-N 1 2 480.996 3.881 40 0 JHABLO CN1C(=O)C2(C[C@@H]1Cc1cccc(F)c1)CCN(C(=O)c1ccccc1Cn1cc[nH+]c1)CC2 ZINC000257216529 570113051 /nfs/dbraw/zinc/11/30/51/570113051.db2.gz CUXBDOCMUNQGTE-QHCPKHFHSA-N 1 2 460.553 3.766 40 0 JHABLO O=C(c1ccccc1OCC[NH+]1CCOCC1)N1CCC[C@H](Cc2cccc3n[nH]cc32)CC1 ZINC000257245274 570121536 /nfs/dbraw/zinc/12/15/36/570121536.db2.gz IOUAUGMKUHYCIL-NRFANRHFSA-N 1 2 462.594 3.759 40 0 JHABLO Cc1nc(N)cc([C@]2(C)CCCN(C(=O)C3(C)CCN(C(=O)CCc4ccccc4)CC3)C2)[nH+]1 ZINC000257251830 570123738 /nfs/dbraw/zinc/12/37/38/570123738.db2.gz JSLHHBCAFCXLGY-HHHXNRCGSA-N 1 2 463.626 3.509 40 0 JHABLO C[NH+]1CCN(c2cc(C(=O)N3CCC[C@@H](c4[nH]ncc4-c4ccc(Cl)cc4)C3)ccn2)CC1 ZINC000257262266 570127009 /nfs/dbraw/zinc/12/70/09/570127009.db2.gz LKSYXBSFJNDFED-HXUWFJFHSA-N 1 2 465.001 3.897 40 0 JHABLO COc1ccc(-c2nccc([C@@H]3CCCN3C(=O)c3ccccc3C[NH+]3CCOCC3)n2)cc1 ZINC000257265612 570128081 /nfs/dbraw/zinc/12/80/81/570128081.db2.gz LZKZKVAOBBARJO-VWLOTQADSA-N 1 2 458.562 3.962 40 0 JHABLO CN(C[C@]1(O)CCCN(c2cc[nH+]c3ccncc32)C1)C(=O)CCc1cn(C)c2ccccc12 ZINC000257275683 570131300 /nfs/dbraw/zinc/13/13/00/570131300.db2.gz NQLSEOOJLHYZFQ-HHHXNRCGSA-N 1 2 457.578 3.544 40 0 JHABLO CNC(=O)c1cccc([C@@H]2CN(C(=O)c3cccc(OCc4ccc(F)cc4)c3)CC[N@@H+]2C)c1 ZINC000257312841 570142439 /nfs/dbraw/zinc/14/24/39/570142439.db2.gz UPTUSXBHHJHKEY-VWLOTQADSA-N 1 2 461.537 3.893 40 0 JHABLO CNC(=O)c1cccc([C@@H]2CN(C(=O)c3cccc(OCc4ccc(F)cc4)c3)CC[N@H+]2C)c1 ZINC000257312841 570142440 /nfs/dbraw/zinc/14/24/40/570142440.db2.gz UPTUSXBHHJHKEY-VWLOTQADSA-N 1 2 461.537 3.893 40 0 JHABLO O=C(c1cccc(Cn2cc[nH+]c2)c1)N1CCC[C@]2(CN(CCc3ccccc3)C(=O)O2)CC1 ZINC000257315831 570143208 /nfs/dbraw/zinc/14/32/08/570143208.db2.gz VCYBDQQRMSJCEF-HHHXNRCGSA-N 1 2 458.562 3.991 40 0 JHABLO CC(=O)c1ccc(NC(=O)C[N@@H+]2CC[C@@H]3O[C@@H]4c5cccc(O)c5OC(C)(C)[C@H]4C[C@@H]32)cc1 ZINC000257327365 570146836 /nfs/dbraw/zinc/14/68/36/570146836.db2.gz XBBRIDJWAYHUHG-CGCKEFBRSA-N 1 2 450.535 3.925 40 0 JHABLO CC(=O)c1ccc(NC(=O)C[N@H+]2CC[C@@H]3O[C@@H]4c5cccc(O)c5OC(C)(C)[C@H]4C[C@@H]32)cc1 ZINC000257327365 570146837 /nfs/dbraw/zinc/14/68/37/570146837.db2.gz XBBRIDJWAYHUHG-CGCKEFBRSA-N 1 2 450.535 3.925 40 0 JHABLO CC(C)Cc1[nH+]c2ccccc2n1CC(=O)N1CCO[C@H](c2cccc(Br)n2)C1 ZINC000257329674 570147352 /nfs/dbraw/zinc/14/73/52/570147352.db2.gz XKYYEQZQLFWGKC-IBGZPJMESA-N 1 2 457.372 3.992 40 0 JHABLO O=C(c1ccccc1C[NH+]1CCOCC1)N1CCC2(CO[C@H](Cc3cccc(F)c3)C2)CC1 ZINC000257344713 570151868 /nfs/dbraw/zinc/15/18/68/570151868.db2.gz ZYJULOIHEBTMGC-XMMPIXPASA-N 1 2 452.570 3.912 40 0 JHABLO OCCCNc1nc(Nc2ccc(N3CCOCC3)cc2)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000328971686 570179990 /nfs/dbraw/zinc/17/99/90/570179990.db2.gz DSJRAXQFVGSHSM-UHFFFAOYSA-N 1 2 489.498 4.417 40 0 JHABLO Cc1cc(C)c(S(=O)(=O)N2CCC[C@H](C(=O)N3CC[NH+](C/C=C/c4ccccc4)CC3)C2)c(C)c1 ZINC000408589357 570208779 /nfs/dbraw/zinc/20/87/79/570208779.db2.gz FEHZJYMPTDFEDI-DICASGCDSA-N 1 2 495.689 3.870 40 0 JHABLO CC1=C[C@@H](CNC(=O)c2ccncc2)[C@H](C(C)C)C[C@H]1CC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000030881654 291508202 /nfs/dbraw/zinc/50/82/02/291508202.db2.gz UGIHUWKDACYZBD-SDHOMARFSA-N 1 2 475.637 3.800 40 0 biogenic,in-vitro JHABLO COc1ccc2[nH]c(=O)c(C[N@H+](CCc3ccccc3)Cc3nnnn3Cc3ccc(F)cc3)cc2c1 ZINC000001372997 194106875 /nfs/dbraw/zinc/10/68/75/194106875.db2.gz IAPSURHFPHHYRC-UHFFFAOYSA-N 1 2 498.562 3.956 40 0 JHABLO COc1ccc2[nH]c(=O)c(C[N@@H+](CCc3ccccc3)Cc3nnnn3Cc3ccc(F)cc3)cc2c1 ZINC000001372997 194106877 /nfs/dbraw/zinc/10/68/77/194106877.db2.gz IAPSURHFPHHYRC-UHFFFAOYSA-N 1 2 498.562 3.956 40 0 JHABLO O=c1[nH]c2cc3c(cc2cc1C[N@H+](CCc1ccccc1)Cc1nnnn1C1CCCCC1)OCO3 ZINC000001375753 194110447 /nfs/dbraw/zinc/11/04/47/194110447.db2.gz CSHYGFSRLOVRGC-UHFFFAOYSA-N 1 2 486.576 3.993 40 0 JHABLO O=c1[nH]c2cc3c(cc2cc1C[N@@H+](CCc1ccccc1)Cc1nnnn1C1CCCCC1)OCO3 ZINC000001375753 194110450 /nfs/dbraw/zinc/11/04/50/194110450.db2.gz CSHYGFSRLOVRGC-UHFFFAOYSA-N 1 2 486.576 3.993 40 0 JHABLO CC[N@H+](Cc1ccccc1)[C@H](c1nnnn1C[C@@H]1CCCO1)c1cc2cc(C)c(C)cc2[nH]c1=O ZINC000057584881 195351197 /nfs/dbraw/zinc/35/11/97/195351197.db2.gz INGPIWYTORUJFE-DHLKQENFSA-N 1 2 472.593 3.922 40 0 JHABLO CC[N@@H+](Cc1ccccc1)[C@H](c1nnnn1C[C@@H]1CCCO1)c1cc2cc(C)c(C)cc2[nH]c1=O ZINC000057584881 195351199 /nfs/dbraw/zinc/35/11/99/195351199.db2.gz INGPIWYTORUJFE-DHLKQENFSA-N 1 2 472.593 3.922 40 0 JHABLO CC[C@@H](c1nnnn1CCOC)[N@H+](Cc1ccc(F)cc1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000057640840 195354682 /nfs/dbraw/zinc/35/46/82/195354682.db2.gz LUNRSUABZJENJJ-QHCPKHFHSA-N 1 2 464.545 3.762 40 0 JHABLO CC[C@@H](c1nnnn1CCOC)[N@@H+](Cc1ccc(F)cc1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000057640840 195354685 /nfs/dbraw/zinc/35/46/85/195354685.db2.gz LUNRSUABZJENJJ-QHCPKHFHSA-N 1 2 464.545 3.762 40 0 JHABLO CC[C@H](c1nnnn1CCOC)[N@H+](Cc1ccc(C)cc1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000057640795 195354761 /nfs/dbraw/zinc/35/47/61/195354761.db2.gz USSIGPOMOPWBEE-XMMPIXPASA-N 1 2 460.582 3.931 40 0 JHABLO CC[C@H](c1nnnn1CCOC)[N@@H+](Cc1ccc(C)cc1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000057640795 195354763 /nfs/dbraw/zinc/35/47/63/195354763.db2.gz USSIGPOMOPWBEE-XMMPIXPASA-N 1 2 460.582 3.931 40 0 JHABLO CC[C@@H](c1nnnn1CCOC)[N@H+](Cc1ccc(C)cc1)Cc1cc2ccc(OC)cc2[nH]c1=O ZINC000057641193 195355067 /nfs/dbraw/zinc/35/50/67/195355067.db2.gz VZVDCEPJWLFZAF-DEOSSOPVSA-N 1 2 476.581 3.632 40 0 JHABLO CC[C@@H](c1nnnn1CCOC)[N@@H+](Cc1ccc(C)cc1)Cc1cc2ccc(OC)cc2[nH]c1=O ZINC000057641193 195355070 /nfs/dbraw/zinc/35/50/70/195355070.db2.gz VZVDCEPJWLFZAF-DEOSSOPVSA-N 1 2 476.581 3.632 40 0 JHABLO CCOc1ccc2[nH]c(=O)c([C@H](c3nnnn3Cc3ccccc3)[N@@H+]3CCC[C@@H](C)C3)cc2c1 ZINC000012466187 521285870 /nfs/dbraw/zinc/28/58/70/521285870.db2.gz JGWYDEYGIZZFEH-HOYKHHGWSA-N 1 2 458.566 3.783 40 0 JHABLO CCOc1ccc2[nH]c(=O)c([C@H](c3nnnn3Cc3ccccc3)[N@H+]3CCC[C@@H](C)C3)cc2c1 ZINC000012466187 521285880 /nfs/dbraw/zinc/28/58/80/521285880.db2.gz JGWYDEYGIZZFEH-HOYKHHGWSA-N 1 2 458.566 3.783 40 0 JHABLO Cc1cc(C[C@@H](O)CN2CC[NH+](C[C@H](O)COc3ccc(Cl)c(C)c3)CC2)ccc1Cl ZINC000027530962 524828158 /nfs/dbraw/zinc/82/81/58/524828158.db2.gz ZMUXPASZAVFSHP-RTWAWAEBSA-N 1 2 467.437 3.571 40 0 JHABLO CS(=O)(=O)N(Cc1ccccc1)c1ccc(C(=O)NCc2ccccc2-n2cc[nH+]c2)cc1 ZINC000022512107 525155748 /nfs/dbraw/zinc/15/57/48/525155748.db2.gz WAIINXFGFHLWIJ-UHFFFAOYSA-N 1 2 460.559 3.769 40 0 JHABLO Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NCc3ccccc3-n3cc[nH+]c3)cc2)cc1 ZINC000020485167 525498317 /nfs/dbraw/zinc/49/83/17/525498317.db2.gz CUPIYCVCRCCDKT-UHFFFAOYSA-N 1 2 460.559 3.936 40 0 JHABLO O=C(CSc1nnc(CCc2[nH]c3ccccc3[nH+]2)n1-c1ccccc1)NCc1ccco1 ZINC000000924635 553859944 /nfs/dbraw/zinc/85/99/44/553859944.db2.gz VUAUUHBVOHBNMC-UHFFFAOYSA-N 1 2 458.547 3.930 40 0 JHABLO CCc1ccc2[nH]c(=O)c([C@H](c3nnnn3CCOC)[NH+]3CCC(Cc4ccccc4)CC3)cc2c1 ZINC000006198265 554519430 /nfs/dbraw/zinc/51/94/30/554519430.db2.gz VUIBDNAYZAQNDM-AREMUKBSSA-N 1 2 486.620 3.768 40 0 JHABLO CC[C@H](c1nnnn1Cc1ccc(F)cc1)[N@H+](CCCO)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013496011 555410456 /nfs/dbraw/zinc/41/04/56/555410456.db2.gz HUKWINWUURCIAM-HSZRJFAPSA-N 1 2 478.572 3.655 40 0 JHABLO CC[C@H](c1nnnn1Cc1ccc(F)cc1)[N@@H+](CCCO)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013496011 555410458 /nfs/dbraw/zinc/41/04/58/555410458.db2.gz HUKWINWUURCIAM-HSZRJFAPSA-N 1 2 478.572 3.655 40 0 JHABLO CCc1ccc2[nH]c(=O)c(C[N@H+](CCCO)[C@@H](c3nnnn3C3CCCC3)C(C)C)cc2c1 ZINC000013498465 555420779 /nfs/dbraw/zinc/42/07/79/555420779.db2.gz WTPNTSIZNKDSHS-HSZRJFAPSA-N 1 2 452.603 3.774 40 0 JHABLO CCc1ccc2[nH]c(=O)c(C[N@@H+](CCCO)[C@@H](c3nnnn3C3CCCC3)C(C)C)cc2c1 ZINC000013498465 555420781 /nfs/dbraw/zinc/42/07/81/555420781.db2.gz WTPNTSIZNKDSHS-HSZRJFAPSA-N 1 2 452.603 3.774 40 0 JHABLO COCCn1nnnc1[C@@H](C(C)C)[N@H+](Cc1cccs1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000013498595 555422546 /nfs/dbraw/zinc/42/25/46/555422546.db2.gz OHCJWESEWDPEAB-JOCHJYFZSA-N 1 2 466.611 3.930 40 0 JHABLO COCCn1nnnc1[C@@H](C(C)C)[N@@H+](Cc1cccs1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000013498595 555422550 /nfs/dbraw/zinc/42/25/50/555422550.db2.gz OHCJWESEWDPEAB-JOCHJYFZSA-N 1 2 466.611 3.930 40 0 JHABLO Cc1cc2cc(C[N@@H+](C[C@@H]3CCCO3)[C@H](c3nnnn3C[C@@H]3CCCO3)C(C)C)c(=O)[nH]c2cc1C ZINC000013498901 555426020 /nfs/dbraw/zinc/42/60/20/555426020.db2.gz SNAPQADSODYHIU-LSQMVHIFSA-N 1 2 494.640 3.689 40 0 JHABLO Cc1cc2cc(C[N@H+](C[C@@H]3CCCO3)[C@H](c3nnnn3C[C@@H]3CCCO3)C(C)C)c(=O)[nH]c2cc1C ZINC000013498901 555426022 /nfs/dbraw/zinc/42/60/22/555426022.db2.gz SNAPQADSODYHIU-LSQMVHIFSA-N 1 2 494.640 3.689 40 0 JHABLO Cc1cc2cc(C[N@@H+](CCO)[C@H](c3nnnn3CCc3ccccc3)C(C)C)c(=O)[nH]c2cc1C ZINC000013498939 555426310 /nfs/dbraw/zinc/42/63/10/555426310.db2.gz DGSQQIJMVUSXTH-VWLOTQADSA-N 1 2 474.609 3.566 40 0 JHABLO Cc1cc2cc(C[N@H+](CCO)[C@H](c3nnnn3CCc3ccccc3)C(C)C)c(=O)[nH]c2cc1C ZINC000013498939 555426311 /nfs/dbraw/zinc/42/63/11/555426311.db2.gz DGSQQIJMVUSXTH-VWLOTQADSA-N 1 2 474.609 3.566 40 0 JHABLO CCC[C@@H](c1nnnn1C1CCCC1)[N@H+](CCCO)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000013499512 555432298 /nfs/dbraw/zinc/43/22/98/555432298.db2.gz ZWXIWXWOZPABNA-QHCPKHFHSA-N 1 2 452.603 3.972 40 0 JHABLO CCC[C@@H](c1nnnn1C1CCCC1)[N@@H+](CCCO)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000013499512 555432299 /nfs/dbraw/zinc/43/22/99/555432299.db2.gz ZWXIWXWOZPABNA-QHCPKHFHSA-N 1 2 452.603 3.972 40 0 JHABLO CC(C)C[C@H](c1nnnn1C[C@@H]1CCCO1)[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000013504338 555463269 /nfs/dbraw/zinc/46/32/69/555463269.db2.gz FDBKSYLIJIQCBT-VQTJNVASSA-N 1 2 452.525 3.780 40 0 JHABLO CCCC[C@H](c1nnnn1C[C@H]1CCCO1)[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000013504336 555463286 /nfs/dbraw/zinc/46/32/86/555463286.db2.gz OVAXHLSCAMWCRY-WOJBJXKFSA-N 1 2 452.525 3.924 40 0 JHABLO COc1ccc(CCn2nnnc2[C@H](CC(C)C)[NH+]2CCN(c3ccccc3F)CC2)cc1OC ZINC000013505578 555467383 /nfs/dbraw/zinc/46/73/83/555467383.db2.gz UAKNARUJVGYTJZ-QHCPKHFHSA-N 1 2 482.604 3.982 40 0 JHABLO CCOc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(-n3cc[nH+]c3)cc2)c2ccccc2)cc1 ZINC000020048047 555618262 /nfs/dbraw/zinc/61/82/62/555618262.db2.gz QTANNCVZCCAXGH-UHFFFAOYSA-N 1 2 490.585 3.783 40 0 JHABLO Cc1cc2cc([C@H](c3nnnn3C3CCCC3)N3CC[NH+](Cc4cccnc4)CC3)c(=O)[nH]c2cc1C ZINC000020083739 555631339 /nfs/dbraw/zinc/63/13/39/555631339.db2.gz FPEFLRFTXWTLGM-AREMUKBSSA-N 1 2 498.635 3.549 40 0 JHABLO Fc1ccccc1[C@H](c1nnnn1C1CCCC1)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000022928679 555979760 /nfs/dbraw/zinc/97/97/60/555979760.db2.gz DEIBGSQYEIGYBL-XMMPIXPASA-N 1 2 464.545 3.563 40 0 JHABLO CCC(C)(C)n1nnnc1[C@H](c1ccc(F)cc1)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000022928761 555980191 /nfs/dbraw/zinc/98/01/91/555980191.db2.gz WQOUNCLFADYAQG-QHCPKHFHSA-N 1 2 466.561 3.593 40 0 JHABLO COc1ccc([C@H](c2nnnn2Cc2cccs2)N2CC[NH+](Cc3ccccc3OC)CC2)cc1 ZINC000022929793 555982348 /nfs/dbraw/zinc/98/23/48/555982348.db2.gz LKBUMACFFYIDRT-RUZDIDTESA-N 1 2 490.633 3.707 40 0 JHABLO COc1ccc([C@@H](c2nnnn2Cc2cccs2)N2CC[NH+](Cc3ccccc3OC)CC2)cc1 ZINC000022929795 555982362 /nfs/dbraw/zinc/98/23/62/555982362.db2.gz LKBUMACFFYIDRT-VWLOTQADSA-N 1 2 490.633 3.707 40 0 JHABLO Cc1cc(Cl)ccc1C[C@H](O)CN1CC[NH+](C[C@@H](O)COc2ccc(Cl)cc2C)CC1 ZINC000027530951 556291414 /nfs/dbraw/zinc/29/14/14/556291414.db2.gz HOMAWCZWSDXOJZ-XZOQPEGZSA-N 1 2 467.437 3.571 40 0 JHABLO O=C(Nc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1)c1cccc(C[NH+]2CCOCC2)c1 ZINC000030851480 556377462 /nfs/dbraw/zinc/37/74/62/556377462.db2.gz OUQOLBAFVCMNIS-UHFFFAOYSA-N 1 2 469.538 3.711 40 0 JHABLO Cc1ccc(C)c(NC(=O)CSC2=[NH+][C@H]3CS(=O)(=O)C[C@@H]3N2Cc2ccc(Cl)cc2)c1 ZINC000032640230 556461262 /nfs/dbraw/zinc/46/12/62/556461262.db2.gz POEYMZOGUVLEGC-PMACEKPBSA-N 1 2 478.039 3.666 40 0 JHABLO COC(=O)COc1ccc(S(=O)(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1C ZINC000034718839 569652334 /nfs/dbraw/zinc/65/23/34/569652334.db2.gz MVHYKFIUYLJRAW-UHFFFAOYSA-N 1 2 494.613 3.643 40 0 JHABLO Cc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)NCc2ccccc2C[NH+]2CCOCC2)cc1 ZINC000222985875 569896178 /nfs/dbraw/zinc/89/61/78/569896178.db2.gz CDXOTRRUJQQQPW-UQQQWYQISA-N 1 2 459.546 3.508 40 0 JHABLO S=C1N[C@@H](c2ccccn2)[C@@H](c2cccn2-c2cccc(Cl)c2)N1CC[NH+]1CCOCC1 ZINC000223132393 569900534 /nfs/dbraw/zinc/90/05/34/569900534.db2.gz QZDKXYRHDYOXPT-XZOQPEGZSA-N 1 2 468.026 3.830 40 0 JHABLO Cc1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2CC[NH+]2CCOCC2)cc1C ZINC000223154746 569901332 /nfs/dbraw/zinc/90/13/32/569901332.db2.gz LUGCPGFKEGCCFV-JWQCQUIFSA-N 1 2 461.635 3.794 40 0 JHABLO Cc1ccccc1-n1cccc1[C@H]1[C@@H](c2ccccn2)NC(=S)N1CCC[NH+]1CCOCC1 ZINC000223193588 569902834 /nfs/dbraw/zinc/90/28/34/569902834.db2.gz ORFLCAASMJHVSB-RPBOFIJWSA-N 1 2 461.635 3.876 40 0 JHABLO COc1ccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2CCC[NH+]2CCOCC2)cc1 ZINC000223196136 569902963 /nfs/dbraw/zinc/90/29/63/569902963.db2.gz MSWNZTPJRMEYRV-DQEYMECFSA-N 1 2 477.634 3.576 40 0 JHABLO Fc1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC[NH+]2CCOCC2)cc1 ZINC000223194968 569902978 /nfs/dbraw/zinc/90/29/78/569902978.db2.gz JLVCTLICXOQGDS-DNQXCXABSA-N 1 2 465.598 3.706 40 0 JHABLO CCOc1ccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2CCC[NH+]2CCOCC2)cc1 ZINC000223196628 569903002 /nfs/dbraw/zinc/90/30/02/569903002.db2.gz MQHYCWGFXQSEHD-UIOOFZCWSA-N 1 2 491.661 3.966 40 0 JHABLO Cc1cccc(N(CCCC(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)S(C)(=O)=O)c1C ZINC000223668687 569919458 /nfs/dbraw/zinc/91/94/58/569919458.db2.gz MPXYALIGWTYADN-MDWZMJQESA-N 1 2 469.651 3.707 40 0 JHABLO COc1ccc(C(=O)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)cc1COc1ccccc1 ZINC000224091289 569933031 /nfs/dbraw/zinc/93/30/31/569933031.db2.gz TVOGZLSIQOWJDF-UHFFFAOYSA-N 1 2 460.530 3.961 40 0 JHABLO Cc1cccc(NS(=O)(=O)c2cc(C(=O)NCc3cccc(C[NH+]4CCOCC4)c3)ccc2C)c1 ZINC000224723057 569954769 /nfs/dbraw/zinc/95/47/69/569954769.db2.gz VKZMKKMWRCHTCF-UHFFFAOYSA-N 1 2 493.629 3.866 40 0 JHABLO CSc1ccc(S(=O)(=O)Nc2ccc([NH+]3CCCCC3)cc2)cc1C(=O)N1CCOCC1 ZINC000224963934 569965504 /nfs/dbraw/zinc/96/55/04/569965504.db2.gz BTVVNIGXKDEEHN-UHFFFAOYSA-N 1 2 475.636 3.672 40 0 JHABLO C[NH+]1CCN(S(=O)(=O)c2cc(C(=O)Nc3ccc(N4CCCCC4)cc3)ccc2Cl)CC1 ZINC000224970671 569966025 /nfs/dbraw/zinc/96/60/25/569966025.db2.gz VGEACWZAEAIYPA-UHFFFAOYSA-N 1 2 477.030 3.519 40 0 JHABLO CSc1nc2sc(C(=O)N3CC[NH+](Cc4ccccc4)CC3)cc2c(N2CCCC2)n1 ZINC000408636932 569987080 /nfs/dbraw/zinc/98/70/80/569987080.db2.gz WHMBADAGWCDEHS-UHFFFAOYSA-N 1 2 453.637 3.971 40 0 JHABLO CC[N@H+](Cc1ccccc1)[C@H](c1nnnn1C[C@H]1CCCO1)c1cc2ccc(OC)cc2[nH]c1=O ZINC000253500019 570101255 /nfs/dbraw/zinc/10/12/55/570101255.db2.gz VDYGQYRQSATESL-QPPBQGQZSA-N 1 2 474.565 3.726 40 0 JHABLO CC[N@@H+](Cc1ccccc1)[C@H](c1nnnn1C[C@H]1CCCO1)c1cc2ccc(OC)cc2[nH]c1=O ZINC000253500019 570101256 /nfs/dbraw/zinc/10/12/56/570101256.db2.gz VDYGQYRQSATESL-QPPBQGQZSA-N 1 2 474.565 3.726 40 0 JHABLO CC(=O)N1CCC(Cc2cccc(F)c2)(C(=O)N2CCC[C@@H]2c2cc[nH+]c(N(C)C)c2)CC1 ZINC000257224061 570115303 /nfs/dbraw/zinc/11/53/03/570115303.db2.gz FAEAYKITSJDDIN-HSZRJFAPSA-N 1 2 452.574 3.822 40 0 JHABLO O=C(N1CCOC[C@@H](Cc2ccc3[nH+]ccn3c2)C1)C1(c2ccc(Cl)cc2)CCOCC1 ZINC000257243526 570121178 /nfs/dbraw/zinc/12/11/78/570121178.db2.gz IHKFXBYTUYCPBY-FQEVSTJZSA-N 1 2 453.970 3.754 40 0 JHABLO CCCc1ccc(C[N@@H+]2CCO[C@](COc3ccc(Cl)cc3)(CC(=O)N3CCOCC3)C2)o1 ZINC000257258788 570125810 /nfs/dbraw/zinc/12/58/10/570125810.db2.gz KVONOXWPJZYECT-RUZDIDTESA-N 1 2 477.001 3.784 40 0 JHABLO CCCc1ccc(C[N@H+]2CCO[C@](COc3ccc(Cl)cc3)(CC(=O)N3CCOCC3)C2)o1 ZINC000257258788 570125811 /nfs/dbraw/zinc/12/58/11/570125811.db2.gz KVONOXWPJZYECT-RUZDIDTESA-N 1 2 477.001 3.784 40 0 JHABLO O=C(C[N@H+]1C[C@@H](c2ccc(F)c(F)c2)[C@]2(C1)CCCC(=O)N2)Nc1cccc2c1CCCC2 ZINC000257294618 570136780 /nfs/dbraw/zinc/13/67/80/570136780.db2.gz QUYOHXRSRJCBSC-RXFWQSSRSA-N 1 2 453.533 3.920 40 0 JHABLO O=C(C[N@@H+]1C[C@@H](c2ccc(F)c(F)c2)[C@]2(C1)CCCC(=O)N2)Nc1cccc2c1CCCC2 ZINC000257294618 570136781 /nfs/dbraw/zinc/13/67/81/570136781.db2.gz QUYOHXRSRJCBSC-RXFWQSSRSA-N 1 2 453.533 3.920 40 0 JHABLO O=C(CCn1cc[nH+]c1)N1CC[C@H](Oc2cccc(Cl)c2)[C@@H](CC(=O)N2CCCCC2)C1 ZINC000257295748 570137141 /nfs/dbraw/zinc/13/71/41/570137141.db2.gz QZRNGHHVXQAOJZ-UGKGYDQZSA-N 1 2 458.990 3.625 40 0 JHABLO CCCn1cc(C[N@@H+]2CCO[C@](COc3ccc(Cl)cc3)(CC(=O)N3CCCCC3)C2)cn1 ZINC000257296198 570137311 /nfs/dbraw/zinc/13/73/11/570137311.db2.gz RBRMFOWYFWBBIG-RUZDIDTESA-N 1 2 475.033 3.999 40 0 JHABLO CCCn1cc(C[N@H+]2CCO[C@](COc3ccc(Cl)cc3)(CC(=O)N3CCCCC3)C2)cn1 ZINC000257296198 570137313 /nfs/dbraw/zinc/13/73/13/570137313.db2.gz RBRMFOWYFWBBIG-RUZDIDTESA-N 1 2 475.033 3.999 40 0 JHABLO Cc1ccc(NC(=O)C[NH+]2CCC3(CC2)CN(S(=O)(=O)CC(C)C)CC(C)(C)C3)cc1F ZINC000257322827 570145350 /nfs/dbraw/zinc/14/53/50/570145350.db2.gz WHOONNIWBAQRIR-UHFFFAOYSA-N 1 2 467.651 3.873 40 0 JHABLO CCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N[C@@H]2c1cc(Br)c(O)c(OC)c1 ZINC000261362625 570167707 /nfs/dbraw/zinc/16/77/07/570167707.db2.gz MHXSAMQWCZHZSB-KRWDZBQOSA-O 1 2 462.349 3.698 40 0 JHABLO CCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@@H]2c1cccc(Br)c1 ZINC000261363674 570168024 /nfs/dbraw/zinc/16/80/24/570168024.db2.gz VQENSUPCUFMCDZ-IBGZPJMESA-O 1 2 458.361 3.925 40 0 JHABLO CSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@H]2c1ccc(Br)s1 ZINC000261364211 570168438 /nfs/dbraw/zinc/16/84/38/570168438.db2.gz JZSNWPXADVJXAO-MRXNPFEDSA-O 1 2 450.363 3.596 40 0 JHABLO COc1ccc(-n2ncc3c2nc[nH+]c3SCC(=O)Nc2cc(OC)ccc2OC)cc1 ZINC000001346617 194099111 /nfs/dbraw/zinc/09/91/11/194099111.db2.gz UMMWSYFGVFTMAR-UHFFFAOYSA-N 1 2 451.508 3.572 40 0 JHABLO COc1ccc2nc(NC(=O)C[NH+]3CCC(NC(=O)Nc4ccc(F)cc4)CC3)sc2c1 ZINC000012644558 195073350 /nfs/dbraw/zinc/07/33/50/195073350.db2.gz VFVBVWNERXGYGY-UHFFFAOYSA-N 1 2 457.531 3.669 40 0 JHABLO CCc1ccc2[nH]c(=O)c([C@H](c3nnnn3Cc3ccc(OC)cc3)[N@@H+]3CCC[C@@H](C)C3)cc2c1 ZINC000012710976 195094997 /nfs/dbraw/zinc/09/49/97/195094997.db2.gz ICJOGPUYDGBDQW-IQGLISFBSA-N 1 2 472.593 3.955 40 0 JHABLO CCc1ccc2[nH]c(=O)c([C@H](c3nnnn3Cc3ccc(OC)cc3)[N@H+]3CCC[C@@H](C)C3)cc2c1 ZINC000012710976 195095000 /nfs/dbraw/zinc/09/50/00/195095000.db2.gz ICJOGPUYDGBDQW-IQGLISFBSA-N 1 2 472.593 3.955 40 0 JHABLO CCC[C@]1(C(=O)OCC)[NH2+][C@@H](c2ccccc2C)[C@H]2C(=O)N(c3ccc(OCC)cc3)C(=O)[C@@H]21 ZINC000012497658 521306758 /nfs/dbraw/zinc/30/67/58/521306758.db2.gz CMJKOGCJVKPULE-GIRPNKPCSA-N 1 2 464.562 3.946 40 0 JHABLO COc1ccc(S(=O)(=O)N(CC(=O)NCc2ccccc2-n2cc[nH+]c2)c2ccc(C)cc2)cc1 ZINC000020482681 525010070 /nfs/dbraw/zinc/01/00/70/525010070.db2.gz OEUUQFFLYJPNGM-UHFFFAOYSA-N 1 2 490.585 3.701 40 0 JHABLO CS(=O)(=O)N(CC(=O)NCc1ccc(-n2cc[nH+]c2)cc1)c1ccc(OCc2ccccc2)cc1 ZINC000044880639 525149613 /nfs/dbraw/zinc/14/96/13/525149613.db2.gz UIERLUHNDWTUHZ-UHFFFAOYSA-N 1 2 490.585 3.534 40 0 JHABLO Cc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000044841762 525526909 /nfs/dbraw/zinc/52/69/09/525526909.db2.gz XKBPXZRMLGKAHW-UHFFFAOYSA-N 1 2 452.580 3.675 40 0 JHABLO COc1cccc(N(CC(=O)NCc2ccc(-n3cc[nH+]c3)cc2)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000022431051 526134090 /nfs/dbraw/zinc/13/40/90/526134090.db2.gz VUUFJMGWPYJYHC-UHFFFAOYSA-N 1 2 490.585 3.701 40 0 JHABLO CCOc1ccc2[nH]c(=O)c(CN(CC[NH+]3CCOCC3)C(=S)Nc3cccc(C)c3)cc2c1 ZINC000000884871 553823277 /nfs/dbraw/zinc/82/32/77/553823277.db2.gz ZAXVREYFVOXVSD-UHFFFAOYSA-N 1 2 480.634 3.766 40 0 JHABLO COCCn1nnnc1[C@H](c1cc2cc(C)ccc2[nH]c1=O)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000006408722 554534552 /nfs/dbraw/zinc/53/45/52/554534552.db2.gz JWKDQUHGOPTCAI-VWLOTQADSA-N 1 2 472.593 3.514 40 0 JHABLO O=c1[nH]c2cc3c(cc2cc1[C@H](c1nnnn1C1CCCCC1)[NH+]1CCCCCC1)OCCO3 ZINC000006445223 554539556 /nfs/dbraw/zinc/53/95/56/554539556.db2.gz XTVRXMKAZFARRY-HSZRJFAPSA-N 1 2 464.570 3.756 40 0 JHABLO CC[C@@H](c1nnnn1C(C)(C)CC)[N@@H+](Cc1cc2cc3c(cc2[nH]c1=O)OCO3)C[C@@H]1CCCO1 ZINC000013495545 555408190 /nfs/dbraw/zinc/40/81/90/555408190.db2.gz LHHPGJDXZWUQNR-ICSRJNTNSA-N 1 2 482.585 3.521 40 0 JHABLO CC[C@@H](c1nnnn1C(C)(C)CC)[N@H+](Cc1cc2cc3c(cc2[nH]c1=O)OCO3)C[C@@H]1CCCO1 ZINC000013495545 555408191 /nfs/dbraw/zinc/40/81/91/555408191.db2.gz LHHPGJDXZWUQNR-ICSRJNTNSA-N 1 2 482.585 3.521 40 0 JHABLO COCCn1nnnc1[C@@H](C(C)C)[N@H+](Cc1cccs1)Cc1cc2ccc(OC)cc2[nH]c1=O ZINC000013498774 555424840 /nfs/dbraw/zinc/42/48/40/555424840.db2.gz RUXDARKBHZYPAH-JOCHJYFZSA-N 1 2 482.610 3.631 40 0 JHABLO COCCn1nnnc1[C@@H](C(C)C)[N@@H+](Cc1cccs1)Cc1cc2ccc(OC)cc2[nH]c1=O ZINC000013498774 555424843 /nfs/dbraw/zinc/42/48/43/555424843.db2.gz RUXDARKBHZYPAH-JOCHJYFZSA-N 1 2 482.610 3.631 40 0 JHABLO CCC[C@H](c1nnnn1CCOC)[N@H+](Cc1ccc(F)cc1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000013499361 555431015 /nfs/dbraw/zinc/43/10/15/555431015.db2.gz KTDUMCQRFJBCIW-XMMPIXPASA-N 1 2 494.571 3.852 40 0 JHABLO CCC[C@H](c1nnnn1CCOC)[N@@H+](Cc1ccc(F)cc1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000013499361 555431019 /nfs/dbraw/zinc/43/10/19/555431019.db2.gz KTDUMCQRFJBCIW-XMMPIXPASA-N 1 2 494.571 3.852 40 0 JHABLO CCC[C@@H](c1nnnn1Cc1ccc(OC)cc1)[N@H+](CCCO)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013501029 555446228 /nfs/dbraw/zinc/44/62/28/555446228.db2.gz VEZIQYSSWCJHRO-VWLOTQADSA-N 1 2 490.608 3.606 40 0 JHABLO CCC[C@@H](c1nnnn1Cc1ccc(OC)cc1)[N@@H+](CCCO)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013501029 555446229 /nfs/dbraw/zinc/44/62/29/555446229.db2.gz VEZIQYSSWCJHRO-VWLOTQADSA-N 1 2 490.608 3.606 40 0 JHABLO CCC[C@H](c1nnnn1Cc1ccccc1)[N@H+](CCCO)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013501024 555446300 /nfs/dbraw/zinc/44/63/00/555446300.db2.gz JLXZVQIZWAJZEZ-XMMPIXPASA-N 1 2 460.582 3.597 40 0 JHABLO CCC[C@H](c1nnnn1Cc1ccccc1)[N@@H+](CCCO)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013501024 555446301 /nfs/dbraw/zinc/44/63/01/555446301.db2.gz JLXZVQIZWAJZEZ-XMMPIXPASA-N 1 2 460.582 3.597 40 0 JHABLO CCOC(=O)[C@@H]1[C@H](c2ccc(OC)c(O)c2)c2cc3c(cc2O[C@@]1(C)[NH+]1CCCC1)OCO3 ZINC000031772122 556403018 /nfs/dbraw/zinc/40/30/18/556403018.db2.gz XXXMYHVZBRTHKQ-GIFXNVAJSA-N 1 2 455.507 3.645 40 0 JHABLO Cn1cc[nH+]c1CN1C[C@@H]2C[C@H]1C(=O)N(Cc1ccc(OC(F)(F)F)cc1)c1ccccc1O2 ZINC000096111966 560061112 /nfs/dbraw/zinc/06/11/12/560061112.db2.gz CTCSUEXPEGLLBW-ICSRJNTNSA-N 1 2 472.467 3.887 40 0 biogenic,in-vitro JHABLO COCCNc1ncccc1-c1noc([C@@H]2CCC[N@@H+]2Cc2cc(OC)c(OC)c(OC)c2)n1 ZINC000035424924 560080401 /nfs/dbraw/zinc/08/04/01/560080401.db2.gz GLCGGCKCOOSGEG-SFHVURJKSA-N 1 2 469.542 3.553 40 0 biogenic,in-vitro JHABLO COCCNc1ncccc1-c1noc([C@@H]2CCC[N@H+]2Cc2cc(OC)c(OC)c(OC)c2)n1 ZINC000035424924 560080402 /nfs/dbraw/zinc/08/04/02/560080402.db2.gz GLCGGCKCOOSGEG-SFHVURJKSA-N 1 2 469.542 3.553 40 0 biogenic,in-vitro JHABLO Cc1ccc2[nH]c(=O)c(C[N@@H+](C[C@H]3CCCO3)[C@@H](c3nnnn3Cc3ccco3)C(C)C)cc2c1 ZINC000033937329 569638780 /nfs/dbraw/zinc/63/87/80/569638780.db2.gz WQGBETFMBDQVFW-ZJSXRUAMSA-N 1 2 476.581 3.843 40 0 JHABLO Cc1ccc2[nH]c(=O)c(C[N@H+](C[C@H]3CCCO3)[C@@H](c3nnnn3Cc3ccco3)C(C)C)cc2c1 ZINC000033937329 569638781 /nfs/dbraw/zinc/63/87/81/569638781.db2.gz WQGBETFMBDQVFW-ZJSXRUAMSA-N 1 2 476.581 3.843 40 0 JHABLO CC(C)n1c[nH+]c2c1[C@H](C(=O)N1CCN(c3ccccc3)CC1)N(C(=O)c1ccccc1)CC2 ZINC000096147284 569736574 /nfs/dbraw/zinc/73/65/74/569736574.db2.gz JULNEHWZCHOXNI-RUZDIDTESA-N 1 2 457.578 3.552 40 0 JHABLO COC(=O)[C@@]1(Cc2ccccc2)[NH2+][C@@H](c2ccccc2C)[C@H]2C(=O)N(c3cccc(C(C)=O)c3)C(=O)[C@H]21 ZINC000100422251 569759887 /nfs/dbraw/zinc/75/98/87/569759887.db2.gz GFNLWRVFGHIACM-OKUYAMHMSA-N 1 2 496.563 3.802 40 0 JHABLO COc1ccc(-c2cnn3c2ncc(C(=O)N2CC[NH+](Cc4ccccc4)CC2)c3C)cc1OC ZINC000038829691 569808451 /nfs/dbraw/zinc/80/84/51/569808451.db2.gz PGPGBVVKSUTAJT-UHFFFAOYSA-N 1 2 471.561 3.680 40 0 JHABLO Cc1cccc(NS(=O)(=O)c2ccc(NC(=O)c3cccc(C[NH+]4CCOCC4)c3)cc2)c1 ZINC000216356224 569878467 /nfs/dbraw/zinc/87/84/67/569878467.db2.gz IXRDRNZVTZYSBO-UHFFFAOYSA-N 1 2 465.575 3.880 40 0 JHABLO CCC1(CC)C[C@@H](NC(=O)c2cc(S(=O)(=O)N3CC[NH+](C)CC3)ccc2C)c2ccccc2O1 ZINC000222668676 569888075 /nfs/dbraw/zinc/88/80/75/569888075.db2.gz UZMCZIHOTMDREN-HSZRJFAPSA-N 1 2 485.650 3.744 40 0 JHABLO Fc1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC[NH+]2CCOCC2)cc1 ZINC000223195071 569902954 /nfs/dbraw/zinc/90/29/54/569902954.db2.gz JLVCTLICXOQGDS-BJKOFHAPSA-N 1 2 465.598 3.706 40 0 JHABLO CC(C)C(=O)N(Cc1ccc(Cl)cc1)[C@H](C(=O)NCC[NH+]1CCOCC1)c1ccccc1 ZINC000223420378 569910696 /nfs/dbraw/zinc/91/06/96/569910696.db2.gz NZSDELFPMALMJJ-QHCPKHFHSA-N 1 2 458.002 3.514 40 0 JHABLO O=C(CN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1)NCCCn1cc[nH+]c1 ZINC000408601491 569969147 /nfs/dbraw/zinc/96/91/47/569969147.db2.gz ACTROJHKDBNRGS-UHFFFAOYSA-N 1 2 467.378 3.592 40 0 JHABLO CS(=O)(=O)N(CC(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1)Cc1ccc(Cl)c(Cl)c1 ZINC000408617419 569976152 /nfs/dbraw/zinc/97/61/52/569976152.db2.gz BAGUMXGRCIPRKG-VMPITWQZSA-N 1 2 496.460 3.613 40 0 JHABLO Cc1ccc(NC(=O)CSCc2ccc(Cl)cc2F)cc1S(=O)(=O)N1CC[NH+](C)CC1 ZINC000225161860 569979247 /nfs/dbraw/zinc/97/92/47/569979247.db2.gz UGVCGPXKJFJPJW-UHFFFAOYSA-N 1 2 486.034 3.596 40 0 JHABLO O=C(CN(Cc1ccccc1Cl)S(=O)(=O)c1ccc(Cl)cc1)NCCCn1cc[nH+]c1 ZINC000408625538 569980237 /nfs/dbraw/zinc/98/02/37/569980237.db2.gz XHBCPAPCHYKMSH-UHFFFAOYSA-N 1 2 481.405 3.587 40 0 JHABLO O=C(c1ccccc1C[NH+]1CCOCC1)N1CCC[C@]2(C[C@@H](Oc3ccc(F)cc3)CO2)C1 ZINC000257236110 570118899 /nfs/dbraw/zinc/11/88/99/570118899.db2.gz HAUSVOCBSGSAOT-BVAGGSTKSA-N 1 2 454.542 3.501 40 0 JHABLO O=C(c1ccccc1OCC[NH+]1CCOCC1)N1CCC[C@@H](Cc2cccn3nccc23)CC1 ZINC000257276314 570131442 /nfs/dbraw/zinc/13/14/42/570131442.db2.gz NTEBZYBGHLULPW-JOCHJYFZSA-N 1 2 462.594 3.530 40 0 JHABLO Cc1ccc(C(=O)N2CCOC[C@@H](Cc3ccc4[nH+]ccn4c3)C2)cc1NCc1cccnc1 ZINC000257330515 570147632 /nfs/dbraw/zinc/14/76/32/570147632.db2.gz XOSWBJCHUDKLCJ-QHCPKHFHSA-N 1 2 455.562 3.981 40 0 JHABLO O=C(C[C@]1(COc2ccc(Cl)cc2)C[N@H+](Cc2cccc(Cl)c2)CCO1)N1CCOCC1 ZINC000257342571 570151101 /nfs/dbraw/zinc/15/11/01/570151101.db2.gz ZPGUMSCKRROFMW-XMMPIXPASA-N 1 2 479.404 3.892 40 0 JHABLO O=C(C[C@]1(COc2ccc(Cl)cc2)C[N@@H+](Cc2cccc(Cl)c2)CCO1)N1CCOCC1 ZINC000257342571 570151102 /nfs/dbraw/zinc/15/11/02/570151102.db2.gz ZPGUMSCKRROFMW-XMMPIXPASA-N 1 2 479.404 3.892 40 0 JHABLO COc1ccc(Br)c([C@H]2N(C(C)=O)c3ccccc3-c3c(=O)[nH]c(SC)n[n+]32)c1 ZINC000261361748 570167431 /nfs/dbraw/zinc/16/74/31/570167431.db2.gz BUXUCRRMKVZMCK-IBGZPJMESA-O 1 2 474.360 3.543 40 0 JHABLO CCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@@H]2c1ccc(Br)s1 ZINC000261361911 570167444 /nfs/dbraw/zinc/16/74/44/570167444.db2.gz DEDHMZFNLWAPSW-KRWDZBQOSA-O 1 2 464.390 3.986 40 0 JHABLO CCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@@H]2c1ccc(Br)cc1 ZINC000261363211 570167846 /nfs/dbraw/zinc/16/78/46/570167846.db2.gz GMLOADDTZSTWKA-IBGZPJMESA-O 1 2 458.361 3.925 40 0 JHABLO CCCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@@H]2c1cc(OC)ccc1OC(C)=O ZINC000261364181 570168394 /nfs/dbraw/zinc/16/83/94/570168394.db2.gz JTEQNIZKNWOILO-DEOSSOPVSA-O 1 2 495.581 3.876 40 0 JHABLO C[C@@H](CO)Nc1nc(NCc2cc(F)cc(F)c2)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000328982531 570180575 /nfs/dbraw/zinc/18/05/75/570180575.db2.gz HBGPFYLYYBWBSS-LBPRGKRZSA-N 1 2 454.399 3.569 40 0 JHABLO CC(C)[C@H](CO)Nc1nc(NCCc2ccncc2)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000329064722 570183601 /nfs/dbraw/zinc/18/36/01/570183601.db2.gz XMRSDZNLHKVLMM-FQEVSTJZSA-N 1 2 461.488 4.521 40 0 JHABLO COc1ccc(-n2ncc3c2nc[nH+]c3SCC(=O)Nc2ccc(OC)cc2OC)cc1 ZINC000001346614 194099186 /nfs/dbraw/zinc/09/91/86/194099186.db2.gz WPQSNAFBDUYZLT-UHFFFAOYSA-N 1 2 451.508 3.572 40 0 JHABLO CC[C@H](c1nnnn1C[C@@H]1CCCO1)[N@H+](Cc1cccs1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000057641015 195355076 /nfs/dbraw/zinc/35/50/76/195355076.db2.gz KPNPYHWRSWJQTI-NZQKXSOJSA-N 1 2 494.621 3.917 40 0 JHABLO CC[C@H](c1nnnn1C[C@@H]1CCCO1)[N@@H+](Cc1cccs1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000057641015 195355079 /nfs/dbraw/zinc/35/50/79/195355079.db2.gz KPNPYHWRSWJQTI-NZQKXSOJSA-N 1 2 494.621 3.917 40 0 JHABLO COc1cc2cc([C@H](c3nnnn3C3CCCCC3)[NH+]3CCCCC3)c(=O)[nH]c2cc1OC ZINC000006239520 523057815 /nfs/dbraw/zinc/05/78/15/523057815.db2.gz RSQZKJIPFJKQLP-JOCHJYFZSA-N 1 2 452.559 3.612 40 0 JHABLO COc1ccc(C(=O)N2C[C@H]3C[C@@H](C2)Cn2c3ccc(-c3ccccc3C[NH+]3CCOCC3)c2=O)cc1 ZINC000020503602 523673032 /nfs/dbraw/zinc/67/30/32/523673032.db2.gz RKNJRGLVPHXAGS-XUZZJYLKSA-N 1 2 499.611 3.616 40 0 biogenic,in-vitro JHABLO CS(=O)(=O)N(CC(=O)NCc1ccc(-n2cc[nH+]c2)cc1)c1ccc(Oc2ccccc2)cc1 ZINC000020484243 525150456 /nfs/dbraw/zinc/15/04/56/525150456.db2.gz GBVRZMDVFZACOD-UHFFFAOYSA-N 1 2 476.558 3.747 40 0 JHABLO CS(=O)(=O)N(Cc1ccc(F)cc1)c1ccc(C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000020494674 525156182 /nfs/dbraw/zinc/15/61/82/525156182.db2.gz JMFZIPXJRZQSAN-UHFFFAOYSA-N 1 2 478.549 3.908 40 0 JHABLO CS(=O)(=O)N(Cc1ccccc1F)c1ccc(C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000044847933 525158445 /nfs/dbraw/zinc/15/84/45/525158445.db2.gz MCJSAPJGPAWAGY-UHFFFAOYSA-N 1 2 478.549 3.908 40 0 JHABLO COc1ccc(NC(=S)N(CC[NH+]2CCOCC2)Cc2cc3c(C)cc(C)cc3[nH]c2=O)cc1 ZINC000000874724 553811659 /nfs/dbraw/zinc/81/16/59/553811659.db2.gz NOXXLEWUVDSFLB-UHFFFAOYSA-N 1 2 480.634 3.685 40 0 JHABLO Cc1ccc(NC(=S)N(CC[NH+]2CCOCC2)Cc2cc3c(C)cc(C)cc3[nH]c2=O)cc1 ZINC000000874721 553811684 /nfs/dbraw/zinc/81/16/84/553811684.db2.gz GTSRIMFLSOUDIF-UHFFFAOYSA-N 1 2 464.635 3.985 40 0 JHABLO Cc1cc2cc(CN(CC[NH+]3CCOCC3)C(=S)Nc3ccc(F)cc3)c(=O)[nH]c2cc1C ZINC000000878867 553814829 /nfs/dbraw/zinc/81/48/29/553814829.db2.gz VQFHGSYGRBAGCD-UHFFFAOYSA-N 1 2 468.598 3.815 40 0 JHABLO COc1ccc(CC[N@H+](Cc2nnnn2C(C)(C)C)Cc2cc3cc(C)ccc3[nH]c2=O)cc1OC ZINC000000925643 553861798 /nfs/dbraw/zinc/86/17/98/553861798.db2.gz MGOCFJAURMNIFX-UHFFFAOYSA-N 1 2 490.608 3.840 40 0 JHABLO COc1ccc(CC[N@@H+](Cc2nnnn2C(C)(C)C)Cc2cc3cc(C)ccc3[nH]c2=O)cc1OC ZINC000000925643 553861799 /nfs/dbraw/zinc/86/17/99/553861799.db2.gz MGOCFJAURMNIFX-UHFFFAOYSA-N 1 2 490.608 3.840 40 0 JHABLO CC[N@H+](Cc1ccccc1)[C@H](c1nnnn1C[C@H]1CCCO1)c1cc2cc(C)c(C)cc2[nH]c1=O ZINC000001224942 553935650 /nfs/dbraw/zinc/93/56/50/553935650.db2.gz INGPIWYTORUJFE-RDGATRHJSA-N 1 2 472.593 3.922 40 0 JHABLO CC[N@@H+](Cc1ccccc1)[C@H](c1nnnn1C[C@H]1CCCO1)c1cc2cc(C)c(C)cc2[nH]c1=O ZINC000001224942 553935652 /nfs/dbraw/zinc/93/56/52/553935652.db2.gz INGPIWYTORUJFE-RDGATRHJSA-N 1 2 472.593 3.922 40 0 JHABLO COc1ccc(Cn2nnnc2[C@H](c2cc3cccc(C)c3[nH]c2=O)[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000006443833 554537970 /nfs/dbraw/zinc/53/79/70/554537970.db2.gz IVUFSLUNXILSPM-XDHUDOTRSA-N 1 2 458.566 3.701 40 0 JHABLO COc1ccc(Cn2nnnc2[C@H](c2cc3cccc(C)c3[nH]c2=O)[N@H+]2CCC[C@H](C)C2)cc1 ZINC000006443833 554537972 /nfs/dbraw/zinc/53/79/72/554537972.db2.gz IVUFSLUNXILSPM-XDHUDOTRSA-N 1 2 458.566 3.701 40 0 JHABLO O=C(CCSc1nc(-c2ccc3c(c2)OCO3)cc(C(F)(F)F)n1)NCCCn1cc[nH+]c1 ZINC000006446026 554540260 /nfs/dbraw/zinc/54/02/60/554540260.db2.gz QBEFAKIHPGWOML-UHFFFAOYSA-N 1 2 479.484 3.776 40 0 JHABLO CCOC(=O)Cn1nnnc1[C@H](CC)[N@H+](Cc1ccccc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013494662 555405448 /nfs/dbraw/zinc/40/54/48/555405448.db2.gz FYRYQRIPKYQRBU-QFIPXVFZSA-N 1 2 474.565 3.540 40 0 JHABLO CCOC(=O)Cn1nnnc1[C@H](CC)[N@@H+](Cc1ccccc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013494662 555405450 /nfs/dbraw/zinc/40/54/50/555405450.db2.gz FYRYQRIPKYQRBU-QFIPXVFZSA-N 1 2 474.565 3.540 40 0 JHABLO CC[C@H](c1nnnn1C1CCCCC1)[N@H+](CCCO)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013496007 555410489 /nfs/dbraw/zinc/41/04/89/555410489.db2.gz MWYLEPZXTMOSQZ-JOCHJYFZSA-N 1 2 452.603 3.972 40 0 JHABLO CC[C@H](c1nnnn1C1CCCCC1)[N@@H+](CCCO)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013496007 555410491 /nfs/dbraw/zinc/41/04/91/555410491.db2.gz MWYLEPZXTMOSQZ-JOCHJYFZSA-N 1 2 452.603 3.972 40 0 JHABLO CCOC(=O)Cn1nnnc1[C@@H](C(C)C)[N@H+](Cc1cccs1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013500482 555440530 /nfs/dbraw/zinc/44/05/30/555440530.db2.gz ACRQJQACHWCXBG-HSZRJFAPSA-N 1 2 494.621 3.847 40 0 JHABLO CCOC(=O)Cn1nnnc1[C@@H](C(C)C)[N@@H+](Cc1cccs1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013500482 555440532 /nfs/dbraw/zinc/44/05/32/555440532.db2.gz ACRQJQACHWCXBG-HSZRJFAPSA-N 1 2 494.621 3.847 40 0 JHABLO Cc1cc(C)c2[nH]c(=O)c(C[N@@H+](CCCO)[C@H](c3nnnn3Cc3ccc(F)cc3)C(C)C)cc2c1 ZINC000013500571 555441475 /nfs/dbraw/zinc/44/14/75/555441475.db2.gz HZVWZAUIFNMILT-VWLOTQADSA-N 1 2 492.599 3.901 40 0 JHABLO Cc1cc(C)c2[nH]c(=O)c(C[N@H+](CCCO)[C@H](c3nnnn3Cc3ccc(F)cc3)C(C)C)cc2c1 ZINC000013500571 555441477 /nfs/dbraw/zinc/44/14/77/555441477.db2.gz HZVWZAUIFNMILT-VWLOTQADSA-N 1 2 492.599 3.901 40 0 JHABLO COc1ccc(CCn2nnnc2[C@@H](CC(C)C)[NH+]2CCN(c3ccccc3OC)CC2)cc1OC ZINC000013505581 555467281 /nfs/dbraw/zinc/46/72/81/555467281.db2.gz MGMMUFNRINGGCR-HSZRJFAPSA-N 1 2 494.640 3.851 40 0 JHABLO CCOc1cc(C(=O)NC(=S)Nc2ccc(C[NH+]3CCOCC3)cc2)cc(OCC)c1OCC ZINC000020353395 555781210 /nfs/dbraw/zinc/78/12/10/555781210.db2.gz ZGWQUPYEUOKCFZ-UHFFFAOYSA-N 1 2 487.622 3.842 40 0 JHABLO CCC(C)(C)n1nnnc1[C@@H](c1ccccc1F)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000022928808 555980213 /nfs/dbraw/zinc/98/02/13/555980213.db2.gz BKVWRSVUMOJRLF-HSZRJFAPSA-N 1 2 466.561 3.593 40 0 JHABLO COc1cc([C@H]2C(C(N)=O)=C(C)[NH+]=C3N=CNN32)ccc1OCc1ccc(Cl)cc1Cl ZINC000027563738 556297506 /nfs/dbraw/zinc/29/75/06/556297506.db2.gz IZEJQTBHPHUJEG-IBGZPJMESA-N 1 2 460.321 3.600 40 0 JHABLO Cc1cc(C)c2[nH]c(=O)c([C@H](c3nnnn3C3CCCC3)N3CC[NH+](Cc4ccco4)CC3)cc2c1 ZINC000019568092 556354836 /nfs/dbraw/zinc/35/48/36/556354836.db2.gz OSTZNKLSZAKXGY-RUZDIDTESA-N 1 2 487.608 3.747 40 0 JHABLO CCc1ccc2[nH]c(=O)c(CN(CC[NH+]3CCOCC3)C(=S)N[C@H](C)c3ccccc3)cc2c1 ZINC000019822941 556392710 /nfs/dbraw/zinc/39/27/10/556392710.db2.gz PIVADSXOPNDFKZ-HXUWFJFHSA-N 1 2 478.662 3.860 40 0 JHABLO CCOC(=O)[C@@H]1[C@@H](c2cccc(OC)c2O)c2cc3c(cc2O[C@@]1(C)[NH+]1CCCC1)OCO3 ZINC000031772206 556402948 /nfs/dbraw/zinc/40/29/48/556402948.db2.gz WZSATTMCUDKXNP-WRALFONMSA-N 1 2 455.507 3.645 40 0 JHABLO Cc1ccc(NC(=O)CSC2=[NH+][C@@H]3CS(=O)(=O)C[C@@H]3N2Cc2ccc(Cl)cc2)c(C)c1 ZINC000032639969 556459387 /nfs/dbraw/zinc/45/93/87/556459387.db2.gz OOPMMZWIKHMVGO-UXHICEINSA-N 1 2 478.039 3.666 40 0 JHABLO O=C(c1ccc(F)cc1)N1CCC(O)(c2csc(C[N@@H+]3CCc4ccccc4C3)n2)CC1 ZINC000225474966 560043060 /nfs/dbraw/zinc/04/30/60/560043060.db2.gz OGBQBUULVRHYNY-UHFFFAOYSA-N 1 2 451.567 3.964 40 0 biogenic,in-vitro JHABLO O=C(c1ccc(F)cc1)N1CCC(O)(c2csc(C[N@H+]3CCc4ccccc4C3)n2)CC1 ZINC000225474966 560043061 /nfs/dbraw/zinc/04/30/61/560043061.db2.gz OGBQBUULVRHYNY-UHFFFAOYSA-N 1 2 451.567 3.964 40 0 biogenic,in-vitro JHABLO COc1ccc(CN2c3ccccc3O[C@H]3C[C@@H](C2=O)[N@H+](Cc2ccc4c(c2)OCO4)C3)cc1 ZINC000096111881 560061071 /nfs/dbraw/zinc/06/10/71/560061071.db2.gz WMCDLZVJSSOEBN-GMAHTHKFSA-N 1 2 458.514 3.993 40 0 biogenic,in-vitro JHABLO COc1ccc(CN2c3ccccc3O[C@H]3C[C@@H](C2=O)[N@@H+](Cc2ccc4c(c2)OCO4)C3)cc1 ZINC000096111881 560061073 /nfs/dbraw/zinc/06/10/73/560061073.db2.gz WMCDLZVJSSOEBN-GMAHTHKFSA-N 1 2 458.514 3.993 40 0 biogenic,in-vitro JHABLO COc1ccc(Cn2nnnc2C[N@H+](Cc2cc3cccc(C)c3[nH]c2=O)C2CCCC2)cc1 ZINC000008582533 562939722 /nfs/dbraw/zinc/93/97/22/562939722.db2.gz OJMFRUZETINIEJ-UHFFFAOYSA-N 1 2 458.566 3.825 40 0 JHABLO COc1ccc(Cn2nnnc2C[N@@H+](Cc2cc3cccc(C)c3[nH]c2=O)C2CCCC2)cc1 ZINC000008582533 562939723 /nfs/dbraw/zinc/93/97/23/562939723.db2.gz OJMFRUZETINIEJ-UHFFFAOYSA-N 1 2 458.566 3.825 40 0 JHABLO Cc1cc(C)c2cc(C[N@@H+](CCO)[C@H](c3nnnn3Cc3ccc(F)cc3)C(C)C)c(=O)[nH]c2c1 ZINC000008716828 562954784 /nfs/dbraw/zinc/95/47/84/562954784.db2.gz JDAHORHLNSAIED-DEOSSOPVSA-N 1 2 478.572 3.923 40 0 JHABLO Cc1cc(C)c2cc(C[N@H+](CCO)[C@H](c3nnnn3Cc3ccc(F)cc3)C(C)C)c(=O)[nH]c2c1 ZINC000008716828 562954786 /nfs/dbraw/zinc/95/47/86/562954786.db2.gz JDAHORHLNSAIED-DEOSSOPVSA-N 1 2 478.572 3.923 40 0 JHABLO Cc1ccc(S(=O)(=O)N2CCC[C@H]2c2ccc[nH+]c2N2CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC000072216472 569700551 /nfs/dbraw/zinc/70/05/51/569700551.db2.gz QRVJBILNYFTVCW-QFIPXVFZSA-N 1 2 486.638 3.973 40 0 JHABLO O=C1Nc2c(cccc2C(F)(F)F)[C@@]12[C@@H]1C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]1[C@H]1CCC[N@@H+]12 ZINC000100210169 569755494 /nfs/dbraw/zinc/75/54/94/569755494.db2.gz JACTYZJSKFLAHC-DBHNTLKXSA-N 1 2 475.854 3.790 40 0 JHABLO O=C1Nc2c(cccc2C(F)(F)F)[C@@]12[C@@H]1C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]1[C@H]1CCC[N@H+]12 ZINC000100210169 569755496 /nfs/dbraw/zinc/75/54/96/569755496.db2.gz JACTYZJSKFLAHC-DBHNTLKXSA-N 1 2 475.854 3.790 40 0 JHABLO C[NH+]1CCN(C(=O)c2nn3c(c2Br)N[C@@H](c2ccccc2)C[C@@H]3C(F)(F)F)CC1 ZINC000038177090 569800057 /nfs/dbraw/zinc/80/00/57/569800057.db2.gz WATDLIQOTMANPR-ZIAGYGMSSA-N 1 2 472.309 3.694 40 0 JHABLO C[C@]1(C(=O)Nc2ccc(F)nc2)CCCN1c1nc(Nc2cc(C3CC3)[nH]n2)c2cccn2[nH+]1 ZINC000145213336 569867807 /nfs/dbraw/zinc/86/78/07/569867807.db2.gz LQVXSNNAFNGRAH-HSZRJFAPSA-N 1 2 461.505 3.605 40 0 in-vitro JHABLO Fc1ccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2CC[NH+]2CCOCC2)cc1Cl ZINC000223132060 569900506 /nfs/dbraw/zinc/90/05/06/569900506.db2.gz QWJAFPNBPNCOMG-GOTSBHOMSA-N 1 2 486.016 3.970 40 0 JHABLO Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CC[NH+]2CCOCC2)c(C)n1C1CCCC1 ZINC000223136840 569900672 /nfs/dbraw/zinc/90/06/72/569900672.db2.gz PJYGOVZOSNOBQU-RPWUZVMVSA-N 1 2 453.656 3.920 40 0 JHABLO Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC[NH+]2CCOCC2)c(C)n1Cc1ccco1 ZINC000223174701 569902058 /nfs/dbraw/zinc/90/20/58/569902058.db2.gz LATKPBXBVIRAGH-DQEYMECFSA-N 1 2 479.650 3.836 40 0 JHABLO CCCC(=O)N(Cc1ccc(Cl)cc1)[C@H](C(=O)NCC[NH+]1CCOCC1)c1ccccc1 ZINC000223416330 569910546 /nfs/dbraw/zinc/91/05/46/569910546.db2.gz SOXMOOCWCHRTPC-DEOSSOPVSA-N 1 2 458.002 3.658 40 0 JHABLO Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)NCc3cccc(C[NH+]4CCOCC4)c3)c2)cc1 ZINC000224727147 569954951 /nfs/dbraw/zinc/95/49/51/569954951.db2.gz OTNULOXUCHDOEF-UHFFFAOYSA-N 1 2 479.602 3.558 40 0 JHABLO Cc1cccc(C(=O)N/C(=C\c2cccs2)C(=O)NCc2ccccc2C[NH+]2CCOCC2)c1 ZINC000225042213 569971337 /nfs/dbraw/zinc/97/13/37/569971337.db2.gz IWEIRSBCWDFMEI-UQQQWYQISA-N 1 2 475.614 3.976 40 0 JHABLO Cc1ccc(S(=O)(=O)N(CC(=O)NCCCn2cc[nH+]c2)Cc2c(Cl)cccc2Cl)cc1 ZINC000408620021 569977625 /nfs/dbraw/zinc/97/76/25/569977625.db2.gz ISFFXAQKTPOWFU-UHFFFAOYSA-N 1 2 495.432 3.896 40 0 JHABLO C[NH+](C)c1ccc(Nc2nc(Nc3cccc(C(F)(F)F)c3)nc(N3CCOCC3)n2)cc1 ZINC000408719236 570026207 /nfs/dbraw/zinc/02/62/07/570026207.db2.gz ODIYUUMMMBKGOM-UHFFFAOYSA-N 1 2 459.476 4.280 40 0 JHABLO COc1ccc2[nH]c(=O)c(C[N@H+](C[C@H]3CCCO3)[C@@H](c3nnnn3Cc3ccco3)C(C)C)cc2c1 ZINC000231443905 570046695 /nfs/dbraw/zinc/04/66/95/570046695.db2.gz QKUZLAOKIGLECE-ZJSXRUAMSA-N 1 2 492.580 3.543 40 0 JHABLO COc1ccc2[nH]c(=O)c(C[N@@H+](C[C@H]3CCCO3)[C@@H](c3nnnn3Cc3ccco3)C(C)C)cc2c1 ZINC000231443905 570046696 /nfs/dbraw/zinc/04/66/96/570046696.db2.gz QKUZLAOKIGLECE-ZJSXRUAMSA-N 1 2 492.580 3.543 40 0 JHABLO CCC[C@]1(C(=O)OCC)[NH2+][C@H](c2ccccc2C)[C@H]2C(=O)N(c3ccc(OCC)cc3)C(=O)[C@H]21 ZINC000245229654 570056044 /nfs/dbraw/zinc/05/60/44/570056044.db2.gz CMJKOGCJVKPULE-TZKYFUQOSA-N 1 2 464.562 3.946 40 0 JHABLO CC[C@H](c1nnnn1C(C)(C)CC)[N@@H+](Cc1cc2cc3c(cc2[nH]c1=O)OCO3)C[C@H]1CCCO1 ZINC000253500419 570101755 /nfs/dbraw/zinc/10/17/55/570101755.db2.gz LHHPGJDXZWUQNR-UYAOXDASSA-N 1 2 482.585 3.933 40 0 JHABLO CC[C@H](c1nnnn1C(C)(C)CC)[N@H+](Cc1cc2cc3c(cc2[nH]c1=O)OCO3)C[C@H]1CCCO1 ZINC000253500419 570101757 /nfs/dbraw/zinc/10/17/57/570101757.db2.gz LHHPGJDXZWUQNR-UYAOXDASSA-N 1 2 482.585 3.933 40 0 JHABLO Cc1ccc2[nH]c(=O)c(C[N@@H+](C[C@@H]3CCCO3)[C@H](c3nnnn3C[C@H]3CCCO3)C(C)C)cc2c1 ZINC000253500520 570102248 /nfs/dbraw/zinc/10/22/48/570102248.db2.gz SVGGPUVIQPXLAR-ZDXQCDESSA-N 1 2 480.613 3.793 40 0 JHABLO Cc1ccc2[nH]c(=O)c(C[N@H+](C[C@@H]3CCCO3)[C@H](c3nnnn3C[C@H]3CCCO3)C(C)C)cc2c1 ZINC000253500520 570102249 /nfs/dbraw/zinc/10/22/49/570102249.db2.gz SVGGPUVIQPXLAR-ZDXQCDESSA-N 1 2 480.613 3.793 40 0 JHABLO CCC[C@@H](c1nnnn1CCOC)[N@@H+](Cc1cc2cc(C)c(C)cc2[nH]c1=O)C[C@H]1CCCO1 ZINC000253500630 570102378 /nfs/dbraw/zinc/10/23/78/570102378.db2.gz ZDYCZYXJKQFZOO-GGAORHGYSA-N 1 2 468.602 3.713 40 0 JHABLO CCC[C@@H](c1nnnn1CCOC)[N@H+](Cc1cc2cc(C)c(C)cc2[nH]c1=O)C[C@H]1CCCO1 ZINC000253500630 570102379 /nfs/dbraw/zinc/10/23/79/570102379.db2.gz ZDYCZYXJKQFZOO-GGAORHGYSA-N 1 2 468.602 3.713 40 0 JHABLO CCCCOc1ccc(NC(=O)C[NH+]2CCC3(CC2)CCC(C)(C)N(S(C)(=O)=O)C3)cc1 ZINC000257200049 570107715 /nfs/dbraw/zinc/10/77/15/570107715.db2.gz ABULNYRCFVVSPR-UHFFFAOYSA-N 1 2 465.660 3.720 40 0 JHABLO COc1ccc([C@@H]2CN(C(=O)C3(C)CCN(C(=O)Cc4ccc(F)cc4)CC3)CC[N@@H+]2C)cc1 ZINC000257200855 570108027 /nfs/dbraw/zinc/10/80/27/570108027.db2.gz AFCVJVHZDPBION-DEOSSOPVSA-N 1 2 467.585 3.521 40 0 JHABLO COc1ccc([C@@H]2CN(C(=O)C3(C)CCN(C(=O)Cc4ccc(F)cc4)CC3)CC[N@H+]2C)cc1 ZINC000257200855 570108029 /nfs/dbraw/zinc/10/80/29/570108029.db2.gz AFCVJVHZDPBION-DEOSSOPVSA-N 1 2 467.585 3.521 40 0 JHABLO CC(=O)N1CCN(C(=O)c2cccc(Cn3cc[nH+]c3)c2)C[C@@H](Cc2cccc3ncccc23)C1 ZINC000257200685 570108066 /nfs/dbraw/zinc/10/80/66/570108066.db2.gz AEMRMBWJZNCTKJ-QHCPKHFHSA-N 1 2 467.573 3.643 40 0 JHABLO CC(=O)N1CCC(Cc2cccc(F)c2)(C(=O)N2CCC[C@H]2c2cc[nH+]c(N(C)C)c2)CC1 ZINC000257224062 570115309 /nfs/dbraw/zinc/11/53/09/570115309.db2.gz FAEAYKITSJDDIN-QHCPKHFHSA-N 1 2 452.574 3.822 40 0 JHABLO O=C(N1CCOC[C@H](Cc2ccc3[nH+]ccn3c2)C1)C1(c2ccc(Cl)cc2)CCOCC1 ZINC000257243527 570121150 /nfs/dbraw/zinc/12/11/50/570121150.db2.gz IHKFXBYTUYCPBY-HXUWFJFHSA-N 1 2 453.970 3.754 40 0 JHABLO Cc1nc(C[N@@H+]2CCC[C@](COc3ccc(Cl)c(C)c3)(CC(=O)N3CCOCC3)C2)co1 ZINC000257253928 570124351 /nfs/dbraw/zinc/12/43/51/570124351.db2.gz KAXDXLWGSREHEO-DEOSSOPVSA-N 1 2 461.990 3.855 40 0 JHABLO Cc1nc(C[N@H+]2CCC[C@](COc3ccc(Cl)c(C)c3)(CC(=O)N3CCOCC3)C2)co1 ZINC000257253928 570124353 /nfs/dbraw/zinc/12/43/53/570124353.db2.gz KAXDXLWGSREHEO-DEOSSOPVSA-N 1 2 461.990 3.855 40 0 JHABLO O=C(c1ccccc1OCC[NH+]1CCOCC1)N1CCC[C@H](Cc2cccn3nccc23)CC1 ZINC000257276315 570131464 /nfs/dbraw/zinc/13/14/64/570131464.db2.gz NTEBZYBGHLULPW-QFIPXVFZSA-N 1 2 462.594 3.530 40 0 JHABLO Cc1cc2[nH+]c(CCC(=O)N(C)C[C@@]3(O)CCCN(c4ccnc5cccnc54)C3)[nH]c2c(C)c1 ZINC000257299538 570138274 /nfs/dbraw/zinc/13/82/74/570138274.db2.gz RQLMGUNPNMDPLL-MHZLTWQESA-N 1 2 472.593 3.545 40 0 JHABLO CN(C)c1cc([C@H]2CCCN(C(=O)C3(C)CCN(C(=O)Cc4ccc(F)cc4)CC3)C2)cc[nH+]1 ZINC000257301169 570138772 /nfs/dbraw/zinc/13/87/72/570138772.db2.gz RXGUPORXGXUQNV-QFIPXVFZSA-N 1 2 466.601 3.864 40 0 JHABLO Cc1cc(N2CCC[C@@](O)(CN(C)C(=O)c3ccc4[nH]c(C(F)(F)F)nc4c3)C2)c2cnccc2[nH+]1 ZINC000257313018 570142430 /nfs/dbraw/zinc/14/24/30/570142430.db2.gz UQQDBYFIISJOEI-XMMPIXPASA-N 1 2 498.509 3.937 40 0 JHABLO COc1ccc(Oc2nccnc2C2CCN(C(=O)[C@H]3COCC[N@@H+]3C3CCCC3)CC2)cc1 ZINC000257316104 570143397 /nfs/dbraw/zinc/14/33/97/570143397.db2.gz VEDIUCVRZSMXLT-HSZRJFAPSA-N 1 2 466.582 3.627 40 0 JHABLO COc1ccc(Oc2nccnc2C2CCN(C(=O)[C@H]3COCC[N@H+]3C3CCCC3)CC2)cc1 ZINC000257316104 570143399 /nfs/dbraw/zinc/14/33/99/570143399.db2.gz VEDIUCVRZSMXLT-HSZRJFAPSA-N 1 2 466.582 3.627 40 0 JHABLO COc1cccc(-c2cnc(N)nc2[C@H]2CCCN2C(=O)c2ccccc2C[NH+]2CCOCC2)c1 ZINC000257325185 570145995 /nfs/dbraw/zinc/14/59/95/570145995.db2.gz WRWCXTGDGHWPSV-XMMPIXPASA-N 1 2 473.577 3.544 40 0 JHABLO CCOc1cccc([C@H]2N(C(=O)CC)c3ccccc3-c3c(=O)[nH]c(SC)n[n+]32)c1OC(=O)CC ZINC000261361834 570167416 /nfs/dbraw/zinc/16/74/16/570167416.db2.gz BEQWDXSEWLLMEV-DEOSSOPVSA-O 1 2 495.581 3.876 40 0 JHABLO COc1ccc(Br)cc1[C@H]1N(C(C)=O)c2ccccc2-c2c(=O)[nH]c(SC)n[n+]21 ZINC000261362996 570167716 /nfs/dbraw/zinc/16/77/16/570167716.db2.gz FPFZOKFKYAPENK-IBGZPJMESA-O 1 2 474.360 3.543 40 0 JHABLO CCCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@H]2c1ccc(OC)c(OC(C)=O)c1 ZINC000261363950 570168234 /nfs/dbraw/zinc/16/82/34/570168234.db2.gz IQTYNWSBLGJSBG-XMMPIXPASA-O 1 2 495.581 3.876 40 0 JHABLO CCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@H]2c1ccc(OC)c(Br)c1 ZINC000261364776 570168815 /nfs/dbraw/zinc/16/88/15/570168815.db2.gz NPYBPTONJZLIKS-HXUWFJFHSA-O 1 2 488.387 3.933 40 0 JHABLO CCOc1cc([C@@H]2Nc3ccccc3-c3c(=O)[nH]c(SC)n[n+]32)cc(Br)c1O ZINC000261366046 570169351 /nfs/dbraw/zinc/16/93/51/570169351.db2.gz XCJRCRPGDVTUOM-QGZVFWFLSA-O 1 2 462.349 3.698 40 0 JHABLO Cc1cc2cc(CN(CC[NH+]3CCOCC3)C(=O)Nc3ccc(F)cc3)c(=O)[nH]c2cc1C ZINC000001371160 194105425 /nfs/dbraw/zinc/10/54/25/194105425.db2.gz JYRVLRCORPFNSR-UHFFFAOYSA-N 1 2 452.530 3.650 40 0 JHABLO CCOC(=O)Cn1nnnc1[C@@H](CC)[N@H+](Cc1cccs1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000001374240 194108097 /nfs/dbraw/zinc/10/80/97/194108097.db2.gz JEFATOXPUKIHFU-OAQYLSRUSA-N 1 2 480.594 3.601 40 0 JHABLO CCOC(=O)Cn1nnnc1[C@@H](CC)[N@@H+](Cc1cccs1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000001374240 194108100 /nfs/dbraw/zinc/10/81/00/194108100.db2.gz JEFATOXPUKIHFU-OAQYLSRUSA-N 1 2 480.594 3.601 40 0 JHABLO CCOC(=O)Cn1nnnc1[C@@H](CC)[N@H+](Cc1cccs1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000001375322 194109897 /nfs/dbraw/zinc/10/98/97/194109897.db2.gz HHRTZTLTTXTNNQ-JOCHJYFZSA-N 1 2 494.621 3.910 40 0 JHABLO CCOC(=O)Cn1nnnc1[C@@H](CC)[N@@H+](Cc1cccs1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000001375322 194109900 /nfs/dbraw/zinc/10/99/00/194109900.db2.gz HHRTZTLTTXTNNQ-JOCHJYFZSA-N 1 2 494.621 3.910 40 0 JHABLO COC(=O)c1ccc(CS(=O)(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000020489590 522049430 /nfs/dbraw/zinc/04/94/30/522049430.db2.gz RZHJXCJTNPEEBF-UHFFFAOYSA-N 1 2 464.587 3.710 40 0 JHABLO COc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(-n3cc[nH+]c3)cc2)c2ccc(C)cc2)cc1 ZINC000022529831 525009369 /nfs/dbraw/zinc/00/93/69/525009369.db2.gz LCNMCNXQIMLTFN-UHFFFAOYSA-N 1 2 490.585 3.701 40 0 JHABLO COc1ccc(NC(=S)N(CC[NH+]2CCOCC2)Cc2cc3ccc(C)c(C)c3[nH]c2=O)cc1 ZINC000000931894 553870398 /nfs/dbraw/zinc/87/03/98/553870398.db2.gz IEHNCTAJIFHWAS-UHFFFAOYSA-N 1 2 480.634 3.685 40 0 JHABLO COc1ccc(CCNC(=O)CSc2[nH+]cnc3c2cnn3-c2ccc(C)cc2)cc1OC ZINC000001346379 553955331 /nfs/dbraw/zinc/95/53/31/553955331.db2.gz DIFCZADRGIQMKA-UHFFFAOYSA-N 1 2 463.563 3.592 40 0 JHABLO O=c1[nH]c2cc3c(cc2cc1[C@@H](c1nnnn1C1CCCCC1)[NH+]1CCCCCC1)OCO3 ZINC000006445174 554539247 /nfs/dbraw/zinc/53/92/47/554539247.db2.gz RRLBKDYNDGSMAO-QFIPXVFZSA-N 1 2 450.543 3.714 40 0 JHABLO O=C1Nc2ccc(Cl)cc2[C@@]12[C@@H]1C(=O)N(c3ccc(F)c(Cl)c3)C(=O)[C@H]1[C@@H]1CCC[N@@H+]12 ZINC000008969987 554843523 /nfs/dbraw/zinc/84/35/23/554843523.db2.gz OTVFKKCVIQSWDH-VDNWNZSNSA-N 1 2 460.292 3.564 40 0 JHABLO O=C1Nc2ccc(Cl)cc2[C@@]12[C@@H]1C(=O)N(c3ccc(F)c(Cl)c3)C(=O)[C@H]1[C@@H]1CCC[N@H+]12 ZINC000008969987 554843526 /nfs/dbraw/zinc/84/35/26/554843526.db2.gz OTVFKKCVIQSWDH-VDNWNZSNSA-N 1 2 460.292 3.564 40 0 JHABLO CCOC(=O)Cn1nnnc1[C@@H](C(C)C)[N@H+](Cc1cccs1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000013498554 555422107 /nfs/dbraw/zinc/42/21/07/555422107.db2.gz MAOKXZBXUPXDCT-HSZRJFAPSA-N 1 2 494.621 3.847 40 0 JHABLO CCOC(=O)Cn1nnnc1[C@@H](C(C)C)[N@@H+](Cc1cccs1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000013498554 555422110 /nfs/dbraw/zinc/42/21/10/555422110.db2.gz MAOKXZBXUPXDCT-HSZRJFAPSA-N 1 2 494.621 3.847 40 0 JHABLO Cc1cc2cc(C[N@@H+](CCO)[C@@H](c3nnnn3CCc3ccccc3)C(C)C)c(=O)[nH]c2cc1C ZINC000013498938 555426364 /nfs/dbraw/zinc/42/63/64/555426364.db2.gz DGSQQIJMVUSXTH-RUZDIDTESA-N 1 2 474.609 3.566 40 0 JHABLO Cc1cc2cc(C[N@H+](CCO)[C@@H](c3nnnn3CCc3ccccc3)C(C)C)c(=O)[nH]c2cc1C ZINC000013498938 555426370 /nfs/dbraw/zinc/42/63/70/555426370.db2.gz DGSQQIJMVUSXTH-RUZDIDTESA-N 1 2 474.609 3.566 40 0 JHABLO Cc1cc(C)c2cc(C[N@@H+](CCO)[C@H](c3nnnn3CCc3ccccc3)C(C)C)c(=O)[nH]c2c1 ZINC000013499083 555428023 /nfs/dbraw/zinc/42/80/23/555428023.db2.gz QFMFRCGYQQMTHK-VWLOTQADSA-N 1 2 474.609 3.566 40 0 JHABLO Cc1cc(C)c2cc(C[N@H+](CCO)[C@H](c3nnnn3CCc3ccccc3)C(C)C)c(=O)[nH]c2c1 ZINC000013499083 555428025 /nfs/dbraw/zinc/42/80/25/555428025.db2.gz QFMFRCGYQQMTHK-VWLOTQADSA-N 1 2 474.609 3.566 40 0 JHABLO CCOC(=O)Cn1nnnc1[C@@H](C(C)C)[N@H+](Cc1ccco1)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000013499190 555429271 /nfs/dbraw/zinc/42/92/71/555429271.db2.gz DKOVTLZEHQNHPR-XMMPIXPASA-N 1 2 492.580 3.687 40 0 JHABLO CCOC(=O)Cn1nnnc1[C@@H](C(C)C)[N@@H+](Cc1ccco1)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000013499190 555429275 /nfs/dbraw/zinc/42/92/75/555429275.db2.gz DKOVTLZEHQNHPR-XMMPIXPASA-N 1 2 492.580 3.687 40 0 JHABLO Cc1ccc2[nH]c(=O)c(C[N@@H+](C[C@@H]3CCCO3)[C@@H](c3nnnn3C(C)(C)C)C(C)C)cc2c1 ZINC000013500245 555438204 /nfs/dbraw/zinc/43/82/04/555438204.db2.gz FQPLZEAGPJGOKR-RBBKRZOGSA-N 1 2 452.603 3.956 40 0 JHABLO Cc1ccc2[nH]c(=O)c(C[N@H+](C[C@@H]3CCCO3)[C@@H](c3nnnn3C(C)(C)C)C(C)C)cc2c1 ZINC000013500245 555438205 /nfs/dbraw/zinc/43/82/05/555438205.db2.gz FQPLZEAGPJGOKR-RBBKRZOGSA-N 1 2 452.603 3.956 40 0 JHABLO CCOc1ccc2[nH]c(=O)c(C[N@H+](CCCO)[C@@H](c3nnnn3C3CCCC3)C(C)C)cc2c1 ZINC000013500579 555441769 /nfs/dbraw/zinc/44/17/69/555441769.db2.gz GKRDVKNKOSJHEJ-HSZRJFAPSA-N 1 2 468.602 3.610 40 0 JHABLO CCOc1ccc2[nH]c(=O)c(C[N@@H+](CCCO)[C@@H](c3nnnn3C3CCCC3)C(C)C)cc2c1 ZINC000013500579 555441772 /nfs/dbraw/zinc/44/17/72/555441772.db2.gz GKRDVKNKOSJHEJ-HSZRJFAPSA-N 1 2 468.602 3.610 40 0 JHABLO Cn1c(SCc2ccccc2)nnc1[C@@H]1CCC[N@H+](CC(=O)Nc2ccc3c(c2)OCCO3)C1 ZINC000013565161 555501230 /nfs/dbraw/zinc/50/12/30/555501230.db2.gz LBYSTNGWMSETBY-LJQANCHMSA-N 1 2 479.606 3.697 40 0 JHABLO Cn1c(SCc2ccccc2)nnc1[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc3c(c2)OCCO3)C1 ZINC000013565161 555501233 /nfs/dbraw/zinc/50/12/33/555501233.db2.gz LBYSTNGWMSETBY-LJQANCHMSA-N 1 2 479.606 3.697 40 0 JHABLO O=C1C[C@H](c2ccccc2F)Cc2nc(N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)ncc21 ZINC000020555696 555807931 /nfs/dbraw/zinc/80/79/31/555807931.db2.gz XTZRNHFLZGJGFR-GOSISDBHSA-N 1 2 460.509 3.579 40 0 JHABLO CC(=O)Nc1ccc(C[N@@H+]2C[C@H](O)C[C@H]2c2nc(-c3ccc(OC(F)(F)F)cc3)no2)cc1 ZINC000015674278 555933301 /nfs/dbraw/zinc/93/33/01/555933301.db2.gz GZSFNNWDHVHMCT-MJGOQNOKSA-N 1 2 462.428 3.902 40 0 biogenic,in-vitro JHABLO CC(=O)Nc1ccc(C[N@H+]2C[C@H](O)C[C@H]2c2nc(-c3ccc(OC(F)(F)F)cc3)no2)cc1 ZINC000015674278 555933305 /nfs/dbraw/zinc/93/33/05/555933305.db2.gz GZSFNNWDHVHMCT-MJGOQNOKSA-N 1 2 462.428 3.902 40 0 biogenic,in-vitro JHABLO CCCCOc1ccc(C(=O)[C@@H]([C@H](c2ccccc2)[NH+]2CCOCC2)N2CCOCC2)cc1 ZINC000022580858 555940038 /nfs/dbraw/zinc/94/00/38/555940038.db2.gz SNGHKPGBEIVJPH-IZZNHLLZSA-N 1 2 452.595 3.823 40 0 JHABLO COc1ccc2cc(C[N@H+](Cc3nnnn3CCc3ccccc3)C3CCCC3)c(=O)[nH]c2c1 ZINC000013033158 556231822 /nfs/dbraw/zinc/23/18/22/556231822.db2.gz ANQICHGMCVVVCA-UHFFFAOYSA-N 1 2 458.566 3.711 40 0 JHABLO COc1ccc2cc(C[N@@H+](Cc3nnnn3CCc3ccccc3)C3CCCC3)c(=O)[nH]c2c1 ZINC000013033158 556231825 /nfs/dbraw/zinc/23/18/25/556231825.db2.gz ANQICHGMCVVVCA-UHFFFAOYSA-N 1 2 458.566 3.711 40 0 JHABLO Cc1cc(C[C@H](O)CN2CC[NH+](C[C@@H](O)COc3ccc(Cl)c(C)c3)CC2)ccc1Cl ZINC000027530960 556291397 /nfs/dbraw/zinc/29/13/97/556291397.db2.gz ZMUXPASZAVFSHP-LEWJYISDSA-N 1 2 467.437 3.571 40 0 JHABLO CCC(C)(C)n1nnnc1[C@@H](c1cc2ccc(OC)cc2[nH]c1=O)[N@@H+]1CCc2ccccc2C1 ZINC000019499629 556349454 /nfs/dbraw/zinc/34/94/54/556349454.db2.gz WWWIBCLGMNAXSH-HSZRJFAPSA-N 1 2 458.566 3.816 40 0 JHABLO CCC(C)(C)n1nnnc1[C@@H](c1cc2ccc(OC)cc2[nH]c1=O)[N@H+]1CCc2ccccc2C1 ZINC000019499629 556349458 /nfs/dbraw/zinc/34/94/58/556349458.db2.gz WWWIBCLGMNAXSH-HSZRJFAPSA-N 1 2 458.566 3.816 40 0 JHABLO COc1ccc2cc(CN(CC[NH+]3CCOCC3)C(=O)Nc3ccc(Cl)cc3)c(=O)[nH]c2c1 ZINC000019563887 556354540 /nfs/dbraw/zinc/35/45/40/556354540.db2.gz YUBPRILZXQDATM-UHFFFAOYSA-N 1 2 470.957 3.556 40 0 JHABLO CC1=C[C@@H](CNC(=O)Nc2ccccc2)[C@H](C(C)C)C[C@H]1CC(=O)NCC[NH+]1CCOCC1 ZINC000030879984 556386460 /nfs/dbraw/zinc/38/64/60/556386460.db2.gz WSFDVQVEJNZGGO-FIXSFTCYSA-N 1 2 456.631 3.501 40 0 biogenic,in-vitro JHABLO Cc1cc(C)c2[nH]c(=O)c(CN(CC[NH+]3CCOCC3)C(=S)N[C@H](C)c3ccccc3)cc2c1 ZINC000019823847 556394398 /nfs/dbraw/zinc/39/43/98/556394398.db2.gz HDZQVRMUSXFSTD-OAQYLSRUSA-N 1 2 478.662 3.915 40 0 JHABLO CCOC(=O)[C@@H]1[C@@H](c2ccc(N(C)C)cc2)c2cc3c(cc2O[C@@]1(C)[NH+]1CCCC1)OCO3 ZINC000031771999 556402994 /nfs/dbraw/zinc/40/29/94/556402994.db2.gz ZRDRXBHVGVGLEY-KYPHJKQUSA-N 1 2 452.551 3.997 40 0 JHABLO CCc1ccccc1NC(=O)CSC1=[NH+][C@H]2CS(=O)(=O)C[C@@H]2N1Cc1ccc(Cl)cc1 ZINC000032640026 556459786 /nfs/dbraw/zinc/45/97/86/556459786.db2.gz WOECAGJVVQVLOK-PMACEKPBSA-N 1 2 478.039 3.612 40 0 JHABLO CC[C@@H](c1nnnn1CCOC)[N@H+](Cc1ccc(C)cc1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000008582773 562939935 /nfs/dbraw/zinc/93/99/35/562939935.db2.gz DSLANSDNYNSJLF-DEOSSOPVSA-N 1 2 476.581 3.632 40 0 JHABLO CC[C@@H](c1nnnn1CCOC)[N@@H+](Cc1ccc(C)cc1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000008582773 562939937 /nfs/dbraw/zinc/93/99/37/562939937.db2.gz DSLANSDNYNSJLF-DEOSSOPVSA-N 1 2 476.581 3.632 40 0 JHABLO S=C1N[C@H](c2ccccn2)[C@H](c2cc(Br)cs2)N1CCC[NH+]1CCOCC1 ZINC000223169033 569901893 /nfs/dbraw/zinc/90/18/93/569901893.db2.gz RCBNAIZYYSNEEB-MSOLQXFVSA-N 1 2 467.458 3.600 40 0 JHABLO CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1ccc(C)c(S(=O)(=O)N2CC[NH+](C)CC2)c1 ZINC000223181963 569902447 /nfs/dbraw/zinc/90/24/47/569902447.db2.gz APAQUWHOQLJSRM-DEOSSOPVSA-N 1 2 485.650 3.606 40 0 JHABLO Cc1ccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC[NH+]2CCOCC2)cc1 ZINC000223193826 569902827 /nfs/dbraw/zinc/90/28/27/569902827.db2.gz FSTZDMRLLUFWEF-RPBOFIJWSA-N 1 2 461.635 3.876 40 0 JHABLO Fc1ccccc1-n1cccc1[C@H]1[C@H](c2ccccn2)NC(=S)N1CCC[NH+]1CCOCC1 ZINC000223194657 569902924 /nfs/dbraw/zinc/90/29/24/569902924.db2.gz KEQOMJJLQYNLQO-ZEQRLZLVSA-N 1 2 465.598 3.706 40 0 JHABLO COc1cccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2CCC[NH+]2CCOCC2)c1 ZINC000223195876 569902942 /nfs/dbraw/zinc/90/29/42/569902942.db2.gz DMVHIFSORFNZOL-DQEYMECFSA-N 1 2 477.634 3.576 40 0 JHABLO COc1cc(C)c([C@H](C)NC(=O)c2cccc(S(=O)(=O)N3CC[NH+](C)CC3)c2)cc1C(C)C ZINC000223357027 569908490 /nfs/dbraw/zinc/90/84/90/569908490.db2.gz BMKIFACJPLUYIY-IBGZPJMESA-N 1 2 473.639 3.554 40 0 JHABLO Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCc3cccc(C[NH+]4CCOCC4)c3)cc2)cc1 ZINC000224722803 569954790 /nfs/dbraw/zinc/95/47/90/569954790.db2.gz HQDKBFQUQNHMHA-UHFFFAOYSA-N 1 2 479.602 3.558 40 0 JHABLO CCOc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](c2ccccc2C)[NH2+][C@]3(CCSC)C(=O)OC)cc1 ZINC000229995882 570043136 /nfs/dbraw/zinc/04/31/36/570043136.db2.gz IBZBIEOVNWOVDH-YGWSKSRPSA-N 1 2 482.602 3.509 40 0 JHABLO CCOC(=O)[C@]1(CCSC)[NH2+][C@H](c2cccs2)[C@@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@@H]21 ZINC000231643328 570046847 /nfs/dbraw/zinc/04/68/47/570046847.db2.gz JIXWTDPBVVIZQY-FZONSQQESA-N 1 2 458.605 3.562 40 0 JHABLO COC(=O)[C@]1(Cc2ccccc2)[NH2+][C@H](c2ccccc2C)[C@H]2C(=O)N(c3cccc(C(C)=O)c3)C(=O)[C@H]21 ZINC000245229812 570056220 /nfs/dbraw/zinc/05/62/20/570056220.db2.gz GFNLWRVFGHIACM-DZNDNOMISA-N 1 2 496.563 3.802 40 0 JHABLO CN(C[C@@]1(O)CCCN(c2cc[nH+]c3ccncc32)C1)C(=O)CCc1nc2cc(Cl)ccc2[nH]1 ZINC000257205788 570109552 /nfs/dbraw/zinc/10/95/52/570109552.db2.gz BANUJMFUGVLDBZ-VWLOTQADSA-N 1 2 478.984 3.582 40 0 JHABLO COc1ccc(C(=O)N2CCOC[C@@H](Cc3ccc4[nH+]ccn4c3)C2)cc1OCc1ccccn1 ZINC000257205969 570109721 /nfs/dbraw/zinc/10/97/21/570109721.db2.gz BBHQRYZPXIPAOH-NRFANRHFSA-N 1 2 472.545 3.648 40 0 JHABLO O=C(c1ccccc1OCC[NH+]1CCOCC1)N1C[C@@H]2[C@@H](Cc3cccc(F)c3)CC[C@@H]2C1 ZINC000257249944 570123221 /nfs/dbraw/zinc/12/32/21/570123221.db2.gz JKJAAULTQFTBMK-TZBSWOFLSA-N 1 2 452.570 3.878 40 0 JHABLO Cc1cc(N2CC[C@](O)(CN(C)C(=O)CCc3nc4cc(Cl)ccc4[nH]3)C2)c2cnccc2[nH+]1 ZINC000257272595 570130463 /nfs/dbraw/zinc/13/04/63/570130463.db2.gz NDACVWZTCYZYJX-VWLOTQADSA-N 1 2 478.984 3.500 40 0 JHABLO Cc1cc(N2CC[C@](O)(CN(C)C(=O)CCc3nc4ccc(Cl)cc4[nH]3)C2)c2cnccc2[nH+]1 ZINC000257272595 570130464 /nfs/dbraw/zinc/13/04/64/570130464.db2.gz NDACVWZTCYZYJX-VWLOTQADSA-N 1 2 478.984 3.500 40 0 JHABLO Cc1ccc(C[N@@H+]2CCO[C@](COc3ccc(Cl)cc3)(CC(=O)N3CCOCC3)C2)s1 ZINC000257292723 570136446 /nfs/dbraw/zinc/13/64/46/570136446.db2.gz QMRWEYGMRIJLEP-HSZRJFAPSA-N 1 2 465.015 3.609 40 0 JHABLO Cc1ccc(C[N@H+]2CCO[C@](COc3ccc(Cl)cc3)(CC(=O)N3CCOCC3)C2)s1 ZINC000257292723 570136447 /nfs/dbraw/zinc/13/64/47/570136447.db2.gz QMRWEYGMRIJLEP-HSZRJFAPSA-N 1 2 465.015 3.609 40 0 JHABLO Cc1cc(N2CCC[C@@](O)(CN(C)C(=O)c3ccc4c(c3)ncn4C(C)C)C2)c2cnccc2[nH+]1 ZINC000257297173 570137615 /nfs/dbraw/zinc/13/76/15/570137615.db2.gz RGFHSSCXAPBCMC-HHHXNRCGSA-N 1 2 472.593 3.972 40 0 JHABLO CN(C[C@@]1(O)CCCN(c2cc[nH+]c3ccncc32)C1)C(=O)CCc1nc2cc(Cl)ccc2n1C ZINC000257321544 570144813 /nfs/dbraw/zinc/14/48/13/570144813.db2.gz WCCKDYDFWFKHKQ-SANMLTNESA-N 1 2 493.011 3.592 40 0 JHABLO CCc1nc(NC(=O)C[N@@H+]2[C@H](c3ccc(OC)cc3)C[C@]3(C)NC(=O)CCC[C@H]23)sc1C ZINC000257327334 570146684 /nfs/dbraw/zinc/14/66/84/570146684.db2.gz XAYRYFMVKFCHKM-SKPFHBQLSA-N 1 2 456.612 3.835 40 0 JHABLO CCc1nc(NC(=O)C[N@H+]2[C@H](c3ccc(OC)cc3)C[C@]3(C)NC(=O)CCC[C@H]23)sc1C ZINC000257327334 570146685 /nfs/dbraw/zinc/14/66/85/570146685.db2.gz XAYRYFMVKFCHKM-SKPFHBQLSA-N 1 2 456.612 3.835 40 0 JHABLO Cc1ccc(C(=O)N2CCOC[C@H](Cc3ccc4[nH+]ccn4c3)C2)cc1NCc1cccnc1 ZINC000257330514 570147704 /nfs/dbraw/zinc/14/77/04/570147704.db2.gz XOSWBJCHUDKLCJ-HSZRJFAPSA-N 1 2 455.562 3.981 40 0 JHABLO Cc1sc(NC(=O)C[NH+]2CCC3(CN(S(C)(=O)=O)C(C)(C)C3)CC2)nc1-c1ccccc1 ZINC000257341440 570150859 /nfs/dbraw/zinc/15/08/59/570150859.db2.gz ZKIPRQPIXKNJCT-UHFFFAOYSA-N 1 2 476.668 3.583 40 0 JHABLO COc1ccc([C@H]2CN(C(=O)c3cccc(Nc4cc(C)[nH+]c(C)n4)c3)CCN2C(C)=O)cc1 ZINC000257343165 570151314 /nfs/dbraw/zinc/15/13/14/570151314.db2.gz ZRSXXOXHLQJBMB-XMMPIXPASA-N 1 2 459.550 3.891 40 0 JHABLO CCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N[C@H]2c1cc(Br)c(O)c(OC)c1 ZINC000261362627 570167684 /nfs/dbraw/zinc/16/76/84/570167684.db2.gz MHXSAMQWCZHZSB-QGZVFWFLSA-O 1 2 462.349 3.698 40 0 JHABLO CCOc1ccc([C@@H]2N(C(=O)CC)c3ccccc3-c3c(=O)[nH]c(SC)n[n+]32)cc1OC ZINC000261362788 570167687 /nfs/dbraw/zinc/16/76/87/570167687.db2.gz FCQZGCHDDVDXBP-JOCHJYFZSA-O 1 2 453.544 3.569 40 0 JHABLO COc1cc([C@@H]2Nc3ccc(Br)cc3-c3c(=O)[nH]c(SC)n[n+]32)cc(Cl)c1O ZINC000261363295 570167862 /nfs/dbraw/zinc/16/78/62/570167862.db2.gz QYRIYGRJZQAGHC-MRXNPFEDSA-O 1 2 482.767 3.961 40 0 JHABLO CCCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@H]2c1ccc2c(c1)OCO2 ZINC000261365117 570168866 /nfs/dbraw/zinc/16/88/66/570168866.db2.gz QDXWYGWBOHEWAC-JOCHJYFZSA-O 1 2 451.528 3.671 40 0 JHABLO C[C@H](CO)Nc1nc(NCc2ccc(F)c(F)c2)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000328955936 570179313 /nfs/dbraw/zinc/17/93/13/570179313.db2.gz AEOWVNJTJZFOCP-GFCCVEGCSA-N 1 2 454.399 3.569 40 0 JHABLO CCOC(=O)C1CC[NH+]([C@@H](c2nnnn2C(C)(C)CC)c2cc3ccc(C)c(C)c3[nH]c2=O)CC1 ZINC000057589680 195351318 /nfs/dbraw/zinc/35/13/18/195351318.db2.gz BRGVSSYIABLQPI-JOCHJYFZSA-N 1 2 480.613 3.641 40 0 JHABLO CCC[C@H](c1nnnn1Cc1ccco1)[N@@H+](Cc1cc2cccc(C)c2[nH]c1=O)C[C@@H]1CCCO1 ZINC000057653608 195356980 /nfs/dbraw/zinc/35/69/80/195356980.db2.gz BYTNJSRBXFOZCB-JTHBVZDNSA-N 1 2 476.581 3.987 40 0 JHABLO CCC[C@H](c1nnnn1Cc1ccco1)[N@H+](Cc1cc2cccc(C)c2[nH]c1=O)C[C@@H]1CCCO1 ZINC000057653608 195356983 /nfs/dbraw/zinc/35/69/83/195356983.db2.gz BYTNJSRBXFOZCB-JTHBVZDNSA-N 1 2 476.581 3.987 40 0 JHABLO CCOC(=O)[C@@H]1CCC[N@@H+](c2ccc(NCc3cc4cc5c(cc4[nH]c3=O)OCCO5)cc2)C1 ZINC000057718147 195357948 /nfs/dbraw/zinc/35/79/48/195357948.db2.gz QQQWDOIBFAFIRI-QGZVFWFLSA-N 1 2 463.534 3.691 40 0 JHABLO CCOC(=O)[C@@H]1CCC[N@H+](c2ccc(NCc3cc4cc5c(cc4[nH]c3=O)OCCO5)cc2)C1 ZINC000057718147 195357949 /nfs/dbraw/zinc/35/79/49/195357949.db2.gz QQQWDOIBFAFIRI-QGZVFWFLSA-N 1 2 463.534 3.691 40 0 JHABLO CCOC(=O)Cn1nnnc1[C@H](CC)[N@H+](Cc1ccccc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000008677473 520921535 /nfs/dbraw/zinc/92/15/35/520921535.db2.gz LXRVVDXAWWDYIG-QHCPKHFHSA-N 1 2 474.565 3.540 40 0 JHABLO CCOC(=O)Cn1nnnc1[C@H](CC)[N@@H+](Cc1ccccc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000008677473 520921541 /nfs/dbraw/zinc/92/15/41/520921541.db2.gz LXRVVDXAWWDYIG-QHCPKHFHSA-N 1 2 474.565 3.540 40 0 JHABLO CCC[C@@]1(C(=O)OCC)[NH2+][C@@H](c2ccccc2C)[C@H]2C(=O)N(c3cccc(C(C)=O)c3)C(=O)[C@@H]21 ZINC000012498141 520947159 /nfs/dbraw/zinc/94/71/59/520947159.db2.gz PJMDWFBVLPZOAQ-NBCVKUGOSA-N 1 2 462.546 3.750 40 0 JHABLO CCC[C@@]1(C(=O)OCC)[NH2+][C@@H](c2ccccc2C)[C@H]2C(=O)N(c3ccc(OCC)cc3)C(=O)[C@@H]21 ZINC000012497653 520948204 /nfs/dbraw/zinc/94/82/04/520948204.db2.gz CMJKOGCJVKPULE-NBCVKUGOSA-N 1 2 464.562 3.946 40 0 JHABLO CCC[C@H](c1nnnn1CCc1ccc(OC)c(OC)c1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000013505543 521196862 /nfs/dbraw/zinc/19/68/62/521196862.db2.gz LVUDCCDXZUPRIP-JOCHJYFZSA-N 1 2 468.577 3.736 40 0 JHABLO CCC(C)(C)n1nnnc1[C@@H](c1ccc(F)cc1)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000022928764 521373266 /nfs/dbraw/zinc/37/32/66/521373266.db2.gz WQOUNCLFADYAQG-HSZRJFAPSA-N 1 2 466.561 3.593 40 0 JHABLO COc1ccc2[nH]c(=O)c([C@H](c3nnnn3Cc3ccc(F)cc3)[NH+]3CCC(C)CC3)cc2c1 ZINC000006148970 525478619 /nfs/dbraw/zinc/47/86/19/525478619.db2.gz ZSKIHHDYYIXPED-HSZRJFAPSA-N 1 2 462.529 3.532 40 0 JHABLO Cc1ccc(NC(=S)N(CC[NH+]2CCOCC2)Cc2cc3cc(C)c(C)cc3[nH]c2=O)cc1 ZINC000000878861 553814774 /nfs/dbraw/zinc/81/47/74/553814774.db2.gz YZKISFVYNGFDFI-UHFFFAOYSA-N 1 2 464.635 3.985 40 0 JHABLO COc1ccc2[nH]c(=O)c([C@H](c3nnnn3Cc3ccc(F)cc3)[NH+]3CCCCCC3)cc2c1 ZINC000006282730 554525985 /nfs/dbraw/zinc/52/59/85/554525985.db2.gz PLECVBRPOAPOHS-HSZRJFAPSA-N 1 2 462.529 3.676 40 0 JHABLO O=C1Nc2ccc(Cl)cc2[C@@]12[C@@H]1C(=O)N(c3ccc(F)c(Cl)c3)C(=O)[C@H]1[C@H]1CCC[N@@H+]12 ZINC000008969990 554843574 /nfs/dbraw/zinc/84/35/74/554843574.db2.gz OTVFKKCVIQSWDH-BZDHPDOMSA-N 1 2 460.292 3.564 40 0 JHABLO O=C1Nc2ccc(Cl)cc2[C@@]12[C@@H]1C(=O)N(c3ccc(F)c(Cl)c3)C(=O)[C@H]1[C@H]1CCC[N@H+]12 ZINC000008969990 554843576 /nfs/dbraw/zinc/84/35/76/554843576.db2.gz OTVFKKCVIQSWDH-BZDHPDOMSA-N 1 2 460.292 3.564 40 0 JHABLO CCOC(=O)Cn1nnnc1[C@@H](CC)[N@H+](Cc1cccs1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013495745 555409245 /nfs/dbraw/zinc/40/92/45/555409245.db2.gz FWXNCRBYEUMIIU-HXUWFJFHSA-N 1 2 480.594 3.601 40 0 JHABLO CCOC(=O)Cn1nnnc1[C@@H](CC)[N@@H+](Cc1cccs1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013495745 555409246 /nfs/dbraw/zinc/40/92/46/555409246.db2.gz FWXNCRBYEUMIIU-HXUWFJFHSA-N 1 2 480.594 3.601 40 0 JHABLO CCOc1ccc2[nH]c(=O)c([C@H](c3nnnn3CCc3ccccc3)[NH+]3CCC(C)CC3)cc2c1 ZINC000013496092 555410905 /nfs/dbraw/zinc/41/09/05/555410905.db2.gz LHCSBGQBBLYVBR-RUZDIDTESA-N 1 2 472.593 3.977 40 0 JHABLO COCCn1nnnc1[C@H](C(C)C)[N@H+](Cc1ccc(F)cc1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000013498687 555423371 /nfs/dbraw/zinc/42/33/71/555423371.db2.gz KVHWAHOVFYNDDR-DEOSSOPVSA-N 1 2 494.571 3.708 40 0 JHABLO COCCn1nnnc1[C@H](C(C)C)[N@@H+](Cc1ccc(F)cc1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000013498687 555423373 /nfs/dbraw/zinc/42/33/73/555423373.db2.gz KVHWAHOVFYNDDR-DEOSSOPVSA-N 1 2 494.571 3.708 40 0 JHABLO Cc1cc(C)c2cc(C[N@@H+](CCO)[C@H](c3nnnn3C3CCCCC3)C(C)C)c(=O)[nH]c2c1 ZINC000013499077 555428016 /nfs/dbraw/zinc/42/80/16/555428016.db2.gz UBBJISUHERUFOZ-QHCPKHFHSA-N 1 2 452.603 3.828 40 0 JHABLO Cc1cc(C)c2cc(C[N@H+](CCO)[C@H](c3nnnn3C3CCCCC3)C(C)C)c(=O)[nH]c2c1 ZINC000013499077 555428018 /nfs/dbraw/zinc/42/80/18/555428018.db2.gz UBBJISUHERUFOZ-QHCPKHFHSA-N 1 2 452.603 3.828 40 0 JHABLO CCC[C@H](c1nnnn1C1CCCC1)[N@H+](CCCO)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000013499511 555432292 /nfs/dbraw/zinc/43/22/92/555432292.db2.gz ZWXIWXWOZPABNA-HSZRJFAPSA-N 1 2 452.603 3.972 40 0 JHABLO CCC[C@H](c1nnnn1C1CCCC1)[N@@H+](CCCO)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000013499511 555432295 /nfs/dbraw/zinc/43/22/95/555432295.db2.gz ZWXIWXWOZPABNA-HSZRJFAPSA-N 1 2 452.603 3.972 40 0 JHABLO CCOC(=O)Cn1nnnc1[C@@H](C(C)C)[N@H+](Cc1ccccc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013500311 555438940 /nfs/dbraw/zinc/43/89/40/555438940.db2.gz BYSMXIOUPNPMSX-RUZDIDTESA-N 1 2 488.592 3.786 40 0 JHABLO CCOC(=O)Cn1nnnc1[C@@H](C(C)C)[N@@H+](Cc1ccccc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013500311 555438944 /nfs/dbraw/zinc/43/89/44/555438944.db2.gz BYSMXIOUPNPMSX-RUZDIDTESA-N 1 2 488.592 3.786 40 0 JHABLO Cc1cc(C)c2[nH]c(=O)c(C[N@@H+](CCCO)[C@H](c3nnnn3Cc3ccccc3)C(C)C)cc2c1 ZINC000013500569 555441363 /nfs/dbraw/zinc/44/13/63/555441363.db2.gz SYXCMOQMJKJCNF-VWLOTQADSA-N 1 2 474.609 3.761 40 0 JHABLO Cc1cc(C)c2[nH]c(=O)c(C[N@H+](CCCO)[C@H](c3nnnn3Cc3ccccc3)C(C)C)cc2c1 ZINC000013500569 555441366 /nfs/dbraw/zinc/44/13/66/555441366.db2.gz SYXCMOQMJKJCNF-VWLOTQADSA-N 1 2 474.609 3.761 40 0 JHABLO Cc1cc(C)c2[nH]c(=O)c(C[N@@H+](CCCO)[C@@H](c3nnnn3Cc3ccccc3)C(C)C)cc2c1 ZINC000013500568 555441525 /nfs/dbraw/zinc/44/15/25/555441525.db2.gz SYXCMOQMJKJCNF-RUZDIDTESA-N 1 2 474.609 3.761 40 0 JHABLO Cc1cc(C)c2[nH]c(=O)c(C[N@H+](CCCO)[C@@H](c3nnnn3Cc3ccccc3)C(C)C)cc2c1 ZINC000013500568 555441527 /nfs/dbraw/zinc/44/15/27/555441527.db2.gz SYXCMOQMJKJCNF-RUZDIDTESA-N 1 2 474.609 3.761 40 0 JHABLO CCC[C@@H](c1nnnn1CCc1ccccc1)[N@H+](CCCO)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013501037 555446769 /nfs/dbraw/zinc/44/67/69/555446769.db2.gz WXCBSBODRMJCCQ-VWLOTQADSA-N 1 2 474.609 3.792 40 0 JHABLO CCC[C@@H](c1nnnn1CCc1ccccc1)[N@@H+](CCCO)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013501037 555446773 /nfs/dbraw/zinc/44/67/73/555446773.db2.gz WXCBSBODRMJCCQ-VWLOTQADSA-N 1 2 474.609 3.792 40 0 JHABLO CCC[C@@H](c1nnnn1Cc1ccccc1)[N@H+](CCCO)Cc1cc2cc(OCC)ccc2[nH]c1=O ZINC000013501059 555446796 /nfs/dbraw/zinc/44/67/96/555446796.db2.gz XEVNWJPMCHFTRL-VWLOTQADSA-N 1 2 490.608 3.687 40 0 JHABLO CCC[C@@H](c1nnnn1Cc1ccccc1)[N@@H+](CCCO)Cc1cc2cc(OCC)ccc2[nH]c1=O ZINC000013501059 555446802 /nfs/dbraw/zinc/44/68/02/555446802.db2.gz XEVNWJPMCHFTRL-VWLOTQADSA-N 1 2 490.608 3.687 40 0 JHABLO CCCC[C@@H](c1nnnn1C[C@H]1CCCO1)[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000013504337 555463234 /nfs/dbraw/zinc/46/32/34/555463234.db2.gz OVAXHLSCAMWCRY-UXHICEINSA-N 1 2 452.525 3.924 40 0 JHABLO COc1ccc(CCn2nnnc2[C@H](C(C)C)[NH+]2CCN(c3ccccc3F)CC2)cc1OC ZINC000013505554 555466882 /nfs/dbraw/zinc/46/68/82/555466882.db2.gz HTPZOQPUPUPYDL-DEOSSOPVSA-N 1 2 468.577 3.591 40 0 JHABLO CCC[C@@H](c1nnnn1C(C)(C)CC)N(CC[NH+]1CCOCC1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000022928413 555978942 /nfs/dbraw/zinc/97/89/42/555978942.db2.gz LGOWYAXYOVQPKO-DEOSSOPVSA-N 1 2 495.672 3.644 40 0 JHABLO CC[C@H](c1nnnn1C1CCCCC1)N(CC[NH+]1CCOCC1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000022928447 555978979 /nfs/dbraw/zinc/97/89/79/555978979.db2.gz XCGYBWDBPQRFKZ-XMMPIXPASA-N 1 2 493.656 3.614 40 0 JHABLO Cc1ccc([C@H](c2nnnn2C2CCCC2)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)cc1 ZINC000022928609 555979714 /nfs/dbraw/zinc/97/97/14/555979714.db2.gz ROLANKIXEWZQRE-RUZDIDTESA-N 1 2 460.582 3.733 40 0 JHABLO C[C@H]1Cc2ccccc2N1C(=O)c1ccc(S(=O)(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000019498276 556349016 /nfs/dbraw/zinc/34/90/16/556349016.db2.gz QPIFONHFMWRECB-NRFANRHFSA-N 1 2 475.614 3.785 40 0 JHABLO CC[N@H+](Cc1ccccc1)[C@@H](c1nnnn1Cc1ccccc1)c1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000019526631 556351608 /nfs/dbraw/zinc/35/16/08/556351608.db2.gz JFCSPIHBSAHXQB-AREMUKBSSA-N 1 2 494.555 3.903 40 0 JHABLO CC[N@@H+](Cc1ccccc1)[C@@H](c1nnnn1Cc1ccccc1)c1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000019526631 556351611 /nfs/dbraw/zinc/35/16/11/556351611.db2.gz JFCSPIHBSAHXQB-AREMUKBSSA-N 1 2 494.555 3.903 40 0 JHABLO O=C(C[C@@H]1C(=O)N(CCCn2cc[nH+]c2)c2nc3ccccc3n21)Nc1ccc(F)c(F)c1 ZINC000019819489 556387998 /nfs/dbraw/zinc/38/79/98/556387998.db2.gz RGDGJZFFTHMINU-HXUWFJFHSA-N 1 2 450.449 3.518 40 0 JHABLO Cc1cccc(NC(=O)CSC2=[NH+][C@H]3CS(=O)(=O)C[C@@H]3N2Cc2ccc(Cl)cc2)c1C ZINC000032640286 556461645 /nfs/dbraw/zinc/46/16/45/556461645.db2.gz UMPSTVQGZVBXFZ-PMACEKPBSA-N 1 2 478.039 3.666 40 0 JHABLO O=C(c1cccc(F)c1)N1CCC(O)(c2csc(C[N@@H+]3CCc4ccccc4C3)n2)CC1 ZINC000225474907 560043025 /nfs/dbraw/zinc/04/30/25/560043025.db2.gz YYRZSPGZWDPZOW-UHFFFAOYSA-N 1 2 451.567 3.964 40 0 biogenic,in-vitro JHABLO O=C(c1cccc(F)c1)N1CCC(O)(c2csc(C[N@H+]3CCc4ccccc4C3)n2)CC1 ZINC000225474907 560043026 /nfs/dbraw/zinc/04/30/26/560043026.db2.gz YYRZSPGZWDPZOW-UHFFFAOYSA-N 1 2 451.567 3.964 40 0 biogenic,in-vitro JHABLO Cc1cc(C)c2[nH]c(=O)c([C@H](c3nnnn3Cc3ccc4c(c3)OCO4)[NH+]3CCC(C)CC3)cc2c1 ZINC000008582597 562939806 /nfs/dbraw/zinc/93/98/06/562939806.db2.gz SLLDYEGVVSGPNE-RUZDIDTESA-N 1 2 486.576 3.730 40 0 JHABLO Cc1ccc(S(=O)(=O)N2CCC[C@H]2c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)[nH+]c2)cc1 ZINC000072216412 569700521 /nfs/dbraw/zinc/70/05/21/569700521.db2.gz NUURSEIPFLPDOC-QFIPXVFZSA-N 1 2 486.638 3.973 40 0 JHABLO O=C(NCC[NH+]1CCOCC1)c1cc(-c2csc(-c3ccc(F)cc3)n2)n2ccccc12 ZINC000096154880 569736708 /nfs/dbraw/zinc/73/67/08/569736708.db2.gz OIJCNKKTQAKWBI-UHFFFAOYSA-N 1 2 450.539 3.931 40 0 JHABLO CCN(CC(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1)S(=O)(=O)c1ccc2ccccc2c1 ZINC000039986001 569813071 /nfs/dbraw/zinc/81/30/71/569813071.db2.gz RRLIIRKJSAXOGN-DHZHZOJOSA-N 1 2 477.630 3.708 40 0 JHABLO O=C(CN(c1ccccc1)S(=O)(=O)c1ccc(F)cc1)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000216468919 569878986 /nfs/dbraw/zinc/87/89/86/569878986.db2.gz NRPMQUNBGZGEHZ-UHFFFAOYSA-N 1 2 464.522 3.523 40 0 JHABLO Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CC[NH+]2CCOCC2)c(C)n1C1CCCC1 ZINC000223136959 569900727 /nfs/dbraw/zinc/90/07/27/569900727.db2.gz PJYGOVZOSNOBQU-ZEQRLZLVSA-N 1 2 453.656 3.920 40 0 JHABLO Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC[NH+]2CCOCC2)c(C)n1Cc1cccnc1 ZINC000223171592 569901940 /nfs/dbraw/zinc/90/19/40/569901940.db2.gz DKZUCMPBBHBXKG-CLJLJLNGSA-N 1 2 490.677 3.638 40 0 JHABLO COC(=O)c1c(NC(=O)c2ccc(C)cc2I)sc2c1CC[N@H+](C)C2 ZINC000225027617 569970082 /nfs/dbraw/zinc/97/00/82/569970082.db2.gz FTQXXEAPTJUDNF-UHFFFAOYSA-N 1 2 470.332 3.688 40 0 JHABLO COC(=O)c1c(NC(=O)c2ccc(C)cc2I)sc2c1CC[N@@H+](C)C2 ZINC000225027617 569970084 /nfs/dbraw/zinc/97/00/84/569970084.db2.gz FTQXXEAPTJUDNF-UHFFFAOYSA-N 1 2 470.332 3.688 40 0 JHABLO Cc1ccc(N(CC(=O)NCCCn2cc[nH+]c2)S(=O)(=O)c2ccc(Cl)cc2)cc1C ZINC000408629930 569981887 /nfs/dbraw/zinc/98/18/87/569981887.db2.gz KPYNRMYUBCELRX-UHFFFAOYSA-N 1 2 460.987 3.555 40 0 JHABLO COc1ccc(NC(=O)C2=C(C)[NH+]=C3N=CNN3[C@H]2c2cc(Br)ccc2OC)cc1 ZINC000408703805 570023495 /nfs/dbraw/zinc/02/34/95/570023495.db2.gz HJVVCXBNGCKMEH-IBGZPJMESA-N 1 2 470.327 3.638 40 0 JHABLO CCC[C@]1(C(=O)OCC)[NH2+][C@H](c2cccs2)[C@@H]2C(=O)N(c3cccc(C(C)=O)c3)C(=O)[C@@H]21 ZINC000231644407 570046845 /nfs/dbraw/zinc/04/68/45/570046845.db2.gz KEUXWOYRIDJUSH-FIXDAVPBSA-N 1 2 454.548 3.503 40 0 JHABLO CNC(=O)c1cccc([C@@H]2CN(C(=O)c3cccc(OCc4cccc(F)c4)c3)CC[N@@H+]2C)c1 ZINC000257225509 570115767 /nfs/dbraw/zinc/11/57/67/570115767.db2.gz FGNOXVWXXIHMEL-VWLOTQADSA-N 1 2 461.537 3.893 40 0 JHABLO CNC(=O)c1cccc([C@@H]2CN(C(=O)c3cccc(OCc4cccc(F)c4)c3)CC[N@H+]2C)c1 ZINC000257225509 570115768 /nfs/dbraw/zinc/11/57/68/570115768.db2.gz FGNOXVWXXIHMEL-VWLOTQADSA-N 1 2 461.537 3.893 40 0 JHABLO Cc1ccc(-c2csc(NC(=O)C[NH+]3CCC4(CN(S(C)(=O)=O)C(C)(C)C4)CC3)n2)cc1 ZINC000257285357 570134217 /nfs/dbraw/zinc/13/42/17/570134217.db2.gz PGRYXTVQURNFSA-UHFFFAOYSA-N 1 2 476.668 3.583 40 0 JHABLO COc1ccc(-c2csc(NC(=O)C[N@@H+]3CC[C@](C)(O)[C@@H](Oc4cccc(F)c4)C3)n2)cc1 ZINC000257292097 570136057 /nfs/dbraw/zinc/13/60/57/570136057.db2.gz QJYPPSVJWFBHBT-URXFXBBRSA-N 1 2 471.554 3.801 40 0 JHABLO COc1ccc(-c2csc(NC(=O)C[N@H+]3CC[C@](C)(O)[C@@H](Oc4cccc(F)c4)C3)n2)cc1 ZINC000257292097 570136058 /nfs/dbraw/zinc/13/60/58/570136058.db2.gz QJYPPSVJWFBHBT-URXFXBBRSA-N 1 2 471.554 3.801 40 0 JHABLO Cc1[nH+]c2ccccc2n1CCC(=O)N1CCC2(CO[C@H]([C@@]3(C)CC[C@@H](C(C)(C)O)O3)C2)CC1 ZINC000257295663 570137163 /nfs/dbraw/zinc/13/71/63/570137163.db2.gz QZINSGCYQDYUQP-JCYRPKCISA-N 1 2 469.626 3.841 40 0 JHABLO C[C@]1(C2CCN(C(=O)c3cccc(Cn4cc[nH+]c4)c3)CC2)CN(c2ccccc2)C(=O)CO1 ZINC000257312056 570142195 /nfs/dbraw/zinc/14/21/95/570142195.db2.gz UMGWPHXSKWKETO-HHHXNRCGSA-N 1 2 458.562 3.606 40 0 JHABLO C[C@]1(O)C[N@H+](CC(=O)Nc2ncc(Cc3ccccc3F)s2)CC[C@@H]1Oc1cccc(F)c1 ZINC000257312822 570142424 /nfs/dbraw/zinc/14/24/24/570142424.db2.gz UPSDNCYKPMJDNT-URXFXBBRSA-N 1 2 473.545 3.855 40 0 JHABLO C[C@]1(O)C[N@@H+](CC(=O)Nc2ncc(Cc3ccccc3F)s2)CC[C@@H]1Oc1cccc(F)c1 ZINC000257312822 570142425 /nfs/dbraw/zinc/14/24/25/570142425.db2.gz UPSDNCYKPMJDNT-URXFXBBRSA-N 1 2 473.545 3.855 40 0 JHABLO COc1cccc(-c2cnc(N)nc2[C@@H]2CCCN2C(=O)c2ccccc2C[NH+]2CCOCC2)c1 ZINC000257325184 570145950 /nfs/dbraw/zinc/14/59/50/570145950.db2.gz WRWCXTGDGHWPSV-DEOSSOPVSA-N 1 2 473.577 3.544 40 0 JHABLO COc1cc(C(=O)N2CCOC[C@H](Cc3ccc4[nH+]ccn4c3)C2)ccc1OCc1ccccn1 ZINC000257343740 570151585 /nfs/dbraw/zinc/15/15/85/570151585.db2.gz ZUFHLJXMZGLQCF-OAQYLSRUSA-N 1 2 472.545 3.648 40 0 JHABLO CCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@@H]2c1cc(Br)ccc1OC ZINC000261362119 570167405 /nfs/dbraw/zinc/16/74/05/570167405.db2.gz CFHCBPVMOWLKSF-FQEVSTJZSA-O 1 2 488.387 3.933 40 0 JHABLO CCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@H]2c1cn(C(C)=O)c2ccccc12 ZINC000261364102 570168358 /nfs/dbraw/zinc/16/83/58/570168358.db2.gz JGNNCGKAALHGSF-HSZRJFAPSA-O 1 2 460.539 3.777 40 0 JHABLO C[C@H](CO)Nc1nc(NCc2cc(F)cc(F)c2)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000328982530 570180577 /nfs/dbraw/zinc/18/05/77/570180577.db2.gz HBGPFYLYYBWBSS-GFCCVEGCSA-N 1 2 454.399 3.569 40 0 JHABLO C[C@H](CO)Nc1nc(Nc2ccc(I)cc2Cl)cc(-c2ccccc2)[nH+]1 ZINC000329066374 570183776 /nfs/dbraw/zinc/18/37/76/570183776.db2.gz YARKEPXCEDLVNV-GFCCVEGCSA-N 1 2 480.737 3.782 40 0 JHABLO Cc1ccc(S(=O)(=O)N(CC(=O)NCCCn2cc[nH+]c2)c2cccc(Cl)c2Cl)cc1 ZINC000408564291 570202515 /nfs/dbraw/zinc/20/25/15/570202515.db2.gz VBMBNGXYWWNNDQ-UHFFFAOYSA-N 1 2 481.405 3.900 40 0 JHABLO COc1ccc2cc(C[N@H+](CCc3ccccc3)Cc3nnnn3Cc3ccc(F)cc3)c(=O)[nH]c2c1 ZINC000001372999 194106952 /nfs/dbraw/zinc/10/69/52/194106952.db2.gz UFXCWSQMFQBBTH-UHFFFAOYSA-N 1 2 498.562 3.956 40 0 JHABLO COc1ccc2cc(C[N@@H+](CCc3ccccc3)Cc3nnnn3Cc3ccc(F)cc3)c(=O)[nH]c2c1 ZINC000001372999 194106956 /nfs/dbraw/zinc/10/69/56/194106956.db2.gz UFXCWSQMFQBBTH-UHFFFAOYSA-N 1 2 498.562 3.956 40 0 JHABLO COc1ccc2[nH]c(=O)c([C@H](c3nnnn3Cc3ccc(F)cc3)[N@@H+]3CCC[C@@H](C)C3)cc2c1 ZINC000012712441 195095575 /nfs/dbraw/zinc/09/55/75/195095575.db2.gz YGCNNMGUUPFIAT-WAIKUNEKSA-N 1 2 462.529 3.532 40 0 JHABLO COc1ccc2[nH]c(=O)c([C@H](c3nnnn3Cc3ccc(F)cc3)[N@H+]3CCC[C@@H](C)C3)cc2c1 ZINC000012712441 195095578 /nfs/dbraw/zinc/09/55/78/195095578.db2.gz YGCNNMGUUPFIAT-WAIKUNEKSA-N 1 2 462.529 3.532 40 0 JHABLO CC[C@H](c1nnnn1CCOC)[N@H+](Cc1ccc(OC)cc1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000057640850 195354505 /nfs/dbraw/zinc/35/45/05/195354505.db2.gz VNMALYLUAYMSHJ-XMMPIXPASA-N 1 2 476.581 3.632 40 0 JHABLO CC[C@H](c1nnnn1CCOC)[N@@H+](Cc1ccc(OC)cc1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000057640850 195354508 /nfs/dbraw/zinc/35/45/08/195354508.db2.gz VNMALYLUAYMSHJ-XMMPIXPASA-N 1 2 476.581 3.632 40 0 JHABLO CC[C@@H](c1nnnn1CCOC)[N@H+](Cc1cccs1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000057640868 195354534 /nfs/dbraw/zinc/35/45/34/195354534.db2.gz GWMBMFGAURJQPI-NRFANRHFSA-N 1 2 452.584 3.684 40 0 JHABLO CC[C@@H](c1nnnn1CCOC)[N@@H+](Cc1cccs1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000057640868 195354536 /nfs/dbraw/zinc/35/45/36/195354536.db2.gz GWMBMFGAURJQPI-NRFANRHFSA-N 1 2 452.584 3.684 40 0 JHABLO CC[C@H](c1nnnn1C[C@@H]1CCCO1)[N@H+](Cc1ccccc1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000057640990 195354932 /nfs/dbraw/zinc/35/49/32/195354932.db2.gz VUUBSPMEXPGBDN-UKILVPOCSA-N 1 2 488.592 3.856 40 0 JHABLO CC[C@H](c1nnnn1C[C@@H]1CCCO1)[N@@H+](Cc1ccccc1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000057640990 195354936 /nfs/dbraw/zinc/35/49/36/195354936.db2.gz VUUBSPMEXPGBDN-UKILVPOCSA-N 1 2 488.592 3.856 40 0 JHABLO CCOC(=O)Cn1nnnc1[C@@H](CC)[N@H+](Cc1cccs1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000008617336 520920245 /nfs/dbraw/zinc/92/02/45/520920245.db2.gz WPNFDWYFZRJCME-OAQYLSRUSA-N 1 2 480.594 3.601 40 0 JHABLO CCOC(=O)Cn1nnnc1[C@@H](CC)[N@@H+](Cc1cccs1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000008617336 520920252 /nfs/dbraw/zinc/92/02/52/520920252.db2.gz WPNFDWYFZRJCME-OAQYLSRUSA-N 1 2 480.594 3.601 40 0 JHABLO CCC[C@@]1(C(=O)OCC)[NH2+][C@@H](c2cccs2)[C@H]2C(=O)N(c3cccc(C(C)=O)c3)C(=O)[C@@H]21 ZINC000012498132 520947083 /nfs/dbraw/zinc/94/70/83/520947083.db2.gz KEUXWOYRIDJUSH-CMCWBKRRSA-N 1 2 454.548 3.503 40 0 JHABLO CCC[C@@]1(C(=O)OCC)[NH2+][C@@H](c2cccs2)[C@H]2C(=O)N(c3ccc(OCC)cc3)C(=O)[C@H]21 ZINC000020150696 520948123 /nfs/dbraw/zinc/94/81/23/520948123.db2.gz IGDYNVPJCWRFIT-AZXNSQLWSA-N 1 2 456.564 3.699 40 0 JHABLO CCOc1ccc(S(=O)(=O)N(CC(=O)NCc2ccccc2-n2cc[nH+]c2)c2ccccc2)cc1 ZINC000044838664 521186079 /nfs/dbraw/zinc/18/60/79/521186079.db2.gz APLDGJZKURONRO-UHFFFAOYSA-N 1 2 490.585 3.783 40 0 JHABLO CCOc1ccc2[nH]c(=O)c([C@@H](c3nnnn3Cc3ccc(OC)cc3)[NH+]3CCCCC3)cc2c1 ZINC000006196872 521283598 /nfs/dbraw/zinc/28/35/98/521283598.db2.gz GULGQIOREWAWPQ-DEOSSOPVSA-N 1 2 474.565 3.546 40 0 JHABLO CS(=O)(=O)N(CC(=O)NCc1ccc(-n2cc[nH+]c2)cc1)c1cc(C(F)(F)F)ccc1Cl ZINC000020493478 525149529 /nfs/dbraw/zinc/14/95/29/525149529.db2.gz VOTZWAWPXCJYCT-UHFFFAOYSA-N 1 2 486.903 3.627 40 0 JHABLO Cc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000044899908 525523105 /nfs/dbraw/zinc/52/31/05/525523105.db2.gz LZHANFKPGCXHBM-UHFFFAOYSA-N 1 2 452.580 3.531 40 0 JHABLO O=C(C[NH+]1CCCCC1)Nc1nc(-c2ccc3c(c2)CCN3S(=O)(=O)c2ccccc2)cs1 ZINC000006173197 526737038 /nfs/dbraw/zinc/73/70/38/526737038.db2.gz PDDBNVIESZYJKR-UHFFFAOYSA-N 1 2 482.631 3.986 40 0 JHABLO Cc1ccc(NC(=S)N(CC[NH+]2CCOCC2)Cc2cc3ccc(C)cc3[nH]c2=O)c(C)c1 ZINC000000884997 553823690 /nfs/dbraw/zinc/82/36/90/553823690.db2.gz SFXHCBMVMCUZAG-UHFFFAOYSA-N 1 2 464.635 3.985 40 0 JHABLO COCCn1nnnc1[C@@H](c1cc2cc(C)ccc2[nH]c1=O)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000006409161 554534637 /nfs/dbraw/zinc/53/46/37/554534637.db2.gz JWKDQUHGOPTCAI-RUZDIDTESA-N 1 2 472.593 3.514 40 0 JHABLO O=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)C1CC[NH+](Cc2ccccc2F)CC1 ZINC000009063521 554881324 /nfs/dbraw/zinc/88/13/24/554881324.db2.gz VZUUQGUHZAFUHL-UHFFFAOYSA-N 1 2 474.583 3.934 40 0 JHABLO CCOC(=O)Cn1nnnc1[C@H](CC)[N@H+](Cc1ccc(F)cc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013495010 555406842 /nfs/dbraw/zinc/40/68/42/555406842.db2.gz OWBMWNMGTOIHFK-QHCPKHFHSA-N 1 2 492.555 3.679 40 0 JHABLO CCOC(=O)Cn1nnnc1[C@H](CC)[N@@H+](Cc1ccc(F)cc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013495010 555406845 /nfs/dbraw/zinc/40/68/45/555406845.db2.gz OWBMWNMGTOIHFK-QHCPKHFHSA-N 1 2 492.555 3.679 40 0 JHABLO COc1ccc(CCn2nnnc2[C@H](C(C)C)[NH+]2CCN(c3ccc(F)cc3)CC2)cc1OC ZINC000013505556 555466900 /nfs/dbraw/zinc/46/69/00/555466900.db2.gz HUQKDGDSHFHKEG-DEOSSOPVSA-N 1 2 468.577 3.591 40 0 JHABLO CCN(c1ccc2sc(C(=O)N3CC[NH+](C)CC3)cc2c1)S(=O)(=O)c1ccc(C)cc1 ZINC000013610009 555533952 /nfs/dbraw/zinc/53/39/52/555533952.db2.gz XERVAPBWEBLPBW-UHFFFAOYSA-N 1 2 457.621 3.813 40 0 JHABLO CC[NH+](CC)CN1c2ccc(Br)cc2[C@]2(NCCc3c4ccccc4[nH]c32)C1=O ZINC000013635326 555544599 /nfs/dbraw/zinc/54/45/99/555544599.db2.gz GVXQCPAKRRRHTN-HSZRJFAPSA-N 1 2 453.384 3.966 40 0 JHABLO CCc1ccc2[nH]c(=O)c(CN(CC[NH+]3CCOCC3)C(=O)Nc3ccc(F)cc3)cc2c1 ZINC000020109205 555644938 /nfs/dbraw/zinc/64/49/38/555644938.db2.gz INELWRWXFXLKIB-UHFFFAOYSA-N 1 2 452.530 3.596 40 0 JHABLO COc1ccccc1NC(=O)N(CC[NH+]1CCOCC1)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000020109195 555644984 /nfs/dbraw/zinc/64/49/84/555644984.db2.gz SKTXBSFYMJTDSF-UHFFFAOYSA-N 1 2 464.566 3.520 40 0 JHABLO Cc1ccc([C@H](c2nnnn2Cc2cccs2)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)cc1 ZINC000020141874 555663557 /nfs/dbraw/zinc/66/35/57/555663557.db2.gz BZFLBBSIFUXTDF-RUZDIDTESA-N 1 2 488.617 3.727 40 0 JHABLO Cc1ccc([C@@H](c2nnnn2Cc2cccs2)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)cc1 ZINC000020141877 555663595 /nfs/dbraw/zinc/66/35/95/555663595.db2.gz BZFLBBSIFUXTDF-VWLOTQADSA-N 1 2 488.617 3.727 40 0 JHABLO CCOC(=O)[C@]1(CCSC)[NH2+][C@@H](c2cccs2)[C@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@H]21 ZINC000020150669 555666992 /nfs/dbraw/zinc/66/69/92/555666992.db2.gz JIXWTDPBVVIZQY-KEXUJGGDSA-N 1 2 458.605 3.562 40 0 JHABLO CCC[C@]1(C(=O)OCC)[NH2+][C@H](c2ccccc2C)[C@H]2C(=O)N(c3cccc(C(C)=O)c3)C(=O)[C@@H]21 ZINC000020150793 555667477 /nfs/dbraw/zinc/66/74/77/555667477.db2.gz PJMDWFBVLPZOAQ-MTPWMDRRSA-N 1 2 462.546 3.750 40 0 JHABLO O=C1C[C@H](c2cc(F)cc(F)c2)Cc2nc(N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)ncc21 ZINC000020555730 555808064 /nfs/dbraw/zinc/80/80/64/555808064.db2.gz OOEHJLCAADLZOG-GOSISDBHSA-N 1 2 478.499 3.718 40 0 JHABLO COc1ccccc1C[NH+]1CCN([C@@H](c2nnnn2Cc2cccs2)c2ccc(F)cc2)CC1 ZINC000022929769 555982431 /nfs/dbraw/zinc/98/24/31/555982431.db2.gz WFVXNSPSXQGXME-XMMPIXPASA-N 1 2 478.597 3.838 40 0 JHABLO CCOC(=O)[C@]1(Cc2ccccc2)[NH2+][C@@H](c2cccs2)[C@H]2C(=O)N(c3ccccc3F)C(=O)[C@H]21 ZINC000019529823 556352636 /nfs/dbraw/zinc/35/26/36/556352636.db2.gz CYEDKSCPCAGLAV-OYSWMMLKSA-N 1 2 478.545 3.882 40 0 JHABLO C[C@@H](C(=O)NCc1ccccc1-n1cc[nH+]c1)N(c1cc(Cl)ccc1Cl)S(C)(=O)=O ZINC000030853961 556379052 /nfs/dbraw/zinc/37/90/52/556379052.db2.gz KPOPRJMZONEIPI-AWEZNQCLSA-N 1 2 467.378 3.650 40 0 JHABLO Cc1cccc2cc(CN(CC[NH+]3CCOCC3)C(=S)Nc3ccc(F)cc3)c(=O)[nH]c12 ZINC000019823555 556393964 /nfs/dbraw/zinc/39/39/64/556393964.db2.gz BRNQENXCKHLTTP-UHFFFAOYSA-N 1 2 454.571 3.507 40 0 JHABLO CCOC(=O)[C@H]1[C@H](c2cc(OC)c(OC)c(OC)c2)c2cc3c(cc2O[C@@]1(C)[NH+]1CCCC1)OCO3 ZINC000031430179 556397269 /nfs/dbraw/zinc/39/72/69/556397269.db2.gz AYIQTEGLGSNULP-FKCDAAJZSA-N 1 2 499.560 3.957 40 0 JHABLO O=C(COc1ccccc1)N1CCC(O)(c2csc(C[N@@H+]3CCc4ccccc4C3)n2)CC1 ZINC000225475177 560043022 /nfs/dbraw/zinc/04/30/22/560043022.db2.gz VLEVZAPFBFXRJG-UHFFFAOYSA-N 1 2 463.603 3.590 40 0 biogenic,in-vitro JHABLO O=C(COc1ccccc1)N1CCC(O)(c2csc(C[N@H+]3CCc4ccccc4C3)n2)CC1 ZINC000225475177 560043023 /nfs/dbraw/zinc/04/30/23/560043023.db2.gz VLEVZAPFBFXRJG-UHFFFAOYSA-N 1 2 463.603 3.590 40 0 biogenic,in-vitro JHABLO CC[C@@H](c1nnnn1C[C@H]1CCCO1)[N@H+](Cc1cccs1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000033936989 569638085 /nfs/dbraw/zinc/63/80/85/569638085.db2.gz KPNPYHWRSWJQTI-OFNKIYASSA-N 1 2 494.621 3.917 40 0 JHABLO CC[C@@H](c1nnnn1C[C@H]1CCCO1)[N@@H+](Cc1cccs1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000033936989 569638087 /nfs/dbraw/zinc/63/80/87/569638087.db2.gz KPNPYHWRSWJQTI-OFNKIYASSA-N 1 2 494.621 3.917 40 0 JHABLO CC[C@H](c1nnnn1C[C@H]1CCCO1)[N@H+](Cc1cccs1)Cc1cc2ccc(OC)cc2[nH]c1=O ZINC000033937008 569638457 /nfs/dbraw/zinc/63/84/57/569638457.db2.gz PAKOTLLFRHYDHD-NFBKMPQASA-N 1 2 494.621 3.917 40 0 JHABLO CC[C@H](c1nnnn1C[C@H]1CCCO1)[N@@H+](Cc1cccs1)Cc1cc2ccc(OC)cc2[nH]c1=O ZINC000033937008 569638458 /nfs/dbraw/zinc/63/84/58/569638458.db2.gz PAKOTLLFRHYDHD-NFBKMPQASA-N 1 2 494.621 3.917 40 0 JHABLO O=C(c1c[nH]c2ccccc12)[C@H](O)[C@H](c1ccc(Cl)cc1)[NH+]1CCN(c2ncccn2)CC1 ZINC000101016515 569779469 /nfs/dbraw/zinc/77/94/69/569779469.db2.gz NDYCSJAWPGSONL-LADGPHEKSA-N 1 2 461.953 3.718 40 0 JHABLO CCOc1ccc2[nH]c(=O)c([C@H](c3nnnn3C[C@H]3CCCO3)[N@H+](CC)Cc3ccccc3)cc2c1 ZINC000222511070 569885055 /nfs/dbraw/zinc/88/50/55/569885055.db2.gz IHAIHTGVOVNSMU-RCZVLFRGSA-N 1 2 488.592 3.704 40 0 JHABLO CCOc1ccc2[nH]c(=O)c([C@H](c3nnnn3C[C@H]3CCCO3)[N@@H+](CC)Cc3ccccc3)cc2c1 ZINC000222511070 569885056 /nfs/dbraw/zinc/88/50/56/569885056.db2.gz IHAIHTGVOVNSMU-RCZVLFRGSA-N 1 2 488.592 3.704 40 0 JHABLO CC[C@H](NC(=O)c1ccc(CS(=O)(=O)N2CC[NH+](C)CC2)cc1)c1ccc2c(c1)CCCC2 ZINC000223111676 569899788 /nfs/dbraw/zinc/89/97/88/569899788.db2.gz RCFRFBYNLPPVMX-VWLOTQADSA-N 1 2 469.651 3.524 40 0 JHABLO S=C1N[C@@H](c2ccccn2)[C@H](c2cccn2-c2nc3ccccc3s2)N1CC[NH+]1CCOCC1 ZINC000223130392 569900439 /nfs/dbraw/zinc/90/04/39/569900439.db2.gz IGALUBFJHHRXDD-GOTSBHOMSA-N 1 2 490.658 3.787 40 0 JHABLO Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CC[NH+]2CCOCC2)c(C)n1Cc1ccccc1 ZINC000223138010 569900785 /nfs/dbraw/zinc/90/07/85/569900785.db2.gz DSCOUVSSNTYBOR-UIOOFZCWSA-N 1 2 475.662 3.853 40 0 JHABLO Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC[NH+]2CCOCC2)c(C)n1Cc1ccncc1 ZINC000223171910 569901932 /nfs/dbraw/zinc/90/19/32/569901932.db2.gz MNCVPHJIPHXEGL-FTJBHMTQSA-N 1 2 490.677 3.638 40 0 JHABLO Cc1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC[NH+]2CCOCC2)cc1 ZINC000223193770 569902867 /nfs/dbraw/zinc/90/28/67/569902867.db2.gz FSTZDMRLLUFWEF-JWQCQUIFSA-N 1 2 461.635 3.876 40 0 JHABLO Cc1ccccc1C(=O)N/C(=C\c1ccco1)C(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000223272961 569905688 /nfs/dbraw/zinc/90/56/88/569905688.db2.gz RFAMKRZCSFPAHW-UQQQWYQISA-N 1 2 459.546 3.508 40 0 JHABLO Cc1ccccc1NS(=O)(=O)c1cc(C(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)ccc1C ZINC000224557347 569948343 /nfs/dbraw/zinc/94/83/43/569948343.db2.gz BOUNVXBZSVCJLV-UHFFFAOYSA-N 1 2 493.629 3.866 40 0 JHABLO O=C(C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000408598030 569967838 /nfs/dbraw/zinc/96/78/38/569967838.db2.gz YYDUEGKGBYJLKI-QPJJXVBHSA-N 1 2 488.053 3.598 40 0 JHABLO COC(=O)c1c2c(sc1NC(=O)c1ccccc1NS(=O)(=O)c1ccccc1)C[N@@H+](C)CC2 ZINC000408607532 569971461 /nfs/dbraw/zinc/97/14/61/569971461.db2.gz MSZBNTKWJJUHGH-UHFFFAOYSA-N 1 2 485.587 3.576 40 0 JHABLO COC(=O)c1c2c(sc1NC(=O)c1ccccc1NS(=O)(=O)c1ccccc1)C[N@H+](C)CC2 ZINC000408607532 569971462 /nfs/dbraw/zinc/97/14/62/569971462.db2.gz MSZBNTKWJJUHGH-UHFFFAOYSA-N 1 2 485.587 3.576 40 0 JHABLO O=C(CN(Cc1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1)NCCCn1cc[nH+]c1 ZINC000408623245 569979248 /nfs/dbraw/zinc/97/92/48/569979248.db2.gz RWAWWOLRIQWJIF-UHFFFAOYSA-N 1 2 481.405 3.587 40 0 JHABLO Cc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)NCc2ccccc2C[NH+]2CCOCC2)cc1 ZINC000225870382 570025869 /nfs/dbraw/zinc/02/58/69/570025869.db2.gz YVHGICHGXBGMMV-UQQQWYQISA-N 1 2 475.614 3.976 40 0 JHABLO CN1C(=O)C2(C[C@H]1Cc1cccc(F)c1)CCN(C(=O)c1ccccc1Cn1cc[nH+]c1)CC2 ZINC000257216528 570112995 /nfs/dbraw/zinc/11/29/95/570112995.db2.gz CUXBDOCMUNQGTE-HSZRJFAPSA-N 1 2 460.553 3.766 40 0 JHABLO O=C(c1ccccc1OCC[NH+]1CCOCC1)N1CCC[C@H](Cc2ccc3cc[nH]c3n2)CC1 ZINC000257244691 570121432 /nfs/dbraw/zinc/12/14/32/570121432.db2.gz IMJNNWONOKPOJV-NRFANRHFSA-N 1 2 462.594 3.759 40 0 JHABLO CN(C)c1cc([C@H]2CCCN2C(=O)C2(C)CCN(C(=O)Cc3ccccc3F)CC2)cc[nH+]1 ZINC000257250193 570123228 /nfs/dbraw/zinc/12/32/28/570123228.db2.gz JLLHTZIXGPROCW-JOCHJYFZSA-N 1 2 452.574 3.822 40 0 JHABLO Cc1nc(C[N@@H+]2CCC[C@@](COc3ccc(Cl)c(C)c3)(CC(=O)N3CCOCC3)C2)co1 ZINC000257253929 570124339 /nfs/dbraw/zinc/12/43/39/570124339.db2.gz KAXDXLWGSREHEO-XMMPIXPASA-N 1 2 461.990 3.855 40 0 JHABLO Cc1nc(C[N@H+]2CCC[C@@](COc3ccc(Cl)c(C)c3)(CC(=O)N3CCOCC3)C2)co1 ZINC000257253929 570124340 /nfs/dbraw/zinc/12/43/40/570124340.db2.gz KAXDXLWGSREHEO-XMMPIXPASA-N 1 2 461.990 3.855 40 0 JHABLO CCCn1c2ccc(NC(=O)CN3CC[N@H+](C)[C@H](c4ccc(OC(C)C)cc4)C3)cc2oc1=O ZINC000257265253 570128107 /nfs/dbraw/zinc/12/81/07/570128107.db2.gz LXWVNASVZUQBJF-QHCPKHFHSA-N 1 2 466.582 3.719 40 0 JHABLO CCCn1c2ccc(NC(=O)CN3CC[N@@H+](C)[C@H](c4ccc(OC(C)C)cc4)C3)cc2oc1=O ZINC000257265253 570128108 /nfs/dbraw/zinc/12/81/08/570128108.db2.gz LXWVNASVZUQBJF-QHCPKHFHSA-N 1 2 466.582 3.719 40 0 JHABLO CC(C)C[C@]1(O)CC[N@H+](CC(=O)Nc2ccc3c(c2)OCCCO3)C[C@@H]1Oc1ccc(F)cc1 ZINC000257279448 570132567 /nfs/dbraw/zinc/13/25/67/570132567.db2.gz OGSKSTOBJKHCGS-AZGAKELHSA-N 1 2 472.557 3.856 40 0 JHABLO CC(C)C[C@]1(O)CC[N@@H+](CC(=O)Nc2ccc3c(c2)OCCCO3)C[C@@H]1Oc1ccc(F)cc1 ZINC000257279448 570132568 /nfs/dbraw/zinc/13/25/68/570132568.db2.gz OGSKSTOBJKHCGS-AZGAKELHSA-N 1 2 472.557 3.856 40 0 JHABLO Cc1nn(C)c(C)c1C[N@@H+]1CCO[C@](COc2ccc(Cl)cc2)(CC(=O)N2CCCCC2)C1 ZINC000257284854 570134059 /nfs/dbraw/zinc/13/40/59/570134059.db2.gz PEOLVUJAHDHOLJ-RUZDIDTESA-N 1 2 475.033 3.743 40 0 JHABLO Cc1nn(C)c(C)c1C[N@H+]1CCO[C@](COc2ccc(Cl)cc2)(CC(=O)N2CCCCC2)C1 ZINC000257284854 570134060 /nfs/dbraw/zinc/13/40/60/570134060.db2.gz PEOLVUJAHDHOLJ-RUZDIDTESA-N 1 2 475.033 3.743 40 0 JHABLO CCOc1ccc2nc(NC(=O)C[N@@H+]3CC[C@H](Oc4cccc(F)c4)[C@@](C)(O)C3)sc2c1 ZINC000257317329 570143679 /nfs/dbraw/zinc/14/36/79/570143679.db2.gz VJIJUEKSHKXIAG-REWPJTCUSA-N 1 2 459.543 3.677 40 0 JHABLO CCOc1ccc2nc(NC(=O)C[N@H+]3CC[C@H](Oc4cccc(F)c4)[C@@](C)(O)C3)sc2c1 ZINC000257317329 570143680 /nfs/dbraw/zinc/14/36/80/570143680.db2.gz VJIJUEKSHKXIAG-REWPJTCUSA-N 1 2 459.543 3.677 40 0 JHABLO C[C@]1(O)CC[N@H+](CC(=O)Nc2ccc(Br)cc2)C[C@@H]1Oc1cccc(Cl)c1 ZINC000257325100 570145942 /nfs/dbraw/zinc/14/59/42/570145942.db2.gz WRLGDHLVYBRAQQ-ICSRJNTNSA-N 1 2 453.764 3.945 40 0 JHABLO C[C@]1(O)CC[N@@H+](CC(=O)Nc2ccc(Br)cc2)C[C@@H]1Oc1cccc(Cl)c1 ZINC000257325100 570145943 /nfs/dbraw/zinc/14/59/43/570145943.db2.gz WRLGDHLVYBRAQQ-ICSRJNTNSA-N 1 2 453.764 3.945 40 0 JHABLO CC(=O)N1[C@@H]2CCC[C@@H]3N(C(=O)C[N@@H+](C)Cc4ccccn4)[C@@H](C[C@@]32C)[C@@H]1Cc1ccccc1 ZINC000257334677 570148959 /nfs/dbraw/zinc/14/89/59/570148959.db2.gz YGYMJXCNRBWPDM-NLMMERCGSA-N 1 2 460.622 3.515 40 0 JHABLO CC(=O)N1[C@@H]2CCC[C@@H]3N(C(=O)C[N@H+](C)Cc4ccccn4)[C@@H](C[C@@]32C)[C@@H]1Cc1ccccc1 ZINC000257334677 570148960 /nfs/dbraw/zinc/14/89/60/570148960.db2.gz YGYMJXCNRBWPDM-NLMMERCGSA-N 1 2 460.622 3.515 40 0 JHABLO CC1(C)CC2(CN1S(C)(=O)=O)CC[NH+](CC(=O)Nc1ccc(Oc3ccccc3)cc1)CC2 ZINC000257337375 570149748 /nfs/dbraw/zinc/14/97/48/570149748.db2.gz YSNPTWHPGMIGEQ-UHFFFAOYSA-N 1 2 471.623 3.944 40 0 JHABLO O=C(C[C@@]1(COc2ccc(Cl)cc2)C[N@H+](Cc2cccc(Cl)c2)CCO1)N1CCOCC1 ZINC000257342570 570151162 /nfs/dbraw/zinc/15/11/62/570151162.db2.gz ZPGUMSCKRROFMW-DEOSSOPVSA-N 1 2 479.404 3.892 40 0 JHABLO O=C(C[C@@]1(COc2ccc(Cl)cc2)C[N@@H+](Cc2cccc(Cl)c2)CCO1)N1CCOCC1 ZINC000257342570 570151163 /nfs/dbraw/zinc/15/11/63/570151163.db2.gz ZPGUMSCKRROFMW-DEOSSOPVSA-N 1 2 479.404 3.892 40 0 JHABLO CCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@H]2c1ccccc1Br ZINC000261363524 570168102 /nfs/dbraw/zinc/16/81/02/570168102.db2.gz HITOXSDFCBAGOB-LJQANCHMSA-O 1 2 458.361 3.925 40 0 JHABLO CCC(=O)N1c2ccccc2-c2c(=O)[nH]c(SC)n[n+]2[C@H]1c1ccc(OC)c(Br)c1 ZINC000261365279 570168905 /nfs/dbraw/zinc/16/89/05/570168905.db2.gz RBJSDLBYFKOIIW-FQEVSTJZSA-O 1 2 488.387 3.933 40 0 JHABLO O=C(c1nc([C@@H]2CCCN2C(=O)c2ccccc2)n2ccccc12)N1CCN(c2cccc[nH+]2)CC1 ZINC000306130403 570178217 /nfs/dbraw/zinc/17/82/17/570178217.db2.gz JFFBORQFTTVQLU-QHCPKHFHSA-N 1 2 480.572 3.669 40 0 JHABLO O=c1cccc2n1C[C@H]1C[C@@H]2CN(c2nc(NCCC3=CCCCC3)[nH+]c(N3CCCC3)n2)C1 ZINC000001075408 194018064 /nfs/dbraw/zinc/01/80/64/194018064.db2.gz MKMYGHARUNLULF-LEWJYISDSA-N 1 2 461.614 3.560 40 0 JHABLO O=c1cccc2n1C[C@H]1C[C@@H]2CN(c2nc(N3CCCC3)nc(NCCC3=CCCCC3)[nH+]2)C1 ZINC000001075408 194018067 /nfs/dbraw/zinc/01/80/67/194018067.db2.gz MKMYGHARUNLULF-LEWJYISDSA-N 1 2 461.614 3.560 40 0 JHABLO Cc1ccc2[nH]c(=O)c(CN(CC[NH+]3CCOCC3)C(=O)Nc3ccc(Cl)cc3)cc2c1 ZINC000001353095 194099918 /nfs/dbraw/zinc/09/99/18/194099918.db2.gz NHKQOMYOAXCVIF-UHFFFAOYSA-N 1 2 454.958 3.856 40 0 JHABLO Cc1cc(C)c2cc(CN(CC[NH+]3CCOCC3)C(=O)Nc3ccc(F)cc3)c(=O)[nH]c2c1 ZINC000001371271 194105406 /nfs/dbraw/zinc/10/54/06/194105406.db2.gz AAYQJYJDHGBHNH-UHFFFAOYSA-N 1 2 452.530 3.650 40 0 JHABLO CC[N@H+](Cc1ccccc1)[C@H](c1nnnn1C[C@@H]1CCCO1)c1cc2c(C)cc(C)cc2[nH]c1=O ZINC000057584909 195350924 /nfs/dbraw/zinc/35/09/24/195350924.db2.gz BJVLHQYCDIPNCW-OFVILXPXSA-N 1 2 472.593 3.922 40 0 JHABLO CC[N@@H+](Cc1ccccc1)[C@H](c1nnnn1C[C@@H]1CCCO1)c1cc2c(C)cc(C)cc2[nH]c1=O ZINC000057584909 195350926 /nfs/dbraw/zinc/35/09/26/195350926.db2.gz BJVLHQYCDIPNCW-OFVILXPXSA-N 1 2 472.593 3.922 40 0 JHABLO CC[C@@H](c1nnnn1C[C@@H]1CCCO1)[N@H+](Cc1cccs1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000057641010 195355193 /nfs/dbraw/zinc/35/51/93/195355193.db2.gz KPNPYHWRSWJQTI-REWPJTCUSA-N 1 2 494.621 3.917 40 0 JHABLO CC[C@@H](c1nnnn1C[C@@H]1CCCO1)[N@@H+](Cc1cccs1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000057641010 195355194 /nfs/dbraw/zinc/35/51/94/195355194.db2.gz KPNPYHWRSWJQTI-REWPJTCUSA-N 1 2 494.621 3.917 40 0 JHABLO COc1ccc2cc([C@@H](c3nnnn3C3CCCCC3)[NH+]3CCCCCC3)c3nnnn3c2c1 ZINC000057675112 195357314 /nfs/dbraw/zinc/35/73/14/195357314.db2.gz ZNQTUCOJLSKCHU-QFIPXVFZSA-N 1 2 461.574 3.743 40 0 JHABLO CCOC(=O)[C@@]1(Cc2ccccc2)[NH2+][C@@H](c2cccs2)[C@H]2C(=O)N(c3ccccc3F)C(=O)[C@@H]21 ZINC000012497461 521184106 /nfs/dbraw/zinc/18/41/06/521184106.db2.gz CYEDKSCPCAGLAV-MSZDEVHKSA-N 1 2 478.545 3.882 40 0 JHABLO CCOc1ccc2[nH]c(=O)c([C@@H](c3nnnn3Cc3ccc(OC)cc3)[NH+]3CCC(C)CC3)cc2c1 ZINC000006196868 521284170 /nfs/dbraw/zinc/28/41/70/521284170.db2.gz NYJNQZPYBNHPSK-VWLOTQADSA-N 1 2 488.592 3.792 40 0 JHABLO Cc1cc(C)c2[nH]c(=O)c(C[N@@H+](CCCO)[C@@H](c3nnnn3C3CCCC3)C(C)C)cc2c1 ZINC000013500564 524340375 /nfs/dbraw/zinc/34/03/75/524340375.db2.gz XCDNVSYABDGBTC-HSZRJFAPSA-N 1 2 452.603 3.828 40 0 JHABLO Cc1cc(C)c2[nH]c(=O)c(C[N@H+](CCCO)[C@@H](c3nnnn3C3CCCC3)C(C)C)cc2c1 ZINC000013500564 524340381 /nfs/dbraw/zinc/34/03/81/524340381.db2.gz XCDNVSYABDGBTC-HSZRJFAPSA-N 1 2 452.603 3.828 40 0 JHABLO COc1ccc(N(CC(=O)NCc2ccc(-n3cc[nH+]c3)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000022431094 524360293 /nfs/dbraw/zinc/36/02/93/524360293.db2.gz FFOVYIMSTBAIRI-UHFFFAOYSA-N 1 2 490.585 3.701 40 0 JHABLO Cc1ccc(Cn2nnnc2C[NH+]2CCC(n3nnc4cc(C(F)(F)F)ccc43)CC2)cc1 ZINC000004388335 524780076 /nfs/dbraw/zinc/78/00/76/524780076.db2.gz HUAUEZQIBAMCFR-UHFFFAOYSA-N 1 2 456.476 3.630 40 0 JHABLO Cc1ccccc1NS(=O)(=O)c1ccc(NC(=O)c2cccc(C[NH+]3CCOCC3)c2)cc1 ZINC000020452053 525271519 /nfs/dbraw/zinc/27/15/19/525271519.db2.gz OLGXAUDTBVJCML-UHFFFAOYSA-N 1 2 465.575 3.880 40 0 JHABLO CCC(C)(C)n1nnnc1C[N@H+](CCc1ccccc1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000000927726 553864781 /nfs/dbraw/zinc/86/47/81/553864781.db2.gz IGENOPIVVVJAPB-UHFFFAOYSA-N 1 2 460.582 3.913 40 0 JHABLO CCC(C)(C)n1nnnc1C[N@@H+](CCc1ccccc1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000000927726 553864784 /nfs/dbraw/zinc/86/47/84/553864784.db2.gz IGENOPIVVVJAPB-UHFFFAOYSA-N 1 2 460.582 3.913 40 0 JHABLO CC[C@@H](c1nnnn1C1CCCC1)[N@@H+](Cc1cc2cc3c(cc2[nH]c1=O)OCCO3)C[C@H]1CCCO1 ZINC000001325200 553941800 /nfs/dbraw/zinc/94/18/00/553941800.db2.gz DRLMYAJNPULDOL-IRLDBZIGSA-N 1 2 494.596 3.533 40 0 JHABLO CC[C@@H](c1nnnn1C1CCCC1)[N@H+](Cc1cc2cc3c(cc2[nH]c1=O)OCCO3)C[C@H]1CCCO1 ZINC000001325200 553941802 /nfs/dbraw/zinc/94/18/02/553941802.db2.gz DRLMYAJNPULDOL-IRLDBZIGSA-N 1 2 494.596 3.533 40 0 JHABLO COc1ccccc1N1CCN(C(=O)CSc2[nH+]cnc3c2cnn3-c2ccc(C)cc2)CC1 ZINC000001346366 553955317 /nfs/dbraw/zinc/95/53/17/553955317.db2.gz HKWXQLJTMSHYPD-UHFFFAOYSA-N 1 2 474.590 3.573 40 0 JHABLO COc1ccc(Cn2nnnc2[C@@H](c2cc3cc(C)cc(C)c3[nH]c2=O)[NH+]2CCCCC2)cc1 ZINC000006301182 554529928 /nfs/dbraw/zinc/52/99/28/554529928.db2.gz MIDTYNOBNOPHKF-XMMPIXPASA-N 1 2 458.566 3.764 40 0 JHABLO COc1ccc(Cn2nnnc2[C@@H](c2cc3cc(C)c(C)cc3[nH]c2=O)[NH+]2CCCCC2)cc1 ZINC000006321389 554530874 /nfs/dbraw/zinc/53/08/74/554530874.db2.gz NCRVWAPSEVQSEO-XMMPIXPASA-N 1 2 458.566 3.764 40 0 JHABLO COc1ccc(Cn2nnnc2[C@@H](c2cc3cc(C)ccc3[nH]c2=O)[NH+]2CCC(C)CC2)cc1 ZINC000006409321 554534673 /nfs/dbraw/zinc/53/46/73/554534673.db2.gz HOMOSZCBEVOBAA-XMMPIXPASA-N 1 2 458.566 3.701 40 0 JHABLO CC[C@@H](c1nnnn1CCc1ccccc1)[N@H+](CCCO)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013496020 555410415 /nfs/dbraw/zinc/41/04/15/555410415.db2.gz VVMGWYLXMCYJLZ-DEOSSOPVSA-N 1 2 474.609 3.710 40 0 JHABLO CC[C@@H](c1nnnn1CCc1ccccc1)[N@@H+](CCCO)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013496020 555410416 /nfs/dbraw/zinc/41/04/16/555410416.db2.gz VVMGWYLXMCYJLZ-DEOSSOPVSA-N 1 2 474.609 3.710 40 0 JHABLO CC[C@@H](c1nnnn1C1CCCCC1)[N@H+](CCCO)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013496008 555410512 /nfs/dbraw/zinc/41/05/12/555410512.db2.gz MWYLEPZXTMOSQZ-QFIPXVFZSA-N 1 2 452.603 3.972 40 0 JHABLO CC[C@@H](c1nnnn1C1CCCCC1)[N@@H+](CCCO)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013496008 555410514 /nfs/dbraw/zinc/41/05/14/555410514.db2.gz MWYLEPZXTMOSQZ-QFIPXVFZSA-N 1 2 452.603 3.972 40 0 JHABLO COCCn1nnnc1[C@@H](C(C)C)[N@H+](Cc1ccco1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000013498978 555426714 /nfs/dbraw/zinc/42/67/14/555426714.db2.gz XKVQKUZNELPESS-HSZRJFAPSA-N 1 2 464.570 3.770 40 0 JHABLO COCCn1nnnc1[C@@H](C(C)C)[N@@H+](Cc1ccco1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000013498978 555426719 /nfs/dbraw/zinc/42/67/19/555426719.db2.gz XKVQKUZNELPESS-HSZRJFAPSA-N 1 2 464.570 3.770 40 0 JHABLO CCC(C)(C)n1nnnc1[C@@H](C(C)C)[N@@H+](Cc1cc2cc3c(cc2[nH]c1=O)OCO3)C[C@@H]1CCCO1 ZINC000013500416 555440178 /nfs/dbraw/zinc/44/01/78/555440178.db2.gz DHDICBDYNLDILM-WMZHIEFXSA-N 1 2 496.612 3.767 40 0 JHABLO CCC(C)(C)n1nnnc1[C@@H](C(C)C)[N@H+](Cc1cc2cc3c(cc2[nH]c1=O)OCO3)C[C@@H]1CCCO1 ZINC000013500416 555440180 /nfs/dbraw/zinc/44/01/80/555440180.db2.gz DHDICBDYNLDILM-WMZHIEFXSA-N 1 2 496.612 3.767 40 0 JHABLO CCC[C@H](c1nnnn1Cc1ccccc1)[N@H+](CCCO)Cc1cc2cc(OCC)ccc2[nH]c1=O ZINC000013501058 555446930 /nfs/dbraw/zinc/44/69/30/555446930.db2.gz XEVNWJPMCHFTRL-RUZDIDTESA-N 1 2 490.608 3.687 40 0 JHABLO CCC[C@H](c1nnnn1Cc1ccccc1)[N@@H+](CCCO)Cc1cc2cc(OCC)ccc2[nH]c1=O ZINC000013501058 555446934 /nfs/dbraw/zinc/44/69/34/555446934.db2.gz XEVNWJPMCHFTRL-RUZDIDTESA-N 1 2 490.608 3.687 40 0 JHABLO O=C([C@@H]1CCCN(S(=O)(=O)CCCc2ccccc2)C1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000019934281 555551558 /nfs/dbraw/zinc/55/15/58/555551558.db2.gz YFVBPKZVMQFYOK-AXVLYVPRSA-N 1 2 495.689 3.519 40 0 JHABLO COc1ccc(NC(=O)N(CC[NH+]2CCOCC2)Cc2cc3ccc(C)c(C)c3[nH]c2=O)cc1 ZINC000020109173 555644643 /nfs/dbraw/zinc/64/46/43/555644643.db2.gz PLODRRHMKKDLNS-UHFFFAOYSA-N 1 2 464.566 3.520 40 0 JHABLO COc1ccc2cc(CN(CC[NH+]3CCOCC3)C(=O)Nc3ccccc3Cl)c(=O)[nH]c2c1 ZINC000020109218 555644948 /nfs/dbraw/zinc/64/49/48/555644948.db2.gz XWCWKLNJNZFPOU-UHFFFAOYSA-N 1 2 470.957 3.556 40 0 JHABLO COc1ccc(C[N@@H+]2C[C@H](O)C[C@H]2c2nc(-c3ccc(OC(F)(F)F)cc3)no2)c(OC)c1OC ZINC000015674273 555933386 /nfs/dbraw/zinc/93/33/86/555933386.db2.gz QYAVIQNIEDBOAB-WBVHZDCISA-N 1 2 495.454 3.969 40 0 biogenic,in-vitro JHABLO COc1ccc(C[N@H+]2C[C@H](O)C[C@H]2c2nc(-c3ccc(OC(F)(F)F)cc3)no2)c(OC)c1OC ZINC000015674273 555933387 /nfs/dbraw/zinc/93/33/87/555933387.db2.gz QYAVIQNIEDBOAB-WBVHZDCISA-N 1 2 495.454 3.969 40 0 biogenic,in-vitro JHABLO O=C1Nc2c(cccc2C(F)(F)F)[C@]12[C@H]1C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]1[C@H]1CCC[N@@H+]12 ZINC000012375016 555961936 /nfs/dbraw/zinc/96/19/36/555961936.db2.gz JACTYZJSKFLAHC-WBYLCXCBSA-N 1 2 475.854 3.790 40 0 JHABLO O=C1Nc2c(cccc2C(F)(F)F)[C@]12[C@H]1C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]1[C@H]1CCC[N@H+]12 ZINC000012375016 555961940 /nfs/dbraw/zinc/96/19/40/555961940.db2.gz JACTYZJSKFLAHC-WBYLCXCBSA-N 1 2 475.854 3.790 40 0 JHABLO CC[C@H](c1nnnn1C1CCCCC1)N(CC[NH+]1CCOCC1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000022928460 555979431 /nfs/dbraw/zinc/97/94/31/555979431.db2.gz QVBUJUIRAREGMS-RUZDIDTESA-N 1 2 493.656 3.614 40 0 JHABLO O=C1C[C@H](N2CC[NH+](Cc3ccc(Cl)cc3)CC2)C(=O)N1c1ccc(Br)cc1 ZINC000022941678 555992838 /nfs/dbraw/zinc/99/28/38/555992838.db2.gz NAONEYFLWZUOHD-IBGZPJMESA-N 1 2 462.775 3.552 40 0 JHABLO O=C(Nc1ccc(S(=O)(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1F)c1ccccc1F ZINC000023511043 556076431 /nfs/dbraw/zinc/07/64/31/556076431.db2.gz WJDQGNXLDYMZEZ-UHFFFAOYSA-N 1 2 471.529 3.724 40 0 JHABLO Cc1ccc2[nH]c(=O)c(CN(CC[NH+]3CCOCC3)C(=S)N[C@H](C)c3ccccc3)cc2c1 ZINC000026099825 556241175 /nfs/dbraw/zinc/24/11/75/556241175.db2.gz ZAKWNVNMUOFMKL-HXUWFJFHSA-N 1 2 464.635 3.606 40 0 JHABLO O[C@H](COc1c(F)cc(Br)cc1F)CN1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000026919810 556266201 /nfs/dbraw/zinc/26/62/01/556266201.db2.gz FAUWJJNCQIHFQX-KRWDZBQOSA-N 1 2 475.761 3.938 40 0 JHABLO CN=[S@@](=O)(OCC[NH+](C)CCO[S@](=O)(=NC)c1ccc(C)cc1)c1ccc(C)cc1 ZINC000018142254 556293163 /nfs/dbraw/zinc/29/31/63/556293163.db2.gz KAYIOQLXZOCTSI-KYJUHHDHSA-N 1 2 453.630 3.712 40 0 JHABLO Cc1cccc2cc(C[N@H+](CCc3ccccc3)Cc3nnnn3Cc3ccco3)c(=O)[nH]c12 ZINC000019236493 556337389 /nfs/dbraw/zinc/33/73/89/556337389.db2.gz ROGIFHFRJXCZKQ-UHFFFAOYSA-N 1 2 454.534 3.709 40 0 JHABLO Cc1cccc2cc(C[N@@H+](CCc3ccccc3)Cc3nnnn3Cc3ccco3)c(=O)[nH]c12 ZINC000019236493 556337391 /nfs/dbraw/zinc/33/73/91/556337391.db2.gz ROGIFHFRJXCZKQ-UHFFFAOYSA-N 1 2 454.534 3.709 40 0 JHABLO COc1ccc(NC(=O)NC[C@@H]2C=C(C)[C@H](CC(=O)NCC[NH+]3CCOCC3)C[C@H]2C(C)C)cc1 ZINC000030879980 556386427 /nfs/dbraw/zinc/38/64/27/556386427.db2.gz UHTFMFLBBQOPLC-HWBMXIPRSA-N 1 2 486.657 3.510 40 0 biogenic,in-vitro JHABLO CC1=C[C@@H](CNC(=O)c2cccnc2)[C@H](C(C)C)C[C@H]1CC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000030881668 556386783 /nfs/dbraw/zinc/38/67/83/556386783.db2.gz RTADAPXZTAVLOI-SDHOMARFSA-N 1 2 475.637 3.800 40 0 biogenic,in-vitro JHABLO O=c1[nH]c2cc3c(cc2cc1[C@H](c1nnnn1Cc1ccccc1)[NH+]1CCCCCC1)OCCO3 ZINC000008680580 562951016 /nfs/dbraw/zinc/95/10/16/562951016.db2.gz LLYNHRNCFLHUEF-XMMPIXPASA-N 1 2 472.549 3.712 40 0 JHABLO Cc1cc(C)c2[nH]c(=O)c([C@@H](c3nnnn3Cc3ccc4c(c3)OCO4)[NH+]3CCCC3)cc2c1 ZINC000008716780 562954749 /nfs/dbraw/zinc/95/47/49/562954749.db2.gz BMWFDPQGQFDPHU-QHCPKHFHSA-N 1 2 458.522 3.506 40 0 JHABLO CNc1nc(N2C[C@H](C(=O)NC3CCCCC3)CC[C@H]2C)cc(-c2ccc3c(N)n[nH]c3c2)[nH+]1 ZINC000208012575 569874853 /nfs/dbraw/zinc/87/48/53/569874853.db2.gz QLPHOXTXAKOFMU-NVXWUHKLSA-N 1 2 462.602 3.698 40 0 JHABLO S=C1N[C@H](c2ccccn2)[C@@H](c2cccn2-c2nc3ccccc3s2)N1CC[NH+]1CCOCC1 ZINC000223130332 569900443 /nfs/dbraw/zinc/90/04/43/569900443.db2.gz IGALUBFJHHRXDD-DHIUTWEWSA-N 1 2 490.658 3.787 40 0 JHABLO Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC[NH+]2CCOCC2)c(C)n1Cc1cccnc1 ZINC000223171710 569901950 /nfs/dbraw/zinc/90/19/50/569901950.db2.gz DKZUCMPBBHBXKG-IZZNHLLZSA-N 1 2 490.677 3.638 40 0 JHABLO Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC[NH+]2CCOCC2)c(C)n1-c1cccnc1 ZINC000223173873 569902033 /nfs/dbraw/zinc/90/20/33/569902033.db2.gz AKGRGLQRIWDSHB-LOSJGSFVSA-N 1 2 476.650 3.579 40 0 JHABLO COc1cc(C)c([C@H](C)NC(=O)c2ccc(CS(=O)(=O)N3CC[NH+](C)CC3)cc2)cc1C(C)C ZINC000223356879 569908536 /nfs/dbraw/zinc/90/85/36/569908536.db2.gz ZGABHRPUKWYPKR-FQEVSTJZSA-N 1 2 487.666 3.695 40 0 JHABLO O=C(CCc1ccccc1)N(Cc1ccccc1)[C@H](C(=O)NCC[NH+]1CCOCC1)c1ccccc1 ZINC000223359233 569908627 /nfs/dbraw/zinc/90/86/27/569908627.db2.gz PZLOHGBGWHHQAU-LJAQVGFWSA-N 1 2 485.628 3.838 40 0 JHABLO Cc1ccc(S(=O)(=O)Nc2cc(C(=O)NCc3ccc(C[NH+]4CCOCC4)cc3)ccc2C)cc1 ZINC000224562018 569948533 /nfs/dbraw/zinc/94/85/33/569948533.db2.gz ZOBPPNYAWUFPJB-UHFFFAOYSA-N 1 2 493.629 3.866 40 0 JHABLO Cc1c(NS(=O)(=O)c2ccccc2)cccc1C(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000224727284 569954955 /nfs/dbraw/zinc/95/49/55/569954955.db2.gz VIEMZFLXGWDXPJ-UHFFFAOYSA-N 1 2 479.602 3.558 40 0 JHABLO CCOc1ccc(S(=O)(=O)NCCCn2cc[nH+]c2)cc1NC(=O)c1ccc(Cl)cc1 ZINC000408594933 569965863 /nfs/dbraw/zinc/96/58/63/569965863.db2.gz PYGLMFWBFVFILA-UHFFFAOYSA-N 1 2 462.959 3.556 40 0 JHABLO Cc1ccc(S(=O)(=O)N(CC(=O)NCCCn2cc[nH+]c2)Cc2ccc(Cl)cc2Cl)cc1 ZINC000408617337 569976171 /nfs/dbraw/zinc/97/61/71/569976171.db2.gz ASABOFGCQXISPA-UHFFFAOYSA-N 1 2 495.432 3.896 40 0 JHABLO Cc1ccc(S(=O)(=O)NCCCn2cc[nH+]c2)cc1C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000408636231 569986418 /nfs/dbraw/zinc/98/64/18/569986418.db2.gz MGIXELSEJPGBSX-UHFFFAOYSA-N 1 2 466.485 3.831 40 0 JHABLO O=C(CCc1nc(-c2cccc3ccccc32)no1)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000225829679 570023867 /nfs/dbraw/zinc/02/38/67/570023867.db2.gz PTFNFWXHBSTRTC-UHFFFAOYSA-N 1 2 470.529 3.896 40 0 JHABLO CCOC(=O)[C@]1(CCSC)[NH2+][C@H](c2cccs2)[C@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@H]21 ZINC000245229988 570056324 /nfs/dbraw/zinc/05/63/24/570056324.db2.gz JIXWTDPBVVIZQY-PABYOWBDSA-N 1 2 458.605 3.562 40 0 JHABLO CCN(CC)C(=O)C[C@@H]1CCN2C[C@@H]1/C=C\COc1ccccc1C[N@H+](Cc1ccncc1)CC2=O ZINC000253404216 570096929 /nfs/dbraw/zinc/09/69/29/570096929.db2.gz QWCQLIFFQNICAQ-DBFYEMIUSA-N 1 2 490.648 3.756 40 0 JHABLO CCN(CC)C(=O)C[C@@H]1CCN2C[C@@H]1/C=C\COc1ccccc1C[N@@H+](Cc1ccncc1)CC2=O ZINC000253404216 570096930 /nfs/dbraw/zinc/09/69/30/570096930.db2.gz QWCQLIFFQNICAQ-DBFYEMIUSA-N 1 2 490.648 3.756 40 0 JHABLO CCC[C@H](c1nnnn1CC(=O)OCC)[N@@H+](Cc1cc2c(C)cc(C)cc2[nH]c1=O)C[C@H]1CCCO1 ZINC000253500327 570101620 /nfs/dbraw/zinc/10/16/20/570101620.db2.gz CODOBWPOQRSYOQ-NFBKMPQASA-N 1 2 496.612 3.629 40 0 JHABLO CCC[C@H](c1nnnn1CC(=O)OCC)[N@H+](Cc1cc2c(C)cc(C)cc2[nH]c1=O)C[C@H]1CCCO1 ZINC000253500327 570101622 /nfs/dbraw/zinc/10/16/22/570101622.db2.gz CODOBWPOQRSYOQ-NFBKMPQASA-N 1 2 496.612 3.629 40 0 JHABLO CC[C@H](c1nnnn1C[C@H]1CCCO1)[N@@H+](Cc1cc2cc(C)ccc2[nH]c1=O)C[C@H]1CCCO1 ZINC000253500493 570102039 /nfs/dbraw/zinc/10/20/39/570102039.db2.gz QZHAPWWYUMDJSK-MQSCRBSSSA-N 1 2 466.586 3.547 40 0 JHABLO CC[C@H](c1nnnn1C[C@H]1CCCO1)[N@H+](Cc1cc2cc(C)ccc2[nH]c1=O)C[C@H]1CCCO1 ZINC000253500493 570102040 /nfs/dbraw/zinc/10/20/40/570102040.db2.gz QZHAPWWYUMDJSK-MQSCRBSSSA-N 1 2 466.586 3.547 40 0 JHABLO CC(C)(C)c1ccc(C(=O)N2CCC(C(=O)N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)CC2)cc1 ZINC000409055147 570111356 /nfs/dbraw/zinc/11/13/56/570111356.db2.gz WNAKSFYSPROEGC-UHFFFAOYSA-N 1 2 491.632 3.909 40 0 JHABLO Cc1nn(C)cc1NC(=O)C[N@@H+]1[C@H](c2cccc(C(F)(F)F)c2)C[C@]2(C)NC(=O)CCCC[C@H]12 ZINC000257219396 570114042 /nfs/dbraw/zinc/11/40/42/570114042.db2.gz DGQFEAJQMQOCNP-JTAQYXEDSA-N 1 2 477.531 3.950 40 0 JHABLO Cc1nn(C)cc1NC(=O)C[N@H+]1[C@H](c2cccc(C(F)(F)F)c2)C[C@]2(C)NC(=O)CCCC[C@H]12 ZINC000257219396 570114043 /nfs/dbraw/zinc/11/40/43/570114043.db2.gz DGQFEAJQMQOCNP-JTAQYXEDSA-N 1 2 477.531 3.950 40 0 JHABLO Cc1ccc(F)c(NC(=O)C[NH+]2CCC3(CC2)CN(S(=O)(=O)CC(C)C)CC(C)(C)C3)c1 ZINC000257255662 570124794 /nfs/dbraw/zinc/12/47/94/570124794.db2.gz KIJOCIFYYWHMSU-UHFFFAOYSA-N 1 2 467.651 3.873 40 0 JHABLO CC(C)C[C@]1(O)CC[N@H+](CC(=O)Nc2ccc3c(c2)OCCCO3)C[C@@H]1Oc1ccccc1 ZINC000257258585 570125855 /nfs/dbraw/zinc/12/58/55/570125855.db2.gz KUQXYCOADHHHSE-AZGAKELHSA-N 1 2 454.567 3.717 40 0 JHABLO CC(C)C[C@]1(O)CC[N@@H+](CC(=O)Nc2ccc3c(c2)OCCCO3)C[C@@H]1Oc1ccccc1 ZINC000257258585 570125856 /nfs/dbraw/zinc/12/58/56/570125856.db2.gz KUQXYCOADHHHSE-AZGAKELHSA-N 1 2 454.567 3.717 40 0 JHABLO COc1cccc(C[C@H]2CC[C@@H]3CN(C(=O)c4ccccc4OCC[NH+]4CCOCC4)C[C@H]23)c1 ZINC000257261705 570126825 /nfs/dbraw/zinc/12/68/25/570126825.db2.gz LIMBCAIVLRQINO-JQYIIUTOSA-N 1 2 464.606 3.747 40 0 JHABLO CC(C)Oc1ccc([C@@H]2CN(C(=O)c3cccc(OCCN4CCCC4=O)c3)CC[N@@H+]2C)cc1 ZINC000257264972 570127885 /nfs/dbraw/zinc/12/78/85/570127885.db2.gz LWUBIIXGHPUMNE-VWLOTQADSA-N 1 2 465.594 3.604 40 0 JHABLO CC(C)Oc1ccc([C@@H]2CN(C(=O)c3cccc(OCCN4CCCC4=O)c3)CC[N@H+]2C)cc1 ZINC000257264972 570127887 /nfs/dbraw/zinc/12/78/87/570127887.db2.gz LWUBIIXGHPUMNE-VWLOTQADSA-N 1 2 465.594 3.604 40 0 JHABLO CCc1[nH+]ccn1-c1cccc([C@@H]2CCCN2C(=O)c2ccc(OCCN3CCOCC3)cc2)n1 ZINC000257276631 570131597 /nfs/dbraw/zinc/13/15/97/570131597.db2.gz NUODKKWEWCMQSW-DEOSSOPVSA-N 1 2 475.593 3.518 40 0 JHABLO COc1ccccc1-c1ccc(CC2(C(=O)N[C@@H](C)C[NH+]3CCOCC3)CCOCC2)cc1 ZINC000257281023 570132976 /nfs/dbraw/zinc/13/29/76/570132976.db2.gz ONIWJCPFMFCIES-NRFANRHFSA-N 1 2 452.595 3.538 40 0 JHABLO C[C@]1(O)CC[N@H+](CC(=O)Nc2ncc(Cc3ccccc3F)s2)C[C@@H]1Oc1cccc(F)c1 ZINC000257285516 570134391 /nfs/dbraw/zinc/13/43/91/570134391.db2.gz PHMSFVXBISFIMY-URXFXBBRSA-N 1 2 473.545 3.855 40 0 JHABLO C[C@]1(O)CC[N@@H+](CC(=O)Nc2ncc(Cc3ccccc3F)s2)C[C@@H]1Oc1cccc(F)c1 ZINC000257285516 570134393 /nfs/dbraw/zinc/13/43/93/570134393.db2.gz PHMSFVXBISFIMY-URXFXBBRSA-N 1 2 473.545 3.855 40 0 JHABLO CC(C)CC(=O)N1CCN(C(=O)c2cccc(Cn3cc[nH+]c3)c2)C[C@H](Cc2ccccn2)C1 ZINC000257287661 570134931 /nfs/dbraw/zinc/13/49/31/570134931.db2.gz PQZPQAOPBKNDMX-HSZRJFAPSA-N 1 2 459.594 3.516 40 0 JHABLO C[C@]1(C2CCN(C(=O)c3cccc(Cn4cc[nH+]c4)c3)CC2)CN(Cc2ccccc2)C(=O)CO1 ZINC000257307821 570140738 /nfs/dbraw/zinc/14/07/38/570140738.db2.gz TUHJMXWSMKVFEC-MUUNZHRXSA-N 1 2 472.589 3.601 40 0 JHABLO CNC(=O)c1cccc([C@@H]2CN(CC(=O)Nc3ccc(Oc4ccccc4)cc3)CC[N@@H+]2C)c1 ZINC000257310608 570141623 /nfs/dbraw/zinc/14/16/23/570141623.db2.gz UFWLCMVQLMFNQG-VWLOTQADSA-N 1 2 458.562 3.766 40 0 JHABLO CNC(=O)c1cccc([C@@H]2CN(CC(=O)Nc3ccc(Oc4ccccc4)cc3)CC[N@H+]2C)c1 ZINC000257310608 570141624 /nfs/dbraw/zinc/14/16/24/570141624.db2.gz UFWLCMVQLMFNQG-VWLOTQADSA-N 1 2 458.562 3.766 40 0 JHABLO CCOc1ccc([C@H]2N(C(=O)CC)c3ccccc3-c3c(=O)[nH]c(SC)n[n+]32)cc1OC ZINC000261362789 570167703 /nfs/dbraw/zinc/16/77/03/570167703.db2.gz FCQZGCHDDVDXBP-QFIPXVFZSA-O 1 2 453.544 3.569 40 0 JHABLO CCCC(=O)N1c2ccccc2-c2c(=O)[nH]c(SC)n[n+]2[C@H]1c1cc2c(cc1Cl)OCO2 ZINC000261364855 570168668 /nfs/dbraw/zinc/16/86/68/570168668.db2.gz ODXCLHNDNBUDTG-NRFANRHFSA-O 1 2 471.946 3.934 40 0 JHABLO CCOc1ccc(S(=O)(=O)NCCCn2cc[nH+]c2)cc1NC(=O)c1cccc(Cl)c1 ZINC000408589728 570208909 /nfs/dbraw/zinc/20/89/09/570208909.db2.gz FFNZBVKQLYRMAB-UHFFFAOYSA-N 1 2 462.959 3.556 40 0 JHABLO O=C(C[NH+]1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1)Nc1ccc(Br)cc1 ZINC000001336464 194095549 /nfs/dbraw/zinc/09/55/49/194095549.db2.gz ANYVZWAZUJNKSK-UHFFFAOYSA-N 1 2 459.340 3.754 40 0 JHABLO O=c1[nH]c2cc3c(cc2cc1C[N@H+](Cc1nnnn1C1CCCCC1)C1CCCC1)OCO3 ZINC000001375774 194110404 /nfs/dbraw/zinc/11/04/04/194110404.db2.gz SYESBMVUOXKICB-UHFFFAOYSA-N 1 2 450.543 3.693 40 0 JHABLO O=c1[nH]c2cc3c(cc2cc1C[N@@H+](Cc1nnnn1C1CCCCC1)C1CCCC1)OCO3 ZINC000001375774 194110408 /nfs/dbraw/zinc/11/04/08/194110408.db2.gz SYESBMVUOXKICB-UHFFFAOYSA-N 1 2 450.543 3.693 40 0 JHABLO CC[C@H](c1nnnn1CCOC)[N@H+](Cc1cccs1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000057640869 195354587 /nfs/dbraw/zinc/35/45/87/195354587.db2.gz GWMBMFGAURJQPI-OAQYLSRUSA-N 1 2 452.584 3.684 40 0 JHABLO CC[C@H](c1nnnn1CCOC)[N@@H+](Cc1cccs1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000057640869 195354590 /nfs/dbraw/zinc/35/45/90/195354590.db2.gz GWMBMFGAURJQPI-OAQYLSRUSA-N 1 2 452.584 3.684 40 0 JHABLO CCOc1ccccc1N(CC(=O)NCc1ccccc1-n1cc[nH+]c1)S(=O)(=O)c1ccccc1 ZINC000020490935 521512488 /nfs/dbraw/zinc/51/24/88/521512488.db2.gz XKJPIAJZPBJARH-UHFFFAOYSA-N 1 2 490.585 3.783 40 0 JHABLO Cc1cc(Cl)ccc1C[C@@H](O)CN1CC[NH+](C[C@@H](O)COc2ccc(Cl)cc2C)CC1 ZINC000027530950 524888833 /nfs/dbraw/zinc/88/88/33/524888833.db2.gz HOMAWCZWSDXOJZ-DHIUTWEWSA-N 1 2 467.437 3.571 40 0 JHABLO Cc1cc(C)c2[nH]c(=O)c(CN(CC[NH+]3CCOCC3)C(=S)Nc3ccccc3)cc2c1 ZINC000000875502 553812440 /nfs/dbraw/zinc/81/24/40/553812440.db2.gz XCMTWDIRFKXSHV-UHFFFAOYSA-N 1 2 450.608 3.676 40 0 JHABLO CCOc1ccc2[nH]c(=O)c([C@H](c3nnnn3Cc3ccc(OC)cc3)[NH+]3CCCCC3)cc2c1 ZINC000006197023 554518886 /nfs/dbraw/zinc/51/88/86/554518886.db2.gz GULGQIOREWAWPQ-XMMPIXPASA-N 1 2 474.565 3.546 40 0 JHABLO CCOc1ccc2[nH]c(=O)c([C@H](c3nnnn3Cc3ccc(F)cc3)[NH+]3CCC(C)CC3)cc2c1 ZINC000006197005 554518905 /nfs/dbraw/zinc/51/89/05/554518905.db2.gz AHSDTAMQBQWWME-XMMPIXPASA-N 1 2 476.556 3.922 40 0 JHABLO COc1ccc(Cn2nnnc2[C@H](c2cc3cc(C)ccc3[nH]c2=O)[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000006408879 554534509 /nfs/dbraw/zinc/53/45/09/554534509.db2.gz ORLCXCSBCPQJMD-UUOWRZLLSA-N 1 2 458.566 3.701 40 0 JHABLO COc1ccc(Cn2nnnc2[C@H](c2cc3cc(C)ccc3[nH]c2=O)[N@H+]2CCC[C@H](C)C2)cc1 ZINC000006408879 554534513 /nfs/dbraw/zinc/53/45/13/554534513.db2.gz ORLCXCSBCPQJMD-UUOWRZLLSA-N 1 2 458.566 3.701 40 0 JHABLO CCOC(=O)Cn1nnnc1[C@H](CC)[N@H+](Cc1ccc(C)cc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013494809 555406395 /nfs/dbraw/zinc/40/63/95/555406395.db2.gz SKTYHPYNOLCWNK-DEOSSOPVSA-N 1 2 488.592 3.848 40 0 JHABLO CCOC(=O)Cn1nnnc1[C@H](CC)[N@@H+](Cc1ccc(C)cc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013494809 555406398 /nfs/dbraw/zinc/40/63/98/555406398.db2.gz SKTYHPYNOLCWNK-DEOSSOPVSA-N 1 2 488.592 3.848 40 0 JHABLO CC[C@H](c1nnnn1C(C)(C)CC)[N@@H+](Cc1cc2cc3c(cc2[nH]c1=O)OCO3)C[C@@H]1CCCO1 ZINC000013495543 555408196 /nfs/dbraw/zinc/40/81/96/555408196.db2.gz LHHPGJDXZWUQNR-AZUAARDMSA-N 1 2 482.585 3.521 40 0 JHABLO CC[C@H](c1nnnn1C(C)(C)CC)[N@H+](Cc1cc2cc3c(cc2[nH]c1=O)OCO3)C[C@@H]1CCCO1 ZINC000013495543 555408198 /nfs/dbraw/zinc/40/81/98/555408198.db2.gz LHHPGJDXZWUQNR-AZUAARDMSA-N 1 2 482.585 3.521 40 0 JHABLO CC[C@H](c1nnnn1CCc1ccccc1)[N@H+](CCCO)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013496019 555410436 /nfs/dbraw/zinc/41/04/36/555410436.db2.gz VVMGWYLXMCYJLZ-XMMPIXPASA-N 1 2 474.609 3.710 40 0 JHABLO CC[C@H](c1nnnn1CCc1ccccc1)[N@@H+](CCCO)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013496019 555410437 /nfs/dbraw/zinc/41/04/37/555410437.db2.gz VVMGWYLXMCYJLZ-XMMPIXPASA-N 1 2 474.609 3.710 40 0 JHABLO CCOC(=O)Cn1nnnc1[C@@H](C(C)C)[N@H+](Cc1ccco1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000013498916 555425985 /nfs/dbraw/zinc/42/59/85/555425985.db2.gz PCWBMSIJIZQSML-XMMPIXPASA-N 1 2 492.580 3.687 40 0 JHABLO CCOC(=O)Cn1nnnc1[C@@H](C(C)C)[N@@H+](Cc1ccco1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000013498916 555425986 /nfs/dbraw/zinc/42/59/86/555425986.db2.gz PCWBMSIJIZQSML-XMMPIXPASA-N 1 2 492.580 3.687 40 0 JHABLO CC(C)[C@@H](c1nnnn1C1CCCC1)[N@@H+](Cc1cc2cc3c(cc2[nH]c1=O)OCO3)C[C@@H]1CCCO1 ZINC000013500419 555440126 /nfs/dbraw/zinc/44/01/26/555440126.db2.gz VWOLFWAZZHIGSN-RDPSFJRHSA-N 1 2 494.596 3.737 40 0 JHABLO CC(C)[C@@H](c1nnnn1C1CCCC1)[N@H+](Cc1cc2cc3c(cc2[nH]c1=O)OCO3)C[C@@H]1CCCO1 ZINC000013500419 555440129 /nfs/dbraw/zinc/44/01/29/555440129.db2.gz VWOLFWAZZHIGSN-RDPSFJRHSA-N 1 2 494.596 3.737 40 0 JHABLO CCCC[C@H](c1nnnn1CCc1ccc(OC)c(OC)c1)[NH+]1CCN(c2ccccc2OC)CC1 ZINC000013505569 555466838 /nfs/dbraw/zinc/46/68/38/555466838.db2.gz BRICQEIZYHEWKR-HSZRJFAPSA-N 1 2 494.640 3.995 40 0 JHABLO O=C(c1cc2nc(-c3ccco3)cc(C(F)(F)F)n2n1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000019929826 555546929 /nfs/dbraw/zinc/54/69/29/555546929.db2.gz HCEPFDZJHZFLRC-UHFFFAOYSA-N 1 2 455.440 3.966 40 0 JHABLO O=C(CN(c1ccccc1F)S(=O)(=O)c1ccccc1)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000019933029 555550335 /nfs/dbraw/zinc/55/03/35/555550335.db2.gz YKPCFOZTGRBMNE-UHFFFAOYSA-N 1 2 464.522 3.523 40 0 JHABLO CCC[C@]1(C(=O)OCC)[NH2+][C@H](c2cccs2)[C@H]2C(=O)N(c3ccc(OCC)cc3)C(=O)[C@@H]21 ZINC000020150699 555667046 /nfs/dbraw/zinc/66/70/46/555667046.db2.gz IGDYNVPJCWRFIT-SMOZNVCYSA-N 1 2 456.564 3.699 40 0 JHABLO COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NCc3ccc(-n4cc[nH+]c4)cc3)cc2)cc1 ZINC000030859831 556381333 /nfs/dbraw/zinc/38/13/33/556381333.db2.gz CMLXJHUYMFWMGS-UHFFFAOYSA-N 1 2 476.558 3.636 40 0 JHABLO Cc1ccc2cc(CN(CC[NH+]3CCOCC3)C(=S)N[C@@H](C)c3ccccc3)c(=O)[nH]c2c1C ZINC000019823434 556393708 /nfs/dbraw/zinc/39/37/08/556393708.db2.gz XVNFJTNFGCLFTO-NRFANRHFSA-N 1 2 478.662 3.915 40 0 JHABLO COc1ccccc1C[NH+]1CCN([C@@H](c2nnnn2C2CCCC2)c2ccc(OC)c(OC)c2)CC1 ZINC000035290729 569679729 /nfs/dbraw/zinc/67/97/29/569679729.db2.gz BIKKCHFXXIKVBX-AREMUKBSSA-N 1 2 492.624 3.721 40 0 JHABLO Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC[NH+]2CCOCC2)c(C)n1-c1nccs1 ZINC000223172284 569901977 /nfs/dbraw/zinc/90/19/77/569901977.db2.gz HVGUCQPUNGIITK-VXKWHMMOSA-N 1 2 482.679 3.640 40 0 JHABLO Cc1cccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC[NH+]2CCOCC2)c1 ZINC000223175858 569902133 /nfs/dbraw/zinc/90/21/33/569902133.db2.gz KOEPLFGINUHSFY-JWQCQUIFSA-N 1 2 461.635 3.876 40 0 JHABLO Cc1ccc(NS(=O)(=O)c2cc(C(=O)NCc3cccc(C[NH+]4CCOCC4)c3)ccc2C)cc1 ZINC000224723125 569954754 /nfs/dbraw/zinc/95/47/54/569954754.db2.gz WKDJGWYKQAAOEK-UHFFFAOYSA-N 1 2 493.629 3.866 40 0 JHABLO COc1cc(NC(=S)N2CC[NH+](Cc3cc(OC)c(OC)c(OC)c3)CC2)c(OC)cc1Cl ZINC000225223781 569983686 /nfs/dbraw/zinc/98/36/86/569983686.db2.gz XYMAYPVKJNRYBP-UHFFFAOYSA-N 1 2 496.029 3.898 40 0 JHABLO COc1cc(C)c(C(=O)Nc2ccc(C)c(S(=O)(=O)N3CC[NH+](C)CC3)c2)cc1C(C)C ZINC000225668469 570013546 /nfs/dbraw/zinc/01/35/46/570013546.db2.gz JUTHVDLLCOXCAU-UHFFFAOYSA-N 1 2 459.612 3.624 40 0 JHABLO CCOC(=O)CSc1nc2ccc(NC(=O)c3ccccc3C(=O)N3CC[NH+](C)CC3)cc2s1 ZINC000408748935 570033401 /nfs/dbraw/zinc/03/34/01/570033401.db2.gz JGRYJEMJYLGWLS-UHFFFAOYSA-N 1 2 498.630 3.591 40 0 JHABLO O=C(C[C@@H]1CCN2C[C@@H]1/C=C\COc1ccccc1C[N@@H+](Cc1ccc(F)cc1)CC2=O)NC1CC1 ZINC000253397322 570096067 /nfs/dbraw/zinc/09/60/67/570096067.db2.gz FNWVNDSHDLOOHQ-MCTKTUQPSA-N 1 2 491.607 3.910 40 0 JHABLO O=C(C[C@@H]1CCN2C[C@@H]1/C=C\COc1ccccc1C[N@H+](Cc1ccc(F)cc1)CC2=O)NC1CC1 ZINC000253397322 570096069 /nfs/dbraw/zinc/09/60/69/570096069.db2.gz FNWVNDSHDLOOHQ-MCTKTUQPSA-N 1 2 491.607 3.910 40 0 JHABLO COc1ccc(Cn2nnnc2[C@@H](c2cc3ccc(OC)cc3[nH]c2=O)[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000253499995 570101183 /nfs/dbraw/zinc/10/11/83/570101183.db2.gz PYZGXJRJLBQFEV-BXKMTCNYSA-N 1 2 474.565 3.814 40 0 JHABLO COc1ccc(Cn2nnnc2[C@@H](c2cc3ccc(OC)cc3[nH]c2=O)[N@H+]2CCC[C@H](C)C2)cc1 ZINC000253499995 570101185 /nfs/dbraw/zinc/10/11/85/570101185.db2.gz PYZGXJRJLBQFEV-BXKMTCNYSA-N 1 2 474.565 3.814 40 0 JHABLO CCC[C@H](c1nnnn1C[C@@H]1CCCO1)[N@@H+](Cc1cc2cc(C)ccc2[nH]c1=O)C[C@H]1CCCO1 ZINC000253500511 570102164 /nfs/dbraw/zinc/10/21/64/570102164.db2.gz SMKSHAPFFYGIPR-AOHZBQACSA-N 1 2 480.613 3.937 40 0 JHABLO CCC[C@H](c1nnnn1C[C@@H]1CCCO1)[N@H+](Cc1cc2cc(C)ccc2[nH]c1=O)C[C@H]1CCCO1 ZINC000253500511 570102165 /nfs/dbraw/zinc/10/21/65/570102165.db2.gz SMKSHAPFFYGIPR-AOHZBQACSA-N 1 2 480.613 3.937 40 0 JHABLO COc1ccc2[nH]cc(/C=C(/NC(=O)c3ccccc3)C(=O)N3CCN(c4cccc[nH+]4)CC3)c2c1 ZINC000254769815 570106197 /nfs/dbraw/zinc/10/61/97/570106197.db2.gz DDWUHQUKKOAPSW-KOEQRZSOSA-N 1 2 481.556 3.691 40 0 JHABLO CNC(=O)c1cccc([C@H]2CN(C(=O)c3ccc(Cl)c(N4CCCCC4)c3)CC[N@@H+]2C)c1 ZINC000257200059 570107733 /nfs/dbraw/zinc/10/77/33/570107733.db2.gz ABWCGZRYALPOOV-HSZRJFAPSA-N 1 2 455.002 3.819 40 0 JHABLO CNC(=O)c1cccc([C@H]2CN(C(=O)c3ccc(Cl)c(N4CCCCC4)c3)CC[N@H+]2C)c1 ZINC000257200059 570107734 /nfs/dbraw/zinc/10/77/34/570107734.db2.gz ABWCGZRYALPOOV-HSZRJFAPSA-N 1 2 455.002 3.819 40 0 JHABLO O=C(c1cccc(OCC[NH+]2CCOCC2)c1)N1CCC[C@@H](Cc2cccc3n[nH]cc32)CC1 ZINC000257218523 570113788 /nfs/dbraw/zinc/11/37/88/570113788.db2.gz DDLBYUGXXPGDNX-OAQYLSRUSA-N 1 2 462.594 3.759 40 0 JHABLO CC(C)CN1C(=O)C2(C[C@@H]1Cc1ccccc1)CCN(C(=O)C[N@H+](C)Cc1ccccn1)CC2 ZINC000257223817 570115288 /nfs/dbraw/zinc/11/52/88/570115288.db2.gz DYZQLNUVGIRGGP-VWLOTQADSA-N 1 2 462.638 3.622 40 0 JHABLO CC(C)CN1C(=O)C2(C[C@@H]1Cc1ccccc1)CCN(C(=O)C[N@@H+](C)Cc1ccccn1)CC2 ZINC000257223817 570115289 /nfs/dbraw/zinc/11/52/89/570115289.db2.gz DYZQLNUVGIRGGP-VWLOTQADSA-N 1 2 462.638 3.622 40 0 JHABLO CCCn1c2ccc(NC(=O)CN3CC[N@H+](C)[C@@H](c4ccc(OC(C)C)cc4)C3)cc2oc1=O ZINC000257265252 570128074 /nfs/dbraw/zinc/12/80/74/570128074.db2.gz LXWVNASVZUQBJF-HSZRJFAPSA-N 1 2 466.582 3.719 40 0 JHABLO CCCn1c2ccc(NC(=O)CN3CC[N@@H+](C)[C@@H](c4ccc(OC(C)C)cc4)C3)cc2oc1=O ZINC000257265252 570128075 /nfs/dbraw/zinc/12/80/75/570128075.db2.gz LXWVNASVZUQBJF-HSZRJFAPSA-N 1 2 466.582 3.719 40 0 JHABLO COc1ccc(C[C@@H]2C[C@@H]3NC(=O)CCCC[C@H]3N2C(=O)c2ccccc2Cn2cc[nH+]c2)cc1 ZINC000257267419 570128648 /nfs/dbraw/zinc/12/86/48/570128648.db2.gz MHFTYLFHDLTOCO-ZSQFBXSQSA-N 1 2 472.589 3.825 40 0 JHABLO Cc1n[nH]c(C)c1Cc1ccc(C(=O)N(C)C[C@@]2(O)CCCN(c3cc[nH+]c4ccncc43)C2)cc1 ZINC000257291022 570135809 /nfs/dbraw/zinc/13/58/09/570135809.db2.gz QFGOGBHCCGNNBF-NDEPHWFRSA-N 1 2 484.604 3.664 40 0 JHABLO Cc1cc2ccccc2n1CCC(=O)N(C)C[C@]1(O)CCCN(c2cc[nH+]c3ccncc32)C1 ZINC000257310565 570141569 /nfs/dbraw/zinc/14/15/69/570141569.db2.gz UFQQKHWRNSFFPO-HHHXNRCGSA-N 1 2 457.578 3.773 40 0 JHABLO CCn1c(CCCC(=O)N(C)C[C@@]2(O)CCN(c3cc(C)[nH+]c4ccncc43)C2)nc2ccccc21 ZINC000257332970 570148480 /nfs/dbraw/zinc/14/84/80/570148480.db2.gz XZMOGDAXWOBHCT-NDEPHWFRSA-N 1 2 486.620 3.730 40 0 JHABLO CCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@@H]2c1cc(Cl)ccc1OC(C)=O ZINC000261361983 570167332 /nfs/dbraw/zinc/16/73/32/570167332.db2.gz BQISOHQRRUCPEP-NRFANRHFSA-O 1 2 471.946 3.741 40 0 JHABLO C[C@@H](CO)Nc1nc(NCc2cccc(Cl)c2)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000328969285 570179823 /nfs/dbraw/zinc/17/98/23/570179823.db2.gz DDISJISZPWEYAE-ZDUSSCGKSA-N 1 2 452.864 3.944 40 0 JHABLO COc1ccc(S(=O)(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1NC(=O)c1ccc(C)cc1 ZINC000408561490 570201145 /nfs/dbraw/zinc/20/11/45/570201145.db2.gz TVIVDORJZSMNCN-UHFFFAOYSA-N 1 2 479.602 3.762 40 0 JHABLO Cc1ccc2cc(C[N@H+](CCc3ccccc3)Cc3nnnn3Cc3ccco3)c(=O)[nH]c2c1 ZINC000001373163 194106866 /nfs/dbraw/zinc/10/68/66/194106866.db2.gz QWJRGBGYOKCCEO-UHFFFAOYSA-N 1 2 454.534 3.709 40 0 JHABLO Cc1ccc2cc(C[N@@H+](CCc3ccccc3)Cc3nnnn3Cc3ccco3)c(=O)[nH]c2c1 ZINC000001373163 194106869 /nfs/dbraw/zinc/10/68/69/194106869.db2.gz QWJRGBGYOKCCEO-UHFFFAOYSA-N 1 2 454.534 3.709 40 0 JHABLO COc1ccc(C(=O)NC2CC[NH+](CC(=O)Nc3cccc(Cl)c3Cl)CC2)cc1OC ZINC000012644516 195073467 /nfs/dbraw/zinc/07/34/67/195073467.db2.gz NDBRQKGRCSLTIQ-UHFFFAOYSA-N 1 2 466.365 3.844 40 0 JHABLO COCCn1nnnc1[C@@H](c1cc2c(C)ccc(C)c2[nH]c1=O)[N@H+]1CC=C(c2ccc(F)cc2)CC1 ZINC000057608576 195353261 /nfs/dbraw/zinc/35/32/61/195353261.db2.gz UGKYKPAZUPUPQW-RUZDIDTESA-N 1 2 488.567 3.796 40 0 JHABLO COCCn1nnnc1[C@@H](c1cc2c(C)ccc(C)c2[nH]c1=O)[N@@H+]1CC=C(c2ccc(F)cc2)CC1 ZINC000057608576 195353264 /nfs/dbraw/zinc/35/32/64/195353264.db2.gz UGKYKPAZUPUPQW-RUZDIDTESA-N 1 2 488.567 3.796 40 0 JHABLO CC[C@@H](c1nnnn1CCOC)[N@H+](Cc1ccc(OC)cc1)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000057642419 195356426 /nfs/dbraw/zinc/35/64/26/195356426.db2.gz YXZSPRRMPJPCQK-DEOSSOPVSA-N 1 2 490.608 3.940 40 0 JHABLO CC[C@@H](c1nnnn1CCOC)[N@@H+](Cc1ccc(OC)cc1)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000057642419 195356427 /nfs/dbraw/zinc/35/64/27/195356427.db2.gz YXZSPRRMPJPCQK-DEOSSOPVSA-N 1 2 490.608 3.940 40 0 JHABLO CCC[C@]1(C(=O)OCC)[NH2+][C@@H](c2cccs2)[C@H]2C(=O)N(c3cccc(C(C)=O)c3)C(=O)[C@@H]21 ZINC000012498134 521306088 /nfs/dbraw/zinc/30/60/88/521306088.db2.gz KEUXWOYRIDJUSH-VKDGWMQASA-N 1 2 454.548 3.503 40 0 JHABLO CCn1cc(C[NH+]2CCN(C(=O)c3cc(-c4ccc(Cl)cc4)nc4c3c(C)nn4C)CC2)cn1 ZINC000022714176 523373264 /nfs/dbraw/zinc/37/32/64/523373264.db2.gz JJUXMBWNJPJJQI-UHFFFAOYSA-N 1 2 478.000 3.772 40 0 JHABLO COc1ccccc1C[NH+]1CCN([C@H](c2nnnn2Cc2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000022929289 524451353 /nfs/dbraw/zinc/45/13/53/524451353.db2.gz QEJJYAJLPMDIFD-SANMLTNESA-N 1 2 490.558 3.915 40 0 JHABLO COc1ccccc1N(CC(=O)NCc1ccccc1-n1cc[nH+]c1)S(=O)(=O)c1ccc(C)cc1 ZINC000020459238 524528934 /nfs/dbraw/zinc/52/89/34/524528934.db2.gz FLUGTUYZRFZGIM-UHFFFAOYSA-N 1 2 490.585 3.701 40 0 JHABLO CCC(C)(C)n1nnnc1C[N@H+](CCc1ccccc1)Cc1cc2ccc(OC)cc2[nH]c1=O ZINC000000927519 553864481 /nfs/dbraw/zinc/86/44/81/553864481.db2.gz UENFCVIHUWKQBK-UHFFFAOYSA-N 1 2 460.582 3.913 40 0 JHABLO CCC(C)(C)n1nnnc1C[N@@H+](CCc1ccccc1)Cc1cc2ccc(OC)cc2[nH]c1=O ZINC000000927519 553864484 /nfs/dbraw/zinc/86/44/84/553864484.db2.gz UENFCVIHUWKQBK-UHFFFAOYSA-N 1 2 460.582 3.913 40 0 JHABLO Cc1ccc(NC(=S)N(CC[NH+]2CCOCC2)Cc2cc3ccc(C)c(C)c3[nH]c2=O)cc1 ZINC000000931892 553870363 /nfs/dbraw/zinc/87/03/63/553870363.db2.gz HVRQBLRREOZRLG-UHFFFAOYSA-N 1 2 464.635 3.985 40 0 JHABLO COc1ccccc1N1CCN(C(=O)CSc2[nH+]cnc3c2cnn3-c2ccc(C)c(C)c2)CC1 ZINC000001346417 553955512 /nfs/dbraw/zinc/95/55/12/553955512.db2.gz NMJMNMHISVQWRS-UHFFFAOYSA-N 1 2 488.617 3.882 40 0 JHABLO COc1ccc2[nH]c(=O)c([C@@H](c3nnnn3Cc3ccc(F)cc3)[N@@H+]3CCC[C@@H](C)C3)cc2c1 ZINC000006283152 554526387 /nfs/dbraw/zinc/52/63/87/554526387.db2.gz YGCNNMGUUPFIAT-MWTRTKDXSA-N 1 2 462.529 3.532 40 0 JHABLO COc1ccc2[nH]c(=O)c([C@@H](c3nnnn3Cc3ccc(F)cc3)[N@H+]3CCC[C@@H](C)C3)cc2c1 ZINC000006283152 554526390 /nfs/dbraw/zinc/52/63/90/554526390.db2.gz YGCNNMGUUPFIAT-MWTRTKDXSA-N 1 2 462.529 3.532 40 0 JHABLO CCc1ccc(NC(=S)N(CC[NH+]2CCOCC2)Cc2cc3cc(C)ccc3[nH]c2=O)cc1 ZINC000013465205 555401613 /nfs/dbraw/zinc/40/16/13/555401613.db2.gz IXMZIFFMAYQTSA-UHFFFAOYSA-N 1 2 464.635 3.930 40 0 JHABLO Cc1ccc2[nH]c(=O)c(C[N@@H+](CCCO)[C@@H](c3nnnn3Cc3ccc(F)cc3)C(C)C)cc2c1 ZINC000013500550 555441382 /nfs/dbraw/zinc/44/13/82/555441382.db2.gz NUIZJCNVNQTWOD-XMMPIXPASA-N 1 2 478.572 3.592 40 0 JHABLO Cc1ccc2[nH]c(=O)c(C[N@H+](CCCO)[C@@H](c3nnnn3Cc3ccc(F)cc3)C(C)C)cc2c1 ZINC000013500550 555441385 /nfs/dbraw/zinc/44/13/85/555441385.db2.gz NUIZJCNVNQTWOD-XMMPIXPASA-N 1 2 478.572 3.592 40 0 JHABLO Cc1ccc2[nH]c(=O)c(C[N@@H+](CCCO)[C@H](c3nnnn3C3CCCCC3)C(C)C)cc2c1 ZINC000013500547 555441446 /nfs/dbraw/zinc/44/14/46/555441446.db2.gz PVUZJKLNRRZPLP-QHCPKHFHSA-N 1 2 452.603 3.910 40 0 JHABLO Cc1ccc2[nH]c(=O)c(C[N@H+](CCCO)[C@H](c3nnnn3C3CCCCC3)C(C)C)cc2c1 ZINC000013500547 555441448 /nfs/dbraw/zinc/44/14/48/555441448.db2.gz PVUZJKLNRRZPLP-QHCPKHFHSA-N 1 2 452.603 3.910 40 0 JHABLO CCCC[C@@H](c1nnnn1C[C@@H]1CCCO1)[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000013504335 555463329 /nfs/dbraw/zinc/46/33/29/555463329.db2.gz OVAXHLSCAMWCRY-PMACEKPBSA-N 1 2 452.525 3.924 40 0 JHABLO COc1ccc(CCn2nnnc2[C@H](c2ccccc2)[NH+]2CCN(c3ccccc3)CC2)cc1OC ZINC000013505593 555467242 /nfs/dbraw/zinc/46/72/42/555467242.db2.gz ISNCMJNIRBENPC-MHZLTWQESA-N 1 2 484.604 3.845 40 0 JHABLO COc1ccc(CCn2nnnc2[C@H](CC(C)C)[NH+]2CCN(c3ccc(F)cc3)CC2)cc1OC ZINC000013505580 555467319 /nfs/dbraw/zinc/46/73/19/555467319.db2.gz BGLCOYHGOZCESO-QHCPKHFHSA-N 1 2 482.604 3.982 40 0 JHABLO COc1ccc(CCn2nnnc2[C@@H](CC(C)C)[NH+]2CCN(c3ccccc3F)CC2)cc1OC ZINC000013505577 555467342 /nfs/dbraw/zinc/46/73/42/555467342.db2.gz UAKNARUJVGYTJZ-HSZRJFAPSA-N 1 2 482.604 3.982 40 0 JHABLO O=C(Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000019929659 555546879 /nfs/dbraw/zinc/54/68/79/555546879.db2.gz UAPNQKKMBMOAPN-UHFFFAOYSA-N 1 2 451.548 3.572 40 0 JHABLO O=C([C@H]1CCCN(S(=O)(=O)CCCc2ccccc2)C1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000019934283 555551592 /nfs/dbraw/zinc/55/15/92/555551592.db2.gz YFVBPKZVMQFYOK-QSVQOIOGSA-N 1 2 495.689 3.519 40 0 JHABLO CC[C@@H](C(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1)N(c1ccc(C)c(C)c1)S(C)(=O)=O ZINC000013716801 555594436 /nfs/dbraw/zinc/59/44/36/555594436.db2.gz NHOWOKCVFVOZJL-OPATVPMHSA-N 1 2 469.651 3.706 40 0 JHABLO Cc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000020112030 555649244 /nfs/dbraw/zinc/64/92/44/555649244.db2.gz ITIGQQHFEHIEIW-UHFFFAOYSA-N 1 2 452.580 3.531 40 0 JHABLO CCOc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](c2ccccc2C)[NH2+][C@@]3(CCSC)C(=O)OC)cc1 ZINC000020150719 555667016 /nfs/dbraw/zinc/66/70/16/555667016.db2.gz IBZBIEOVNWOVDH-OYSWMMLKSA-N 1 2 482.602 3.509 40 0 JHABLO CCC[C@]1(C(=O)OCC)[NH2+][C@@H](c2cccs2)[C@H]2C(=O)N(c3cccc(C(C)=O)c3)C(=O)[C@H]21 ZINC000020150787 555667472 /nfs/dbraw/zinc/66/74/72/555667472.db2.gz KEUXWOYRIDJUSH-XHOYROJHSA-N 1 2 454.548 3.503 40 0 JHABLO Cc1ccc([C@@H](c2nnnn2Cc2ccccc2)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)cc1 ZINC000022929106 555981183 /nfs/dbraw/zinc/98/11/83/555981183.db2.gz RWMAPPQDBIIGMO-MHZLTWQESA-N 1 2 482.588 3.666 40 0 JHABLO COc1cc([C@@H]2C(C(N)=O)=C(C)[NH+]=C3N=CNN32)ccc1OCc1ccc(Cl)cc1Cl ZINC000027563735 556297430 /nfs/dbraw/zinc/29/74/30/556297430.db2.gz IZEJQTBHPHUJEG-LJQANCHMSA-N 1 2 460.321 3.600 40 0 JHABLO Cc1ccc2cc([C@H](c3nnnn3C3CCCCC3)N3CC[NH+](Cc4ccco4)CC3)c(=O)[nH]c2c1 ZINC000019221978 556335572 /nfs/dbraw/zinc/33/55/72/556335572.db2.gz TZUKTQFUQAGDIJ-RUZDIDTESA-N 1 2 487.608 3.828 40 0 JHABLO CCc1ccc2[nH]c(=O)c([C@H](c3nnnn3C[C@@H]3CCCO3)[N@H+](CC)Cc3ccccc3)cc2c1 ZINC000019522972 556351168 /nfs/dbraw/zinc/35/11/68/556351168.db2.gz GATRJMKVHUYZRO-WIOPSUGQSA-N 1 2 472.593 3.868 40 0 JHABLO CCc1ccc2[nH]c(=O)c([C@H](c3nnnn3C[C@@H]3CCCO3)[N@@H+](CC)Cc3ccccc3)cc2c1 ZINC000019522972 556351171 /nfs/dbraw/zinc/35/11/71/556351171.db2.gz GATRJMKVHUYZRO-WIOPSUGQSA-N 1 2 472.593 3.868 40 0 JHABLO CCOC(=O)[C@@]1(Cc2ccccc2)[NH2+][C@@H](c2cccs2)[C@H]2C(=O)N(c3ccccc3F)C(=O)[C@H]21 ZINC000019529821 556352658 /nfs/dbraw/zinc/35/26/58/556352658.db2.gz CYEDKSCPCAGLAV-YGWSKSRPSA-N 1 2 478.545 3.882 40 0 JHABLO COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NCc3ccccc3-n3cc[nH+]c3)cc2)cc1 ZINC000030753432 556372279 /nfs/dbraw/zinc/37/22/79/556372279.db2.gz ZGSVEAXXJZQDSC-UHFFFAOYSA-N 1 2 476.558 3.636 40 0 JHABLO COCCOc1ccnc(-c2noc([C@@H]3CCC[N@@H+]3Cc3cc(OC)c(OC)c(OC)c3)n2)c1 ZINC000035425116 560080875 /nfs/dbraw/zinc/08/08/75/560080875.db2.gz SPUJAPJHHWROEU-IBGZPJMESA-N 1 2 470.526 3.520 40 0 biogenic,in-vitro JHABLO COCCOc1ccnc(-c2noc([C@@H]3CCC[N@H+]3Cc3cc(OC)c(OC)c(OC)c3)n2)c1 ZINC000035425116 560080877 /nfs/dbraw/zinc/08/08/77/560080877.db2.gz SPUJAPJHHWROEU-IBGZPJMESA-N 1 2 470.526 3.520 40 0 biogenic,in-vitro JHABLO COc1ccc(Cn2nnnc2C[N@H+](Cc2cc3ccc(C)cc3[nH]c2=O)C2CCCC2)cc1 ZINC000008582604 562939825 /nfs/dbraw/zinc/93/98/25/562939825.db2.gz CLESYUIRTDJQBD-UHFFFAOYSA-N 1 2 458.566 3.825 40 0 JHABLO COc1ccc(Cn2nnnc2C[N@@H+](Cc2cc3ccc(C)cc3[nH]c2=O)C2CCCC2)cc1 ZINC000008582604 562939826 /nfs/dbraw/zinc/93/98/26/562939826.db2.gz CLESYUIRTDJQBD-UHFFFAOYSA-N 1 2 458.566 3.825 40 0 JHABLO CCC[C@H](c1nnnn1C[C@H]1CCCO1)[N@@H+](Cc1cc2cc(C)ccc2[nH]c1=O)C[C@@H]1CCCO1 ZINC000033937359 569639093 /nfs/dbraw/zinc/63/90/93/569639093.db2.gz SMKSHAPFFYGIPR-WMTXJRDZSA-N 1 2 480.613 3.524 40 0 JHABLO CCC[C@H](c1nnnn1C[C@H]1CCCO1)[N@H+](Cc1cc2cc(C)ccc2[nH]c1=O)C[C@@H]1CCCO1 ZINC000033937359 569639094 /nfs/dbraw/zinc/63/90/94/569639094.db2.gz SMKSHAPFFYGIPR-WMTXJRDZSA-N 1 2 480.613 3.524 40 0 JHABLO C[NH+]1CCN(C(=O)c2nn3c(c2Br)N[C@H](c2ccccc2)C[C@@H]3C(F)(F)F)CC1 ZINC000038177089 569799907 /nfs/dbraw/zinc/79/99/07/569799907.db2.gz WATDLIQOTMANPR-UONOGXRCSA-N 1 2 472.309 3.694 40 0 JHABLO Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CC[NH+]2CCOCC2)c(C)n1Cc1ccccc1 ZINC000223137943 569900773 /nfs/dbraw/zinc/90/07/73/569900773.db2.gz DSCOUVSSNTYBOR-IZZNHLLZSA-N 1 2 475.662 3.853 40 0 JHABLO Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC[NH+]2CCOCC2)c(C)n1-c1nccs1 ZINC000223172235 569901964 /nfs/dbraw/zinc/90/19/64/569901964.db2.gz HVGUCQPUNGIITK-FCHUYYIVSA-N 1 2 482.679 3.640 40 0 JHABLO Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC[NH+]2CCOCC2)c(C)n1Cc1ccco1 ZINC000223174517 569902045 /nfs/dbraw/zinc/90/20/45/569902045.db2.gz LATKPBXBVIRAGH-JWQCQUIFSA-N 1 2 479.650 3.836 40 0 JHABLO Fc1cccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC[NH+]2CCOCC2)c1 ZINC000223194732 569902894 /nfs/dbraw/zinc/90/28/94/569902894.db2.gz DTLLLJMWYIRVQU-DNQXCXABSA-N 1 2 465.598 3.706 40 0 JHABLO Cc1cc(C)c([C@H](C)NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CC[NH+](C)CC3)c2)cc1C ZINC000223478026 569912671 /nfs/dbraw/zinc/91/26/71/569912671.db2.gz RLZFPKOHWOZBTP-SFHVURJKSA-N 1 2 464.031 3.692 40 0 JHABLO COc1ccc(OCc2cc(C(=O)N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)ccc2OC)cc1 ZINC000224270156 569938704 /nfs/dbraw/zinc/93/87/04/569938704.db2.gz HJAUZAJZHCEXCE-UHFFFAOYSA-N 1 2 490.556 3.970 40 0 JHABLO Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCc3ccc(C[NH+]4CCOCC4)cc3)cc2)cc1 ZINC000224557157 569948323 /nfs/dbraw/zinc/94/83/23/569948323.db2.gz KLVDTNMEPRJNIJ-UHFFFAOYSA-N 1 2 479.602 3.558 40 0 JHABLO Cc1ccc(C(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)cc1S(=O)(=O)Nc1ccccc1 ZINC000224557288 569948355 /nfs/dbraw/zinc/94/83/55/569948355.db2.gz NUGIKNCHGORQCP-UHFFFAOYSA-N 1 2 479.602 3.558 40 0 JHABLO Cc1ccccc1C(=O)N/C(=C\c1cccs1)C(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000224816571 569958926 /nfs/dbraw/zinc/95/89/26/569958926.db2.gz NBJZSSJOGHGLSA-UQQQWYQISA-N 1 2 475.614 3.976 40 0 JHABLO O=C(CN(c1ccc(Cl)cc1Cl)S(=O)(=O)c1ccccc1)NCCCn1cc[nH+]c1 ZINC000408605588 569970824 /nfs/dbraw/zinc/97/08/24/569970824.db2.gz JONXXMUKGURJNG-UHFFFAOYSA-N 1 2 467.378 3.592 40 0 JHABLO CCOc1cc([C@@H]2C(C(=O)Nc3cc(OC)c(Cl)cc3OC)=C(C)[NH+]=C3N=CNN32)ccc1O ZINC000408617541 569976319 /nfs/dbraw/zinc/97/63/19/569976319.db2.gz COPGHSVEEYBQQE-OAQYLSRUSA-N 1 2 485.928 3.633 40 0 JHABLO COc1ccc(NC(=O)C2=C(C)[NH+]=C3N=CNN3[C@@H]2c2cc(Br)ccc2OC)cc1 ZINC000408703806 570023507 /nfs/dbraw/zinc/02/35/07/570023507.db2.gz HJVVCXBNGCKMEH-LJQANCHMSA-N 1 2 470.327 3.638 40 0 JHABLO COc1ccc(C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)cc1S(=O)(=O)N1CCCCCC1 ZINC000408713739 570025603 /nfs/dbraw/zinc/02/56/03/570025603.db2.gz REFFTLPDCDMAJT-FMIVXFBMSA-N 1 2 497.661 3.731 40 0 JHABLO CC(=O)N1CCN(CC(=O)Nc2ccc3[nH]c(C)[nH+]c3c2)C[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000257199621 570107559 /nfs/dbraw/zinc/10/75/59/570107559.db2.gz AADOPAKCCAGHLE-NRFANRHFSA-N 1 2 459.472 3.734 40 0 JHABLO CC(=O)Nc1ccc2nc(NC(=O)C[N@@H+]3CC[C@H]4[C@@H]3CCCC(=O)N4Cc3ccccc3)sc2c1 ZINC000257209577 570110831 /nfs/dbraw/zinc/11/08/31/570110831.db2.gz BQXPTURCNWXLIX-VXKWHMMOSA-N 1 2 491.617 3.849 40 0 JHABLO CC(=O)Nc1ccc2nc(NC(=O)C[N@H+]3CC[C@H]4[C@@H]3CCCC(=O)N4Cc3ccccc3)sc2c1 ZINC000257209577 570110832 /nfs/dbraw/zinc/11/08/32/570110832.db2.gz BQXPTURCNWXLIX-VXKWHMMOSA-N 1 2 491.617 3.849 40 0 JHABLO O=C(c1cccc(OCC[NH+]2CCOCC2)c1)N1CCC[C@H](Cc2ccc3n[nH]cc3c2)CC1 ZINC000257211499 570111463 /nfs/dbraw/zinc/11/14/63/570111463.db2.gz BZBQFRXKYZHOMU-NRFANRHFSA-N 1 2 462.594 3.759 40 0 JHABLO O=C(c1ccccc1OCC[NH+]1CCOCC1)N1C[C@@H]2[C@@H](Cc3ccc(F)cc3)CC[C@@H]2C1 ZINC000257214089 570112348 /nfs/dbraw/zinc/11/23/48/570112348.db2.gz CKMJBAVTFYTJAF-TZBSWOFLSA-N 1 2 452.570 3.878 40 0 JHABLO CC(=O)N1[C@@H]2CCC[C@@H]3N(C(=O)C[N@@H+](C)Cc4cccnc4)[C@@H](C[C@@]32C)[C@@H]1Cc1ccccc1 ZINC000257227895 570116446 /nfs/dbraw/zinc/11/64/46/570116446.db2.gz FRKSLOVXELIJDK-NLMMERCGSA-N 1 2 460.622 3.515 40 0 JHABLO CC(=O)N1[C@@H]2CCC[C@@H]3N(C(=O)C[N@H+](C)Cc4cccnc4)[C@@H](C[C@@]32C)[C@@H]1Cc1ccccc1 ZINC000257227895 570116447 /nfs/dbraw/zinc/11/64/47/570116447.db2.gz FRKSLOVXELIJDK-NLMMERCGSA-N 1 2 460.622 3.515 40 0 JHABLO Cc1[nH]c2ccc(CCC(=O)N3CCC4(CO[C@@H]([C@@]5(C)CC[C@H](O)C(C)(C)O5)C4)CC3)cc2[nH+]1 ZINC000257259450 570126176 /nfs/dbraw/zinc/12/61/76/570126176.db2.gz KYKXRCRZSAFSNN-PPJWLVRDSA-N 1 2 469.626 3.910 40 0 JHABLO Cc1[nH]c2cc(CCC(=O)N3CCC4(CO[C@@H]([C@@]5(C)CC[C@H](O)C(C)(C)O5)C4)CC3)ccc2[nH+]1 ZINC000257259450 570126177 /nfs/dbraw/zinc/12/61/77/570126177.db2.gz KYKXRCRZSAFSNN-PPJWLVRDSA-N 1 2 469.626 3.910 40 0 JHABLO COc1ccc(-c2nccc([C@H]3CCCN3C(=O)c3ccccc3C[NH+]3CCOCC3)n2)cc1 ZINC000257265611 570128115 /nfs/dbraw/zinc/12/81/15/570128115.db2.gz LZKZKVAOBBARJO-RUZDIDTESA-N 1 2 458.562 3.962 40 0 JHABLO Cc1cc(N2CC[C@](O)(CN(C)C(=O)c3ccc4[nH]c(C(F)(F)F)nc4c3)C2)c2cnccc2[nH+]1 ZINC000257285693 570134331 /nfs/dbraw/zinc/13/43/31/570134331.db2.gz PIIIHVAFLCAHTO-QHCPKHFHSA-N 1 2 484.482 3.547 40 0 JHABLO O=C(c1ccccc1C[NH+]1CCOCC1)N1CCC[C@]2(CN(c3ccc(F)cc3)C(=O)O2)CC1 ZINC000257287769 570135028 /nfs/dbraw/zinc/13/50/28/570135028.db2.gz PRKNQUJDALMGKH-AREMUKBSSA-N 1 2 467.541 3.680 40 0 JHABLO O=C(c1ccccc1OCC[NH+]1CCOCC1)N1CCC[C@H]1c1ccnc(-c2ccccc2)n1 ZINC000257330421 570147642 /nfs/dbraw/zinc/14/76/42/570147642.db2.gz XOHZUZMOKAVYNX-DEOSSOPVSA-N 1 2 458.562 3.832 40 0 JHABLO CCC(=O)N1c2ccccc2-c2c(=O)[nH]c(SC)n[n+]2[C@@H]1c1ccc(Br)cc1 ZINC000261364541 570168530 /nfs/dbraw/zinc/16/85/30/570168530.db2.gz LZWCERLXEBFZHN-LJQANCHMSA-O 1 2 458.361 3.925 40 0 JHABLO CCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@@H]2c1ccc(OC)c(Br)c1 ZINC000261364775 570168756 /nfs/dbraw/zinc/16/87/56/570168756.db2.gz NPYBPTONJZLIKS-FQEVSTJZSA-O 1 2 488.387 3.933 40 0 JHABLO CCCn1c2ccccc2[nH+]c1N1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 ZINC000001370970 194105011 /nfs/dbraw/zinc/10/50/11/194105011.db2.gz SHGHOMNXTLPKRO-UHFFFAOYSA-N 1 2 452.502 3.976 40 0 JHABLO Cc1cc(C)c2cc(CN(CC[NH+]3CCOCC3)C(=O)Nc3ccccc3F)c(=O)[nH]c2c1 ZINC000001371272 194105374 /nfs/dbraw/zinc/10/53/74/194105374.db2.gz KXZBMYQNMNFHPG-UHFFFAOYSA-N 1 2 452.530 3.650 40 0 JHABLO CCc1nn2c(nnc(C(=O)N3CC[NH+](Cc4ccccc4)CC3)c2C)c1-c1ccc(OC)cc1 ZINC000020797574 195226108 /nfs/dbraw/zinc/22/61/08/195226108.db2.gz HLRYQQXSPBHXRM-UHFFFAOYSA-N 1 2 470.577 3.629 40 0 JHABLO CC[C@@H](c1nnnn1C(C)(C)CC)[N@@H+](Cc1cc2cc(OC)c(OC)cc2[nH]c1=O)C[C@@H]1CCCO1 ZINC000057641375 195355529 /nfs/dbraw/zinc/35/55/29/195355529.db2.gz SLARAIJMBJTURQ-FPOVZHCZSA-N 1 2 498.628 3.809 40 0 JHABLO CC[C@@H](c1nnnn1C(C)(C)CC)[N@H+](Cc1cc2cc(OC)c(OC)cc2[nH]c1=O)C[C@@H]1CCCO1 ZINC000057641375 195355530 /nfs/dbraw/zinc/35/55/30/195355530.db2.gz SLARAIJMBJTURQ-FPOVZHCZSA-N 1 2 498.628 3.809 40 0 JHABLO CCOC(=O)[C@@]1(CCSC)[NH2+][C@@H](c2cccs2)[C@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@@H]21 ZINC000012497435 521181975 /nfs/dbraw/zinc/18/19/75/521181975.db2.gz JIXWTDPBVVIZQY-YWNPBTLJSA-N 1 2 458.605 3.562 40 0 JHABLO C[N@@H+]1C[C@@H](NC(=O)NCc2ccccc2)C[C@H]1c1nc(-c2ccc(OC(F)(F)F)cc2)no1 ZINC000020464108 524010945 /nfs/dbraw/zinc/01/09/45/524010945.db2.gz MKRLIJLJDOKLCX-WMZOPIPTSA-N 1 2 461.444 3.880 40 0 biogenic,in-vitro JHABLO C[N@H+]1C[C@@H](NC(=O)NCc2ccccc2)C[C@H]1c1nc(-c2ccc(OC(F)(F)F)cc2)no1 ZINC000020464108 524010950 /nfs/dbraw/zinc/01/09/50/524010950.db2.gz MKRLIJLJDOKLCX-WMZOPIPTSA-N 1 2 461.444 3.880 40 0 biogenic,in-vitro JHABLO CCc1ccc2[nH]c(=O)c([C@@H](c3nnnn3CCOC)[NH+]3CCC(Cc4ccccc4)CC3)cc2c1 ZINC000006198004 524058288 /nfs/dbraw/zinc/05/82/88/524058288.db2.gz VUIBDNAYZAQNDM-SANMLTNESA-N 1 2 486.620 3.768 40 0 JHABLO O=C(c1ccc(F)cc1)N1C[C@H]2C[C@@H](C1)Cn1c(=O)c(-c3ccccc3C[NH+]3CCOCC3)ccc12 ZINC000020503609 526691522 /nfs/dbraw/zinc/69/15/22/526691522.db2.gz LZBBPJZFGJUKMN-NZQKXSOJSA-N 1 2 487.575 3.746 40 0 biogenic,in-vitro JHABLO CCCCNc1ncc(C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)c(N[C@H]2CC[C@H](O)CC2)n1 ZINC000103239230 535296211 /nfs/dbraw/zinc/29/62/11/535296211.db2.gz NPVXOWLPOFYACO-TYKWCNGQSA-N 1 2 463.586 3.520 40 0 JHABLO COc1ccc2[nH]c(=O)c(CN(CC[NH+]3CCOCC3)C(=S)Nc3ccc(C)cc3C)cc2c1 ZINC000000885010 553823704 /nfs/dbraw/zinc/82/37/04/553823704.db2.gz YAJNRTWJCKBETD-UHFFFAOYSA-N 1 2 480.634 3.685 40 0 JHABLO CC[C@H](c1nnnn1C(C)(C)C)[N@H+](CCCN1CCOCC1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013494614 555405413 /nfs/dbraw/zinc/40/54/13/555405413.db2.gz VPVSRLHOUOCOMF-HSZRJFAPSA-N 1 2 495.672 3.562 40 0 JHABLO CC[C@H](c1nnnn1C(C)(C)C)[N@@H+](CCCN1CCOCC1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013494614 555405416 /nfs/dbraw/zinc/40/54/16/555405416.db2.gz VPVSRLHOUOCOMF-HSZRJFAPSA-N 1 2 495.672 3.562 40 0 JHABLO COCCn1nnnc1[C@H](C(C)C)[N@H+](Cc1ccc(OC)cc1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000013498594 555422470 /nfs/dbraw/zinc/42/24/70/555422470.db2.gz FYWLFFOYMZBOEW-VWLOTQADSA-N 1 2 490.608 3.878 40 0 JHABLO COCCn1nnnc1[C@H](C(C)C)[N@@H+](Cc1ccc(OC)cc1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000013498594 555422474 /nfs/dbraw/zinc/42/24/74/555422474.db2.gz FYWLFFOYMZBOEW-VWLOTQADSA-N 1 2 490.608 3.878 40 0 JHABLO Cc1cc(C)c2cc(C[N@@H+](CCO)[C@@H](c3nnnn3C3CCCCC3)C(C)C)c(=O)[nH]c2c1 ZINC000013499076 555427900 /nfs/dbraw/zinc/42/79/00/555427900.db2.gz UBBJISUHERUFOZ-HSZRJFAPSA-N 1 2 452.603 3.828 40 0 JHABLO Cc1cc(C)c2cc(C[N@H+](CCO)[C@@H](c3nnnn3C3CCCCC3)C(C)C)c(=O)[nH]c2c1 ZINC000013499076 555427904 /nfs/dbraw/zinc/42/79/04/555427904.db2.gz UBBJISUHERUFOZ-HSZRJFAPSA-N 1 2 452.603 3.828 40 0 JHABLO CCOC(=O)Cn1nnnc1[C@H](C(C)C)[N@H+](Cc1ccco1)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000013499191 555429317 /nfs/dbraw/zinc/42/93/17/555429317.db2.gz DKOVTLZEHQNHPR-DEOSSOPVSA-N 1 2 492.580 3.687 40 0 JHABLO CCOC(=O)Cn1nnnc1[C@H](C(C)C)[N@@H+](Cc1ccco1)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000013499191 555429319 /nfs/dbraw/zinc/42/93/19/555429319.db2.gz DKOVTLZEHQNHPR-DEOSSOPVSA-N 1 2 492.580 3.687 40 0 JHABLO Cc1cc(C)c2[nH]c(=O)c(C[N@@H+](CCO)[C@@H](c3nnnn3CCc3ccccc3)C(C)C)cc2c1 ZINC000013500526 555441104 /nfs/dbraw/zinc/44/11/04/555441104.db2.gz MBIJLUPWBUKBGZ-RUZDIDTESA-N 1 2 474.609 3.566 40 0 JHABLO Cc1cc(C)c2[nH]c(=O)c(C[N@H+](CCO)[C@@H](c3nnnn3CCc3ccccc3)C(C)C)cc2c1 ZINC000013500526 555441107 /nfs/dbraw/zinc/44/11/07/555441107.db2.gz MBIJLUPWBUKBGZ-RUZDIDTESA-N 1 2 474.609 3.566 40 0 JHABLO Cc1ccc2[nH]c(=O)c(C[N@@H+](CCCO)[C@H](c3nnnn3Cc3ccc(F)cc3)C(C)C)cc2c1 ZINC000013500551 555441461 /nfs/dbraw/zinc/44/14/61/555441461.db2.gz NUIZJCNVNQTWOD-DEOSSOPVSA-N 1 2 478.572 3.592 40 0 JHABLO Cc1ccc2[nH]c(=O)c(C[N@H+](CCCO)[C@H](c3nnnn3Cc3ccc(F)cc3)C(C)C)cc2c1 ZINC000013500551 555441462 /nfs/dbraw/zinc/44/14/62/555441462.db2.gz NUIZJCNVNQTWOD-DEOSSOPVSA-N 1 2 478.572 3.592 40 0 JHABLO CCC[C@@H](c1nnnn1C[C@@H]1CCCO1)[N@@H+](Cc1cc2cc(C)ccc2[nH]c1=O)C[C@@H]1CCCO1 ZINC000013500883 555444944 /nfs/dbraw/zinc/44/49/44/555444944.db2.gz SMKSHAPFFYGIPR-FIXSFTCYSA-N 1 2 480.613 3.524 40 0 JHABLO CCC[C@@H](c1nnnn1C[C@@H]1CCCO1)[N@H+](Cc1cc2cc(C)ccc2[nH]c1=O)C[C@@H]1CCCO1 ZINC000013500883 555444946 /nfs/dbraw/zinc/44/49/46/555444946.db2.gz SMKSHAPFFYGIPR-FIXSFTCYSA-N 1 2 480.613 3.524 40 0 JHABLO CCC[C@H](c1nnnn1CCc1ccccc1)[N@H+](CCCO)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013501018 555446413 /nfs/dbraw/zinc/44/64/13/555446413.db2.gz IOCVRQKLEHQGRD-XMMPIXPASA-N 1 2 474.609 3.792 40 0 JHABLO CCC[C@H](c1nnnn1CCc1ccccc1)[N@@H+](CCCO)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013501018 555446416 /nfs/dbraw/zinc/44/64/16/555446416.db2.gz IOCVRQKLEHQGRD-XMMPIXPASA-N 1 2 474.609 3.792 40 0 JHABLO CCOc1ccc2[nH]c(=O)c([C@H](c3nnnn3C(C)(C)C)[N@@H+]3CCc4ccccc4C3)cc2c1 ZINC000019973299 555575668 /nfs/dbraw/zinc/57/56/68/555575668.db2.gz DQCWKRIKCPQEMA-HSZRJFAPSA-N 1 2 458.566 3.816 40 0 JHABLO CCOc1ccc2[nH]c(=O)c([C@H](c3nnnn3C(C)(C)C)[N@H+]3CCc4ccccc4C3)cc2c1 ZINC000019973299 555575674 /nfs/dbraw/zinc/57/56/74/555575674.db2.gz DQCWKRIKCPQEMA-HSZRJFAPSA-N 1 2 458.566 3.816 40 0 JHABLO O=C1C[C@@H](c2ccccc2F)Cc2nc(N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)ncc21 ZINC000020555693 555807951 /nfs/dbraw/zinc/80/79/51/555807951.db2.gz XTZRNHFLZGJGFR-SFHVURJKSA-N 1 2 460.509 3.579 40 0 JHABLO COc1ccccc1C[NH+]1CCN([C@@H](CC(C)C)c2nnnn2Cc2ccc(F)cc2)CC1 ZINC000022929237 555981269 /nfs/dbraw/zinc/98/12/69/555981269.db2.gz KBMDEDDVJXUQHI-QHCPKHFHSA-N 1 2 452.578 3.774 40 0 JHABLO COc1ccccc1C[NH+]1CCN([C@H](c2nnnn2Cc2cccs2)c2ccc(F)cc2)CC1 ZINC000022929767 555982293 /nfs/dbraw/zinc/98/22/93/555982293.db2.gz WFVXNSPSXQGXME-DEOSSOPVSA-N 1 2 478.597 3.838 40 0 JHABLO COc1ccccc1C[NH+]1CCN([C@@H](c2nnnn2Cc2cccs2)c2ccccc2)CC1 ZINC000022929751 555982369 /nfs/dbraw/zinc/98/23/69/555982369.db2.gz VDHLFQSPSDJWFO-XMMPIXPASA-N 1 2 460.607 3.699 40 0 JHABLO COc1cc2cc(C[N@H+](Cc3nnnn3CCc3ccccc3)C3CCCC3)c(=O)[nH]c2cc1OC ZINC000013033642 556232188 /nfs/dbraw/zinc/23/21/88/556232188.db2.gz VOAIMBWPEOPJLW-UHFFFAOYSA-N 1 2 488.592 3.719 40 0 JHABLO COc1cc2cc(C[N@@H+](Cc3nnnn3CCc3ccccc3)C3CCCC3)c(=O)[nH]c2cc1OC ZINC000013033642 556232192 /nfs/dbraw/zinc/23/21/92/556232192.db2.gz VOAIMBWPEOPJLW-UHFFFAOYSA-N 1 2 488.592 3.719 40 0 JHABLO NC(=O)C1CCN(C(=O)COc2nc(C[NH+]3CCCCC3)nc3scc(-c4cccs4)c32)CC1 ZINC000028616786 556337266 /nfs/dbraw/zinc/33/72/66/556337266.db2.gz DRNUSSOGXJHNKR-UHFFFAOYSA-N 1 2 499.662 3.508 40 0 JHABLO CC[C@@H](c1nnnn1C(C)(C)CC)N(CC[NH+]1CCOCC1)Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000019500580 556349729 /nfs/dbraw/zinc/34/97/29/556349729.db2.gz BUMOXCJLHYRYAS-QHCPKHFHSA-N 1 2 495.672 3.562 40 0 JHABLO C[C@H](C(=O)NCc1ccccc1-n1cc[nH+]c1)N(c1cc(Cl)ccc1Cl)S(C)(=O)=O ZINC000030853957 556378969 /nfs/dbraw/zinc/37/89/69/556378969.db2.gz KPOPRJMZONEIPI-CQSZACIVSA-N 1 2 467.378 3.650 40 0 JHABLO Cc1ccc2cc(CN(CC[NH+]3CCOCC3)C(=S)Nc3ccc(F)cc3)c(=O)[nH]c2c1 ZINC000019823552 556394113 /nfs/dbraw/zinc/39/41/13/556394113.db2.gz RMHRGZGTIWFLEF-UHFFFAOYSA-N 1 2 454.571 3.507 40 0 JHABLO Cc1cccc(NC(=S)N(CC[NH+]2CCOCC2)Cc2cc3c(C)cc(C)cc3[nH]c2=O)c1 ZINC000019825562 556396759 /nfs/dbraw/zinc/39/67/59/556396759.db2.gz NNZAXRLVPQSJKK-UHFFFAOYSA-N 1 2 464.635 3.985 40 0 JHABLO O=C(NCc1ccccc1)N1CCC(O)(c2csc(C[N@@H+]3CCc4ccccc4C3)n2)CC1 ZINC000225474243 560043187 /nfs/dbraw/zinc/04/31/87/560043187.db2.gz LVGATKPPNZQQCR-UHFFFAOYSA-N 1 2 462.619 3.895 40 0 biogenic,in-vitro JHABLO O=C(NCc1ccccc1)N1CCC(O)(c2csc(C[N@H+]3CCc4ccccc4C3)n2)CC1 ZINC000225474243 560043188 /nfs/dbraw/zinc/04/31/88/560043188.db2.gz LVGATKPPNZQQCR-UHFFFAOYSA-N 1 2 462.619 3.895 40 0 biogenic,in-vitro JHABLO COc1ccc(-c2nc(-c3noc4ccc(C(=O)NCC[NH+]5CCOCC5)cc43)cs2)cc1 ZINC000096154434 569736576 /nfs/dbraw/zinc/73/65/76/569736576.db2.gz WVHRSSHVKLUBDD-UHFFFAOYSA-N 1 2 464.547 3.689 40 0 JHABLO CCC1(CC)C[C@H](NC(=O)c2cc(S(=O)(=O)N3CC[NH+](C)CC3)ccc2C)c2ccccc2O1 ZINC000222668733 569888073 /nfs/dbraw/zinc/88/80/73/569888073.db2.gz UZMCZIHOTMDREN-QHCPKHFHSA-N 1 2 485.650 3.744 40 0 JHABLO S=C1N[C@H](c2ccccn2)[C@@H](c2ccc(Br)s2)N1CCC[NH+]1CCOCC1 ZINC000223168658 569901808 /nfs/dbraw/zinc/90/18/08/569901808.db2.gz BTZFEKUHUVRFOF-QZTJIDSGSA-N 1 2 467.458 3.600 40 0 JHABLO Fc1ccc(-c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3CC[NH+]3CCOCC3)o2)cc1 ZINC000223156842 569901438 /nfs/dbraw/zinc/90/14/38/569901438.db2.gz HEGJZKUCRIBNKM-XZOQPEGZSA-N 1 2 452.555 3.785 40 0 JHABLO Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC[NH+]2CCOCC2)c(C)n1-c1cccnc1 ZINC000223173928 569902011 /nfs/dbraw/zinc/90/20/11/569902011.db2.gz AKGRGLQRIWDSHB-DQEYMECFSA-N 1 2 476.650 3.579 40 0 JHABLO O=C(CN(Cc1cccc(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1)NCCCn1cc[nH+]c1 ZINC000408623375 569979204 /nfs/dbraw/zinc/97/92/04/569979204.db2.gz QITHZRWAKRTVPR-UHFFFAOYSA-N 1 2 481.405 3.587 40 0 JHABLO Cc1ccc(C(=O)N2CCOC[C@@H](Cc3ccc4[nH+]ccn4c3)C2)cc1NCc1ccccn1 ZINC000257222546 570114850 /nfs/dbraw/zinc/11/48/50/570114850.db2.gz DTSFCBBEEQWYAN-QFIPXVFZSA-N 1 2 455.562 3.981 40 0 JHABLO CC(C)(C)c1ccc2c(c1)N(CC(=O)N1CCC[C@@H]1c1cccc(-n3cc[nH+]c3)n1)C(=O)CO2 ZINC000257223181 570115024 /nfs/dbraw/zinc/11/50/24/570115024.db2.gz DWGYAKLGBJJZIA-HXUWFJFHSA-N 1 2 459.550 3.654 40 0 JHABLO COc1ccc([C@@H]2CN(C(=O)C3(Cc4ccc(F)cc4)CCN(C(C)=O)CC3)CC[N@@H+]2C)cc1 ZINC000257224919 570115510 /nfs/dbraw/zinc/11/55/10/570115510.db2.gz FDYJTISERUBCKL-VWLOTQADSA-N 1 2 467.585 3.521 40 0 JHABLO COc1ccc([C@@H]2CN(C(=O)C3(Cc4ccc(F)cc4)CCN(C(C)=O)CC3)CC[N@H+]2C)cc1 ZINC000257224919 570115512 /nfs/dbraw/zinc/11/55/12/570115512.db2.gz FDYJTISERUBCKL-VWLOTQADSA-N 1 2 467.585 3.521 40 0 JHABLO COc1ccc(C(=O)N2CCOC[C@H](Cc3ccc4[nH+]ccn4c3)C2)cc1NCc1cccnc1 ZINC000257238978 570119912 /nfs/dbraw/zinc/11/99/12/570119912.db2.gz HNJCWXRCKRECEL-JOCHJYFZSA-N 1 2 471.561 3.681 40 0 JHABLO O=C(c1ccccc1OCC[NH+]1CCOCC1)N1CCC[C@@H](Cc2cccc3n[nH]cc32)CC1 ZINC000257245275 570121531 /nfs/dbraw/zinc/12/15/31/570121531.db2.gz IOUAUGMKUHYCIL-OAQYLSRUSA-N 1 2 462.594 3.759 40 0 JHABLO CC(C)c1[nH+]c2ccccc2n1CC(=O)N1CCOC[C@]2(CN(c3ccc(F)cc3)C(=O)O2)C1 ZINC000257247505 570122430 /nfs/dbraw/zinc/12/24/30/570122430.db2.gz IZHMBAYWBPUKNE-RUZDIDTESA-N 1 2 466.513 3.553 40 0 JHABLO COc1cccc(Nc2ncccc2C(=O)N2CCOC[C@@H](Cc3ccc4[nH+]ccn4c3)C2)c1 ZINC000257263859 570127671 /nfs/dbraw/zinc/12/76/71/570127671.db2.gz LRTLOBTXUHGVLV-FQEVSTJZSA-N 1 2 457.534 3.813 40 0 JHABLO Cc1n[nH]c(C)c1Cc1ccc(C(=O)N(C)C[C@]2(O)CCCN(c3cc[nH+]c4ccncc43)C2)cc1 ZINC000257291021 570135831 /nfs/dbraw/zinc/13/58/31/570135831.db2.gz QFGOGBHCCGNNBF-MUUNZHRXSA-N 1 2 484.604 3.664 40 0 JHABLO COc1cccc(C(=O)N2CCCC[C@H]3C[N@H+](CC(=O)Nc4ccnn4C4CCCC4)C[C@H]32)c1OC ZINC000257308518 570140851 /nfs/dbraw/zinc/14/08/51/570140851.db2.gz TWZRQXCIFAKQGX-SIKLNZKXSA-N 1 2 495.624 3.581 40 0 JHABLO COc1cccc(C(=O)N2CCCC[C@H]3C[N@@H+](CC(=O)Nc4ccnn4C4CCCC4)C[C@H]32)c1OC ZINC000257308518 570140853 /nfs/dbraw/zinc/14/08/53/570140853.db2.gz TWZRQXCIFAKQGX-SIKLNZKXSA-N 1 2 495.624 3.581 40 0 JHABLO CCn1c(CCCC(=O)N(C)C[C@]2(O)CCN(c3cc(C)[nH+]c4ccncc43)C2)nc2ccccc21 ZINC000257332969 570148450 /nfs/dbraw/zinc/14/84/50/570148450.db2.gz XZMOGDAXWOBHCT-MUUNZHRXSA-N 1 2 486.620 3.730 40 0 JHABLO CCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@@H]2c1cccc(OC(C)=O)c1Cl ZINC000261362376 570167549 /nfs/dbraw/zinc/16/75/49/570167549.db2.gz IXOJHAFWOHUABE-NRFANRHFSA-O 1 2 471.946 3.741 40 0 JHABLO CCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@@H]2c1ccccc1Br ZINC000261363523 570168010 /nfs/dbraw/zinc/16/80/10/570168010.db2.gz HITOXSDFCBAGOB-IBGZPJMESA-O 1 2 458.361 3.925 40 0 JHABLO CCCC(=O)N1c2ccccc2-c2c(=O)[nH]c(SCC)n[n+]2[C@@H]1c1ccc2c(c1)OCO2 ZINC000261363798 570168223 /nfs/dbraw/zinc/16/82/23/570168223.db2.gz IIDBYPGSOPQWAB-JOCHJYFZSA-O 1 2 451.528 3.671 40 0 JHABLO CSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@@H]2c1ccc(Br)s1 ZINC000261364210 570168327 /nfs/dbraw/zinc/16/83/27/570168327.db2.gz JZSNWPXADVJXAO-INIZCTEOSA-O 1 2 450.363 3.596 40 0 JHABLO CCCC(=O)N1c2ccccc2-c2c(=O)[nH]c(SC)n[n+]2[C@@H]1c1cc2c(cc1Cl)OCO2 ZINC000261364856 570168680 /nfs/dbraw/zinc/16/86/80/570168680.db2.gz ODXCLHNDNBUDTG-OAQYLSRUSA-O 1 2 471.946 3.934 40 0 JHABLO CC[C@@H](c1nnnn1CCOC)[N@H+](Cc1ccccc1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000057641601 195355607 /nfs/dbraw/zinc/35/56/07/195355607.db2.gz LGHSOCFEPNYGJQ-DEOSSOPVSA-N 1 2 460.582 3.931 40 0 JHABLO CC[C@@H](c1nnnn1CCOC)[N@@H+](Cc1ccccc1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000057641601 195355608 /nfs/dbraw/zinc/35/56/08/195355608.db2.gz LGHSOCFEPNYGJQ-DEOSSOPVSA-N 1 2 460.582 3.931 40 0 JHABLO CC1CC[NH+]([C@@H](c2nnnn2C2CCCCC2)c2cc3cc4c(cc3[nH]c2=O)OCO4)CC1 ZINC000006148982 521034545 /nfs/dbraw/zinc/03/45/45/521034545.db2.gz NJFKIQZNHOCDOZ-JOCHJYFZSA-N 1 2 450.543 3.570 40 0 JHABLO CCC[C@]1(C(=O)OCC)[NH2+][C@@H](c2ccccc2C)[C@H]2C(=O)N(c3cccc(C(C)=O)c3)C(=O)[C@@H]21 ZINC000012498143 521305884 /nfs/dbraw/zinc/30/58/84/521305884.db2.gz PJMDWFBVLPZOAQ-GIRPNKPCSA-N 1 2 462.546 3.750 40 0 JHABLO CCc1ccccc1N(CC(=O)NCc1ccc(-n2cc[nH+]c2)cc1)S(=O)(=O)c1ccccc1 ZINC000020454026 521848033 /nfs/dbraw/zinc/84/80/33/521848033.db2.gz IGIOCALOTZTBIA-UHFFFAOYSA-N 1 2 474.586 3.946 40 0 JHABLO Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccccc2-n2cc[nH+]c2)c2ccc(F)cc2)cc1 ZINC000022431586 525504803 /nfs/dbraw/zinc/50/48/03/525504803.db2.gz PUQVSZPJMGXIJS-UHFFFAOYSA-N 1 2 478.549 3.832 40 0 JHABLO O=C(NCc1ccc(-n2cc[nH+]c2)cc1)C1CCN(S(=O)(=O)Cc2c(F)cccc2Cl)CC1 ZINC000044904022 526650022 /nfs/dbraw/zinc/65/00/22/526650022.db2.gz HXIDMVPZKRHULY-UHFFFAOYSA-N 1 2 490.988 3.523 40 0 JHABLO CC[N@H+](Cc1ccccc1)[C@@H](c1nnnn1C[C@H]1CCCO1)c1cc2c(C)cc(C)cc2[nH]c1=O ZINC000000894860 553830881 /nfs/dbraw/zinc/83/08/81/553830881.db2.gz BJVLHQYCDIPNCW-PXDATVDWSA-N 1 2 472.593 3.922 40 0 JHABLO CC[N@@H+](Cc1ccccc1)[C@@H](c1nnnn1C[C@H]1CCCO1)c1cc2c(C)cc(C)cc2[nH]c1=O ZINC000000894860 553830882 /nfs/dbraw/zinc/83/08/82/553830882.db2.gz BJVLHQYCDIPNCW-PXDATVDWSA-N 1 2 472.593 3.922 40 0 JHABLO CCc1ccccc1NC(=S)N(CC[NH+]1CCOCC1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000000894909 553830899 /nfs/dbraw/zinc/83/08/99/553830899.db2.gz WDBWPAUTNLAFOD-UHFFFAOYSA-N 1 2 464.635 3.930 40 0 JHABLO CCc1ccc2[nH]c(=O)c(CN(CC[NH+]3CCOCC3)C(=S)Nc3ccc(OC)cc3)cc2c1 ZINC000000916843 553848163 /nfs/dbraw/zinc/84/81/63/553848163.db2.gz ARKDWUZLOPLBIE-UHFFFAOYSA-N 1 2 480.634 3.630 40 0 JHABLO COc1ccc(Cn2nnnc2[C@@H](c2cc3ccc(C)cc3[nH]c2=O)[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000006410105 554535323 /nfs/dbraw/zinc/53/53/23/554535323.db2.gz AHFDJYBTLHQISK-MHECFPHRSA-N 1 2 458.566 3.701 40 0 JHABLO COc1ccc(Cn2nnnc2[C@@H](c2cc3ccc(C)cc3[nH]c2=O)[N@H+]2CCC[C@H](C)C2)cc1 ZINC000006410105 554535328 /nfs/dbraw/zinc/53/53/28/554535328.db2.gz AHFDJYBTLHQISK-MHECFPHRSA-N 1 2 458.566 3.701 40 0 JHABLO Cc1ccc2cc(C[N@@H+](Cc3ccco3)[C@@H](c3nnnn3C[C@@H]3CCCO3)C(C)C)c(=O)[nH]c2c1 ZINC000013498534 555421432 /nfs/dbraw/zinc/42/14/32/555421432.db2.gz LMVJKZQBEOKUQU-LADGPHEKSA-N 1 2 476.581 3.995 40 0 JHABLO Cc1ccc2cc(C[N@H+](Cc3ccco3)[C@@H](c3nnnn3C[C@@H]3CCCO3)C(C)C)c(=O)[nH]c2c1 ZINC000013498534 555421434 /nfs/dbraw/zinc/42/14/34/555421434.db2.gz LMVJKZQBEOKUQU-LADGPHEKSA-N 1 2 476.581 3.995 40 0 JHABLO CCC(C)(C)n1nnnc1[C@@H](C(C)C)[N@H+](CCCO)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013500562 555441495 /nfs/dbraw/zinc/44/14/95/555441495.db2.gz XDHVXANRYYPIJV-JOCHJYFZSA-N 1 2 454.619 3.858 40 0 JHABLO CCC(C)(C)n1nnnc1[C@@H](C(C)C)[N@@H+](CCCO)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013500562 555441497 /nfs/dbraw/zinc/44/14/97/555441497.db2.gz XDHVXANRYYPIJV-JOCHJYFZSA-N 1 2 454.619 3.858 40 0 JHABLO Cn1c(SCc2ccccc2)nnc1[C@@H]1CCC[N@H+](CC(=O)Nc2ccc3c(c2)OCO3)C1 ZINC000013565149 555501218 /nfs/dbraw/zinc/50/12/18/555501218.db2.gz ZCMWQHWHIUZGFS-GOSISDBHSA-N 1 2 465.579 3.654 40 0 JHABLO Cn1c(SCc2ccccc2)nnc1[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc3c(c2)OCO3)C1 ZINC000013565149 555501222 /nfs/dbraw/zinc/50/12/22/555501222.db2.gz ZCMWQHWHIUZGFS-GOSISDBHSA-N 1 2 465.579 3.654 40 0 JHABLO COc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(-n3cc[nH+]c3)cc2)c2ccc(F)cc2)cc1 ZINC000020049178 555618691 /nfs/dbraw/zinc/61/86/91/555618691.db2.gz PIBZULWRZJWSNM-UHFFFAOYSA-N 1 2 494.548 3.532 40 0 JHABLO CCc1ccc2[nH]c(=O)c(C[N@H+](CCc3ccccc3)Cc3nnnn3C[C@H]3CCCO3)cc2c1 ZINC000020081577 555630131 /nfs/dbraw/zinc/63/01/31/555630131.db2.gz KWJKCILFMNRKMT-XMMPIXPASA-N 1 2 472.593 3.501 40 0 JHABLO CCc1ccc2[nH]c(=O)c(C[N@@H+](CCc3ccccc3)Cc3nnnn3C[C@H]3CCCO3)cc2c1 ZINC000020081577 555630134 /nfs/dbraw/zinc/63/01/34/555630134.db2.gz KWJKCILFMNRKMT-XMMPIXPASA-N 1 2 472.593 3.501 40 0 JHABLO O=c1[nH]c2cc3c(cc2cc1C[N@H+](CCc1ccccc1)Cc1nnnn1C1CCCC1)OCCO3 ZINC000020109366 555645215 /nfs/dbraw/zinc/64/52/15/555645215.db2.gz PRFDYCSFHJVDQQ-UHFFFAOYSA-N 1 2 486.576 3.646 40 0 JHABLO O=c1[nH]c2cc3c(cc2cc1C[N@@H+](CCc1ccccc1)Cc1nnnn1C1CCCC1)OCCO3 ZINC000020109366 555645218 /nfs/dbraw/zinc/64/52/18/555645218.db2.gz PRFDYCSFHJVDQQ-UHFFFAOYSA-N 1 2 486.576 3.646 40 0 JHABLO CCC[C@@H](c1nnnn1C1CCCC1)N(CC[NH+]1CCOCC1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000022928402 555979028 /nfs/dbraw/zinc/97/90/28/555979028.db2.gz JCPUXZVAUCEJHK-DEOSSOPVSA-N 1 2 493.656 3.614 40 0 JHABLO Cc1ccc([C@@H](c2nnnn2C2CCCC2)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)cc1 ZINC000022928612 555979743 /nfs/dbraw/zinc/97/97/43/555979743.db2.gz ROLANKIXEWZQRE-VWLOTQADSA-N 1 2 460.582 3.733 40 0 JHABLO COc1ccc2[nH]c(=O)c([C@H](c3nnnn3CCc3ccccc3)[NH+]3CCC(C)CC3)cc2c1 ZINC000013023179 556212462 /nfs/dbraw/zinc/21/24/62/556212462.db2.gz JTYDQAZBWQZGSP-XMMPIXPASA-N 1 2 458.566 3.587 40 0 JHABLO CCOc1ccc(NC(=S)N(CC[NH+]2CCOCC2)Cc2cc3ccc(C)cc3[nH]c2=O)cc1 ZINC000026100304 556241317 /nfs/dbraw/zinc/24/13/17/556241317.db2.gz VDWSOJUXLKKKRJ-UHFFFAOYSA-N 1 2 480.634 3.766 40 0 JHABLO C[C@@H]1Cc2cc(S(=O)(=O)N3CC[NH+](Cc4ccccc4)CC3)ccc2N1C(=O)c1ccccc1 ZINC000028207061 556317941 /nfs/dbraw/zinc/31/79/41/556317941.db2.gz CEDYKBOXZQVMOC-OAQYLSRUSA-N 1 2 475.614 3.785 40 0 JHABLO Cc1cc(C)c2[nH]c(=O)c(C[N@H+](CCc3ccccc3)Cc3nnnn3C[C@@H]3CCCO3)cc2c1 ZINC000019568271 556354989 /nfs/dbraw/zinc/35/49/89/556354989.db2.gz WOBBLJLURYHWMA-DEOSSOPVSA-N 1 2 472.593 3.555 40 0 JHABLO Cc1cc(C)c2[nH]c(=O)c(C[N@@H+](CCc3ccccc3)Cc3nnnn3C[C@@H]3CCCO3)cc2c1 ZINC000019568271 556354992 /nfs/dbraw/zinc/35/49/92/556354992.db2.gz WOBBLJLURYHWMA-DEOSSOPVSA-N 1 2 472.593 3.555 40 0 JHABLO CCOC(=O)[C@H]1[C@@H](c2ccc(OC)c(O)c2)c2cc3c(cc2O[C@@]1(C)[NH+]1CCCC1)OCO3 ZINC000031772121 556402879 /nfs/dbraw/zinc/40/28/79/556402879.db2.gz XXXMYHVZBRTHKQ-JBRSBNLGSA-N 1 2 455.507 3.645 40 0 JHABLO CCC(C)(C)n1nnnc1C[N@H+](Cc1cc2cc(OC)c(OC)cc2[nH]c1=O)C1CCCC1 ZINC000008586317 562941027 /nfs/dbraw/zinc/94/10/27/562941027.db2.gz ILUMQLYFKWBLHQ-UHFFFAOYSA-N 1 2 454.575 3.622 40 0 JHABLO CCC(C)(C)n1nnnc1C[N@@H+](Cc1cc2cc(OC)c(OC)cc2[nH]c1=O)C1CCCC1 ZINC000008586317 562941028 /nfs/dbraw/zinc/94/10/28/562941028.db2.gz ILUMQLYFKWBLHQ-UHFFFAOYSA-N 1 2 454.575 3.622 40 0 JHABLO CC[C@H](c1nnnn1C[C@H]1CCCO1)[N@H+](Cc1cccs1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000033936990 569638206 /nfs/dbraw/zinc/63/82/06/569638206.db2.gz KPNPYHWRSWJQTI-NFBKMPQASA-N 1 2 494.621 3.917 40 0 JHABLO CC[C@H](c1nnnn1C[C@H]1CCCO1)[N@@H+](Cc1cccs1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000033936990 569638208 /nfs/dbraw/zinc/63/82/08/569638208.db2.gz KPNPYHWRSWJQTI-NFBKMPQASA-N 1 2 494.621 3.917 40 0 JHABLO CCOc1ccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2CC[NH+]2CCOCC2)cc1 ZINC000223153618 569901289 /nfs/dbraw/zinc/90/12/89/569901289.db2.gz NWPQEMCKMOCRJG-DQEYMECFSA-N 1 2 477.634 3.576 40 0 JHABLO Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC[NH+]2CCOCC2)c(C)n1-c1cccnc1 ZINC000223173752 569902041 /nfs/dbraw/zinc/90/20/41/569902041.db2.gz AKGRGLQRIWDSHB-JWQCQUIFSA-N 1 2 476.650 3.579 40 0 JHABLO Fc1cccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2CCC[NH+]2CCOCC2)c1 ZINC000223194882 569902919 /nfs/dbraw/zinc/90/29/19/569902919.db2.gz DTLLLJMWYIRVQU-ZEQRLZLVSA-N 1 2 465.598 3.706 40 0 JHABLO COc1cccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC[NH+]2CCOCC2)c1 ZINC000223195764 569902960 /nfs/dbraw/zinc/90/29/60/569902960.db2.gz DMVHIFSORFNZOL-RPBOFIJWSA-N 1 2 477.634 3.576 40 0 JHABLO COc1ccc(C(=O)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)cc1COc1ccccc1OC ZINC000224245805 569937959 /nfs/dbraw/zinc/93/79/59/569937959.db2.gz JKIHPNOYXQRPPF-UHFFFAOYSA-N 1 2 490.556 3.970 40 0 JHABLO Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCc3ccc(C[NH+]4CCOCC4)cc3)cc2C)cc1 ZINC000224562236 569948514 /nfs/dbraw/zinc/94/85/14/569948514.db2.gz ZSVHKADQDWYSMU-UHFFFAOYSA-N 1 2 493.629 3.866 40 0 JHABLO C[C@@H](NS(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000408598029 569967742 /nfs/dbraw/zinc/96/77/42/569967742.db2.gz YXMNUUZSLKDQOX-ZGRWHYIRSA-N 1 2 482.433 3.518 40 0 JHABLO O=C(CCCN1c2cccc3cccc(c23)S1(=O)=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000408705130 570024397 /nfs/dbraw/zinc/02/43/97/570024397.db2.gz YOVQIKHLEFZIBF-UXBLZVDNSA-N 1 2 475.614 3.986 40 0 JHABLO CC(C)(C)OC(=O)N[C@@H]1C[C@@H](Oc2ccc(F)cc2F)[C@H](O)[C@H]1[NH+]1CCN(c2ccccc2)CC1 ZINC000257217844 570113457 /nfs/dbraw/zinc/11/34/57/570113457.db2.gz DAWARWBPTOTGMA-AZOUXBGGSA-N 1 2 489.563 3.561 40 0 JHABLO Cc1[nH]ncc1C[N@@H+]1CCC[C@@](COc2ccc(Cl)c(C)c2)(CC(=O)N2CCOCC2)C1 ZINC000257222880 570114910 /nfs/dbraw/zinc/11/49/10/570114910.db2.gz DUYRWAFMBYNSPF-XMMPIXPASA-N 1 2 461.006 3.590 40 0 JHABLO Cc1[nH]ncc1C[N@H+]1CCC[C@@](COc2ccc(Cl)c(C)c2)(CC(=O)N2CCOCC2)C1 ZINC000257222880 570114911 /nfs/dbraw/zinc/11/49/11/570114911.db2.gz DUYRWAFMBYNSPF-XMMPIXPASA-N 1 2 461.006 3.590 40 0 JHABLO COc1ccc(Nc2ncccc2C(=O)N2CCOC[C@H](Cc3ccc4[nH+]ccn4c3)C2)cc1 ZINC000257297799 570137779 /nfs/dbraw/zinc/13/77/79/570137779.db2.gz RIVRDDRVJAWUJB-HXUWFJFHSA-N 1 2 457.534 3.813 40 0 JHABLO COc1ccc(-c2csc(NC(=O)C[N@@H+]3CC[C@H](Oc4ccccc4)[C@@](C)(O)C3)n2)cc1 ZINC000257309769 570141338 /nfs/dbraw/zinc/14/13/38/570141338.db2.gz UCHXFZQIWUGBNE-URXFXBBRSA-N 1 2 453.564 3.662 40 0 JHABLO COc1ccc(-c2csc(NC(=O)C[N@H+]3CC[C@H](Oc4ccccc4)[C@@](C)(O)C3)n2)cc1 ZINC000257309769 570141339 /nfs/dbraw/zinc/14/13/39/570141339.db2.gz UCHXFZQIWUGBNE-URXFXBBRSA-N 1 2 453.564 3.662 40 0 JHABLO CNC(=O)c1cccc([C@H]2CN(C(=O)c3cccc(OCc4ccc(F)cc4)c3)CC[N@@H+]2C)c1 ZINC000257312840 570142366 /nfs/dbraw/zinc/14/23/66/570142366.db2.gz UPTUSXBHHJHKEY-RUZDIDTESA-N 1 2 461.537 3.893 40 0 JHABLO CNC(=O)c1cccc([C@H]2CN(C(=O)c3cccc(OCc4ccc(F)cc4)c3)CC[N@H+]2C)c1 ZINC000257312840 570142368 /nfs/dbraw/zinc/14/23/68/570142368.db2.gz UPTUSXBHHJHKEY-RUZDIDTESA-N 1 2 461.537 3.893 40 0 JHABLO Cc1cc(N2CC[C@@](O)(CN(C)C(=O)c3ccc4c(c3)ncn4C(C)C)C2)c2cnccc2[nH+]1 ZINC000257317630 570143793 /nfs/dbraw/zinc/14/37/93/570143793.db2.gz VKOPOBVSBVEMPE-AREMUKBSSA-N 1 2 458.566 3.582 40 0 JHABLO CCOc1cc([C@@H]2N(C(=O)CC)c3ccccc3-c3c(=O)[nH]c(SC)n[n+]32)ccc1OC(=O)CC ZINC000261362472 570167561 /nfs/dbraw/zinc/16/75/61/570167561.db2.gz DFAOSAMYYFZSBY-XMMPIXPASA-O 1 2 495.581 3.876 40 0 JHABLO CCOc1ccc([C@@H]2N(C(C)=O)c3ccccc3-c3c(=O)[nH]c(SCC)n[n+]32)cc1OCC ZINC000261363163 570167964 /nfs/dbraw/zinc/16/79/64/570167964.db2.gz PPNDMVPUVMAXPR-HSZRJFAPSA-O 1 2 467.571 3.960 40 0 JHABLO CCC(=O)N1c2ccccc2-c2c(=O)[nH]c(SC)n[n+]2[C@@H]1c1ccc(Br)s1 ZINC000261363595 570168066 /nfs/dbraw/zinc/16/80/66/570168066.db2.gz HRRRPZPEQWBCAK-QGZVFWFLSA-O 1 2 464.390 3.986 40 0 JHABLO CCC(=O)Oc1ccc(C)cc1[C@H]1N(C(=O)CC)c2ccccc2-c2c(=O)[nH]c(SC)n[n+]21 ZINC000261364396 570168579 /nfs/dbraw/zinc/16/85/79/570168579.db2.gz LGEXUZQRPMAJDK-QHCPKHFHSA-O 1 2 465.555 3.786 40 0 JHABLO CCC(=O)N1c2ccccc2-c2c(=O)[nH]c(SC)n[n+]2[C@@H]1c1ccccc1Br ZINC000261365349 570169024 /nfs/dbraw/zinc/16/90/24/570169024.db2.gz RNKIIUUXCVAHSW-LJQANCHMSA-O 1 2 458.361 3.925 40 0 JHABLO CCC(=O)N1c2ccccc2-c2c(=O)[nH]c(SC)n[n+]2[C@H]1c1cc(Cl)cc(OC)c1OC ZINC000261365423 570169046 /nfs/dbraw/zinc/16/90/46/570169046.db2.gz SEBGVGUZKYCNFA-NRFANRHFSA-O 1 2 473.962 3.833 40 0 JHABLO CSc1n[n+]2c(c(=O)[nH]1)-c1cc(Br)ccc1N(C(C)=O)[C@H]2c1ccc(F)cc1 ZINC000261365691 570169204 /nfs/dbraw/zinc/16/92/04/570169204.db2.gz UQUMBVCTLKKWLF-GOSISDBHSA-O 1 2 462.324 3.674 40 0 JHABLO CCC(=O)N1c2ccccc2-c2c(=O)[nH]c(SC)n[n+]2[C@H]1c1cc(OC)ccc1Br ZINC000261365723 570169228 /nfs/dbraw/zinc/16/92/28/570169228.db2.gz UWDHSARKKQNEKO-FQEVSTJZSA-O 1 2 488.387 3.933 40 0 JHABLO C[C@H](CO)Nc1nc(NCc2cccc(Cl)c2)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000328969282 570179842 /nfs/dbraw/zinc/17/98/42/570179842.db2.gz DDISJISZPWEYAE-CYBMUJFWSA-N 1 2 452.864 3.944 40 0 JHABLO OCCCNc1nc(Nc2ccc(I)cc2Cl)cc(-c2ccccc2)[nH+]1 ZINC000328984071 570180579 /nfs/dbraw/zinc/18/05/79/570180579.db2.gz HKJPJINEFPYITO-UHFFFAOYSA-N 1 2 480.737 3.783 40 0 JHABLO Cc1ccc(S(=O)(=O)N(CC(=O)NCCCn2cc[nH+]c2)c2cc(Cl)ccc2Cl)cc1 ZINC000408574774 570205511 /nfs/dbraw/zinc/20/55/11/570205511.db2.gz CXGJCAURWPGIDU-UHFFFAOYSA-N 1 2 481.405 3.900 40 0 JHABLO O=C(CSc1[nH+]cnc2c1cnn2-c1ccccc1Cl)Nc1ccc2c(c1)OCCO2 ZINC000001346513 194099005 /nfs/dbraw/zinc/09/90/05/194099005.db2.gz HXRWQFSHDQCELR-UHFFFAOYSA-N 1 2 453.911 3.971 40 0 JHABLO Cc1ccc2cc(CN(CC[NH+]3CCOCC3)C(=O)Nc3ccccc3Cl)c(=O)[nH]c2c1 ZINC000001352790 194099684 /nfs/dbraw/zinc/09/96/84/194099684.db2.gz PVHXMRBBPFBIRG-UHFFFAOYSA-N 1 2 454.958 3.856 40 0 JHABLO CCOC(=O)Cn1nnnc1[C@H](CC)[N@H+](Cc1ccccc1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000001375103 194109454 /nfs/dbraw/zinc/10/94/54/194109454.db2.gz DCKWBSAJZPDIGA-DEOSSOPVSA-N 1 2 488.592 3.848 40 0 JHABLO CCOC(=O)Cn1nnnc1[C@H](CC)[N@@H+](Cc1ccccc1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000001375103 194109456 /nfs/dbraw/zinc/10/94/56/194109456.db2.gz DCKWBSAJZPDIGA-DEOSSOPVSA-N 1 2 488.592 3.848 40 0 JHABLO Cc1cccc2cc(CN(CC[NH+]3CCOCC3)C(=O)Nc3ccc(Cl)cc3)c(=O)[nH]c12 ZINC000001378183 194112427 /nfs/dbraw/zinc/11/24/27/194112427.db2.gz VLTMEUMMFGRHGL-UHFFFAOYSA-N 1 2 454.958 3.856 40 0 JHABLO COc1ccc(Cn2nnnc2[C@H](c2cc3c(C)ccc(C)c3[nH]c2=O)[NH+]2CCCCC2)cc1 ZINC000006322197 194424768 /nfs/dbraw/zinc/42/47/68/194424768.db2.gz IWRLKUSHKUOHFD-DEOSSOPVSA-N 1 2 458.566 3.764 40 0 JHABLO CC[C@H](c1nnnn1CCOC)[N@H+](Cc1ccc(OC)cc1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000057641967 195355865 /nfs/dbraw/zinc/35/58/65/195355865.db2.gz YWMKXDHSFCOTFR-RUZDIDTESA-N 1 2 490.608 3.940 40 0 JHABLO CC[C@H](c1nnnn1CCOC)[N@@H+](Cc1ccc(OC)cc1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000057641967 195355867 /nfs/dbraw/zinc/35/58/67/195355867.db2.gz YWMKXDHSFCOTFR-RUZDIDTESA-N 1 2 490.608 3.940 40 0 JHABLO CCOc1ccc2cc(C[NH2+]c3ccc(N4CCN(c5ncccn5)CC4)cc3)c(=O)[nH]c2c1 ZINC000057712586 195357994 /nfs/dbraw/zinc/35/79/94/195357994.db2.gz UQKQPCARGKWXGR-UHFFFAOYSA-N 1 2 456.550 3.656 40 0 JHABLO CCOC(=O)[C@H]1CCC[N@@H+](c2ccc(NCc3cc4cc5c(cc4[nH]c3=O)OCCO5)cc2)C1 ZINC000057718151 195358141 /nfs/dbraw/zinc/35/81/41/195358141.db2.gz QQQWDOIBFAFIRI-KRWDZBQOSA-N 1 2 463.534 3.691 40 0 JHABLO CCOC(=O)[C@H]1CCC[N@H+](c2ccc(NCc3cc4cc5c(cc4[nH]c3=O)OCCO5)cc2)C1 ZINC000057718151 195358142 /nfs/dbraw/zinc/35/81/42/195358142.db2.gz QQQWDOIBFAFIRI-KRWDZBQOSA-N 1 2 463.534 3.691 40 0 JHABLO CCC(C)(C)n1nnnc1[C@H](C(C)C)[N@@H+](Cc1cc2cc3c(cc2[nH]c1=O)OCO3)C[C@@H]1CCCO1 ZINC000013500417 521372316 /nfs/dbraw/zinc/37/23/16/521372316.db2.gz DHDICBDYNLDILM-CVDCTZTESA-N 1 2 496.612 3.767 40 0 JHABLO CCC(C)(C)n1nnnc1[C@H](C(C)C)[N@H+](Cc1cc2cc3c(cc2[nH]c1=O)OCO3)C[C@@H]1CCCO1 ZINC000013500417 521372322 /nfs/dbraw/zinc/37/23/22/521372322.db2.gz DHDICBDYNLDILM-CVDCTZTESA-N 1 2 496.612 3.767 40 0 JHABLO COc1cc2cc([C@@H](c3nnnn3C3CCCCC3)[NH+]3CCCCC3)c(=O)[nH]c2cc1OC ZINC000006239478 523058965 /nfs/dbraw/zinc/05/89/65/523058965.db2.gz RSQZKJIPFJKQLP-QFIPXVFZSA-N 1 2 452.559 3.612 40 0 JHABLO CS(=O)(=O)N(Cc1ccc(C(=O)NCc2ccccc2-n2cc[nH+]c2)cc1)c1ccccc1 ZINC000044899909 525156897 /nfs/dbraw/zinc/15/68/97/525156897.db2.gz OMJGMPBOLVWJJS-UHFFFAOYSA-N 1 2 460.559 3.769 40 0 JHABLO C[C@H](C(=O)NCC[NH+]1CCOCC1)[C@H]1CC[C@@]2(C)Cc3sc(-c4ccccc4)nc3[C@@H](C)[C@@H]2[C@H]1O ZINC000020504528 526052231 /nfs/dbraw/zinc/05/22/31/526052231.db2.gz CPVQCSKKMGGMDM-QIHOUKJOSA-N 1 2 497.705 3.948 40 0 biogenic,in-vitro JHABLO O=C(CN(c1ccccc1F)S(=O)(=O)c1ccccc1)NCc1ccccc1-n1cc[nH+]c1 ZINC000020488056 526705288 /nfs/dbraw/zinc/70/52/88/526705288.db2.gz WJMRLIZFPFIWHB-UHFFFAOYSA-N 1 2 464.522 3.523 40 0 JHABLO COc1ccc(NC(=S)N(CC[NH+]2CCOCC2)Cc2cc3cc(C)cc(C)c3[nH]c2=O)cc1 ZINC000000875508 553812435 /nfs/dbraw/zinc/81/24/35/553812435.db2.gz NNTDNJUPSAZZPK-UHFFFAOYSA-N 1 2 480.634 3.685 40 0 JHABLO Cc1cccc(NC(=S)N(CC[NH+]2CCOCC2)Cc2cc3cc(C)c(C)cc3[nH]c2=O)c1 ZINC000000884866 553823319 /nfs/dbraw/zinc/82/33/19/553823319.db2.gz ILTDVCDKYZPTPT-UHFFFAOYSA-N 1 2 464.635 3.985 40 0 JHABLO C[C@H]1CCC[N@@H+]([C@@H](c2nnnn2C2CCCCC2)c2cc3cc4c(cc3[nH]c2=O)OCCO4)C1 ZINC000000913380 553842004 /nfs/dbraw/zinc/84/20/04/553842004.db2.gz UAZRVOTWRZTYOK-QMHKHESXSA-N 1 2 464.570 3.612 40 0 JHABLO C[C@H]1CCC[N@H+]([C@@H](c2nnnn2C2CCCCC2)c2cc3cc4c(cc3[nH]c2=O)OCCO4)C1 ZINC000000913380 553842006 /nfs/dbraw/zinc/84/20/06/553842006.db2.gz UAZRVOTWRZTYOK-QMHKHESXSA-N 1 2 464.570 3.612 40 0 JHABLO Cc1cc2cc(CN(CC[NH+]3CCOCC3)C(=S)NCCc3ccccc3)c(=O)[nH]c2cc1Cl ZINC000000931586 553870030 /nfs/dbraw/zinc/87/00/30/553870030.db2.gz WESGWMLVDYDYNZ-UHFFFAOYSA-N 1 2 499.080 3.741 40 0 JHABLO COCCn1nnnc1[C@H](C(C)C)[N@H+](Cc1cccnc1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000013498975 555426877 /nfs/dbraw/zinc/42/68/77/555426877.db2.gz PRWCOTLGXSUTQZ-DEOSSOPVSA-N 1 2 475.597 3.572 40 0 JHABLO COCCn1nnnc1[C@H](C(C)C)[N@@H+](Cc1cccnc1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000013498975 555426879 /nfs/dbraw/zinc/42/68/79/555426879.db2.gz PRWCOTLGXSUTQZ-DEOSSOPVSA-N 1 2 475.597 3.572 40 0 JHABLO Cc1cc(C)c2cc(C[N@@H+](CCO)[C@@H](c3nnnn3CCc3ccccc3)C(C)C)c(=O)[nH]c2c1 ZINC000013499082 555428007 /nfs/dbraw/zinc/42/80/07/555428007.db2.gz QFMFRCGYQQMTHK-RUZDIDTESA-N 1 2 474.609 3.566 40 0 JHABLO Cc1cc(C)c2cc(C[N@H+](CCO)[C@@H](c3nnnn3CCc3ccccc3)C(C)C)c(=O)[nH]c2c1 ZINC000013499082 555428011 /nfs/dbraw/zinc/42/80/11/555428011.db2.gz QFMFRCGYQQMTHK-RUZDIDTESA-N 1 2 474.609 3.566 40 0 JHABLO CCC[C@H](c1nnnn1CC(=O)OCC)[N@H+](Cc1cccs1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000013499321 555430357 /nfs/dbraw/zinc/43/03/57/555430357.db2.gz WJUUHUJDOLGECU-JOCHJYFZSA-N 1 2 494.621 3.991 40 0 JHABLO CCC[C@H](c1nnnn1CC(=O)OCC)[N@@H+](Cc1cccs1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000013499321 555430358 /nfs/dbraw/zinc/43/03/58/555430358.db2.gz WJUUHUJDOLGECU-JOCHJYFZSA-N 1 2 494.621 3.991 40 0 JHABLO CCC[C@@H](c1nnnn1C1CCCC1)[N@H+](CCCO)Cc1cc2cc(OCC)ccc2[nH]c1=O ZINC000013501057 555446884 /nfs/dbraw/zinc/44/68/84/555446884.db2.gz WOMDHHHAUASMMN-QHCPKHFHSA-N 1 2 468.602 3.754 40 0 JHABLO CCC[C@@H](c1nnnn1C1CCCC1)[N@@H+](CCCO)Cc1cc2cc(OCC)ccc2[nH]c1=O ZINC000013501057 555446888 /nfs/dbraw/zinc/44/68/88/555446888.db2.gz WOMDHHHAUASMMN-QHCPKHFHSA-N 1 2 468.602 3.754 40 0 JHABLO CC(C)C[C@@H](c1nnnn1C[C@@H]1CCCO1)[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000013504339 555463612 /nfs/dbraw/zinc/46/36/12/555463612.db2.gz FDBKSYLIJIQCBT-PMACEKPBSA-N 1 2 452.525 3.780 40 0 JHABLO Cc1cc2cc(C[N@H+](CCc3ccccc3)Cc3nnnn3C[C@@H]3CCCO3)c(=O)[nH]c2cc1C ZINC000020081775 555630580 /nfs/dbraw/zinc/63/05/80/555630580.db2.gz HKOJVUCPTCFHJX-DEOSSOPVSA-N 1 2 472.593 3.555 40 0 JHABLO Cc1cc2cc(C[N@@H+](CCc3ccccc3)Cc3nnnn3C[C@@H]3CCCO3)c(=O)[nH]c2cc1C ZINC000020081775 555630583 /nfs/dbraw/zinc/63/05/83/555630583.db2.gz HKOJVUCPTCFHJX-DEOSSOPVSA-N 1 2 472.593 3.555 40 0 JHABLO CCC[C@H](c1nnnn1C1CCCC1)N(CC[NH+]1CCOCC1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000022928399 555979104 /nfs/dbraw/zinc/97/91/04/555979104.db2.gz JCPUXZVAUCEJHK-XMMPIXPASA-N 1 2 493.656 3.614 40 0 JHABLO CCC(C)(C)n1nnnc1[C@H](c1ccccc1F)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000022928805 555980120 /nfs/dbraw/zinc/98/01/20/555980120.db2.gz BKVWRSVUMOJRLF-QHCPKHFHSA-N 1 2 466.561 3.593 40 0 JHABLO COc1ccc(OC)c([C@@H](c2nnnn2CCC(C)C)N2CC[NH+](Cc3ccccc3OC)CC2)c1 ZINC000022929833 555982387 /nfs/dbraw/zinc/98/23/87/555982387.db2.gz KUVGJZKJNIGOBQ-SANMLTNESA-N 1 2 494.640 3.652 40 0 JHABLO O[C@@H](COc1c(F)cc(Br)cc1F)CN1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000026919807 556265809 /nfs/dbraw/zinc/26/58/09/556265809.db2.gz FAUWJJNCQIHFQX-QGZVFWFLSA-N 1 2 475.761 3.938 40 0 JHABLO O=C(CSC1=[NH+][C@H]2CS(=O)(=O)C[C@H]2N1Cc1ccc(Cl)cc1)Nc1cccc(Cl)c1 ZINC000032640137 556460642 /nfs/dbraw/zinc/46/06/42/556460642.db2.gz FNAGPTSAAWIZFY-ZWKOTPCHSA-N 1 2 484.430 3.703 40 0 JHABLO C[C@@]1(O)CC[N@H+](Cc2ccc3c(c2)OCO3)[C@@H](c2cccs2)[C@@H]1NC(=O)c1ccccc1 ZINC000514289792 560031917 /nfs/dbraw/zinc/03/19/17/560031917.db2.gz FTLMZNXUFRRTRB-SONWIMMPSA-N 1 2 450.560 3.973 40 0 biogenic,in-vitro JHABLO C[C@@]1(O)CC[N@@H+](Cc2ccc3c(c2)OCO3)[C@@H](c2cccs2)[C@@H]1NC(=O)c1ccccc1 ZINC000514289792 560031918 /nfs/dbraw/zinc/03/19/18/560031918.db2.gz FTLMZNXUFRRTRB-SONWIMMPSA-N 1 2 450.560 3.973 40 0 biogenic,in-vitro JHABLO CCOc1ccc2[nH]c(=O)c(C[N@H+](CCO)[C@@H](c3nnnn3C3CCCCC3)C(C)C)cc2c1 ZINC000008586352 562941006 /nfs/dbraw/zinc/94/10/06/562941006.db2.gz VNOPZJDLFPFULN-HSZRJFAPSA-N 1 2 468.602 3.610 40 0 JHABLO CCOc1ccc2[nH]c(=O)c(C[N@@H+](CCO)[C@@H](c3nnnn3C3CCCCC3)C(C)C)cc2c1 ZINC000008586352 562941007 /nfs/dbraw/zinc/94/10/07/562941007.db2.gz VNOPZJDLFPFULN-HSZRJFAPSA-N 1 2 468.602 3.610 40 0 JHABLO Cc1ccc(S(=O)(=O)N2CCC[C@@H]2c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)[nH+]c2)cc1 ZINC000072216411 569700508 /nfs/dbraw/zinc/70/05/08/569700508.db2.gz NUURSEIPFLPDOC-JOCHJYFZSA-N 1 2 486.638 3.973 40 0 JHABLO O=C1C[C@@H](N2CC[NH+](Cc3ccc(Cl)cc3)CC2)C(=O)N1c1ccc(Br)cc1 ZINC000100095804 569752858 /nfs/dbraw/zinc/75/28/58/569752858.db2.gz NAONEYFLWZUOHD-LJQANCHMSA-N 1 2 462.775 3.552 40 0 JHABLO O=C(CSCc1ccccc1Br)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000197752395 569873775 /nfs/dbraw/zinc/87/37/75/569873775.db2.gz YQWCNFPVBMZYBI-UHFFFAOYSA-N 1 2 463.397 3.755 40 0 JHABLO Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CC[NH+]2CCOCC2)c(C)n1Cc1ccccc1 ZINC000223137822 569900767 /nfs/dbraw/zinc/90/07/67/569900767.db2.gz DSCOUVSSNTYBOR-CLJLJLNGSA-N 1 2 475.662 3.853 40 0 JHABLO Fc1ccc(-c2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3CC[NH+]3CCOCC3)o2)cc1 ZINC000223156898 569901483 /nfs/dbraw/zinc/90/14/83/569901483.db2.gz HEGJZKUCRIBNKM-GOTSBHOMSA-N 1 2 452.555 3.785 40 0 JHABLO Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC[NH+]2CCOCC2)c(C)n1Cc1cccnc1 ZINC000223171763 569901968 /nfs/dbraw/zinc/90/19/68/569901968.db2.gz DKZUCMPBBHBXKG-UIOOFZCWSA-N 1 2 490.677 3.638 40 0 JHABLO COc1ccccc1-n1cccc1[C@@H]1[C@H](c2ccccn2)NC(=S)N1CCC[NH+]1CCOCC1 ZINC000223175182 569902084 /nfs/dbraw/zinc/90/20/84/569902084.db2.gz MGRNPJAMRHCVFL-LOSJGSFVSA-N 1 2 477.634 3.576 40 0 JHABLO Cc1cccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2CCC[NH+]2CCOCC2)c1 ZINC000223176021 569902162 /nfs/dbraw/zinc/90/21/62/569902162.db2.gz KOEPLFGINUHSFY-DQEYMECFSA-N 1 2 461.635 3.876 40 0 JHABLO CN(C)c1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC[NH+]2CCOCC2)cc1 ZINC000223194006 569902929 /nfs/dbraw/zinc/90/29/29/569902929.db2.gz QNQULEMFQHFUFZ-CLJLJLNGSA-N 1 2 490.677 3.633 40 0 JHABLO COc1cccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC[NH+]2CCOCC2)c1 ZINC000223195701 569902937 /nfs/dbraw/zinc/90/29/37/569902937.db2.gz DMVHIFSORFNZOL-JWQCQUIFSA-N 1 2 477.634 3.576 40 0 JHABLO CCC1(CC)C[C@H](NC(=O)c2ccc(CS(=O)(=O)N3CC[NH+](C)CC3)cc2)c2ccccc2O1 ZINC000224974657 569966528 /nfs/dbraw/zinc/96/65/28/569966528.db2.gz RRWUNLPCVLTQTH-QHCPKHFHSA-N 1 2 485.650 3.576 40 0 JHABLO COc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000408701800 570022127 /nfs/dbraw/zinc/02/21/27/570022127.db2.gz FYZYYVFCDVTORW-FMIVXFBMSA-N 1 2 497.661 3.731 40 0 JHABLO COc1ccc([C@H]2C(C(=O)Nc3ccccc3C)=C(C)[NH+]=C3N=CNN32)cc1Br ZINC000408704429 570024008 /nfs/dbraw/zinc/02/40/08/570024008.db2.gz NHLCJQQUGHMRJR-IBGZPJMESA-N 1 2 454.328 3.938 40 0 JHABLO CC[C@@H](c1nnnn1C(C)(C)CC)[N@@H+](Cc1cc2cc3c(cc2[nH]c1=O)OCO3)C[C@H]1CCCO1 ZINC000253500418 570101803 /nfs/dbraw/zinc/10/18/03/570101803.db2.gz LHHPGJDXZWUQNR-QUCCMNQESA-N 1 2 482.585 3.933 40 0 JHABLO CC[C@@H](c1nnnn1C(C)(C)CC)[N@H+](Cc1cc2cc3c(cc2[nH]c1=O)OCO3)C[C@H]1CCCO1 ZINC000253500418 570101805 /nfs/dbraw/zinc/10/18/05/570101805.db2.gz LHHPGJDXZWUQNR-QUCCMNQESA-N 1 2 482.585 3.933 40 0 JHABLO O=C(c1cccc(Cn2cc[nH+]c2)c1)N1C[C@@H](c2cc(F)cc(F)c2)[C@]2(C1)CCCCC(=O)N2 ZINC000257202578 570108583 /nfs/dbraw/zinc/10/85/83/570108583.db2.gz AMLRRLSITIAZOP-JYFHCDHNSA-N 1 2 464.516 3.878 40 0 JHABLO CCc1[nH+]c2ccccc2n1CC(=O)N1CCC[C@H](Cc2cc(Nc3cc(C)[nH]n3)nc(C)n2)C1 ZINC000257204482 570109159 /nfs/dbraw/zinc/10/91/59/570109159.db2.gz AUULKUKJJWAMOH-LJQANCHMSA-N 1 2 472.597 3.954 40 0 JHABLO COc1ccc(C(=O)N2CCOC[C@@H](Cc3ccc4[nH+]ccn4c3)C2)cc1NCc1cccnc1 ZINC000257238979 570119895 /nfs/dbraw/zinc/11/98/95/570119895.db2.gz HNJCWXRCKRECEL-QFIPXVFZSA-N 1 2 471.561 3.681 40 0 JHABLO CN(C)c1cc([C@@H]2CCCN(C(=O)C3(C)CCN(C(=O)Cc4ccccc4F)CC3)C2)cc[nH+]1 ZINC000257319187 570144204 /nfs/dbraw/zinc/14/42/04/570144204.db2.gz VRDSMENWGSJEQA-JOCHJYFZSA-N 1 2 466.601 3.864 40 0 JHABLO CN(C)c1cc([C@@H]2CCCN(C(=O)C3(C)CCN(C(=O)Cc4cccc(F)c4)CC3)C2)cc[nH+]1 ZINC000257322074 570145072 /nfs/dbraw/zinc/14/50/72/570145072.db2.gz WEMKRDPSDHPRQA-JOCHJYFZSA-N 1 2 466.601 3.864 40 0 JHABLO O=C(c1ccccc1OCC[NH+]1CCOCC1)N1CCC[C@@H]1c1ccnc(-c2ccccc2)n1 ZINC000257330422 570147702 /nfs/dbraw/zinc/14/77/02/570147702.db2.gz XOHZUZMOKAVYNX-XMMPIXPASA-N 1 2 458.562 3.832 40 0 JHABLO O=C(c1ccccc1Cn1cc[nH+]c1)N1CCC[C@]2(CN(CCc3ccccc3)C(=O)O2)CC1 ZINC000257338309 570150047 /nfs/dbraw/zinc/15/00/47/570150047.db2.gz YWVQSXQTKKSCGQ-HHHXNRCGSA-N 1 2 458.562 3.991 40 0 JHABLO CCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@H]2c1cc(Cl)ccc1OC(C)=O ZINC000261361985 570167409 /nfs/dbraw/zinc/16/74/09/570167409.db2.gz BQISOHQRRUCPEP-OAQYLSRUSA-O 1 2 471.946 3.741 40 0 JHABLO CCOc1ccc([C@H]2N(C(C)=O)c3ccccc3-c3c(=O)[nH]c(SCC)n[n+]32)cc1OC ZINC000261362291 570167547 /nfs/dbraw/zinc/16/75/47/570167547.db2.gz CRABELXHTRGALR-QFIPXVFZSA-O 1 2 453.544 3.569 40 0 JHABLO CCOc1ccc([C@H]2N(C(C)=O)c3ccccc3-c3c(=O)[nH]c(SCC)n[n+]32)cc1OCC ZINC000261363165 570167881 /nfs/dbraw/zinc/16/78/81/570167881.db2.gz PPNDMVPUVMAXPR-QHCPKHFHSA-O 1 2 467.571 3.960 40 0 JHABLO COc1cc([C@H]2Nc3ccc(Br)cc3-c3c(=O)[nH]c(SC)n[n+]32)cc(Cl)c1O ZINC000261363294 570167934 /nfs/dbraw/zinc/16/79/34/570167934.db2.gz QYRIYGRJZQAGHC-INIZCTEOSA-O 1 2 482.767 3.961 40 0 JHABLO CCC(=O)N1c2ccccc2-c2c(=O)[nH]c(SC)n[n+]2[C@@H]1c1cccc(Br)c1 ZINC000261363546 570167993 /nfs/dbraw/zinc/16/79/93/570167993.db2.gz HLLHQJNFFNTUSV-LJQANCHMSA-O 1 2 458.361 3.925 40 0 JHABLO COc1ccc([C@H]2N(C(C)=O)c3ccccc3-c3c(=O)[nH]c(SC)n[n+]32)cc1Br ZINC000261364417 570168568 /nfs/dbraw/zinc/16/85/68/570168568.db2.gz LIYLSLOTMCAOBI-IBGZPJMESA-O 1 2 474.360 3.543 40 0 JHABLO CCCC(=O)N1c2ccccc2-c2c(=O)[nH]c(SC)n[n+]2[C@H]1c1ccc(OC)cc1OC ZINC000261365227 570168862 /nfs/dbraw/zinc/16/88/62/570168862.db2.gz QVBBSYMVBXWXDE-QFIPXVFZSA-O 1 2 453.544 3.569 40 0 JHABLO CCOc1ccc(S(=O)(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1NC(=O)c1ccccc1F ZINC000408561102 570200768 /nfs/dbraw/zinc/20/07/68/570200768.db2.gz QQRPJCLWVQLTOM-UHFFFAOYSA-N 1 2 497.592 3.983 40 0 JHABLO CCOc1ccc2[nH]c(=O)c([C@@H](c3nnnn3CCc3ccccc3)[N@@H+]3CCC[C@H](C)C3)cc2c1 ZINC000001328868 194088571 /nfs/dbraw/zinc/08/85/71/194088571.db2.gz KQUWBCPTKLENEX-DFBJGRDBSA-N 1 2 472.593 3.977 40 0 JHABLO CCOc1ccc2[nH]c(=O)c([C@@H](c3nnnn3CCc3ccccc3)[N@H+]3CCC[C@H](C)C3)cc2c1 ZINC000001328868 194088574 /nfs/dbraw/zinc/08/85/74/194088574.db2.gz KQUWBCPTKLENEX-DFBJGRDBSA-N 1 2 472.593 3.977 40 0 JHABLO O=c1[nH]c2cc3c(cc2cc1C[N@H+](Cc1nnnn1C1CCCCC1)C1CCCC1)OCCO3 ZINC000001373800 194107714 /nfs/dbraw/zinc/10/77/14/194107714.db2.gz QOHQWDDWBWXLJT-UHFFFAOYSA-N 1 2 464.570 3.736 40 0 JHABLO O=c1[nH]c2cc3c(cc2cc1C[N@@H+](Cc1nnnn1C1CCCCC1)C1CCCC1)OCCO3 ZINC000001373800 194107718 /nfs/dbraw/zinc/10/77/18/194107718.db2.gz QOHQWDDWBWXLJT-UHFFFAOYSA-N 1 2 464.570 3.736 40 0 JHABLO COc1ccc(-n2ncc3c2nc[nH+]c3SCC(=O)Nc2ccc(OC)c(OC)c2)cc1 ZINC000001357371 194101286 /nfs/dbraw/zinc/10/12/86/194101286.db2.gz GRWOHKGQBJACKF-UHFFFAOYSA-N 1 2 451.508 3.572 40 0 JHABLO CC[C@H](c1nnnn1C1CCCC1)[N@@H+](Cc1cc2cc(OC)ccc2[nH]c1=O)C[C@@H]1CCCO1 ZINC000057640900 195354729 /nfs/dbraw/zinc/35/47/29/195354729.db2.gz AHFUGTPDJLAUKX-JTHBVZDNSA-N 1 2 466.586 3.771 40 0 JHABLO CC[C@H](c1nnnn1C1CCCC1)[N@H+](Cc1cc2cc(OC)ccc2[nH]c1=O)C[C@@H]1CCCO1 ZINC000057640900 195354732 /nfs/dbraw/zinc/35/47/32/195354732.db2.gz AHFUGTPDJLAUKX-JTHBVZDNSA-N 1 2 466.586 3.771 40 0 JHABLO CCC[C@@H](c1nnnn1Cc1ccco1)[N@@H+](Cc1cc2cccc(C)c2[nH]c1=O)C[C@@H]1CCCO1 ZINC000057653606 195356805 /nfs/dbraw/zinc/35/68/05/195356805.db2.gz BYTNJSRBXFOZCB-GMAHTHKFSA-N 1 2 476.581 3.987 40 0 JHABLO CCC[C@@H](c1nnnn1Cc1ccco1)[N@H+](Cc1cc2cccc(C)c2[nH]c1=O)C[C@@H]1CCCO1 ZINC000057653606 195356808 /nfs/dbraw/zinc/35/68/08/195356808.db2.gz BYTNJSRBXFOZCB-GMAHTHKFSA-N 1 2 476.581 3.987 40 0 JHABLO CCOc1ccc(C(=O)NC(=S)Nc2ccc(C[NH+]3CCOCC3)cc2)cc1Br ZINC000016692134 520902556 /nfs/dbraw/zinc/90/25/56/520902556.db2.gz ZSECXGDUHLWDOY-UHFFFAOYSA-N 1 2 478.412 3.807 40 0 JHABLO CCC[C@]1(C(=O)OCC)[NH2+][C@@H](c2cccs2)[C@H]2C(=O)N(c3ccc(OCC)cc3)C(=O)[C@@H]21 ZINC000012497643 521306106 /nfs/dbraw/zinc/30/61/06/521306106.db2.gz IGDYNVPJCWRFIT-VKDGWMQASA-N 1 2 456.564 3.699 40 0 JHABLO CCc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C[C@@H]3CCCO3)[N@H+](CC)Cc3ccccc3)cc2c1 ZINC000019522973 524058252 /nfs/dbraw/zinc/05/82/52/524058252.db2.gz GATRJMKVHUYZRO-DHLKQENFSA-N 1 2 472.593 3.868 40 0 JHABLO CCc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C[C@@H]3CCCO3)[N@@H+](CC)Cc3ccccc3)cc2c1 ZINC000019522973 524058254 /nfs/dbraw/zinc/05/82/54/524058254.db2.gz GATRJMKVHUYZRO-DHLKQENFSA-N 1 2 472.593 3.868 40 0 JHABLO Cc1ccc(N(CC(=O)NCc2ccccc2-n2cc[nH+]c2)S(=O)(=O)c2ccccc2)cc1 ZINC000020455660 524894160 /nfs/dbraw/zinc/89/41/60/524894160.db2.gz HPRMHJAVEBTJEO-UHFFFAOYSA-N 1 2 460.559 3.692 40 0 JHABLO Cc1ccccc1N(CC(=O)NCc1ccc(-n2cc[nH+]c2)cc1)S(=O)(=O)c1ccccc1 ZINC000022427820 525216697 /nfs/dbraw/zinc/21/66/97/525216697.db2.gz IBPMNVCOAMRHAG-UHFFFAOYSA-N 1 2 460.559 3.692 40 0 JHABLO COc1ccc2[nH]c(=O)c([C@H](c3nnnn3Cc3ccc(F)cc3)[N@@H+]3CCC[C@H](C)C3)cc2c1 ZINC000000910878 553841212 /nfs/dbraw/zinc/84/12/12/553841212.db2.gz YGCNNMGUUPFIAT-QMHKHESXSA-N 1 2 462.529 3.532 40 0 JHABLO COc1ccc2[nH]c(=O)c([C@H](c3nnnn3Cc3ccc(F)cc3)[N@H+]3CCC[C@H](C)C3)cc2c1 ZINC000000910878 553841214 /nfs/dbraw/zinc/84/12/14/553841214.db2.gz YGCNNMGUUPFIAT-QMHKHESXSA-N 1 2 462.529 3.532 40 0 JHABLO COc1ccc(Cn2nnnc2[C@@H](c2cc3cccc(C)c3[nH]c2=O)[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000006444114 554538329 /nfs/dbraw/zinc/53/83/29/554538329.db2.gz IVUFSLUNXILSPM-BXKMTCNYSA-N 1 2 458.566 3.701 40 0 JHABLO COc1ccc(Cn2nnnc2[C@@H](c2cc3cccc(C)c3[nH]c2=O)[N@H+]2CCC[C@H](C)C2)cc1 ZINC000006444114 554538332 /nfs/dbraw/zinc/53/83/32/554538332.db2.gz IVUFSLUNXILSPM-BXKMTCNYSA-N 1 2 458.566 3.701 40 0 JHABLO CCOC(=O)Cn1nnnc1[C@H](CC)[N@H+](Cc1ccc(C)cc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013494773 555406387 /nfs/dbraw/zinc/40/63/87/555406387.db2.gz XJLHOXMXSQWGKH-QHCPKHFHSA-N 1 2 488.592 3.848 40 0 JHABLO CCOC(=O)Cn1nnnc1[C@H](CC)[N@@H+](Cc1ccc(C)cc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013494773 555406390 /nfs/dbraw/zinc/40/63/90/555406390.db2.gz XJLHOXMXSQWGKH-QHCPKHFHSA-N 1 2 488.592 3.848 40 0 JHABLO CCOC(=O)Cn1nnnc1[C@H](C(C)C)[N@H+](Cc1ccccc1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000013498551 555422100 /nfs/dbraw/zinc/42/21/00/555422100.db2.gz VPOUBPUVBNUTGQ-VWLOTQADSA-N 1 2 488.592 3.786 40 0 JHABLO CCOC(=O)Cn1nnnc1[C@H](C(C)C)[N@@H+](Cc1ccccc1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000013498551 555422102 /nfs/dbraw/zinc/42/21/02/555422102.db2.gz VPOUBPUVBNUTGQ-VWLOTQADSA-N 1 2 488.592 3.786 40 0 JHABLO CCOC(=O)Cn1nnnc1[C@@H](C(C)C)[N@H+](Cc1ccco1)Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000013499144 555428367 /nfs/dbraw/zinc/42/83/67/555428367.db2.gz HODNRQGUGRDCLC-XMMPIXPASA-N 1 2 492.580 3.687 40 0 JHABLO CCOC(=O)Cn1nnnc1[C@@H](C(C)C)[N@@H+](Cc1ccco1)Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000013499144 555428369 /nfs/dbraw/zinc/42/83/69/555428369.db2.gz HODNRQGUGRDCLC-XMMPIXPASA-N 1 2 492.580 3.687 40 0 JHABLO CCC[C@@H](c1nnnn1CC(=O)OCC)[N@H+](Cc1cccs1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013500955 555445529 /nfs/dbraw/zinc/44/55/29/555445529.db2.gz NOOUAPNSCCNUOR-NRFANRHFSA-N 1 2 494.621 3.991 40 0 JHABLO CCC[C@@H](c1nnnn1CC(=O)OCC)[N@@H+](Cc1cccs1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013500955 555445532 /nfs/dbraw/zinc/44/55/32/555445532.db2.gz NOOUAPNSCCNUOR-NRFANRHFSA-N 1 2 494.621 3.991 40 0 JHABLO CCC[C@H](c1nnnn1C(C)(C)CC)[N@H+](CCCO)Cc1cc2cc(OCC)ccc2[nH]c1=O ZINC000013501054 555446703 /nfs/dbraw/zinc/44/67/03/555446703.db2.gz BKYKGHNSVGDSOZ-JOCHJYFZSA-N 1 2 470.618 3.784 40 0 JHABLO CCC[C@H](c1nnnn1C(C)(C)CC)[N@@H+](CCCO)Cc1cc2cc(OCC)ccc2[nH]c1=O ZINC000013501054 555446705 /nfs/dbraw/zinc/44/67/05/555446705.db2.gz BKYKGHNSVGDSOZ-JOCHJYFZSA-N 1 2 470.618 3.784 40 0 JHABLO O=C(c1ccccc1)N1CC[NH+](C[C@H](O)COc2ccc3ccccc3c2Br)CC1 ZINC000019913349 555539173 /nfs/dbraw/zinc/53/91/73/555539173.db2.gz BZTWSIFQUFCPJG-FQEVSTJZSA-N 1 2 469.379 3.800 40 0 JHABLO CC[C@H](C(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1)N(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000013714973 555592572 /nfs/dbraw/zinc/59/25/72/555592572.db2.gz LSUMFFIKNIXMCF-BWAMLYQTSA-N 1 2 476.042 3.742 40 0 JHABLO CCOc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C[C@@H]3CCCO3)[N@H+](CC)Cc3ccccc3)cc2c1 ZINC000020080424 555629449 /nfs/dbraw/zinc/62/94/49/555629449.db2.gz IHAIHTGVOVNSMU-DHLKQENFSA-N 1 2 488.592 3.704 40 0 JHABLO CCOc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C[C@@H]3CCCO3)[N@@H+](CC)Cc3ccccc3)cc2c1 ZINC000020080424 555629452 /nfs/dbraw/zinc/62/94/52/555629452.db2.gz IHAIHTGVOVNSMU-DHLKQENFSA-N 1 2 488.592 3.704 40 0 JHABLO CC[C@@H](c1nnnn1C(C)(C)CC)[N@H+](CCCN1CCOCC1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013858315 555636713 /nfs/dbraw/zinc/63/67/13/555636713.db2.gz YJJBWOVORJHYDT-QHCPKHFHSA-N 1 2 495.672 3.644 40 0 JHABLO CC[C@@H](c1nnnn1C(C)(C)CC)[N@@H+](CCCN1CCOCC1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013858315 555636715 /nfs/dbraw/zinc/63/67/15/555636715.db2.gz YJJBWOVORJHYDT-QHCPKHFHSA-N 1 2 495.672 3.644 40 0 JHABLO O=C(C1CCN(S(=O)(=O)CCCc2ccccc2)CC1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000026111736 556243179 /nfs/dbraw/zinc/24/31/79/556243179.db2.gz OPSLMRXXSZWMQH-NTUHNPAUSA-N 1 2 495.689 3.519 40 0 JHABLO Cc1cc(C[C@H](O)CN2CC[NH+](C[C@H](O)COc3ccc(Cl)c(C)c3)CC2)ccc1Cl ZINC000027530964 556291360 /nfs/dbraw/zinc/29/13/60/556291360.db2.gz ZMUXPASZAVFSHP-SFTDATJTSA-N 1 2 467.437 3.571 40 0 JHABLO c1csc([C@@H](c2nnnn2CCc2ccccc2)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)c1 ZINC000019371470 556347159 /nfs/dbraw/zinc/34/71/59/556347159.db2.gz YVSYLHWDHCXCTK-VWLOTQADSA-N 1 2 488.617 3.613 40 0 JHABLO CCC(C)(C)n1nnnc1[C@H](c1cc2ccc(OC)cc2[nH]c1=O)[N@@H+]1CCc2ccccc2C1 ZINC000019499628 556349351 /nfs/dbraw/zinc/34/93/51/556349351.db2.gz WWWIBCLGMNAXSH-QHCPKHFHSA-N 1 2 458.566 3.816 40 0 JHABLO CCC(C)(C)n1nnnc1[C@H](c1cc2ccc(OC)cc2[nH]c1=O)[N@H+]1CCc2ccccc2C1 ZINC000019499628 556349355 /nfs/dbraw/zinc/34/93/55/556349355.db2.gz WWWIBCLGMNAXSH-QHCPKHFHSA-N 1 2 458.566 3.816 40 0 JHABLO CC[N@H+](Cc1ccccc1)[C@@H](c1nnnn1C(C)(C)C)c1cc2cc(OC)c(OC)cc2[nH]c1=O ZINC000019526609 556351219 /nfs/dbraw/zinc/35/12/19/556351219.db2.gz DOXYUEBLCAEXBG-HSZRJFAPSA-N 1 2 476.581 3.898 40 0 JHABLO CC[N@@H+](Cc1ccccc1)[C@@H](c1nnnn1C(C)(C)C)c1cc2cc(OC)c(OC)cc2[nH]c1=O ZINC000019526609 556351220 /nfs/dbraw/zinc/35/12/20/556351220.db2.gz DOXYUEBLCAEXBG-HSZRJFAPSA-N 1 2 476.581 3.898 40 0 JHABLO Cc1cc(C)c2[nH]c(=O)c(C[N@H+](CCc3ccccc3)Cc3nnnn3C[C@H]3CCCO3)cc2c1 ZINC000019568274 556354873 /nfs/dbraw/zinc/35/48/73/556354873.db2.gz WOBBLJLURYHWMA-XMMPIXPASA-N 1 2 472.593 3.555 40 0 JHABLO Cc1cc(C)c2[nH]c(=O)c(C[N@@H+](CCc3ccccc3)Cc3nnnn3C[C@H]3CCCO3)cc2c1 ZINC000019568274 556354876 /nfs/dbraw/zinc/35/48/76/556354876.db2.gz WOBBLJLURYHWMA-XMMPIXPASA-N 1 2 472.593 3.555 40 0 JHABLO O=C(C[C@H]1C(=O)N(CCCn2cc[nH+]c2)c2nc3ccccc3n21)Nc1ccc(F)c(F)c1 ZINC000019819491 556387964 /nfs/dbraw/zinc/38/79/64/556387964.db2.gz RGDGJZFFTHMINU-FQEVSTJZSA-N 1 2 450.449 3.518 40 0 JHABLO Nc1nc(N2CCCCC2)[nH+]c2c1[C@@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)CC(=O)N2 ZINC000019819909 556388549 /nfs/dbraw/zinc/38/85/49/556388549.db2.gz LSTZOARMSKAJED-NSHDSACASA-N 1 2 468.867 3.786 40 0 JHABLO CCOC(=O)[C@@H]1[C@@H](c2cc(OC)c(OC)c(OC)c2)c2cc3c(cc2O[C@@]1(C)[NH+]1CCCC1)OCO3 ZINC000031430171 556396801 /nfs/dbraw/zinc/39/68/01/556396801.db2.gz AYIQTEGLGSNULP-NLJOTIRTSA-N 1 2 499.560 3.957 40 0 JHABLO CCOC(=O)[C@@H]1[C@H](c2cc(OC)c(OC)c(OC)c2)c2cc3c(cc2O[C@@]1(C)[NH+]1CCCC1)OCO3 ZINC000031430176 556396827 /nfs/dbraw/zinc/39/68/27/556396827.db2.gz AYIQTEGLGSNULP-ONBPZOJHSA-N 1 2 499.560 3.957 40 0 JHABLO CCOC(=O)[C@H]1[C@H](c2cccc(OC)c2O)c2cc3c(cc2O[C@@]1(C)[NH+]1CCCC1)OCO3 ZINC000031772209 556402961 /nfs/dbraw/zinc/40/29/61/556402961.db2.gz WZSATTMCUDKXNP-TZBSWOFLSA-N 1 2 455.507 3.645 40 0 JHABLO COc1ccc2cc([C@@H](c3nnnn3CCc3ccccc3)[N@@H+]3CCC[C@H](C)C3)c(=O)[nH]c2c1 ZINC000008582845 562940000 /nfs/dbraw/zinc/94/00/00/562940000.db2.gz BEWOHCJRIIRPBQ-UUOWRZLLSA-N 1 2 458.566 3.587 40 0 JHABLO COc1ccc2cc([C@@H](c3nnnn3CCc3ccccc3)[N@H+]3CCC[C@H](C)C3)c(=O)[nH]c2c1 ZINC000008582845 562940001 /nfs/dbraw/zinc/94/00/01/562940001.db2.gz BEWOHCJRIIRPBQ-UUOWRZLLSA-N 1 2 458.566 3.587 40 0 JHABLO COc1ccc(Cn2nnnc2C[N@H+](Cc2cc3cc(C)ccc3[nH]c2=O)C2CCCC2)cc1 ZINC000008586255 562940915 /nfs/dbraw/zinc/94/09/15/562940915.db2.gz YVPHSJUQTKQEGB-UHFFFAOYSA-N 1 2 458.566 3.825 40 0 JHABLO COc1ccc(Cn2nnnc2C[N@@H+](Cc2cc3cc(C)ccc3[nH]c2=O)C2CCCC2)cc1 ZINC000008586255 562940917 /nfs/dbraw/zinc/94/09/17/562940917.db2.gz YVPHSJUQTKQEGB-UHFFFAOYSA-N 1 2 458.566 3.825 40 0 JHABLO CC[C@@H](c1nnnn1C[C@H]1CCCO1)[N@H+](Cc1cccs1)Cc1cc2ccc(OC)cc2[nH]c1=O ZINC000033937007 569638502 /nfs/dbraw/zinc/63/85/02/569638502.db2.gz PAKOTLLFRHYDHD-OFNKIYASSA-N 1 2 494.621 3.917 40 0 JHABLO CC[C@@H](c1nnnn1C[C@H]1CCCO1)[N@@H+](Cc1cccs1)Cc1cc2ccc(OC)cc2[nH]c1=O ZINC000033937007 569638503 /nfs/dbraw/zinc/63/85/03/569638503.db2.gz PAKOTLLFRHYDHD-OFNKIYASSA-N 1 2 494.621 3.917 40 0 JHABLO Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NCc3ccc(-n4cc[nH+]c4)cc3)cc2)cc1 ZINC000038754597 569806863 /nfs/dbraw/zinc/80/68/63/569806863.db2.gz CUHASVKFOPXYLS-UHFFFAOYSA-N 1 2 460.559 3.936 40 0 JHABLO COCc1nn2c(ncc(C(=O)N3CC[NH+](Cc4ccccc4)CC3)c2C)c1-c1ccccc1 ZINC000038829726 569808419 /nfs/dbraw/zinc/80/84/19/569808419.db2.gz BVLWQYSUNOINSP-UHFFFAOYSA-N 1 2 455.562 3.809 40 0 JHABLO CCN(CC(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1)S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000039986053 569813147 /nfs/dbraw/zinc/81/31/47/569813147.db2.gz XVWHBNQEGQPWIF-RMKNXTFCSA-N 1 2 496.460 3.862 40 0 JHABLO CCOC(=O)c1c2c(sc1NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](C(=O)OCC)C1)C[C@@H](C)CC2 ZINC000108929252 569859918 /nfs/dbraw/zinc/85/99/18/569859918.db2.gz SBDAJXJFPZMLAY-ARFHVFGLSA-N 1 2 450.601 3.652 40 0 JHABLO CCOC(=O)c1c2c(sc1NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](C(=O)OCC)C1)C[C@@H](C)CC2 ZINC000108929252 569859919 /nfs/dbraw/zinc/85/99/19/569859919.db2.gz SBDAJXJFPZMLAY-ARFHVFGLSA-N 1 2 450.601 3.652 40 0 JHABLO Cc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000216367359 569878512 /nfs/dbraw/zinc/87/85/12/569878512.db2.gz RDNXIVIWYIJIRL-UHFFFAOYSA-N 1 2 452.580 3.675 40 0 JHABLO CCCC(=O)N(Cc1ccc(Cl)cc1)[C@H](Cc1ccccc1)C(=O)NCC[NH+]1CCOCC1 ZINC000223129812 569900365 /nfs/dbraw/zinc/90/03/65/569900365.db2.gz VTZRFZZHFXVCSA-XMMPIXPASA-N 1 2 472.029 3.528 40 0 JHABLO Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CC[NH+]2CCOCC2)c(C)n1Cc1ccccc1 ZINC000223137881 569900781 /nfs/dbraw/zinc/90/07/81/569900781.db2.gz DSCOUVSSNTYBOR-FTJBHMTQSA-N 1 2 475.662 3.853 40 0 JHABLO Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC[NH+]2CCOCC2)c(C)n1-c1nccs1 ZINC000223172176 569901944 /nfs/dbraw/zinc/90/19/44/569901944.db2.gz HVGUCQPUNGIITK-YADHBBJMSA-N 1 2 482.679 3.640 40 0 JHABLO Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC[NH+]2CCOCC2)c(C)n1Cc1ccncc1 ZINC000223171973 569901988 /nfs/dbraw/zinc/90/19/88/569901988.db2.gz MNCVPHJIPHXEGL-IZZNHLLZSA-N 1 2 490.677 3.638 40 0 JHABLO Cc1ccc(NC(=O)Cc2ccc(-c3ccccc3)cc2)cc1S(=O)(=O)N1CC[NH+](C)CC1 ZINC000224980255 569967091 /nfs/dbraw/zinc/96/70/91/569967091.db2.gz YHJJCDPYIFEEND-UHFFFAOYSA-N 1 2 463.603 3.779 40 0 JHABLO O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000408627018 569980922 /nfs/dbraw/zinc/98/09/22/569980922.db2.gz XJMCTHFCRVEMSJ-JXMROGBWSA-N 1 2 493.604 3.879 40 0 JHABLO COc1ccc(C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)cc1S(=O)(=O)NC1CCCCC1 ZINC000408675115 570009987 /nfs/dbraw/zinc/00/99/87/570009987.db2.gz GNHSPEXGUURITM-DHZHZOJOSA-N 1 2 497.661 3.777 40 0 JHABLO COc1ccc([C@@H]2C(C(=O)Nc3ccccc3C)=C(C)[NH+]=C3N=CNN32)cc1Br ZINC000408704430 570024027 /nfs/dbraw/zinc/02/40/27/570024027.db2.gz NHLCJQQUGHMRJR-LJQANCHMSA-N 1 2 454.328 3.938 40 0 JHABLO C[C@]1(O)CC[N@H+](CC(=O)Nc2ccc(Oc3cccnc3)cc2)C[C@@H]1Oc1cccc(F)c1 ZINC000257225347 570115702 /nfs/dbraw/zinc/11/57/02/570115702.db2.gz FFVGASGWMJAVSP-ZCYQVOJMSA-N 1 2 451.498 3.856 40 0 JHABLO C[C@]1(O)CC[N@@H+](CC(=O)Nc2ccc(Oc3cccnc3)cc2)C[C@@H]1Oc1cccc(F)c1 ZINC000257225347 570115704 /nfs/dbraw/zinc/11/57/04/570115704.db2.gz FFVGASGWMJAVSP-ZCYQVOJMSA-N 1 2 451.498 3.856 40 0 JHABLO O=C(c1ccccc1OCC[NH+]1CCOCC1)N1CCC[C@@H](Cc2ccc3cc[nH]c3n2)CC1 ZINC000257244692 570121451 /nfs/dbraw/zinc/12/14/51/570121451.db2.gz IMJNNWONOKPOJV-OAQYLSRUSA-N 1 2 462.594 3.759 40 0 JHABLO CCOc1cccc2c1OC(C)(C)[C@H]1CC3(CC[NH+](CC(=O)Nc4nncs4)CC3)CO[C@H]21 ZINC000257248556 570122729 /nfs/dbraw/zinc/12/27/29/570122729.db2.gz JEEUASWGFULPJQ-FXAWDEMLSA-N 1 2 472.611 3.906 40 0 JHABLO Cc1noc(C)c1COc1cccc(C(=O)N2CCOC[C@@H](Cc3ccc4[nH+]ccn4c3)C2)c1 ZINC000257248363 570122774 /nfs/dbraw/zinc/12/27/74/570122774.db2.gz JDIHVALVQGJLBD-NRFANRHFSA-N 1 2 460.534 3.849 40 0 JHABLO O=C(c1ccccc1C[NH+]1CCOCC1)N1CCC2(C[C@H](Oc3ccc(F)cc3)CO2)CC1 ZINC000257249165 570122868 /nfs/dbraw/zinc/12/28/68/570122868.db2.gz JHCDZRSOUCIIRM-QHCPKHFHSA-N 1 2 454.542 3.501 40 0 JHABLO O=C(c1ccccc1C[NH+]1CCOCC1)N1CCC2(C[C@@H](Oc3ccc(F)cc3)CO2)CC1 ZINC000257249164 570122925 /nfs/dbraw/zinc/12/29/25/570122925.db2.gz JHCDZRSOUCIIRM-HSZRJFAPSA-N 1 2 454.542 3.501 40 0 JHABLO Cc1cc(N2CC[C@@](O)(CN(C)C(=O)c3ccc4[nH]c(C(C)C)nc4c3)C2)c2cnccc2[nH+]1 ZINC000257267592 570128832 /nfs/dbraw/zinc/12/88/32/570128832.db2.gz MHZJQGAYGACHSZ-AREMUKBSSA-N 1 2 458.566 3.651 40 0 JHABLO C[NH+](C)Cc1nnnn1-c1cccc(C(=O)N2CCC[C@@H]2c2ccnc(-c3cccc(Cl)c3)n2)c1 ZINC000257274036 570130933 /nfs/dbraw/zinc/13/09/33/570130933.db2.gz NJGQLCAPSCRJFM-JOCHJYFZSA-N 1 2 488.983 3.812 40 0 JHABLO O=C(N1CCOC[C@H](Cc2ccc3[nH+]ccn3c2)C1)C1(Cc2ccccc2F)CCOCC1 ZINC000257313782 570142677 /nfs/dbraw/zinc/14/26/77/570142677.db2.gz UUCWWCSYUIRZJT-OAQYLSRUSA-N 1 2 451.542 3.530 40 0 JHABLO O=C(c1ccccc1Cn1cc[nH+]c1)N1CCC[C@@]2(CN(CCc3ccccc3)C(=O)O2)CC1 ZINC000257338310 570150030 /nfs/dbraw/zinc/15/00/30/570150030.db2.gz YWVQSXQTKKSCGQ-MHZLTWQESA-N 1 2 458.562 3.991 40 0 JHABLO CCOc1ccc([C@@H]2N(C(C)=O)c3ccccc3-c3c(=O)[nH]c(SCC)n[n+]32)cc1OC ZINC000261362290 570167536 /nfs/dbraw/zinc/16/75/36/570167536.db2.gz CRABELXHTRGALR-JOCHJYFZSA-O 1 2 453.544 3.569 40 0 JHABLO CCCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@H]2c1cc(OC)c(OC)cc1OC ZINC000261362346 570167551 /nfs/dbraw/zinc/16/75/51/570167551.db2.gz IKWMMLTUHHQBJQ-XMMPIXPASA-O 1 2 497.597 3.968 40 0 JHABLO CCCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@H]2c1cccc(OC)c1OC ZINC000261362511 570167678 /nfs/dbraw/zinc/16/76/78/570167678.db2.gz DOHHZMYQGKYOCU-HSZRJFAPSA-O 1 2 467.571 3.960 40 0 JHABLO CCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@H]2c1cc(OC)c(OC)cc1Cl ZINC000261364259 570168442 /nfs/dbraw/zinc/16/84/42/570168442.db2.gz KGINIBALDZCUAU-OAQYLSRUSA-O 1 2 473.962 3.833 40 0 JHABLO COc1ccc([C@@H]2N(C(C)=O)c3ccccc3-c3c(=O)[nH]c(SC)n[n+]32)cc1Br ZINC000261364418 570168616 /nfs/dbraw/zinc/16/86/16/570168616.db2.gz LIYLSLOTMCAOBI-LJQANCHMSA-O 1 2 474.360 3.543 40 0 JHABLO OCCNc1nc(Nc2ccc(Br)c(C(F)(F)F)c2)cc(-c2ccccc2)[nH+]1 ZINC000328956996 570179229 /nfs/dbraw/zinc/17/92/29/570179229.db2.gz AIHMBJMXGYCDPO-UHFFFAOYSA-N 1 2 453.262 3.917 40 0 JHABLO CC(C)[C@H](CO)Nc1nc(Nc2ccc(I)cc2F)cc(C2CC2)[nH+]1 ZINC000329024932 570182156 /nfs/dbraw/zinc/18/21/56/570182156.db2.gz PDQRQDVQOPTMEJ-INIZCTEOSA-N 1 2 456.303 4.270 40 0 JHABLO Cc1ccc(C)c2[nH]c(=O)c(CN(CC[NH+]3CCOCC3)C(=O)Nc3ccc(F)cc3)cc12 ZINC000001371641 194105809 /nfs/dbraw/zinc/10/58/09/194105809.db2.gz SKTQLCSOCMDNEI-UHFFFAOYSA-N 1 2 452.530 3.650 40 0 JHABLO COc1ccc2cc(C[N@H+](Cc3nnnn3Cc3ccc(F)cc3)C3CCCC3)c(=O)[nH]c2c1 ZINC000001372971 194106751 /nfs/dbraw/zinc/10/67/51/194106751.db2.gz OCGYSTVLKROLRJ-UHFFFAOYSA-N 1 2 462.529 3.655 40 0 JHABLO COc1ccc2cc(C[N@@H+](Cc3nnnn3Cc3ccc(F)cc3)C3CCCC3)c(=O)[nH]c2c1 ZINC000001372971 194106754 /nfs/dbraw/zinc/10/67/54/194106754.db2.gz OCGYSTVLKROLRJ-UHFFFAOYSA-N 1 2 462.529 3.655 40 0 JHABLO CCC(C)(C)n1nnnc1C[N@H+](CCc1ccccc1)Cc1cc2cc(OC)c(OC)cc2[nH]c1=O ZINC000001373622 194107746 /nfs/dbraw/zinc/10/77/46/194107746.db2.gz CBCXGBVVLYQYLR-UHFFFAOYSA-N 1 2 490.608 3.922 40 0 JHABLO CCC(C)(C)n1nnnc1C[N@@H+](CCc1ccccc1)Cc1cc2cc(OC)c(OC)cc2[nH]c1=O ZINC000001373622 194107747 /nfs/dbraw/zinc/10/77/47/194107747.db2.gz CBCXGBVVLYQYLR-UHFFFAOYSA-N 1 2 490.608 3.922 40 0 JHABLO COc1ccc(Cn2nnnc2[C@@H](c2cc3ccc(C)cc3[nH]c2=O)[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000012711136 195095234 /nfs/dbraw/zinc/09/52/34/195095234.db2.gz AHFDJYBTLHQISK-HOYKHHGWSA-N 1 2 458.566 3.701 40 0 JHABLO COc1ccc(Cn2nnnc2[C@@H](c2cc3ccc(C)cc3[nH]c2=O)[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000012711136 195095237 /nfs/dbraw/zinc/09/52/37/195095237.db2.gz AHFDJYBTLHQISK-HOYKHHGWSA-N 1 2 458.566 3.701 40 0 JHABLO CCc1ccc2[nH]c(=O)c([C@@H](c3nnnn3Cc3ccc(OC)cc3)[N@@H+]3CCC[C@@H](C)C3)cc2c1 ZINC000012710981 195095049 /nfs/dbraw/zinc/09/50/49/195095049.db2.gz ICJOGPUYDGBDQW-CJAUYULYSA-N 1 2 472.593 3.955 40 0 JHABLO CCc1ccc2[nH]c(=O)c([C@@H](c3nnnn3Cc3ccc(OC)cc3)[N@H+]3CCC[C@@H](C)C3)cc2c1 ZINC000012710981 195095052 /nfs/dbraw/zinc/09/50/52/195095052.db2.gz ICJOGPUYDGBDQW-CJAUYULYSA-N 1 2 472.593 3.955 40 0 JHABLO CC[C@H](c1nnnn1CCOC)[N@H+](Cc1ccc(F)cc1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000057640843 195354721 /nfs/dbraw/zinc/35/47/21/195354721.db2.gz LUNRSUABZJENJJ-HSZRJFAPSA-N 1 2 464.545 3.762 40 0 JHABLO CC[C@H](c1nnnn1CCOC)[N@@H+](Cc1ccc(F)cc1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000057640843 195354724 /nfs/dbraw/zinc/35/47/24/195354724.db2.gz LUNRSUABZJENJJ-HSZRJFAPSA-N 1 2 464.545 3.762 40 0 JHABLO CC[C@@H](c1nnnn1C[C@@H]1CCCO1)[N@H+](Cc1ccccc1)Cc1cc2ccc(OC)cc2[nH]c1=O ZINC000057641159 195354980 /nfs/dbraw/zinc/35/49/80/195354980.db2.gz WVEBPGZATIOCBN-ZCYQVOJMSA-N 1 2 488.592 3.856 40 0 JHABLO CC[C@@H](c1nnnn1C[C@@H]1CCCO1)[N@@H+](Cc1ccccc1)Cc1cc2ccc(OC)cc2[nH]c1=O ZINC000057641159 195354983 /nfs/dbraw/zinc/35/49/83/195354983.db2.gz WVEBPGZATIOCBN-ZCYQVOJMSA-N 1 2 488.592 3.856 40 0 JHABLO CC[C@@H](c1nnnn1C[C@@H]1CCCO1)[N@H+](Cc1ccccc1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000057640985 195355112 /nfs/dbraw/zinc/35/51/12/195355112.db2.gz VUUBSPMEXPGBDN-ZCYQVOJMSA-N 1 2 488.592 3.856 40 0 JHABLO CC[C@@H](c1nnnn1C[C@@H]1CCCO1)[N@@H+](Cc1ccccc1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000057640985 195355115 /nfs/dbraw/zinc/35/51/15/195355115.db2.gz VUUBSPMEXPGBDN-ZCYQVOJMSA-N 1 2 488.592 3.856 40 0 JHABLO O=C(C[N@@H+]1CCc2nc(N3CCCCC3)[nH]c(=O)c2C1)Nc1ccc(Oc2ccccc2)cc1 ZINC000057721372 195358297 /nfs/dbraw/zinc/35/82/97/195358297.db2.gz DSEBFJJDLWLZON-UHFFFAOYSA-N 1 2 459.550 3.549 40 0 JHABLO O=C(C[N@H+]1CCc2nc(N3CCCCC3)[nH]c(=O)c2C1)Nc1ccc(Oc2ccccc2)cc1 ZINC000057721372 195358300 /nfs/dbraw/zinc/35/83/00/195358300.db2.gz DSEBFJJDLWLZON-UHFFFAOYSA-N 1 2 459.550 3.549 40 0 JHABLO CC(C)c1ccc(-c2noc(CCC(=O)N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)n2)cc1 ZINC000022466651 519833960 /nfs/dbraw/zinc/83/39/60/519833960.db2.gz ZOWWEBLYOBXKKF-UHFFFAOYSA-N 1 2 462.550 3.866 40 0 JHABLO CCOC(=O)[C@]1(CCSC)[NH2+][C@@H](c2cccs2)[C@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@@H]21 ZINC000012497439 521354404 /nfs/dbraw/zinc/35/44/04/521354404.db2.gz JIXWTDPBVVIZQY-QPXQOZNCSA-N 1 2 458.605 3.562 40 0 JHABLO CCc1ccc2[nH]c(=O)c([C@@H](c3nnnn3Cc3ccc(OC)cc3)[NH+]3CCC(C)CC3)cc2c1 ZINC000006198083 524058526 /nfs/dbraw/zinc/05/85/26/524058526.db2.gz ZQMNKEQBKPGMDJ-VWLOTQADSA-N 1 2 472.593 3.955 40 0 JHABLO O=C(NCc1ccccc1-n1cc[nH+]c1)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl ZINC000020456392 526740943 /nfs/dbraw/zinc/74/09/43/526740943.db2.gz LUXKSXVPBQMNSJ-UHFFFAOYSA-N 1 2 458.971 3.630 40 0 JHABLO C[C@H]1CCC[N@@H+]([C@H](c2nnnn2C2CCCCC2)c2cc3cc4c(cc3[nH]c2=O)OCO4)C1 ZINC000006283274 554526759 /nfs/dbraw/zinc/52/67/59/554526759.db2.gz DJPOUMBJJBPFTG-NYHFZMIOSA-N 1 2 450.543 3.570 40 0 JHABLO C[C@H]1CCC[N@H+]([C@H](c2nnnn2C2CCCCC2)c2cc3cc4c(cc3[nH]c2=O)OCO4)C1 ZINC000006283274 554526762 /nfs/dbraw/zinc/52/67/62/554526762.db2.gz DJPOUMBJJBPFTG-NYHFZMIOSA-N 1 2 450.543 3.570 40 0 JHABLO Cc1cc2cc(C[N@@H+](C[C@@H]3CCCO3)[C@@H](c3nnnn3C[C@@H]3CCCO3)C(C)C)c(=O)[nH]c2cc1C ZINC000013498900 555425972 /nfs/dbraw/zinc/42/59/72/555425972.db2.gz SNAPQADSODYHIU-SONWIMMPSA-N 1 2 494.640 3.689 40 0 JHABLO Cc1cc2cc(C[N@H+](C[C@@H]3CCCO3)[C@@H](c3nnnn3C[C@@H]3CCCO3)C(C)C)c(=O)[nH]c2cc1C ZINC000013498900 555425973 /nfs/dbraw/zinc/42/59/73/555425973.db2.gz SNAPQADSODYHIU-SONWIMMPSA-N 1 2 494.640 3.689 40 0 JHABLO Cc1cc2cc(C[N@@H+](CCO)[C@H](c3nnnn3C3CCCCC3)C(C)C)c(=O)[nH]c2cc1C ZINC000013498935 555426494 /nfs/dbraw/zinc/42/64/94/555426494.db2.gz GUFORGQIXLKYQH-QHCPKHFHSA-N 1 2 452.603 3.828 40 0 JHABLO Cc1cc2cc(C[N@H+](CCO)[C@H](c3nnnn3C3CCCCC3)C(C)C)c(=O)[nH]c2cc1C ZINC000013498935 555426497 /nfs/dbraw/zinc/42/64/97/555426497.db2.gz GUFORGQIXLKYQH-QHCPKHFHSA-N 1 2 452.603 3.828 40 0 JHABLO CCC[C@H](c1nnnn1Cc1ccc(F)cc1)[N@H+](CCCO)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013501026 555446241 /nfs/dbraw/zinc/44/62/41/555446241.db2.gz QYDDPPVAOYPDCE-XMMPIXPASA-N 1 2 478.572 3.736 40 0 JHABLO CCC[C@H](c1nnnn1Cc1ccc(F)cc1)[N@@H+](CCCO)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013501026 555446244 /nfs/dbraw/zinc/44/62/44/555446244.db2.gz QYDDPPVAOYPDCE-XMMPIXPASA-N 1 2 478.572 3.736 40 0 JHABLO Cn1c(SCc2ccccc2)nnc1[C@H]1CCC[N@H+](CC(=O)Nc2ccc3c(c2)OCCO3)C1 ZINC000013565162 555501269 /nfs/dbraw/zinc/50/12/69/555501269.db2.gz LBYSTNGWMSETBY-IBGZPJMESA-N 1 2 479.606 3.697 40 0 JHABLO Cn1c(SCc2ccccc2)nnc1[C@H]1CCC[N@@H+](CC(=O)Nc2ccc3c(c2)OCCO3)C1 ZINC000013565162 555501272 /nfs/dbraw/zinc/50/12/72/555501272.db2.gz LBYSTNGWMSETBY-IBGZPJMESA-N 1 2 479.606 3.697 40 0 JHABLO Cc1ccc(N(CC(=O)NCc2ccccc2-n2cc[nH+]c2)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000020111081 555647465 /nfs/dbraw/zinc/64/74/65/555647465.db2.gz UAGCCCSBJCWUNM-UHFFFAOYSA-N 1 2 478.549 3.832 40 0 JHABLO CCC[C@@H](c1nnnn1C(C)(C)C)N(CC[NH+]1CCOCC1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000022928397 555978976 /nfs/dbraw/zinc/97/89/76/555978976.db2.gz TYYGFOXXXOUFRJ-DEOSSOPVSA-N 1 2 495.672 3.562 40 0 JHABLO CC[C@@H](c1nnnn1C1CCCCC1)N(CC[NH+]1CCOCC1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000022928463 555979368 /nfs/dbraw/zinc/97/93/68/555979368.db2.gz QVBUJUIRAREGMS-VWLOTQADSA-N 1 2 493.656 3.614 40 0 JHABLO Cc1ccc([C@H](c2nnnn2Cc2ccccc2)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)cc1 ZINC000022929103 555981204 /nfs/dbraw/zinc/98/12/04/555981204.db2.gz RWMAPPQDBIIGMO-HHHXNRCGSA-N 1 2 482.588 3.666 40 0 JHABLO Cc1ccc2cc(C[N@H+](CCc3ccccc3)Cc3nnnn3C[C@@H]3CCCO3)c(=O)[nH]c2c1C ZINC000019234243 556336778 /nfs/dbraw/zinc/33/67/78/556336778.db2.gz BNUYWWRNXDWPPJ-DEOSSOPVSA-N 1 2 472.593 3.555 40 0 JHABLO Cc1ccc2cc(C[N@@H+](CCc3ccccc3)Cc3nnnn3C[C@@H]3CCCO3)c(=O)[nH]c2c1C ZINC000019234243 556336780 /nfs/dbraw/zinc/33/67/80/556336780.db2.gz BNUYWWRNXDWPPJ-DEOSSOPVSA-N 1 2 472.593 3.555 40 0 JHABLO Cc1ccc2[nH]c(=O)c(CN(CC[NH+]3CCOCC3)C(=S)Nc3ccc(F)cc3)cc2c1 ZINC000019823547 556393981 /nfs/dbraw/zinc/39/39/81/556393981.db2.gz PMRUTTBCCUSAQL-UHFFFAOYSA-N 1 2 454.571 3.507 40 0 JHABLO CCOc1ccc2[nH]c(=O)c(CN(CC[NH+]3CCOCC3)C(=S)N[C@@H](C)c3ccccc3)cc2c1 ZINC000019824457 556395348 /nfs/dbraw/zinc/39/53/48/556395348.db2.gz IIOOBUSPMYZGQC-FQEVSTJZSA-N 1 2 494.661 3.697 40 0 JHABLO Cc1ccc(NC(=O)CSC2=[NH+][C@H]3CS(=O)(=O)C[C@@H]3N2Cc2ccc(Cl)cc2)c(C)c1 ZINC000032639970 556459451 /nfs/dbraw/zinc/45/94/51/556459451.db2.gz OOPMMZWIKHMVGO-PMACEKPBSA-N 1 2 478.039 3.666 40 0 JHABLO CCc1ccccc1NC(=O)CSC1=[NH+][C@@H]2CS(=O)(=O)C[C@H]2N1Cc1ccc(Cl)cc1 ZINC000032640027 556459723 /nfs/dbraw/zinc/45/97/23/556459723.db2.gz WOECAGJVVQVLOK-WOJBJXKFSA-N 1 2 478.039 3.612 40 0 JHABLO CCc1ccccc1NC(=O)CSC1=[NH+][C@H]2CS(=O)(=O)C[C@H]2N1Cc1ccc(Cl)cc1 ZINC000032640028 556459771 /nfs/dbraw/zinc/45/97/71/556459771.db2.gz WOECAGJVVQVLOK-VQTJNVASSA-N 1 2 478.039 3.612 40 0 JHABLO Cc1ccc(C)c(NC(=O)CSC2=[NH+][C@@H]3CS(=O)(=O)C[C@@H]3N2Cc2ccc(Cl)cc2)c1 ZINC000032640229 556461265 /nfs/dbraw/zinc/46/12/65/556461265.db2.gz POEYMZOGUVLEGC-UXHICEINSA-N 1 2 478.039 3.666 40 0 JHABLO CC[C@@H](c1nnnn1Cc1ccco1)[N@@H+](Cc1cc2cc(C)cc(C)c2[nH]c1=O)C[C@@H]1CCCO1 ZINC000008586270 562940896 /nfs/dbraw/zinc/94/08/96/562940896.db2.gz QCSSKBPCOAYSPD-GMAHTHKFSA-N 1 2 476.581 3.905 40 0 JHABLO CC[C@@H](c1nnnn1Cc1ccco1)[N@H+](Cc1cc2cc(C)cc(C)c2[nH]c1=O)C[C@@H]1CCCO1 ZINC000008586270 562940897 /nfs/dbraw/zinc/94/08/97/562940897.db2.gz QCSSKBPCOAYSPD-GMAHTHKFSA-N 1 2 476.581 3.905 40 0 JHABLO COc1ccc2cc([C@H](c3nnnn3Cc3ccc(F)cc3)[NH+]3CCCCCC3)c(=O)[nH]c2c1 ZINC000008625150 562948347 /nfs/dbraw/zinc/94/83/47/562948347.db2.gz FMCCCDVAOWQXOU-HSZRJFAPSA-N 1 2 462.529 3.676 40 0 JHABLO Cc1ccc2cc(C[N@@H+](C[C@H]3CCCO3)[C@@H](c3nnnn3C(C)(C)C)C(C)C)c(=O)[nH]c2c1 ZINC000033937224 569638712 /nfs/dbraw/zinc/63/87/12/569638712.db2.gz FZMAMIUIEWECLN-IFMALSPDSA-N 1 2 452.603 3.956 40 0 JHABLO Cc1ccc2cc(C[N@H+](C[C@H]3CCCO3)[C@@H](c3nnnn3C(C)(C)C)C(C)C)c(=O)[nH]c2c1 ZINC000033937224 569638713 /nfs/dbraw/zinc/63/87/13/569638713.db2.gz FZMAMIUIEWECLN-IFMALSPDSA-N 1 2 452.603 3.956 40 0 JHABLO COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(C)n(-c4ccc([NH+](C)C)cc4)c3C)C2=O)o1 ZINC000034864802 569668047 /nfs/dbraw/zinc/66/80/47/569668047.db2.gz YHYZEBZDTIKTEV-BKUYFWCQSA-N 1 2 462.506 3.633 40 0 JHABLO Cc1cccc(C(=O)N/C(=C\c2ccco2)C(=O)NCc2ccccc2C[NH+]2CCOCC2)c1 ZINC000223136359 569900688 /nfs/dbraw/zinc/90/06/88/569900688.db2.gz SWFDIYJKZWFYIQ-UQQQWYQISA-N 1 2 459.546 3.508 40 0 JHABLO Cc1ccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2CC[NH+]2CCOCC2)cc1C ZINC000223154802 569901344 /nfs/dbraw/zinc/90/13/44/569901344.db2.gz LUGCPGFKEGCCFV-RPBOFIJWSA-N 1 2 461.635 3.794 40 0 JHABLO Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC[NH+]2CCOCC2)c(C)n1Cc1cccnc1 ZINC000223171654 569901928 /nfs/dbraw/zinc/90/19/28/569901928.db2.gz DKZUCMPBBHBXKG-FTJBHMTQSA-N 1 2 490.677 3.638 40 0 JHABLO Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC[NH+]2CCOCC2)c(C)n1Cc1ccco1 ZINC000223174643 569902056 /nfs/dbraw/zinc/90/20/56/569902056.db2.gz LATKPBXBVIRAGH-LOSJGSFVSA-N 1 2 479.650 3.836 40 0 JHABLO CCOc1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC[NH+]2CCOCC2)cc1 ZINC000223196458 569903042 /nfs/dbraw/zinc/90/30/42/569903042.db2.gz MQHYCWGFXQSEHD-CLJLJLNGSA-N 1 2 491.661 3.966 40 0 JHABLO S=C1N[C@H](c2ccccn2)[C@@H](c2cccn2-c2ccc(Cl)cn2)N1CCC[NH+]1CCOCC1 ZINC000223198246 569903141 /nfs/dbraw/zinc/90/31/41/569903141.db2.gz XTGDNIRYLLLAST-DHIUTWEWSA-N 1 2 483.041 3.616 40 0 JHABLO CC[NH+]1CCN(S(=O)(=O)c2ccc(C)c(C(=O)Nc3cccc(C(F)(F)F)c3)c2)CC1 ZINC000408636308 569986586 /nfs/dbraw/zinc/98/65/86/569986586.db2.gz NWSLDUKDZYQHQL-UHFFFAOYSA-N 1 2 455.502 3.592 40 0 JHABLO O=C(Cn1ccc(=O)c2ccc(Br)cc21)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000225742609 570019139 /nfs/dbraw/zinc/01/91/39/570019139.db2.gz OTFVEAOSCYGAHU-QPJJXVBHSA-N 1 2 466.379 3.622 40 0 JHABLO COc1cc2cc([C@H](c3nnnn3Cc3ccccc3)[N@@H+]3CCC[C@H](C)C3)c(=O)[nH]c2cc1OC ZINC000253499978 570101237 /nfs/dbraw/zinc/10/12/37/570101237.db2.gz AHVHTBLVPIZWFP-BXKMTCNYSA-N 1 2 474.565 3.814 40 0 JHABLO COc1cc2cc([C@H](c3nnnn3Cc3ccccc3)[N@H+]3CCC[C@H](C)C3)c(=O)[nH]c2cc1OC ZINC000253499978 570101239 /nfs/dbraw/zinc/10/12/39/570101239.db2.gz AHVHTBLVPIZWFP-BXKMTCNYSA-N 1 2 474.565 3.814 40 0 JHABLO Cc1ccc2[nH]c(=O)c(C[N@@H+](C[C@@H]3CCCO3)[C@@H](c3nnnn3C[C@H]3CCCO3)C(C)C)cc2c1 ZINC000253500519 570102146 /nfs/dbraw/zinc/10/21/46/570102146.db2.gz SVGGPUVIQPXLAR-WMTXJRDZSA-N 1 2 480.613 3.793 40 0 JHABLO Cc1ccc2[nH]c(=O)c(C[N@H+](C[C@@H]3CCCO3)[C@@H](c3nnnn3C[C@H]3CCCO3)C(C)C)cc2c1 ZINC000253500519 570102147 /nfs/dbraw/zinc/10/21/47/570102147.db2.gz SVGGPUVIQPXLAR-WMTXJRDZSA-N 1 2 480.613 3.793 40 0 JHABLO CC(=O)N1CCN(CC(=O)Nc2ccc3[nH]c(C)[nH+]c3c2)C[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000257199622 570107555 /nfs/dbraw/zinc/10/75/55/570107555.db2.gz AADOPAKCCAGHLE-OAQYLSRUSA-N 1 2 459.472 3.734 40 0 JHABLO CC(=O)N1CCN(C(=O)c2cccc(Cn3cc[nH+]c3)c2)C[C@H](Cc2cccc3ncccc23)C1 ZINC000257200684 570108051 /nfs/dbraw/zinc/10/80/51/570108051.db2.gz AEMRMBWJZNCTKJ-HSZRJFAPSA-N 1 2 467.573 3.643 40 0 JHABLO O=C(c1ccccc1C[NH+]1CCOCC1)N1CCC[C@@]2(CN(c3cccc(F)c3)C(=O)O2)CC1 ZINC000257216542 570112975 /nfs/dbraw/zinc/11/29/75/570112975.db2.gz CUYUBDFFOVMLRG-SANMLTNESA-N 1 2 467.541 3.680 40 0 JHABLO Cc1cc2[nH]c(CCC(=O)N(C)C[C@@]3(O)CCCN(c4ccnc5cccnc54)C3)[nH+]c2cc1C ZINC000257236672 570119172 /nfs/dbraw/zinc/11/91/72/570119172.db2.gz HDEDMSRIGVQZPK-MHZLTWQESA-N 1 2 472.593 3.545 40 0 JHABLO CCCCC[C@]1(O)CC[N@H+](CC(=O)Nc2ccc3c(c2)oc(=O)n3C)C[C@@H]1Oc1ccccc1 ZINC000257269140 570129397 /nfs/dbraw/zinc/12/93/97/570129397.db2.gz MOSSFCZIPZVGJO-OZXSUGGESA-N 1 2 467.566 3.535 40 0 JHABLO CCCCC[C@]1(O)CC[N@@H+](CC(=O)Nc2ccc3c(c2)oc(=O)n3C)C[C@@H]1Oc1ccccc1 ZINC000257269140 570129398 /nfs/dbraw/zinc/12/93/98/570129398.db2.gz MOSSFCZIPZVGJO-OZXSUGGESA-N 1 2 467.566 3.535 40 0 JHABLO CCc1[nH+]ccn1-c1cccc([C@H]2CCCN2C(=O)c2ccc(OCCN3CCOCC3)cc2)n1 ZINC000257276632 570131569 /nfs/dbraw/zinc/13/15/69/570131569.db2.gz NUODKKWEWCMQSW-XMMPIXPASA-N 1 2 475.593 3.518 40 0 JHABLO CC(C)Oc1ccc([C@H]2CN(C(=O)c3ccccc3OCCN3CCCC3=O)CC[N@@H+]2C)cc1 ZINC000257292161 570136193 /nfs/dbraw/zinc/13/61/93/570136193.db2.gz QKGLYVFESFVBAB-XMMPIXPASA-N 1 2 465.594 3.604 40 0 JHABLO CC(C)Oc1ccc([C@H]2CN(C(=O)c3ccccc3OCCN3CCCC3=O)CC[N@H+]2C)cc1 ZINC000257292161 570136194 /nfs/dbraw/zinc/13/61/94/570136194.db2.gz QKGLYVFESFVBAB-XMMPIXPASA-N 1 2 465.594 3.604 40 0 JHABLO CCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@H]2c1ccc(Br)s1 ZINC000261361912 570167440 /nfs/dbraw/zinc/16/74/40/570167440.db2.gz DEDHMZFNLWAPSW-QGZVFWFLSA-O 1 2 464.390 3.986 40 0 JHABLO CSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@@H]2c1c(C)nn(-c2ccccc2)c1Cl ZINC000261363453 570168121 /nfs/dbraw/zinc/16/81/21/570168121.db2.gz SFMZUPJMBXPCJK-QFIPXVFZSA-O 1 2 479.973 3.920 40 0 JHABLO CCCC(=O)N1c2ccccc2-c2c(=O)[nH]c(SCC)n[n+]2[C@H]1c1ccc2c(c1)OCO2 ZINC000261363899 570168270 /nfs/dbraw/zinc/16/82/70/570168270.db2.gz IIDBYPGSOPQWAB-QFIPXVFZSA-O 1 2 451.528 3.671 40 0 JHABLO CCSc1n[n+]2c(c(=O)[nH]1)-c1cc(Br)ccc1N(C(C)=O)[C@@H]2c1ccccc1 ZINC000261364350 570168595 /nfs/dbraw/zinc/16/85/95/570168595.db2.gz KXCZIEVBRRIJOK-IBGZPJMESA-O 1 2 458.361 3.925 40 0 JHABLO CCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@@H]2c1cn(C(C)=O)nc1-c1ccccc1 ZINC000261364787 570168774 /nfs/dbraw/zinc/16/87/74/570168774.db2.gz NQXUHKMCOBUHSP-DEOSSOPVSA-O 1 2 487.565 3.686 40 0 JHABLO CCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@H]2c1cc(Cl)cc(OC)c1OC ZINC000261365247 570168830 /nfs/dbraw/zinc/16/88/30/570168830.db2.gz QXESGOJCPQQGGS-OAQYLSRUSA-O 1 2 473.962 3.833 40 0 JHABLO CCOc1ccc(Br)c([C@H]2N(C(C)=O)c3ccccc3-c3c(=O)[nH]c(SC)n[n+]32)c1 ZINC000261366433 570169538 /nfs/dbraw/zinc/16/95/38/570169538.db2.gz ZSVYFHFGZOQEKG-FQEVSTJZSA-O 1 2 488.387 3.933 40 0 JHABLO OCCCNc1nc(NCc2cc(F)cc(F)c2)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000329060313 570183343 /nfs/dbraw/zinc/18/33/43/570183343.db2.gz WLJWZVINTJIDGG-UHFFFAOYSA-N 1 2 454.399 3.571 40 0 JHABLO C[C@@H]1CCC[N@@H+]([C@@H](c2nnnn2C2CCCCC2)c2cc3cc4c(cc3[nH]c2=O)OCCO4)C1 ZINC000012713569 195096313 /nfs/dbraw/zinc/09/63/13/195096313.db2.gz UAZRVOTWRZTYOK-WAIKUNEKSA-N 1 2 464.570 3.612 40 0 JHABLO C[C@@H]1CCC[N@H+]([C@@H](c2nnnn2C2CCCCC2)c2cc3cc4c(cc3[nH]c2=O)OCCO4)C1 ZINC000012713569 195096315 /nfs/dbraw/zinc/09/63/15/195096315.db2.gz UAZRVOTWRZTYOK-WAIKUNEKSA-N 1 2 464.570 3.612 40 0 JHABLO CCOC(=O)C1CC[NH+]([C@@H](c2nnnn2C(C)(C)CC)c2cc3c(C)ccc(C)c3[nH]c2=O)CC1 ZINC000057589875 195351844 /nfs/dbraw/zinc/35/18/44/195351844.db2.gz UVYPXJIXSRUQDG-JOCHJYFZSA-N 1 2 480.613 3.641 40 0 JHABLO COCCn1nnnc1[C@H](c1cc2c(C)ccc(C)c2[nH]c1=O)[N@H+]1CC=C(c2ccc(F)cc2)CC1 ZINC000057608573 195353412 /nfs/dbraw/zinc/35/34/12/195353412.db2.gz UGKYKPAZUPUPQW-VWLOTQADSA-N 1 2 488.567 3.796 40 0 JHABLO COCCn1nnnc1[C@H](c1cc2c(C)ccc(C)c2[nH]c1=O)[N@@H+]1CC=C(c2ccc(F)cc2)CC1 ZINC000057608573 195353414 /nfs/dbraw/zinc/35/34/14/195353414.db2.gz UGKYKPAZUPUPQW-VWLOTQADSA-N 1 2 488.567 3.796 40 0 JHABLO CCOC(=O)Cn1nnnc1[C@H](CC)[N@H+](Cc1cccs1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000008617335 520920174 /nfs/dbraw/zinc/92/01/74/520920174.db2.gz WPNFDWYFZRJCME-NRFANRHFSA-N 1 2 480.594 3.601 40 0 JHABLO CCOC(=O)Cn1nnnc1[C@H](CC)[N@@H+](Cc1cccs1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000008617335 520920185 /nfs/dbraw/zinc/92/01/85/520920185.db2.gz WPNFDWYFZRJCME-NRFANRHFSA-N 1 2 480.594 3.601 40 0 JHABLO CC1CC[NH+]([C@H](c2nnnn2C2CCCCC2)c2cc3cc4c(cc3[nH]c2=O)OCCO4)CC1 ZINC000006148937 521036376 /nfs/dbraw/zinc/03/63/76/521036376.db2.gz LBDKLTYXYHQQRW-QHCPKHFHSA-N 1 2 464.570 3.612 40 0 JHABLO COc1ccc(C)cc1NS(=O)(=O)c1ccc(NC(=O)c2cccc(C[NH+]3CCOCC3)c2)cc1 ZINC000020493490 523844810 /nfs/dbraw/zinc/84/48/10/523844810.db2.gz XCHLILTXBACLTO-UHFFFAOYSA-N 1 2 495.601 3.889 40 0 JHABLO Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccccc2-n2cc[nH+]c2)c2ccccc2F)cc1 ZINC000022431499 525505907 /nfs/dbraw/zinc/50/59/07/525505907.db2.gz MJIUTBYNOCWHOB-UHFFFAOYSA-N 1 2 478.549 3.832 40 0 JHABLO O=C(COc1ccc(S(=O)(=O)NC2CCCCC2)cc1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000016450911 526965669 /nfs/dbraw/zinc/96/56/69/526965669.db2.gz YBBTUJYEGRTLJT-JXMROGBWSA-N 1 2 497.661 3.534 40 0 JHABLO COc1ccccc1NC(=S)N(CC[NH+]1CCOCC1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000000920098 553852549 /nfs/dbraw/zinc/85/25/49/553852549.db2.gz LWOXIMAGNKWWFO-UHFFFAOYSA-N 1 2 480.634 3.685 40 0 JHABLO COCCn1nnnc1[C@H](c1cc2cc(C)c(C)cc2[nH]c1=O)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000006321067 554530882 /nfs/dbraw/zinc/53/08/82/554530882.db2.gz YLRPBMISTHKYFM-SANMLTNESA-N 1 2 486.620 3.822 40 0 JHABLO CCOc1ccc2[nH]c(=O)c(C[N@H+](C[C@@H]3CCCO3)[C@@H](CC)c3nnnn3C(C)(C)C)cc2c1 ZINC000013494501 555404971 /nfs/dbraw/zinc/40/49/71/555404971.db2.gz HUANAKOPAVLNJY-UNMCSNQZSA-N 1 2 468.602 3.801 40 0 JHABLO CCOc1ccc2[nH]c(=O)c(C[N@@H+](C[C@@H]3CCCO3)[C@@H](CC)c3nnnn3C(C)(C)C)cc2c1 ZINC000013494501 555404974 /nfs/dbraw/zinc/40/49/74/555404974.db2.gz HUANAKOPAVLNJY-UNMCSNQZSA-N 1 2 468.602 3.801 40 0 JHABLO CCc1ccc2[nH]c(=O)c(C[N@H+](CCCO)[C@H](c3nnnn3C3CCCC3)C(C)C)cc2c1 ZINC000013498464 555420686 /nfs/dbraw/zinc/42/06/86/555420686.db2.gz WTPNTSIZNKDSHS-QHCPKHFHSA-N 1 2 452.603 3.774 40 0 JHABLO CCc1ccc2[nH]c(=O)c(C[N@@H+](CCCO)[C@H](c3nnnn3C3CCCC3)C(C)C)cc2c1 ZINC000013498464 555420688 /nfs/dbraw/zinc/42/06/88/555420688.db2.gz WTPNTSIZNKDSHS-QHCPKHFHSA-N 1 2 452.603 3.774 40 0 JHABLO CCc1ccc2[nH]c(=O)c(C[N@H+](CCCO)[C@H](c3nnnn3CCc3ccccc3)C(C)C)cc2c1 ZINC000013498468 555420845 /nfs/dbraw/zinc/42/08/45/555420845.db2.gz NOOCVQXQCDLWMX-SANMLTNESA-N 1 2 488.636 3.901 40 0 JHABLO CCc1ccc2[nH]c(=O)c(C[N@@H+](CCCO)[C@H](c3nnnn3CCc3ccccc3)C(C)C)cc2c1 ZINC000013498468 555420848 /nfs/dbraw/zinc/42/08/48/555420848.db2.gz NOOCVQXQCDLWMX-SANMLTNESA-N 1 2 488.636 3.901 40 0 JHABLO Cc1cc2cc(C[N@@H+](CCO)[C@@H](c3nnnn3C3CCCCC3)C(C)C)c(=O)[nH]c2cc1C ZINC000013498934 555426424 /nfs/dbraw/zinc/42/64/24/555426424.db2.gz GUFORGQIXLKYQH-HSZRJFAPSA-N 1 2 452.603 3.828 40 0 JHABLO Cc1cc2cc(C[N@H+](CCO)[C@@H](c3nnnn3C3CCCCC3)C(C)C)c(=O)[nH]c2cc1C ZINC000013498934 555426426 /nfs/dbraw/zinc/42/64/26/555426426.db2.gz GUFORGQIXLKYQH-HSZRJFAPSA-N 1 2 452.603 3.828 40 0 JHABLO CCC[C@@H](c1nnnn1C1CCCCC1)[N@H+](CCCO)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000013499406 555431349 /nfs/dbraw/zinc/43/13/49/555431349.db2.gz RTHBRQGCSAWEJQ-QFIPXVFZSA-N 1 2 496.612 3.517 40 0 JHABLO CCC[C@@H](c1nnnn1C1CCCCC1)[N@@H+](CCCO)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000013499406 555431353 /nfs/dbraw/zinc/43/13/53/555431353.db2.gz RTHBRQGCSAWEJQ-QFIPXVFZSA-N 1 2 496.612 3.517 40 0 JHABLO Cc1cc(C)c2[nH]c(=O)c(C[N@@H+](CCCO)[C@@H](c3nnnn3Cc3ccc(F)cc3)C(C)C)cc2c1 ZINC000013500570 555441350 /nfs/dbraw/zinc/44/13/50/555441350.db2.gz HZVWZAUIFNMILT-RUZDIDTESA-N 1 2 492.599 3.901 40 0 JHABLO Cc1cc(C)c2[nH]c(=O)c(C[N@H+](CCCO)[C@@H](c3nnnn3Cc3ccc(F)cc3)C(C)C)cc2c1 ZINC000013500570 555441354 /nfs/dbraw/zinc/44/13/54/555441354.db2.gz HZVWZAUIFNMILT-RUZDIDTESA-N 1 2 492.599 3.901 40 0 JHABLO CCC[C@H](c1nnnn1CCc1ccccc1)[N@H+](CCCO)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013501036 555446684 /nfs/dbraw/zinc/44/66/84/555446684.db2.gz WXCBSBODRMJCCQ-RUZDIDTESA-N 1 2 474.609 3.792 40 0 JHABLO CCC[C@H](c1nnnn1CCc1ccccc1)[N@@H+](CCCO)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013501036 555446686 /nfs/dbraw/zinc/44/66/86/555446686.db2.gz WXCBSBODRMJCCQ-RUZDIDTESA-N 1 2 474.609 3.792 40 0 JHABLO CCC[C@@H](c1nnnn1C(C)(C)CC)[N@H+](CCCO)Cc1cc2cc(OCC)ccc2[nH]c1=O ZINC000013501055 555446950 /nfs/dbraw/zinc/44/69/50/555446950.db2.gz BKYKGHNSVGDSOZ-QFIPXVFZSA-N 1 2 470.618 3.784 40 0 JHABLO CCC[C@@H](c1nnnn1C(C)(C)CC)[N@@H+](CCCO)Cc1cc2cc(OCC)ccc2[nH]c1=O ZINC000013501055 555446954 /nfs/dbraw/zinc/44/69/54/555446954.db2.gz BKYKGHNSVGDSOZ-QFIPXVFZSA-N 1 2 470.618 3.784 40 0 JHABLO O=C1CCCN1c1ccc(S(=O)(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000020042117 555614422 /nfs/dbraw/zinc/61/44/22/555614422.db2.gz JYWJSFRWYCFFGU-UHFFFAOYSA-N 1 2 475.614 3.909 40 0 JHABLO CCOC(=O)c1c2c(sc1NC(=O)CSc1nccn1C)C[N@@H+](Cc1ccccc1)CC2 ZINC000014162749 555716844 /nfs/dbraw/zinc/71/68/44/555716844.db2.gz NSRLPJQQCRTPFX-UHFFFAOYSA-N 1 2 470.620 3.947 40 0 JHABLO CCOC(=O)c1c2c(sc1NC(=O)CSc1nccn1C)C[N@H+](Cc1ccccc1)CC2 ZINC000014162749 555716848 /nfs/dbraw/zinc/71/68/48/555716848.db2.gz NSRLPJQQCRTPFX-UHFFFAOYSA-N 1 2 470.620 3.947 40 0 JHABLO C[C@@H](NS(=O)(=O)c1ccc(I)cc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000015022917 555864279 /nfs/dbraw/zinc/86/42/79/555864279.db2.gz HIESLVNGNUGMPP-CYBMUJFWSA-N 1 2 453.305 3.516 40 0 JHABLO O=C1Nc2c(cccc2C(F)(F)F)[C@@]12[C@H]1C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]1[C@H]1CCC[N@@H+]12 ZINC000012375017 555962228 /nfs/dbraw/zinc/96/22/28/555962228.db2.gz JACTYZJSKFLAHC-PEOGOYOCSA-N 1 2 475.854 3.790 40 0 JHABLO O=C1Nc2c(cccc2C(F)(F)F)[C@@]12[C@H]1C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]1[C@H]1CCC[N@H+]12 ZINC000012375017 555962229 /nfs/dbraw/zinc/96/22/29/555962229.db2.gz JACTYZJSKFLAHC-PEOGOYOCSA-N 1 2 475.854 3.790 40 0 JHABLO Cc1ccc(C)c(NC(=O)CSC2=[NH+][C@H]3CS(=O)(=O)C[C@H]3N2Cc2ccc(Cl)cc2)c1 ZINC000032640232 556461293 /nfs/dbraw/zinc/46/12/93/556461293.db2.gz POEYMZOGUVLEGC-VQTJNVASSA-N 1 2 478.039 3.666 40 0 JHABLO O=C1[C@@H]2C[C@@H](CN2Cc2[nH]cc[nH+]2)Oc2ccccc2N1Cc1ccc(OC(F)(F)F)cc1 ZINC000096111965 560060978 /nfs/dbraw/zinc/06/09/78/560060978.db2.gz FIGPICPQGDPKGY-HKUYNNGSSA-N 1 2 458.440 3.877 40 0 biogenic,in-vitro JHABLO NC(=O)C1CCN(c2cc(-c3noc([C@@H]4CCC[N@@H+]4Cc4ccc(Cl)cc4)n3)ccn2)CC1 ZINC000035424662 560081087 /nfs/dbraw/zinc/08/10/87/560081087.db2.gz HIIQFUWKYULISZ-FQEVSTJZSA-N 1 2 466.973 3.824 40 0 biogenic,in-vitro JHABLO NC(=O)C1CCN(c2cc(-c3noc([C@@H]4CCC[N@H+]4Cc4ccc(Cl)cc4)n3)ccn2)CC1 ZINC000035424662 560081089 /nfs/dbraw/zinc/08/10/89/560081089.db2.gz HIIQFUWKYULISZ-FQEVSTJZSA-N 1 2 466.973 3.824 40 0 biogenic,in-vitro JHABLO COc1ccc2cc([C@H](c3nnnn3CCc3ccccc3)[NH+]3CCC(C)CC3)c(=O)[nH]c2c1 ZINC000008666647 562948797 /nfs/dbraw/zinc/94/87/97/562948797.db2.gz UIAGQVXPQBZWHF-XMMPIXPASA-N 1 2 458.566 4.000 40 0 JHABLO Cc1cc(C)c2[nH]c(=O)c([C@H](c3nnnn3Cc3ccc4c(c3)OCO4)[NH+]3CCCC3)cc2c1 ZINC000008716781 562954760 /nfs/dbraw/zinc/95/47/60/562954760.db2.gz BMWFDPQGQFDPHU-HSZRJFAPSA-N 1 2 458.522 3.506 40 0 JHABLO CCC[C@@H](c1nnnn1C[C@H]1CCCO1)[N@@H+](Cc1cc2cc(C)ccc2[nH]c1=O)C[C@@H]1CCCO1 ZINC000033937358 569639023 /nfs/dbraw/zinc/63/90/23/569639023.db2.gz SMKSHAPFFYGIPR-ZDXQCDESSA-N 1 2 480.613 3.524 40 0 JHABLO CCC[C@@H](c1nnnn1C[C@H]1CCCO1)[N@H+](Cc1cc2cc(C)ccc2[nH]c1=O)C[C@@H]1CCCO1 ZINC000033937358 569639025 /nfs/dbraw/zinc/63/90/25/569639025.db2.gz SMKSHAPFFYGIPR-ZDXQCDESSA-N 1 2 480.613 3.524 40 0 JHABLO O=C(NCC[NH+]1CCOCC1)c1cc2ccc(-c3cccc(Cl)c3)cn2c1-c1cocn1 ZINC000096038165 569732433 /nfs/dbraw/zinc/73/24/33/569732433.db2.gz DJMMGXUPBQMVPO-UHFFFAOYSA-N 1 2 450.926 3.977 40 0 JHABLO CN=[S@](=O)(OCC[NH+](C)CCO[S@@](=O)(=NC)c1ccc(C)cc1)c1ccc(C)cc1 ZINC000104206202 569843059 /nfs/dbraw/zinc/84/30/59/569843059.db2.gz KAYIOQLXZOCTSI-LOYHVIPDSA-N 1 2 453.630 3.712 40 0 JHABLO CNc1nc(N2C[C@@H](C(=O)NC3CCCCC3)CC[C@@H]2C)cc(-c2ccc3c(N)n[nH]c3c2)[nH+]1 ZINC000208012538 569874861 /nfs/dbraw/zinc/87/48/61/569874861.db2.gz QLPHOXTXAKOFMU-RDJZCZTQSA-N 1 2 462.602 3.698 40 0 JHABLO Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCC[NH+]2CCOCC2)c(C)n1Cc1ccncc1 ZINC000223172039 569901982 /nfs/dbraw/zinc/90/19/82/569901982.db2.gz MNCVPHJIPHXEGL-UIOOFZCWSA-N 1 2 490.677 3.638 40 0 JHABLO Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCC[NH+]2CCOCC2)c(C)n1-c1nccs1 ZINC000223172110 569901985 /nfs/dbraw/zinc/90/19/85/569901985.db2.gz HVGUCQPUNGIITK-FGZHOGPDSA-N 1 2 482.679 3.640 40 0 JHABLO Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)Nc2ccc(C)c(S(=O)(=O)N3CC[NH+](C)CC3)c2)c1 ZINC000223899967 569926617 /nfs/dbraw/zinc/92/66/17/569926617.db2.gz CJTRHCMTXAMQJE-FQEVSTJZSA-N 1 2 473.639 3.769 40 0 JHABLO O=C(CN(Cc1c(F)cccc1Cl)S(=O)(=O)c1ccc(Cl)cc1)NCCCn1cc[nH+]c1 ZINC000408625021 569979988 /nfs/dbraw/zinc/97/99/88/569979988.db2.gz VEIAQJFRSFIYJT-UHFFFAOYSA-N 1 2 499.395 3.726 40 0 JHABLO COC(=O)c1cc(S(=O)(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)ccc1C ZINC000225405849 569995237 /nfs/dbraw/zinc/99/52/37/569995237.db2.gz ZHJVDDMJDONFRU-UHFFFAOYSA-N 1 2 464.587 3.878 40 0 JHABLO Cc1cc(C)c(S(=O)(=O)N2CCC(C(=O)N3CC[NH+](C/C=C/c4ccccc4)CC3)CC2)c(C)c1 ZINC000247892307 570070756 /nfs/dbraw/zinc/07/07/56/570070756.db2.gz VSROHQMKWOYEMZ-JXMROGBWSA-N 1 2 495.689 3.870 40 0 JHABLO CC[C@H](c1nnnn1C[C@@H]1CCCO1)[N@@H+](Cc1cc2cc(C)ccc2[nH]c1=O)C[C@H]1CCCO1 ZINC000253500492 570101941 /nfs/dbraw/zinc/10/19/41/570101941.db2.gz QZHAPWWYUMDJSK-FUPPJEDESA-N 1 2 466.586 3.547 40 0 JHABLO CC[C@H](c1nnnn1C[C@@H]1CCCO1)[N@H+](Cc1cc2cc(C)ccc2[nH]c1=O)C[C@H]1CCCO1 ZINC000253500492 570101943 /nfs/dbraw/zinc/10/19/43/570101943.db2.gz QZHAPWWYUMDJSK-FUPPJEDESA-N 1 2 466.586 3.547 40 0 JHABLO CC[C@H](c1nnnn1C1CCCC1)[N@@H+](Cc1cc2cc3c(cc2[nH]c1=O)OCCO3)C[C@H]1CCCO1 ZINC000253616905 570105018 /nfs/dbraw/zinc/10/50/18/570105018.db2.gz DRLMYAJNPULDOL-IFMALSPDSA-N 1 2 494.596 3.946 40 0 JHABLO CC[C@H](c1nnnn1C1CCCC1)[N@H+](Cc1cc2cc3c(cc2[nH]c1=O)OCCO3)C[C@H]1CCCO1 ZINC000253616905 570105019 /nfs/dbraw/zinc/10/50/19/570105019.db2.gz DRLMYAJNPULDOL-IFMALSPDSA-N 1 2 494.596 3.946 40 0 JHABLO COc1ccc([C@H]2CN(C(=O)C3(C)CCN(C(=O)Cc4ccc(F)cc4)CC3)CC[N@@H+]2C)cc1 ZINC000257200856 570108005 /nfs/dbraw/zinc/10/80/05/570108005.db2.gz AFCVJVHZDPBION-XMMPIXPASA-N 1 2 467.585 3.521 40 0 JHABLO COc1ccc([C@H]2CN(C(=O)C3(C)CCN(C(=O)Cc4ccc(F)cc4)CC3)CC[N@H+]2C)cc1 ZINC000257200856 570108007 /nfs/dbraw/zinc/10/80/07/570108007.db2.gz AFCVJVHZDPBION-XMMPIXPASA-N 1 2 467.585 3.521 40 0 JHABLO CC(=O)N1CCC(Cc2ccc(F)cc2)(C(=O)N2CCC[C@@H]2c2cc[nH+]c(N(C)C)c2)CC1 ZINC000257201178 570108012 /nfs/dbraw/zinc/10/80/12/570108012.db2.gz AGQRRWOCCDJUJC-HSZRJFAPSA-N 1 2 452.574 3.822 40 0 JHABLO CC(=O)N1CCC(Cc2ccc(F)cc2)(C(=O)N2CCC[C@H]2c2cc[nH+]c(N(C)C)c2)CC1 ZINC000257201179 570108078 /nfs/dbraw/zinc/10/80/78/570108078.db2.gz AGQRRWOCCDJUJC-QHCPKHFHSA-N 1 2 452.574 3.822 40 0 JHABLO Cc1nc2cc(NC(=O)C[N@@H+]3C[C@@H](c4cc(F)cc(F)c4)[C@]4(C3)CCCCC(=O)N4)ccc2n1C ZINC000257211916 570111546 /nfs/dbraw/zinc/11/15/46/570111546.db2.gz CBBLZZPFKZJIJZ-HFZDXXHNSA-N 1 2 481.547 3.627 40 0 JHABLO Cc1nc2cc(NC(=O)C[N@H+]3C[C@@H](c4cc(F)cc(F)c4)[C@]4(C3)CCCCC(=O)N4)ccc2n1C ZINC000257211916 570111547 /nfs/dbraw/zinc/11/15/47/570111547.db2.gz CBBLZZPFKZJIJZ-HFZDXXHNSA-N 1 2 481.547 3.627 40 0 JHABLO C[N@H+](CC(=O)N1CCC2(CC1)CO[C@@H]1c3cccc(O)c3OC(C)(C)[C@H]1C2)Cc1ccccn1 ZINC000257247101 570122160 /nfs/dbraw/zinc/12/21/60/570122160.db2.gz IXLPZVTXEGYWBX-XUZZJYLKSA-N 1 2 465.594 3.777 40 0 JHABLO C[N@@H+](CC(=O)N1CCC2(CC1)CO[C@@H]1c3cccc(O)c3OC(C)(C)[C@H]1C2)Cc1ccccn1 ZINC000257247101 570122161 /nfs/dbraw/zinc/12/21/61/570122161.db2.gz IXLPZVTXEGYWBX-XUZZJYLKSA-N 1 2 465.594 3.777 40 0 JHABLO COc1ccc([C@H]2CN(C(C)=O)[C@@H]3CC[N@H+](CC(=O)Nc4ccc(NC(C)=O)cc4Cl)C[C@@H]32)cc1 ZINC000257262695 570127150 /nfs/dbraw/zinc/12/71/50/570127150.db2.gz LMLXUSRKQRYBRY-TZBSWOFLSA-N 1 2 499.011 3.582 40 0 JHABLO COc1ccc([C@H]2CN(C(C)=O)[C@@H]3CC[N@@H+](CC(=O)Nc4ccc(NC(C)=O)cc4Cl)C[C@@H]32)cc1 ZINC000257262695 570127151 /nfs/dbraw/zinc/12/71/51/570127151.db2.gz LMLXUSRKQRYBRY-TZBSWOFLSA-N 1 2 499.011 3.582 40 0 JHABLO Cc1cc(N2CC[C@@](O)(CN(C)C(=O)CCc3nc4cc(Cl)ccc4[nH]3)C2)c2cnccc2[nH+]1 ZINC000257272594 570130516 /nfs/dbraw/zinc/13/05/16/570130516.db2.gz NDACVWZTCYZYJX-RUZDIDTESA-N 1 2 478.984 3.500 40 0 JHABLO Cc1cc(N2CC[C@@](O)(CN(C)C(=O)CCc3nc4ccc(Cl)cc4[nH]3)C2)c2cnccc2[nH+]1 ZINC000257272594 570130517 /nfs/dbraw/zinc/13/05/17/570130517.db2.gz NDACVWZTCYZYJX-RUZDIDTESA-N 1 2 478.984 3.500 40 0 JHABLO CN1C(=O)CCCC[C@]12CN(C(=O)c1ccccc1C[NH+]1CCOCC1)C[C@H]2c1ccccc1 ZINC000257277055 570131790 /nfs/dbraw/zinc/13/17/90/570131790.db2.gz NWGNNIMKHUHKQR-LBNVMWSVSA-N 1 2 461.606 3.530 40 0 JHABLO COc1ccc(-c2csc(NC(=O)C[N@@H+]3CC[C@H](Oc4cccc(F)c4)[C@@](C)(O)C3)n2)cc1 ZINC000257295223 570137069 /nfs/dbraw/zinc/13/70/69/570137069.db2.gz QXMQKKFWCKBIJB-URXFXBBRSA-N 1 2 471.554 3.801 40 0 JHABLO COc1ccc(-c2csc(NC(=O)C[N@H+]3CC[C@H](Oc4cccc(F)c4)[C@@](C)(O)C3)n2)cc1 ZINC000257295223 570137071 /nfs/dbraw/zinc/13/70/71/570137071.db2.gz QXMQKKFWCKBIJB-URXFXBBRSA-N 1 2 471.554 3.801 40 0 JHABLO C[C@@]1(C2CCN(C(=O)c3cccc(Cn4cc[nH+]c4)c3)CC2)CN(c2ccccc2)C(=O)CO1 ZINC000257312057 570142157 /nfs/dbraw/zinc/14/21/57/570142157.db2.gz UMGWPHXSKWKETO-MHZLTWQESA-N 1 2 458.562 3.606 40 0 JHABLO O=C(c1cccc(Cn2cc[nH+]c2)c1)N1CCC[C@@]2(CN(CCc3ccccc3)C(=O)O2)CC1 ZINC000257315832 570143255 /nfs/dbraw/zinc/14/32/55/570143255.db2.gz VCYBDQQRMSJCEF-MHZLTWQESA-N 1 2 458.562 3.991 40 0 JHABLO CC(=O)c1ccc(NC(=O)C[N@@H+]2CC[C@H]3O[C@H]4c5cccc(O)c5OC(C)(C)[C@@H]4C[C@H]32)cc1 ZINC000257327366 570146842 /nfs/dbraw/zinc/14/68/42/570146842.db2.gz XBBRIDJWAYHUHG-RKONGDRVSA-N 1 2 450.535 3.925 40 0 JHABLO CC(=O)c1ccc(NC(=O)C[N@H+]2CC[C@H]3O[C@H]4c5cccc(O)c5OC(C)(C)[C@@H]4C[C@H]32)cc1 ZINC000257327366 570146843 /nfs/dbraw/zinc/14/68/43/570146843.db2.gz XBBRIDJWAYHUHG-RKONGDRVSA-N 1 2 450.535 3.925 40 0 JHABLO CC(C)Cc1[nH+]c2ccccc2n1CC(=O)N1CCO[C@@H](c2cccc(Br)n2)C1 ZINC000257329675 570147360 /nfs/dbraw/zinc/14/73/60/570147360.db2.gz XKYYEQZQLFWGKC-LJQANCHMSA-N 1 2 457.372 3.992 40 0 JHABLO COc1ccc([C@H]2CN(C(=O)C3(C)CCN(C(=O)CCc4ccccc4)CC3)CC[N@@H+]2C)cc1 ZINC000257343230 570151242 /nfs/dbraw/zinc/15/12/42/570151242.db2.gz ZSADJQOGESDAFR-RUZDIDTESA-N 1 2 463.622 3.772 40 0 JHABLO COc1ccc([C@H]2CN(C(=O)C3(C)CCN(C(=O)CCc4ccccc4)CC3)CC[N@H+]2C)cc1 ZINC000257343230 570151243 /nfs/dbraw/zinc/15/12/43/570151243.db2.gz ZSADJQOGESDAFR-RUZDIDTESA-N 1 2 463.622 3.772 40 0 JHABLO OCCNc1nc(Nc2ccc(C(F)(F)F)cc2Br)cc(-c2ccccc2)[nH+]1 ZINC000328959941 570179407 /nfs/dbraw/zinc/17/94/07/570179407.db2.gz AVPREFGEACGBDC-UHFFFAOYSA-N 1 2 453.262 3.917 40 0 JHABLO C[C@@H](CO)Nc1nc(NCc2ccc(Cl)cc2)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000328984888 570180660 /nfs/dbraw/zinc/18/06/60/570180660.db2.gz HPZASFYQMVNIDB-ZDUSSCGKSA-N 1 2 452.864 3.944 40 0 JHABLO CC[NH+]1CCN(S(=O)(=O)c2ccc(OC)c(NC(=O)c3ccc(Cl)cc3Cl)c2)CC1 ZINC000408562424 570201756 /nfs/dbraw/zinc/20/17/56/570201756.db2.gz ZVHBFQQIVCQETB-UHFFFAOYSA-N 1 2 472.394 3.581 40 0 JHABLO Cc1cc(C)c2[nH]c(=O)c(CN(CC[NH+]3CCOCC3)C(=O)Nc3ccc(F)cc3)cc2c1 ZINC000001371550 194105617 /nfs/dbraw/zinc/10/56/17/194105617.db2.gz HOBQIGZAMAOITD-UHFFFAOYSA-N 1 2 452.530 3.650 40 0 JHABLO O=C(c1ccc(Br)cc1)N1CCN(c2[nH+]cnc3c2cnn3-c2ccccc2)CC1 ZINC000001372331 194106054 /nfs/dbraw/zinc/10/60/54/194106054.db2.gz SZFNNXOHMPLQGI-UHFFFAOYSA-N 1 2 463.339 3.540 40 0 JHABLO Nc1nc(N2CCCCC2)[nH+]c2c1[C@H](C(=O)Nc1ccc(Oc3ccccc3)cc1)CC(=O)N2 ZINC000020635651 195191728 /nfs/dbraw/zinc/19/17/28/195191728.db2.gz ROLMDOKYJMQTOT-LJQANCHMSA-N 1 2 458.522 3.906 40 0 JHABLO O=C(c1ccccc1)N1CCCc2cc(S(=O)(=O)N3CC[NH+](Cc4ccccc4)CC3)ccc21 ZINC000020765799 195220996 /nfs/dbraw/zinc/22/09/96/195220996.db2.gz JRPYAVOZPYNQJV-UHFFFAOYSA-N 1 2 475.614 3.786 40 0 JHABLO COc1cccc(-c2nc(-c3cc(C(=O)NCC[NH+]4CCOCC4)c4ccccn34)cs2)c1 ZINC000096154887 129978901 /nfs/dbraw/zinc/97/89/01/129978901.db2.gz UDIBYKHEYUDFHP-UHFFFAOYSA-N 1 2 462.575 3.800 40 0 JHABLO CC(C)[C@H](c1nnnn1Cc1ccc(F)cc1)[NH+]1CCN(c2nc3ccccc3s2)CC1 ZINC000013504726 519824290 /nfs/dbraw/zinc/82/42/90/519824290.db2.gz BDYNWBZPEBQELH-OAQYLSRUSA-N 1 2 451.575 3.990 40 0 JHABLO CC1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)NCc3ccc(-n4cc[nH+]c4)cc3)c2)CC1 ZINC000020482336 521029752 /nfs/dbraw/zinc/02/97/52/521029752.db2.gz FGJWPEXCENXMOG-UHFFFAOYSA-N 1 2 472.998 3.876 40 0 JHABLO CCOc1ccccc1N(CC(=O)NCc1ccc(-n2cc[nH+]c2)cc1)S(=O)(=O)c1ccccc1 ZINC000022428733 521512507 /nfs/dbraw/zinc/51/25/07/521512507.db2.gz ZDFYHFMXYZYVGG-UHFFFAOYSA-N 1 2 490.585 3.783 40 0 JHABLO COc1cc2cc([C@H](c3nnnn3C3CCCCC3)[NH+]3CCC(C)CC3)c(=O)[nH]c2cc1OC ZINC000006148959 523057835 /nfs/dbraw/zinc/05/78/35/523057835.db2.gz RIBIPSMJTHYNRS-HSZRJFAPSA-N 1 2 466.586 3.858 40 0 JHABLO CN(c1ccc(C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)cc1)S(=O)(=O)c1cccs1 ZINC000038771723 523634100 /nfs/dbraw/zinc/63/41/00/523634100.db2.gz WYDDEQVVXSNJOO-UHFFFAOYSA-N 1 2 452.561 3.689 40 0 JHABLO CS(=O)(=O)N(Cc1ccc(F)cc1)c1ccc(C(=O)NCc2ccccc2-n2cc[nH+]c2)cc1 ZINC000044847108 525156975 /nfs/dbraw/zinc/15/69/75/525156975.db2.gz YVWQUZRQLFZGGV-UHFFFAOYSA-N 1 2 478.549 3.908 40 0 JHABLO CS(=O)(=O)N(Cc1ccccc1)c1ccccc1C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000020460417 525158620 /nfs/dbraw/zinc/15/86/20/525158620.db2.gz XLCAVFYTGCREDA-UHFFFAOYSA-N 1 2 460.559 3.769 40 0 JHABLO O=C(NCc1ccccc1-n1cc[nH+]c1)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1 ZINC000044950163 526741143 /nfs/dbraw/zinc/74/11/43/526741143.db2.gz WLTJYBRRMKOFOJ-UHFFFAOYSA-N 1 2 458.971 3.630 40 0 JHABLO COc1ccc2cc([C@H](c3nnnn3Cc3ccc(F)cc3)[N@@H+]3CCC[C@H](C)C3)c(=O)[nH]c2c1 ZINC000000911327 553841633 /nfs/dbraw/zinc/84/16/33/553841633.db2.gz GZWWWFOMGJAHBW-QMHKHESXSA-N 1 2 462.529 3.532 40 0 JHABLO COc1ccc2cc([C@H](c3nnnn3Cc3ccc(F)cc3)[N@H+]3CCC[C@H](C)C3)c(=O)[nH]c2c1 ZINC000000911327 553841634 /nfs/dbraw/zinc/84/16/34/553841634.db2.gz GZWWWFOMGJAHBW-QMHKHESXSA-N 1 2 462.529 3.532 40 0 JHABLO COc1ccc(Cn2nnnc2C[N@H+](Cc2cc3cc(OC)ccc3[nH]c2=O)C2CCCC2)cc1 ZINC000000927864 553864886 /nfs/dbraw/zinc/86/48/86/553864886.db2.gz ATNVCJFVEVXWDM-UHFFFAOYSA-N 1 2 474.565 3.525 40 0 JHABLO COc1ccc(Cn2nnnc2C[N@@H+](Cc2cc3cc(OC)ccc3[nH]c2=O)C2CCCC2)cc1 ZINC000000927864 553864889 /nfs/dbraw/zinc/86/48/89/553864889.db2.gz ATNVCJFVEVXWDM-UHFFFAOYSA-N 1 2 474.565 3.525 40 0 JHABLO Cc1ccc(-n2ncc3c2nc[nH+]c3SCC(=O)Nc2ccccc2N2CCOCC2)cc1C ZINC000001346430 553955381 /nfs/dbraw/zinc/95/53/81/553955381.db2.gz SPKHUMMHKIZDMM-UHFFFAOYSA-N 1 2 474.590 4.000 40 0 JHABLO COc1ccc(Cn2nnnc2[C@@H](c2cc3ccc(OC)cc3[nH]c2=O)[NH+]2CCC(C)CC2)cc1 ZINC000008753537 554655184 /nfs/dbraw/zinc/65/51/84/554655184.db2.gz YWUZYXACBGAZHW-XMMPIXPASA-N 1 2 474.565 3.814 40 0 JHABLO CCOC(=O)Cn1nnnc1[C@H](CC)[N@H+](Cc1ccc(F)cc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013494974 555406898 /nfs/dbraw/zinc/40/68/98/555406898.db2.gz VSKAGXCPTBTRBJ-QFIPXVFZSA-N 1 2 492.555 3.679 40 0 JHABLO CCOC(=O)Cn1nnnc1[C@H](CC)[N@@H+](Cc1ccc(F)cc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013494974 555406901 /nfs/dbraw/zinc/40/69/01/555406901.db2.gz VSKAGXCPTBTRBJ-QFIPXVFZSA-N 1 2 492.555 3.679 40 0 JHABLO CC[C@@H](c1nnnn1Cc1ccc(F)cc1)[N@H+](CCCO)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013496012 555410500 /nfs/dbraw/zinc/41/05/00/555410500.db2.gz HUKWINWUURCIAM-QHCPKHFHSA-N 1 2 478.572 3.655 40 0 JHABLO CC[C@@H](c1nnnn1Cc1ccc(F)cc1)[N@@H+](CCCO)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013496012 555410502 /nfs/dbraw/zinc/41/05/02/555410502.db2.gz HUKWINWUURCIAM-QHCPKHFHSA-N 1 2 478.572 3.655 40 0 JHABLO COCCn1nnnc1[C@@H](C(C)C)[N@H+](Cc1ccc(C)cc1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000013498665 555423344 /nfs/dbraw/zinc/42/33/44/555423344.db2.gz PVPWEAABKNLCJQ-RUZDIDTESA-N 1 2 490.608 3.878 40 0 JHABLO COCCn1nnnc1[C@@H](C(C)C)[N@@H+](Cc1ccc(C)cc1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000013498665 555423345 /nfs/dbraw/zinc/42/33/45/555423345.db2.gz PVPWEAABKNLCJQ-RUZDIDTESA-N 1 2 490.608 3.878 40 0 JHABLO CCOC(=O)Cn1nnnc1[C@@H](C(C)C)[N@H+](Cc1ccco1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000013499060 555427743 /nfs/dbraw/zinc/42/77/43/555427743.db2.gz JFZUDXPOSHOHBY-XMMPIXPASA-N 1 2 492.580 3.687 40 0 JHABLO CCOC(=O)Cn1nnnc1[C@@H](C(C)C)[N@@H+](Cc1ccco1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000013499060 555427744 /nfs/dbraw/zinc/42/77/44/555427744.db2.gz JFZUDXPOSHOHBY-XMMPIXPASA-N 1 2 492.580 3.687 40 0 JHABLO CCOc1ccc2[nH]c(=O)c(C[N@H+](CCCO)[C@@H](c3nnnn3C(C)(C)CC)C(C)C)cc2c1 ZINC000013500577 555441860 /nfs/dbraw/zinc/44/18/60/555441860.db2.gz GKKHBNDRCDKTHD-JOCHJYFZSA-N 1 2 470.618 3.640 40 0 JHABLO CCOc1ccc2[nH]c(=O)c(C[N@@H+](CCCO)[C@@H](c3nnnn3C(C)(C)CC)C(C)C)cc2c1 ZINC000013500577 555441862 /nfs/dbraw/zinc/44/18/62/555441862.db2.gz GKKHBNDRCDKTHD-JOCHJYFZSA-N 1 2 470.618 3.640 40 0 JHABLO CCC[C@@H](c1nnnn1Cc1ccco1)[N@@H+](Cc1cc2cc(C)ccc2[nH]c1=O)C[C@@H]1CCCO1 ZINC000013500885 555444887 /nfs/dbraw/zinc/44/48/87/555444887.db2.gz OJIUSQYEHOQGRM-URXFXBBRSA-N 1 2 476.581 3.987 40 0 JHABLO CCC[C@@H](c1nnnn1Cc1ccco1)[N@H+](Cc1cc2cc(C)ccc2[nH]c1=O)C[C@@H]1CCCO1 ZINC000013500885 555444890 /nfs/dbraw/zinc/44/48/90/555444890.db2.gz OJIUSQYEHOQGRM-URXFXBBRSA-N 1 2 476.581 3.987 40 0 JHABLO CCC[C@@H](c1nnnn1Cc1ccc(F)cc1)[N@H+](CCCO)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013501027 555446406 /nfs/dbraw/zinc/44/64/06/555446406.db2.gz QYDDPPVAOYPDCE-DEOSSOPVSA-N 1 2 478.572 3.736 40 0 JHABLO CCC[C@@H](c1nnnn1Cc1ccc(F)cc1)[N@@H+](CCCO)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013501027 555446409 /nfs/dbraw/zinc/44/64/09/555446409.db2.gz QYDDPPVAOYPDCE-DEOSSOPVSA-N 1 2 478.572 3.736 40 0 JHABLO Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(-n3cc[nH+]c3)cc2)c2ccccc2)cc1 ZINC000020041092 555613604 /nfs/dbraw/zinc/61/36/04/555613604.db2.gz ZRIGDNQVROLPBB-UHFFFAOYSA-N 1 2 460.559 3.692 40 0 JHABLO Cc1ccc(C)c(N(CCCC(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)S(C)(=O)=O)c1 ZINC000014399554 555805261 /nfs/dbraw/zinc/80/52/61/555805261.db2.gz QRWLZMXVRHWNKE-YRNVUSSQSA-N 1 2 469.651 3.707 40 0 JHABLO O=C(c1c[nH]c2ccccc12)[C@H](O)[C@@H](c1ccc(Cl)cc1)[NH+]1CCN(c2ncccn2)CC1 ZINC000015017727 555858943 /nfs/dbraw/zinc/85/89/43/555858943.db2.gz NDYCSJAWPGSONL-ISKFKSNPSA-N 1 2 461.953 3.718 40 0 JHABLO C[C@H](NS(=O)(=O)c1ccc(I)cc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000015022922 555864306 /nfs/dbraw/zinc/86/43/06/555864306.db2.gz HIESLVNGNUGMPP-ZDUSSCGKSA-N 1 2 453.305 3.516 40 0 JHABLO CCCCOc1ccc(C(=O)[C@@H]([C@@H](c2ccccc2)[NH+]2CCOCC2)N2CCOCC2)cc1 ZINC000022580848 555939973 /nfs/dbraw/zinc/93/99/73/555939973.db2.gz SNGHKPGBEIVJPH-CLJLJLNGSA-N 1 2 452.595 3.823 40 0 JHABLO Cc1cccc(NS(=O)(=O)c2cc(C(=O)NCc3ccc(C[NH+]4CCOCC4)cc3)ccc2C)c1 ZINC000023958541 556106955 /nfs/dbraw/zinc/10/69/55/556106955.db2.gz HDPAXOGYVWAOFM-UHFFFAOYSA-N 1 2 493.629 3.866 40 0 JHABLO Cc1ccc2cc([C@@H](c3nnnn3C3CCCCC3)N3CC[NH+](Cc4ccco4)CC3)c(=O)[nH]c2c1 ZINC000019221982 556335632 /nfs/dbraw/zinc/33/56/32/556335632.db2.gz TZUKTQFUQAGDIJ-VWLOTQADSA-N 1 2 487.608 3.828 40 0 JHABLO Cc1cc(C)c2[nH]c(=O)c([C@@H](c3nnnn3C3CCCC3)N3CC[NH+](Cc4ccco4)CC3)cc2c1 ZINC000019568095 556355008 /nfs/dbraw/zinc/35/50/08/556355008.db2.gz OSTZNKLSZAKXGY-VWLOTQADSA-N 1 2 487.608 3.747 40 0 JHABLO C[C@H](C(=O)NCc1ccc(-n2cc[nH+]c2)cc1)N(c1cc(Cl)ccc1Cl)S(C)(=O)=O ZINC000030852825 556378194 /nfs/dbraw/zinc/37/81/94/556378194.db2.gz WWQOJIIDOTZXHV-CQSZACIVSA-N 1 2 467.378 3.650 40 0 JHABLO CCOC(=O)[C@@H]1[C@H](c2cccc(OC)c2O)c2cc3c(cc2O[C@@]1(C)[NH+]1CCCC1)OCO3 ZINC000031772208 556402941 /nfs/dbraw/zinc/40/29/41/556402941.db2.gz WZSATTMCUDKXNP-OTNCWRBYSA-N 1 2 455.507 3.645 40 0 JHABLO Cc1ccc(NC(=O)CSC2=[NH+][C@@H]3CS(=O)(=O)C[C@H]3N2Cc2ccc(Cl)cc2)c(C)c1 ZINC000032639971 556459442 /nfs/dbraw/zinc/45/94/42/556459442.db2.gz OOPMMZWIKHMVGO-WOJBJXKFSA-N 1 2 478.039 3.666 40 0 JHABLO O=C(CSC1=[NH+][C@@H]2CS(=O)(=O)C[C@H]2N1Cc1ccc(Cl)cc1)Nc1cccc(Cl)c1 ZINC000032640139 556460682 /nfs/dbraw/zinc/46/06/82/556460682.db2.gz FNAGPTSAAWIZFY-QZTJIDSGSA-N 1 2 484.430 3.703 40 0 JHABLO COc1ccc2cc([C@@H](c3nnnn3CCc3ccccc3)[N@@H+]3CCC[C@@H](C)C3)c(=O)[nH]c2c1 ZINC000008582846 562940040 /nfs/dbraw/zinc/94/00/40/562940040.db2.gz BEWOHCJRIIRPBQ-KOSHJBKYSA-N 1 2 458.566 3.587 40 0 JHABLO COc1ccc2cc([C@@H](c3nnnn3CCc3ccccc3)[N@H+]3CCC[C@@H](C)C3)c(=O)[nH]c2c1 ZINC000008582846 562940042 /nfs/dbraw/zinc/94/00/42/562940042.db2.gz BEWOHCJRIIRPBQ-KOSHJBKYSA-N 1 2 458.566 3.587 40 0 JHABLO COc1cc2cc([C@H](c3nnnn3Cc3ccc(F)cc3)[NH+]3CCCCCC3)c(=O)[nH]c2cc1OC ZINC000008586290 562940867 /nfs/dbraw/zinc/94/08/67/562940867.db2.gz CLUIEZZJGGDIBJ-XMMPIXPASA-N 1 2 492.555 3.685 40 0 JHABLO CCOC(=O)Cn1nnnc1[C@@H](C(C)C)[N@H+](Cc1cccs1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000008677392 562950603 /nfs/dbraw/zinc/95/06/03/562950603.db2.gz QMOHXGDBUVALDH-HSZRJFAPSA-N 1 2 494.621 3.847 40 0 JHABLO CCOC(=O)Cn1nnnc1[C@@H](C(C)C)[N@@H+](Cc1cccs1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000008677392 562950604 /nfs/dbraw/zinc/95/06/04/562950604.db2.gz QMOHXGDBUVALDH-HSZRJFAPSA-N 1 2 494.621 3.847 40 0 JHABLO COc1ccccc1C[NH+]1CCN([C@H](c2nnnn2C2CCCC2)c2ccc(OC)c(OC)c2)CC1 ZINC000035290727 569679740 /nfs/dbraw/zinc/67/97/40/569679740.db2.gz BIKKCHFXXIKVBX-SANMLTNESA-N 1 2 492.624 3.721 40 0 JHABLO O=C1c2ccccc2C(=O)N1CCCCCc1nn2c(C[NH+]3CCCCCC3)nnc2s1 ZINC000071260624 569696117 /nfs/dbraw/zinc/69/61/17/569696117.db2.gz VHOGGDUMWGFEKQ-UHFFFAOYSA-N 1 2 452.584 3.571 40 0 JHABLO C[NH+]1CCN(C(=O)c2nn3c(c2Br)N[C@@H](c2ccccc2)C[C@H]3C(F)(F)F)CC1 ZINC000038177092 569800081 /nfs/dbraw/zinc/80/00/81/569800081.db2.gz WATDLIQOTMANPR-KGLIPLIRSA-N 1 2 472.309 3.694 40 0 JHABLO O=C1Nc2ccc(Br)cc2[C@@]12[C@@H]1C(=O)N(c3cccc(Cl)c3)C(=O)[C@@H]1[C@H]1CCC[N@@H+]12 ZINC000103523067 569835728 /nfs/dbraw/zinc/83/57/28/569835728.db2.gz GGSTUHIKEGIRMV-QSNWEANLSA-N 1 2 486.753 3.534 40 0 JHABLO O=C1Nc2ccc(Br)cc2[C@@]12[C@@H]1C(=O)N(c3cccc(Cl)c3)C(=O)[C@@H]1[C@H]1CCC[N@H+]12 ZINC000103523067 569835729 /nfs/dbraw/zinc/83/57/29/569835729.db2.gz GGSTUHIKEGIRMV-QSNWEANLSA-N 1 2 486.753 3.534 40 0 JHABLO Cc1ccc(C(=O)NCc2ccccc2-n2cc[nH+]c2)cc1S(=O)(=O)N1CCCCCC1 ZINC000216447642 569878900 /nfs/dbraw/zinc/87/89/00/569878900.db2.gz DOTVNVQJBWAXDT-UHFFFAOYSA-N 1 2 452.580 3.675 40 0 JHABLO CC[C@H](NC(=O)c1cc(S(=O)(=O)N2CC[NH+](C)CC2)ccc1C)c1ccc2c(c1)CCCC2 ZINC000223112783 569899748 /nfs/dbraw/zinc/89/97/48/569899748.db2.gz PEVNWYLXJPORCY-VWLOTQADSA-N 1 2 469.651 3.691 40 0 JHABLO CCOc1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2CC[NH+]2CCOCC2)cc1 ZINC000223153560 569901265 /nfs/dbraw/zinc/90/12/65/569901265.db2.gz NWPQEMCKMOCRJG-LOSJGSFVSA-N 1 2 477.634 3.576 40 0 JHABLO COc1ccccc1-n1cccc1[C@H]1[C@H](c2ccccn2)NC(=S)N1CCC[NH+]1CCOCC1 ZINC000223175248 569902065 /nfs/dbraw/zinc/90/20/65/569902065.db2.gz MGRNPJAMRHCVFL-DQEYMECFSA-N 1 2 477.634 3.576 40 0 JHABLO COc1ccccc1-n1cccc1[C@H]1[C@@H](c2ccccn2)NC(=S)N1CCC[NH+]1CCOCC1 ZINC000223175133 569902068 /nfs/dbraw/zinc/90/20/68/569902068.db2.gz MGRNPJAMRHCVFL-RPBOFIJWSA-N 1 2 477.634 3.576 40 0 JHABLO O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000408605689 569970840 /nfs/dbraw/zinc/97/08/40/569970840.db2.gz JWEVXUYAMUHVPT-JLHYYAGUSA-N 1 2 475.614 3.740 40 0 JHABLO O=C(CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1)NCCCn1cc[nH+]c1 ZINC000408615242 569974571 /nfs/dbraw/zinc/97/45/71/569974571.db2.gz NXOFNVUKLQFUFT-UHFFFAOYSA-N 1 2 467.378 3.592 40 0 JHABLO O=C(CN(CCc1ccccc1)S(=O)(=O)c1cc(Cl)ccc1Cl)NCCCn1cc[nH+]c1 ZINC000408626535 569980726 /nfs/dbraw/zinc/98/07/26/569980726.db2.gz ZLOMVHBWLZDRGZ-UHFFFAOYSA-N 1 2 495.432 3.630 40 0 JHABLO Cc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1C(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000408701617 570022002 /nfs/dbraw/zinc/02/20/02/570022002.db2.gz BCRKNTRPJUXWAG-RMKNXTFCSA-N 1 2 481.662 3.887 40 0 JHABLO CCOC(=O)[C@]1(Cc2ccccc2)[NH2+][C@H](c2cccs2)[C@H]2C(=O)N(c3ccccc3F)C(=O)[C@H]21 ZINC000245229682 570056212 /nfs/dbraw/zinc/05/62/12/570056212.db2.gz CYEDKSCPCAGLAV-BTKWVRSESA-N 1 2 478.545 3.882 40 0 JHABLO CCC[C@]1(C(=O)OCC)[NH2+][C@H](c2cccs2)[C@H]2C(=O)N(c3ccc(OCC)cc3)C(=O)[C@H]21 ZINC000245229909 570056288 /nfs/dbraw/zinc/05/62/88/570056288.db2.gz IGDYNVPJCWRFIT-KTIHBUSBSA-N 1 2 456.564 3.699 40 0 JHABLO CCOC(=O)[C@]1(CCSC)[NH2+][C@H](c2cccs2)[C@@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@H]21 ZINC000245229987 570056314 /nfs/dbraw/zinc/05/63/14/570056314.db2.gz JIXWTDPBVVIZQY-ISJRUSPKSA-N 1 2 458.605 3.562 40 0 JHABLO Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000248172752 570075948 /nfs/dbraw/zinc/07/59/48/570075948.db2.gz XHWPLGQVCVSGEZ-DHZHZOJOSA-N 1 2 467.635 3.641 40 0 JHABLO C[NH+](C)c1ccc(-n2cccc2/C=C2\NC(=O)N(CC(=O)Nc3ccc(Cl)cc3)C2=O)cc1 ZINC000408961611 570086182 /nfs/dbraw/zinc/08/61/82/570086182.db2.gz SYFOZTMULVSEGO-STZFKDTASA-N 1 2 463.925 3.728 40 0 JHABLO CCN(CC)C(=O)C[C@@H]1CCN2C[C@@H]1/C=C\COc1ccccc1C[N@H+](Cc1ccccn1)CC2=O ZINC000253399190 570096282 /nfs/dbraw/zinc/09/62/82/570096282.db2.gz INFDAEGCKAIVDI-UMSUMUGOSA-N 1 2 490.648 3.756 40 0 JHABLO CCN(CC)C(=O)C[C@@H]1CCN2C[C@@H]1/C=C\COc1ccccc1C[N@@H+](Cc1ccccn1)CC2=O ZINC000253399190 570096283 /nfs/dbraw/zinc/09/62/83/570096283.db2.gz INFDAEGCKAIVDI-UMSUMUGOSA-N 1 2 490.648 3.756 40 0 JHABLO COc1ccc(Cn2nnnc2[C@@H](c2cc3cc4c(cc3[nH]c2=O)OCO4)[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000253499998 570101197 /nfs/dbraw/zinc/10/11/97/570101197.db2.gz QDMVAQYEIHQARH-UPCLLVRISA-N 1 2 488.548 3.534 40 0 JHABLO COc1ccc(Cn2nnnc2[C@@H](c2cc3cc4c(cc3[nH]c2=O)OCO4)[N@H+]2CCC[C@H](C)C2)cc1 ZINC000253499998 570101199 /nfs/dbraw/zinc/10/11/99/570101199.db2.gz QDMVAQYEIHQARH-UPCLLVRISA-N 1 2 488.548 3.534 40 0 JHABLO CC[N@H+](Cc1ccccc1)[C@@H](c1nnnn1C[C@H]1CCCO1)c1cc2cc(OC)ccc2[nH]c1=O ZINC000253500025 570101250 /nfs/dbraw/zinc/10/12/50/570101250.db2.gz ZEPADLLWURPNBF-ZJSXRUAMSA-N 1 2 474.565 3.726 40 0 JHABLO CC[N@@H+](Cc1ccccc1)[C@@H](c1nnnn1C[C@H]1CCCO1)c1cc2cc(OC)ccc2[nH]c1=O ZINC000253500025 570101251 /nfs/dbraw/zinc/10/12/51/570101251.db2.gz ZEPADLLWURPNBF-ZJSXRUAMSA-N 1 2 474.565 3.726 40 0 JHABLO O=C(c1cccc(OCC[NH+]2CCOCC2)c1)N1CCC[C@@H](Cc2ccc3n[nH]cc3c2)CC1 ZINC000257211500 570111590 /nfs/dbraw/zinc/11/15/90/570111590.db2.gz BZBQFRXKYZHOMU-OAQYLSRUSA-N 1 2 462.594 3.759 40 0 JHABLO CC(C)(C)c1ccc2c(c1)N(CC(=O)N1CCC[C@H]1c1cccc(-n3cc[nH+]c3)n1)C(=O)CO2 ZINC000257223180 570114982 /nfs/dbraw/zinc/11/49/82/570114982.db2.gz DWGYAKLGBJJZIA-FQEVSTJZSA-N 1 2 459.550 3.654 40 0 JHABLO CC(C)CN1C(=O)C2(C[C@H]1Cc1ccccc1)CCN(C(=O)C[N@H+](C)Cc1ccccn1)CC2 ZINC000257223816 570115257 /nfs/dbraw/zinc/11/52/57/570115257.db2.gz DYZQLNUVGIRGGP-RUZDIDTESA-N 1 2 462.638 3.622 40 0 JHABLO CC(C)CN1C(=O)C2(C[C@H]1Cc1ccccc1)CCN(C(=O)C[N@@H+](C)Cc1ccccn1)CC2 ZINC000257223816 570115258 /nfs/dbraw/zinc/11/52/58/570115258.db2.gz DYZQLNUVGIRGGP-RUZDIDTESA-N 1 2 462.638 3.622 40 0 JHABLO COc1ccccc1[C@H]1CN(C(=O)C2(C)CCN(C(=O)c3cccc(F)c3)CC2)CC[N@@H+]1C ZINC000257231896 570117487 /nfs/dbraw/zinc/11/74/87/570117487.db2.gz GIQHIUNGCDFSOU-JOCHJYFZSA-N 1 2 453.558 3.592 40 0 JHABLO COc1ccccc1[C@H]1CN(C(=O)C2(C)CCN(C(=O)c3cccc(F)c3)CC2)CC[N@H+]1C ZINC000257231896 570117488 /nfs/dbraw/zinc/11/74/88/570117488.db2.gz GIQHIUNGCDFSOU-JOCHJYFZSA-N 1 2 453.558 3.592 40 0 JHABLO C[NH+]1CCN(c2cc(C(=O)N3CCC[C@H](c4[nH]ncc4-c4ccc(Cl)cc4)C3)ccn2)CC1 ZINC000257262265 570127086 /nfs/dbraw/zinc/12/70/86/570127086.db2.gz LKSYXBSFJNDFED-FQEVSTJZSA-N 1 2 465.001 3.897 40 0 JHABLO COc1cccc(Nc2ncccc2C(=O)N2CCOC[C@H](Cc3ccc4[nH+]ccn4c3)C2)c1 ZINC000257263860 570127686 /nfs/dbraw/zinc/12/76/86/570127686.db2.gz LRTLOBTXUHGVLV-HXUWFJFHSA-N 1 2 457.534 3.813 40 0 JHABLO Cc1nn(C)c(C)c1C[N@@H+]1CCO[C@@](COc2ccc(Cl)cc2)(CC(=O)N2CCCCC2)C1 ZINC000257284855 570134074 /nfs/dbraw/zinc/13/40/74/570134074.db2.gz PEOLVUJAHDHOLJ-VWLOTQADSA-N 1 2 475.033 3.743 40 0 JHABLO Cc1nn(C)c(C)c1C[N@H+]1CCO[C@@](COc2ccc(Cl)cc2)(CC(=O)N2CCCCC2)C1 ZINC000257284855 570134075 /nfs/dbraw/zinc/13/40/75/570134075.db2.gz PEOLVUJAHDHOLJ-VWLOTQADSA-N 1 2 475.033 3.743 40 0 JHABLO CCc1[nH+]ccn1-c1cccc([C@H]2CCCN2C(=O)CCN2C(=O)COc3ccc(Cl)cc32)n1 ZINC000257286265 570134457 /nfs/dbraw/zinc/13/44/57/570134457.db2.gz PKYIIQXUOOVLTL-LJQANCHMSA-N 1 2 479.968 3.962 40 0 JHABLO O=C(N1CCOC[C@@H](Cc2ccc3[nH+]ccn3c2)C1)C1(Cc2ccc(F)cc2)CCOCC1 ZINC000257326605 570146546 /nfs/dbraw/zinc/14/65/46/570146546.db2.gz WXVYXWDQEDZEPI-QFIPXVFZSA-N 1 2 451.542 3.530 40 0 JHABLO CCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@H]2c1ccc(Br)cc1 ZINC000261363213 570167895 /nfs/dbraw/zinc/16/78/95/570167895.db2.gz GMLOADDTZSTWKA-LJQANCHMSA-O 1 2 458.361 3.925 40 0 JHABLO CCC(=O)N1c2ccccc2-c2c(=O)[nH]c(SC)n[n+]2[C@H]1c1ccc(Br)cc1 ZINC000261364540 570168589 /nfs/dbraw/zinc/16/85/89/570168589.db2.gz LZWCERLXEBFZHN-IBGZPJMESA-O 1 2 458.361 3.925 40 0 JHABLO CCCC(=O)N1c2ccccc2-c2c(=O)[nH]c(SC)n[n+]2[C@@H]1c1ccc(OC)cc1OC ZINC000261365226 570168858 /nfs/dbraw/zinc/16/88/58/570168858.db2.gz QVBBSYMVBXWXDE-JOCHJYFZSA-O 1 2 453.544 3.569 40 0 JHABLO COc1ccc(Nc2cc(-c3cccc(OC(F)(F)F)c3)[nH+]c(NCCCO)n2)cc1F ZINC000329014735 570181616 /nfs/dbraw/zinc/18/16/16/570181616.db2.gz MWVLFKCAUASIFG-UHFFFAOYSA-N 1 2 452.408 3.572 40 0 JHABLO COc1ccc(-n2ncc3c2nc[nH+]c3SCC(=O)Nc2cc(OC)cc(OC)c2)cc1 ZINC000001346619 194099145 /nfs/dbraw/zinc/09/91/45/194099145.db2.gz PGWHGPDUDKLEOW-UHFFFAOYSA-N 1 2 451.508 3.572 40 0 JHABLO CCOC(=O)c1cccc(NC(=O)CSc2[nH+]cnc3c2cnn3-c2ccc(OC)cc2)c1 ZINC000001346627 194099151 /nfs/dbraw/zinc/09/91/51/194099151.db2.gz OQYZYRLOBIOYPQ-UHFFFAOYSA-N 1 2 463.519 3.732 40 0 JHABLO CC[C@H](c1nnnn1CCOC)[N@H+](Cc1ccc(C)cc1)Cc1cc2ccc(OC)cc2[nH]c1=O ZINC000057641195 195355229 /nfs/dbraw/zinc/35/52/29/195355229.db2.gz VZVDCEPJWLFZAF-XMMPIXPASA-N 1 2 476.581 3.632 40 0 JHABLO CC[C@H](c1nnnn1CCOC)[N@@H+](Cc1ccc(C)cc1)Cc1cc2ccc(OC)cc2[nH]c1=O ZINC000057641195 195355231 /nfs/dbraw/zinc/35/52/31/195355231.db2.gz VZVDCEPJWLFZAF-XMMPIXPASA-N 1 2 476.581 3.632 40 0 JHABLO CC(=O)N1CC2(CCCCC2)c2cc(C(=O)N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)ccc21 ZINC000096268173 130004115 /nfs/dbraw/zinc/00/41/15/130004115.db2.gz LNFOOCRMNVEQCM-UHFFFAOYSA-N 1 2 475.589 3.942 40 0 JHABLO CCOc1ccc2[nH]c(=O)c([C@@H](c3nnnn3Cc3ccc(F)cc3)[N@@H+]3CCC[C@H](C)C3)cc2c1 ZINC000006196862 521283559 /nfs/dbraw/zinc/28/35/59/521283559.db2.gz VJOJGIAHJJNDTR-XDHUDOTRSA-N 1 2 476.556 3.922 40 0 JHABLO CCOc1ccc2[nH]c(=O)c([C@@H](c3nnnn3Cc3ccc(F)cc3)[N@H+]3CCC[C@H](C)C3)cc2c1 ZINC000006196862 521283569 /nfs/dbraw/zinc/28/35/69/521283569.db2.gz VJOJGIAHJJNDTR-XDHUDOTRSA-N 1 2 476.556 3.922 40 0 JHABLO COc1ccc(C(=O)Nc2ccc(-c3noc([C@@H]4CCC[N@@H+]4Cc4ccc(CO)o4)n3)cn2)cc1 ZINC000049155217 523747049 /nfs/dbraw/zinc/74/70/49/523747049.db2.gz GFQKZYLHHODXMB-NRFANRHFSA-N 1 2 475.505 3.815 40 0 biogenic,in-vitro JHABLO COc1ccc(C(=O)Nc2ccc(-c3noc([C@@H]4CCC[N@H+]4Cc4ccc(CO)o4)n3)cn2)cc1 ZINC000049155217 523747057 /nfs/dbraw/zinc/74/70/57/523747057.db2.gz GFQKZYLHHODXMB-NRFANRHFSA-N 1 2 475.505 3.815 40 0 biogenic,in-vitro JHABLO Cc1ccc(N(CC(=O)NCc2ccc(-n3cc[nH+]c3)cc2)S(=O)(=O)c2ccccc2)cc1 ZINC000022427895 524892404 /nfs/dbraw/zinc/89/24/04/524892404.db2.gz QEYUQSUIQPKBJG-UHFFFAOYSA-N 1 2 460.559 3.692 40 0 JHABLO Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(-n3cc[nH+]c3)cc2)c2ccccc2F)cc1 ZINC000022431502 525505819 /nfs/dbraw/zinc/50/58/19/525505819.db2.gz LMTYNLQKJYBZDA-UHFFFAOYSA-N 1 2 478.549 3.832 40 0 JHABLO Cc1cc2cc([C@@H](c3nnnn3C3CCCC3)N3CC[NH+](Cc4cccnc4)CC3)c(=O)[nH]c2cc1C ZINC000020083743 525647539 /nfs/dbraw/zinc/64/75/39/525647539.db2.gz FPEFLRFTXWTLGM-SANMLTNESA-N 1 2 498.635 3.549 40 0 JHABLO C[C@H](C(=O)NCC[NH+]1CCOCC1)[C@@H]1CC[C@@]2(C)Cc3sc(-c4ccccc4)nc3[C@@H](C)[C@@H]2[C@H]1O ZINC000020504526 526051573 /nfs/dbraw/zinc/05/15/73/526051573.db2.gz CPVQCSKKMGGMDM-BDIWSRCLSA-N 1 2 497.705 3.948 40 0 biogenic,in-vitro JHABLO Cc1ccc(NC(=S)N(CC[NH+]2CCOCC2)Cc2cc3cc(C)ccc3[nH]c2=O)c(C)c1 ZINC000000884995 553823735 /nfs/dbraw/zinc/82/37/35/553823735.db2.gz OGQUMMWTLOVKPM-UHFFFAOYSA-N 1 2 464.635 3.985 40 0 JHABLO COc1ccccc1NC(=S)N(CC[NH+]1CCOCC1)Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000000931895 553870260 /nfs/dbraw/zinc/87/02/60/553870260.db2.gz UDHREMZALCNOGK-UHFFFAOYSA-N 1 2 480.634 3.685 40 0 JHABLO COc1ccc2cc([C@@H](c3nnnn3Cc3ccc(F)cc3)[N@@H+]3CCC[C@H](C)C3)c(=O)[nH]c2c1 ZINC000006283284 554526709 /nfs/dbraw/zinc/52/67/09/554526709.db2.gz GZWWWFOMGJAHBW-HJPURHCSSA-N 1 2 462.529 3.532 40 0 JHABLO COc1ccc2cc([C@@H](c3nnnn3Cc3ccc(F)cc3)[N@H+]3CCC[C@H](C)C3)c(=O)[nH]c2c1 ZINC000006283284 554526711 /nfs/dbraw/zinc/52/67/11/554526711.db2.gz GZWWWFOMGJAHBW-HJPURHCSSA-N 1 2 462.529 3.532 40 0 JHABLO COc1ccc(Cn2nnnc2[C@@H](c2cc3c(C)ccc(C)c3[nH]c2=O)[NH+]2CCCCC2)cc1 ZINC000006405780 554533575 /nfs/dbraw/zinc/53/35/75/554533575.db2.gz IWRLKUSHKUOHFD-XMMPIXPASA-N 1 2 458.566 3.764 40 0 JHABLO COc1ccc(Cn2nnnc2[C@@H](c2cc3ccc(C)cc3[nH]c2=O)[NH+]2CCC(C)CC2)cc1 ZINC000006410100 554535311 /nfs/dbraw/zinc/53/53/11/554535311.db2.gz KJXHFDBNYBGSIV-XMMPIXPASA-N 1 2 458.566 3.701 40 0 JHABLO CCOC(=O)Cn1nnnc1[C@H](C(C)C)[N@H+](Cc1cccs1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000013498555 555422165 /nfs/dbraw/zinc/42/21/65/555422165.db2.gz MAOKXZBXUPXDCT-QHCPKHFHSA-N 1 2 494.621 3.847 40 0 JHABLO CCOC(=O)Cn1nnnc1[C@H](C(C)C)[N@@H+](Cc1cccs1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000013498555 555422168 /nfs/dbraw/zinc/42/21/68/555422168.db2.gz MAOKXZBXUPXDCT-QHCPKHFHSA-N 1 2 494.621 3.847 40 0 JHABLO CCOC(=O)Cn1nnnc1[C@H](C(C)C)[N@H+](Cc1ccco1)Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000013499145 555428503 /nfs/dbraw/zinc/42/85/03/555428503.db2.gz HODNRQGUGRDCLC-DEOSSOPVSA-N 1 2 492.580 3.687 40 0 JHABLO CCOC(=O)Cn1nnnc1[C@H](C(C)C)[N@@H+](Cc1ccco1)Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000013499145 555428505 /nfs/dbraw/zinc/42/85/05/555428505.db2.gz HODNRQGUGRDCLC-DEOSSOPVSA-N 1 2 492.580 3.687 40 0 JHABLO CCC[C@@H](c1nnnn1Cc1ccccc1)[N@H+](CCCO)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013501013 555446344 /nfs/dbraw/zinc/44/63/44/555446344.db2.gz LKHDIPKWEVMWPF-QHCPKHFHSA-N 1 2 460.582 3.597 40 0 JHABLO CCC[C@@H](c1nnnn1Cc1ccccc1)[N@@H+](CCCO)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013501013 555446345 /nfs/dbraw/zinc/44/63/45/555446345.db2.gz LKHDIPKWEVMWPF-QHCPKHFHSA-N 1 2 460.582 3.597 40 0 JHABLO CC(C)[C@@H](c1nnnn1Cc1ccc(F)cc1)[NH+]1CCN(c2nc3ccccc3s2)CC1 ZINC000013504727 555464606 /nfs/dbraw/zinc/46/46/06/555464606.db2.gz BDYNWBZPEBQELH-NRFANRHFSA-N 1 2 451.575 3.990 40 0 JHABLO COc1ccc(CCn2nnnc2[C@@H](C(C)C)[NH+]2CCN(c3ccc(F)cc3)CC2)cc1OC ZINC000013505555 555466958 /nfs/dbraw/zinc/46/69/58/555466958.db2.gz HUQKDGDSHFHKEG-XMMPIXPASA-N 1 2 468.577 3.591 40 0 JHABLO CCCC[C@H](c1nnnn1CCc1ccc(OC)c(OC)c1)[NH+]1CCN(c2ccccc2)CC1 ZINC000013505565 555467001 /nfs/dbraw/zinc/46/70/01/555467001.db2.gz ADLYDNSPNAOUHV-HSZRJFAPSA-N 1 2 464.614 3.987 40 0 JHABLO C[NH+]1CCN(C(=O)c2cc3cc(N(Cc4ccc(Cl)cc4)S(C)(=O)=O)ccc3s2)CC1 ZINC000013584453 555522171 /nfs/dbraw/zinc/52/21/71/555522171.db2.gz REAOPYRMRYJKMB-UHFFFAOYSA-N 1 2 478.039 3.909 40 0 JHABLO O=C(NCc1ccc(-n2cc[nH+]c2)cc1)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1 ZINC000020106832 555640579 /nfs/dbraw/zinc/64/05/79/555640579.db2.gz LYQUPYWKRVFDFP-UHFFFAOYSA-N 1 2 458.971 3.630 40 0 JHABLO Cc1ccc(NS(=O)(=O)c2cc(C(=O)NCc3ccc(C[NH+]4CCOCC4)cc3)ccc2C)cc1 ZINC000024643375 556143201 /nfs/dbraw/zinc/14/32/01/556143201.db2.gz IGGWQLSBRLPKBI-UHFFFAOYSA-N 1 2 493.629 3.866 40 0 JHABLO C[C@H]1Cc2cc(S(=O)(=O)N3CC[NH+](Cc4ccccc4)CC3)ccc2N1C(=O)c1ccccc1 ZINC000028207064 556317919 /nfs/dbraw/zinc/31/79/19/556317919.db2.gz CEDYKBOXZQVMOC-NRFANRHFSA-N 1 2 475.614 3.785 40 0 JHABLO COC(=O)[C@@]1(Cc2ccccc2)[NH2+][C@H](c2ccccc2C)[C@@H]2C(=O)N(c3cccc(C(C)=O)c3)C(=O)[C@H]21 ZINC000019237006 556337352 /nfs/dbraw/zinc/33/73/52/556337352.db2.gz GFNLWRVFGHIACM-PYOQLBSMSA-N 1 2 496.563 3.802 40 0 JHABLO COC(=O)[C@]1(Cc2ccccc2)[NH2+][C@H](c2ccccc2C)[C@H]2C(=O)N(c3cccc(C(C)=O)c3)C(=O)[C@@H]21 ZINC000019237007 556337436 /nfs/dbraw/zinc/33/74/36/556337436.db2.gz GFNLWRVFGHIACM-JPPUBGEISA-N 1 2 496.563 3.802 40 0 JHABLO CC[C@@H](c1nnnn1C1CCCC1)N(CC[NH+]1CCOCC1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000019500584 556349573 /nfs/dbraw/zinc/34/95/73/556349573.db2.gz YMBYAHHLEBENBL-VWLOTQADSA-N 1 2 493.656 3.532 40 0 JHABLO CC[N@H+](Cc1ccccc1)[C@@H](c1nnnn1C(C)(C)C)c1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000019526625 556351479 /nfs/dbraw/zinc/35/14/79/556351479.db2.gz PYJXOTSRMOAFJK-JOCHJYFZSA-N 1 2 460.538 3.610 40 0 JHABLO CC[N@@H+](Cc1ccccc1)[C@@H](c1nnnn1C(C)(C)C)c1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000019526625 556351483 /nfs/dbraw/zinc/35/14/83/556351483.db2.gz PYJXOTSRMOAFJK-JOCHJYFZSA-N 1 2 460.538 3.610 40 0 JHABLO CCOC(=O)[C@H]1[C@@H](c2cc(OC)c(OC)c(OC)c2)c2cc3c(cc2O[C@@]1(C)[NH+]1CCCC1)OCO3 ZINC000031430174 556396848 /nfs/dbraw/zinc/39/68/48/556396848.db2.gz AYIQTEGLGSNULP-CLCZQPDDSA-N 1 2 499.560 3.957 40 0 JHABLO CCOC(=O)[C@H]1[C@@H](c2cccc(OC)c2O)c2cc3c(cc2O[C@@]1(C)[NH+]1CCCC1)OCO3 ZINC000031772207 556402975 /nfs/dbraw/zinc/40/29/75/556402975.db2.gz WZSATTMCUDKXNP-SGIRGMQISA-N 1 2 455.507 3.645 40 0 JHABLO Cc1cccc(NC(=O)CSC2=[NH+][C@H]3CS(=O)(=O)C[C@H]3N2Cc2ccc(Cl)cc2)c1C ZINC000032640288 556461901 /nfs/dbraw/zinc/46/19/01/556461901.db2.gz UMPSTVQGZVBXFZ-VQTJNVASSA-N 1 2 478.039 3.666 40 0 JHABLO CC[C@@H](c1nnnn1C[C@H]1CCCO1)[N@H+](Cc1ccccc1)Cc1cc2ccc(OC)cc2[nH]c1=O ZINC000033937001 569638370 /nfs/dbraw/zinc/63/83/70/569638370.db2.gz WVEBPGZATIOCBN-NOZRDPDXSA-N 1 2 488.592 3.856 40 0 JHABLO CC[C@@H](c1nnnn1C[C@H]1CCCO1)[N@@H+](Cc1ccccc1)Cc1cc2ccc(OC)cc2[nH]c1=O ZINC000033937001 569638372 /nfs/dbraw/zinc/63/83/72/569638372.db2.gz WVEBPGZATIOCBN-NOZRDPDXSA-N 1 2 488.592 3.856 40 0 JHABLO C[C@@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CC[NH+](C)CC2)c1)c1ccc2c(c1)CCCC2 ZINC000222983217 569896106 /nfs/dbraw/zinc/89/61/06/569896106.db2.gz QJYWTRRYYKAHEA-QGZVFWFLSA-N 1 2 476.042 3.646 40 0 JHABLO O=C(CCc1ccccc1)N(Cc1ccccc1)[C@H](Cc1ccccc1)C(=O)NCC[NH+]1CCOCC1 ZINC000223069450 569898485 /nfs/dbraw/zinc/89/84/85/569898485.db2.gz IPGRMVWVMDNMDB-GDLZYMKVSA-N 1 2 499.655 3.708 40 0 JHABLO Fc1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2CC[NH+]2CCOCC2)cc1Cl ZINC000223131896 569900551 /nfs/dbraw/zinc/90/05/51/569900551.db2.gz QWJAFPNBPNCOMG-DHIUTWEWSA-N 1 2 486.016 3.970 40 0 JHABLO Cc1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC[NH+]2CCOCC2)cc1 ZINC000223193890 569902926 /nfs/dbraw/zinc/90/29/26/569902926.db2.gz FSTZDMRLLUFWEF-LOSJGSFVSA-N 1 2 461.635 3.876 40 0 JHABLO COc1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC[NH+]2CCOCC2)cc1 ZINC000223196076 569902998 /nfs/dbraw/zinc/90/29/98/569902998.db2.gz MSWNZTPJRMEYRV-LOSJGSFVSA-N 1 2 477.634 3.576 40 0 JHABLO COc1cc(C)c([C@@H](C)NC(=O)c2cc(S(=O)(=O)N3CC[NH+](C)CC3)ccc2C)cc1C(C)C ZINC000223357990 569908499 /nfs/dbraw/zinc/90/84/99/569908499.db2.gz JTMFIKZKBCUAMJ-HXUWFJFHSA-N 1 2 487.666 3.863 40 0 JHABLO COc1cc(C)c([C@H](C)NC(=O)c2cc(S(=O)(=O)N3CC[NH+](C)CC3)ccc2C)cc1C(C)C ZINC000223358050 569908590 /nfs/dbraw/zinc/90/85/90/569908590.db2.gz JTMFIKZKBCUAMJ-FQEVSTJZSA-N 1 2 487.666 3.863 40 0 JHABLO CC(C)C(=O)N(Cc1ccc(Cl)cc1)[C@@H](C(=O)NCC[NH+]1CCOCC1)c1ccccc1 ZINC000223420338 569910667 /nfs/dbraw/zinc/91/06/67/569910667.db2.gz NZSDELFPMALMJJ-HSZRJFAPSA-N 1 2 458.002 3.514 40 0 JHABLO O=C(Cc1ccccc1)N(Cc1ccc(F)cc1)[C@@H](C(=O)NCC[NH+]1CCOCC1)c1ccccc1 ZINC000223492946 569913350 /nfs/dbraw/zinc/91/33/50/569913350.db2.gz ZRGPRSATSKSUIX-MUUNZHRXSA-N 1 2 489.591 3.587 40 0 JHABLO O=C(CN(c1ccccc1)S(=O)(=O)c1ccc(F)cc1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000408617074 569975936 /nfs/dbraw/zinc/97/59/36/569975936.db2.gz FBWPPLJBNWPIPM-JXMROGBWSA-N 1 2 493.604 3.879 40 0 JHABLO O=C(CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccccc1)NCCCn1cc[nH+]c1 ZINC000408617557 569976289 /nfs/dbraw/zinc/97/62/89/569976289.db2.gz DCGHFSYJFFJIHL-UHFFFAOYSA-N 1 2 467.378 3.592 40 0 JHABLO Cc1cc(C)c(S(=O)(=O)N(CC(=O)NCCCn2cc[nH+]c2)Cc2ccc(Cl)cc2)c(C)c1 ZINC000408620084 569977565 /nfs/dbraw/zinc/97/75/65/569977565.db2.gz JXFWMFLEZWKZNF-UHFFFAOYSA-N 1 2 489.041 3.859 40 0 JHABLO CS(=O)(=O)N(CC(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1)c1ccc(Cl)cc1Cl ZINC000408631014 569982736 /nfs/dbraw/zinc/98/27/36/569982736.db2.gz ZCYAUAYAIMUETO-VMPITWQZSA-N 1 2 482.433 3.617 40 0 JHABLO Cc1ccc(NC(=O)CCc2c(Cl)cccc2Cl)cc1S(=O)(=O)N1CC[NH+](C)CC1 ZINC000225362465 569993006 /nfs/dbraw/zinc/99/30/06/569993006.db2.gz GYLYMYXXQXTNEB-UHFFFAOYSA-N 1 2 470.422 3.809 40 0 JHABLO O=C(Cn1ccc(=O)c2cc(Br)ccc21)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000225731640 570018513 /nfs/dbraw/zinc/01/85/13/570018513.db2.gz FSCXMANKCQEODU-QPJJXVBHSA-N 1 2 466.379 3.622 40 0 JHABLO COc1ccc(-c2noc(CCC(=O)N3CC[NH+](C/C=C/c4ccccc4)CC3)n2)cc1OC ZINC000225826591 570023762 /nfs/dbraw/zinc/02/37/62/570023762.db2.gz RFJVJDWABZFFJY-RMKNXTFCSA-N 1 2 462.550 3.544 40 0 JHABLO CC[C@H](c1nnnn1C[C@@H]1CCCO1)[N@@H+](Cc1cc2cc(C)cc(C)c2[nH]c1=O)C[C@H]1CCCO1 ZINC000253500399 570101694 /nfs/dbraw/zinc/10/16/94/570101694.db2.gz JORQLLYKFZWWQW-XPWALMASSA-N 1 2 480.613 3.855 40 0 JHABLO CC[C@H](c1nnnn1C[C@@H]1CCCO1)[N@H+](Cc1cc2cc(C)cc(C)c2[nH]c1=O)C[C@H]1CCCO1 ZINC000253500399 570101695 /nfs/dbraw/zinc/10/16/95/570101695.db2.gz JORQLLYKFZWWQW-XPWALMASSA-N 1 2 480.613 3.855 40 0 JHABLO CCC[C@H](c1nnnn1C[C@H]1CCCO1)[N@@H+](Cc1cc2cc(C)ccc2[nH]c1=O)C[C@H]1CCCO1 ZINC000253500512 570102266 /nfs/dbraw/zinc/10/22/66/570102266.db2.gz SMKSHAPFFYGIPR-CQOQZXRMSA-N 1 2 480.613 3.937 40 0 JHABLO CCC[C@H](c1nnnn1C[C@H]1CCCO1)[N@H+](Cc1cc2cc(C)ccc2[nH]c1=O)C[C@H]1CCCO1 ZINC000253500512 570102267 /nfs/dbraw/zinc/10/22/67/570102267.db2.gz SMKSHAPFFYGIPR-CQOQZXRMSA-N 1 2 480.613 3.937 40 0 JHABLO O=C(c1cccc(OCC[NH+]2CCOCC2)c1)N1CCC[C@H](Cc2cccn3nccc23)CC1 ZINC000257252564 570123838 /nfs/dbraw/zinc/12/38/38/570123838.db2.gz JVEYLHAACKLXLB-QFIPXVFZSA-N 1 2 462.594 3.530 40 0 JHABLO CC(=O)N1CCN(CC(=O)Nc2ccc3c(c2)[nH+]c(C)n3C)[C@H](c2ccc(OC(C)C)cc2)C1 ZINC000257293180 570136567 /nfs/dbraw/zinc/13/65/67/570136567.db2.gz QOLGXUDTGPBKTR-VWLOTQADSA-N 1 2 463.582 3.513 40 0 JHABLO Cc1cc(N2CCC[C@](O)(CN(C)C(=O)c3ccc4c(c3)ncn4C(C)C)C2)c2cnccc2[nH+]1 ZINC000257297174 570137644 /nfs/dbraw/zinc/13/76/44/570137644.db2.gz RGFHSSCXAPBCMC-MHZLTWQESA-N 1 2 472.593 3.972 40 0 JHABLO COC(=O)c1ccnc(Nc2cccc(C3CC[NH+](CC(=O)Nc4ccccc4F)CC3)n2)c1 ZINC000257317251 570143670 /nfs/dbraw/zinc/14/36/70/570143670.db2.gz VIYUBXZRGQDENQ-UHFFFAOYSA-N 1 2 463.513 3.964 40 0 JHABLO CNC(=O)c1sc2ncccc2c1[C@H]1C[N@H+](Cc2cn(C)c3cc(OC)ccc23)CCO1 ZINC000257319467 570144216 /nfs/dbraw/zinc/14/42/16/570144216.db2.gz VSRGRSZURGQVFF-HXUWFJFHSA-N 1 2 450.564 3.730 40 0 JHABLO CNC(=O)c1sc2ncccc2c1[C@H]1C[N@@H+](Cc2cn(C)c3cc(OC)ccc23)CCO1 ZINC000257319467 570144218 /nfs/dbraw/zinc/14/42/18/570144218.db2.gz VSRGRSZURGQVFF-HXUWFJFHSA-N 1 2 450.564 3.730 40 0 JHABLO O=C(c1ccccc1C[NH+]1CCOCC1)N1CC[C@H]2[C@H]1CCCCC(=O)N2Cc1ccccc1 ZINC000257336247 570149308 /nfs/dbraw/zinc/14/93/08/570149308.db2.gz YNQZMUQCKUPWQS-FTJBHMTQSA-N 1 2 461.606 3.705 40 0 JHABLO COc1ccc([C@@H]2CN(C(=O)C3(C)CCN(C(=O)CCc4ccccc4)CC3)CC[N@@H+]2C)cc1 ZINC000257343231 570151288 /nfs/dbraw/zinc/15/12/88/570151288.db2.gz ZSADJQOGESDAFR-VWLOTQADSA-N 1 2 463.622 3.772 40 0 JHABLO COc1ccc([C@@H]2CN(C(=O)C3(C)CCN(C(=O)CCc4ccccc4)CC3)CC[N@H+]2C)cc1 ZINC000257343231 570151290 /nfs/dbraw/zinc/15/12/90/570151290.db2.gz ZSADJQOGESDAFR-VWLOTQADSA-N 1 2 463.622 3.772 40 0 JHABLO CCC(=O)N1c2ccccc2-c2c(=O)[nH]c(SC)n[n+]2[C@H]1c1cc(Cl)c(OC)c(OC)c1 ZINC000261362141 570167555 /nfs/dbraw/zinc/16/75/55/570167555.db2.gz CHNODTORXLUSRY-NRFANRHFSA-O 1 2 473.962 3.833 40 0 JHABLO CCCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@@H]2c1cc(OC)c(OC)cc1OC ZINC000261362345 570167582 /nfs/dbraw/zinc/16/75/82/570167582.db2.gz IKWMMLTUHHQBJQ-DEOSSOPVSA-O 1 2 497.597 3.968 40 0 JHABLO CCC(=O)N1c2ccccc2-c2c(=O)[nH]c(SC)n[n+]2[C@@H]1c1cc(OC)ccc1Br ZINC000261365724 570169226 /nfs/dbraw/zinc/16/92/26/570169226.db2.gz UWDHSARKKQNEKO-HXUWFJFHSA-O 1 2 488.387 3.933 40 0 JHABLO CCc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cccn2-c2ccc([NH+](C)C)cc2)C1=O ZINC000409235361 570179401 /nfs/dbraw/zinc/17/94/01/570179401.db2.gz PAMMJUDUKLKDSC-XQNSMLJCSA-N 1 2 457.534 3.637 40 0 JHABLO OCCNc1nc(NCc2ccc(Br)cc2)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000328989618 570180808 /nfs/dbraw/zinc/18/08/08/570180808.db2.gz IKHKYEDIIVIMBJ-UHFFFAOYSA-N 1 2 483.288 3.665 40 0 JHABLO OCCCNc1nc(NCc2cccc(Cl)c2)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000329045526 570182924 /nfs/dbraw/zinc/18/29/24/570182924.db2.gz TWFKXXSKOSGGSR-UHFFFAOYSA-N 1 2 452.864 3.946 40 0 JHABLO CCOc1ccc(S(=O)(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1NC(=O)c1ccccc1 ZINC000408561173 570200820 /nfs/dbraw/zinc/20/08/20/570200820.db2.gz RCEDCUNESWYGMP-UHFFFAOYSA-N 1 2 479.602 3.844 40 0 JHABLO CCc1ccc2[nH]c(=O)c([C@H](c3nnnn3Cc3ccc(OC)cc3)[NH+]3CCC(C)CC3)cc2c1 ZINC000006198340 194420806 /nfs/dbraw/zinc/42/08/06/194420806.db2.gz ZQMNKEQBKPGMDJ-RUZDIDTESA-N 1 2 472.593 3.955 40 0 JHABLO O=C(C[NH+]1CCC(NC(=O)c2ccccc2Cl)CC1)Nc1cccc(I)c1 ZINC000012644472 195073135 /nfs/dbraw/zinc/07/31/35/195073135.db2.gz OIOUJLGAYKXLSH-UHFFFAOYSA-N 1 2 497.764 3.778 40 0 JHABLO COc1cc2cc([C@@H](c3nnnn3Cc3ccc(F)cc3)[NH+]3CCC(C)CC3)c(=O)[nH]c2cc1OC ZINC000006148923 523060003 /nfs/dbraw/zinc/06/00/03/523060003.db2.gz WWVDTBZDNNRICR-DEOSSOPVSA-N 1 2 492.555 3.541 40 0 JHABLO CS(=O)(=O)N(CC(=O)NCc1ccccc1-n1cc[nH+]c1)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000044946353 525152654 /nfs/dbraw/zinc/15/26/54/525152654.db2.gz OUWXJPDRFQNPLY-UHFFFAOYSA-N 1 2 486.903 3.627 40 0 JHABLO O=C(COc1ccc(S(=O)(=O)Nc2ccccc2)cc1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000016450914 526967883 /nfs/dbraw/zinc/96/78/83/526967883.db2.gz YVQIAHAJWQFMQQ-JXMROGBWSA-N 1 2 491.613 3.724 40 0 JHABLO CCc1ccccc1NC(=S)N(CC[NH+]1CCOCC1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000000894877 553830935 /nfs/dbraw/zinc/83/09/35/553830935.db2.gz IGEPPJICZTYUQD-UHFFFAOYSA-N 1 2 464.635 3.930 40 0 JHABLO CCc1ccc2[nH]c(=O)c(CN(CC[NH+]3CCOCC3)C(=S)Nc3ccccc3OC)cc2c1 ZINC000000916844 553848189 /nfs/dbraw/zinc/84/81/89/553848189.db2.gz LFLVYUXTDGLUGN-UHFFFAOYSA-N 1 2 480.634 3.630 40 0 JHABLO Cc1cc2cc(CN(CC[NH+]3CCOCC3)C(=S)NCc3ccccc3)c(=O)[nH]c2cc1Cl ZINC000000931583 553869885 /nfs/dbraw/zinc/86/98/85/553869885.db2.gz GJFPTLDFDCUZRP-UHFFFAOYSA-N 1 2 485.053 3.699 40 0 JHABLO Cc1ccc(C)c(NC(=O)CSc2nnc(CC[NH+]3CCOCC3)n2-c2ccc(F)cc2)c1 ZINC000013452805 555400895 /nfs/dbraw/zinc/40/08/95/555400895.db2.gz CLRVCKLHKGYLEH-UHFFFAOYSA-N 1 2 469.586 3.629 40 0 JHABLO CCOC(=O)Cn1nnnc1[C@H](CC)[N@H+](Cc1ccccc1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013494712 555405903 /nfs/dbraw/zinc/40/59/03/555405903.db2.gz JXPFMFLIERIBJR-QHCPKHFHSA-N 1 2 488.592 3.848 40 0 JHABLO CCOC(=O)Cn1nnnc1[C@H](CC)[N@@H+](Cc1ccccc1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013494712 555405905 /nfs/dbraw/zinc/40/59/05/555405905.db2.gz JXPFMFLIERIBJR-QHCPKHFHSA-N 1 2 488.592 3.848 40 0 JHABLO COCCn1nnnc1[C@@H](C(C)C)[N@H+](Cc1cccs1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000013498692 555423375 /nfs/dbraw/zinc/42/33/75/555423375.db2.gz ONTPTMGJVSPIFK-JOCHJYFZSA-N 1 2 482.610 3.631 40 0 JHABLO COCCn1nnnc1[C@@H](C(C)C)[N@@H+](Cc1cccs1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000013498692 555423377 /nfs/dbraw/zinc/42/33/77/555423377.db2.gz ONTPTMGJVSPIFK-JOCHJYFZSA-N 1 2 482.610 3.631 40 0 JHABLO CCC[C@H](c1nnnn1C1CCCC1)[N@H+](CCCO)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000013499603 555433493 /nfs/dbraw/zinc/43/34/93/555433493.db2.gz JLNOTGCDNOPHRT-HSZRJFAPSA-N 1 2 452.603 3.972 40 0 JHABLO CCC[C@H](c1nnnn1C1CCCC1)[N@@H+](CCCO)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000013499603 555433495 /nfs/dbraw/zinc/43/34/95/555433495.db2.gz JLNOTGCDNOPHRT-HSZRJFAPSA-N 1 2 452.603 3.972 40 0 JHABLO CCC[C@@H](c1nnnn1C(C)(C)C)[N@H+](CCCN1CCOCC1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013500130 555436943 /nfs/dbraw/zinc/43/69/43/555436943.db2.gz NOEIDMSLEKPTEP-QHCPKHFHSA-N 1 2 495.672 3.644 40 0 JHABLO CCC[C@@H](c1nnnn1C(C)(C)C)[N@@H+](CCCN1CCOCC1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013500130 555436945 /nfs/dbraw/zinc/43/69/45/555436945.db2.gz NOEIDMSLEKPTEP-QHCPKHFHSA-N 1 2 495.672 3.644 40 0 JHABLO CCC[C@H](c1nnnn1C[C@@H]1CCCO1)[N@@H+](Cc1cc2cc(C)ccc2[nH]c1=O)C[C@@H]1CCCO1 ZINC000013500882 555444770 /nfs/dbraw/zinc/44/47/70/555444770.db2.gz SMKSHAPFFYGIPR-WPFOTENUSA-N 1 2 480.613 3.524 40 0 JHABLO CCC[C@H](c1nnnn1C[C@@H]1CCCO1)[N@H+](Cc1cc2cc(C)ccc2[nH]c1=O)C[C@@H]1CCCO1 ZINC000013500882 555444775 /nfs/dbraw/zinc/44/47/75/555444775.db2.gz SMKSHAPFFYGIPR-WPFOTENUSA-N 1 2 480.613 3.524 40 0 JHABLO CCC[C@@H](c1nnnn1Cc1ccc(F)cc1)[N@H+](CCCO)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013501015 555446350 /nfs/dbraw/zinc/44/63/50/555446350.db2.gz WAHAXEZCXQHGBB-QHCPKHFHSA-N 1 2 478.572 3.736 40 0 JHABLO CCC[C@@H](c1nnnn1Cc1ccc(F)cc1)[N@@H+](CCCO)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013501015 555446352 /nfs/dbraw/zinc/44/63/52/555446352.db2.gz WAHAXEZCXQHGBB-QHCPKHFHSA-N 1 2 478.572 3.736 40 0 JHABLO CCC[C@H](c1nnnn1C1CCCC1)[N@H+](CCCO)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013501038 555446873 /nfs/dbraw/zinc/44/68/73/555446873.db2.gz HODLYPQLNRARKE-JOCHJYFZSA-N 1 2 452.603 3.972 40 0 JHABLO CCC[C@H](c1nnnn1C1CCCC1)[N@@H+](CCCO)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013501038 555446877 /nfs/dbraw/zinc/44/68/77/555446877.db2.gz HODLYPQLNRARKE-JOCHJYFZSA-N 1 2 452.603 3.972 40 0 JHABLO CC(C)C[C@H](c1nnnn1C[C@H]1CCCO1)[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000013504340 555463605 /nfs/dbraw/zinc/46/36/05/555463605.db2.gz FDBKSYLIJIQCBT-WOJBJXKFSA-N 1 2 452.525 3.780 40 0 JHABLO COc1ccc(CCn2nnnc2[C@H](CC(C)C)[NH+]2CCN(c3ccccc3OC)CC2)cc1OC ZINC000013505582 555467229 /nfs/dbraw/zinc/46/72/29/555467229.db2.gz MGMMUFNRINGGCR-QHCPKHFHSA-N 1 2 494.640 3.851 40 0 JHABLO O=C(Nc1ccc(C[NH+]2CCOCC2)cc1)c1ccc2c(c1)[nH]c(=O)n2CCc1ccccc1 ZINC000013565286 555501513 /nfs/dbraw/zinc/50/15/13/555501513.db2.gz WTCDMUBBASNGFV-UHFFFAOYSA-N 1 2 456.546 3.657 40 0 JHABLO CCN(c1ccc2sc(C(=O)N3CC[NH+](C)CC3)cc2c1)S(=O)(=O)c1ccc(OC)cc1 ZINC000013609880 555533426 /nfs/dbraw/zinc/53/34/26/555533426.db2.gz ZTKHKSKHGICWMT-UHFFFAOYSA-N 1 2 473.620 3.513 40 0 JHABLO COc1ccccc1N(CC(=O)NCc1ccc(-n2cc[nH+]c2)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000020050654 555620090 /nfs/dbraw/zinc/62/00/90/555620090.db2.gz WMSSJEBTALGACO-UHFFFAOYSA-N 1 2 490.585 3.701 40 0 JHABLO Cc1ccc(C)c2[nH]c(=O)c(C[N@H+](CCc3ccccc3)Cc3nnnn3C[C@@H]3CCCO3)cc12 ZINC000020081728 555630482 /nfs/dbraw/zinc/63/04/82/555630482.db2.gz ODPALGPLADJYMJ-QHCPKHFHSA-N 1 2 472.593 3.555 40 0 JHABLO Cc1ccc(C)c2[nH]c(=O)c(C[N@@H+](CCc3ccccc3)Cc3nnnn3C[C@@H]3CCCO3)cc12 ZINC000020081728 555630485 /nfs/dbraw/zinc/63/04/85/555630485.db2.gz ODPALGPLADJYMJ-QHCPKHFHSA-N 1 2 472.593 3.555 40 0 JHABLO Cc1c(/N=c2\scc(-c3ccccc3)n2CC[NH+]2CCOCC2)c(=O)n(-c2ccccc2)n1C ZINC000015224380 555886075 /nfs/dbraw/zinc/88/60/75/555886075.db2.gz RCVZRFUAJUBBEX-RQZHXJHFSA-N 1 2 475.618 3.579 40 0 JHABLO COc1cc2cc(C[N@H+](Cc3nnnn3Cc3ccccc3)C3CCCC3)c(=O)[nH]c2cc1OC ZINC000013033571 556232027 /nfs/dbraw/zinc/23/20/27/556232027.db2.gz FYMVQTOVYHMHRO-UHFFFAOYSA-N 1 2 474.565 3.525 40 0 JHABLO COc1cc2cc(C[N@@H+](Cc3nnnn3Cc3ccccc3)C3CCCC3)c(=O)[nH]c2cc1OC ZINC000013033571 556232030 /nfs/dbraw/zinc/23/20/30/556232030.db2.gz FYMVQTOVYHMHRO-UHFFFAOYSA-N 1 2 474.565 3.525 40 0 JHABLO CC[C@H](c1nnnn1C1CCCCC1)[N@H+](CCCO)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000013064688 556262260 /nfs/dbraw/zinc/26/22/60/556262260.db2.gz NTXPSZYGBYBMFU-HSZRJFAPSA-N 1 2 452.603 3.972 40 0 JHABLO CC[C@H](c1nnnn1C1CCCCC1)[N@@H+](CCCO)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000013064688 556262262 /nfs/dbraw/zinc/26/22/62/556262262.db2.gz NTXPSZYGBYBMFU-HSZRJFAPSA-N 1 2 452.603 3.972 40 0 JHABLO C=C/C(=C\C=C/C)S(=O)(=O)N1CC[NH+](C[C@H](O)COc2ccc(-c3ccccc3)cc2)CC1 ZINC000027530767 556291039 /nfs/dbraw/zinc/29/10/39/556291039.db2.gz GBOYMIQVSAXCCB-XKKZEPERSA-N 1 2 468.619 3.687 40 0 JHABLO O=c1[nH]c2cc3c(cc2cc1C[N@H+](CCc1ccccc1)Cc1nnnn1Cc1ccccc1)OCO3 ZINC000019371148 556346914 /nfs/dbraw/zinc/34/69/14/556346914.db2.gz IMCRUTKWMLVKER-UHFFFAOYSA-N 1 2 494.555 3.537 40 0 JHABLO O=c1[nH]c2cc3c(cc2cc1C[N@@H+](CCc1ccccc1)Cc1nnnn1Cc1ccccc1)OCO3 ZINC000019371148 556346922 /nfs/dbraw/zinc/34/69/22/556346922.db2.gz IMCRUTKWMLVKER-UHFFFAOYSA-N 1 2 494.555 3.537 40 0 JHABLO C[C@@H]1Cc2ccccc2N1C(=O)c1ccc(S(=O)(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000019498275 556348941 /nfs/dbraw/zinc/34/89/41/556348941.db2.gz QPIFONHFMWRECB-OAQYLSRUSA-N 1 2 475.614 3.785 40 0 JHABLO CCC(C)(C)n1nnnc1[C@@H](c1ccc(C)cc1)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000019499675 556349591 /nfs/dbraw/zinc/34/95/91/556349591.db2.gz OLLAAICHBRZBRJ-XMMPIXPASA-N 1 2 462.598 3.763 40 0 JHABLO CCC(C)(C)n1nnnc1[C@H](c1ccc(C)cc1)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000019499674 556349611 /nfs/dbraw/zinc/34/96/11/556349611.db2.gz OLLAAICHBRZBRJ-DEOSSOPVSA-N 1 2 462.598 3.763 40 0 JHABLO CCOc1ccc2[nH]c(=O)c(CN(CC[NH+]3CCOCC3)C(=O)Nc3ccccc3Cl)cc2c1 ZINC000019519932 556350825 /nfs/dbraw/zinc/35/08/25/556350825.db2.gz NRCCDXGLVVMWSG-UHFFFAOYSA-N 1 2 484.984 3.947 40 0 JHABLO CC[N@H+](Cc1ccccc1)[C@H](c1nnnn1C1CCCC1)c1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000019526628 556351561 /nfs/dbraw/zinc/35/15/61/556351561.db2.gz NWBOMQLWUSVANM-DEOSSOPVSA-N 1 2 472.549 3.970 40 0 JHABLO CC[N@@H+](Cc1ccccc1)[C@H](c1nnnn1C1CCCC1)c1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000019526628 556351564 /nfs/dbraw/zinc/35/15/64/556351564.db2.gz NWBOMQLWUSVANM-DEOSSOPVSA-N 1 2 472.549 3.970 40 0 JHABLO CCOC(=O)[C@H]1[C@@H](c2ccc(N(C)C)cc2)c2cc3c(cc2O[C@@]1(C)[NH+]1CCCC1)OCO3 ZINC000031772000 556402894 /nfs/dbraw/zinc/40/28/94/556402894.db2.gz ZRDRXBHVGVGLEY-BFLUCZKCSA-N 1 2 452.551 3.997 40 0 JHABLO O=C(CSC1=[NH+][C@H]2CS(=O)(=O)C[C@@H]2N1Cc1ccc(Cl)cc1)Nc1cccc(Cl)c1 ZINC000032640138 556460618 /nfs/dbraw/zinc/46/06/18/556460618.db2.gz FNAGPTSAAWIZFY-ROUUACIJSA-N 1 2 484.430 3.703 40 0 JHABLO CC(C)n1c[nH+]c2c1[C@@H](C(=O)N1CCN(c3ccccc3)CC1)N(C(=O)c1ccccc1)CC2 ZINC000096147285 569736553 /nfs/dbraw/zinc/73/65/53/569736553.db2.gz JULNEHWZCHOXNI-VWLOTQADSA-N 1 2 457.578 3.552 40 0 JHABLO O=C([C@H]1CC[C@H](Cn2cnnn2)CC1)N1CC[NH+](C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000101969177 569808502 /nfs/dbraw/zinc/80/85/02/569808502.db2.gz TUTLQHALVMSIFJ-IQGASKDCSA-N 1 2 480.563 3.692 40 0 JHABLO Fc1ccccc1-n1cccc1[C@H]1[C@@H](c2ccccn2)NC(=S)N1CCC[NH+]1CCOCC1 ZINC000223194542 569902922 /nfs/dbraw/zinc/90/29/22/569902922.db2.gz KEQOMJJLQYNLQO-RPWUZVMVSA-N 1 2 465.598 3.706 40 0 JHABLO S=C1N[C@H](c2ccccn2)[C@H](c2cccn2-c2ccc(Cl)cn2)N1CCC[NH+]1CCOCC1 ZINC000223198354 569903115 /nfs/dbraw/zinc/90/31/15/569903115.db2.gz XTGDNIRYLLLAST-PKTZIBPZSA-N 1 2 483.041 3.616 40 0 JHABLO COc1cc(C)c([C@@H](C)NC(=O)c2ccc(CS(=O)(=O)N3CC[NH+](C)CC3)cc2)cc1C(C)C ZINC000223356821 569908534 /nfs/dbraw/zinc/90/85/34/569908534.db2.gz ZGABHRPUKWYPKR-HXUWFJFHSA-N 1 2 487.666 3.695 40 0 JHABLO O=C(COc1ccc(S(=O)(=O)Nc2ccc(Cl)c(Cl)c2)cc1)NCCCn1cc[nH+]c1 ZINC000408594812 569965745 /nfs/dbraw/zinc/96/57/45/569965745.db2.gz QVBPZERXMCKPGB-UHFFFAOYSA-N 1 2 483.377 3.576 40 0 JHABLO O=C([C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000408597755 569967621 /nfs/dbraw/zinc/96/76/21/569967621.db2.gz XXQVXLRQGLQQBE-YKNILIKBSA-N 1 2 488.053 3.598 40 0 JHABLO Cc1ccc(S(=O)(=O)N(CC(=O)NCCCn2cc[nH+]c2)c2cccc(C(F)(F)F)c2)cc1 ZINC000408627354 569981175 /nfs/dbraw/zinc/98/11/75/569981175.db2.gz ZMQCBWHQJJBEBZ-UHFFFAOYSA-N 1 2 480.512 3.612 40 0 JHABLO COc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1C(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000408704217 570023806 /nfs/dbraw/zinc/02/38/06/570023806.db2.gz YQBRFELRBWQKNJ-RMKNXTFCSA-N 1 2 497.661 3.587 40 0 JHABLO CCC[C@]1(C(=O)OCC)[NH2+][C@H](c2cccs2)[C@@H]2C(=O)N(c3ccc(OCC)cc3)C(=O)[C@H]21 ZINC000245229910 570056292 /nfs/dbraw/zinc/05/62/92/570056292.db2.gz IGDYNVPJCWRFIT-ZSTWQFLISA-N 1 2 456.564 3.699 40 0 JHABLO O=C(c1ccccc1C[NH+]1CCOCC1)N1CCC[C@]2(C[C@@H](Oc3cccc(F)c3)CO2)C1 ZINC000257226610 570116172 /nfs/dbraw/zinc/11/61/72/570116172.db2.gz FLIQYTKIEGJXNX-BVAGGSTKSA-N 1 2 454.542 3.501 40 0 JHABLO CC1(C)CCC2(CC[NH+](CC(=O)Nc3nc4ccc(Cl)cc4s3)CC2)CN1S(C)(=O)=O ZINC000257232605 570117790 /nfs/dbraw/zinc/11/77/90/570117790.db2.gz GLPQCYYZLYTIHN-UHFFFAOYSA-N 1 2 485.075 3.804 40 0 JHABLO CNc1nc([C@H]2CCCCN2C(=O)CCCn2c(C)[nH+]c3ccccc32)nc2c1CCN(C(C)=O)C2 ZINC000257277768 570132042 /nfs/dbraw/zinc/13/20/42/570132042.db2.gz NZGXDKLRLUZTSJ-XMMPIXPASA-N 1 2 489.624 3.615 40 0 JHABLO CC1(C)CCC2(CC[NH+](CC(=O)Nc3cccc(C(F)(F)F)c3)CC2)CN1S(C)(=O)=O ZINC000257287161 570134775 /nfs/dbraw/zinc/13/47/75/570134775.db2.gz POTOWUKXDUBDQF-UHFFFAOYSA-N 1 2 461.550 3.560 40 0 JHABLO CS(=O)(=O)c1c[nH]nc1C[C@H]1CCC[N@H+](Cc2ccccc2OCc2cccc(F)c2)C1 ZINC000257292948 570136379 /nfs/dbraw/zinc/13/63/79/570136379.db2.gz QNOQUSVKPHPJQQ-GOSISDBHSA-N 1 2 457.571 3.986 40 0 JHABLO CS(=O)(=O)c1c[nH]nc1C[C@H]1CCC[N@@H+](Cc2ccccc2OCc2cccc(F)c2)C1 ZINC000257292948 570136380 /nfs/dbraw/zinc/13/63/80/570136380.db2.gz QNOQUSVKPHPJQQ-GOSISDBHSA-N 1 2 457.571 3.986 40 0 JHABLO Cc1cc2[nH+]c(CCC(=O)N(C)C[C@]3(O)CCCN(c4ccnc5cccnc54)C3)[nH]c2c(C)c1 ZINC000257299537 570138197 /nfs/dbraw/zinc/13/81/97/570138197.db2.gz RQLMGUNPNMDPLL-HHHXNRCGSA-N 1 2 472.593 3.545 40 0 JHABLO C[C@@]1(C2CCN(C(=O)c3cccc(Cn4cc[nH+]c4)c3)CC2)CN(Cc2ccccc2)C(=O)CO1 ZINC000257307822 570140758 /nfs/dbraw/zinc/14/07/58/570140758.db2.gz TUHJMXWSMKVFEC-NDEPHWFRSA-N 1 2 472.589 3.601 40 0 JHABLO O=C(N1CCOC[C@H](Cc2ccc3[nH+]ccn3c2)C1)C1(Cc2ccc(F)cc2)CCOCC1 ZINC000257326604 570146524 /nfs/dbraw/zinc/14/65/24/570146524.db2.gz WXVYXWDQEDZEPI-JOCHJYFZSA-N 1 2 451.542 3.530 40 0 JHABLO COc1ccc([C@H]2CN(C(=O)C3(C)CCN(C(=O)Cc4ccccc4F)CC3)CC[N@@H+]2C)cc1 ZINC000257333598 570148544 /nfs/dbraw/zinc/14/85/44/570148544.db2.gz YCGALTDRVDRZTN-XMMPIXPASA-N 1 2 467.585 3.521 40 0 JHABLO COc1ccc([C@H]2CN(C(=O)C3(C)CCN(C(=O)Cc4ccccc4F)CC3)CC[N@H+]2C)cc1 ZINC000257333598 570148545 /nfs/dbraw/zinc/14/85/45/570148545.db2.gz YCGALTDRVDRZTN-XMMPIXPASA-N 1 2 467.585 3.521 40 0 JHABLO COc1ccc([C@@H]2CN(C(=O)C3(C)CCN(C(=O)Cc4ccccc4F)CC3)CC[N@@H+]2C)cc1 ZINC000257333597 570148603 /nfs/dbraw/zinc/14/86/03/570148603.db2.gz YCGALTDRVDRZTN-DEOSSOPVSA-N 1 2 467.585 3.521 40 0 JHABLO COc1ccc([C@@H]2CN(C(=O)C3(C)CCN(C(=O)Cc4ccccc4F)CC3)CC[N@H+]2C)cc1 ZINC000257333597 570148604 /nfs/dbraw/zinc/14/86/04/570148604.db2.gz YCGALTDRVDRZTN-DEOSSOPVSA-N 1 2 467.585 3.521 40 0 JHABLO CC1(C)CCC2(CC[NH+](CC(=O)Nc3ccc(C(F)(F)F)cc3)CC2)CN1S(C)(=O)=O ZINC000257343015 570151257 /nfs/dbraw/zinc/15/12/57/570151257.db2.gz ZRBKZTIMANSCHW-UHFFFAOYSA-N 1 2 461.550 3.560 40 0 JHABLO CCOc1ccc(Br)cc1[C@@H]1N(C(C)=O)c2ccccc2-c2c(=O)[nH]c(SC)n[n+]21 ZINC000261363716 570168264 /nfs/dbraw/zinc/16/82/64/570168264.db2.gz HUKYVHLROKNLSO-HXUWFJFHSA-O 1 2 488.387 3.933 40 0 JHABLO CCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@H]2c1cc(OC)c(OC)c(OC)c1 ZINC000261363571 570168136 /nfs/dbraw/zinc/16/81/36/570168136.db2.gz HOVMAEZBIMYEFC-HSZRJFAPSA-O 1 2 483.570 3.578 40 0 JHABLO CCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@H]2c1cccc(Br)c1 ZINC000261363675 570168293 /nfs/dbraw/zinc/16/82/93/570168293.db2.gz VQENSUPCUFMCDZ-LJQANCHMSA-O 1 2 458.361 3.925 40 0 JHABLO CCOc1cc([C@H]2Nc3ccccc3-c3c(=O)[nH]c(SC)n[n+]32)cc(Br)c1O ZINC000261366045 570169383 /nfs/dbraw/zinc/16/93/83/570169383.db2.gz XCJRCRPGDVTUOM-KRWDZBQOSA-O 1 2 462.349 3.698 40 0 JHABLO CC(C)[C@@H](CO)Nc1nc(Nc2ccc(I)cc2F)cc(C2CC2)[nH+]1 ZINC000329024934 570182188 /nfs/dbraw/zinc/18/21/88/570182188.db2.gz PDQRQDVQOPTMEJ-MRXNPFEDSA-N 1 2 456.303 4.270 40 0 JHABLO Cc1ccc(S(=O)(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1C(=O)NC1CCCCC1 ZINC000408557865 570198650 /nfs/dbraw/zinc/19/86/50/570198650.db2.gz OHPKSSRTRYPTGA-UHFFFAOYSA-N 1 2 455.624 3.564 40 0 JHABLO Cc1ccc(S(=O)(=O)N(CC(=O)NCCCn2cc[nH+]c2)c2ccc(Cl)c(Cl)c2)cc1 ZINC000408565385 570203345 /nfs/dbraw/zinc/20/33/45/570203345.db2.gz KCULAVPANHPHJJ-UHFFFAOYSA-N 1 2 481.405 3.900 40 0 JHABLO CCOC(=O)c1c2c(sc1NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](C(=O)OCC)C1)C[C@H](C)CC2 ZINC000003351016 194295528 /nfs/dbraw/zinc/29/55/28/194295528.db2.gz SBDAJXJFPZMLAY-OAGGEKHMSA-N 1 2 450.601 3.652 40 0 JHABLO CCOC(=O)c1c2c(sc1NC(=O)[C@@H](C)[N@H+]1CCC[C@H](C(=O)OCC)C1)C[C@H](C)CC2 ZINC000003351016 194295531 /nfs/dbraw/zinc/29/55/31/194295531.db2.gz SBDAJXJFPZMLAY-OAGGEKHMSA-N 1 2 450.601 3.652 40 0 JHABLO CC[C@@H](c1nnnn1CCOC)[N@H+](Cc1ccc(C)cc1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000057640792 195354783 /nfs/dbraw/zinc/35/47/83/195354783.db2.gz USSIGPOMOPWBEE-DEOSSOPVSA-N 1 2 460.582 3.931 40 0 JHABLO CC[C@@H](c1nnnn1CCOC)[N@@H+](Cc1ccc(C)cc1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000057640792 195354785 /nfs/dbraw/zinc/35/47/85/195354785.db2.gz USSIGPOMOPWBEE-DEOSSOPVSA-N 1 2 460.582 3.931 40 0 JHABLO CC[C@H](c1nnnn1C(C)(C)CC)[N@@H+](Cc1cc2cc(OC)c(OC)cc2[nH]c1=O)C[C@@H]1CCCO1 ZINC000057641377 195355623 /nfs/dbraw/zinc/35/56/23/195355623.db2.gz SLARAIJMBJTURQ-PZJWPPBQSA-N 1 2 498.628 3.809 40 0 JHABLO CC[C@H](c1nnnn1C(C)(C)CC)[N@H+](Cc1cc2cc(OC)c(OC)cc2[nH]c1=O)C[C@@H]1CCCO1 ZINC000057641377 195355624 /nfs/dbraw/zinc/35/56/24/195355624.db2.gz SLARAIJMBJTURQ-PZJWPPBQSA-N 1 2 498.628 3.809 40 0 JHABLO CCOC(=O)[C@]1(Cc2ccccc2)[NH2+][C@@H](c2cccs2)[C@H]2C(=O)N(c3ccccc3F)C(=O)[C@@H]21 ZINC000012497464 521355488 /nfs/dbraw/zinc/35/54/88/521355488.db2.gz CYEDKSCPCAGLAV-IMIIHFCZSA-N 1 2 478.545 3.882 40 0 JHABLO COc1cc2cc([C@H](c3nnnn3Cc3ccc(F)cc3)[NH+]3CCC(C)CC3)c(=O)[nH]c2cc1OC ZINC000006148961 523059750 /nfs/dbraw/zinc/05/97/50/523059750.db2.gz WWVDTBZDNNRICR-XMMPIXPASA-N 1 2 492.555 3.541 40 0 JHABLO COc1ccc(CC(=O)N[C@H]2C[C@@H](c3nc(-c4ccc(OC(F)(F)F)cc4)no3)[N@H+](C)C2)cc1 ZINC000020464074 523907314 /nfs/dbraw/zinc/90/73/14/523907314.db2.gz GTAIOMIFEQROHV-LPHOPBHVSA-N 1 2 476.455 3.748 40 0 biogenic,in-vitro JHABLO COc1ccc(CC(=O)N[C@H]2C[C@@H](c3nc(-c4ccc(OC(F)(F)F)cc4)no3)[N@@H+](C)C2)cc1 ZINC000020464074 523907321 /nfs/dbraw/zinc/90/73/21/523907321.db2.gz GTAIOMIFEQROHV-LPHOPBHVSA-N 1 2 476.455 3.748 40 0 biogenic,in-vitro JHABLO CCc1ccc(N(CC(=O)NCc2ccccc2-n2cc[nH+]c2)S(=O)(=O)c2ccccc2)cc1 ZINC000030752455 523959346 /nfs/dbraw/zinc/95/93/46/523959346.db2.gz BCVSPZLKSAWCTO-UHFFFAOYSA-N 1 2 474.586 3.946 40 0 JHABLO C[N@@H+]1C[C@@H](NC(=O)COc2ccccc2)C[C@H]1c1nc(-c2ccc(OC(F)(F)F)cc2)no1 ZINC000020464078 524009853 /nfs/dbraw/zinc/00/98/53/524009853.db2.gz CPTFHOQXZANIIM-YJBOKZPZSA-N 1 2 462.428 3.576 40 0 biogenic,in-vitro JHABLO C[N@H+]1C[C@@H](NC(=O)COc2ccccc2)C[C@H]1c1nc(-c2ccc(OC(F)(F)F)cc2)no1 ZINC000020464078 524009856 /nfs/dbraw/zinc/00/98/56/524009856.db2.gz CPTFHOQXZANIIM-YJBOKZPZSA-N 1 2 462.428 3.576 40 0 biogenic,in-vitro JHABLO CCc1ccc2[nH]c(=O)c(CN(CC[NH+]3CCOCC3)C(=O)Nc3ccccc3F)cc2c1 ZINC000020109207 524058029 /nfs/dbraw/zinc/05/80/29/524058029.db2.gz KPBUVOHCNAGXHK-UHFFFAOYSA-N 1 2 452.530 3.596 40 0 JHABLO CS(=O)(=O)N(CC(=O)NCc1ccccc1-n1cc[nH+]c1)c1ccc(OCc2ccccc2)cc1 ZINC000020460854 525151694 /nfs/dbraw/zinc/15/16/94/525151694.db2.gz ZHRREWNBNXQNMC-UHFFFAOYSA-N 1 2 490.585 3.534 40 0 JHABLO O=C(C1CCCCC1)N1C[C@H]2C[C@@H](C1)Cn1c(=O)c(-c3ccccc3C[NH+]3CCOCC3)ccc12 ZINC000020503607 526300060 /nfs/dbraw/zinc/30/00/60/526300060.db2.gz LQVSAFROWOYFRY-XUZZJYLKSA-N 1 2 475.633 3.874 40 0 biogenic,in-vitro JHABLO O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccccc1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000016479519 526700388 /nfs/dbraw/zinc/70/03/88/526700388.db2.gz JWDPSGHHLVEUBK-XNTDXEJSSA-N 1 2 489.641 3.735 40 0 JHABLO O=C(CSc1nc2c(c(-c3cccs3)n1)CCCC2)N1CCN(c2cccc[nH+]2)CC1 ZINC000016545957 527056198 /nfs/dbraw/zinc/05/61/98/527056198.db2.gz PNZQZCONRJSBNE-UHFFFAOYSA-N 1 2 451.621 3.920 40 0 JHABLO CCc1ccc2[nH]c(=O)c(CN(CC[NH+]3CCOCC3)C(=S)Nc3ccc(F)cc3)cc2c1 ZINC000000874613 553811385 /nfs/dbraw/zinc/81/13/85/553811385.db2.gz MFQUTUJGGNRCNC-UHFFFAOYSA-N 1 2 468.598 3.761 40 0 JHABLO COc1ccccc1NC(=S)N(CC[NH+]1CCOCC1)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000000878497 553814276 /nfs/dbraw/zinc/81/42/76/553814276.db2.gz SIEPGZXPDLCURS-UHFFFAOYSA-N 1 2 480.634 3.685 40 0 JHABLO COc1ccc(OC)c(-c2csc(N(CCC[NH+]3CCOCC3)C(=O)COc3ccccc3)n2)c1 ZINC000000881191 553817749 /nfs/dbraw/zinc/81/77/49/553817749.db2.gz ZBIUHWZVUHRKBI-UHFFFAOYSA-N 1 2 497.617 3.962 40 0 JHABLO Cc1cccc(NC(=S)N(CC[NH+]2CCOCC2)Cc2cc3ccc(C)c(C)c3[nH]c2=O)c1 ZINC000000884862 553823307 /nfs/dbraw/zinc/82/33/07/553823307.db2.gz SRNVAWIZZCHVQY-UHFFFAOYSA-N 1 2 464.635 3.985 40 0 JHABLO CC[N@H+](Cc1ccccc1)[C@@H](c1nnnn1C[C@H]1CCCO1)c1cc2cc(C)c(C)cc2[nH]c1=O ZINC000000894099 553830510 /nfs/dbraw/zinc/83/05/10/553830510.db2.gz INGPIWYTORUJFE-RCZVLFRGSA-N 1 2 472.593 3.922 40 0 JHABLO CC[N@@H+](Cc1ccccc1)[C@@H](c1nnnn1C[C@H]1CCCO1)c1cc2cc(C)c(C)cc2[nH]c1=O ZINC000000894099 553830515 /nfs/dbraw/zinc/83/05/15/553830515.db2.gz INGPIWYTORUJFE-RCZVLFRGSA-N 1 2 472.593 3.922 40 0 JHABLO CCc1ccc2[nH]c(=O)c([C@H](c3nnnn3Cc3ccc(OC)cc3)[NH+]3CCCCC3)cc2c1 ZINC000006198344 554519402 /nfs/dbraw/zinc/51/94/02/554519402.db2.gz GIUTYWHOOVOXQO-XMMPIXPASA-N 1 2 458.566 3.709 40 0 JHABLO COc1cc2cc([C@@H](c3nnnn3C3CCCCC3)[N@@H+]3CCC[C@@H](C)C3)c(=O)[nH]c2cc1OC ZINC000006283144 554526268 /nfs/dbraw/zinc/52/62/68/554526268.db2.gz RZBSSFRYWRGCFS-MWTRTKDXSA-N 1 2 466.586 3.858 40 0 JHABLO COc1cc2cc([C@@H](c3nnnn3C3CCCCC3)[N@H+]3CCC[C@@H](C)C3)c(=O)[nH]c2cc1OC ZINC000006283144 554526271 /nfs/dbraw/zinc/52/62/71/554526271.db2.gz RZBSSFRYWRGCFS-MWTRTKDXSA-N 1 2 466.586 3.858 40 0 JHABLO CC[C@@H](c1nnnn1Cc1ccco1)[N@@H+](Cc1cc2cc(C)cc(C)c2[nH]c1=O)C[C@H]1CCCO1 ZINC000008034314 554563878 /nfs/dbraw/zinc/56/38/78/554563878.db2.gz QCSSKBPCOAYSPD-GGAORHGYSA-N 1 2 476.581 3.905 40 0 JHABLO CC[C@@H](c1nnnn1Cc1ccco1)[N@H+](Cc1cc2cc(C)cc(C)c2[nH]c1=O)C[C@H]1CCCO1 ZINC000008034314 554563880 /nfs/dbraw/zinc/56/38/80/554563880.db2.gz QCSSKBPCOAYSPD-GGAORHGYSA-N 1 2 476.581 3.905 40 0 JHABLO CCOc1ccc2[nH]c(=O)c(C[N@H+](C[C@H]3CCCO3)[C@@H](CC)c3nnnn3Cc3ccco3)cc2c1 ZINC000013495537 555408186 /nfs/dbraw/zinc/40/81/86/555408186.db2.gz PZIWFWKKHQCSNG-QPPBQGQZSA-N 1 2 492.580 3.687 40 0 JHABLO CCOc1ccc2[nH]c(=O)c(C[N@@H+](C[C@H]3CCCO3)[C@@H](CC)c3nnnn3Cc3ccco3)cc2c1 ZINC000013495537 555408187 /nfs/dbraw/zinc/40/81/87/555408187.db2.gz PZIWFWKKHQCSNG-QPPBQGQZSA-N 1 2 492.580 3.687 40 0 JHABLO CC[C@@H](c1nnnn1Cc1ccccc1)[N@H+](CCCO)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013496010 555410418 /nfs/dbraw/zinc/41/04/18/555410418.db2.gz FIARSJWSORNGBO-QHCPKHFHSA-N 1 2 460.582 3.515 40 0 JHABLO CC[C@@H](c1nnnn1Cc1ccccc1)[N@@H+](CCCO)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013496010 555410419 /nfs/dbraw/zinc/41/04/19/555410419.db2.gz FIARSJWSORNGBO-QHCPKHFHSA-N 1 2 460.582 3.515 40 0 JHABLO CCOc1ccc2[nH]c(=O)c([C@@H](c3nnnn3CCc3ccccc3)[N@@H+]3CCC[C@@H](C)C3)cc2c1 ZINC000013496091 555410820 /nfs/dbraw/zinc/41/08/20/555410820.db2.gz KQUWBCPTKLENEX-CLOONOSVSA-N 1 2 472.593 3.977 40 0 JHABLO CCOc1ccc2[nH]c(=O)c([C@@H](c3nnnn3CCc3ccccc3)[N@H+]3CCC[C@@H](C)C3)cc2c1 ZINC000013496091 555410823 /nfs/dbraw/zinc/41/08/23/555410823.db2.gz KQUWBCPTKLENEX-CLOONOSVSA-N 1 2 472.593 3.977 40 0 JHABLO CCOC(=O)Cn1nnnc1[C@H](C(C)C)[N@H+](Cc1ccco1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000013498917 555425922 /nfs/dbraw/zinc/42/59/22/555425922.db2.gz PCWBMSIJIZQSML-DEOSSOPVSA-N 1 2 492.580 3.687 40 0 JHABLO CCOC(=O)Cn1nnnc1[C@H](C(C)C)[N@@H+](Cc1ccco1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000013498917 555425924 /nfs/dbraw/zinc/42/59/24/555425924.db2.gz PCWBMSIJIZQSML-DEOSSOPVSA-N 1 2 492.580 3.687 40 0 JHABLO CCOc1ccc2[nH]c(=O)c(C[N@H+](CCCO)[C@@H](c3nnnn3Cc3ccccc3)C(C)C)cc2c1 ZINC000013500583 555441814 /nfs/dbraw/zinc/44/18/14/555441814.db2.gz CHOKIAPWFPHRDI-RUZDIDTESA-N 1 2 490.608 3.543 40 0 JHABLO CCOc1ccc2[nH]c(=O)c(C[N@@H+](CCCO)[C@@H](c3nnnn3Cc3ccccc3)C(C)C)cc2c1 ZINC000013500583 555441817 /nfs/dbraw/zinc/44/18/17/555441817.db2.gz CHOKIAPWFPHRDI-RUZDIDTESA-N 1 2 490.608 3.543 40 0 JHABLO CCC[C@@H](c1nnnn1Cc1ccccc1)[N@H+](CCCO)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013501025 555446393 /nfs/dbraw/zinc/44/63/93/555446393.db2.gz JLXZVQIZWAJZEZ-DEOSSOPVSA-N 1 2 460.582 3.597 40 0 JHABLO CCC[C@@H](c1nnnn1Cc1ccccc1)[N@@H+](CCCO)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013501025 555446396 /nfs/dbraw/zinc/44/63/96/555446396.db2.gz JLXZVQIZWAJZEZ-DEOSSOPVSA-N 1 2 460.582 3.597 40 0 JHABLO Cc1ccc2[nH]c(=O)c(C[N@H+](CCO)C3(c4nnnn4C4CCCCC4)CCCCC3)cc2c1 ZINC000013501253 555449045 /nfs/dbraw/zinc/44/90/45/555449045.db2.gz ALVMZAXXSKAHQL-UHFFFAOYSA-N 1 2 464.614 3.982 40 0 JHABLO Cc1ccc2[nH]c(=O)c(C[N@@H+](CCO)C3(c4nnnn4C4CCCCC4)CCCCC3)cc2c1 ZINC000013501253 555449046 /nfs/dbraw/zinc/44/90/46/555449046.db2.gz ALVMZAXXSKAHQL-UHFFFAOYSA-N 1 2 464.614 3.982 40 0 JHABLO COc1ccc(CCn2nnnc2[C@@H](c2ccccc2)[NH+]2CCN(c3ccccc3)CC2)cc1OC ZINC000013505594 555467289 /nfs/dbraw/zinc/46/72/89/555467289.db2.gz ISNCMJNIRBENPC-HHHXNRCGSA-N 1 2 484.604 3.845 40 0 JHABLO CCOc1ccc2nc(NC(=O)C[NH+]3CCC(c4nc(-c5ccncc5)n[nH]4)CC3)sc2c1 ZINC000013565347 555501504 /nfs/dbraw/zinc/50/15/04/555501504.db2.gz HEOZMXDYSBNHSM-UHFFFAOYSA-N 1 2 463.567 3.693 40 0 JHABLO CCOc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H](c2ccccc2C)[NH2+][C@@]3(CCSC)C(=O)OC)cc1 ZINC000020150718 555667058 /nfs/dbraw/zinc/66/70/58/555667058.db2.gz IBZBIEOVNWOVDH-BTKWVRSESA-N 1 2 482.602 3.509 40 0 JHABLO CCCCOc1ccc(C(=O)[C@H]([C@@H](c2ccccc2)[NH+]2CCOCC2)N2CCOCC2)cc1 ZINC000022580853 555939979 /nfs/dbraw/zinc/93/99/79/555939979.db2.gz SNGHKPGBEIVJPH-FTJBHMTQSA-N 1 2 452.595 3.823 40 0 JHABLO COc1ccccc1C[NH+]1CCN([C@H](c2nnnn2Cc2cccs2)c2ccccc2)CC1 ZINC000022929749 555982268 /nfs/dbraw/zinc/98/22/68/555982268.db2.gz VDHLFQSPSDJWFO-DEOSSOPVSA-N 1 2 460.607 3.699 40 0 JHABLO CSc1ccc(S(=O)(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1C(=O)N1CCCCCC1 ZINC000026120112 556248847 /nfs/dbraw/zinc/24/88/47/556248847.db2.gz YNOJFWRSJZGOBS-UHFFFAOYSA-N 1 2 487.691 3.931 40 0 JHABLO Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)NCc3ccc(C[NH+]4CCOCC4)cc3)c2)cc1 ZINC000029931200 556360375 /nfs/dbraw/zinc/36/03/75/556360375.db2.gz XDKRXUJQLDZIPZ-UHFFFAOYSA-N 1 2 479.602 3.558 40 0 JHABLO Cc1cc(C)c2cc(C[N@@H+](CCO)[C@@H](c3nnnn3Cc3ccc(F)cc3)C(C)C)c(=O)[nH]c2c1 ZINC000008674204 562950470 /nfs/dbraw/zinc/95/04/70/562950470.db2.gz JDAHORHLNSAIED-XMMPIXPASA-N 1 2 478.572 3.923 40 0 JHABLO Cc1cc(C)c2cc(C[N@H+](CCO)[C@@H](c3nnnn3Cc3ccc(F)cc3)C(C)C)c(=O)[nH]c2c1 ZINC000008674204 562950472 /nfs/dbraw/zinc/95/04/72/562950472.db2.gz JDAHORHLNSAIED-XMMPIXPASA-N 1 2 478.572 3.923 40 0 JHABLO O=C1Nc2ccc(Br)cc2[C@@]12[C@@H]1C(=O)N(c3cccc(Cl)c3)C(=O)[C@H]1[C@H]1CCC[N@@H+]12 ZINC000033761784 569633903 /nfs/dbraw/zinc/63/39/03/569633903.db2.gz GGSTUHIKEGIRMV-BZDHPDOMSA-N 1 2 486.753 3.534 40 0 JHABLO O=C1Nc2ccc(Br)cc2[C@@]12[C@@H]1C(=O)N(c3cccc(Cl)c3)C(=O)[C@H]1[C@H]1CCC[N@H+]12 ZINC000033761784 569633904 /nfs/dbraw/zinc/63/39/04/569633904.db2.gz GGSTUHIKEGIRMV-BZDHPDOMSA-N 1 2 486.753 3.534 40 0 JHABLO Cc1cc2cc(C[N@@H+](C[C@H]3CCCO3)[C@@H](c3nnnn3C[C@@H]3CCCO3)C(C)C)c(=O)[nH]c2cc1C ZINC000033937249 569638613 /nfs/dbraw/zinc/63/86/13/569638613.db2.gz SNAPQADSODYHIU-GIFXNVAJSA-N 1 2 494.640 3.689 40 0 JHABLO Cc1cc2cc(C[N@H+](C[C@H]3CCCO3)[C@@H](c3nnnn3C[C@@H]3CCCO3)C(C)C)c(=O)[nH]c2cc1C ZINC000033937249 569638614 /nfs/dbraw/zinc/63/86/14/569638614.db2.gz SNAPQADSODYHIU-GIFXNVAJSA-N 1 2 494.640 3.689 40 0 JHABLO CCC[C@H](c1nnnn1C[C@H]1CCCO1)[N@@H+](Cc1cc2cc(C)c(C)cc2[nH]c1=O)C[C@@H]1CCCO1 ZINC000033937272 569638801 /nfs/dbraw/zinc/63/88/01/569638801.db2.gz CMSCSGARONMOKD-JBRSBNLGSA-N 1 2 494.640 3.833 40 0 JHABLO CCC[C@H](c1nnnn1C[C@H]1CCCO1)[N@H+](Cc1cc2cc(C)c(C)cc2[nH]c1=O)C[C@@H]1CCCO1 ZINC000033937272 569638802 /nfs/dbraw/zinc/63/88/02/569638802.db2.gz CMSCSGARONMOKD-JBRSBNLGSA-N 1 2 494.640 3.833 40 0 JHABLO CC[C@@H](NC(=O)c1cc(S(=O)(=O)N2CC[NH+](C)CC2)ccc1C)c1ccc2c(c1)CCCC2 ZINC000223112734 569899770 /nfs/dbraw/zinc/89/97/70/569899770.db2.gz PEVNWYLXJPORCY-RUZDIDTESA-N 1 2 469.651 3.691 40 0 JHABLO Fc1ccc(-c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3CC[NH+]3CCOCC3)o2)cc1 ZINC000223156736 569901383 /nfs/dbraw/zinc/90/13/83/569901383.db2.gz HEGJZKUCRIBNKM-DHIUTWEWSA-N 1 2 452.555 3.785 40 0 JHABLO Cc1ccccc1-n1cccc1[C@H]1[C@H](c2ccccn2)NC(=S)N1CCC[NH+]1CCOCC1 ZINC000223193696 569902850 /nfs/dbraw/zinc/90/28/50/569902850.db2.gz ORFLCAASMJHVSB-DQEYMECFSA-N 1 2 461.635 3.876 40 0 JHABLO CN(C)c1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC[NH+]2CCOCC2)cc1 ZINC000223194122 569902915 /nfs/dbraw/zinc/90/29/15/569902915.db2.gz QNQULEMFQHFUFZ-IZZNHLLZSA-N 1 2 490.677 3.633 40 0 JHABLO COc1cccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2CCC[NH+]2CCOCC2)c1 ZINC000223195822 569902975 /nfs/dbraw/zinc/90/29/75/569902975.db2.gz DMVHIFSORFNZOL-LOSJGSFVSA-N 1 2 477.634 3.576 40 0 JHABLO C[NH+]1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)Nc3ccc(N4CCCCC4)cc3)c2)CC1 ZINC000224970802 569966022 /nfs/dbraw/zinc/96/60/22/569966022.db2.gz BESZMIZWPRMMJB-UHFFFAOYSA-N 1 2 477.030 3.519 40 0 JHABLO CS(=O)(=O)N(CC(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1 ZINC000408613658 569973401 /nfs/dbraw/zinc/97/34/01/569973401.db2.gz XAZJNLKEKDXEFJ-VMPITWQZSA-N 1 2 482.433 3.617 40 0 JHABLO CN(c1ccc(C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)cc1)S(=O)(=O)c1ccccc1 ZINC000408621270 569978171 /nfs/dbraw/zinc/97/81/71/569978171.db2.gz OXYHCDLXUAMDDO-DHZHZOJOSA-N 1 2 475.614 3.983 40 0 JHABLO Cc1ccc(S(=O)(=O)N(CC(=O)NCCCn2cc[nH+]c2)c2cc(Cl)cc(Cl)c2)cc1 ZINC000408631016 569982716 /nfs/dbraw/zinc/98/27/16/569982716.db2.gz ZDFMVCLKLABTPR-UHFFFAOYSA-N 1 2 481.405 3.900 40 0 JHABLO O=C(CCc1nc(-c2ccc(Br)cc2)no1)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000225820505 570023360 /nfs/dbraw/zinc/02/33/60/570023360.db2.gz GUAIHCHHIPDRKI-UHFFFAOYSA-N 1 2 499.365 3.505 40 0 JHABLO CCc1[nH+]c2ccccc2n1CC(=O)N1CCC[C@@H](Cc2cc(Nc3cc(C)[nH]n3)nc(C)n2)C1 ZINC000257204481 570109170 /nfs/dbraw/zinc/10/91/70/570109170.db2.gz AUULKUKJJWAMOH-IBGZPJMESA-N 1 2 472.597 3.954 40 0 JHABLO COc1ccc(-c2cnc(N)nc2[C@H]2CCCN(C(=O)c3cccc(Cn4cc[nH+]c4)c3)C2)cc1 ZINC000257232187 570117629 /nfs/dbraw/zinc/11/76/29/570117629.db2.gz GJTLOLWPGBKEHK-QFIPXVFZSA-N 1 2 468.561 3.999 40 0 JHABLO Cc1cc2[nH]c(CCC(=O)N(C)C[C@]3(O)CCCN(c4ccnc5cccnc54)C3)[nH+]c2cc1C ZINC000257236671 570119161 /nfs/dbraw/zinc/11/91/61/570119161.db2.gz HDEDMSRIGVQZPK-HHHXNRCGSA-N 1 2 472.593 3.545 40 0 JHABLO Cc1cc(Nc2cccc(C(=O)N3CCOC[C@@H](Cc4ccc5[nH+]ccn5c4)C3)c2)nc(C)n1 ZINC000257259287 570125929 /nfs/dbraw/zinc/12/59/29/570125929.db2.gz KXQXZKRGWYSXHM-NRFANRHFSA-N 1 2 456.550 3.816 40 0 JHABLO CC(C)Oc1ccc([C@H]2CN(C(=O)c3cccc(OCCN4CCCC4=O)c3)CC[N@@H+]2C)cc1 ZINC000257264971 570127932 /nfs/dbraw/zinc/12/79/32/570127932.db2.gz LWUBIIXGHPUMNE-RUZDIDTESA-N 1 2 465.594 3.604 40 0 JHABLO CC(C)Oc1ccc([C@H]2CN(C(=O)c3cccc(OCCN4CCCC4=O)c3)CC[N@H+]2C)cc1 ZINC000257264971 570127933 /nfs/dbraw/zinc/12/79/33/570127933.db2.gz LWUBIIXGHPUMNE-RUZDIDTESA-N 1 2 465.594 3.604 40 0 JHABLO Cc1cc(N2CCC[C@](O)(CN(C)C(=O)c3ccc4[nH]c(C(F)(F)F)nc4c3)C2)c2cnccc2[nH+]1 ZINC000257313017 570142378 /nfs/dbraw/zinc/14/23/78/570142378.db2.gz UQQDBYFIISJOEI-DEOSSOPVSA-N 1 2 498.509 3.937 40 0 JHABLO CN(C)c1cc([C@H]2CCCN(C(=O)C3(C)CCN(C(=O)Cc4cccc(F)c4)CC3)C2)cc[nH+]1 ZINC000257322075 570145041 /nfs/dbraw/zinc/14/50/41/570145041.db2.gz WEMKRDPSDHPRQA-QFIPXVFZSA-N 1 2 466.601 3.864 40 0 JHABLO C[C@]1(O)CC[N@H+](CC(=O)Nc2ncc(Cc3ccc(F)cc3)s2)C[C@@H]1Oc1cccc(F)c1 ZINC000257341628 570150777 /nfs/dbraw/zinc/15/07/77/570150777.db2.gz ZLEYCSJYKVNTHC-URXFXBBRSA-N 1 2 473.545 3.855 40 0 JHABLO C[C@]1(O)CC[N@@H+](CC(=O)Nc2ncc(Cc3ccc(F)cc3)s2)C[C@@H]1Oc1cccc(F)c1 ZINC000257341628 570150778 /nfs/dbraw/zinc/15/07/78/570150778.db2.gz ZLEYCSJYKVNTHC-URXFXBBRSA-N 1 2 473.545 3.855 40 0 JHABLO CSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@H]2c1c(C)nn(-c2ccccc2)c1Cl ZINC000261363452 570168092 /nfs/dbraw/zinc/16/80/92/570168092.db2.gz SFMZUPJMBXPCJK-JOCHJYFZSA-O 1 2 479.973 3.920 40 0 JHABLO CCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@H]2c1cn(C(C)=O)nc1-c1ccccc1 ZINC000261364788 570168811 /nfs/dbraw/zinc/16/88/11/570168811.db2.gz NQXUHKMCOBUHSP-XMMPIXPASA-O 1 2 487.565 3.686 40 0 JHABLO CCOc1ccc2[nH]c(=O)c([C@H](c3nnnn3Cc3ccc(F)cc3)[N@@H+]3CCC[C@@H](C)C3)cc2c1 ZINC000012712807 195095720 /nfs/dbraw/zinc/09/57/20/195095720.db2.gz VJOJGIAHJJNDTR-MZNJEOGPSA-N 1 2 476.556 3.922 40 0 JHABLO CCOc1ccc2[nH]c(=O)c([C@H](c3nnnn3Cc3ccc(F)cc3)[N@H+]3CCC[C@@H](C)C3)cc2c1 ZINC000012712807 195095723 /nfs/dbraw/zinc/09/57/23/195095723.db2.gz VJOJGIAHJJNDTR-MZNJEOGPSA-N 1 2 476.556 3.922 40 0 JHABLO CCOc1cc(C[N@H+](Cc2nnc3n2c2ccccc2c(=O)n3C)C2CC2)ccc1OC(F)F ZINC000021585147 195317343 /nfs/dbraw/zinc/31/73/43/195317343.db2.gz SPBGRZYHHUKQAU-UHFFFAOYSA-N 1 2 469.492 3.746 40 0 JHABLO CCOc1cc(C[N@@H+](Cc2nnc3n2c2ccccc2c(=O)n3C)C2CC2)ccc1OC(F)F ZINC000021585147 195317347 /nfs/dbraw/zinc/31/73/47/195317347.db2.gz SPBGRZYHHUKQAU-UHFFFAOYSA-N 1 2 469.492 3.746 40 0 JHABLO CCC[C@]1(C(=O)OCC)[NH2+][C@@H](c2ccccc2C)[C@H]2C(=O)N(c3ccc(OCC)cc3)C(=O)[C@H]21 ZINC000020150701 521305806 /nfs/dbraw/zinc/30/58/06/521305806.db2.gz CMJKOGCJVKPULE-FAWUNYRSSA-N 1 2 464.562 3.946 40 0 JHABLO Cc1ccc(S(=O)(=O)N(C)c2ccccc2C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000020494328 525500893 /nfs/dbraw/zinc/50/08/93/525500893.db2.gz OXPBZYLPVRVGGJ-UHFFFAOYSA-N 1 2 460.559 3.936 40 0 JHABLO COc1ccccc1NC(=S)N(CC[NH+]1CCOCC1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000000875509 553812682 /nfs/dbraw/zinc/81/26/82/553812682.db2.gz VITVNSSTFPPWOA-UHFFFAOYSA-N 1 2 480.634 3.685 40 0 JHABLO Cc1ccc(C)c2[nH]c(=O)c(CN(CC[NH+]3CCOCC3)C(=S)Nc3ccccc3)cc12 ZINC000000878492 553814265 /nfs/dbraw/zinc/81/42/65/553814265.db2.gz MKTXYAVUVXMNMP-UHFFFAOYSA-N 1 2 450.608 3.676 40 0 JHABLO Cc1ccc(NC(=S)N(CC[NH+]2CCOCC2)Cc2cc3cccc(C)c3[nH]c2=O)c(C)c1 ZINC000000884999 553823677 /nfs/dbraw/zinc/82/36/77/553823677.db2.gz FSNDAZVUEDRZBK-UHFFFAOYSA-N 1 2 464.635 3.985 40 0 JHABLO COc1ccc(Cn2nnnc2[C@H](c2cc3ccc(C)cc3[nH]c2=O)[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000006409918 554535077 /nfs/dbraw/zinc/53/50/77/554535077.db2.gz AHFDJYBTLHQISK-UUOWRZLLSA-N 1 2 458.566 3.701 40 0 JHABLO COc1ccc(Cn2nnnc2[C@H](c2cc3ccc(C)cc3[nH]c2=O)[N@H+]2CCC[C@H](C)C2)cc1 ZINC000006409918 554535079 /nfs/dbraw/zinc/53/50/79/554535079.db2.gz AHFDJYBTLHQISK-UUOWRZLLSA-N 1 2 458.566 3.701 40 0 JHABLO CCC(C)(C)n1nnnc1[C@H](C(C)C)[N@H+](CCCO)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013500563 555441471 /nfs/dbraw/zinc/44/14/71/555441471.db2.gz XDHVXANRYYPIJV-QFIPXVFZSA-N 1 2 454.619 3.858 40 0 JHABLO CCC(C)(C)n1nnnc1[C@H](C(C)C)[N@@H+](CCCO)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013500563 555441472 /nfs/dbraw/zinc/44/14/72/555441472.db2.gz XDHVXANRYYPIJV-QFIPXVFZSA-N 1 2 454.619 3.858 40 0 JHABLO Cc1ccc2[nH]c(=O)c(C[N@@H+](CCCO)[C@H](c3nnnn3CCc3ccccc3)C(C)C)cc2c1 ZINC000013500561 555441490 /nfs/dbraw/zinc/44/14/90/555441490.db2.gz BOCZOZUOVKTDEC-VWLOTQADSA-N 1 2 474.609 3.647 40 0 JHABLO Cc1ccc2[nH]c(=O)c(C[N@H+](CCCO)[C@H](c3nnnn3CCc3ccccc3)C(C)C)cc2c1 ZINC000013500561 555441492 /nfs/dbraw/zinc/44/14/92/555441492.db2.gz BOCZOZUOVKTDEC-VWLOTQADSA-N 1 2 474.609 3.647 40 0 JHABLO O=C(c1cccc(NS(=O)(=O)c2ccccc2)c1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000013681139 555574095 /nfs/dbraw/zinc/57/40/95/555574095.db2.gz VBAWVQLMMLWDLW-DHZHZOJOSA-N 1 2 461.587 3.959 40 0 JHABLO CS(=O)(=O)N(CC(=O)NCc1ccc(-n2cc[nH+]c2)cc1)c1cc(Cl)c(Cl)cc1Cl ZINC000020105435 555638998 /nfs/dbraw/zinc/63/89/98/555638998.db2.gz CTNMDRZYABPCCV-UHFFFAOYSA-N 1 2 487.796 3.915 40 0 JHABLO CCC[C@H](c1nnnn1C(C)(C)C)N(CC[NH+]1CCOCC1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000022928394 555978952 /nfs/dbraw/zinc/97/89/52/555978952.db2.gz TYYGFOXXXOUFRJ-XMMPIXPASA-N 1 2 495.672 3.562 40 0 JHABLO O=C(Nc1ccc(S(=O)(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1F)c1ccc(F)cc1 ZINC000023511068 556076349 /nfs/dbraw/zinc/07/63/49/556076349.db2.gz UUHHUNSAJALXDC-UHFFFAOYSA-N 1 2 471.529 3.724 40 0 JHABLO CC[C@H](c1nnnn1Cc1ccc(OC)cc1)[N@H+](CCCO)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000013064690 556262771 /nfs/dbraw/zinc/26/27/71/556262771.db2.gz MQNPBNQSULLGIF-RUZDIDTESA-N 1 2 490.608 3.524 40 0 JHABLO CC[C@H](c1nnnn1Cc1ccc(OC)cc1)[N@@H+](CCCO)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000013064690 556262775 /nfs/dbraw/zinc/26/27/75/556262775.db2.gz MQNPBNQSULLGIF-RUZDIDTESA-N 1 2 490.608 3.524 40 0 JHABLO COc1ccccc1NC(=O)N(CC[NH+]1CCOCC1)Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000019234241 556336791 /nfs/dbraw/zinc/33/67/91/556336791.db2.gz PBBNOLUQCYJLAL-UHFFFAOYSA-N 1 2 464.566 3.520 40 0 JHABLO CC[C@@H](c1nnnn1C1CCCCC1)N(CC[NH+]1CCOCC1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000019500606 556349684 /nfs/dbraw/zinc/34/96/84/556349684.db2.gz ZKSCNZFAOQWATQ-VWLOTQADSA-N 1 2 493.656 3.614 40 0 JHABLO CC[N@H+](Cc1ccccc1)[C@H](c1nnnn1C(C)(C)C)c1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000019526626 556351616 /nfs/dbraw/zinc/35/16/16/556351616.db2.gz PYJXOTSRMOAFJK-QFIPXVFZSA-N 1 2 460.538 3.610 40 0 JHABLO CC[N@@H+](Cc1ccccc1)[C@H](c1nnnn1C(C)(C)C)c1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000019526626 556351619 /nfs/dbraw/zinc/35/16/19/556351619.db2.gz PYJXOTSRMOAFJK-QFIPXVFZSA-N 1 2 460.538 3.610 40 0 JHABLO CCOC(=O)[C@]1(Cc2ccccc2)[NH2+][C@H](c2cccs2)[C@H]2C(=O)N(c3ccccc3F)C(=O)[C@@H]21 ZINC000019529827 556352693 /nfs/dbraw/zinc/35/26/93/556352693.db2.gz CYEDKSCPCAGLAV-AVJFOWIRSA-N 1 2 478.545 3.882 40 0 JHABLO Cc1ccc(S(=O)(=O)N(C)c2ccccc2C(=O)NCc2ccccc2-n2cc[nH+]c2)cc1 ZINC000030756627 556373165 /nfs/dbraw/zinc/37/31/65/556373165.db2.gz SGAFNZHFSUMPBU-UHFFFAOYSA-N 1 2 460.559 3.936 40 0 JHABLO C[C@@H](C(=O)NCc1ccc(-n2cc[nH+]c2)cc1)N(c1cc(Cl)ccc1Cl)S(C)(=O)=O ZINC000030852827 556378170 /nfs/dbraw/zinc/37/81/70/556378170.db2.gz WWQOJIIDOTZXHV-AWEZNQCLSA-N 1 2 467.378 3.650 40 0 JHABLO Cc1cc(C)c2cc(CN(CC[NH+]3CCOCC3)C(=S)N[C@H](C)c3ccccc3)c(=O)[nH]c2c1 ZINC000019823587 556394066 /nfs/dbraw/zinc/39/40/66/556394066.db2.gz IIILPUNBSAWPIP-OAQYLSRUSA-N 1 2 478.662 3.915 40 0 JHABLO CCc1ccccc1NC(=O)CSC1=[NH+][C@@H]2CS(=O)(=O)C[C@@H]2N1Cc1ccc(Cl)cc1 ZINC000032640025 556459803 /nfs/dbraw/zinc/45/98/03/556459803.db2.gz WOECAGJVVQVLOK-UXHICEINSA-N 1 2 478.039 3.612 40 0 JHABLO COc1cc2cc([C@@H](c3nnnn3C3CCCC3)[NH+]3CCCCCC3)c(=O)[nH]c2cc1OC ZINC000008586304 562940874 /nfs/dbraw/zinc/94/08/74/562940874.db2.gz SCEMVFGLXPSCIH-QFIPXVFZSA-N 1 2 452.559 3.612 40 0 JHABLO CS(=O)(=O)N(Cc1ccccc1)c1ccc(C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000038771159 569807518 /nfs/dbraw/zinc/80/75/18/569807518.db2.gz BIKLFGDDQKFMBT-UHFFFAOYSA-N 1 2 460.559 3.769 40 0 JHABLO Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CC[NH+]2CCOCC2)c(C)n1C1CCCC1 ZINC000223136901 569900702 /nfs/dbraw/zinc/90/07/02/569900702.db2.gz PJYGOVZOSNOBQU-BJKOFHAPSA-N 1 2 453.656 3.920 40 0 JHABLO Cc1ccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2CC[NH+]2CCOCC2)cc1C ZINC000223154907 569901391 /nfs/dbraw/zinc/90/13/91/569901391.db2.gz LUGCPGFKEGCCFV-DQEYMECFSA-N 1 2 461.635 3.794 40 0 JHABLO S=C1N[C@@H](c2ccccn2)[C@H](c2cc(Br)cs2)N1CCC[NH+]1CCOCC1 ZINC000223168967 569901879 /nfs/dbraw/zinc/90/18/79/569901879.db2.gz RCBNAIZYYSNEEB-ROUUACIJSA-N 1 2 467.458 3.600 40 0 JHABLO COc1ccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2CCC[NH+]2CCOCC2)cc1 ZINC000223196021 569902980 /nfs/dbraw/zinc/90/29/80/569902980.db2.gz MSWNZTPJRMEYRV-RPBOFIJWSA-N 1 2 477.634 3.576 40 0 JHABLO CCCC(=O)N(Cc1ccc(Cl)cc1)[C@@H](C(=O)NCC[NH+]1CCOCC1)c1ccccc1 ZINC000223416264 569910549 /nfs/dbraw/zinc/91/05/49/569910549.db2.gz SOXMOOCWCHRTPC-XMMPIXPASA-N 1 2 458.002 3.658 40 0 JHABLO Cc1c(NS(=O)(=O)c2ccccc2)cccc1C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000224561799 569948483 /nfs/dbraw/zinc/94/84/83/569948483.db2.gz IULVMESWEZQZCQ-UHFFFAOYSA-N 1 2 479.602 3.558 40 0 JHABLO CC(C)(C)NS(=O)(=O)c1ccc(CCC(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)cc1 ZINC000408598380 569968069 /nfs/dbraw/zinc/96/80/69/569968069.db2.gz ZQCYQHKMPIIVQO-JXMROGBWSA-N 1 2 469.651 3.554 40 0 JHABLO O=C(CN(c1ccccc1F)S(=O)(=O)c1ccccc1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000408630458 569982381 /nfs/dbraw/zinc/98/23/81/569982381.db2.gz UXGNKIIVZDIJRJ-FMIVXFBMSA-N 1 2 493.604 3.879 40 0 JHABLO Cn1c2ccc(S(=O)(=O)N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)cc2sc1=O ZINC000225675470 570013981 /nfs/dbraw/zinc/01/39/81/570013981.db2.gz FADQFMXGBQPVIW-UHFFFAOYSA-N 1 2 479.627 3.696 40 0 JHABLO COc1ccc(NC(=O)C2=C(C)[NH+]=C3N=CNN3[C@@H]2c2ccc(OC)c(Br)c2)cc1 ZINC000408703041 570022986 /nfs/dbraw/zinc/02/29/86/570022986.db2.gz DILJUDDEUNBODH-LJQANCHMSA-N 1 2 470.327 3.638 40 0 JHABLO COC(=O)[C@]1(Cc2ccccc2)[NH2+][C@H](c2ccccc2C)[C@@H]2C(=O)N(c3cccc(C(C)=O)c3)C(=O)[C@H]21 ZINC000245229813 570056198 /nfs/dbraw/zinc/05/61/98/570056198.db2.gz GFNLWRVFGHIACM-YYZJCXNBSA-N 1 2 496.563 3.802 40 0 JHABLO CCC[C@]1(C(=O)OCC)[NH2+][C@H](c2cccs2)[C@@H]2C(=O)N(c3cccc(C(C)=O)c3)C(=O)[C@H]21 ZINC000245230023 570056256 /nfs/dbraw/zinc/05/62/56/570056256.db2.gz KEUXWOYRIDJUSH-ZSTWQFLISA-N 1 2 454.548 3.503 40 0 JHABLO CC(=O)N1[C@@H]2CCCC[C@@H]3N(C(=O)C[N@@H+](C)Cc4cccnc4)[C@@H](C[C@@]32C)[C@@H]1Cc1ccccc1 ZINC000257215711 570112746 /nfs/dbraw/zinc/11/27/46/570112746.db2.gz CRHMANKKTILNRF-DYXRGMLLSA-N 1 2 474.649 3.905 40 0 JHABLO CC(=O)N1[C@@H]2CCCC[C@@H]3N(C(=O)C[N@H+](C)Cc4cccnc4)[C@@H](C[C@@]32C)[C@@H]1Cc1ccccc1 ZINC000257215711 570112747 /nfs/dbraw/zinc/11/27/47/570112747.db2.gz CRHMANKKTILNRF-DYXRGMLLSA-N 1 2 474.649 3.905 40 0 JHABLO CC(=O)Nc1ccc(NC(=O)C[N@@H+]2C[C@@H](c3cccc(F)c3)[C@]3(C2)CCCC(=O)N3)c(Cl)c1 ZINC000257222203 570114722 /nfs/dbraw/zinc/11/47/22/570114722.db2.gz DSIYFWWWCUSQNQ-YADARESESA-N 1 2 472.948 3.514 40 0 JHABLO CC(=O)Nc1ccc(NC(=O)C[N@H+]2C[C@@H](c3cccc(F)c3)[C@]3(C2)CCCC(=O)N3)c(Cl)c1 ZINC000257222203 570114723 /nfs/dbraw/zinc/11/47/23/570114723.db2.gz DSIYFWWWCUSQNQ-YADARESESA-N 1 2 472.948 3.514 40 0 JHABLO O=C(c1cccc(OCC[NH+]2CCOCC2)c1)N1CCC[C@@H]1c1ccnc(-c2ccccc2)n1 ZINC000257271473 570130014 /nfs/dbraw/zinc/13/00/14/570130014.db2.gz MYMAEHMTWRIHCF-RUZDIDTESA-N 1 2 458.562 3.832 40 0 JHABLO CC(C)Oc1ccc([C@@H]2CN(C(=O)c3ccccc3OCCN3CCCC3=O)CC[N@@H+]2C)cc1 ZINC000257292160 570136187 /nfs/dbraw/zinc/13/61/87/570136187.db2.gz QKGLYVFESFVBAB-DEOSSOPVSA-N 1 2 465.594 3.604 40 0 JHABLO CC(C)Oc1ccc([C@@H]2CN(C(=O)c3ccccc3OCCN3CCCC3=O)CC[N@H+]2C)cc1 ZINC000257292160 570136189 /nfs/dbraw/zinc/13/61/89/570136189.db2.gz QKGLYVFESFVBAB-DEOSSOPVSA-N 1 2 465.594 3.604 40 0 JHABLO CCOc1cc([C@H]2N(C(=O)CC)c3ccccc3-c3c(=O)[nH]c(SC)n[n+]32)ccc1OC(=O)CC ZINC000261362471 570167571 /nfs/dbraw/zinc/16/75/71/570167571.db2.gz DFAOSAMYYFZSBY-DEOSSOPVSA-O 1 2 495.581 3.876 40 0 JHABLO CCCCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@@H]2c1cccc(OC)c1OC(C)=O ZINC000261362509 570167699 /nfs/dbraw/zinc/16/76/99/570167699.db2.gz DODFUHRUEFSQQZ-DEOSSOPVSA-O 1 2 495.581 3.876 40 0 JHABLO CSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(=O)c1ccccc1)[C@@H]2c1ccc2c(c1)OCO2 ZINC000261364172 570168399 /nfs/dbraw/zinc/16/83/99/570168399.db2.gz JSCDMZRGVHLHHY-QHCPKHFHSA-O 1 2 471.518 3.795 40 0 JHABLO CCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@@H]2c1cc2c(cc1Cl)OCO2 ZINC000261364312 570168575 /nfs/dbraw/zinc/16/85/75/570168575.db2.gz KPSJRMAGEKCBQD-FQEVSTJZSA-O 1 2 457.919 3.544 40 0 JHABLO CCC(=O)N1c2ccccc2-c2c(=O)[nH]c(SC)n[n+]2[C@H]1c1ccccc1Br ZINC000261365348 570169087 /nfs/dbraw/zinc/16/90/87/570169087.db2.gz RNKIIUUXCVAHSW-IBGZPJMESA-O 1 2 458.361 3.925 40 0 JHABLO CSc1n[n+]2c(c(=O)[nH]1)-c1cc(Br)ccc1N(C(C)=O)[C@@H]2c1ccc(F)cc1 ZINC000261365692 570169249 /nfs/dbraw/zinc/16/92/49/570169249.db2.gz UQUMBVCTLKKWLF-SFHVURJKSA-O 1 2 462.324 3.674 40 0 JHABLO CCOc1ccc(Br)c([C@@H]2N(C(C)=O)c3ccccc3-c3c(=O)[nH]c(SC)n[n+]32)c1 ZINC000261366434 570169507 /nfs/dbraw/zinc/16/95/07/570169507.db2.gz ZSVYFHFGZOQEKG-HXUWFJFHSA-O 1 2 488.387 3.933 40 0 JHABLO COc1ccc(OC)c(NC(=O)C2=C(C)[NH+]=C3N=CNN3[C@@H]2c2ccc(C(F)(F)F)cc2)c1 ZINC000408554774 570196457 /nfs/dbraw/zinc/19/64/57/570196457.db2.gz FKBVQQAKTYOWTQ-LJQANCHMSA-N 1 2 459.428 3.895 40 0 JHABLO COc1ccc(S(=O)(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1NC(=O)c1ccccc1C ZINC000408561207 570200911 /nfs/dbraw/zinc/20/09/11/570200911.db2.gz RGVPVBGBHXHALA-UHFFFAOYSA-N 1 2 479.602 3.762 40 0 JHABLO CCC(C)(C)n1nnnc1[C@@H](c1ccc2ncccc2c1)[NH+]1CCN(c2ccc(O)cc2)CC1 ZINC000001328125 194088536 /nfs/dbraw/zinc/08/85/36/194088536.db2.gz ICDKBCHZJUMXBU-XMMPIXPASA-N 1 2 457.582 3.984 40 0 JHABLO COc1ccc2[nH]c(=O)c(C[N@H+](Cc3nnnn3Cc3ccc(F)cc3)C3CCCC3)cc2c1 ZINC000001372973 194106794 /nfs/dbraw/zinc/10/67/94/194106794.db2.gz JPLLNQMQTQORIG-UHFFFAOYSA-N 1 2 462.529 3.655 40 0 JHABLO COc1ccc2[nH]c(=O)c(C[N@@H+](Cc3nnnn3Cc3ccc(F)cc3)C3CCCC3)cc2c1 ZINC000001372973 194106797 /nfs/dbraw/zinc/10/67/97/194106797.db2.gz JPLLNQMQTQORIG-UHFFFAOYSA-N 1 2 462.529 3.655 40 0 JHABLO CN=[S@@](=O)(OCC[N@H+](C)CCO[S@@](=O)(=NC)c1ccc(C)cc1)c1ccc(C)cc1 ZINC000001568680 194128382 /nfs/dbraw/zinc/12/83/82/194128382.db2.gz KAYIOQLXZOCTSI-RNPORBBMSA-N 1 2 453.630 3.712 40 0 JHABLO CN=[S@@](=O)(OCC[N@@H+](C)CCO[S@@](=O)(=NC)c1ccc(C)cc1)c1ccc(C)cc1 ZINC000001568680 194128384 /nfs/dbraw/zinc/12/83/84/194128384.db2.gz KAYIOQLXZOCTSI-RNPORBBMSA-N 1 2 453.630 3.712 40 0 JHABLO CCOC(=O)c1ccc(NC(=O)C[NH+]2CCC(NC(=O)C34CC5CC(CC(C5)C3)C4)CC2)cc1 ZINC000012644361 195073160 /nfs/dbraw/zinc/07/31/60/195073160.db2.gz LKEIISBOIKRNHK-UHFFFAOYSA-N 1 2 467.610 3.599 40 0 JHABLO CC[C@H](c1nnnn1C(C)(C)CC)[N@@H+](Cc1cc2cc(OC)ccc2[nH]c1=O)C[C@@H]1CCCO1 ZINC000057640875 195354698 /nfs/dbraw/zinc/35/46/98/195354698.db2.gz OTPUNYOKLNZLCX-RBBKRZOGSA-N 1 2 468.602 3.801 40 0 JHABLO CC[C@H](c1nnnn1C(C)(C)CC)[N@H+](Cc1cc2cc(OC)ccc2[nH]c1=O)C[C@@H]1CCCO1 ZINC000057640875 195354701 /nfs/dbraw/zinc/35/47/01/195354701.db2.gz OTPUNYOKLNZLCX-RBBKRZOGSA-N 1 2 468.602 3.801 40 0 JHABLO CC[C@@H](c1nnnn1CCOC)[N@H+](Cc1cccs1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000057641637 195355779 /nfs/dbraw/zinc/35/57/79/195355779.db2.gz VHSRBJPUBFZSAL-QFIPXVFZSA-N 1 2 466.611 3.993 40 0 JHABLO CC[C@@H](c1nnnn1CCOC)[N@@H+](Cc1cccs1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000057641637 195355782 /nfs/dbraw/zinc/35/57/82/195355782.db2.gz VHSRBJPUBFZSAL-QFIPXVFZSA-N 1 2 466.611 3.993 40 0 JHABLO CCc1[nH+]c2ccccc2n1CC(=O)N[C@H](CC)Cn1nc(-c2ccc(F)c(F)c2)ccc1=O ZINC000057730922 195359154 /nfs/dbraw/zinc/35/91/54/195359154.db2.gz WMXUOSZMZOMNMA-QGZVFWFLSA-N 1 2 465.504 3.696 40 0 JHABLO CCOc1ccc(N(CC(=O)NCc2ccc(-n3cc[nH+]c3)cc2)S(=O)(=O)c2ccccc2)cc1 ZINC000022428804 521021262 /nfs/dbraw/zinc/02/12/62/521021262.db2.gz AHJZLAIAKZRBQM-UHFFFAOYSA-N 1 2 490.585 3.783 40 0 JHABLO CCOc1ccc2[nH]c(=O)c([C@@H](c3nnnn3Cc3ccccc3)[NH+]3CCC(C)CC3)cc2c1 ZINC000006196881 521283541 /nfs/dbraw/zinc/28/35/41/521283541.db2.gz VUUNYFUWLFORES-DEOSSOPVSA-N 1 2 458.566 3.783 40 0 JHABLO CCOc1ccc2[nH]c(=O)c([C@@H](c3nnnn3Cc3ccccc3)[N@@H+]3CCC[C@H](C)C3)cc2c1 ZINC000006196889 521283762 /nfs/dbraw/zinc/28/37/62/521283762.db2.gz JGWYDEYGIZZFEH-UUOWRZLLSA-N 1 2 458.566 3.783 40 0 JHABLO CCOc1ccc2[nH]c(=O)c([C@@H](c3nnnn3Cc3ccccc3)[N@H+]3CCC[C@H](C)C3)cc2c1 ZINC000006196889 521283768 /nfs/dbraw/zinc/28/37/68/521283768.db2.gz JGWYDEYGIZZFEH-UUOWRZLLSA-N 1 2 458.566 3.783 40 0 JHABLO COc1cc2cc([C@@H](c3nnnn3C3CCCCC3)[NH+]3CCC(C)CC3)c(=O)[nH]c2cc1OC ZINC000006148921 523059772 /nfs/dbraw/zinc/05/97/72/523059772.db2.gz RIBIPSMJTHYNRS-QHCPKHFHSA-N 1 2 466.586 3.858 40 0 JHABLO COc1ccc(C)cc1N(CC(=O)NCc1ccccc1-n1cc[nH+]c1)S(=O)(=O)c1ccccc1 ZINC000020462377 523817552 /nfs/dbraw/zinc/81/75/52/523817552.db2.gz XYINAUILJVAYMF-UHFFFAOYSA-N 1 2 490.585 3.701 40 0 JHABLO COc1ccccc1C(=O)N[C@H]1C[C@@H](c2nc(-c3ccc(OC(F)(F)F)cc3)no2)[N@H+](C)C1 ZINC000020464068 524353872 /nfs/dbraw/zinc/35/38/72/524353872.db2.gz SICLVIONYKCANV-YOEHRIQHSA-N 1 2 462.428 3.819 40 0 biogenic,in-vitro JHABLO COc1ccccc1C(=O)N[C@H]1C[C@@H](c2nc(-c3ccc(OC(F)(F)F)cc3)no2)[N@@H+](C)C1 ZINC000020464068 524353879 /nfs/dbraw/zinc/35/38/79/524353879.db2.gz SICLVIONYKCANV-YOEHRIQHSA-N 1 2 462.428 3.819 40 0 biogenic,in-vitro JHABLO COc1ccc2cc([C@H](c3nnnn3Cc3ccc(F)cc3)[NH+]3CCC(C)CC3)c(=O)[nH]c2c1 ZINC000006148990 525640294 /nfs/dbraw/zinc/64/02/94/525640294.db2.gz QSYGHRMYYZAKCO-HSZRJFAPSA-N 1 2 462.529 3.532 40 0 JHABLO COc1ccccc1NC(=S)N(CC[NH+]1CCOCC1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000000874728 553811612 /nfs/dbraw/zinc/81/16/12/553811612.db2.gz LGPPWQMXLJIFBW-UHFFFAOYSA-N 1 2 480.634 3.685 40 0 JHABLO CCOc1ccc2[nH]c(=O)c([C@@H](c3nnnn3Cc3ccc(F)cc3)[N@@H+]3CCC[C@@H](C)C3)cc2c1 ZINC000000911826 553841560 /nfs/dbraw/zinc/84/15/60/553841560.db2.gz VJOJGIAHJJNDTR-OSPHWJPCSA-N 1 2 476.556 3.922 40 0 JHABLO CCOc1ccc2[nH]c(=O)c([C@@H](c3nnnn3Cc3ccc(F)cc3)[N@H+]3CCC[C@@H](C)C3)cc2c1 ZINC000000911826 553841564 /nfs/dbraw/zinc/84/15/64/553841564.db2.gz VJOJGIAHJJNDTR-OSPHWJPCSA-N 1 2 476.556 3.922 40 0 JHABLO CCOc1ccc2[nH]c(=O)c([C@H](c3nnnn3Cc3ccccc3)[N@@H+]3CCC[C@H](C)C3)cc2c1 ZINC000006197040 554519220 /nfs/dbraw/zinc/51/92/20/554519220.db2.gz JGWYDEYGIZZFEH-MHECFPHRSA-N 1 2 458.566 3.783 40 0 JHABLO CCOc1ccc2[nH]c(=O)c([C@H](c3nnnn3Cc3ccccc3)[N@H+]3CCC[C@H](C)C3)cc2c1 ZINC000006197040 554519222 /nfs/dbraw/zinc/51/92/22/554519222.db2.gz JGWYDEYGIZZFEH-MHECFPHRSA-N 1 2 458.566 3.783 40 0 JHABLO C[C@H]1CCC[N@@H+]([C@H](c2nnnn2C2CCCCC2)c2cc3cc4c(cc3[nH]c2=O)OCCO4)C1 ZINC000006283267 554526778 /nfs/dbraw/zinc/52/67/78/554526778.db2.gz UAZRVOTWRZTYOK-HJPURHCSSA-N 1 2 464.570 3.612 40 0 JHABLO C[C@H]1CCC[N@H+]([C@H](c2nnnn2C2CCCCC2)c2cc3cc4c(cc3[nH]c2=O)OCCO4)C1 ZINC000006283267 554526779 /nfs/dbraw/zinc/52/67/79/554526779.db2.gz UAZRVOTWRZTYOK-HJPURHCSSA-N 1 2 464.570 3.612 40 0 JHABLO COc1ccc2[nH]c(=O)c([C@@H](c3nnnn3Cc3ccc(F)cc3)[N@@H+]3CCC[C@H](C)C3)cc2c1 ZINC000006283262 554526781 /nfs/dbraw/zinc/52/67/81/554526781.db2.gz YGCNNMGUUPFIAT-HJPURHCSSA-N 1 2 462.529 3.532 40 0 JHABLO COc1ccc2[nH]c(=O)c([C@@H](c3nnnn3Cc3ccc(F)cc3)[N@H+]3CCC[C@H](C)C3)cc2c1 ZINC000006283262 554526782 /nfs/dbraw/zinc/52/67/82/554526782.db2.gz YGCNNMGUUPFIAT-HJPURHCSSA-N 1 2 462.529 3.532 40 0 JHABLO Cc1cc(C)c2[nH]c(=O)c(C[N@@H+](CCO)[C@H](c3nnnn3Cc3ccc(F)cc3)C(C)C)cc2c1 ZINC000013500525 555440916 /nfs/dbraw/zinc/44/09/16/555440916.db2.gz JVGFFJVFGYXFCP-DEOSSOPVSA-N 1 2 478.572 3.510 40 0 JHABLO Cc1cc(C)c2[nH]c(=O)c(C[N@H+](CCO)[C@H](c3nnnn3Cc3ccc(F)cc3)C(C)C)cc2c1 ZINC000013500525 555440920 /nfs/dbraw/zinc/44/09/20/555440920.db2.gz JVGFFJVFGYXFCP-DEOSSOPVSA-N 1 2 478.572 3.510 40 0 JHABLO CCC[C@@H](c1nnnn1CC(=O)OCC)[N@H+](Cc1ccccc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013500783 555443808 /nfs/dbraw/zinc/44/38/08/555443808.db2.gz ULCYMRRPFJVIQA-DEOSSOPVSA-N 1 2 488.592 3.930 40 0 JHABLO CCC[C@@H](c1nnnn1CC(=O)OCC)[N@@H+](Cc1ccccc1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013500783 555443810 /nfs/dbraw/zinc/44/38/10/555443810.db2.gz ULCYMRRPFJVIQA-DEOSSOPVSA-N 1 2 488.592 3.930 40 0 JHABLO CCC[C@@H](c1nnnn1CCc1ccccc1)[N@H+](CCCO)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013501019 555446256 /nfs/dbraw/zinc/44/62/56/555446256.db2.gz IOCVRQKLEHQGRD-DEOSSOPVSA-N 1 2 474.609 3.792 40 0 JHABLO CCC[C@@H](c1nnnn1CCc1ccccc1)[N@@H+](CCCO)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013501019 555446259 /nfs/dbraw/zinc/44/62/59/555446259.db2.gz IOCVRQKLEHQGRD-DEOSSOPVSA-N 1 2 474.609 3.792 40 0 JHABLO COc1ccc(CCn2nnnc2[C@@H](C(C)C)[NH+]2CCN(c3ccccc3F)CC2)cc1OC ZINC000013505553 555466979 /nfs/dbraw/zinc/46/69/79/555466979.db2.gz HTPZOQPUPUPYDL-XMMPIXPASA-N 1 2 468.577 3.591 40 0 JHABLO Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccccc2-n2cc[nH+]c2)c2ccccc2)cc1 ZINC000019934666 555551955 /nfs/dbraw/zinc/55/19/55/555551955.db2.gz IDDJMXQVFNVRFA-UHFFFAOYSA-N 1 2 460.559 3.692 40 0 JHABLO CCOc1ccc2[nH]c(=O)c(C[N@H+](CCc3ccccc3)Cc3nnnn3Cc3ccco3)cc2c1 ZINC000020120779 555655171 /nfs/dbraw/zinc/65/51/71/555655171.db2.gz XKVFIPIGOAXYHL-UHFFFAOYSA-N 1 2 484.560 3.800 40 0 JHABLO CCOc1ccc2[nH]c(=O)c(C[N@@H+](CCc3ccccc3)Cc3nnnn3Cc3ccco3)cc2c1 ZINC000020120779 555655175 /nfs/dbraw/zinc/65/51/75/555655175.db2.gz XKVFIPIGOAXYHL-UHFFFAOYSA-N 1 2 484.560 3.800 40 0 JHABLO CCOC(=O)[C@]1(CCSC)[NH2+][C@H](c2cccs2)[C@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@@H]21 ZINC000020150671 555666953 /nfs/dbraw/zinc/66/69/53/555666953.db2.gz JIXWTDPBVVIZQY-RTXPOLOASA-N 1 2 458.605 3.562 40 0 JHABLO CCOC(=O)[C@@]1(CCSC)[NH2+][C@@H](c2cccs2)[C@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@H]21 ZINC000020150668 555667051 /nfs/dbraw/zinc/66/70/51/555667051.db2.gz JIXWTDPBVVIZQY-KGYLXKDPSA-N 1 2 458.605 3.562 40 0 JHABLO CCC[C@@]1(C(=O)OCC)[NH2+][C@@H](c2ccccc2C)[C@H]2C(=O)N(c3ccc(OCC)cc3)C(=O)[C@H]21 ZINC000020150700 555667066 /nfs/dbraw/zinc/66/70/66/555667066.db2.gz CMJKOGCJVKPULE-RNLGNXJRSA-N 1 2 464.562 3.946 40 0 JHABLO Fc1ccccc1[C@@H](c1nnnn1C1CCCC1)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000022928682 555979668 /nfs/dbraw/zinc/97/96/68/555979668.db2.gz DEIBGSQYEIGYBL-DEOSSOPVSA-N 1 2 464.545 3.563 40 0 JHABLO CSc1ccc(S(=O)(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1C(=O)N1CCCCC1 ZINC000026116134 556246385 /nfs/dbraw/zinc/24/63/85/556246385.db2.gz ISHXAJWWZHLUKJ-UHFFFAOYSA-N 1 2 473.664 3.541 40 0 JHABLO CC[C@@H](c1nnnn1C1CCCCC1)[N@H+](CCCO)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000013064689 556262310 /nfs/dbraw/zinc/26/23/10/556262310.db2.gz NTXPSZYGBYBMFU-QHCPKHFHSA-N 1 2 452.603 3.972 40 0 JHABLO CC[C@@H](c1nnnn1C1CCCCC1)[N@@H+](CCCO)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000013064689 556262315 /nfs/dbraw/zinc/26/23/15/556262315.db2.gz NTXPSZYGBYBMFU-QHCPKHFHSA-N 1 2 452.603 3.972 40 0 JHABLO CC[C@@H](c1nnnn1Cc1ccc(OC)cc1)[N@H+](CCCO)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000013064691 556262871 /nfs/dbraw/zinc/26/28/71/556262871.db2.gz MQNPBNQSULLGIF-VWLOTQADSA-N 1 2 490.608 3.524 40 0 JHABLO CC[C@@H](c1nnnn1Cc1ccc(OC)cc1)[N@@H+](CCCO)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000013064691 556262874 /nfs/dbraw/zinc/26/28/74/556262874.db2.gz MQNPBNQSULLGIF-VWLOTQADSA-N 1 2 490.608 3.524 40 0 JHABLO CC[C@@H](c1nnnn1C(C)(C)CC)N(CC[NH+]1CCOCC1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000019500578 556349738 /nfs/dbraw/zinc/34/97/38/556349738.db2.gz VRCUYNJQIHJTOR-DEOSSOPVSA-N 1 2 495.672 3.562 40 0 JHABLO CC[N@H+](Cc1ccccc1)[C@H](c1nnnn1Cc1ccccc1)c1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000019526632 556351598 /nfs/dbraw/zinc/35/15/98/556351598.db2.gz JFCSPIHBSAHXQB-SANMLTNESA-N 1 2 494.555 3.903 40 0 JHABLO CC[N@@H+](Cc1ccccc1)[C@H](c1nnnn1Cc1ccccc1)c1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000019526632 556351602 /nfs/dbraw/zinc/35/16/02/556351602.db2.gz JFCSPIHBSAHXQB-SANMLTNESA-N 1 2 494.555 3.903 40 0 JHABLO CCOC(=O)[C@H]1[C@H](c2ccc(N(C)C)cc2)c2cc3c(cc2O[C@@]1(C)[NH+]1CCCC1)OCO3 ZINC000031772002 556403026 /nfs/dbraw/zinc/40/30/26/556403026.db2.gz ZRDRXBHVGVGLEY-DGWZTRNLSA-N 1 2 452.551 3.997 40 0 JHABLO COc1ncccc1C[NH+](Cc1cccnc1OC)C[C@H]1COCc2nc3cc(C)ccc3n21 ZINC000096112407 560060645 /nfs/dbraw/zinc/06/06/45/560060645.db2.gz WNPYVRZTOILYPL-NRFANRHFSA-N 1 2 459.550 3.926 40 0 biogenic,in-vitro JHABLO COCCNc1ccc(-c2noc([C@@H]3CCC[N@@H+]3Cc3cc(OC)c(OC)c(OC)c3)n2)cn1 ZINC000035425230 560080253 /nfs/dbraw/zinc/08/02/53/560080253.db2.gz URXRIEAGAXNDCT-SFHVURJKSA-N 1 2 469.542 3.553 40 0 biogenic,in-vitro JHABLO COCCNc1ccc(-c2noc([C@@H]3CCC[N@H+]3Cc3cc(OC)c(OC)c(OC)c3)n2)cn1 ZINC000035425230 560080255 /nfs/dbraw/zinc/08/02/55/560080255.db2.gz URXRIEAGAXNDCT-SFHVURJKSA-N 1 2 469.542 3.553 40 0 biogenic,in-vitro JHABLO CCOc1ccc2[nH]c(=O)c(C[N@H+](CCO)[C@H](c3nnnn3C3CCCCC3)C(C)C)cc2c1 ZINC000008586353 562940964 /nfs/dbraw/zinc/94/09/64/562940964.db2.gz VNOPZJDLFPFULN-QHCPKHFHSA-N 1 2 468.602 3.610 40 0 JHABLO CCOc1ccc2[nH]c(=O)c(C[N@@H+](CCO)[C@H](c3nnnn3C3CCCCC3)C(C)C)cc2c1 ZINC000008586353 562940965 /nfs/dbraw/zinc/94/09/65/562940965.db2.gz VNOPZJDLFPFULN-QHCPKHFHSA-N 1 2 468.602 3.610 40 0 JHABLO CCc1ccc2[nH]c(=O)c([C@H](c3nnnn3C[C@H]3CCCO3)[N@H+](CC)Cc3ccccc3)cc2c1 ZINC000033936728 569638236 /nfs/dbraw/zinc/63/82/36/569638236.db2.gz GATRJMKVHUYZRO-RCZVLFRGSA-N 1 2 472.593 3.868 40 0 JHABLO CCc1ccc2[nH]c(=O)c([C@H](c3nnnn3C[C@H]3CCCO3)[N@@H+](CC)Cc3ccccc3)cc2c1 ZINC000033936728 569638237 /nfs/dbraw/zinc/63/82/37/569638237.db2.gz GATRJMKVHUYZRO-RCZVLFRGSA-N 1 2 472.593 3.868 40 0 JHABLO COc1ccc2[nH]c(=O)c(C[N@H+](C[C@@H]3CCCO3)[C@@H](c3nnnn3Cc3ccco3)C(C)C)cc2c1 ZINC000033937236 569638634 /nfs/dbraw/zinc/63/86/34/569638634.db2.gz QKUZLAOKIGLECE-XUZZJYLKSA-N 1 2 492.580 3.543 40 0 JHABLO COc1ccc2[nH]c(=O)c(C[N@@H+](C[C@@H]3CCCO3)[C@@H](c3nnnn3Cc3ccco3)C(C)C)cc2c1 ZINC000033937236 569638635 /nfs/dbraw/zinc/63/86/35/569638635.db2.gz QKUZLAOKIGLECE-XUZZJYLKSA-N 1 2 492.580 3.543 40 0 JHABLO COCCn1nnnc1[C@H](C(C)C)[N@H+](Cc1ccccc1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000096129596 569736290 /nfs/dbraw/zinc/73/62/90/569736290.db2.gz BAEHVPUBEMATDF-DEOSSOPVSA-N 1 2 476.581 3.569 40 0 JHABLO COCCn1nnnc1[C@H](C(C)C)[N@@H+](Cc1ccccc1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000096129596 569736292 /nfs/dbraw/zinc/73/62/92/569736292.db2.gz BAEHVPUBEMATDF-DEOSSOPVSA-N 1 2 476.581 3.569 40 0 JHABLO C[C@H](NC(=O)c1cc(S(=O)(=O)N2CC[NH+](C)CC2)ccc1Cl)c1ccc2c(c1)CCCC2 ZINC000222983592 569896108 /nfs/dbraw/zinc/89/61/08/569896108.db2.gz OPXZJGOYEMXJMC-KRWDZBQOSA-N 1 2 476.042 3.646 40 0 JHABLO Fc1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2CC[NH+]2CCOCC2)cc1Cl ZINC000223131999 569900536 /nfs/dbraw/zinc/90/05/36/569900536.db2.gz QWJAFPNBPNCOMG-XZOQPEGZSA-N 1 2 486.016 3.970 40 0 JHABLO COc1ccccc1-n1cccc1[C@@H]1[C@@H](c2ccccn2)NC(=S)N1CCC[NH+]1CCOCC1 ZINC000223175054 569902106 /nfs/dbraw/zinc/90/21/06/569902106.db2.gz MGRNPJAMRHCVFL-JWQCQUIFSA-N 1 2 477.634 3.576 40 0 JHABLO Fc1ccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2CCC[NH+]2CCOCC2)cc1 ZINC000223195122 569902947 /nfs/dbraw/zinc/90/29/47/569902947.db2.gz JLVCTLICXOQGDS-ZEQRLZLVSA-N 1 2 465.598 3.706 40 0 JHABLO S=C1N[C@@H](c2ccccn2)[C@@H](c2cccn2-c2ccc(Cl)cn2)N1CCC[NH+]1CCOCC1 ZINC000223198179 569903080 /nfs/dbraw/zinc/90/30/80/569903080.db2.gz XTGDNIRYLLLAST-XZOQPEGZSA-N 1 2 483.041 3.616 40 0 JHABLO C[C@H](NS(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000408598028 569967757 /nfs/dbraw/zinc/96/77/57/569967757.db2.gz YXMNUUZSLKDQOX-JZLODUJNSA-N 1 2 482.433 3.518 40 0 JHABLO CN(c1ccccc1C(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1)S(=O)(=O)c1ccccc1 ZINC000408616060 569975196 /nfs/dbraw/zinc/97/51/96/569975196.db2.gz VHURBGARIOYNOU-JLHYYAGUSA-N 1 2 475.614 3.983 40 0 JHABLO O=C(CN(Cc1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)cc1)NCCCn1cc[nH+]c1 ZINC000408621637 569978423 /nfs/dbraw/zinc/97/84/23/569978423.db2.gz NNPICHKIQUAJGW-UHFFFAOYSA-N 1 2 481.405 3.587 40 0 JHABLO Cc1ccc(S(=O)(=O)N(CC(=O)NCCCn2cc[nH+]c2)Cc2ccc(Cl)c(Cl)c2)cc1 ZINC000408624156 569979527 /nfs/dbraw/zinc/97/95/27/569979527.db2.gz USBKBDIWBVQSIE-UHFFFAOYSA-N 1 2 495.432 3.896 40 0 JHABLO CCOc1ccc(N2C(=O)[C@@H]3[C@H](c4ccccc4C)[NH2+][C@](CCSC)(C(=O)OC)[C@H]3C2=O)cc1 ZINC000245229892 570056330 /nfs/dbraw/zinc/05/63/30/570056330.db2.gz IBZBIEOVNWOVDH-MSZDEVHKSA-N 1 2 482.602 3.509 40 0 JHABLO CNC(=O)c1cccc([C@@H]2CN(C(=O)c3ccc(Cl)c(N4CCCCC4)c3)CC[N@@H+]2C)c1 ZINC000257200060 570107758 /nfs/dbraw/zinc/10/77/58/570107758.db2.gz ABWCGZRYALPOOV-QHCPKHFHSA-N 1 2 455.002 3.819 40 0 JHABLO CNC(=O)c1cccc([C@@H]2CN(C(=O)c3ccc(Cl)c(N4CCCCC4)c3)CC[N@H+]2C)c1 ZINC000257200060 570107760 /nfs/dbraw/zinc/10/77/60/570107760.db2.gz ABWCGZRYALPOOV-QHCPKHFHSA-N 1 2 455.002 3.819 40 0 JHABLO Cc1[nH]ncc1C[N@@H+]1CCC[C@](COc2ccc(Cl)c(C)c2)(CC(=O)N2CCOCC2)C1 ZINC000257222879 570114903 /nfs/dbraw/zinc/11/49/03/570114903.db2.gz DUYRWAFMBYNSPF-DEOSSOPVSA-N 1 2 461.006 3.590 40 0 JHABLO Cc1[nH]ncc1C[N@H+]1CCC[C@](COc2ccc(Cl)c(C)c2)(CC(=O)N2CCOCC2)C1 ZINC000257222879 570114904 /nfs/dbraw/zinc/11/49/04/570114904.db2.gz DUYRWAFMBYNSPF-DEOSSOPVSA-N 1 2 461.006 3.590 40 0 JHABLO COc1ccccc1Oc1nccnc1C1CCN(C(=O)[C@H]2COCC[N@@H+]2C2CCCC2)CC1 ZINC000257229145 570116851 /nfs/dbraw/zinc/11/68/51/570116851.db2.gz FWVJGVVSQIJRSI-OAQYLSRUSA-N 1 2 466.582 3.627 40 0 JHABLO COc1ccccc1Oc1nccnc1C1CCN(C(=O)[C@H]2COCC[N@H+]2C2CCCC2)CC1 ZINC000257229145 570116852 /nfs/dbraw/zinc/11/68/52/570116852.db2.gz FWVJGVVSQIJRSI-OAQYLSRUSA-N 1 2 466.582 3.627 40 0 JHABLO COc1ccc(C)cc1NC(=O)C[NH+]1CCC2(CC1)CCC(C)(C)N(S(=O)(=O)CC(C)C)C2 ZINC000257235546 570118764 /nfs/dbraw/zinc/11/87/64/570118764.db2.gz GYGDGUASXVRGSZ-UHFFFAOYSA-N 1 2 479.687 3.885 40 0 JHABLO C[NH+](C)Cc1nnnn1-c1cccc(C(=O)N2CCC[C@H]2c2ccnc(-c3cccc(Cl)c3)n2)c1 ZINC000257274037 570130880 /nfs/dbraw/zinc/13/08/80/570130880.db2.gz NJGQLCAPSCRJFM-QFIPXVFZSA-N 1 2 488.983 3.812 40 0 JHABLO CCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@H]2c1cc(Br)ccc1OC ZINC000261362121 570167567 /nfs/dbraw/zinc/16/75/67/570167567.db2.gz CFHCBPVMOWLKSF-HXUWFJFHSA-O 1 2 488.387 3.933 40 0 JHABLO CCC(=O)N1c2ccccc2-c2c(=O)[nH]c(SC)n[n+]2[C@H]1c1cc(Br)ccc1OC ZINC000261363224 570167851 /nfs/dbraw/zinc/16/78/51/570167851.db2.gz GNACWNKERSEFRC-FQEVSTJZSA-O 1 2 488.387 3.933 40 0 JHABLO CCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@@H]2c1cc(OC)c(OC)cc1Cl ZINC000261364258 570168416 /nfs/dbraw/zinc/16/84/16/570168416.db2.gz KGINIBALDZCUAU-NRFANRHFSA-O 1 2 473.962 3.833 40 0 JHABLO CCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@@H]2c1cn(C(C)=O)c2ccccc12 ZINC000261364103 570168430 /nfs/dbraw/zinc/16/84/30/570168430.db2.gz JGNNCGKAALHGSF-QHCPKHFHSA-O 1 2 460.539 3.777 40 0 JHABLO CCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@@H]2c1cc(Cl)cc(OC)c1OC ZINC000261365246 570168951 /nfs/dbraw/zinc/16/89/51/570168951.db2.gz QXESGOJCPQQGGS-NRFANRHFSA-O 1 2 473.962 3.833 40 0 JHABLO O=C(c1nc([C@H]2CCCN2C(=O)c2ccccc2)n2ccccc12)N1CCN(c2cccc[nH+]2)CC1 ZINC000306130402 570178169 /nfs/dbraw/zinc/17/81/69/570178169.db2.gz JFFBORQFTTVQLU-HSZRJFAPSA-N 1 2 480.572 3.669 40 0 JHABLO O=C(c1nc([C@@H]2CCCN(C(=O)c3ccccc3)C2)n2ccccc12)N1CCN(c2cccc[nH+]2)CC1 ZINC000306137261 570178634 /nfs/dbraw/zinc/17/86/34/570178634.db2.gz QRCFDPATOJYEOQ-HSZRJFAPSA-N 1 2 494.599 3.712 40 0 JHABLO OCCCNc1nc(NCc2ccccc2Cl)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000329023076 570182049 /nfs/dbraw/zinc/18/20/49/570182049.db2.gz OSCXHOMDHLTTBY-UHFFFAOYSA-N 1 2 452.864 3.946 40 0 JHABLO