smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1cc(C[N@@H+]2CC[C@@]3(NC(C)=O)C[NH2+]C[C@H]3C2)ccc1OC(C)C ZINC000019713001 518829788 /nfs/dbraw/zinc/82/97/88/518829788.db2.gz HHTAHJLEVXGWSO-FXAWDEMLSA-N 2 2 361.486 1.782 40 0 FDABLP COc1cc(C[N@H+]2CC[C@@]3(NC(C)=O)C[NH2+]C[C@H]3C2)ccc1OC(C)C ZINC000019713001 518829795 /nfs/dbraw/zinc/82/97/95/518829795.db2.gz HHTAHJLEVXGWSO-FXAWDEMLSA-N 2 2 361.486 1.782 40 0 FDABLP CCOc1cc([C@H]([NH3+])c2nnc(CC[NH+]3CCOCC3)[nH]2)ccc1OC ZINC000095534412 525107480 /nfs/dbraw/zinc/10/74/80/525107480.db2.gz NQWPZHMNXGCNIA-KRWDZBQOSA-N 2 2 361.446 1.135 40 0 FDABLP Cc1nc(C[N@@H+]2CCO[C@@H]3CN(C(=O)C[NH+](C)C)CC[C@@H]3C2)cs1 ZINC000096082362 525130478 /nfs/dbraw/zinc/13/04/78/525130478.db2.gz AKNOHOAGEBHRDH-GDBMZVCRSA-N 2 2 352.504 1.062 40 0 FDABLP Cc1nc(C[N@H+]2CCO[C@@H]3CN(C(=O)C[NH+](C)C)CC[C@@H]3C2)cs1 ZINC000096082362 525130487 /nfs/dbraw/zinc/13/04/87/525130487.db2.gz AKNOHOAGEBHRDH-GDBMZVCRSA-N 2 2 352.504 1.062 40 0 FDABLP O=C(NCC[NH+]1CCCC1)[C@@H]1C[C@@H]2[C@@H](CC[N@@H+]2Cc2nccs2)O1 ZINC000096082993 525131033 /nfs/dbraw/zinc/13/10/33/525131033.db2.gz AGIDCQAYFGQFPP-KFWWJZLASA-N 2 2 350.488 1.087 40 0 FDABLP O=C(NCC[NH+]1CCCC1)[C@@H]1C[C@@H]2[C@@H](CC[N@H+]2Cc2nccs2)O1 ZINC000096082993 525131036 /nfs/dbraw/zinc/13/10/36/525131036.db2.gz AGIDCQAYFGQFPP-KFWWJZLASA-N 2 2 350.488 1.087 40 0 FDABLP Cn1c[nH+]c2c1[C@H](C(=O)N1CC[C@H]([NH+](C)C)C1)N(Cc1ccccc1)CC2 ZINC000096147172 525138914 /nfs/dbraw/zinc/13/89/14/525138914.db2.gz IUSKODJZYAYUPS-FXAWDEMLSA-N 2 2 367.497 1.682 40 0 FDABLP Cn1cnc2c1[C@H](C(=O)N1CC[C@H]([NH+](C)C)C1)[N@H+](Cc1ccccc1)CC2 ZINC000096147172 525138922 /nfs/dbraw/zinc/13/89/22/525138922.db2.gz IUSKODJZYAYUPS-FXAWDEMLSA-N 2 2 367.497 1.682 40 0 FDABLP Cn1cnc2c1[C@H](C(=O)N1CC[C@H]([NH+](C)C)C1)[N@@H+](Cc1ccccc1)CC2 ZINC000096147172 525138929 /nfs/dbraw/zinc/13/89/29/525138929.db2.gz IUSKODJZYAYUPS-FXAWDEMLSA-N 2 2 367.497 1.682 40 0 FDABLP Cn1cc(C[N@@H+]2CC[C@@]3(C[NH+](C)C[C@H]3COCc3cccnc3)C2)cn1 ZINC000096218548 525152479 /nfs/dbraw/zinc/15/24/79/525152479.db2.gz ROAPJOTZEJVATH-VQTJNVASSA-N 2 2 355.486 1.786 40 0 FDABLP Cn1cc(C[N@H+]2CC[C@@]3(C[NH+](C)C[C@H]3COCc3cccnc3)C2)cn1 ZINC000096218548 525152486 /nfs/dbraw/zinc/15/24/86/525152486.db2.gz ROAPJOTZEJVATH-VQTJNVASSA-N 2 2 355.486 1.786 40 0 FDABLP Cn1cc(C[NH+]2CC[C@]3(C2)C[N@H+](C)C[C@H]3COCc2cccnc2)cn1 ZINC000096218548 525152496 /nfs/dbraw/zinc/15/24/96/525152496.db2.gz ROAPJOTZEJVATH-VQTJNVASSA-N 2 2 355.486 1.786 40 0 FDABLP Cn1cc(C[NH+]2CC[C@]3(C2)C[N@@H+](C)C[C@H]3COCc2cccnc2)cn1 ZINC000096218548 525152502 /nfs/dbraw/zinc/15/25/02/525152502.db2.gz ROAPJOTZEJVATH-VQTJNVASSA-N 2 2 355.486 1.786 40 0 FDABLP O=C(NCCc1cccs1)[C@@H]1C[N@@H+](C2CCOCC2)Cc2c[nH+]cn21 ZINC000247492148 537125076 /nfs/dbraw/zinc/12/50/76/537125076.db2.gz MWGOKZSAAYBUKF-KRWDZBQOSA-N 2 2 360.483 1.839 40 0 FDABLP O=C(NCCc1cccs1)[C@@H]1C[N@H+](C2CCOCC2)Cc2c[nH+]cn21 ZINC000247492148 537125078 /nfs/dbraw/zinc/12/50/78/537125078.db2.gz MWGOKZSAAYBUKF-KRWDZBQOSA-N 2 2 360.483 1.839 40 0 FDABLP CN(C)C(=O)C[N@@H+]1C[C@@H]2C[NH+]([C@H]3CCOC3)CC[C@@]2(c2ccccc2)C1 ZINC000248030578 537163482 /nfs/dbraw/zinc/16/34/82/537163482.db2.gz TVENHBIRKTWDRL-DYXWJJEUSA-N 2 2 357.498 1.439 40 0 FDABLP CN(C)C(=O)C[N@H+]1C[C@@H]2C[NH+]([C@H]3CCOC3)CC[C@@]2(c2ccccc2)C1 ZINC000248030578 537163484 /nfs/dbraw/zinc/16/34/84/537163484.db2.gz TVENHBIRKTWDRL-DYXWJJEUSA-N 2 2 357.498 1.439 40 0 FDABLP CN(C)C(=O)C[NH+]1C[C@@H]2C[N@H+]([C@H]3CCOC3)CC[C@@]2(c2ccccc2)C1 ZINC000248030578 537163488 /nfs/dbraw/zinc/16/34/88/537163488.db2.gz TVENHBIRKTWDRL-DYXWJJEUSA-N 2 2 357.498 1.439 40 0 FDABLP O[C@@H]1CC[N@H+](Cc2nc(C3(O)CC[NH+](C4CCCC4)CC3)cs2)C1 ZINC000225464918 537549979 /nfs/dbraw/zinc/54/99/79/537549979.db2.gz IIMMSAYRJLNMRO-OAHLLOKOSA-N 2 2 351.516 1.936 40 0 biogenic,in-vitro FDABLP O[C@@H]1CC[N@@H+](Cc2nc(C3(O)CC[NH+](C4CCCC4)CC3)cs2)C1 ZINC000225464918 537549985 /nfs/dbraw/zinc/54/99/85/537549985.db2.gz IIMMSAYRJLNMRO-OAHLLOKOSA-N 2 2 351.516 1.936 40 0 biogenic,in-vitro FDABLP CC[N@H+](Cc1ccc(NC(C)=O)cc1)C[C@]1(C)Cc2c(nc(N)[nH+]c2N)O1 ZINC000257233040 571321779 /nfs/dbraw/zinc/32/17/79/571321779.db2.gz GNLYIGGMTDTAJB-IBGZPJMESA-N 2 2 370.457 1.815 40 0 FDABLP CC[N@@H+](Cc1ccc(NC(C)=O)cc1)C[C@]1(C)Cc2c(nc(N)[nH+]c2N)O1 ZINC000257233040 571321780 /nfs/dbraw/zinc/32/17/80/571321780.db2.gz GNLYIGGMTDTAJB-IBGZPJMESA-N 2 2 370.457 1.815 40 0 FDABLP O=C(C[C@@H]1[NH2+][C@H]2CCCC[C@@H]2NC1=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000004487600 204140988 /nfs/dbraw/zinc/14/09/88/204140988.db2.gz ROUPVEVEXKIBOB-FHWLQOOXSA-N 2 2 370.497 1.120 40 0 FDABLP CCc1[nH+]ccn1CCC(=O)NC[C@]1(O)CCCN(c2cccc[nH+]2)C1 ZINC000257268847 132295780 /nfs/dbraw/zinc/29/57/80/132295780.db2.gz MNLYGYTXWIVMTE-LJQANCHMSA-N 2 2 357.458 1.378 40 0 FDABLP O=C(NCCc1cccs1)[C@H]1C[N@@H+](C2CCOCC2)Cc2c[nH+]cn21 ZINC000247492151 537125175 /nfs/dbraw/zinc/12/51/75/537125175.db2.gz MWGOKZSAAYBUKF-QGZVFWFLSA-N 2 2 360.483 1.839 40 0 FDABLP O=C(NCCc1cccs1)[C@H]1C[N@H+](C2CCOCC2)Cc2c[nH+]cn21 ZINC000247492151 537125177 /nfs/dbraw/zinc/12/51/77/537125177.db2.gz MWGOKZSAAYBUKF-QGZVFWFLSA-N 2 2 360.483 1.839 40 0 FDABLP C[NH+](C)C[C@@H]1CN(C(=O)c2ccc3c(c2)OCCCO3)Cc2c[nH+]cn21 ZINC000248112243 537166726 /nfs/dbraw/zinc/16/67/26/537166726.db2.gz KKAONOGYZHEWIE-MRXNPFEDSA-N 2 2 356.426 1.803 40 0 FDABLP Cn1c[nH+]cc1CN1CC2(C1)C[N@H+](Cc1ccccc1)C[C@@H]1COCCN12 ZINC000604381786 553870202 /nfs/dbraw/zinc/87/02/02/553870202.db2.gz OGZWOUAATOZEID-HXUWFJFHSA-N 2 2 367.497 1.191 40 0 biogenic,in-vitro FDABLP Cn1c[nH+]cc1CN1CC2(C1)C[N@@H+](Cc1ccccc1)C[C@@H]1COCCN12 ZINC000604381786 553870206 /nfs/dbraw/zinc/87/02/06/553870206.db2.gz OGZWOUAATOZEID-HXUWFJFHSA-N 2 2 367.497 1.191 40 0 biogenic,in-vitro FDABLP C[NH+]1CCC(CC(=O)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)CC1 ZINC000201733595 570903417 /nfs/dbraw/zinc/90/34/17/570903417.db2.gz PRPDQNHTOODONY-UHFFFAOYSA-N 2 2 359.470 1.791 40 0 FDABLP CCOC(=O)C1=C(O)NC(N2CC[NH+](CC)CC2)=[NH+][C@H]1c1cccc(C)c1 ZINC000054112904 205197485 /nfs/dbraw/zinc/19/74/85/205197485.db2.gz ANIUPIGGXJOUQI-SJORKVTESA-N 2 2 372.469 1.339 40 0 FDABLP C[NH+]1CCN(C(=O)[C@@H]2CC[C@@H]3[C@@H](CC[N@@H+]3Cc3ccc(F)cc3)O2)CC1 ZINC000096057345 525130970 /nfs/dbraw/zinc/13/09/70/525130970.db2.gz WIZMIRAJYJBAOE-QRVBRYPASA-N 2 2 361.461 1.722 40 0 FDABLP C[NH+]1CCN(C(=O)[C@@H]2CC[C@@H]3[C@@H](CC[N@H+]3Cc3ccc(F)cc3)O2)CC1 ZINC000096057345 525130976 /nfs/dbraw/zinc/13/09/76/525130976.db2.gz WIZMIRAJYJBAOE-QRVBRYPASA-N 2 2 361.461 1.722 40 0 FDABLP CC1CC[NH+]([C@H]2[C@@H](C[NH2+]Cc3cccc(Cl)c3)O[C@@H](CO)[C@H]2O)CC1 ZINC000096482536 525161663 /nfs/dbraw/zinc/16/16/63/525161663.db2.gz PGGIUCVLNLMDKS-YDZRNGNQSA-N 2 2 368.905 1.651 40 0 biogenic,in-vitro FDABLP COc1cccc(Nc2ncnn3ccc(C[N@@H+]4CC[C@H]([NH3+])[C@H](O)C4)c23)c1 ZINC000098091230 525200583 /nfs/dbraw/zinc/20/05/83/525200583.db2.gz CSGQVNMSRKWUSH-DLBZAZTESA-N 2 2 368.441 1.375 40 0 FDABLP COc1cccc(Nc2ncnn3ccc(C[N@H+]4CC[C@H]([NH3+])[C@H](O)C4)c23)c1 ZINC000098091230 525200594 /nfs/dbraw/zinc/20/05/94/525200594.db2.gz CSGQVNMSRKWUSH-DLBZAZTESA-N 2 2 368.441 1.375 40 0 FDABLP O[C@@H]1CC[N@H+](Cc2nc(C3(O)CC[NH+](Cc4ccccn4)CC3)cs2)C1 ZINC000225422427 537547741 /nfs/dbraw/zinc/54/77/41/537547741.db2.gz YQSJJDREXXWLFZ-MRXNPFEDSA-N 2 2 374.510 1.588 40 0 biogenic,in-vitro FDABLP O[C@@H]1CC[N@@H+](Cc2nc(C3(O)CC[NH+](Cc4ccccn4)CC3)cs2)C1 ZINC000225422427 537547744 /nfs/dbraw/zinc/54/77/44/537547744.db2.gz YQSJJDREXXWLFZ-MRXNPFEDSA-N 2 2 374.510 1.588 40 0 biogenic,in-vitro FDABLP Cc1ncsc1C[N@@H+]1CCOC[C@]2(CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC000306138404 571040681 /nfs/dbraw/zinc/04/06/81/571040681.db2.gz RWWZSWKCZUVEKH-AEFFLSMTSA-N 2 2 367.515 1.534 40 0 FDABLP Cc1ncsc1C[N@H+]1CCOC[C@]2(CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC000306138404 571040686 /nfs/dbraw/zinc/04/06/86/571040686.db2.gz RWWZSWKCZUVEKH-AEFFLSMTSA-N 2 2 367.515 1.534 40 0 FDABLP Cc1[nH+]ccn1[C@@H]1CC[C@@H](NC(=O)Cn2c(C)[nH+]c3ccccc32)[C@H]1O ZINC000257208532 571150092 /nfs/dbraw/zinc/15/00/92/571150092.db2.gz BMNPMQAWGJKNNA-SZVBFZGTSA-N 2 2 353.426 1.730 40 0 FDABLP c1cc(C[N@H+]2CCOC[C@]3(CC[C@@H](C[NH+]4CCOCC4)O3)C2)cs1 ZINC000107739654 206022415 /nfs/dbraw/zinc/02/24/15/206022415.db2.gz GADBELFIJSVHHF-ROUUACIJSA-N 2 2 352.500 1.830 40 0 FDABLP c1cc(C[N@@H+]2CCOC[C@]3(CC[C@@H](C[NH+]4CCOCC4)O3)C2)cs1 ZINC000107739654 206022420 /nfs/dbraw/zinc/02/24/20/206022420.db2.gz GADBELFIJSVHHF-ROUUACIJSA-N 2 2 352.500 1.830 40 0 FDABLP O=C(C[NH+]1Cc2ccccc2C1)N1CCC[C@H]1c1ncc2c(n1)CC[NH2+]C2 ZINC000019375537 518809966 /nfs/dbraw/zinc/80/99/66/518809966.db2.gz WGZFAJDAJKLDQE-IBGZPJMESA-N 2 2 363.465 1.802 40 0 FDABLP O=S1(=O)CC[C@H]([NH2+]CCn2c[nH+]cc2-c2c[nH]nc2-c2ccccc2)C1 ZINC000019719567 518833083 /nfs/dbraw/zinc/83/30/83/518833083.db2.gz CJTKXIXAOQSAAS-HNNXBMFYSA-N 2 2 371.466 1.717 40 0 FDABLP c1csc(C[N@H+]2CCOC[C@@]3(CC[C@H](C[NH+]4CCOCC4)O3)C2)c1 ZINC000096052352 525128516 /nfs/dbraw/zinc/12/85/16/525128516.db2.gz VLOPLKIFDCEXIE-SJLPKXTDSA-N 2 2 352.500 1.830 40 0 FDABLP c1csc(C[N@@H+]2CCOC[C@@]3(CC[C@H](C[NH+]4CCOCC4)O3)C2)c1 ZINC000096052352 525128521 /nfs/dbraw/zinc/12/85/21/525128521.db2.gz VLOPLKIFDCEXIE-SJLPKXTDSA-N 2 2 352.500 1.830 40 0 FDABLP Cc1cc(=O)n2c(n1)NC(N1CC[NH+](C)CC1)=[NH+][C@@H]2c1ccccc1Cl ZINC000104280074 525403888 /nfs/dbraw/zinc/40/38/88/525403888.db2.gz UGZGGHQIYVVOHJ-INIZCTEOSA-N 2 2 372.860 1.781 40 0 FDABLP c1cc(C[NH+]2CC3(C2)CC[C@@H](C[NH+]2CCOCC2)CO3)cc2c1OCO2 ZINC000248332746 526422281 /nfs/dbraw/zinc/42/22/81/526422281.db2.gz JEHJSZHZXKDAKZ-KRWDZBQOSA-N 2 2 360.454 1.729 40 0 FDABLP CCC[NH+]1CCC([N@@H+]2C[C@@H]3CN(S(=O)(=O)c4ccccc4)C[C@H]32)CC1 ZINC000248181121 537170335 /nfs/dbraw/zinc/17/03/35/537170335.db2.gz YRNPAVHBFNXETG-QFBILLFUSA-N 2 2 363.527 1.866 40 0 FDABLP CCC[NH+]1CCC([N@H+]2C[C@@H]3CN(S(=O)(=O)c4ccccc4)C[C@H]32)CC1 ZINC000248181121 537170338 /nfs/dbraw/zinc/17/03/38/537170338.db2.gz YRNPAVHBFNXETG-QFBILLFUSA-N 2 2 363.527 1.866 40 0 FDABLP C[N@H+](Cc1ccccc1)[C@@H]1[C@@H](C[NH2+]Cc2ccc(F)cc2)O[C@@H](CO)[C@H]1O ZINC000096482534 525161599 /nfs/dbraw/zinc/16/15/99/525161599.db2.gz OYTNJOYCFVAJEH-PLACYPQZSA-N 2 2 374.456 1.537 40 0 biogenic,in-vitro FDABLP C[N@@H+](Cc1ccccc1)[C@@H]1[C@@H](C[NH2+]Cc2ccc(F)cc2)O[C@@H](CO)[C@H]1O ZINC000096482534 525161610 /nfs/dbraw/zinc/16/16/10/525161610.db2.gz OYTNJOYCFVAJEH-PLACYPQZSA-N 2 2 374.456 1.537 40 0 biogenic,in-vitro FDABLP Cc1cc(=O)n2c(n1)NC(N1CC[NH+](C)CC1)=[NH+][C@@H]2c1cccc(Cl)c1 ZINC000104280020 525403451 /nfs/dbraw/zinc/40/34/51/525403451.db2.gz XDFXMNGEVIQLTH-INIZCTEOSA-N 2 2 372.860 1.781 40 0 FDABLP CC1(C)NC(=[NH2+])NC(=[NH2+])N1c1cccc(C(=O)NCc2cccnc2)c1 ZINC000001717001 534962243 /nfs/dbraw/zinc/96/22/43/534962243.db2.gz XTMUHCQNRXGBQD-UHFFFAOYSA-N 2 2 351.414 1.197 40 0 FDABLP C[NH+](C)C[C@H]1CN(C(=O)c2ccc3c(c2)OCCCO3)Cc2c[nH+]cn21 ZINC000248112238 537166878 /nfs/dbraw/zinc/16/68/78/537166878.db2.gz KKAONOGYZHEWIE-INIZCTEOSA-N 2 2 356.426 1.803 40 0 FDABLP C[N@@H+]1CCC[C@@H]1c1nc(C(=O)NCCC[NH+]2CCOCC2)c2ccccn21 ZINC000306128897 537602357 /nfs/dbraw/zinc/60/23/57/537602357.db2.gz HNUYPIWCMMLDHR-QGZVFWFLSA-N 2 2 371.485 1.553 40 0 FDABLP C[N@H+]1CCC[C@@H]1c1nc(C(=O)NCCC[NH+]2CCOCC2)c2ccccn21 ZINC000306128897 537602365 /nfs/dbraw/zinc/60/23/65/537602365.db2.gz HNUYPIWCMMLDHR-QGZVFWFLSA-N 2 2 371.485 1.553 40 0 FDABLP Cc1cc(N2CC[C@@](O)(C[NH2+]Cc3ccc(OCCF)cc3)C2)nc[nH+]1 ZINC000257335711 570626819 /nfs/dbraw/zinc/62/68/19/570626819.db2.gz YLNCSYUWTNZGIQ-LJQANCHMSA-N 2 2 360.433 1.864 40 0 FDABLP C[NH+]1CCC2(CCC[N@H+](Cc3nccs3)[C@H]2CNS(C)(=O)=O)CC1 ZINC000306140298 571041401 /nfs/dbraw/zinc/04/14/01/571041401.db2.gz UPCDSWBUKUZMEB-AWEZNQCLSA-N 2 2 372.560 1.369 40 0 FDABLP C[NH+]1CCC2(CCC[N@@H+](Cc3nccs3)[C@H]2CNS(C)(=O)=O)CC1 ZINC000306140298 571041404 /nfs/dbraw/zinc/04/14/04/571041404.db2.gz UPCDSWBUKUZMEB-AWEZNQCLSA-N 2 2 372.560 1.369 40 0 FDABLP C[NH+]1CCN(CCNc2cc(-c3cccnc3)[nH+]c(NC(C)(C)C)n2)CC1 ZINC000329001388 571128911 /nfs/dbraw/zinc/12/89/11/571128911.db2.gz KEADZCNIWAOLLV-UHFFFAOYSA-N 2 2 369.517 2.408 40 0 FDABLP O=C(C[C@H]1[NH2+][C@H]2CCCC[C@@H]2NC1=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000004487599 204140828 /nfs/dbraw/zinc/14/08/28/204140828.db2.gz ROUPVEVEXKIBOB-GBESFXJTSA-N 2 2 370.497 1.120 40 0 FDABLP O=C(NC[C@H]1C[C@@H]2CC[N@H+]1C[C@@H]2C[NH+]1CCOCC1)Nc1ccsc1 ZINC000012601830 206294516 /nfs/dbraw/zinc/29/45/16/206294516.db2.gz LOPGTKAIHSYHLH-YQQAZPJKSA-N 2 2 364.515 1.912 40 0 biogenic,in-vitro FDABLP CCOc1cc(C[NH2+]CC[NH2+]CCO)cc(Br)c1OCC ZINC000022076031 518892875 /nfs/dbraw/zinc/89/28/75/518892875.db2.gz CIEGPLJZGMREIU-UHFFFAOYSA-N 2 2 361.280 1.918 40 0 FDABLP c1cc(C[N@H+]2CCOC[C@@]3(CC[C@H](C[NH+]4CCOCC4)O3)C2)cs1 ZINC000096052354 525128358 /nfs/dbraw/zinc/12/83/58/525128358.db2.gz GADBELFIJSVHHF-QZTJIDSGSA-N 2 2 352.500 1.830 40 0 FDABLP c1cc(C[N@@H+]2CCOC[C@@]3(CC[C@H](C[NH+]4CCOCC4)O3)C2)cs1 ZINC000096052354 525128363 /nfs/dbraw/zinc/12/83/63/525128363.db2.gz GADBELFIJSVHHF-QZTJIDSGSA-N 2 2 352.500 1.830 40 0 FDABLP C[NH+](C)CC[C@@H]1CN(Cc2ccc(S(C)(=O)=O)cc2)Cc2c[nH+]cn21 ZINC000248122013 537167576 /nfs/dbraw/zinc/16/75/76/537167576.db2.gz NJBNPHXRCPOAPB-MRXNPFEDSA-N 2 2 362.499 1.795 40 0 FDABLP Cc1ncsc1C[N@@H+]1CCOC[C@]2(CC[C@@H](C[NH+]3CCOCC3)O2)C1 ZINC000306138407 571041070 /nfs/dbraw/zinc/04/10/70/571041070.db2.gz RWWZSWKCZUVEKH-WMZOPIPTSA-N 2 2 367.515 1.534 40 0 FDABLP Cc1ncsc1C[N@H+]1CCOC[C@]2(CC[C@@H](C[NH+]3CCOCC3)O2)C1 ZINC000306138407 571041072 /nfs/dbraw/zinc/04/10/72/571041072.db2.gz RWWZSWKCZUVEKH-WMZOPIPTSA-N 2 2 367.515 1.534 40 0 FDABLP Cc1[nH+]c2ccccc2n1CC(=O)N1CC[C@H](O)[C@@H](n2cc[nH+]c2)CC1 ZINC000257234603 571152769 /nfs/dbraw/zinc/15/27/69/571152769.db2.gz GUICRTSFEOHGPG-ROUUACIJSA-N 2 2 353.426 1.766 40 0 FDABLP c1csc(C[N@H+]2CCOC[C@@]3(CC[C@@H](C[NH+]4CCOCC4)O3)C2)c1 ZINC000107739650 206023899 /nfs/dbraw/zinc/02/38/99/206023899.db2.gz VLOPLKIFDCEXIE-FUHWJXTLSA-N 2 2 352.500 1.830 40 0 FDABLP c1csc(C[N@@H+]2CCOC[C@@]3(CC[C@@H](C[NH+]4CCOCC4)O3)C2)c1 ZINC000107739650 206023901 /nfs/dbraw/zinc/02/39/01/206023901.db2.gz VLOPLKIFDCEXIE-FUHWJXTLSA-N 2 2 352.500 1.830 40 0 FDABLP CO[C@@H](C)[C@@H](C)[NH2+]Cc1ccccc1S(=O)(=O)N1CC[NH+](C)CC1 ZINC000268958296 258432543 /nfs/dbraw/zinc/43/25/43/258432543.db2.gz XBJFEHCEGQOUBG-CABCVRRESA-N 2 2 355.504 1.136 40 0 FDABLP c1cc(C[N@H+]2CCOC[C@]3(CC[C@H](C[NH+]4CCOCC4)O3)C2)cs1 ZINC000096052353 525126675 /nfs/dbraw/zinc/12/66/75/525126675.db2.gz GADBELFIJSVHHF-MSOLQXFVSA-N 2 2 352.500 1.830 40 0 FDABLP c1cc(C[N@@H+]2CCOC[C@]3(CC[C@H](C[NH+]4CCOCC4)O3)C2)cs1 ZINC000096052353 525126681 /nfs/dbraw/zinc/12/66/81/525126681.db2.gz GADBELFIJSVHHF-MSOLQXFVSA-N 2 2 352.500 1.830 40 0 FDABLP O=C1CC[C@@H]2[C@@H](CC[N@H+]2Cc2ccc(F)cc2)N1CC[NH+]1CCOCC1 ZINC000096056565 525126711 /nfs/dbraw/zinc/12/67/11/525126711.db2.gz GGYMBPOADYHUNK-RTBURBONSA-N 2 2 361.461 1.723 40 0 FDABLP O=C1CC[C@@H]2[C@@H](CC[N@@H+]2Cc2ccc(F)cc2)N1CC[NH+]1CCOCC1 ZINC000096056565 525126717 /nfs/dbraw/zinc/12/67/17/525126717.db2.gz GGYMBPOADYHUNK-RTBURBONSA-N 2 2 361.461 1.723 40 0 FDABLP CN1CC[NH+](C[C@@H]2CC[C@@]3(COCC[N@H+](Cc4ccccc4)C3)O2)CC1 ZINC000096160305 525143815 /nfs/dbraw/zinc/14/38/15/525143815.db2.gz FPIFWDXHACCGHB-LEWJYISDSA-N 2 2 359.514 1.684 40 0 FDABLP CN1CC[NH+](C[C@@H]2CC[C@@]3(COCC[N@@H+](Cc4ccccc4)C3)O2)CC1 ZINC000096160305 525143822 /nfs/dbraw/zinc/14/38/22/525143822.db2.gz FPIFWDXHACCGHB-LEWJYISDSA-N 2 2 359.514 1.684 40 0 FDABLP O=C(COC[C@H]1C[N@H+](CC2CCOCC2)Cc2c[nH+]cn21)N1CCCC1 ZINC000247727109 537146529 /nfs/dbraw/zinc/14/65/29/537146529.db2.gz DENGZKPMGGOVLJ-GOSISDBHSA-N 2 2 362.474 1.305 40 0 FDABLP O=C(COC[C@H]1C[N@@H+](CC2CCOCC2)Cc2c[nH+]cn21)N1CCCC1 ZINC000247727109 537146532 /nfs/dbraw/zinc/14/65/32/537146532.db2.gz DENGZKPMGGOVLJ-GOSISDBHSA-N 2 2 362.474 1.305 40 0 FDABLP c1cc(C[NH+]2CC3(C2)CC[C@H](C[NH+]2CCOCC2)CO3)cc2c1OCO2 ZINC000248332747 537172697 /nfs/dbraw/zinc/17/26/97/537172697.db2.gz JEHJSZHZXKDAKZ-QGZVFWFLSA-N 2 2 360.454 1.729 40 0 FDABLP Cc1[nH+]ccn1[C@H]1[C@@H]2OC[C@@H](O2)[C@@H]([NH2+]Cc2cnccc2Cl)[C@@H]1O ZINC000952844909 960131339 /nfs/dbraw/zinc/13/13/39/960131339.db2.gz SDAFRPBCQJCAQG-DGXTUMSLSA-N 2 2 350.806 1.055 40 0 biogenic,in-vitro FDABLP Cc1cc(N2CCC[C@@](O)(CN(C)C(=O)CC[NH3+])C2)c2cnccc2[nH+]1 ZINC000257343401 132297479 /nfs/dbraw/zinc/29/74/79/132297479.db2.gz ZSVVLHRFWXTING-LJQANCHMSA-N 2 2 357.458 1.077 40 0 FDABLP O=C(C[N@H+]1CCc2nnc([C@H]3CCC[NH2+]3)n2CC1)Nc1ccc(F)cc1 ZINC000019706525 518828411 /nfs/dbraw/zinc/82/84/11/518828411.db2.gz YAWINSCEQVWGRS-OAHLLOKOSA-N 2 2 358.421 1.339 40 0 FDABLP O=C(C[N@@H+]1CCc2nnc([C@H]3CCC[NH2+]3)n2CC1)Nc1ccc(F)cc1 ZINC000019706525 518828416 /nfs/dbraw/zinc/82/84/16/518828416.db2.gz YAWINSCEQVWGRS-OAHLLOKOSA-N 2 2 358.421 1.339 40 0 FDABLP CN1[C@H](C(=O)N2CC[NH+](C)CC2)C[C@H]2C[N@@H+](Cc3ccc(F)cc3)C[C@H]21 ZINC000096054221 525126987 /nfs/dbraw/zinc/12/69/87/525126987.db2.gz OCCHUQFZKUGXHN-YTQUADARSA-N 2 2 360.477 1.104 40 0 FDABLP CN1[C@H](C(=O)N2CC[NH+](C)CC2)C[C@H]2C[N@H+](Cc3ccc(F)cc3)C[C@H]21 ZINC000096054221 525126992 /nfs/dbraw/zinc/12/69/92/525126992.db2.gz OCCHUQFZKUGXHN-YTQUADARSA-N 2 2 360.477 1.104 40 0 FDABLP C[N@H+]1[C@H](C(=O)N2CC[NH+](C)CC2)C[C@H]2CN(Cc3ccc(F)cc3)C[C@H]21 ZINC000096054221 525127002 /nfs/dbraw/zinc/12/70/02/525127002.db2.gz OCCHUQFZKUGXHN-YTQUADARSA-N 2 2 360.477 1.104 40 0 FDABLP C[N@@H+]1[C@H](C(=O)N2CC[NH+](C)CC2)C[C@H]2CN(Cc3ccc(F)cc3)C[C@H]21 ZINC000096054221 525127010 /nfs/dbraw/zinc/12/70/10/525127010.db2.gz OCCHUQFZKUGXHN-YTQUADARSA-N 2 2 360.477 1.104 40 0 FDABLP CN(C)C(=O)C[N@@H+]1C[C@@H]2C[NH+]([C@@H]3CCOC3)CC[C@@]2(c2ccccc2)C1 ZINC000248030579 537163527 /nfs/dbraw/zinc/16/35/27/537163527.db2.gz TVENHBIRKTWDRL-SBHAEUEKSA-N 2 2 357.498 1.439 40 0 FDABLP CN(C)C(=O)C[N@H+]1C[C@@H]2C[NH+]([C@@H]3CCOC3)CC[C@@]2(c2ccccc2)C1 ZINC000248030579 537163529 /nfs/dbraw/zinc/16/35/29/537163529.db2.gz TVENHBIRKTWDRL-SBHAEUEKSA-N 2 2 357.498 1.439 40 0 FDABLP CN(C)C(=O)C[NH+]1C[C@@H]2C[N@H+]([C@@H]3CCOC3)CC[C@@]2(c2ccccc2)C1 ZINC000248030579 537163532 /nfs/dbraw/zinc/16/35/32/537163532.db2.gz TVENHBIRKTWDRL-SBHAEUEKSA-N 2 2 357.498 1.439 40 0 FDABLP C[NH+](C)C[C@@H]1CN(S(=O)(=O)c2ccccc2Cl)Cc2c[nH+]cn21 ZINC000248146795 537168753 /nfs/dbraw/zinc/16/87/53/537168753.db2.gz VZKQMKOXBOMRKR-CYBMUJFWSA-N 2 2 354.863 1.844 40 0 FDABLP CN(C(=O)c1cccc(OCC[NH+](C)C)c1)[C@@H]1CC[C@@H](n2cc[nH+]c2)[C@@H]1O ZINC000257300086 571159599 /nfs/dbraw/zinc/15/95/99/571159599.db2.gz RSURTMVRIROUKI-GUDVDZBRSA-N 2 2 372.469 1.660 40 0 FDABLP Cn1c[nH+]c2c1[C@H](C(=O)N1CC[C@@H]([NH+](C)C)C1)N(Cc1ccccc1)CC2 ZINC000107186361 209275599 /nfs/dbraw/zinc/27/55/99/209275599.db2.gz IUSKODJZYAYUPS-YLJYHZDGSA-N 2 2 367.497 1.682 40 0 FDABLP Cn1cnc2c1[C@H](C(=O)N1CC[C@@H]([NH+](C)C)C1)[N@H+](Cc1ccccc1)CC2 ZINC000107186361 209275604 /nfs/dbraw/zinc/27/56/04/209275604.db2.gz IUSKODJZYAYUPS-YLJYHZDGSA-N 2 2 367.497 1.682 40 0 FDABLP Cn1cnc2c1[C@H](C(=O)N1CC[C@@H]([NH+](C)C)C1)[N@@H+](Cc1ccccc1)CC2 ZINC000107186361 209275605 /nfs/dbraw/zinc/27/56/05/209275605.db2.gz IUSKODJZYAYUPS-YLJYHZDGSA-N 2 2 367.497 1.682 40 0 FDABLP Cn1c2c(nc1C(=O)N1CCC[NH+](C)CC1)C[N@H+](Cc1ccccc1)CC2 ZINC000096147099 209123459 /nfs/dbraw/zinc/12/34/59/209123459.db2.gz UWLPOGCWYSJRHI-UHFFFAOYSA-N 2 2 367.497 1.756 40 0 FDABLP Cn1c2c(nc1C(=O)N1CCC[NH+](C)CC1)C[N@@H+](Cc1ccccc1)CC2 ZINC000096147099 209123462 /nfs/dbraw/zinc/12/34/62/209123462.db2.gz UWLPOGCWYSJRHI-UHFFFAOYSA-N 2 2 367.497 1.756 40 0 FDABLP Cn1c2c(nc1C(=O)N1CCC[N@H+](C)CC1)C[NH+](Cc1ccccc1)CC2 ZINC000096147099 209123464 /nfs/dbraw/zinc/12/34/64/209123464.db2.gz UWLPOGCWYSJRHI-UHFFFAOYSA-N 2 2 367.497 1.756 40 0 FDABLP Cn1c2c(nc1C(=O)N1CCC[N@@H+](C)CC1)C[NH+](Cc1ccccc1)CC2 ZINC000096147099 209123466 /nfs/dbraw/zinc/12/34/66/209123466.db2.gz UWLPOGCWYSJRHI-UHFFFAOYSA-N 2 2 367.497 1.756 40 0 FDABLP Cc1cccc(N2CCc3[nH+]c(N4CCOCC4)nc(N(C)C)c3C2)[nH+]1 ZINC000096254010 132224256 /nfs/dbraw/zinc/22/42/56/132224256.db2.gz QPPYYYGCVYKFFY-UHFFFAOYSA-N 2 2 354.458 1.645 40 0 FDABLP C[NH+](C)C[C@H]1CN(C(=O)c2cn3cc(Cl)ccc3n2)Cc2c[nH+]cn21 ZINC000306137386 571040482 /nfs/dbraw/zinc/04/04/82/571040482.db2.gz QVAXFAQLPVUBBP-AWEZNQCLSA-N 2 2 358.833 1.943 40 0 FDABLP CO[C@@H](C)[C@H](C)[NH2+]Cc1ccccc1S(=O)(=O)N1CC[NH+](C)CC1 ZINC000268958299 571143305 /nfs/dbraw/zinc/14/33/05/571143305.db2.gz XBJFEHCEGQOUBG-GJZGRUSLSA-N 2 2 355.504 1.136 40 0 FDABLP Cc1[nH+]c2ccccn2c1CC(=O)N[C@@H]1CCC[C@@H](n2cc[nH+]c2)[C@@H]1O ZINC000257243207 571153669 /nfs/dbraw/zinc/15/36/69/571153669.db2.gz IFWPAQOIZCPILH-SPYBWZPUSA-N 2 2 353.426 1.653 40 0 FDABLP Cc1[nH+]ccn1CC(=O)N1CCC(Cc2cnc(C[NH+](C)C)cn2)CC1 ZINC000257247507 571154258 /nfs/dbraw/zinc/15/42/58/571154258.db2.gz IZHNWOVMHKOLTO-UHFFFAOYSA-N 2 2 356.474 1.524 40 0 FDABLP C[NH+](C)Cc1cccc(-c2cccnc2C(=O)NCC[NH+]2CCOCC2)c1 ZINC000257300552 571159589 /nfs/dbraw/zinc/15/95/89/571159589.db2.gz RUSLHVAIZPMJSB-UHFFFAOYSA-N 2 2 368.481 1.872 40 0 FDABLP CCc1[nH+]ccn1CC(=O)N1CCO[C@@H](CCc2cc[nH+]c(NC)c2)C1 ZINC000257310521 571160682 /nfs/dbraw/zinc/16/06/82/571160682.db2.gz UFKLOPJFAHFPMS-INIZCTEOSA-N 2 2 357.458 1.742 40 0 FDABLP COc1ccc([C@H]2[NH+]=C(N3CC[NH+](C)CC3)Nc3nc(C)cc(=O)n32)cc1 ZINC000104280009 209260274 /nfs/dbraw/zinc/26/02/74/209260274.db2.gz RPXWDIQHNBQPMZ-KRWDZBQOSA-N 2 2 368.441 1.136 40 0 FDABLP COCC[N@@H+]1CCO[C@@H]2C[NH+](Cc3cc(OC)cc(OC)c3)C[C@@H]2C1 ZINC000096107983 209113336 /nfs/dbraw/zinc/11/33/36/209113336.db2.gz OMJASLUQNWRFQE-QFBILLFUSA-N 2 2 350.459 1.483 40 0 FDABLP COCC[N@H+]1CCO[C@@H]2C[NH+](Cc3cc(OC)cc(OC)c3)C[C@@H]2C1 ZINC000096107983 209113340 /nfs/dbraw/zinc/11/33/40/209113340.db2.gz OMJASLUQNWRFQE-QFBILLFUSA-N 2 2 350.459 1.483 40 0 FDABLP COCC[NH+]1CCO[C@@H]2C[N@H+](Cc3cc(OC)cc(OC)c3)C[C@@H]2C1 ZINC000096107983 209113343 /nfs/dbraw/zinc/11/33/43/209113343.db2.gz OMJASLUQNWRFQE-QFBILLFUSA-N 2 2 350.459 1.483 40 0 FDABLP COCC[NH+]1CCO[C@@H]2C[N@@H+](Cc3cc(OC)cc(OC)c3)C[C@@H]2C1 ZINC000096107983 209113346 /nfs/dbraw/zinc/11/33/46/209113346.db2.gz OMJASLUQNWRFQE-QFBILLFUSA-N 2 2 350.459 1.483 40 0 FDABLP NC(=[NH2+])NC(=[NH2+])Nc1ccc(-c2ccc(NC(=[NH2+])NC(N)=[NH2+])cc2)cc1 ZINC000008614414 207239215 /nfs/dbraw/zinc/23/92/15/207239215.db2.gz IIWFFCZNXIUDNS-UHFFFAOYSA-N 4 2 352.406 1.013 40 0 FDABLP Cc1[nH+]ccn1C[C@@]1(O)CN(C(=O)CCc2ccc(F)cc2)CC[N@@H+](C)C1 ZINC000072354531 522221552 /nfs/dbraw/zinc/22/15/52/522221552.db2.gz FOGQHEVHIIYYNZ-HXUWFJFHSA-N 2 2 374.460 1.469 40 0 FDABLP Cc1[nH+]ccn1C[C@@]1(O)CN(C(=O)CCc2ccc(F)cc2)CC[N@H+](C)C1 ZINC000072354531 522221556 /nfs/dbraw/zinc/22/15/56/522221556.db2.gz FOGQHEVHIIYYNZ-HXUWFJFHSA-N 2 2 374.460 1.469 40 0 FDABLP CC(C)Nc1nc(NCCN2CC[NH+](C)CC2)cc(-c2ccccc2)[nH+]1 ZINC000328995110 571106662 /nfs/dbraw/zinc/10/66/62/571106662.db2.gz JGBAYWZSMONFKR-UHFFFAOYSA-N 2 2 354.502 1.467 40 0 FDABLP Cc1[nH+]c2ccccc2n1CC(=O)N1CC[C@H](O)[C@@H]([NH+]2CCOCC2)CC1 ZINC000257267472 571156149 /nfs/dbraw/zinc/15/61/49/571156149.db2.gz MHLCBNPEFDJVHU-OALUTQOASA-N 2 2 372.469 1.029 40 0 FDABLP COc1ccccc1N1CC[NH+](CCNC(=O)[C@H]2CC[C@H](C[NH3+])CC2)CC1 ZINC000257205207 571202409 /nfs/dbraw/zinc/20/24/09/571202409.db2.gz AYBXXSRMBFTNPR-IYARVYRRSA-N 2 2 374.529 1.699 40 0 FDABLP CCOC(=O)[C@@H]([NH3+])CSCCCCSC[C@H]([NH3+])C(=O)OCC ZINC000004783082 207048120 /nfs/dbraw/zinc/04/81/20/207048120.db2.gz RITZJZRVOBCNDH-RYUDHWBXSA-N 2 2 352.522 1.014 40 0 FDABLP Cc1cc(N2CCC[C@](O)(CNC(=O)CCC[NH3+])C2)c2cnccc2[nH+]1 ZINC000257337847 132297545 /nfs/dbraw/zinc/29/75/45/132297545.db2.gz YURANJSIHNYTPO-IBGZPJMESA-N 2 2 357.458 1.125 40 0 FDABLP O=C(C[NH+]1CCCCC1)NCC[NH+]1CCC(O)(c2ccc(F)cc2)CC1 ZINC000012326165 518604874 /nfs/dbraw/zinc/60/48/74/518604874.db2.gz NIBHCMDJLBPLNL-UHFFFAOYSA-N 2 2 363.477 1.711 40 0 FDABLP CC(=O)N1CCN(c2cc(C)[nH+]c([C@@H]3CCC[N@H+]3CC(=O)N(C)C)c2)CC1 ZINC000019698170 518825628 /nfs/dbraw/zinc/82/56/28/518825628.db2.gz CGKVVEGTNNVDNO-IBGZPJMESA-N 2 2 373.501 1.284 40 0 FDABLP CC(=O)N1CCN(c2cc(C)[nH+]c([C@@H]3CCC[N@@H+]3CC(=O)N(C)C)c2)CC1 ZINC000019698170 518825631 /nfs/dbraw/zinc/82/56/31/518825631.db2.gz CGKVVEGTNNVDNO-IBGZPJMESA-N 2 2 373.501 1.284 40 0 FDABLP O=C(NC[C@H]1C[C@@H]2CC[N@H+]1C[C@@H]2C[NH+]1CCOCC1)Nc1ccccc1 ZINC000095252490 525026615 /nfs/dbraw/zinc/02/66/15/525026615.db2.gz XTNSIJFDDOBHFU-JENIJYKNSA-N 2 2 358.486 1.851 40 0 biogenic,in-vitro FDABLP CC[C@H](C)Nc1nc(NCCN2CC[NH+](C)CC2)cc(-c2ccccc2)[nH+]1 ZINC000329008142 571107087 /nfs/dbraw/zinc/10/70/87/571107087.db2.gz LQCQETHHABRQSP-KRWDZBQOSA-N 2 2 368.529 1.857 40 0 FDABLP CCc1[nH+]ccn1CC(=O)N(C)C[C@]1(O)CCCN(c2cccc[nH+]2)C1 ZINC000257254284 132295875 /nfs/dbraw/zinc/29/58/75/132295875.db2.gz KCLOFMVKRHTVII-LJQANCHMSA-N 2 2 357.458 1.330 40 0 FDABLP C[NH+]1CCN(c2nccc(C[NH+]3CCN(c4ccc(F)cc4)CC3)n2)CC1 ZINC000012143908 518591511 /nfs/dbraw/zinc/59/15/11/518591511.db2.gz NHORMMOFFSINJI-UHFFFAOYSA-N 2 2 370.476 1.690 40 0 FDABLP CCc1[nH+]ccn1-c1cccc([C@@H]2CCC[N@@H+]2CC(=O)N2CCOCC2)n1 ZINC000072379151 522228196 /nfs/dbraw/zinc/22/81/96/522228196.db2.gz DWLXWPKYNYKFGP-KRWDZBQOSA-N 2 2 369.469 1.825 40 0 FDABLP CCc1[nH+]ccn1-c1cccc([C@@H]2CCC[N@H+]2CC(=O)N2CCOCC2)n1 ZINC000072379151 522228228 /nfs/dbraw/zinc/22/82/28/522228228.db2.gz DWLXWPKYNYKFGP-KRWDZBQOSA-N 2 2 369.469 1.825 40 0 FDABLP Fc1ccc(C[N@@H+]2CCOC[C@]3(CC[C@@H](C[NH+]4CCOCC4)O3)C2)cc1 ZINC000247563594 537135368 /nfs/dbraw/zinc/13/53/68/537135368.db2.gz ZNOUBTJUXXVMAQ-PMACEKPBSA-N 2 2 364.461 1.908 40 0 FDABLP Fc1ccc(C[N@H+]2CCOC[C@]3(CC[C@@H](C[NH+]4CCOCC4)O3)C2)cc1 ZINC000247563594 537135371 /nfs/dbraw/zinc/13/53/71/537135371.db2.gz ZNOUBTJUXXVMAQ-PMACEKPBSA-N 2 2 364.461 1.908 40 0 FDABLP Cn1cc(C[N@@H+]2CC[C@@]3(C[NH+](C)C[C@H]3COCc3ccccn3)C2)cn1 ZINC000096216322 209136186 /nfs/dbraw/zinc/13/61/86/209136186.db2.gz RYYRSCRIXIECMH-AZUAARDMSA-N 2 2 355.486 1.786 40 0 FDABLP Cn1cc(C[N@H+]2CC[C@@]3(C[NH+](C)C[C@H]3COCc3ccccn3)C2)cn1 ZINC000096216322 209136190 /nfs/dbraw/zinc/13/61/90/209136190.db2.gz RYYRSCRIXIECMH-AZUAARDMSA-N 2 2 355.486 1.786 40 0 FDABLP Cn1cc(C[NH+]2CC[C@]3(C2)C[N@H+](C)C[C@H]3COCc2ccccn2)cn1 ZINC000096216322 209136192 /nfs/dbraw/zinc/13/61/92/209136192.db2.gz RYYRSCRIXIECMH-AZUAARDMSA-N 2 2 355.486 1.786 40 0 FDABLP Cn1cc(C[NH+]2CC[C@]3(C2)C[N@@H+](C)C[C@H]3COCc2ccccn2)cn1 ZINC000096216322 209136194 /nfs/dbraw/zinc/13/61/94/209136194.db2.gz RYYRSCRIXIECMH-AZUAARDMSA-N 2 2 355.486 1.786 40 0 FDABLP Cc1nn(C)cc1C[NH+]1CCN(c2cc(C)[nH+]c([C@H]3CC[NH2+]C3)c2)CC1 ZINC000019739025 518832456 /nfs/dbraw/zinc/83/24/56/518832456.db2.gz GYXZMKUMEZZKKL-KRWDZBQOSA-N 3 2 354.502 1.831 40 0 FDABLP O=S1(=O)CC[C@H]([NH2+]CCn2c[nH+]cc2-c2ccc3c(c2)CCCO3)C1 ZINC000019720005 518832703 /nfs/dbraw/zinc/83/27/03/518832703.db2.gz RFBSMULGJJIUDD-INIZCTEOSA-N 2 2 361.467 1.652 40 0 FDABLP CCOc1ccc([C@H]([NH3+])c2nnc(CC[NH+]3CCOCC3)[nH]2)cc1OC ZINC000095534268 525106504 /nfs/dbraw/zinc/10/65/04/525106504.db2.gz RMLPPSZHRGCYOO-KRWDZBQOSA-N 2 2 361.446 1.135 40 0 FDABLP O=C(C[NH+]1CCCC1)N1CCC[C@@H]1c1ccc(C[NH+]2CCOCC2)cn1 ZINC000257302092 571159583 /nfs/dbraw/zinc/15/95/83/571159583.db2.gz SBMKMFFAXFNBAQ-LJQANCHMSA-N 2 2 358.486 1.673 40 0 FDABLP COCC(=O)NC[C@H]1C[C@@H]2CC[N@@H+]1C[C@@H]2C[NH+]1CCc2ccccc2C1 ZINC000012602397 291039421 /nfs/dbraw/zinc/03/94/21/291039421.db2.gz UCLPYRWRCNQSTF-YSIASYRMSA-N 2 2 357.498 1.518 40 0 biogenic,in-vitro FDABLP COCC(=O)NC[C@H]1C[C@@H]2CC[N@H+]1C[C@@H]2C[NH+]1CCc2ccccc2C1 ZINC000012602397 291039422 /nfs/dbraw/zinc/03/94/22/291039422.db2.gz UCLPYRWRCNQSTF-YSIASYRMSA-N 2 2 357.498 1.518 40 0 biogenic,in-vitro FDABLP COCC(=O)NC[C@H]1C[C@@H]2CC[NH+]1C[C@@H]2C[N@@H+]1CCc2ccccc2C1 ZINC000012602397 291039423 /nfs/dbraw/zinc/03/94/23/291039423.db2.gz UCLPYRWRCNQSTF-YSIASYRMSA-N 2 2 357.498 1.518 40 0 biogenic,in-vitro FDABLP COCC(=O)NC[C@H]1C[C@@H]2CC[NH+]1C[C@@H]2C[N@H+]1CCc2ccccc2C1 ZINC000012602397 291039424 /nfs/dbraw/zinc/03/94/24/291039424.db2.gz UCLPYRWRCNQSTF-YSIASYRMSA-N 2 2 357.498 1.518 40 0 biogenic,in-vitro FDABLP [NH3+]CCCCC(=O)NCC1(O)CCN(c2cc[nH+]c3ccncc32)CC1 ZINC000257277340 132296485 /nfs/dbraw/zinc/29/64/85/132296485.db2.gz NXPIZZFDFJKRNY-UHFFFAOYSA-N 2 2 357.458 1.206 40 0 FDABLP CN(CC1(O)CCN(c2cc[nH+]c3ccncc32)CC1)C(=O)CCC[NH3+] ZINC000257274784 132296495 /nfs/dbraw/zinc/29/64/95/132296495.db2.gz NMQSELGCHSTTSD-UHFFFAOYSA-N 2 2 357.458 1.158 40 0 FDABLP Cc1cc(N2CCC[C@](O)(CN(C)C(=O)CC[NH3+])C2)c2cnccc2[nH+]1 ZINC000257343400 132297433 /nfs/dbraw/zinc/29/74/33/132297433.db2.gz ZSVVLHRFWXTING-IBGZPJMESA-N 2 2 357.458 1.077 40 0 FDABLP CC[NH+](CC)[C@H]1[C@@H]2OC[C@@H](O2)[C@@H]([NH2+]Cc2cnc3ccccc3c2)[C@@H]1O ZINC000012483569 518617179 /nfs/dbraw/zinc/61/71/79/518617179.db2.gz FTLHZUBDEXYDIP-LTFPLMDUSA-N 2 2 357.454 1.519 40 0 biogenic,in-vitro FDABLP Cc1ccc(C[N@@H+]2CCOC[C@]3(CC[C@@H](C[NH+]4CCOCC4)O3)C2)o1 ZINC000248120094 537166659 /nfs/dbraw/zinc/16/66/59/537166659.db2.gz UVGZUIXWZUAXOA-OALUTQOASA-N 2 2 350.459 1.670 40 0 FDABLP Cc1ccc(C[N@H+]2CCOC[C@]3(CC[C@@H](C[NH+]4CCOCC4)O3)C2)o1 ZINC000248120094 537166662 /nfs/dbraw/zinc/16/66/62/537166662.db2.gz UVGZUIXWZUAXOA-OALUTQOASA-N 2 2 350.459 1.670 40 0 FDABLP O=C(CCCn1cc[nH+]c1)N1CC[C@](O)(C[NH+]2CCC(F)(F)CC2)C1 ZINC000257305584 571160281 /nfs/dbraw/zinc/16/02/81/571160281.db2.gz SQQAENVVYGEJCR-INIZCTEOSA-N 2 2 356.417 1.358 40 0 FDABLP CN(C)c1cc(CC[C@H]2CN(C(=O)CCn3cc[nH+]c3)CCO2)cc[nH+]1 ZINC000257317680 571161320 /nfs/dbraw/zinc/16/13/20/571161320.db2.gz VKTONMZMYLVFHW-KRWDZBQOSA-N 2 2 357.458 1.594 40 0 FDABLP CN(C)C(=O)C[N@@H+]1C[C@@H]2C[NH+]([C@@H]3CCOC3)CC[C@]2(c2ccccc2)C1 ZINC000096083273 209109757 /nfs/dbraw/zinc/10/97/57/209109757.db2.gz TVENHBIRKTWDRL-SFHLNBCPSA-N 2 2 357.498 1.439 40 0 FDABLP CN(C)C(=O)C[N@H+]1C[C@@H]2C[NH+]([C@@H]3CCOC3)CC[C@]2(c2ccccc2)C1 ZINC000096083273 209109760 /nfs/dbraw/zinc/10/97/60/209109760.db2.gz TVENHBIRKTWDRL-SFHLNBCPSA-N 2 2 357.498 1.439 40 0 FDABLP CN(C)C(=O)C[NH+]1C[C@@H]2C[N@@H+]([C@@H]3CCOC3)CC[C@]2(c2ccccc2)C1 ZINC000096083273 209109761 /nfs/dbraw/zinc/10/97/61/209109761.db2.gz TVENHBIRKTWDRL-SFHLNBCPSA-N 2 2 357.498 1.439 40 0 FDABLP CN(C)C(=O)C[NH+]1C[C@@H]2C[N@H+]([C@@H]3CCOC3)CC[C@]2(c2ccccc2)C1 ZINC000096083273 209109765 /nfs/dbraw/zinc/10/97/65/209109765.db2.gz TVENHBIRKTWDRL-SFHLNBCPSA-N 2 2 357.498 1.439 40 0 FDABLP COc1ccc(NS(=O)(=O)c2cccc(NC(=[NH2+])NC(N)=[NH2+])c2)cc1 ZINC000005598755 207108167 /nfs/dbraw/zinc/10/81/67/207108167.db2.gz ORVVQNBEQDMZAH-UHFFFAOYSA-N 2 2 362.415 1.326 40 0 FDABLP CN(C[C@]1(O)CCCN(c2cc[nH+]c3ccncc32)C1)C(=O)CCC[NH3+] ZINC000257333109 132297285 /nfs/dbraw/zinc/29/72/85/132297285.db2.gz YAESXVATUIIXGJ-LJQANCHMSA-N 2 2 357.458 1.158 40 0 FDABLP Cc1ccc(NC(=O)N2CC[NH+](C)CC2)cc1NC(=O)N1CC[NH+](C)CC1 ZINC000001669572 518234327 /nfs/dbraw/zinc/23/43/27/518234327.db2.gz DPVBUZHZQIDGFI-UHFFFAOYSA-N 2 2 374.489 1.554 40 0 FDABLP Cc1ncc(C[N@@H+]2CC=CC[C@@]3(C(=O)N4CC[NH+](C)CC4)CCC[C@@H]23)cn1 ZINC000019287197 518806308 /nfs/dbraw/zinc/80/63/08/518806308.db2.gz ONAKAFBFTVDWJV-TZIWHRDSSA-N 2 2 369.513 1.860 40 0 FDABLP Cc1ncc(C[N@H+]2CC=CC[C@@]3(C(=O)N4CC[NH+](C)CC4)CCC[C@@H]23)cn1 ZINC000019287197 518806317 /nfs/dbraw/zinc/80/63/17/518806317.db2.gz ONAKAFBFTVDWJV-TZIWHRDSSA-N 2 2 369.513 1.860 40 0 FDABLP O=C(C[N@H+]1CCc2nnc([C@@H]3CCC[NH2+]3)n2CC1)Nc1ccccc1F ZINC000019706294 518828125 /nfs/dbraw/zinc/82/81/25/518828125.db2.gz OLADLXFPXXHEEG-HNNXBMFYSA-N 2 2 358.421 1.339 40 0 FDABLP O=C(C[N@@H+]1CCc2nnc([C@@H]3CCC[NH2+]3)n2CC1)Nc1ccccc1F ZINC000019706294 518828128 /nfs/dbraw/zinc/82/81/28/518828128.db2.gz OLADLXFPXXHEEG-HNNXBMFYSA-N 2 2 358.421 1.339 40 0 FDABLP CCc1[nH+]ccn1-c1cncc([C@H]2CCCN2C(=O)C[NH+]2CCCC2)n1 ZINC000072378801 522227420 /nfs/dbraw/zinc/22/74/20/522227420.db2.gz PZQLMTDIYAWKAJ-MRXNPFEDSA-N 2 2 354.458 1.984 40 0 FDABLP c1[nH]c(CN2CC3(C2)C[N@H+](Cc2ccccc2)C[C@@H]2COCCN23)c[nH+]1 ZINC000604381911 553870975 /nfs/dbraw/zinc/87/09/75/553870975.db2.gz UZEFIQMWTDHYJS-LJQANCHMSA-N 2 2 353.470 1.181 40 0 biogenic,in-vitro FDABLP c1[nH]c(CN2CC3(C2)C[N@@H+](Cc2ccccc2)C[C@@H]2COCCN23)c[nH+]1 ZINC000604381911 553870977 /nfs/dbraw/zinc/87/09/77/553870977.db2.gz UZEFIQMWTDHYJS-LJQANCHMSA-N 2 2 353.470 1.181 40 0 biogenic,in-vitro FDABLP c1[nH]cc(CN2CC3(C2)C[N@H+](Cc2ccccc2)C[C@@H]2COCCN23)[nH+]1 ZINC000604381911 553870981 /nfs/dbraw/zinc/87/09/81/553870981.db2.gz UZEFIQMWTDHYJS-LJQANCHMSA-N 2 2 353.470 1.181 40 0 biogenic,in-vitro FDABLP c1[nH]cc(CN2CC3(C2)C[N@@H+](Cc2ccccc2)C[C@@H]2COCCN23)[nH+]1 ZINC000604381911 553870983 /nfs/dbraw/zinc/87/09/83/553870983.db2.gz UZEFIQMWTDHYJS-LJQANCHMSA-N 2 2 353.470 1.181 40 0 biogenic,in-vitro FDABLP C[N@@H+]1C[C@@H](c2ccccc2)[C@H]2[C@H]1CN(C(=O)CCn1cc[nH+]c1)CC[C@H]2O ZINC000257217366 571151298 /nfs/dbraw/zinc/15/12/98/571151298.db2.gz CYQBZBQKMGRYGH-PXCRPINLSA-N 2 2 368.481 1.580 40 0 FDABLP C[N@H+]1C[C@@H](c2ccccc2)[C@H]2[C@H]1CN(C(=O)CCn1cc[nH+]c1)CC[C@H]2O ZINC000257217366 571151299 /nfs/dbraw/zinc/15/12/99/571151299.db2.gz CYQBZBQKMGRYGH-PXCRPINLSA-N 2 2 368.481 1.580 40 0 FDABLP Cc1[nH+]ccn1[C@H]1[C@@H]2OC[C@@H](O2)[C@@H]([NH2+]Cc2ccncc2Cl)[C@@H]1O ZINC000952844902 960131758 /nfs/dbraw/zinc/13/17/58/960131758.db2.gz RSYSGMWLNUSNSC-DGXTUMSLSA-N 2 2 350.806 1.055 40 0 biogenic,in-vitro FDABLP COc1ccc(C[N@H+]2Cc3nnn(C)c3[C@H](COCC[NH+](C)C)C2)cc1 ZINC000096060671 209104829 /nfs/dbraw/zinc/10/48/29/209104829.db2.gz GKWAYGYGLAJIHR-INIZCTEOSA-N 2 2 359.474 1.501 40 0 FDABLP COc1ccc(C[N@@H+]2Cc3nnn(C)c3[C@H](COCC[NH+](C)C)C2)cc1 ZINC000096060671 209104831 /nfs/dbraw/zinc/10/48/31/209104831.db2.gz GKWAYGYGLAJIHR-INIZCTEOSA-N 2 2 359.474 1.501 40 0 FDABLP Cc1[nH+]ccn1-c1cccc(C2CC[NH+](CC(=O)N3CCOCC3)CC2)n1 ZINC000072379159 522227275 /nfs/dbraw/zinc/22/72/75/522227275.db2.gz MTIQHQUIJFGZIS-UHFFFAOYSA-N 2 2 369.469 1.614 40 0 FDABLP C[NH+]1CCC(Cn2nc(I)c3c2nc[nH+]c3N)CC1 ZINC000085397209 524353314 /nfs/dbraw/zinc/35/33/14/524353314.db2.gz JNQMKLDOOMLCNE-UHFFFAOYSA-N 2 2 372.214 1.355 40 0 FDABLP O=C(c1cccc2c1OCCO2)N1Cc2c[nH+]cn2[C@H](C[NH+]2CCCC2)C1 ZINC000247872978 537155221 /nfs/dbraw/zinc/15/52/21/537155221.db2.gz MNXYUPDLHZGGAT-MRXNPFEDSA-N 2 2 368.437 1.947 40 0 FDABLP C[NH+](C)CCCNc1nc(NCc2cccnc2)cc(-c2cccnc2)[nH+]1 ZINC000329020311 571107369 /nfs/dbraw/zinc/10/73/69/571107369.db2.gz OAMDPUVQIOWDPU-UHFFFAOYSA-N 2 2 363.469 1.753 40 0 FDABLP COC(=O)c1ccc2c(c1)CCN(c1cc[nH+]c(NCC[NH+](C)C)n1)C2 ZINC000329064209 132373097 /nfs/dbraw/zinc/37/30/97/132373097.db2.gz XHUUFMFRXRCWCG-UHFFFAOYSA-N 2 2 355.442 1.799 40 0 FDABLP Fc1ccc(C[N@@H+]2CCOC[C@@]3(CC[C@H](C[NH+]4CCOCC4)O3)C2)cc1 ZINC000096052362 222003619 /nfs/dbraw/zinc/00/36/19/222003619.db2.gz ZNOUBTJUXXVMAQ-WOJBJXKFSA-N 2 2 364.461 1.908 40 0 FDABLP Fc1ccc(C[N@H+]2CCOC[C@@]3(CC[C@H](C[NH+]4CCOCC4)O3)C2)cc1 ZINC000096052362 222003621 /nfs/dbraw/zinc/00/36/21/222003621.db2.gz ZNOUBTJUXXVMAQ-WOJBJXKFSA-N 2 2 364.461 1.908 40 0 FDABLP CCC[NH+]1CCC([N@@H+]2C[C@H]3CN(S(=O)(=O)c4ccccc4)C[C@@H]32)CC1 ZINC000096080469 222016182 /nfs/dbraw/zinc/01/61/82/222016182.db2.gz YRNPAVHBFNXETG-APWZRJJASA-N 2 2 363.527 1.866 40 0 FDABLP CCC[NH+]1CCC([N@H+]2C[C@H]3CN(S(=O)(=O)c4ccccc4)C[C@@H]32)CC1 ZINC000096080469 222016185 /nfs/dbraw/zinc/01/61/85/222016185.db2.gz YRNPAVHBFNXETG-APWZRJJASA-N 2 2 363.527 1.866 40 0 FDABLP CC(C)NC(=O)NC[C@H]1C[C@@H]2CC[N@@H+]1C[C@@H]2C[NH+](C)CCc1ccccn1 ZINC000008636208 518481121 /nfs/dbraw/zinc/48/11/21/518481121.db2.gz CBLUHDCAHAUMBT-CMKODMSKSA-N 2 2 373.545 1.974 40 0 biogenic,in-vitro FDABLP CC(C)NC(=O)NC[C@H]1C[C@@H]2CC[N@H+]1C[C@@H]2C[NH+](C)CCc1ccccn1 ZINC000008636208 518481128 /nfs/dbraw/zinc/48/11/28/518481128.db2.gz CBLUHDCAHAUMBT-CMKODMSKSA-N 2 2 373.545 1.974 40 0 biogenic,in-vitro FDABLP CC(C)NC(=O)NC[C@H]1C[C@@H]2CC[NH+]1C[C@@H]2C[N@H+](C)CCc1ccccn1 ZINC000008636208 518481136 /nfs/dbraw/zinc/48/11/36/518481136.db2.gz CBLUHDCAHAUMBT-CMKODMSKSA-N 2 2 373.545 1.974 40 0 biogenic,in-vitro FDABLP CC(C)NC(=O)NC[C@H]1C[C@@H]2CC[NH+]1C[C@@H]2C[N@@H+](C)CCc1ccccn1 ZINC000008636208 518481143 /nfs/dbraw/zinc/48/11/43/518481143.db2.gz CBLUHDCAHAUMBT-CMKODMSKSA-N 2 2 373.545 1.974 40 0 biogenic,in-vitro FDABLP CN1CCCc2cc(-c3c[nH+]cn3CC[NH2+][C@@H]3CCS(=O)(=O)C3)ccc21 ZINC000019719659 518832921 /nfs/dbraw/zinc/83/29/21/518832921.db2.gz JDZWEAASODEBPF-QGZVFWFLSA-N 2 2 374.510 1.709 40 0 FDABLP CC[C@@H](C)Nc1nc(NCC[NH+]2CCOCC2)cc(-c2ccncc2)[nH+]1 ZINC000329011511 210131144 /nfs/dbraw/zinc/13/11/44/210131144.db2.gz MFZVVOKMGSKRLP-OAHLLOKOSA-N 2 2 356.474 1.337 40 0 FDABLP Cc1[nH+]ccn1CC(=O)N1CCO[C@@H](CCc2cc[nH+]c(N(C)C)c2)C1 ZINC000257218999 223025502 /nfs/dbraw/zinc/02/55/02/223025502.db2.gz DFEYVORYLVUPJL-KRWDZBQOSA-N 2 2 357.458 1.513 40 0 FDABLP Cn1nc(-c2ccc(CNC(=O)Cn3cc[nH+]c3)cc2)cc1C[NH+](C)C ZINC000019288881 211212263 /nfs/dbraw/zinc/21/22/63/211212263.db2.gz JKEUHSUNXCOWQU-UHFFFAOYSA-N 2 2 352.442 1.662 40 0 FDABLP COc1ccccc1N1CC[NH+](CCNC(=O)[C@H]2CC[C@H](C[NH3+])CC2)CC1 ZINC000100768880 132233174 /nfs/dbraw/zinc/23/31/74/132233174.db2.gz AYBXXSRMBFTNPR-HDICACEKSA-N 2 2 374.529 1.699 40 0 FDABLP CN(C)C(=O)C[N@@H+]1CCC[C@]2(CC[NH+](Cc3ccc4c(c3)OCO4)C2)C1 ZINC000096215308 222080022 /nfs/dbraw/zinc/08/00/22/222080022.db2.gz YAQXFOXFCGELKO-FQEVSTJZSA-N 2 2 359.470 1.791 40 0 FDABLP CN(C)C(=O)C[N@H+]1CCC[C@]2(CC[NH+](Cc3ccc4c(c3)OCO4)C2)C1 ZINC000096215308 222080024 /nfs/dbraw/zinc/08/00/24/222080024.db2.gz YAQXFOXFCGELKO-FQEVSTJZSA-N 2 2 359.470 1.791 40 0 FDABLP CN(C)C(=O)C[NH+]1CCC[C@]2(CC[N@H+](Cc3ccc4c(c3)OCO4)C2)C1 ZINC000096215308 222080028 /nfs/dbraw/zinc/08/00/28/222080028.db2.gz YAQXFOXFCGELKO-FQEVSTJZSA-N 2 2 359.470 1.791 40 0 FDABLP CN(C)C(=O)C[NH+]1CCC[C@]2(CC[N@@H+](Cc3ccc4c(c3)OCO4)C2)C1 ZINC000096215308 222080030 /nfs/dbraw/zinc/08/00/30/222080030.db2.gz YAQXFOXFCGELKO-FQEVSTJZSA-N 2 2 359.470 1.791 40 0 FDABLP CC(=O)N1CCC[C@H]1c1cc(N2CC[NH+](CC(=O)N(C)C)CC2)cc(C)[nH+]1 ZINC000019698019 518826716 /nfs/dbraw/zinc/82/67/16/518826716.db2.gz IDQZURJWDMHGDJ-IBGZPJMESA-N 2 2 373.501 1.284 40 0 FDABLP CC(=O)N[C@]12C[NH2+]C[C@H]1CN(Cc1c[nH+]cn1Cc1ccccc1)CC2 ZINC000019712986 518829513 /nfs/dbraw/zinc/82/95/13/518829513.db2.gz SDFWYVZSXNLLIT-AZUAARDMSA-N 2 2 353.470 1.231 40 0 FDABLP CN(C)c1cc(C[N@H+](C)CC(=O)N2CCCCC2)nc([C@@H]2CCC[NH2+]2)n1 ZINC000019760124 518835531 /nfs/dbraw/zinc/83/55/31/518835531.db2.gz DWRVAXJFERFWBL-INIZCTEOSA-N 2 2 360.506 1.411 40 0 FDABLP CN(C)c1cc(C[N@@H+](C)CC(=O)N2CCCCC2)nc([C@@H]2CCC[NH2+]2)n1 ZINC000019760124 518835538 /nfs/dbraw/zinc/83/55/38/518835538.db2.gz DWRVAXJFERFWBL-INIZCTEOSA-N 2 2 360.506 1.411 40 0 FDABLP Cn1c[nH+]cc1C[NH+]1CCC2(CC1)C[C@H](NC(=O)c1ccco1)CCO2 ZINC000108527777 525979331 /nfs/dbraw/zinc/97/93/31/525979331.db2.gz XRKKTNWPMICATO-OAHLLOKOSA-N 2 2 358.442 1.957 40 0 FDABLP O[C@@H]1CC[N@H+](Cc2nc(C3(O)CC[NH+](C4CCOCC4)CC3)cs2)C1 ZINC000225465267 537550492 /nfs/dbraw/zinc/55/04/92/537550492.db2.gz BRDAJVJSFAIGNP-OAHLLOKOSA-N 2 2 367.515 1.172 40 0 biogenic,in-vitro FDABLP O[C@@H]1CC[N@@H+](Cc2nc(C3(O)CC[NH+](C4CCOCC4)CC3)cs2)C1 ZINC000225465267 537550499 /nfs/dbraw/zinc/55/04/99/537550499.db2.gz BRDAJVJSFAIGNP-OAHLLOKOSA-N 2 2 367.515 1.172 40 0 biogenic,in-vitro FDABLP C[NH+]1CCN(CCNc2cc(-c3ccncc3)[nH+]c(NC(C)(C)C)n2)CC1 ZINC000329009664 571129227 /nfs/dbraw/zinc/12/92/27/571129227.db2.gz LWJFXZSIHIYTIF-UHFFFAOYSA-N 2 2 369.517 2.408 40 0 FDABLP Cc1ccc(C[N@@H+]2CC[C@@H]3[C@H]2CCC(=O)N3CC[NH+]2CCOCC2)s1 ZINC000096056564 222004886 /nfs/dbraw/zinc/00/48/86/222004886.db2.gz MNMCYCGDDPFHBJ-QZTJIDSGSA-N 2 2 363.527 1.954 40 0 FDABLP Cc1ccc(C[N@H+]2CC[C@@H]3[C@H]2CCC(=O)N3CC[NH+]2CCOCC2)s1 ZINC000096056564 222004890 /nfs/dbraw/zinc/00/48/90/222004890.db2.gz MNMCYCGDDPFHBJ-QZTJIDSGSA-N 2 2 363.527 1.954 40 0 FDABLP CC(=O)N(C)[C@H]1CC2(CC[NH+](Cc3[nH]c[nH+]c3C)CC2)OC[C@]1(C)O ZINC000257236420 526470417 /nfs/dbraw/zinc/47/04/17/526470417.db2.gz HCCDQHLJONAWCP-IRXDYDNUSA-N 2 2 350.463 1.071 40 0 FDABLP Cn1cc(C[N@@H+]2CCOC[C@]3(Cc4[nH+]cc(-c5cncnc5)n4C3)C2)cn1 ZINC000306125746 210049725 /nfs/dbraw/zinc/04/97/25/210049725.db2.gz DASZCWURYKFXTC-LJQANCHMSA-N 2 2 365.441 1.149 40 0 FDABLP Cn1cc(C[N@H+]2CCOC[C@]3(Cc4[nH+]cc(-c5cncnc5)n4C3)C2)cn1 ZINC000306125746 210049728 /nfs/dbraw/zinc/04/97/28/210049728.db2.gz DASZCWURYKFXTC-LJQANCHMSA-N 2 2 365.441 1.149 40 0 FDABLP CN(C)c1[nH+]cccc1CNC(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000077553031 172129122 /nfs/dbraw/zinc/12/91/22/172129122.db2.gz BKKOOINOCJOVEJ-UHFFFAOYSA-N 2 2 361.490 1.401 40 0 FDABLP C[NH+]1CCN(c2nccc(C[NH+]3CCN(c4ccccc4F)CC3)n2)CC1 ZINC000012143907 518591301 /nfs/dbraw/zinc/59/13/01/518591301.db2.gz OHWSTSPRPKAMDI-UHFFFAOYSA-N 2 2 370.476 1.690 40 0 FDABLP CCOC(=O)C1=C(O)NC(N2CC[NH+](CC)CC2)=[NH+][C@@H]1c1ccc(C)cc1 ZINC000014162955 518679828 /nfs/dbraw/zinc/67/98/28/518679828.db2.gz FPDWPUCVTBJNHV-DLBZAZTESA-N 2 2 372.469 1.339 40 0 FDABLP CC[N@H+](Cc1ccc(NC(C)=O)cc1)C[C@@]1(C)Cc2c(nc(N)[nH+]c2N)O1 ZINC000257233041 528786532 /nfs/dbraw/zinc/78/65/32/528786532.db2.gz GNLYIGGMTDTAJB-LJQANCHMSA-N 2 2 370.457 1.815 40 0 FDABLP CC[N@@H+](Cc1ccc(NC(C)=O)cc1)C[C@@]1(C)Cc2c(nc(N)[nH+]c2N)O1 ZINC000257233041 528786537 /nfs/dbraw/zinc/78/65/37/528786537.db2.gz GNLYIGGMTDTAJB-LJQANCHMSA-N 2 2 370.457 1.815 40 0 FDABLP CN(C)c1cc(CC[C@@H]2CN(C(=O)CCn3cc[nH+]c3)CCO2)cc[nH+]1 ZINC000257317681 529772592 /nfs/dbraw/zinc/77/25/92/529772592.db2.gz VKTONMZMYLVFHW-QGZVFWFLSA-N 2 2 357.458 1.594 40 0 FDABLP CN(Cc1ccccn1)C(=O)[C@@H]1C[N@@H+](C2CCOCC2)Cc2c[nH+]cn21 ZINC000306134655 210054397 /nfs/dbraw/zinc/05/43/97/210054397.db2.gz NUOJPRUYZNAGME-SFHVURJKSA-N 2 2 355.442 1.472 40 0 FDABLP CN(Cc1ccccn1)C(=O)[C@@H]1C[N@H+](C2CCOCC2)Cc2c[nH+]cn21 ZINC000306134655 210054400 /nfs/dbraw/zinc/05/44/00/210054400.db2.gz NUOJPRUYZNAGME-SFHVURJKSA-N 2 2 355.442 1.472 40 0 FDABLP Cc1ccc(C[N@@H+]2C[C@@H]3C[C@@H](C(=O)N4CC[NH+](C)CC4)N(C)[C@@H]3C2)s1 ZINC000096054220 222003001 /nfs/dbraw/zinc/00/30/01/222003001.db2.gz UJZZPTLHSIJLFB-RYQLBKOJSA-N 2 2 362.543 1.335 40 0 FDABLP Cc1ccc(C[N@H+]2C[C@@H]3C[C@@H](C(=O)N4CC[NH+](C)CC4)N(C)[C@@H]3C2)s1 ZINC000096054220 222003003 /nfs/dbraw/zinc/00/30/03/222003003.db2.gz UJZZPTLHSIJLFB-RYQLBKOJSA-N 2 2 362.543 1.335 40 0 FDABLP CN1CC[NH+](C[C@H]2CC[C@]3(COCC[N@H+](Cc4ccccc4)C3)O2)CC1 ZINC000096160311 222059415 /nfs/dbraw/zinc/05/94/15/222059415.db2.gz FPIFWDXHACCGHB-RTWAWAEBSA-N 2 2 359.514 1.684 40 0 FDABLP CN1CC[NH+](C[C@H]2CC[C@]3(COCC[N@@H+](Cc4ccccc4)C3)O2)CC1 ZINC000096160311 222059418 /nfs/dbraw/zinc/05/94/18/222059418.db2.gz FPIFWDXHACCGHB-RTWAWAEBSA-N 2 2 359.514 1.684 40 0 FDABLP COCc1ccc(OC)c(C[N@@H+]2CCn3c(nnc3C3CC[NH2+]CC3)C2)c1 ZINC000072372108 522225938 /nfs/dbraw/zinc/22/59/38/522225938.db2.gz OSMFIGGRJJFSJQ-UHFFFAOYSA-N 2 2 371.485 1.916 40 0 FDABLP COCc1ccc(OC)c(C[N@H+]2CCn3c(nnc3C3CC[NH2+]CC3)C2)c1 ZINC000072372108 522225947 /nfs/dbraw/zinc/22/59/47/522225947.db2.gz OSMFIGGRJJFSJQ-UHFFFAOYSA-N 2 2 371.485 1.916 40 0 FDABLP CCc1[nH+]ccn1-c1cncc([C@@H]2CCC[N@@H+]2CC(=O)N2CCOCC2)n1 ZINC000072378728 522229259 /nfs/dbraw/zinc/22/92/59/522229259.db2.gz QXIUACGNLYDOHC-INIZCTEOSA-N 2 2 370.457 1.220 40 0 FDABLP CCc1[nH+]ccn1-c1cncc([C@@H]2CCC[N@H+]2CC(=O)N2CCOCC2)n1 ZINC000072378728 522229267 /nfs/dbraw/zinc/22/92/67/522229267.db2.gz QXIUACGNLYDOHC-INIZCTEOSA-N 2 2 370.457 1.220 40 0 FDABLP Cc1cc(N2CC[C@@](O)(CN(C)C(=O)CCC[NH3+])C2)c2cnccc2[nH+]1 ZINC000257282393 223049405 /nfs/dbraw/zinc/04/94/05/223049405.db2.gz OTOUICGNYQHGDB-LJQANCHMSA-N 2 2 357.458 1.077 40 0 FDABLP CC(=O)Nc1ccc(C[NH2+]C2(Cc3cc(C[NH+](C)C)on3)COC2)cc1 ZINC000067897818 211273449 /nfs/dbraw/zinc/27/34/49/211273449.db2.gz ZFLMYBAWNULHOT-UHFFFAOYSA-N 2 2 358.442 1.796 40 0 biogenic,in-vitro FDABLP CCc1[nH+]c2cc(NC(=O)[C@H]3CC(=O)N(CC[NH+](C)C)C3)ccc2n1CC ZINC000019523200 211229247 /nfs/dbraw/zinc/22/92/47/211229247.db2.gz CVUISAKNJYMDHH-AWEZNQCLSA-N 2 2 371.485 1.967 40 0 FDABLP CN1CCCc2cc(-c3c[nH+]cn3CC[NH2+][C@H]3CCS(=O)(=O)C3)ccc21 ZINC000019719660 518832232 /nfs/dbraw/zinc/83/22/32/518832232.db2.gz JDZWEAASODEBPF-KRWDZBQOSA-N 2 2 374.510 1.709 40 0 FDABLP Cc1cc(N2CC[C@](O)(C[NH2+]Cc3ccc(OCCF)cc3)C2)nc[nH+]1 ZINC000257335710 570627335 /nfs/dbraw/zinc/62/73/35/570627335.db2.gz YLNCSYUWTNZGIQ-IBGZPJMESA-N 2 2 360.433 1.864 40 0 FDABLP Cc1cc(N2CCc3cc([C@H](C)O)ccc3C2)nc(NCC[NH+](C)C)[nH+]1 ZINC000329046118 571130672 /nfs/dbraw/zinc/13/06/72/571130672.db2.gz UAFXFSZMHNXJDK-HNNXBMFYSA-N 2 2 355.486 2.375 40 0 FDABLP O=C(NC1CC(F)(F)C1)[C@@H]1C[N@H+](CC2CCOCC2)Cc2c[nH+]cn21 ZINC000306136638 223111116 /nfs/dbraw/zinc/11/11/16/223111116.db2.gz PYYCEBUNMMCEPM-HNNXBMFYSA-N 2 2 354.401 1.580 40 0 FDABLP O=C(NC1CC(F)(F)C1)[C@@H]1C[N@@H+](CC2CCOCC2)Cc2c[nH+]cn21 ZINC000306136638 223111117 /nfs/dbraw/zinc/11/11/17/223111117.db2.gz PYYCEBUNMMCEPM-HNNXBMFYSA-N 2 2 354.401 1.580 40 0 FDABLP CCOC(=O)[C@@H]([NH3+])CSCCCCSC[C@@H]([NH3+])C(=O)OCC ZINC000017300010 211182900 /nfs/dbraw/zinc/18/29/00/211182900.db2.gz RITZJZRVOBCNDH-TXEJJXNPSA-N 2 2 352.522 1.014 40 0 FDABLP CCc1[nH+]ccn1CC(=O)N(C)C[C@@]1(O)CCCN(c2cccc[nH+]2)C1 ZINC000257254283 132296047 /nfs/dbraw/zinc/29/60/47/132296047.db2.gz KCLOFMVKRHTVII-IBGZPJMESA-N 2 2 357.458 1.330 40 0 FDABLP Cc1cc(N2CC[C@](O)(CN(C)C(=O)CCCC[NH3+])C2)c2cnccc2[nH+]1 ZINC000257339812 533911644 /nfs/dbraw/zinc/91/16/44/533911644.db2.gz ZDIHQZLEPYOQRT-FQEVSTJZSA-N 2 2 371.485 1.467 40 0 FDABLP COc1cc(C(=O)NCC2([NH+](C)C)CC[NH+](C)CC2)c2ccccc2n1 ZINC000012192620 518595232 /nfs/dbraw/zinc/59/52/32/518595232.db2.gz IXRJWOMGBHPACR-UHFFFAOYSA-N 2 2 356.470 1.999 40 0 FDABLP CC(C)(C)NC(=O)C[NH+]1CCC2(CC1)Nc1ccccc1C1=[NH+]CCN12 ZINC000072327107 522215174 /nfs/dbraw/zinc/21/51/74/522215174.db2.gz XWWGFGXVMWYATE-UHFFFAOYSA-N 2 2 355.486 1.881 40 0 FDABLP CCc1[nH+]ccn1-c1cncc([C@@H]2CCCN2C(=O)C[NH+]2CCCC2)n1 ZINC000072378800 522229771 /nfs/dbraw/zinc/22/97/71/522229771.db2.gz PZQLMTDIYAWKAJ-INIZCTEOSA-N 2 2 354.458 1.984 40 0 FDABLP Nc1cc(CC[C@H]2C[N@H+](Cc3cccc(OCCO)c3)CCO2)cc[nH+]1 ZINC000257239687 534734499 /nfs/dbraw/zinc/73/44/99/534734499.db2.gz HQIXEXPAULPNAU-IBGZPJMESA-N 2 2 357.454 1.869 40 0 FDABLP Nc1cc(CC[C@H]2C[N@@H+](Cc3cccc(OCCO)c3)CCO2)cc[nH+]1 ZINC000257239687 534734501 /nfs/dbraw/zinc/73/45/01/534734501.db2.gz HQIXEXPAULPNAU-IBGZPJMESA-N 2 2 357.454 1.869 40 0 FDABLP C[NH+]1CCC2(CCC[N@H+](Cc3nccs3)[C@@H]2CNS(C)(=O)=O)CC1 ZINC000306140299 210055782 /nfs/dbraw/zinc/05/57/82/210055782.db2.gz UPCDSWBUKUZMEB-CQSZACIVSA-N 2 2 372.560 1.369 40 0 FDABLP C[NH+]1CCC2(CCC[N@@H+](Cc3nccs3)[C@@H]2CNS(C)(=O)=O)CC1 ZINC000306140299 210055788 /nfs/dbraw/zinc/05/57/88/210055788.db2.gz UPCDSWBUKUZMEB-CQSZACIVSA-N 2 2 372.560 1.369 40 0 FDABLP O=C(NC1CC(F)(F)C1)[C@H]1C[N@H+](CC2CCOCC2)Cc2c[nH+]cn21 ZINC000306136639 223111014 /nfs/dbraw/zinc/11/10/14/223111014.db2.gz PYYCEBUNMMCEPM-OAHLLOKOSA-N 2 2 354.401 1.580 40 0 FDABLP O=C(NC1CC(F)(F)C1)[C@H]1C[N@@H+](CC2CCOCC2)Cc2c[nH+]cn21 ZINC000306136639 223111015 /nfs/dbraw/zinc/11/10/15/223111015.db2.gz PYYCEBUNMMCEPM-OAHLLOKOSA-N 2 2 354.401 1.580 40 0 FDABLP Cc1ccc(C[N@H+]2CC[C@H]3O[C@H](C(=O)NCc4[nH+]ccn4C)C[C@H]32)s1 ZINC000096055606 222004998 /nfs/dbraw/zinc/00/49/98/222004998.db2.gz MUOSIZIXOOONBH-OAGGEKHMSA-N 2 2 360.483 1.838 40 0 FDABLP Cc1ccc(C[N@@H+]2CC[C@H]3O[C@H](C(=O)NCc4[nH+]ccn4C)C[C@H]32)s1 ZINC000096055606 222005002 /nfs/dbraw/zinc/00/50/02/222005002.db2.gz MUOSIZIXOOONBH-OAGGEKHMSA-N 2 2 360.483 1.838 40 0 FDABLP COc1ccc(CN2C(=O)CO[C@H]3C[N@H+](C4CC[NH+](C)CC4)C[C@H]32)cc1 ZINC000067897221 523626789 /nfs/dbraw/zinc/62/67/89/523626789.db2.gz GWUVSEVQBYRVGR-MOPGFXCFSA-N 2 2 359.470 1.201 40 0 biogenic,in-vitro FDABLP COc1ccc(CN2C(=O)CO[C@H]3C[N@@H+](C4CC[NH+](C)CC4)C[C@H]32)cc1 ZINC000067897221 523626792 /nfs/dbraw/zinc/62/67/92/523626792.db2.gz GWUVSEVQBYRVGR-MOPGFXCFSA-N 2 2 359.470 1.201 40 0 biogenic,in-vitro FDABLP c1cc(C[N@H+]2CCOC[C@@]3(CC[C@@H](C[NH+]4CCOCC4)O3)C2)cs1 ZINC000107739660 525914767 /nfs/dbraw/zinc/91/47/67/525914767.db2.gz GADBELFIJSVHHF-ZWKOTPCHSA-N 2 2 352.500 1.830 40 0 FDABLP c1cc(C[N@@H+]2CCOC[C@@]3(CC[C@@H](C[NH+]4CCOCC4)O3)C2)cs1 ZINC000107739660 525914775 /nfs/dbraw/zinc/91/47/75/525914775.db2.gz GADBELFIJSVHHF-ZWKOTPCHSA-N 2 2 352.500 1.830 40 0 FDABLP O=C(c1cccc2c1OCCO2)N1Cc2c[nH+]cn2[C@@H](C[NH+]2CCCC2)C1 ZINC000247872974 537155029 /nfs/dbraw/zinc/15/50/29/537155029.db2.gz MNXYUPDLHZGGAT-INIZCTEOSA-N 2 2 368.437 1.947 40 0 FDABLP C[N@H+](C1CC[NH+](Cc2ccc(Cl)cc2)CC1)[C@@H]1COC[C@@H](O)[C@H]1O ZINC000585292047 551580277 /nfs/dbraw/zinc/58/02/77/551580277.db2.gz WJOJAWMWPLXIHM-KURKYZTESA-N 2 2 354.878 1.357 40 0 FDABLP C[N@@H+](C1CC[NH+](Cc2ccc(Cl)cc2)CC1)[C@@H]1COC[C@@H](O)[C@H]1O ZINC000585292047 551580279 /nfs/dbraw/zinc/58/02/79/551580279.db2.gz WJOJAWMWPLXIHM-KURKYZTESA-N 2 2 354.878 1.357 40 0 FDABLP CC[C@H](C)Nc1nc(NCCN2CC[NH+](C)CC2)cc(-c2ccncc2)[nH+]1 ZINC000329018009 529701907 /nfs/dbraw/zinc/70/19/07/529701907.db2.gz NOTZGRGVDXSAMS-INIZCTEOSA-N 2 2 369.517 1.252 40 0 FDABLP CCc1[nH+]ccn1-c1cc[nH+]c([C@@H]2CCCN(S(=O)(=O)N(C)C)C2)c1 ZINC000257322127 529759438 /nfs/dbraw/zinc/75/94/38/529759438.db2.gz WERPJODPARFUTC-CQSZACIVSA-N 2 2 363.487 1.816 40 0 FDABLP C[NH+](C)CCCNc1nc(NCc2ccccn2)cc(-c2ccncc2)[nH+]1 ZINC000329042590 223130531 /nfs/dbraw/zinc/13/05/31/223130531.db2.gz SOQNJWCQAQBZAQ-UHFFFAOYSA-N 2 2 363.469 1.753 40 0 FDABLP C[NH+]1CCN(C(=O)[C@H]2CC[C@@H]3[C@@H](CC[N@@H+]3Cc3nccs3)O2)CC1 ZINC000096057504 222005687 /nfs/dbraw/zinc/00/56/87/222005687.db2.gz GEBRPUMBGXRUDQ-RBSFLKMASA-N 2 2 350.488 1.039 40 0 FDABLP C[NH+]1CCN(C(=O)[C@H]2CC[C@@H]3[C@@H](CC[N@H+]3Cc3nccs3)O2)CC1 ZINC000096057504 222005690 /nfs/dbraw/zinc/00/56/90/222005690.db2.gz GEBRPUMBGXRUDQ-RBSFLKMASA-N 2 2 350.488 1.039 40 0 FDABLP CN(C)C(=O)C[N@@H+]1CCC[C@@]2(CC[NH+](Cc3ccc4c(c3)OCO4)C2)C1 ZINC000096215311 222079207 /nfs/dbraw/zinc/07/92/07/222079207.db2.gz YAQXFOXFCGELKO-HXUWFJFHSA-N 2 2 359.470 1.791 40 0 FDABLP CN(C)C(=O)C[N@H+]1CCC[C@@]2(CC[NH+](Cc3ccc4c(c3)OCO4)C2)C1 ZINC000096215311 222079211 /nfs/dbraw/zinc/07/92/11/222079211.db2.gz YAQXFOXFCGELKO-HXUWFJFHSA-N 2 2 359.470 1.791 40 0 FDABLP CN(C)C(=O)C[NH+]1CCC[C@@]2(CC[N@H+](Cc3ccc4c(c3)OCO4)C2)C1 ZINC000096215311 222079213 /nfs/dbraw/zinc/07/92/13/222079213.db2.gz YAQXFOXFCGELKO-HXUWFJFHSA-N 2 2 359.470 1.791 40 0 FDABLP CN(C)C(=O)C[NH+]1CCC[C@@]2(CC[N@@H+](Cc3ccc4c(c3)OCO4)C2)C1 ZINC000096215311 222079216 /nfs/dbraw/zinc/07/92/16/222079216.db2.gz YAQXFOXFCGELKO-HXUWFJFHSA-N 2 2 359.470 1.791 40 0 FDABLP CN(C)c1cc(C[N@H+](C)CC(=O)N2CCCCC2)nc([C@H]2CCC[NH2+]2)n1 ZINC000019760127 518836318 /nfs/dbraw/zinc/83/63/18/518836318.db2.gz DWRVAXJFERFWBL-MRXNPFEDSA-N 2 2 360.506 1.411 40 0 FDABLP CN(C)c1cc(C[N@@H+](C)CC(=O)N2CCCCC2)nc([C@H]2CCC[NH2+]2)n1 ZINC000019760127 518836325 /nfs/dbraw/zinc/83/63/25/518836325.db2.gz DWRVAXJFERFWBL-MRXNPFEDSA-N 2 2 360.506 1.411 40 0 FDABLP CCc1[nH+]ccn1-c1cc[nH+]c([C@H]2CCCN(S(=O)(=O)N(C)C)C2)c1 ZINC000257322126 529759462 /nfs/dbraw/zinc/75/94/62/529759462.db2.gz WERPJODPARFUTC-AWEZNQCLSA-N 2 2 363.487 1.816 40 0 FDABLP CNC(=O)c1cnn2c1nccc2[C@H]1CCC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000257307019 529954446 /nfs/dbraw/zinc/95/44/46/529954446.db2.gz SWXFTHWNFWALNC-AWEZNQCLSA-N 2 2 356.474 1.363 40 0 FDABLP CNC(=O)c1cnn2c1nccc2[C@H]1CCC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000257307019 529954448 /nfs/dbraw/zinc/95/44/48/529954448.db2.gz SWXFTHWNFWALNC-AWEZNQCLSA-N 2 2 356.474 1.363 40 0 FDABLP O[C@@H]1[C@@H]([NH+]2CCCCC2)[C@@H]2OC[C@@H](O2)[C@H]1[NH2+]Cc1cnc2ccccc2c1 ZINC000012489837 220001109 /nfs/dbraw/zinc/00/11/09/220001109.db2.gz UWRVWIGRLKRDSI-SSSFQFABSA-N 2 2 369.465 1.664 40 0 biogenic,in-vitro FDABLP CN(C[C@@]1(O)CCCN(c2cc[nH+]c3ccncc32)C1)C(=O)CCCC[NH3+] ZINC000257271854 132296503 /nfs/dbraw/zinc/29/65/03/132296503.db2.gz NABLTHULMBUWAH-FQEVSTJZSA-N 2 2 371.485 1.549 40 0 FDABLP COc1ccc(C[N@@H+]2CC[C@H]3O[C@H](C(=O)N4CC[NH+](C)CC4)CC[C@H]32)cc1 ZINC000096057346 222004468 /nfs/dbraw/zinc/00/44/68/222004468.db2.gz XYPIIAQLCSYJPP-AQNXPRMDSA-N 2 2 373.497 1.591 40 0 FDABLP COc1ccc(C[N@H+]2CC[C@H]3O[C@H](C(=O)N4CC[NH+](C)CC4)CC[C@H]32)cc1 ZINC000096057346 222004473 /nfs/dbraw/zinc/00/44/73/222004473.db2.gz XYPIIAQLCSYJPP-AQNXPRMDSA-N 2 2 373.497 1.591 40 0 FDABLP CCn1nnc2c1[C@@H](COCC[NH+](C)C)C[N@H+](Cc1ccc(OC)cc1)C2 ZINC000096060866 222006955 /nfs/dbraw/zinc/00/69/55/222006955.db2.gz JRAUDYKDBNSAIS-QGZVFWFLSA-N 2 2 373.501 1.984 40 0 FDABLP CCn1nnc2c1[C@@H](COCC[NH+](C)C)C[N@@H+](Cc1ccc(OC)cc1)C2 ZINC000096060866 222006958 /nfs/dbraw/zinc/00/69/58/222006958.db2.gz JRAUDYKDBNSAIS-QGZVFWFLSA-N 2 2 373.501 1.984 40 0 FDABLP Cn1c[nH+]c2c1[C@@H](C(=O)N1CC[C@H]([NH+](C)C)C1)N(Cc1ccccc1)CC2 ZINC000096147173 222048686 /nfs/dbraw/zinc/04/86/86/222048686.db2.gz IUSKODJZYAYUPS-PXNSSMCTSA-N 2 2 367.497 1.682 40 0 FDABLP Cn1cnc2c1[C@@H](C(=O)N1CC[C@H]([NH+](C)C)C1)[N@H+](Cc1ccccc1)CC2 ZINC000096147173 222048688 /nfs/dbraw/zinc/04/86/88/222048688.db2.gz IUSKODJZYAYUPS-PXNSSMCTSA-N 2 2 367.497 1.682 40 0 FDABLP Cn1cnc2c1[C@@H](C(=O)N1CC[C@H]([NH+](C)C)C1)[N@@H+](Cc1ccccc1)CC2 ZINC000096147173 222048690 /nfs/dbraw/zinc/04/86/90/222048690.db2.gz IUSKODJZYAYUPS-PXNSSMCTSA-N 2 2 367.497 1.682 40 0 FDABLP CN1CC[NH+](C[C@@H]2CC[C@]3(COCC[N@H+](Cc4ccccc4)C3)O2)CC1 ZINC000096160309 222060133 /nfs/dbraw/zinc/06/01/33/222060133.db2.gz FPIFWDXHACCGHB-SFTDATJTSA-N 2 2 359.514 1.684 40 0 FDABLP CN1CC[NH+](C[C@@H]2CC[C@]3(COCC[N@@H+](Cc4ccccc4)C3)O2)CC1 ZINC000096160309 222060136 /nfs/dbraw/zinc/06/01/36/222060136.db2.gz FPIFWDXHACCGHB-SFTDATJTSA-N 2 2 359.514 1.684 40 0 FDABLP CCOC(=O)C1=C(O)NC(N2CC[NH+](CC)CC2)=[NH+][C@@H]1c1ccc(C)cc1 ZINC000014162952 518678483 /nfs/dbraw/zinc/67/84/83/518678483.db2.gz FPDWPUCVTBJNHV-IAGOWNOFSA-N 2 2 372.469 1.339 40 0 FDABLP O=C([C@@H]1C[N@H+](CC2CCOCC2)Cc2c[nH+]cn21)N1CCC(F)(F)CC1 ZINC000306125599 534595141 /nfs/dbraw/zinc/59/51/41/534595141.db2.gz CVFIDQKKXCEYLV-INIZCTEOSA-N 2 2 368.428 1.924 40 0 FDABLP O=C([C@@H]1C[N@@H+](CC2CCOCC2)Cc2c[nH+]cn21)N1CCC(F)(F)CC1 ZINC000306125599 534595146 /nfs/dbraw/zinc/59/51/46/534595146.db2.gz CVFIDQKKXCEYLV-INIZCTEOSA-N 2 2 368.428 1.924 40 0 FDABLP [NH3+]CCCOc1ccc(C(=O)N[C@@H]2CCC[C@@H](n3cc[nH+]c3)[C@@H]2O)cc1 ZINC000257324808 534618258 /nfs/dbraw/zinc/61/82/58/534618258.db2.gz WQGSKUGSWJEZDT-KZNAEPCWSA-N 2 2 358.442 1.495 40 0 FDABLP CCC[NH+]1CCC([N@@H+]2C[C@H]3CN(S(=O)(=O)c4ccccc4)C[C@H]32)CC1 ZINC000248181123 537170370 /nfs/dbraw/zinc/17/03/70/537170370.db2.gz YRNPAVHBFNXETG-VQIMIIECSA-N 2 2 363.527 1.866 40 0 FDABLP CCC[NH+]1CCC([N@H+]2C[C@H]3CN(S(=O)(=O)c4ccccc4)C[C@H]32)CC1 ZINC000248181123 537170371 /nfs/dbraw/zinc/17/03/71/537170371.db2.gz YRNPAVHBFNXETG-VQIMIIECSA-N 2 2 363.527 1.866 40 0 FDABLP Cc1cc(N)cc([C@H]2CN(C(=O)C[N@@H+](C)Cc3cccnc3)CCO2)[nH+]1 ZINC000257255807 223040260 /nfs/dbraw/zinc/04/02/60/223040260.db2.gz KIXUQIVQRURRPR-GOSISDBHSA-N 2 2 355.442 1.399 40 0 FDABLP Cc1cc(N)cc([C@H]2CN(C(=O)C[N@H+](C)Cc3cccnc3)CCO2)[nH+]1 ZINC000257255807 223040263 /nfs/dbraw/zinc/04/02/63/223040263.db2.gz KIXUQIVQRURRPR-GOSISDBHSA-N 2 2 355.442 1.399 40 0 FDABLP c1ccc2c(c1)OC[C@@H](C[NH2+]CC[NH2+]C[C@@H]1COc3ccccc3O1)O2 ZINC000019365900 220253998 /nfs/dbraw/zinc/25/39/98/220253998.db2.gz ZCQSZDBAOLKWID-HZPDHXFCSA-N 2 2 356.422 1.846 40 0 FDABLP COc1cc(C[NH2+]CC[NH2+]CCO)ccc1OCc1ccc(Cl)nc1 ZINC000022074902 220377510 /nfs/dbraw/zinc/37/75/10/220377510.db2.gz WGRNAWZQJZBKPR-UHFFFAOYSA-N 2 2 365.861 1.994 40 0 FDABLP Cc1cc(N)cc([C@@H]2CN(C(=O)C[N@@H+](C)Cc3cccnc3)CCO2)[nH+]1 ZINC000257255808 533885831 /nfs/dbraw/zinc/88/58/31/533885831.db2.gz KIXUQIVQRURRPR-SFHVURJKSA-N 2 2 355.442 1.399 40 0 FDABLP Cc1cc(N)cc([C@@H]2CN(C(=O)C[N@H+](C)Cc3cccnc3)CCO2)[nH+]1 ZINC000257255808 533885837 /nfs/dbraw/zinc/88/58/37/533885837.db2.gz KIXUQIVQRURRPR-SFHVURJKSA-N 2 2 355.442 1.399 40 0 FDABLP Cc1nc2c(c(N3CC[NH+](CCO)CC3)n1)C[N@H+](Cc1ccccc1)CC2 ZINC000012183356 518594208 /nfs/dbraw/zinc/59/42/08/518594208.db2.gz LAZNIZOSGUORJE-UHFFFAOYSA-N 2 2 367.497 1.458 40 0 FDABLP Cc1nc2c(c(N3CC[NH+](CCO)CC3)n1)C[N@@H+](Cc1ccccc1)CC2 ZINC000012183356 518594214 /nfs/dbraw/zinc/59/42/14/518594214.db2.gz LAZNIZOSGUORJE-UHFFFAOYSA-N 2 2 367.497 1.458 40 0 FDABLP CC(=O)N[C@]12CN(Cc3c[nH+]cn3Cc3ccccc3)C[C@H]1C[NH2+]CC2 ZINC000019713621 518830530 /nfs/dbraw/zinc/83/05/30/518830530.db2.gz CKISJUDXFNOPQW-UYAOXDASSA-N 2 2 353.470 1.231 40 0 FDABLP CCOc1cc([C@@H]([NH3+])c2nnc(CC[NH+]3CCOCC3)[nH]2)ccc1OC ZINC000095534413 525107397 /nfs/dbraw/zinc/10/73/97/525107397.db2.gz NQWPZHMNXGCNIA-QGZVFWFLSA-N 2 2 361.446 1.135 40 0 FDABLP CCOc1ccc([C@@H]([NH3+])c2nnc(CC[NH+]3CCOCC3)[nH]2)cc1OC ZINC000095534269 525107527 /nfs/dbraw/zinc/10/75/27/525107527.db2.gz RMLPPSZHRGCYOO-QGZVFWFLSA-N 2 2 361.446 1.135 40 0 FDABLP [NH3+]Cc1cccc(C(=O)N2C[C@@H](O)[C@@H](Cc3ccc4[nH+]ccn4c3)C2)c1 ZINC000257264866 223042532 /nfs/dbraw/zinc/04/25/32/223042532.db2.gz LWHMDYPEPIUXLV-ZWKOTPCHSA-N 2 2 350.422 1.469 40 0 FDABLP C[NH+](C)CCCNc1nc(NC[C@@H]2CCCO2)cc(-c2cccnc2)[nH+]1 ZINC000328996694 223128455 /nfs/dbraw/zinc/12/84/55/223128455.db2.gz JLUVMUSSNHZPDU-INIZCTEOSA-N 2 2 356.474 1.337 40 0 FDABLP COCC[NH+]1CCN(C(=O)c2ccccc2-n2cc(C[NH+](C)C)cn2)CC1 ZINC000257304463 532959574 /nfs/dbraw/zinc/95/95/74/532959574.db2.gz SLUCNTYOKIDREA-UHFFFAOYSA-N 2 2 371.485 1.338 40 0 FDABLP Cc1cc(N2CCC(O)(CN(C)C(=O)CC[NH3+])CC2)c2cnccc2[nH+]1 ZINC000257293575 132296692 /nfs/dbraw/zinc/29/66/92/132296692.db2.gz QQEFNJBLIKETCM-UHFFFAOYSA-N 2 2 357.458 1.077 40 0 FDABLP CCOC(=O)[C@@]12C[N@H+](CCOC)C[C@@H]1C[NH+](Cc1cnn(C)c1)CCC2 ZINC000096055959 222005751 /nfs/dbraw/zinc/00/57/51/222005751.db2.gz NCGGVGWKDOKAFX-HKUYNNGSSA-N 2 2 364.490 1.144 40 0 FDABLP CCOC(=O)[C@@]12C[N@@H+](CCOC)C[C@@H]1C[NH+](Cc1cnn(C)c1)CCC2 ZINC000096055959 222005753 /nfs/dbraw/zinc/00/57/53/222005753.db2.gz NCGGVGWKDOKAFX-HKUYNNGSSA-N 2 2 364.490 1.144 40 0 FDABLP CCOC(=O)[C@@]12C[NH+](CCOC)C[C@@H]1C[N@H+](Cc1cnn(C)c1)CCC2 ZINC000096055959 222005755 /nfs/dbraw/zinc/00/57/55/222005755.db2.gz NCGGVGWKDOKAFX-HKUYNNGSSA-N 2 2 364.490 1.144 40 0 FDABLP CCOC(=O)[C@@]12C[NH+](CCOC)C[C@@H]1C[N@@H+](Cc1cnn(C)c1)CCC2 ZINC000096055959 222005758 /nfs/dbraw/zinc/00/57/58/222005758.db2.gz NCGGVGWKDOKAFX-HKUYNNGSSA-N 2 2 364.490 1.144 40 0 FDABLP CC(C)[NH+]1CCN(c2ccc3ccc(C(=O)N4CC[NH+](C)CC4)cn32)CC1 ZINC000096267411 222107399 /nfs/dbraw/zinc/10/73/99/222107399.db2.gz OOQWCBNJRXTNOF-UHFFFAOYSA-N 2 2 369.513 1.857 40 0 FDABLP Cn1cc(C[N@@H+]2CC[C@@]3(C[NH+](C)C[C@@H]3COCc3cccnc3)C2)cn1 ZINC000096216569 222082265 /nfs/dbraw/zinc/08/22/65/222082265.db2.gz ROAPJOTZEJVATH-WOJBJXKFSA-N 2 2 355.486 1.786 40 0 FDABLP Cn1cc(C[N@H+]2CC[C@@]3(C[NH+](C)C[C@@H]3COCc3cccnc3)C2)cn1 ZINC000096216569 222082270 /nfs/dbraw/zinc/08/22/70/222082270.db2.gz ROAPJOTZEJVATH-WOJBJXKFSA-N 2 2 355.486 1.786 40 0 FDABLP Cn1cc(C[NH+]2CC[C@]3(C2)C[N@H+](C)C[C@@H]3COCc2cccnc2)cn1 ZINC000096216569 222082272 /nfs/dbraw/zinc/08/22/72/222082272.db2.gz ROAPJOTZEJVATH-WOJBJXKFSA-N 2 2 355.486 1.786 40 0 FDABLP Cn1cc(C[NH+]2CC[C@]3(C2)C[N@@H+](C)C[C@@H]3COCc2cccnc2)cn1 ZINC000096216569 222082275 /nfs/dbraw/zinc/08/22/75/222082275.db2.gz ROAPJOTZEJVATH-WOJBJXKFSA-N 2 2 355.486 1.786 40 0 FDABLP Cc1cc(N2CC[C@](O)(CN(C)C(=O)CCC[NH3+])C2)c2cnccc2[nH+]1 ZINC000257282392 533912173 /nfs/dbraw/zinc/91/21/73/533912173.db2.gz OTOUICGNYQHGDB-IBGZPJMESA-N 2 2 357.458 1.077 40 0 FDABLP CCOC(=O)[C@H]([NH3+])CSCCCCSC[C@@H]([NH3+])C(=O)OCC ZINC000004783083 518312557 /nfs/dbraw/zinc/31/25/57/518312557.db2.gz RITZJZRVOBCNDH-VXGBXAGGSA-N 2 2 352.522 1.014 40 0 FDABLP Nc1nc2c(c(N)[nH+]1)C[C@@]1(COCC[N@H+](CCCc3ccccc3)C1)O2 ZINC000257256122 534747471 /nfs/dbraw/zinc/74/74/71/534747471.db2.gz KKEDNZJXGJQVDF-LJQANCHMSA-N 2 2 355.442 1.280 40 0 FDABLP Nc1nc2c(c(N)[nH+]1)C[C@@]1(COCC[N@@H+](CCCc3ccccc3)C1)O2 ZINC000257256122 534747477 /nfs/dbraw/zinc/74/74/77/534747477.db2.gz KKEDNZJXGJQVDF-LJQANCHMSA-N 2 2 355.442 1.280 40 0 FDABLP C[NH+]1CCN(Cc2nc(C3(O)CC[NH+](C4CCC4)CC3)cs2)CC1 ZINC000225424883 537546990 /nfs/dbraw/zinc/54/69/90/537546990.db2.gz LUGNENMMTKRBLT-UHFFFAOYSA-N 2 2 350.532 1.726 40 0 biogenic,in-vitro FDABLP Cc1ccc(C[N@@H+]2CCOC[C@@]3(CC[C@H](C[NH+]4CCOCC4)O3)C2)o1 ZINC000096052358 222003738 /nfs/dbraw/zinc/00/37/38/222003738.db2.gz UVGZUIXWZUAXOA-RTBURBONSA-N 2 2 350.459 1.670 40 0 FDABLP Cc1ccc(C[N@H+]2CCOC[C@@]3(CC[C@H](C[NH+]4CCOCC4)O3)C2)o1 ZINC000096052358 222003739 /nfs/dbraw/zinc/00/37/39/222003739.db2.gz UVGZUIXWZUAXOA-RTBURBONSA-N 2 2 350.459 1.670 40 0 FDABLP O=C(C[C@@H]1[NH2+][C@@H]2CCCC[C@@H]2NC1=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000002341849 518239599 /nfs/dbraw/zinc/23/95/99/518239599.db2.gz ROUPVEVEXKIBOB-QYZOEREBSA-N 2 2 370.497 1.120 40 0 FDABLP CC[C@@H](C)Nc1nc(NCCN2CC[NH+](C)CC2)cc(-c2ccncc2)[nH+]1 ZINC000329018010 529357552 /nfs/dbraw/zinc/35/75/52/529357552.db2.gz NOTZGRGVDXSAMS-MRXNPFEDSA-N 2 2 369.517 1.252 40 0 FDABLP C[C@@]1(CO)C[N@H+](Cc2ccccc2)C[C@@H]2C[NH+](C3CCOCC3)CCN21 ZINC000253402841 560040363 /nfs/dbraw/zinc/04/03/63/560040363.db2.gz OXKBHXIEOKCVOP-RTWAWAEBSA-N 2 2 359.514 1.418 40 0 biogenic,in-vitro FDABLP C[C@@]1(CO)C[N@@H+](Cc2ccccc2)C[C@@H]2C[NH+](C3CCOCC3)CCN21 ZINC000253402841 560040365 /nfs/dbraw/zinc/04/03/65/560040365.db2.gz OXKBHXIEOKCVOP-RTWAWAEBSA-N 2 2 359.514 1.418 40 0 biogenic,in-vitro FDABLP C[C@@]1(CO)C[NH+](Cc2ccccc2)C[C@@H]2C[N@@H+](C3CCOCC3)CCN21 ZINC000253402841 560040367 /nfs/dbraw/zinc/04/03/67/560040367.db2.gz OXKBHXIEOKCVOP-RTWAWAEBSA-N 2 2 359.514 1.418 40 0 biogenic,in-vitro FDABLP C[C@@]1(CO)C[NH+](Cc2ccccc2)C[C@@H]2C[N@H+](C3CCOCC3)CCN21 ZINC000253402841 560040368 /nfs/dbraw/zinc/04/03/68/560040368.db2.gz OXKBHXIEOKCVOP-RTWAWAEBSA-N 2 2 359.514 1.418 40 0 biogenic,in-vitro FDABLP Cc1cn(-c2cc[nH+]c([C@H]3CCCN(S(=O)(=O)N(C)C)C3)c2)c(C)[nH+]1 ZINC000257277213 223047166 /nfs/dbraw/zinc/04/71/66/223047166.db2.gz NWWWOVVRGXUAGD-HNNXBMFYSA-N 2 2 363.487 1.870 40 0 FDABLP O=C(C[N@@H+]1CCC[C@@H]1Cn1cccn1)N1CCN(c2cccc[nH+]2)CC1 ZINC000019659019 518822992 /nfs/dbraw/zinc/82/29/92/518822992.db2.gz KIRHXJANUBMUHH-QGZVFWFLSA-N 2 2 354.458 1.091 40 0 FDABLP O=C(C[N@H+]1CCC[C@@H]1Cn1cccn1)N1CCN(c2cccc[nH+]2)CC1 ZINC000019659019 518822999 /nfs/dbraw/zinc/82/29/99/518822999.db2.gz KIRHXJANUBMUHH-QGZVFWFLSA-N 2 2 354.458 1.091 40 0 FDABLP CNc1cc(C[N@H+](C)CC(=O)NC2CCCCC2)nc([C@@H]2CCC[NH2+]C2)n1 ZINC000019709701 518828196 /nfs/dbraw/zinc/82/81/96/518828196.db2.gz QYEHJZFSUBQKCT-OAHLLOKOSA-N 2 2 374.533 1.866 40 0 FDABLP CNc1cc(C[N@@H+](C)CC(=O)NC2CCCCC2)nc([C@@H]2CCC[NH2+]C2)n1 ZINC000019709701 518828201 /nfs/dbraw/zinc/82/82/01/518828201.db2.gz QYEHJZFSUBQKCT-OAHLLOKOSA-N 2 2 374.533 1.866 40 0 FDABLP CCOC(=O)C1=C(O)NC(N2CC[NH+](CC)CC2)=[NH+][C@H]1c1cccc(C)c1 ZINC000020801350 521093560 /nfs/dbraw/zinc/09/35/60/521093560.db2.gz ANIUPIGGXJOUQI-IRXDYDNUSA-N 2 2 372.469 1.339 40 0 FDABLP COc1cc2[nH+]cn([C@H]3[C@@H]4OC[C@@H](O4)[C@@H]([NH2+]C(C)C)[C@@H]3O)c2cc1OC ZINC000952844812 960131671 /nfs/dbraw/zinc/13/16/71/960131671.db2.gz KWFPGSCUECIEOS-HSFUPAIVSA-N 2 2 363.414 1.077 40 0 biogenic,in-vitro FDABLP O=S1(=O)CC[C@@H]([NH2+]CCn2c[nH+]cc2-c2cnn(-c3ccccc3)c2)C1 ZINC000019719557 220291911 /nfs/dbraw/zinc/29/19/11/220291911.db2.gz FZYYYLAZTKZZHZ-MRXNPFEDSA-N 2 2 371.466 1.513 40 0 FDABLP O=C(C[N@H+]1CCc2nnc([C@H]3CCC[NH2+]3)n2CC1)Nc1ccccc1F ZINC000019706295 220286275 /nfs/dbraw/zinc/28/62/75/220286275.db2.gz OLADLXFPXXHEEG-OAHLLOKOSA-N 2 2 358.421 1.339 40 0 FDABLP O=C(C[N@@H+]1CCc2nnc([C@H]3CCC[NH2+]3)n2CC1)Nc1ccccc1F ZINC000019706295 220286280 /nfs/dbraw/zinc/28/62/80/220286280.db2.gz OLADLXFPXXHEEG-OAHLLOKOSA-N 2 2 358.421 1.339 40 0 FDABLP CO[C@@H]1CCN(C(=O)C[NH+](C)C)[C@@H]2C[N@H+](Cc3csc(C)n3)C[C@@H]21 ZINC000096218211 222081702 /nfs/dbraw/zinc/08/17/02/222081702.db2.gz LDTLJQRBCCULOR-ARFHVFGLSA-N 2 2 352.504 1.061 40 0 FDABLP CO[C@@H]1CCN(C(=O)C[NH+](C)C)[C@@H]2C[N@@H+](Cc3csc(C)n3)C[C@@H]21 ZINC000096218211 222081706 /nfs/dbraw/zinc/08/17/06/222081706.db2.gz LDTLJQRBCCULOR-ARFHVFGLSA-N 2 2 352.504 1.061 40 0 FDABLP COc1ccccc1NS(=O)(=O)c1cccc(NC(=[NH2+])NC(N)=[NH2+])c1 ZINC000004530530 518302513 /nfs/dbraw/zinc/30/25/13/518302513.db2.gz YHICNMWGNPHCKA-UHFFFAOYSA-N 2 2 362.415 1.326 40 0 FDABLP C[NH+](C)CC[C@H]1CN(Cc2ccc(S(C)(=O)=O)cc2)Cc2c[nH+]cn21 ZINC000248122011 537167395 /nfs/dbraw/zinc/16/73/95/537167395.db2.gz NJBNPHXRCPOAPB-INIZCTEOSA-N 2 2 362.499 1.795 40 0 FDABLP COc1cc(C)ccc1S(=O)(=O)N1Cc2c[nH+]cn2[C@@H](C[NH+](C)C)C1 ZINC000248130647 537168066 /nfs/dbraw/zinc/16/80/66/537168066.db2.gz QEHSXVUJCPVYBD-HNNXBMFYSA-N 2 2 364.471 1.507 40 0 FDABLP O=S(=O)(NC[C@H]1C[C@@H]2CC[N@@H+]1C[C@@H]2C[NH+]1CCCC1)c1ccccc1 ZINC000012602376 291044984 /nfs/dbraw/zinc/04/49/84/291044984.db2.gz LYXWLNHERINLJO-OKZBNKHCSA-N 2 2 363.527 1.771 40 0 biogenic,in-vitro FDABLP O=S(=O)(NC[C@H]1C[C@@H]2CC[N@H+]1C[C@@H]2C[NH+]1CCCC1)c1ccccc1 ZINC000012602376 291044986 /nfs/dbraw/zinc/04/49/86/291044986.db2.gz LYXWLNHERINLJO-OKZBNKHCSA-N 2 2 363.527 1.771 40 0 biogenic,in-vitro FDABLP COc1ncc(C[N@@H+]2CCC[C@@H](c3cncc(-n4cc[nH+]c4)n3)C2)cn1 ZINC000257342094 223072106 /nfs/dbraw/zinc/07/21/06/223072106.db2.gz ZNBVLPMSBJHJPA-OAHLLOKOSA-N 2 2 351.414 1.841 40 0 FDABLP COc1ncc(C[N@H+]2CCC[C@@H](c3cncc(-n4cc[nH+]c4)n3)C2)cn1 ZINC000257342094 223072108 /nfs/dbraw/zinc/07/21/08/223072108.db2.gz ZNBVLPMSBJHJPA-OAHLLOKOSA-N 2 2 351.414 1.841 40 0 FDABLP CN(C)C(=O)c1cnn2c1nccc2[C@H]1CCC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000257343982 223073318 /nfs/dbraw/zinc/07/33/18/223073318.db2.gz ZVFLZDPNBFWLEN-HNNXBMFYSA-N 2 2 370.501 1.705 40 0 FDABLP CN(C)C(=O)c1cnn2c1nccc2[C@H]1CCC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000257343982 223073319 /nfs/dbraw/zinc/07/33/19/223073319.db2.gz ZVFLZDPNBFWLEN-HNNXBMFYSA-N 2 2 370.501 1.705 40 0 FDABLP CS(=O)(=O)c1ccc(C[N@@H+]2C[C@H]3OC[C@@H](C[NH+]4CCCC4)[C@H]3C2)cc1 ZINC000306136127 533441972 /nfs/dbraw/zinc/44/19/72/533441972.db2.gz PKCGSJIKBKEXII-BHIYHBOVSA-N 2 2 364.511 1.633 40 0 FDABLP CS(=O)(=O)c1ccc(C[N@H+]2C[C@H]3OC[C@@H](C[NH+]4CCCC4)[C@H]3C2)cc1 ZINC000306136127 533441977 /nfs/dbraw/zinc/44/19/77/533441977.db2.gz PKCGSJIKBKEXII-BHIYHBOVSA-N 2 2 364.511 1.633 40 0 FDABLP CN(C[C@]1(O)CCCN(c2cc[nH+]c3ccncc32)C1)C(=O)CCCC[NH3+] ZINC000257271855 132296284 /nfs/dbraw/zinc/29/62/84/132296284.db2.gz NABLTHULMBUWAH-HXUWFJFHSA-N 2 2 371.485 1.549 40 0 FDABLP Cc1ccc(C[N@H+]2CC[C@H]3O[C@@H](C(=O)N4CC[NH+](C)CC4)CC[C@H]32)s1 ZINC000096057506 222005719 /nfs/dbraw/zinc/00/57/19/222005719.db2.gz VWKALYZRMRVOCY-KZNAEPCWSA-N 2 2 363.527 1.952 40 0 FDABLP Cc1ccc(C[N@@H+]2CC[C@H]3O[C@@H](C(=O)N4CC[NH+](C)CC4)CC[C@H]32)s1 ZINC000096057506 222005722 /nfs/dbraw/zinc/00/57/22/222005722.db2.gz VWKALYZRMRVOCY-KZNAEPCWSA-N 2 2 363.527 1.952 40 0 FDABLP CC(=O)N[C@]12C[N@H+](Cc3cc4ccccc4nc3N(C)C)C[C@H]1C[NH2+]CC2 ZINC000019713637 518830496 /nfs/dbraw/zinc/83/04/96/518830496.db2.gz MKXYWLSHOGYXRJ-WIYYLYMNSA-N 2 2 367.497 1.601 40 0 FDABLP CC(=O)N[C@]12C[N@@H+](Cc3cc4ccccc4nc3N(C)C)C[C@H]1C[NH2+]CC2 ZINC000019713637 518830503 /nfs/dbraw/zinc/83/05/03/518830503.db2.gz MKXYWLSHOGYXRJ-WIYYLYMNSA-N 2 2 367.497 1.601 40 0 FDABLP CCc1[nH+]ccn1CCC(=O)NC[C@@]1(O)CCCN(c2cccc[nH+]2)C1 ZINC000257268846 132295908 /nfs/dbraw/zinc/29/59/08/132295908.db2.gz MNLYGYTXWIVMTE-IBGZPJMESA-N 2 2 357.458 1.378 40 0 FDABLP COC(=O)c1ccc2c(c1)CCN(c1cc(NCC[NH+](C)C)nc[nH+]1)C2 ZINC000328966217 132371878 /nfs/dbraw/zinc/37/18/78/132371878.db2.gz CIXDLKKCMOTQRI-UHFFFAOYSA-N 2 2 355.442 1.799 40 0 FDABLP CC(=O)N[C@]12C[NH2+]C[C@H]1C[N@H+](Cc1cc3ccccc3nc1N(C)C)CC2 ZINC000019713070 518830415 /nfs/dbraw/zinc/83/04/15/518830415.db2.gz VOAFLRCDMDOJSS-GHTZIAJQSA-N 2 2 367.497 1.601 40 0 FDABLP CC(=O)N[C@]12C[NH2+]C[C@H]1C[N@@H+](Cc1cc3ccccc3nc1N(C)C)CC2 ZINC000019713070 518830422 /nfs/dbraw/zinc/83/04/22/518830422.db2.gz VOAFLRCDMDOJSS-GHTZIAJQSA-N 2 2 367.497 1.601 40 0 FDABLP O=C(C[NH+]1CCC2(CC1)Nc1cc(Cl)ccc1C1=[NH+]CCN12)NC1CC1 ZINC000072327112 522216297 /nfs/dbraw/zinc/21/62/97/522216297.db2.gz HDVKRDIJAVWLPI-UHFFFAOYSA-N 2 2 373.888 1.898 40 0 FDABLP C[N@H+](CCc1ccccc1)[C@H]1[C@@H](C[NH2+]C2CCCCC2)O[C@@H](CO)[C@H]1O ZINC000020465830 522957110 /nfs/dbraw/zinc/95/71/10/522957110.db2.gz DFTYQPPYGKMYJX-IVAOSVALSA-N 2 2 362.514 1.572 40 0 biogenic,in-vitro FDABLP C[N@@H+](CCc1ccccc1)[C@H]1[C@@H](C[NH2+]C2CCCCC2)O[C@@H](CO)[C@H]1O ZINC000020465830 522957115 /nfs/dbraw/zinc/95/71/15/522957115.db2.gz DFTYQPPYGKMYJX-IVAOSVALSA-N 2 2 362.514 1.572 40 0 biogenic,in-vitro FDABLP COc1ccc(C[N@@H+]2CCCn3nnc(COCC[NH+](C)C)c3C2)cc1 ZINC000096058828 525129878 /nfs/dbraw/zinc/12/98/78/525129878.db2.gz FLRLRAPGCYVCMF-UHFFFAOYSA-N 2 2 359.474 1.771 40 0 FDABLP COc1ccc(C[N@H+]2CCCn3nnc(COCC[NH+](C)C)c3C2)cc1 ZINC000096058828 525129888 /nfs/dbraw/zinc/12/98/88/525129888.db2.gz FLRLRAPGCYVCMF-UHFFFAOYSA-N 2 2 359.474 1.771 40 0 FDABLP C[NH+](C)CCCNc1nc(NCc2ccco2)cc(-c2cccnc2)[nH+]1 ZINC000328983226 571105952 /nfs/dbraw/zinc/10/59/52/571105952.db2.gz HFFSWFRJXSHESZ-UHFFFAOYSA-N 2 2 352.442 1.951 40 0 FDABLP CC[C@@H](C)Nc1nc(NCCN2CC[NH+](C)CC2)cc(-c2cccnc2)[nH+]1 ZINC000329012101 571107212 /nfs/dbraw/zinc/10/72/12/571107212.db2.gz MJKHTPIJMVQYNR-MRXNPFEDSA-N 2 2 369.517 1.252 40 0 FDABLP C[N@H+](CCC(=O)N1CC[C@H](O)[C@@H](n2cc[nH+]c2)CC1)Cc1cccnc1 ZINC000257325950 571162265 /nfs/dbraw/zinc/16/22/65/571162265.db2.gz WVDREQYDMVWYOV-ROUUACIJSA-N 2 2 357.458 1.325 40 0 FDABLP C[N@@H+](CCC(=O)N1CC[C@H](O)[C@@H](n2cc[nH+]c2)CC1)Cc1cccnc1 ZINC000257325950 571162267 /nfs/dbraw/zinc/16/22/67/571162267.db2.gz WVDREQYDMVWYOV-ROUUACIJSA-N 2 2 357.458 1.325 40 0 FDABLP CN(C)C(=O)c1cnn2c1nccc2[C@@H]1CCC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000257343983 571163263 /nfs/dbraw/zinc/16/32/63/571163263.db2.gz ZVFLZDPNBFWLEN-OAHLLOKOSA-N 2 2 370.501 1.705 40 0 FDABLP CN(C)C(=O)c1cnn2c1nccc2[C@@H]1CCC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000257343983 571163265 /nfs/dbraw/zinc/16/32/65/571163265.db2.gz ZVFLZDPNBFWLEN-OAHLLOKOSA-N 2 2 370.501 1.705 40 0 FDABLP COCC(=O)NC[C@H]1C[C@@H]2CC[N@@H+]1C[C@@H]2C[NH+](C)CCc1ccccn1 ZINC000008636197 291039430 /nfs/dbraw/zinc/03/94/30/291039430.db2.gz BVTSMOFYVPKDJS-JENIJYKNSA-N 2 2 360.502 1.029 40 0 biogenic,in-vitro FDABLP COCC(=O)NC[C@H]1C[C@@H]2CC[N@H+]1C[C@@H]2C[NH+](C)CCc1ccccn1 ZINC000008636197 291039431 /nfs/dbraw/zinc/03/94/31/291039431.db2.gz BVTSMOFYVPKDJS-JENIJYKNSA-N 2 2 360.502 1.029 40 0 biogenic,in-vitro FDABLP COCC(=O)NC[C@H]1C[C@@H]2CC[NH+]1C[C@@H]2C[N@H+](C)CCc1ccccn1 ZINC000008636197 291039432 /nfs/dbraw/zinc/03/94/32/291039432.db2.gz BVTSMOFYVPKDJS-JENIJYKNSA-N 2 2 360.502 1.029 40 0 biogenic,in-vitro FDABLP COCC(=O)NC[C@H]1C[C@@H]2CC[NH+]1C[C@@H]2C[N@@H+](C)CCc1ccccn1 ZINC000008636197 291039433 /nfs/dbraw/zinc/03/94/33/291039433.db2.gz BVTSMOFYVPKDJS-JENIJYKNSA-N 2 2 360.502 1.029 40 0 biogenic,in-vitro FDABLP CCN(CC)C(=O)C[N@@H+]1CCc2c(nc(C3CC[NH2+]CC3)nc2NC)C1 ZINC000019711355 518828549 /nfs/dbraw/zinc/82/85/49/518828549.db2.gz NJBIXPJSHNUMEI-UHFFFAOYSA-N 2 2 360.506 1.212 40 0 FDABLP CCN(CC)C(=O)C[N@H+]1CCc2c(nc(C3CC[NH2+]CC3)nc2NC)C1 ZINC000019711355 518828559 /nfs/dbraw/zinc/82/85/59/518828559.db2.gz NJBIXPJSHNUMEI-UHFFFAOYSA-N 2 2 360.506 1.212 40 0 FDABLP CN(Cc1ccccn1)C(=O)[C@H]1C[N@@H+](C2CCOCC2)Cc2c[nH+]cn21 ZINC000306134654 571038911 /nfs/dbraw/zinc/03/89/11/571038911.db2.gz NUOJPRUYZNAGME-GOSISDBHSA-N 2 2 355.442 1.472 40 0 FDABLP CN(Cc1ccccn1)C(=O)[C@H]1C[N@H+](C2CCOCC2)Cc2c[nH+]cn21 ZINC000306134654 571038912 /nfs/dbraw/zinc/03/89/12/571038912.db2.gz NUOJPRUYZNAGME-GOSISDBHSA-N 2 2 355.442 1.472 40 0 FDABLP COc1ccccc1[C@H]1[NH+]=C(N2CC[NH+](C)CC2)Nc2nc(C)cc(=O)n21 ZINC000009289604 206247850 /nfs/dbraw/zinc/24/78/50/206247850.db2.gz GUFHHYSXVCKMEA-KRWDZBQOSA-N 2 2 368.441 1.136 40 0 FDABLP Cc1cc(N2CCC[C@@](O)(CNC(=O)CCC[NH3+])C2)c2cnccc2[nH+]1 ZINC000257337848 132297674 /nfs/dbraw/zinc/29/76/74/132297674.db2.gz YURANJSIHNYTPO-LJQANCHMSA-N 2 2 357.458 1.125 40 0 FDABLP C[NH+](C)C[C@H]1CN(S(=O)(=O)c2ccccc2Cl)Cc2c[nH+]cn21 ZINC000248146799 537168684 /nfs/dbraw/zinc/16/86/84/537168684.db2.gz VZKQMKOXBOMRKR-ZDUSSCGKSA-N 2 2 354.863 1.844 40 0 FDABLP C[NH+](C)Cc1cnc(CC2CCN(C(=O)CCn3cc[nH+]c3)CC2)cn1 ZINC000257250643 571154551 /nfs/dbraw/zinc/15/45/51/571154551.db2.gz JNKGVROTIXAJKW-UHFFFAOYSA-N 2 2 356.474 1.606 40 0 FDABLP Cc1[nH+]c2ccccc2n1CC(=O)N(C)[C@@H]1CC[C@@H]([NH+]2CCOCC2)[C@@H]1O ZINC000257306188 571160092 /nfs/dbraw/zinc/16/00/92/571160092.db2.gz STFNQYLXWPLPAJ-QWFCFKBJSA-N 2 2 372.469 1.027 40 0 FDABLP O=C(NC[C@H]1C[C@@H]2CC[N@@H+]1C[C@@H]2C[NH+]1CCCC1)c1ccc2c(c1)OCO2 ZINC000067870741 523616655 /nfs/dbraw/zinc/61/66/55/523616655.db2.gz AOSNVAMEIRVCAQ-RYQLBKOJSA-N 2 2 371.481 1.951 40 0 biogenic,in-vitro FDABLP O=C(NC[C@H]1C[C@@H]2CC[N@H+]1C[C@@H]2C[NH+]1CCCC1)c1ccc2c(c1)OCO2 ZINC000067870741 523616660 /nfs/dbraw/zinc/61/66/60/523616660.db2.gz AOSNVAMEIRVCAQ-RYQLBKOJSA-N 2 2 371.481 1.951 40 0 biogenic,in-vitro FDABLP CN1CC[NH+](C[C@H]2CC[C@@]3(COCC[N@H+](Cc4ccccc4)C3)O2)CC1 ZINC000096160307 525144718 /nfs/dbraw/zinc/14/47/18/525144718.db2.gz FPIFWDXHACCGHB-NHCUHLMSSA-N 2 2 359.514 1.684 40 0 FDABLP CN1CC[NH+](C[C@H]2CC[C@@]3(COCC[N@@H+](Cc4ccccc4)C3)O2)CC1 ZINC000096160307 525144721 /nfs/dbraw/zinc/14/47/21/525144721.db2.gz FPIFWDXHACCGHB-NHCUHLMSSA-N 2 2 359.514 1.684 40 0 FDABLP COc1ccc(-c2c[nH+]c3n2CC2(C3)CC[NH+](CC(=O)N(C)C)CC2)cn1 ZINC000306144052 571043039 /nfs/dbraw/zinc/04/30/39/571043039.db2.gz YUMNXFQGYZBKPE-UHFFFAOYSA-N 2 2 369.469 1.680 40 0 FDABLP C[NH+](C)CCCNc1nc(NC[C@H]2CCCO2)cc(-c2ccncc2)[nH+]1 ZINC000328996567 571106526 /nfs/dbraw/zinc/10/65/26/571106526.db2.gz JKHUIXNMBXFWSQ-MRXNPFEDSA-N 2 2 356.474 1.337 40 0 FDABLP C[N@H+](CCc1ccccn1)[C@H]1[C@H]([NH3+])C[C@@H](Oc2ccc(F)cc2F)[C@@H]1O ZINC000257229118 571321743 /nfs/dbraw/zinc/32/17/43/571321743.db2.gz FWSTVESPRYROKM-YSHGAJCASA-N 2 2 363.408 1.742 40 0 FDABLP C[N@@H+](CCc1ccccn1)[C@H]1[C@H]([NH3+])C[C@@H](Oc2ccc(F)cc2F)[C@@H]1O ZINC000257229118 571321744 /nfs/dbraw/zinc/32/17/44/571321744.db2.gz FWSTVESPRYROKM-YSHGAJCASA-N 2 2 363.408 1.742 40 0 FDABLP CCOc1cc(C[NH2+]CC[NH2+]CCO)ccc1OCC(=O)NC(C)(C)C ZINC000022075880 518892004 /nfs/dbraw/zinc/89/20/04/518892004.db2.gz YEMNCYMOYMHFRA-UHFFFAOYSA-N 2 2 367.490 1.050 40 0 FDABLP C[NH+](C)Cc1cn(C[C@H]2C[C@@H]3CC[N@H+]2C[C@@H]3C(=O)NC2CCCCC2)nn1 ZINC000008298874 560108221 /nfs/dbraw/zinc/10/82/21/560108221.db2.gz CSNDFUBIEACSGJ-IPELMVKDSA-N 2 2 374.533 1.499 40 0 biogenic,in-vitro FDABLP C[N@@H+]1C[C@@H](c2ccccc2)[C@H]2[C@H]1CN(C(=O)Cn1cc[nH+]c1)CC[C@H]2O ZINC000257215231 571151003 /nfs/dbraw/zinc/15/10/03/571151003.db2.gz CPFJZHCLOFEFPX-XFKSJGNHSA-N 2 2 354.454 1.190 40 0 FDABLP C[N@H+]1C[C@@H](c2ccccc2)[C@H]2[C@H]1CN(C(=O)Cn1cc[nH+]c1)CC[C@H]2O ZINC000257215231 571151004 /nfs/dbraw/zinc/15/10/04/571151004.db2.gz CPFJZHCLOFEFPX-XFKSJGNHSA-N 2 2 354.454 1.190 40 0 FDABLP CCc1[nH+]c2cc(NC(=O)[C@@H]3CC(=O)N(CC[NH+](C)C)C3)ccc2n1CC ZINC000019523201 518814366 /nfs/dbraw/zinc/81/43/66/518814366.db2.gz CVUISAKNJYMDHH-CQSZACIVSA-N 2 2 371.485 1.967 40 0 FDABLP COc1ccc(C[N@@H+]2CC[C@@H]3[C@H]2CCC(=O)N3CC[NH+]2CCOCC2)cc1 ZINC000096056566 525128395 /nfs/dbraw/zinc/12/83/95/525128395.db2.gz SIUABPWCZURLQC-WOJBJXKFSA-N 2 2 373.497 1.593 40 0 FDABLP COc1ccc(C[N@H+]2CC[C@@H]3[C@H]2CCC(=O)N3CC[NH+]2CCOCC2)cc1 ZINC000096056566 525128400 /nfs/dbraw/zinc/12/84/00/525128400.db2.gz SIUABPWCZURLQC-WOJBJXKFSA-N 2 2 373.497 1.593 40 0 FDABLP COc1ccc(C[N@@H+]2CC[C@H]3O[C@@H](C(=O)N4CC[NH+](C)CC4)CC[C@H]32)cc1 ZINC000096057507 525130649 /nfs/dbraw/zinc/13/06/49/525130649.db2.gz XYPIIAQLCSYJPP-VAMGGRTRSA-N 2 2 373.497 1.591 40 0 FDABLP COc1ccc(C[N@H+]2CC[C@H]3O[C@@H](C(=O)N4CC[NH+](C)CC4)CC[C@H]32)cc1 ZINC000096057507 525130659 /nfs/dbraw/zinc/13/06/59/525130659.db2.gz XYPIIAQLCSYJPP-VAMGGRTRSA-N 2 2 373.497 1.591 40 0 FDABLP Cc1cc(N2CCc3cc(C(C)(C)O)ccc3C2)nc(NCC[NH+](C)C)[nH+]1 ZINC000328981966 571130518 /nfs/dbraw/zinc/13/05/18/571130518.db2.gz GXHZSNSMJRDCKN-UHFFFAOYSA-N 2 2 369.513 2.549 40 0 FDABLP CC(C)c1[nH+]ccn1CCC(=O)NC[C@@]1(O)CCN(c2cccc[nH+]2)C1 ZINC000257209485 571150246 /nfs/dbraw/zinc/15/02/46/571150246.db2.gz BQPAZZCACQZVGC-IBGZPJMESA-N 2 2 357.458 1.549 40 0 FDABLP Nc1nc2c(c(N)[nH+]1)C[C@]1(COCC[N@H+](CCCc3ccccc3)C1)O2 ZINC000257256121 571155134 /nfs/dbraw/zinc/15/51/34/571155134.db2.gz KKEDNZJXGJQVDF-IBGZPJMESA-N 2 2 355.442 1.280 40 0 FDABLP Nc1nc2c(c(N)[nH+]1)C[C@]1(COCC[N@@H+](CCCc3ccccc3)C1)O2 ZINC000257256121 571155135 /nfs/dbraw/zinc/15/51/35/571155135.db2.gz KKEDNZJXGJQVDF-IBGZPJMESA-N 2 2 355.442 1.280 40 0 FDABLP CCN1CCc2cc(-c3c[nH+]cn3CC[NH2+][C@@H]3CCS(=O)(=O)C3)ccc21 ZINC000019719391 518831667 /nfs/dbraw/zinc/83/16/67/518831667.db2.gz OOQLGFSXKXFUNI-QGZVFWFLSA-N 2 2 374.510 1.709 40 0 FDABLP Fc1ccc(C[N@@H+]2CCOC[C@]3(CC[C@H](C[NH+]4CCOCC4)O3)C2)cc1 ZINC000096052361 525126884 /nfs/dbraw/zinc/12/68/84/525126884.db2.gz ZNOUBTJUXXVMAQ-UXHICEINSA-N 2 2 364.461 1.908 40 0 FDABLP Fc1ccc(C[N@H+]2CCOC[C@]3(CC[C@H](C[NH+]4CCOCC4)O3)C2)cc1 ZINC000096052361 525126889 /nfs/dbraw/zinc/12/68/89/525126889.db2.gz ZNOUBTJUXXVMAQ-UXHICEINSA-N 2 2 364.461 1.908 40 0 FDABLP Cc1[nH+]c2ccccc2n1CC(=O)N(C)[C@@H]1CC[C@@H]([NH+]2CCCC2)[C@@H]1O ZINC000257302812 571159884 /nfs/dbraw/zinc/15/98/84/571159884.db2.gz SEOAYTHEMFHDAT-QWFCFKBJSA-N 2 2 356.470 1.791 40 0 FDABLP C[NH+](C)Cc1cn(C[C@H]2C[C@@H]3CC[N@H+]2C[C@@H]3C(=O)Nc2ccccc2)nn1 ZINC000008298304 571360320 /nfs/dbraw/zinc/36/03/20/571360320.db2.gz AESUIWORDHIPMF-IPELMVKDSA-N 2 2 368.485 1.689 40 0 biogenic,in-vitro FDABLP c1csc(C[N@H+]2CCOC[C@]3(CC[C@@H](C[NH+]4CCOCC4)O3)C2)c1 ZINC000107739645 206024089 /nfs/dbraw/zinc/02/40/89/206024089.db2.gz VLOPLKIFDCEXIE-WMZOPIPTSA-N 2 2 352.500 1.830 40 0 FDABLP c1csc(C[N@@H+]2CCOC[C@]3(CC[C@@H](C[NH+]4CCOCC4)O3)C2)c1 ZINC000107739645 206024095 /nfs/dbraw/zinc/02/40/95/206024095.db2.gz VLOPLKIFDCEXIE-WMZOPIPTSA-N 2 2 352.500 1.830 40 0 FDABLP COc1ccccc1[C@@H]1[NH+]=C(N2CC[NH+](C)CC2)Nc2nc(C)cc(=O)n21 ZINC000009289608 206247600 /nfs/dbraw/zinc/24/76/00/206247600.db2.gz GUFHHYSXVCKMEA-QGZVFWFLSA-N 2 2 368.441 1.136 40 0 FDABLP Cc1nc2c(c(N3CC[NH+](CCO)CC3)n1)CC[N@H+](Cc1ccccc1)C2 ZINC000012338358 518605569 /nfs/dbraw/zinc/60/55/69/518605569.db2.gz MNCUHCMGWDNGFV-UHFFFAOYSA-N 2 2 367.497 1.458 40 0 FDABLP Cc1nc2c(c(N3CC[NH+](CCO)CC3)n1)CC[N@@H+](Cc1ccccc1)C2 ZINC000012338358 518605578 /nfs/dbraw/zinc/60/55/78/518605578.db2.gz MNCUHCMGWDNGFV-UHFFFAOYSA-N 2 2 367.497 1.458 40 0 FDABLP CNc1cc(C[N@H+](C)CC(=O)NC2CCCCC2)nc([C@H]2CCC[NH2+]C2)n1 ZINC000019709702 518828301 /nfs/dbraw/zinc/82/83/01/518828301.db2.gz QYEHJZFSUBQKCT-HNNXBMFYSA-N 2 2 374.533 1.866 40 0 FDABLP CNc1cc(C[N@@H+](C)CC(=O)NC2CCCCC2)nc([C@H]2CCC[NH2+]C2)n1 ZINC000019709702 518828306 /nfs/dbraw/zinc/82/83/06/518828306.db2.gz QYEHJZFSUBQKCT-HNNXBMFYSA-N 2 2 374.533 1.866 40 0 FDABLP COc1cc2c(cc1C[N@@H+]1CCn3c(nnc3[C@H]3CCC[NH2+]3)C1)OCCO2 ZINC000072373937 522229652 /nfs/dbraw/zinc/22/96/52/522229652.db2.gz ZMONXIQEPHROTP-CQSZACIVSA-N 2 2 371.441 1.498 40 0 FDABLP COc1cc2c(cc1C[N@H+]1CCn3c(nnc3[C@H]3CCC[NH2+]3)C1)OCCO2 ZINC000072373937 522229659 /nfs/dbraw/zinc/22/96/59/522229659.db2.gz ZMONXIQEPHROTP-CQSZACIVSA-N 2 2 371.441 1.498 40 0 FDABLP Cc1ncsc1C[N@@H+]1CCOC[C@@]2(CC[C@@H](C[NH+]3CCOCC3)O2)C1 ZINC000306138405 571041024 /nfs/dbraw/zinc/04/10/24/571041024.db2.gz RWWZSWKCZUVEKH-FUHWJXTLSA-N 2 2 367.515 1.534 40 0 FDABLP Cc1ncsc1C[N@H+]1CCOC[C@@]2(CC[C@@H](C[NH+]3CCOCC3)O2)C1 ZINC000306138405 571041029 /nfs/dbraw/zinc/04/10/29/571041029.db2.gz RWWZSWKCZUVEKH-FUHWJXTLSA-N 2 2 367.515 1.534 40 0 FDABLP CO[C@H](C)[C@@H](C)[NH2+]Cc1ccccc1S(=O)(=O)N1CC[NH+](C)CC1 ZINC000268958301 571143231 /nfs/dbraw/zinc/14/32/31/571143231.db2.gz XBJFEHCEGQOUBG-HUUCEWRRSA-N 2 2 355.504 1.136 40 0 FDABLP Cc1cn(-c2cc[nH+]c([C@@H]3CCCN(S(=O)(=O)N(C)C)C3)c2)c(C)[nH+]1 ZINC000257277214 571157234 /nfs/dbraw/zinc/15/72/34/571157234.db2.gz NWWWOVVRGXUAGD-OAHLLOKOSA-N 2 2 363.487 1.870 40 0 FDABLP CNC(=O)c1cnn2c1nccc2[C@@H]1CCC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000257307020 571160134 /nfs/dbraw/zinc/16/01/34/571160134.db2.gz SWXFTHWNFWALNC-CQSZACIVSA-N 2 2 356.474 1.363 40 0 FDABLP CNC(=O)c1cnn2c1nccc2[C@@H]1CCC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000257307020 571160136 /nfs/dbraw/zinc/16/01/36/571160136.db2.gz SWXFTHWNFWALNC-CQSZACIVSA-N 2 2 356.474 1.363 40 0 FDABLP Cn1c[nH+]cc1C[NH+]1CCC2(CC1)C[C@@H](NC(=O)c1ccco1)CCO2 ZINC000108527781 209288115 /nfs/dbraw/zinc/28/81/15/209288115.db2.gz XRKKTNWPMICATO-HNNXBMFYSA-N 2 2 358.442 1.957 40 0 FDABLP CN(CC1(O)CCN(c2cc[nH+]c3ccncc32)CC1)C(=O)CCCC[NH3+] ZINC000257244891 132295299 /nfs/dbraw/zinc/29/52/99/132295299.db2.gz INFVITIPMCUBFX-UHFFFAOYSA-N 2 2 371.485 1.549 40 0 FDABLP NC(=O)Cn1cc(C[NH+]2CCC([NH+]3CCOCC3)CC2)c2ccccc21 ZINC000019376105 518810326 /nfs/dbraw/zinc/81/03/26/518810326.db2.gz YEOPIZUSBSVFTN-UHFFFAOYSA-N 2 2 356.470 1.423 40 0 FDABLP O=S1(=O)CC[C@@H]([NH2+]CCn2c[nH+]cc2-c2ccc3c(c2)CCCO3)C1 ZINC000019720004 518832471 /nfs/dbraw/zinc/83/24/71/518832471.db2.gz RFBSMULGJJIUDD-MRXNPFEDSA-N 2 2 361.467 1.652 40 0 FDABLP CN(C)C(=O)C[N@@H+]1C[C@@H]2C[NH+]([C@H]3CCOC3)CC[C@]2(c2ccccc2)C1 ZINC000107805656 209280637 /nfs/dbraw/zinc/28/06/37/209280637.db2.gz TVENHBIRKTWDRL-SVFBPWRDSA-N 2 2 357.498 1.439 40 0 FDABLP CN(C)C(=O)C[N@H+]1C[C@@H]2C[NH+]([C@H]3CCOC3)CC[C@]2(c2ccccc2)C1 ZINC000107805656 209280639 /nfs/dbraw/zinc/28/06/39/209280639.db2.gz TVENHBIRKTWDRL-SVFBPWRDSA-N 2 2 357.498 1.439 40 0 FDABLP CN(C)C(=O)C[NH+]1C[C@@H]2C[N@@H+]([C@H]3CCOC3)CC[C@]2(c2ccccc2)C1 ZINC000107805656 209280642 /nfs/dbraw/zinc/28/06/42/209280642.db2.gz TVENHBIRKTWDRL-SVFBPWRDSA-N 2 2 357.498 1.439 40 0 FDABLP CN(C)C(=O)C[NH+]1C[C@@H]2C[N@H+]([C@H]3CCOC3)CC[C@]2(c2ccccc2)C1 ZINC000107805656 209280646 /nfs/dbraw/zinc/28/06/46/209280646.db2.gz TVENHBIRKTWDRL-SVFBPWRDSA-N 2 2 357.498 1.439 40 0 FDABLP COc1ncccc1C[NH+]1CCC2(C[C@H]([NH+]3CCN(C)CC3)CO2)CC1 ZINC000096220824 209138408 /nfs/dbraw/zinc/13/84/08/209138408.db2.gz VORFBOUICCWWQS-SFHVURJKSA-N 2 2 360.502 1.461 40 0 FDABLP COc1ncccc1C[NH+]1CCC2(C[C@H](N3CC[NH+](C)CC3)CO2)CC1 ZINC000096220824 209138410 /nfs/dbraw/zinc/13/84/10/209138410.db2.gz VORFBOUICCWWQS-SFHVURJKSA-N 2 2 360.502 1.461 40 0 FDABLP C[NH+]1CCN(C(=O)[C@H]2CC[C@@H]3[C@@H](CC[N@@H+]3Cc3ccc(F)cc3)O2)CC1 ZINC000096083183 209109632 /nfs/dbraw/zinc/10/96/32/209109632.db2.gz WIZMIRAJYJBAOE-GUDVDZBRSA-N 2 2 361.461 1.722 40 0 FDABLP C[NH+]1CCN(C(=O)[C@H]2CC[C@@H]3[C@@H](CC[N@H+]3Cc3ccc(F)cc3)O2)CC1 ZINC000096083183 209109636 /nfs/dbraw/zinc/10/96/36/209109636.db2.gz WIZMIRAJYJBAOE-GUDVDZBRSA-N 2 2 361.461 1.722 40 0 FDABLP CCn1nnc2c1[C@H](COCC[NH+](C)C)C[N@H+](Cc1ccc(OC)cc1)C2 ZINC000096060867 209104588 /nfs/dbraw/zinc/10/45/88/209104588.db2.gz JRAUDYKDBNSAIS-KRWDZBQOSA-N 2 2 373.501 1.984 40 0 FDABLP CCn1nnc2c1[C@H](COCC[NH+](C)C)C[N@@H+](Cc1ccc(OC)cc1)C2 ZINC000096060867 209104591 /nfs/dbraw/zinc/10/45/91/209104591.db2.gz JRAUDYKDBNSAIS-KRWDZBQOSA-N 2 2 373.501 1.984 40 0 FDABLP Cn1cc(C[C@H]2[C@H](N3CC[NH+](C)CC3)CC[N@@H+]2Cc2nccs2)cn1 ZINC000096061729 209103649 /nfs/dbraw/zinc/10/36/49/209103649.db2.gz KXTYPVZXCOMHDW-SJORKVTESA-N 2 2 360.531 1.310 40 0 FDABLP Cn1cc(C[C@H]2[C@H](N3CC[NH+](C)CC3)CC[N@H+]2Cc2nccs2)cn1 ZINC000096061729 209103657 /nfs/dbraw/zinc/10/36/57/209103657.db2.gz KXTYPVZXCOMHDW-SJORKVTESA-N 2 2 360.531 1.310 40 0 FDABLP Cc1cc(N2CC[NH+](CCN3CCCC3=O)CC2)cc([C@H]2CCC[NH2+]2)[nH+]1 ZINC000019697977 518826619 /nfs/dbraw/zinc/82/66/19/518826619.db2.gz NMNUNVZFBIOOKI-GOSISDBHSA-N 3 2 357.502 1.559 40 0 FDABLP c1ccc2c(c1)OC[C@H](C[NH2+]CC[NH2+]C[C@H]1COc3ccccc3O1)O2 ZINC000019365899 518809860 /nfs/dbraw/zinc/80/98/60/518809860.db2.gz ZCQSZDBAOLKWID-HOTGVXAUSA-N 2 2 356.422 1.846 40 0 FDABLP CNC(=O)[C@@H](c1ccccc1)[N@@H+]1CCC[C@H]1C(=O)NCC[NH+]1CCCC1 ZINC000096112986 525133845 /nfs/dbraw/zinc/13/38/45/525133845.db2.gz GGDGGGNIZAUJLF-ZWKOTPCHSA-N 2 2 358.486 1.150 40 0 biogenic,in-vitro FDABLP CNC(=O)[C@@H](c1ccccc1)[N@H+]1CCC[C@H]1C(=O)NCC[NH+]1CCCC1 ZINC000096112986 525133849 /nfs/dbraw/zinc/13/38/49/525133849.db2.gz GGDGGGNIZAUJLF-ZWKOTPCHSA-N 2 2 358.486 1.150 40 0 biogenic,in-vitro FDABLP O=C(COC[C@@H]1C[N@H+](CC2CCOCC2)Cc2c[nH+]cn21)N1CCCC1 ZINC000247727112 537146471 /nfs/dbraw/zinc/14/64/71/537146471.db2.gz DENGZKPMGGOVLJ-SFHVURJKSA-N 2 2 362.474 1.305 40 0 FDABLP O=C(COC[C@@H]1C[N@@H+](CC2CCOCC2)Cc2c[nH+]cn21)N1CCCC1 ZINC000247727112 537146474 /nfs/dbraw/zinc/14/64/74/537146474.db2.gz DENGZKPMGGOVLJ-SFHVURJKSA-N 2 2 362.474 1.305 40 0 FDABLP C[NH+](C)CCCNc1nc(NC[C@H]2CCCO2)cc(-c2cccnc2)[nH+]1 ZINC000328996695 571106541 /nfs/dbraw/zinc/10/65/41/571106541.db2.gz JLUVMUSSNHZPDU-MRXNPFEDSA-N 2 2 356.474 1.337 40 0 FDABLP C[NH+]1CCN(C(=O)c2[nH]nc3c2C[N@H+](Cc2ccc(F)cc2)CC3)CC1 ZINC000096187424 209132267 /nfs/dbraw/zinc/13/22/67/209132267.db2.gz JKRIXLRTUDGPPQ-UHFFFAOYSA-N 2 2 357.433 1.495 40 0 FDABLP C[NH+]1CCN(C(=O)c2[nH]nc3c2C[N@@H+](Cc2ccc(F)cc2)CC3)CC1 ZINC000096187424 209132270 /nfs/dbraw/zinc/13/22/70/209132270.db2.gz JKRIXLRTUDGPPQ-UHFFFAOYSA-N 2 2 357.433 1.495 40 0 FDABLP COc1cc(N2C(=[NH2+])NC(=[NH2+])NC2(C)C)cc(Br)c1OC ZINC000006239739 518365630 /nfs/dbraw/zinc/36/56/30/518365630.db2.gz GNOBFSBTJWTFGP-UHFFFAOYSA-N 2 2 356.224 1.652 40 0 FDABLP CCOC(=O)C1=C(O)NC(N2CC[NH+](CC)CC2)=[NH+][C@@H]1c1cccc(C)c1 ZINC000020801342 521093019 /nfs/dbraw/zinc/09/30/19/521093019.db2.gz ANIUPIGGXJOUQI-DLBZAZTESA-N 2 2 372.469 1.339 40 0 FDABLP CCCc1ccc(C[NH+]2CCC([N@H+](C)[C@@H]3COC[C@@H](O)[C@H]3O)CC2)o1 ZINC000585291153 551580320 /nfs/dbraw/zinc/58/03/20/551580320.db2.gz LLIRREABUUQENV-QRVBRYPASA-N 2 2 352.475 1.249 40 0 FDABLP CCCc1ccc(C[NH+]2CCC([N@@H+](C)[C@@H]3COC[C@@H](O)[C@H]3O)CC2)o1 ZINC000585291153 551580321 /nfs/dbraw/zinc/58/03/21/551580321.db2.gz LLIRREABUUQENV-QRVBRYPASA-N 2 2 352.475 1.249 40 0 FDABLP C[N@H+](C1CC[NH+](Cc2ccc3cc[nH]c3c2)CC1)[C@@H]1COC[C@@H](O)[C@H]1O ZINC000585291656 551580472 /nfs/dbraw/zinc/58/04/72/551580472.db2.gz REPAEECUCMYQKF-AQNXPRMDSA-N 2 2 359.470 1.185 40 0 FDABLP C[N@@H+](C1CC[NH+](Cc2ccc3cc[nH]c3c2)CC1)[C@@H]1COC[C@@H](O)[C@H]1O ZINC000585291656 551580473 /nfs/dbraw/zinc/58/04/73/551580473.db2.gz REPAEECUCMYQKF-AQNXPRMDSA-N 2 2 359.470 1.185 40 0 FDABLP Cc1ncsc1C[N@@H+]1CCOC[C@@]2(CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC000306138406 571040717 /nfs/dbraw/zinc/04/07/17/571040717.db2.gz RWWZSWKCZUVEKH-SJLPKXTDSA-N 2 2 367.515 1.534 40 0 FDABLP Cc1ncsc1C[N@H+]1CCOC[C@@]2(CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC000306138406 571040721 /nfs/dbraw/zinc/04/07/21/571040721.db2.gz RWWZSWKCZUVEKH-SJLPKXTDSA-N 2 2 367.515 1.534 40 0 FDABLP Cc1cc(N2CC[C@@](O)(CN(C)C(=O)CCCC[NH3+])C2)c2cnccc2[nH+]1 ZINC000257339813 210003391 /nfs/dbraw/zinc/00/33/91/210003391.db2.gz ZDIHQZLEPYOQRT-HXUWFJFHSA-N 2 2 371.485 1.467 40 0 FDABLP CCC[NH+]1CCC([N@@H+]2C[C@@H]3CN(S(=O)(=O)c4ccccc4)C[C@@H]32)CC1 ZINC000096080470 209109985 /nfs/dbraw/zinc/10/99/85/209109985.db2.gz YRNPAVHBFNXETG-LPHOPBHVSA-N 2 2 363.527 1.866 40 0 FDABLP CCC[NH+]1CCC([N@H+]2C[C@@H]3CN(S(=O)(=O)c4ccccc4)C[C@@H]32)CC1 ZINC000096080470 209109986 /nfs/dbraw/zinc/10/99/86/209109986.db2.gz YRNPAVHBFNXETG-LPHOPBHVSA-N 2 2 363.527 1.866 40 0 FDABLP O=S1(=O)CC[C@@H]([NH2+]CCn2c[nH+]cc2-c2c[nH]nc2-c2ccccc2)C1 ZINC000019719566 518833050 /nfs/dbraw/zinc/83/30/50/518833050.db2.gz CJTKXIXAOQSAAS-OAHLLOKOSA-N 2 2 371.466 1.717 40 0 FDABLP CCc1[nH+]ccn1-c1cccc([C@H]2CCC[N@@H+]2CC(=O)N2CCOCC2)n1 ZINC000072379152 522229232 /nfs/dbraw/zinc/22/92/32/522229232.db2.gz DWLXWPKYNYKFGP-QGZVFWFLSA-N 2 2 369.469 1.825 40 0 FDABLP CCc1[nH+]ccn1-c1cccc([C@H]2CCC[N@H+]2CC(=O)N2CCOCC2)n1 ZINC000072379152 522229245 /nfs/dbraw/zinc/22/92/45/522229245.db2.gz DWLXWPKYNYKFGP-QGZVFWFLSA-N 2 2 369.469 1.825 40 0 FDABLP CCOC(=O)C1=C(O)NC(N2CC[NH+](CC)CC2)=[NH+][C@@H]1c1cccc(C)c1 ZINC000054112905 523573164 /nfs/dbraw/zinc/57/31/64/523573164.db2.gz ANIUPIGGXJOUQI-IAGOWNOFSA-N 2 2 372.469 1.339 40 0 FDABLP CC[C@@H](C)Nc1nc(NCCN2CC[NH+](C)CC2)cc(-c2ccccc2)[nH+]1 ZINC000329008143 571107078 /nfs/dbraw/zinc/10/70/78/571107078.db2.gz LQCQETHHABRQSP-QGZVFWFLSA-N 2 2 368.529 1.857 40 0 FDABLP Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC000252017666 571130661 /nfs/dbraw/zinc/13/06/61/571130661.db2.gz WJISVVKJHQHOTC-IEBWSBKVSA-N 2 2 365.474 1.374 40 0 FDABLP Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC000252017666 571130662 /nfs/dbraw/zinc/13/06/62/571130662.db2.gz WJISVVKJHQHOTC-IEBWSBKVSA-N 2 2 365.474 1.374 40 0 FDABLP Nc1cc(CC[C@@H]2C[N@H+](Cc3cccc(OCCO)c3)CCO2)cc[nH+]1 ZINC000257239688 571153347 /nfs/dbraw/zinc/15/33/47/571153347.db2.gz HQIXEXPAULPNAU-LJQANCHMSA-N 2 2 357.454 1.869 40 0 FDABLP Nc1cc(CC[C@@H]2C[N@@H+](Cc3cccc(OCCO)c3)CCO2)cc[nH+]1 ZINC000257239688 571153348 /nfs/dbraw/zinc/15/33/48/571153348.db2.gz HQIXEXPAULPNAU-LJQANCHMSA-N 2 2 357.454 1.869 40 0 FDABLP Cc1[nH+]c2ccccn2c1CC(=O)N[C@@H]1CCC[C@@H]([NH+]2CCCC2)[C@@H]1O ZINC000257344475 210004123 /nfs/dbraw/zinc/00/41/23/210004123.db2.gz ZXJRBHUDRNVFCS-JXXFODFXSA-N 2 2 356.470 1.679 40 0 FDABLP COc1ncccc1C[NH+]1CCC2(C[C@@H]([NH+]3CCN(C)CC3)CO2)CC1 ZINC000096220823 209137153 /nfs/dbraw/zinc/13/71/53/209137153.db2.gz VORFBOUICCWWQS-GOSISDBHSA-N 2 2 360.502 1.461 40 0 FDABLP COc1ncccc1C[NH+]1CCC2(C[C@@H](N3CC[NH+](C)CC3)CO2)CC1 ZINC000096220823 209137161 /nfs/dbraw/zinc/13/71/61/209137161.db2.gz VORFBOUICCWWQS-GOSISDBHSA-N 2 2 360.502 1.461 40 0 FDABLP Cc1cc(N2CCC(O)(CN(C)C(=O)CCC[NH3+])CC2)c2cnccc2[nH+]1 ZINC000257266155 132295885 /nfs/dbraw/zinc/29/58/85/132295885.db2.gz MBUUALKPHJUYIZ-UHFFFAOYSA-N 2 2 371.485 1.467 40 0 FDABLP O=C(C[NH+]1Cc2ccccc2C1)N1CCc2nc([C@@H]3CC[NH2+]C3)ncc2C1 ZINC000019375538 518810739 /nfs/dbraw/zinc/81/07/39/518810739.db2.gz HUAZASMIMIGCDI-OAHLLOKOSA-N 2 2 363.465 1.454 40 0 FDABLP COC(=O)c1ccc2c(c1)CCN(c1cc(C)[nH+]c(NCC[NH+](C)C)n1)C2 ZINC000329022637 571130985 /nfs/dbraw/zinc/13/09/85/571130985.db2.gz OODJVKBJCLUFHL-UHFFFAOYSA-N 2 2 369.469 2.108 40 0 FDABLP COc1ncc(C[N@@H+]2CCC[C@H](c3cncc(-n4cc[nH+]c4)n3)C2)cn1 ZINC000257342093 210004908 /nfs/dbraw/zinc/00/49/08/210004908.db2.gz ZNBVLPMSBJHJPA-HNNXBMFYSA-N 2 2 351.414 1.841 40 0 FDABLP COc1ncc(C[N@H+]2CCC[C@H](c3cncc(-n4cc[nH+]c4)n3)C2)cn1 ZINC000257342093 210004910 /nfs/dbraw/zinc/00/49/10/210004910.db2.gz ZNBVLPMSBJHJPA-HNNXBMFYSA-N 2 2 351.414 1.841 40 0 FDABLP c1csc(C[N@H+]2CCOC[C@]3(CC[C@H](C[NH+]4CCOCC4)O3)C2)c1 ZINC000096052351 209103073 /nfs/dbraw/zinc/10/30/73/209103073.db2.gz VLOPLKIFDCEXIE-AEFFLSMTSA-N 2 2 352.500 1.830 40 0 FDABLP c1csc(C[N@@H+]2CCOC[C@]3(CC[C@H](C[NH+]4CCOCC4)O3)C2)c1 ZINC000096052351 209103075 /nfs/dbraw/zinc/10/30/75/209103075.db2.gz VLOPLKIFDCEXIE-AEFFLSMTSA-N 2 2 352.500 1.830 40 0 FDABLP C[N@@H+]1CCC[C@H]1c1nc(C(=O)NCCC[NH+]2CCOCC2)c2ccccn21 ZINC000306128896 537602536 /nfs/dbraw/zinc/60/25/36/537602536.db2.gz HNUYPIWCMMLDHR-KRWDZBQOSA-N 2 2 371.485 1.553 40 0 FDABLP C[N@H+]1CCC[C@H]1c1nc(C(=O)NCCC[NH+]2CCOCC2)c2ccccn21 ZINC000306128896 537602542 /nfs/dbraw/zinc/60/25/42/537602542.db2.gz HNUYPIWCMMLDHR-KRWDZBQOSA-N 2 2 371.485 1.553 40 0 FDABLP COc1ccc(C[N@@H+]2C[C@@H]3C[NH+](Cc4cnn(C)c4)CCO[C@@H]3C2)cc1 ZINC000096108101 209112609 /nfs/dbraw/zinc/11/26/09/209112609.db2.gz KOZYVPMRXHAROM-AZUAARDMSA-N 2 2 356.470 1.762 40 0 FDABLP COc1ccc(C[N@H+]2C[C@@H]3C[NH+](Cc4cnn(C)c4)CCO[C@@H]3C2)cc1 ZINC000096108101 209112613 /nfs/dbraw/zinc/11/26/13/209112613.db2.gz KOZYVPMRXHAROM-AZUAARDMSA-N 2 2 356.470 1.762 40 0 FDABLP COc1ccc(C[NH+]2C[C@@H]3C[N@H+](Cc4cnn(C)c4)CCO[C@@H]3C2)cc1 ZINC000096108101 209112617 /nfs/dbraw/zinc/11/26/17/209112617.db2.gz KOZYVPMRXHAROM-AZUAARDMSA-N 2 2 356.470 1.762 40 0 FDABLP COc1ccc(C[NH+]2C[C@@H]3C[N@@H+](Cc4cnn(C)c4)CCO[C@@H]3C2)cc1 ZINC000096108101 209112620 /nfs/dbraw/zinc/11/26/20/209112620.db2.gz KOZYVPMRXHAROM-AZUAARDMSA-N 2 2 356.470 1.762 40 0 FDABLP Cc1cccc(C[N@@H+]2C[C@@H]3[C@H](C2)OCCN3c2cc[nH+]c(N(C)C)n2)c1 ZINC000096248881 132224298 /nfs/dbraw/zinc/22/42/98/132224298.db2.gz DBYKRLYSUIPCOM-MSOLQXFVSA-N 2 2 353.470 1.941 40 0 FDABLP Cc1cccc(C[N@H+]2C[C@@H]3[C@H](C2)OCCN3c2cc[nH+]c(N(C)C)n2)c1 ZINC000096248881 132224299 /nfs/dbraw/zinc/22/42/99/132224299.db2.gz DBYKRLYSUIPCOM-MSOLQXFVSA-N 2 2 353.470 1.941 40 0 FDABLP CCc1[nH]c(C[N@@H+]2CC[C@@H](Oc3cccnc3)[C@H](CC(N)=O)C2)c(C)[nH+]1 ZINC000585276288 551576876 /nfs/dbraw/zinc/57/68/76/551576876.db2.gz HUQZEGACEKHKFT-RHSMWYFYSA-N 2 2 357.458 1.820 40 0 FDABLP CCc1[nH]c(C[N@H+]2CC[C@@H](Oc3cccnc3)[C@H](CC(N)=O)C2)c(C)[nH+]1 ZINC000585276288 551576878 /nfs/dbraw/zinc/57/68/78/551576878.db2.gz HUQZEGACEKHKFT-RHSMWYFYSA-N 2 2 357.458 1.820 40 0 FDABLP CC[C@H](C)Nc1nc(NCCN2CC[NH+](C)CC2)cc(-c2cccnc2)[nH+]1 ZINC000329012100 571107118 /nfs/dbraw/zinc/10/71/18/571107118.db2.gz MJKHTPIJMVQYNR-INIZCTEOSA-N 2 2 369.517 1.252 40 0 FDABLP C[NH+](C)CCCNc1nc(NC[C@@H]2CCCO2)cc(-c2ccncc2)[nH+]1 ZINC000328996565 210129833 /nfs/dbraw/zinc/12/98/33/210129833.db2.gz JKHUIXNMBXFWSQ-INIZCTEOSA-N 2 2 356.474 1.337 40 0 FDABLP C[NH+](C)CCCNc1nc(NCc2cccnc2)cc(-c2ccncc2)[nH+]1 ZINC000328997870 210129220 /nfs/dbraw/zinc/12/92/20/210129220.db2.gz JPYDLIPHAHFPCR-UHFFFAOYSA-N 2 2 363.469 1.753 40 0 FDABLP C[C@H](CO)Nc1nc(NCCC2CC[NH2+]CC2)cc(-c2ccccc2)[nH+]1 ZINC000328956994 210124255 /nfs/dbraw/zinc/12/42/55/210124255.db2.gz AIGQYZDJAFELEG-OAHLLOKOSA-N 2 2 355.486 1.582 40 0 FDABLP Cc1cc(N2CCC[C@](O)(CNC(=O)CCCC[NH3+])C2)c2cnccc2[nH+]1 ZINC000257273185 132296370 /nfs/dbraw/zinc/29/63/70/132296370.db2.gz NFOVUJQLJVBBJW-FQEVSTJZSA-N 2 2 371.485 1.515 40 0 FDABLP COc1cc(C[NH2+]CC[NH2+]C[C@H](C)O)ccc1OCC(=O)NC(C)(C)C ZINC000022075864 263384835 /nfs/dbraw/zinc/38/48/35/263384835.db2.gz SQSHLGVNDNAQLV-AWEZNQCLSA-N 2 2 367.490 1.049 40 0 FDABLP COc1cc(C[NH2+]CC[NH2+]C[C@@H](C)O)ccc1OCC(=O)NC(C)(C)C ZINC000022075862 263385464 /nfs/dbraw/zinc/38/54/64/263385464.db2.gz SQSHLGVNDNAQLV-CQSZACIVSA-N 2 2 367.490 1.049 40 0 FDABLP CC(=O)Nc1ccc(C[NH+]2CCC3(Cc4c([nH+]c(N)nc4N)O3)CC2)cc1 ZINC000257314681 526971712 /nfs/dbraw/zinc/97/17/12/526971712.db2.gz UYAPWGAMWWRABK-UHFFFAOYSA-N 2 2 368.441 1.569 40 0 FDABLP CC(=O)Nc1ccc(C[NH+]2CCC3(Cc4c(nc(N)[nH+]c4N)O3)CC2)cc1 ZINC000257314681 526971720 /nfs/dbraw/zinc/97/17/20/526971720.db2.gz UYAPWGAMWWRABK-UHFFFAOYSA-N 2 2 368.441 1.569 40 0 FDABLP C[NH2+]CCOc1cccc(C(=O)N(C)[C@@H]2CCC[C@@H](n3cc[nH+]c3)[C@@H]2O)c1 ZINC000257292658 529979327 /nfs/dbraw/zinc/97/93/27/529979327.db2.gz QMMCIFXHHSVDPU-GUDVDZBRSA-N 2 2 372.469 1.708 40 0 FDABLP CC[C@H](C)Nc1nc(NCC[NH+]2CCOCC2)cc(-c2ccncc2)[nH+]1 ZINC000329011510 210130623 /nfs/dbraw/zinc/13/06/23/210130623.db2.gz MFZVVOKMGSKRLP-HNNXBMFYSA-N 2 2 356.474 1.337 40 0 FDABLP O=S1(=O)CC[C@H]([NH2+]CCn2c[nH+]cc2-c2cnn(-c3ccccc3)c2)C1 ZINC000019719558 211251612 /nfs/dbraw/zinc/25/16/12/211251612.db2.gz FZYYYLAZTKZZHZ-INIZCTEOSA-N 2 2 371.466 1.513 40 0 FDABLP O=C(C[NH+]1Cc2ccccc2C1)N1CCC[C@@H]1c1ncc2c(n1)CC[NH2+]C2 ZINC000019375536 211220100 /nfs/dbraw/zinc/22/01/00/211220100.db2.gz WGZFAJDAJKLDQE-LJQANCHMSA-N 2 2 363.465 1.802 40 0 FDABLP C[NH+]1CCC([N@H+]2C[C@H]3C[C@H](Cn4c(=O)ccc(-c5cncnc5)c43)C2)CC1 ZINC000020503464 220330763 /nfs/dbraw/zinc/33/07/63/220330763.db2.gz AGUVPCOYPRWWKC-JKSUJKDBSA-N 2 2 365.481 1.819 40 0 biogenic,in-vitro FDABLP C[NH+]1CCC([N@@H+]2C[C@H]3C[C@H](Cn4c(=O)ccc(-c5cncnc5)c43)C2)CC1 ZINC000020503464 220330766 /nfs/dbraw/zinc/33/07/66/220330766.db2.gz AGUVPCOYPRWWKC-JKSUJKDBSA-N 2 2 365.481 1.819 40 0 biogenic,in-vitro FDABLP O=C1NCC[N@H+](CC2CC2)C12CC[NH+](Cc1ccc3c(c1)OCO3)CC2 ZINC000096230192 222090982 /nfs/dbraw/zinc/09/09/82/222090982.db2.gz QPADJKNGDMILHI-UHFFFAOYSA-N 2 2 357.454 1.592 40 0 FDABLP O=C1NCC[N@@H+](CC2CC2)C12CC[NH+](Cc1ccc3c(c1)OCO3)CC2 ZINC000096230192 222090984 /nfs/dbraw/zinc/09/09/84/222090984.db2.gz QPADJKNGDMILHI-UHFFFAOYSA-N 2 2 357.454 1.592 40 0 FDABLP COc1ccc([C@@H]2[NH+]=C(N3CC[NH+](C)CC3)Nc3nc(C)cc(=O)n32)cc1 ZINC000104280014 222354451 /nfs/dbraw/zinc/35/44/51/222354451.db2.gz RPXWDIQHNBQPMZ-QGZVFWFLSA-N 2 2 368.441 1.136 40 0 FDABLP CCOC(=O)C1=C(O)NC(N2CC[NH+](CC)CC2)=[NH+][C@H]1c1ccc(C)cc1 ZINC000014162960 518678611 /nfs/dbraw/zinc/67/86/11/518678611.db2.gz FPDWPUCVTBJNHV-IRXDYDNUSA-N 2 2 372.469 1.339 40 0 FDABLP CCOC(=O)C1=C(O)NC(N2CC[NH+](CC)CC2)=[NH+][C@H]1c1ccc(C)cc1 ZINC000014162958 518678852 /nfs/dbraw/zinc/67/88/52/518678852.db2.gz FPDWPUCVTBJNHV-SJORKVTESA-N 2 2 372.469 1.339 40 0 FDABLP Cc1[nH+]ccn1C[C@@]1(O)CN(C(=O)CCCc2ccccc2)CC[N@@H+](C)C1 ZINC000072354525 522222597 /nfs/dbraw/zinc/22/25/97/522222597.db2.gz YWGQZVULCZOHOV-OAQYLSRUSA-N 2 2 370.497 1.720 40 0 FDABLP Cc1[nH+]ccn1C[C@@]1(O)CN(C(=O)CCCc2ccccc2)CC[N@H+](C)C1 ZINC000072354525 522222606 /nfs/dbraw/zinc/22/26/06/522222606.db2.gz YWGQZVULCZOHOV-OAQYLSRUSA-N 2 2 370.497 1.720 40 0 FDABLP Cc1[nH+]ccn1-c1cccc([C@@H]2CCC[N@H+](CC(=O)N3CCOCC3)C2)n1 ZINC000072379153 522229809 /nfs/dbraw/zinc/22/98/09/522229809.db2.gz HGIGTSYYBHTOBD-QGZVFWFLSA-N 2 2 369.469 1.614 40 0 FDABLP Cc1[nH+]ccn1-c1cccc([C@@H]2CCC[N@@H+](CC(=O)N3CCOCC3)C2)n1 ZINC000072379153 522229817 /nfs/dbraw/zinc/22/98/17/522229817.db2.gz HGIGTSYYBHTOBD-QGZVFWFLSA-N 2 2 369.469 1.614 40 0 FDABLP CCc1ccc(C[N@H+]2C[C@@H]3[C@H](C2)OCCN3c2cc[nH+]c(N(C)C)n2)o1 ZINC000096248872 536180380 /nfs/dbraw/zinc/18/03/80/536180380.db2.gz SCGBURVBGHDKKL-SJORKVTESA-N 2 2 357.458 1.788 40 0 FDABLP CCc1ccc(C[N@@H+]2C[C@@H]3[C@H](C2)OCCN3c2cc[nH+]c(N(C)C)n2)o1 ZINC000096248872 536180384 /nfs/dbraw/zinc/18/03/84/536180384.db2.gz SCGBURVBGHDKKL-SJORKVTESA-N 2 2 357.458 1.788 40 0 FDABLP O[C@@H]1[C@@H]([NH+]2CCCC2)[C@@H]2OC[C@@H](O2)[C@H]1[NH2+]Cc1cnc2ccccc2c1 ZINC000012489856 220001054 /nfs/dbraw/zinc/00/10/54/220001054.db2.gz BEXYDRXBKPJMHE-LTFPLMDUSA-N 2 2 355.438 1.273 40 0 biogenic,in-vitro FDABLP C[NH+](C)Cc1cc(-c2ccccc2F)nn1CCNC(=O)Cn1cc[nH+]c1 ZINC000019583470 211238011 /nfs/dbraw/zinc/23/80/11/211238011.db2.gz PSTDBOBQLYCMLI-UHFFFAOYSA-N 2 2 370.432 1.764 40 0 FDABLP Cc1cc(=O)n2c(n1)NC(N1CC[NH+](C)CC1)=[NH+][C@H]2c1ccccc1Cl ZINC000104280078 222353648 /nfs/dbraw/zinc/35/36/48/222353648.db2.gz UGZGGHQIYVVOHJ-MRXNPFEDSA-N 2 2 372.860 1.781 40 0 FDABLP CC(C)c1[nH+]ccn1CCC(=O)NC[C@]1(O)CCN(c2cccc[nH+]2)C1 ZINC000257209486 528371226 /nfs/dbraw/zinc/37/12/26/528371226.db2.gz BQPAZZCACQZVGC-LJQANCHMSA-N 2 2 357.458 1.549 40 0 FDABLP CCN1CCc2cc(-c3c[nH+]cn3CC[NH2+][C@H]3CCS(=O)(=O)C3)ccc21 ZINC000019719392 211250492 /nfs/dbraw/zinc/25/04/92/211250492.db2.gz OOQLGFSXKXFUNI-KRWDZBQOSA-N 2 2 374.510 1.709 40 0 FDABLP COc1ccc(C[N@H+]2Cc3nnn(C)c3[C@@H](COCC[NH+](C)C)C2)cc1 ZINC000096060670 222007352 /nfs/dbraw/zinc/00/73/52/222007352.db2.gz GKWAYGYGLAJIHR-MRXNPFEDSA-N 2 2 359.474 1.501 40 0 FDABLP COc1ccc(C[N@@H+]2Cc3nnn(C)c3[C@@H](COCC[NH+](C)C)C2)cc1 ZINC000096060670 222007355 /nfs/dbraw/zinc/00/73/55/222007355.db2.gz GKWAYGYGLAJIHR-MRXNPFEDSA-N 2 2 359.474 1.501 40 0 FDABLP Cc1[nH+]ccn1-c1cncc([C@@H]2CCC[N@H+](CC(=O)N3CCOCC3)C2)n1 ZINC000072355543 522226030 /nfs/dbraw/zinc/22/60/30/522226030.db2.gz FYDPERZXNRSNLQ-MRXNPFEDSA-N 2 2 370.457 1.009 40 0 FDABLP Cc1[nH+]ccn1-c1cncc([C@@H]2CCC[N@@H+](CC(=O)N3CCOCC3)C2)n1 ZINC000072355543 522226044 /nfs/dbraw/zinc/22/60/44/522226044.db2.gz FYDPERZXNRSNLQ-MRXNPFEDSA-N 2 2 370.457 1.009 40 0 FDABLP c1ccc(C[N@@H+]2C[C@@H]3COCCN3C3(C[NH+](CC4CCOCC4)C3)C2)cc1 ZINC000604381759 553870088 /nfs/dbraw/zinc/87/00/88/553870088.db2.gz NDNNPPVVLFUNNI-OAQYLSRUSA-N 2 2 371.525 1.684 40 0 biogenic,in-vitro FDABLP c1ccc(C[N@H+]2C[C@@H]3COCCN3C3(C[NH+](CC4CCOCC4)C3)C2)cc1 ZINC000604381759 553870089 /nfs/dbraw/zinc/87/00/89/553870089.db2.gz NDNNPPVVLFUNNI-OAQYLSRUSA-N 2 2 371.525 1.684 40 0 biogenic,in-vitro FDABLP C[NH+](C)CCCNc1nc(NCc2ccccn2)cc(-c2cccnc2)[nH+]1 ZINC000328963429 571105028 /nfs/dbraw/zinc/10/50/28/571105028.db2.gz BNKUMOHTCGFTJY-UHFFFAOYSA-N 2 2 363.469 1.753 40 0 FDABLP Cc1cc(N2CCc3cc([C@@H](C)O)ccc3C2)nc(NCC[NH+](C)C)[nH+]1 ZINC000329046119 571130611 /nfs/dbraw/zinc/13/06/11/571130611.db2.gz UAFXFSZMHNXJDK-OAHLLOKOSA-N 2 2 355.486 2.375 40 0 FDABLP c1cc(-c2cc(NCC[NH+]3CCOCC3)nc(NC3CCCC3)[nH+]2)ccn1 ZINC000329065112 210135917 /nfs/dbraw/zinc/13/59/17/210135917.db2.gz XPRSFYFLIXYBII-UHFFFAOYSA-N 2 2 368.485 1.481 40 0 FDABLP C[NH+](C)Cc1cn(-c2ccccc2C(=O)NCCC[NH+]2CCOCC2)cn1 ZINC000257306531 223058911 /nfs/dbraw/zinc/05/89/11/223058911.db2.gz SUQFKYIMKCEDOF-UHFFFAOYSA-N 2 2 371.485 1.386 40 0 FDABLP CN1CC[N@H+](CC2CC2)C2(CC[NH+](Cc3ccc4c(c3)OCO4)CC2)C1=O ZINC000096230283 222091807 /nfs/dbraw/zinc/09/18/07/222091807.db2.gz GRTONTMXJWTTAY-UHFFFAOYSA-N 2 2 371.481 1.934 40 0 FDABLP CN1CC[N@@H+](CC2CC2)C2(CC[NH+](Cc3ccc4c(c3)OCO4)CC2)C1=O ZINC000096230283 222091812 /nfs/dbraw/zinc/09/18/12/222091812.db2.gz GRTONTMXJWTTAY-UHFFFAOYSA-N 2 2 371.481 1.934 40 0 FDABLP CCOc1cc(C[NH2+]CC[NH2+]C[C@@H](C)O)cc(Br)c1OC ZINC000022076082 263385447 /nfs/dbraw/zinc/38/54/47/263385447.db2.gz UYYQUEZDINDIEH-LLVKDONJSA-N 2 2 361.280 1.916 40 0 FDABLP CC(=O)N1CCC[C@@H]1c1cc(N2CC[NH+](CC(=O)N(C)C)CC2)cc(C)[nH+]1 ZINC000019698020 518825713 /nfs/dbraw/zinc/82/57/13/518825713.db2.gz IDQZURJWDMHGDJ-LJQANCHMSA-N 2 2 373.501 1.284 40 0 FDABLP Cc1[nH+]ccn1C[C@]1(O)CN(C(=O)CCc2ccc(F)cc2)CC[N@@H+](C)C1 ZINC000072354532 522222006 /nfs/dbraw/zinc/22/20/06/522222006.db2.gz FOGQHEVHIIYYNZ-FQEVSTJZSA-N 2 2 374.460 1.469 40 0 FDABLP Cc1[nH+]ccn1C[C@]1(O)CN(C(=O)CCc2ccc(F)cc2)CC[N@H+](C)C1 ZINC000072354532 522222013 /nfs/dbraw/zinc/22/20/13/522222013.db2.gz FOGQHEVHIIYYNZ-FQEVSTJZSA-N 2 2 374.460 1.469 40 0 FDABLP CCc1[nH+]ccn1-c1cncc([C@H]2CCC[N@@H+]2CC(=O)N2CCOCC2)n1 ZINC000072378729 522229393 /nfs/dbraw/zinc/22/93/93/522229393.db2.gz QXIUACGNLYDOHC-MRXNPFEDSA-N 2 2 370.457 1.220 40 0 FDABLP CCc1[nH+]ccn1-c1cncc([C@H]2CCC[N@H+]2CC(=O)N2CCOCC2)n1 ZINC000072378729 522229404 /nfs/dbraw/zinc/22/94/04/522229404.db2.gz QXIUACGNLYDOHC-MRXNPFEDSA-N 2 2 370.457 1.220 40 0 FDABLP Cc1ccc(C[N@@H+]2CCOC[C@@]3(CC[C@@H](C[NH+]4CCOCC4)O3)C2)o1 ZINC000248120098 537166542 /nfs/dbraw/zinc/16/65/42/537166542.db2.gz UVGZUIXWZUAXOA-RBUKOAKNSA-N 2 2 350.459 1.670 40 0 FDABLP Cc1ccc(C[N@H+]2CCOC[C@@]3(CC[C@@H](C[NH+]4CCOCC4)O3)C2)o1 ZINC000248120098 537166546 /nfs/dbraw/zinc/16/65/46/537166546.db2.gz UVGZUIXWZUAXOA-RBUKOAKNSA-N 2 2 350.459 1.670 40 0 FDABLP Cc1cccc(COC[C@@H]2Cc3c([nH+]cn3C)CN2C(=O)C[NH+](C)C)n1 ZINC000585094619 551568215 /nfs/dbraw/zinc/56/82/15/551568215.db2.gz FSQCNIJACPUTBB-INIZCTEOSA-N 2 2 357.458 1.155 40 0 FDABLP CN(C(=O)c1cccc(Cn2cc[nH+]c2)c1)[C@@H]1CC[C@@H](n2cc[nH+]c2)[C@@H]1O ZINC000257203550 223016790 /nfs/dbraw/zinc/01/67/90/223016790.db2.gz AQOYYJSKAILLDC-GUDVDZBRSA-N 2 2 365.437 1.965 40 0 FDABLP CNc1cc([C@H]2CCC[N@@H+](C3CCN(S(C)(=O)=O)CC3)C2)cc[nH+]1 ZINC000257322839 533054373 /nfs/dbraw/zinc/05/43/73/533054373.db2.gz WHPRARSLGBENJJ-HNNXBMFYSA-N 2 2 352.504 1.727 40 0 FDABLP CNc1cc([C@H]2CCC[N@H+](C3CCN(S(C)(=O)=O)CC3)C2)cc[nH+]1 ZINC000257322839 533054377 /nfs/dbraw/zinc/05/43/77/533054377.db2.gz WHPRARSLGBENJJ-HNNXBMFYSA-N 2 2 352.504 1.727 40 0 FDABLP Cc1cc(N2CCC[C@@](O)(CNC(=O)CCCC[NH3+])C2)c2cnccc2[nH+]1 ZINC000257273186 132296390 /nfs/dbraw/zinc/29/63/90/132296390.db2.gz NFOVUJQLJVBBJW-HXUWFJFHSA-N 2 2 371.485 1.515 40 0 FDABLP Cn1c[nH+]c2c1[C@@H](C(=O)N1CC[C@@H]([NH+](C)C)C1)N(Cc1ccccc1)CC2 ZINC000107186364 222390740 /nfs/dbraw/zinc/39/07/40/222390740.db2.gz IUSKODJZYAYUPS-XLIONFOSSA-N 2 2 367.497 1.682 40 0 FDABLP Cn1cnc2c1[C@@H](C(=O)N1CC[C@@H]([NH+](C)C)C1)[N@H+](Cc1ccccc1)CC2 ZINC000107186364 222390744 /nfs/dbraw/zinc/39/07/44/222390744.db2.gz IUSKODJZYAYUPS-XLIONFOSSA-N 2 2 367.497 1.682 40 0 FDABLP Cn1cnc2c1[C@@H](C(=O)N1CC[C@@H]([NH+](C)C)C1)[N@@H+](Cc1ccccc1)CC2 ZINC000107186364 222390746 /nfs/dbraw/zinc/39/07/46/222390746.db2.gz IUSKODJZYAYUPS-XLIONFOSSA-N 2 2 367.497 1.682 40 0 FDABLP O=C(C[C@H]1[NH2+][C@@H]2CCCC[C@@H]2NC1=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000012407478 518611565 /nfs/dbraw/zinc/61/15/65/518611565.db2.gz ROUPVEVEXKIBOB-CEXWTWQISA-N 2 2 370.497 1.120 40 0 FDABLP O=C(CCCn1cc[nH+]c1)N1CC[C@@](O)(C[NH+]2CCC(F)(F)CC2)C1 ZINC000257305585 534389699 /nfs/dbraw/zinc/38/96/99/534389699.db2.gz SQQAENVVYGEJCR-MRXNPFEDSA-N 2 2 356.417 1.358 40 0 FDABLP Fc1ccc(C[N@@H+]2CCOC[C@@]3(CC[C@@H](C[NH+]4CCOCC4)O3)C2)cc1 ZINC000247563600 537135051 /nfs/dbraw/zinc/13/50/51/537135051.db2.gz ZNOUBTJUXXVMAQ-VQTJNVASSA-N 2 2 364.461 1.908 40 0 FDABLP Fc1ccc(C[N@H+]2CCOC[C@@]3(CC[C@@H](C[NH+]4CCOCC4)O3)C2)cc1 ZINC000247563600 537135053 /nfs/dbraw/zinc/13/50/53/537135053.db2.gz ZNOUBTJUXXVMAQ-VQTJNVASSA-N 2 2 364.461 1.908 40 0 FDABLP O=C([C@H]1C[N@H+](CC2CCOCC2)Cc2c[nH+]cn21)N1CCC(F)(F)CC1 ZINC000306125600 210049157 /nfs/dbraw/zinc/04/91/57/210049157.db2.gz CVFIDQKKXCEYLV-MRXNPFEDSA-N 2 2 368.428 1.924 40 0 FDABLP O=C([C@H]1C[N@@H+](CC2CCOCC2)Cc2c[nH+]cn21)N1CCC(F)(F)CC1 ZINC000306125600 210049160 /nfs/dbraw/zinc/04/91/60/210049160.db2.gz CVFIDQKKXCEYLV-MRXNPFEDSA-N 2 2 368.428 1.924 40 0 FDABLP CS(=O)(=O)NC[C@H]1C[C@@H]2CC[N@@H+]1C[C@@H]2C[NH+]1CCc2ccccc2C1 ZINC000012602411 291041874 /nfs/dbraw/zinc/04/18/74/291041874.db2.gz QWIUHMXLXYWALV-YTQUADARSA-N 2 2 363.527 1.304 40 0 biogenic,in-vitro FDABLP CS(=O)(=O)NC[C@H]1C[C@@H]2CC[N@H+]1C[C@@H]2C[NH+]1CCc2ccccc2C1 ZINC000012602411 291041876 /nfs/dbraw/zinc/04/18/76/291041876.db2.gz QWIUHMXLXYWALV-YTQUADARSA-N 2 2 363.527 1.304 40 0 biogenic,in-vitro FDABLP CS(=O)(=O)NC[C@H]1C[C@@H]2CC[NH+]1C[C@@H]2C[N@@H+]1CCc2ccccc2C1 ZINC000012602411 291041877 /nfs/dbraw/zinc/04/18/77/291041877.db2.gz QWIUHMXLXYWALV-YTQUADARSA-N 2 2 363.527 1.304 40 0 biogenic,in-vitro FDABLP CS(=O)(=O)NC[C@H]1C[C@@H]2CC[NH+]1C[C@@H]2C[N@H+]1CCc2ccccc2C1 ZINC000012602411 291041878 /nfs/dbraw/zinc/04/18/78/291041878.db2.gz QWIUHMXLXYWALV-YTQUADARSA-N 2 2 363.527 1.304 40 0 biogenic,in-vitro FDABLP CCN(CC)C(=O)C[NH+]1CCN(c2cc(C)[nH+]c([C@H]3CC[NH2+]C3)c2)CC1 ZINC000019739117 518831463 /nfs/dbraw/zinc/83/14/63/518831463.db2.gz CHUWQJJRESBDJU-KRWDZBQOSA-N 3 2 359.518 1.457 40 0 FDABLP COc1cc2c(cc1C[N@@H+]1CCn3c(nnc3[C@@H]3CCC[NH2+]3)C1)OCCO2 ZINC000072373936 522228319 /nfs/dbraw/zinc/22/83/19/522228319.db2.gz ZMONXIQEPHROTP-AWEZNQCLSA-N 2 2 371.441 1.498 40 0 FDABLP COc1cc2c(cc1C[N@H+]1CCn3c(nnc3[C@@H]3CCC[NH2+]3)C1)OCCO2 ZINC000072373936 522228327 /nfs/dbraw/zinc/22/83/27/522228327.db2.gz ZMONXIQEPHROTP-AWEZNQCLSA-N 2 2 371.441 1.498 40 0 FDABLP CO[C@H](C)[C@H](C)[NH2+]Cc1ccccc1S(=O)(=O)N1CC[NH+](C)CC1 ZINC000268958304 571143504 /nfs/dbraw/zinc/14/35/04/571143504.db2.gz XBJFEHCEGQOUBG-LSDHHAIUSA-N 2 2 355.504 1.136 40 0 FDABLP C[NH+](C)CCOc1ccc(C(=O)N2CC[C@H](O)[C@@H](n3cc[nH+]c3)CC2)cc1 ZINC000257264404 223043226 /nfs/dbraw/zinc/04/32/26/223043226.db2.gz LUEYAOUWCSUOAS-OALUTQOASA-N 2 2 372.469 1.662 40 0 FDABLP Cc1[nH+]c2ccccn2c1CC(=O)N(C)[C@@H]1CC[C@@H]([NH+]2CCCC2)[C@@H]1O ZINC000257267574 223044681 /nfs/dbraw/zinc/04/46/81/223044681.db2.gz MHXHBBBSCXVHSR-JXXFODFXSA-N 2 2 356.470 1.631 40 0 FDABLP CCOC(=O)[C@@]12C[N@H+](CCOC)C[C@@H]1C[NH+](Cc1ccccn1)CCC2 ZINC000096055965 222005017 /nfs/dbraw/zinc/00/50/17/222005017.db2.gz HZBAOSWPXMYNOR-PXNSSMCTSA-N 2 2 361.486 1.805 40 0 FDABLP CCOC(=O)[C@@]12C[N@@H+](CCOC)C[C@@H]1C[NH+](Cc1ccccn1)CCC2 ZINC000096055965 222005020 /nfs/dbraw/zinc/00/50/20/222005020.db2.gz HZBAOSWPXMYNOR-PXNSSMCTSA-N 2 2 361.486 1.805 40 0 FDABLP CCOC(=O)[C@@]12C[NH+](CCOC)C[C@@H]1C[N@H+](Cc1ccccn1)CCC2 ZINC000096055965 222005022 /nfs/dbraw/zinc/00/50/22/222005022.db2.gz HZBAOSWPXMYNOR-PXNSSMCTSA-N 2 2 361.486 1.805 40 0 FDABLP CCOC(=O)[C@@]12C[NH+](CCOC)C[C@@H]1C[N@@H+](Cc1ccccn1)CCC2 ZINC000096055965 222005025 /nfs/dbraw/zinc/00/50/25/222005025.db2.gz HZBAOSWPXMYNOR-PXNSSMCTSA-N 2 2 361.486 1.805 40 0 FDABLP Cc1[nH+]ccn1-c1cccc([C@H]2CCC[N@H+](CC(=O)N3CCOCC3)C2)n1 ZINC000072379154 522229858 /nfs/dbraw/zinc/22/98/58/522229858.db2.gz HGIGTSYYBHTOBD-KRWDZBQOSA-N 2 2 369.469 1.614 40 0 FDABLP Cc1[nH+]ccn1-c1cccc([C@H]2CCC[N@@H+](CC(=O)N3CCOCC3)C2)n1 ZINC000072379154 522229864 /nfs/dbraw/zinc/22/98/64/522229864.db2.gz HGIGTSYYBHTOBD-KRWDZBQOSA-N 2 2 369.469 1.614 40 0 FDABLP O=C(C[N@@H+]1CCC[C@H](c2cccc(-n3cc[nH+]c3)n2)C1)N1CCOCC1 ZINC000072378723 522229941 /nfs/dbraw/zinc/22/99/41/522229941.db2.gz BYAPBKHQOWTTTL-INIZCTEOSA-N 2 2 355.442 1.306 40 0 FDABLP O=C(C[N@H+]1CCC[C@H](c2cccc(-n3cc[nH+]c3)n2)C1)N1CCOCC1 ZINC000072378723 522229950 /nfs/dbraw/zinc/22/99/50/522229950.db2.gz BYAPBKHQOWTTTL-INIZCTEOSA-N 2 2 355.442 1.306 40 0 FDABLP C[NH+](C)CCOc1ccc(C(=O)N[C@@H]2CC[C@@H](n3cc[nH+]c3)[C@@H]2O)cc1 ZINC000257294242 223054058 /nfs/dbraw/zinc/05/40/58/223054058.db2.gz QTEFWSXVFKHCHE-KZNAEPCWSA-N 2 2 358.442 1.318 40 0 FDABLP O=C(C[N@H+]1CCc2nnc([C@@H]3CCC[NH2+]3)n2CC1)Nc1ccc(F)cc1 ZINC000019706524 220288672 /nfs/dbraw/zinc/28/86/72/220288672.db2.gz YAWINSCEQVWGRS-HNNXBMFYSA-N 2 2 358.421 1.339 40 0 FDABLP O=C(C[N@@H+]1CCc2nnc([C@@H]3CCC[NH2+]3)n2CC1)Nc1ccc(F)cc1 ZINC000019706524 220288674 /nfs/dbraw/zinc/28/86/74/220288674.db2.gz YAWINSCEQVWGRS-HNNXBMFYSA-N 2 2 358.421 1.339 40 0 FDABLP Cc1cccc(COC[C@H]2Cc3c([nH+]cn3C)CN2C(=O)C[NH+](C)C)n1 ZINC000585094620 551568580 /nfs/dbraw/zinc/56/85/80/551568580.db2.gz FSQCNIJACPUTBB-MRXNPFEDSA-N 2 2 357.458 1.155 40 0 FDABLP CCc1[nH+]ccn1CC(=O)N1CCO[C@H](CCc2cc[nH+]c(NC)c2)C1 ZINC000257310522 529759648 /nfs/dbraw/zinc/75/96/48/529759648.db2.gz UFKLOPJFAHFPMS-MRXNPFEDSA-N 2 2 357.458 1.742 40 0 FDABLP CCOc1cc(C[NH2+]CC[NH2+]C[C@H](C)O)cc(Br)c1OC ZINC000022076084 263384853 /nfs/dbraw/zinc/38/48/53/263384853.db2.gz UYYQUEZDINDIEH-NSHDSACASA-N 2 2 361.280 1.916 40 0 FDABLP CCOc1c(Br)cc(C[NH2+]CC[NH2+]C[C@H](C)O)cc1OC ZINC000022076017 263385526 /nfs/dbraw/zinc/38/55/26/263385526.db2.gz BPSRFXLUIGPIGG-NSHDSACASA-N 2 2 361.280 1.916 40 0 FDABLP Cc1[nH+]ccn1-c1cncc([C@H]2CCC[N@H+](CC(=O)N3CCOCC3)C2)n1 ZINC000072355544 522226423 /nfs/dbraw/zinc/22/64/23/522226423.db2.gz FYDPERZXNRSNLQ-INIZCTEOSA-N 2 2 370.457 1.009 40 0 FDABLP Cc1[nH+]ccn1-c1cncc([C@H]2CCC[N@@H+](CC(=O)N3CCOCC3)C2)n1 ZINC000072355544 522226433 /nfs/dbraw/zinc/22/64/33/522226433.db2.gz FYDPERZXNRSNLQ-INIZCTEOSA-N 2 2 370.457 1.009 40 0 FDABLP O=C(C[NH+]1CCCC1)N1CCC[C@H]1c1ccc(C[NH+]2CCOCC2)cn1 ZINC000257302091 223058341 /nfs/dbraw/zinc/05/83/41/223058341.db2.gz SBMKMFFAXFNBAQ-IBGZPJMESA-N 2 2 358.486 1.673 40 0 FDABLP CNc1cc([C@@H]2CCC[N@@H+](C3CCN(S(C)(=O)=O)CC3)C2)cc[nH+]1 ZINC000257322840 533052511 /nfs/dbraw/zinc/05/25/11/533052511.db2.gz WHPRARSLGBENJJ-OAHLLOKOSA-N 2 2 352.504 1.727 40 0 FDABLP CNc1cc([C@@H]2CCC[N@H+](C3CCN(S(C)(=O)=O)CC3)C2)cc[nH+]1 ZINC000257322840 533052517 /nfs/dbraw/zinc/05/25/17/533052517.db2.gz WHPRARSLGBENJJ-OAHLLOKOSA-N 2 2 352.504 1.727 40 0 FDABLP CN(C[C@@]1(O)CCCN(c2cc[nH+]c3ccncc32)C1)C(=O)CCC[NH3+] ZINC000257333108 132297235 /nfs/dbraw/zinc/29/72/35/132297235.db2.gz YAESXVATUIIXGJ-IBGZPJMESA-N 2 2 357.458 1.158 40 0 FDABLP COc1ccc(C[N@@H+]2CCCn3c(=O)cc(Cn4cc[nH+]c4)nc3C2)cc1 ZINC000096059602 222007184 /nfs/dbraw/zinc/00/71/84/222007184.db2.gz LWEMBHWIZJGLNS-UHFFFAOYSA-N 2 2 365.437 1.903 40 0 FDABLP COc1ccc(C[N@H+]2CCCn3c(=O)cc(Cn4cc[nH+]c4)nc3C2)cc1 ZINC000096059602 222007186 /nfs/dbraw/zinc/00/71/86/222007186.db2.gz LWEMBHWIZJGLNS-UHFFFAOYSA-N 2 2 365.437 1.903 40 0 FDABLP O=C(c1cccc(Cn2cc[nH+]c2)c1)N1CC[C@H](O)[C@@H](n2cc[nH+]c2)CC1 ZINC000257214905 223023143 /nfs/dbraw/zinc/02/31/43/223023143.db2.gz CNXQNEXTCXJPSD-OALUTQOASA-N 2 2 365.437 1.966 40 0 FDABLP Cc1[nH+]ccn1CC(=O)N1CCO[C@H](CCc2cc[nH+]c(N(C)C)c2)C1 ZINC000257219000 223025189 /nfs/dbraw/zinc/02/51/89/223025189.db2.gz DFEYVORYLVUPJL-QGZVFWFLSA-N 2 2 357.458 1.513 40 0 FDABLP C[NH+](C)CCCNc1nc(NCc2ccco2)cc(-c2ccncc2)[nH+]1 ZINC000329070541 223131939 /nfs/dbraw/zinc/13/19/39/223131939.db2.gz ZHOQROJTMAWZDP-UHFFFAOYSA-N 2 2 352.442 1.951 40 0 FDABLP C[C@@H](CO)Nc1nc(NCCC2CC[NH2+]CC2)cc(-c2ccccc2)[nH+]1 ZINC000328956993 534128526 /nfs/dbraw/zinc/12/85/26/534128526.db2.gz AIGQYZDJAFELEG-HNNXBMFYSA-N 2 2 355.486 1.582 40 0 FDABLP Cc1nn(C)cc1C[NH+]1CCN(c2cc(C)[nH+]c([C@@H]3CC[NH2+]C3)c2)CC1 ZINC000019739024 518831698 /nfs/dbraw/zinc/83/16/98/518831698.db2.gz GYXZMKUMEZZKKL-QGZVFWFLSA-N 3 2 354.502 1.831 40 0 FDABLP O=C(C[N@@H+]1CCC[C@@H](c2cccc(-n3cc[nH+]c3)n2)C1)N1CCOCC1 ZINC000072378722 522229575 /nfs/dbraw/zinc/22/95/75/522229575.db2.gz BYAPBKHQOWTTTL-MRXNPFEDSA-N 2 2 355.442 1.306 40 0 FDABLP O=C(C[N@H+]1CCC[C@@H](c2cccc(-n3cc[nH+]c3)n2)C1)N1CCOCC1 ZINC000072378722 522229585 /nfs/dbraw/zinc/22/95/85/522229585.db2.gz BYAPBKHQOWTTTL-MRXNPFEDSA-N 2 2 355.442 1.306 40 0 FDABLP C[NH+]1CCN(CCNc2cc(-c3ccccc3)[nH+]c(NC3CC3)n2)CC1 ZINC000328997941 529771445 /nfs/dbraw/zinc/77/14/45/529771445.db2.gz JQUFZWUPMPEYON-UHFFFAOYSA-N 2 2 352.486 1.221 40 0 FDABLP O=C(C[NH+]1Cc2ccccc2C1)N1CCc2nc([C@H]3CC[NH2+]C3)ncc2C1 ZINC000019375539 220256012 /nfs/dbraw/zinc/25/60/12/220256012.db2.gz HUAZASMIMIGCDI-HNNXBMFYSA-N 2 2 363.465 1.454 40 0 FDABLP COc1ncccc1C[N@H+]1C[C@@H]2[C@H](C1)OCCN2c1cc[nH+]c(N(C)C)n1 ZINC000096248874 132224406 /nfs/dbraw/zinc/22/44/06/132224406.db2.gz MUOWOTOLFIKYDR-CVEARBPZSA-N 2 2 370.457 1.036 40 0 FDABLP COc1ncccc1C[N@@H+]1C[C@@H]2[C@H](C1)OCCN2c1cc[nH+]c(N(C)C)n1 ZINC000096248874 132224407 /nfs/dbraw/zinc/22/44/07/132224407.db2.gz MUOWOTOLFIKYDR-CVEARBPZSA-N 2 2 370.457 1.036 40 0 FDABLP CCOc1c(Br)cc(C[NH2+]CC[NH2+]C[C@@H](C)O)cc1OC ZINC000022076015 263385455 /nfs/dbraw/zinc/38/54/55/263385455.db2.gz BPSRFXLUIGPIGG-LLVKDONJSA-N 2 2 361.280 1.916 40 0 FDABLP Cc1[nH+]ccn1C[C@]1(O)CN(C(=O)CCCc2ccccc2)CC[N@@H+](C)C1 ZINC000072354526 522222527 /nfs/dbraw/zinc/22/25/27/522222527.db2.gz YWGQZVULCZOHOV-NRFANRHFSA-N 2 2 370.497 1.720 40 0 FDABLP Cc1[nH+]ccn1C[C@]1(O)CN(C(=O)CCCc2ccccc2)CC[N@H+](C)C1 ZINC000072354526 522222537 /nfs/dbraw/zinc/22/25/37/522222537.db2.gz YWGQZVULCZOHOV-NRFANRHFSA-N 2 2 370.497 1.720 40 0 FDABLP Cc1[nH+]c2ccccc2n1CC(=O)N[C@@H]1CCC[C@@H]([NH+]2CCCC2)[C@@H]1O ZINC000257278237 534676277 /nfs/dbraw/zinc/67/62/77/534676277.db2.gz OBKJNTLNTYAFCM-YVWKXTFCSA-N 2 2 356.470 1.839 40 0 FDABLP Cc1[nH+]c2ccccc2n1CC(=O)N[C@@H]1CCC[C@@H](n2cc[nH+]c2)[C@@H]1O ZINC000257259218 534676546 /nfs/dbraw/zinc/67/65/46/534676546.db2.gz KXJKMVGHRROBAS-SZVBFZGTSA-N 2 2 353.426 1.812 40 0 FDABLP C[N@H+](C1CC[NH+](Cc2c[nH]c3ccccc23)CC1)[C@@H]1COC[C@@H](O)[C@H]1O ZINC000585290982 551580486 /nfs/dbraw/zinc/58/04/86/551580486.db2.gz JTBAWGJHBFHOAU-AQNXPRMDSA-N 2 2 359.470 1.185 40 0 FDABLP C[N@@H+](C1CC[NH+](Cc2c[nH]c3ccccc23)CC1)[C@@H]1COC[C@@H](O)[C@H]1O ZINC000585290982 551580490 /nfs/dbraw/zinc/58/04/90/551580490.db2.gz JTBAWGJHBFHOAU-AQNXPRMDSA-N 2 2 359.470 1.185 40 0 FDABLP C[NH+](C)CCNc1nc(NCC[NH+]2CCOCC2)cc(-c2ccccc2)n1 ZINC000244376251 570610540 /nfs/dbraw/zinc/61/05/40/570610540.db2.gz YBUGOVTWKIIOLD-UHFFFAOYSA-N 2 2 370.501 1.861 40 0 FDABLP Cc1cc(=O)n2c(n1)NC(N1CC[NH+](C)CC1)=[NH+][C@H]2c1cccc(Cl)c1 ZINC000104280024 222354335 /nfs/dbraw/zinc/35/43/35/222354335.db2.gz XDFXMNGEVIQLTH-MRXNPFEDSA-N 2 2 372.860 1.781 40 0 FDABLP OCCCNc1nc(NCCC2CC[NH2+]CC2)cc(-c2ccccc2)[nH+]1 ZINC000329038621 534361780 /nfs/dbraw/zinc/36/17/80/534361780.db2.gz RTJZXSHLQYGLSW-UHFFFAOYSA-N 2 2 355.486 1.583 40 0 FDABLP O=C(C[N@@H+]1CCC[C@H]1Cn1cccn1)N1CCN(c2cccc[nH+]2)CC1 ZINC000019659021 518822347 /nfs/dbraw/zinc/82/23/47/518822347.db2.gz KIRHXJANUBMUHH-KRWDZBQOSA-N 2 2 354.458 1.091 40 0 FDABLP O=C(C[N@H+]1CCC[C@H]1Cn1cccn1)N1CCN(c2cccc[nH+]2)CC1 ZINC000019659021 518822355 /nfs/dbraw/zinc/82/23/55/518822355.db2.gz KIRHXJANUBMUHH-KRWDZBQOSA-N 2 2 354.458 1.091 40 0 FDABLP Cc1cc(N2CC[NH+](CCN3CCCC3=O)CC2)cc([C@@H]2CCC[NH2+]2)[nH+]1 ZINC000019697976 518824625 /nfs/dbraw/zinc/82/46/25/518824625.db2.gz NMNUNVZFBIOOKI-SFHVURJKSA-N 3 2 357.502 1.559 40 0 FDABLP CC(=O)N1CCN(c2cc(C)[nH+]c([C@H]3CCC[N@H+]3CC(=O)N(C)C)c2)CC1 ZINC000019698169 518826809 /nfs/dbraw/zinc/82/68/09/518826809.db2.gz CGKVVEGTNNVDNO-LJQANCHMSA-N 2 2 373.501 1.284 40 0 FDABLP CC(=O)N1CCN(c2cc(C)[nH+]c([C@H]3CCC[N@@H+]3CC(=O)N(C)C)c2)CC1 ZINC000019698169 518826814 /nfs/dbraw/zinc/82/68/14/518826814.db2.gz CGKVVEGTNNVDNO-LJQANCHMSA-N 2 2 373.501 1.284 40 0 FDABLP COc1cc(C)ccc1S(=O)(=O)N1Cc2c[nH+]cn2[C@H](C[NH+](C)C)C1 ZINC000248130651 537168056 /nfs/dbraw/zinc/16/80/56/537168056.db2.gz QEHSXVUJCPVYBD-OAHLLOKOSA-N 2 2 364.471 1.507 40 0 FDABLP CC(C)[N@H+](C)CC(=O)N1CCc2[nH+]cc(CNC(=O)CC3CC3)n2CC1 ZINC000585110598 551573739 /nfs/dbraw/zinc/57/37/39/551573739.db2.gz DOHJGZWNYWBJKN-UHFFFAOYSA-N 2 2 361.490 1.024 40 0 FDABLP CC(C)[N@@H+](C)CC(=O)N1CCc2[nH+]cc(CNC(=O)CC3CC3)n2CC1 ZINC000585110598 551573741 /nfs/dbraw/zinc/57/37/41/551573741.db2.gz DOHJGZWNYWBJKN-UHFFFAOYSA-N 2 2 361.490 1.024 40 0 FDABLP C[N@H+](CCc1ccccn1)[C@H]1[C@H]([NH3+])CC[C@@H](Oc2ccc(F)cc2)[C@@H]1O ZINC000257283249 529935913 /nfs/dbraw/zinc/93/59/13/529935913.db2.gz OXLOYQKKHIFFIT-ZRNYENFQSA-N 2 2 359.445 1.993 40 0 FDABLP C[N@@H+](CCc1ccccn1)[C@H]1[C@H]([NH3+])CC[C@@H](Oc2ccc(F)cc2)[C@@H]1O ZINC000257283249 529935915 /nfs/dbraw/zinc/93/59/15/529935915.db2.gz OXLOYQKKHIFFIT-ZRNYENFQSA-N 2 2 359.445 1.993 40 0 FDABLP CN(C(=O)c1ccc(OCCC[NH3+])cc1)[C@@H]1CC[C@@H](n2cc[nH+]c2)[C@@H]1O ZINC000257208450 223020267 /nfs/dbraw/zinc/02/02/67/223020267.db2.gz BMEUALXKHGCWSY-KZNAEPCWSA-N 2 2 358.442 1.447 40 0 FDABLP Cn1cc[nH+]c1CN1C(=O)CO[C@H]2C[N@@H+](Cc3c[nH]c4ccccc34)C[C@H]21 ZINC000067897331 221302201 /nfs/dbraw/zinc/30/22/01/221302201.db2.gz NBSWZMRNDVGFTC-MSOLQXFVSA-N 2 2 365.437 1.513 40 0 biogenic,in-vitro FDABLP Cn1cc[nH+]c1CN1C(=O)CO[C@H]2C[N@H+](Cc3c[nH]c4ccccc34)C[C@H]21 ZINC000067897331 221302204 /nfs/dbraw/zinc/30/22/04/221302204.db2.gz NBSWZMRNDVGFTC-MSOLQXFVSA-N 2 2 365.437 1.513 40 0 biogenic,in-vitro FDABLP CCN(CC)C(=O)C[NH+]1CCN(c2cc(C)[nH+]c([C@@H]3CC[NH2+]C3)c2)CC1 ZINC000019739116 518832328 /nfs/dbraw/zinc/83/23/28/518832328.db2.gz CHUWQJJRESBDJU-QGZVFWFLSA-N 3 2 359.518 1.457 40 0 FDABLP O=C(C[NH+]1CCC2(CC1)Nc1ccccc1C1=[NH+]CCN12)NCC1CC1 ZINC000072327104 522215924 /nfs/dbraw/zinc/21/59/24/522215924.db2.gz NBAFDDDBRKVOHC-UHFFFAOYSA-N 2 2 353.470 1.493 40 0 FDABLP C[NH+]1CCN(C(=O)Nc2ccc(NC(=O)N3CC[NH+](C)CC3)cc2)CC1 ZINC000019075235 220235941 /nfs/dbraw/zinc/23/59/41/220235941.db2.gz UBHJVYSWNGIBHV-UHFFFAOYSA-N 2 2 360.462 1.245 40 0 FDABLP Cc1ccc(C[N@@H+]2CCOC[C@]3(CC[C@H](C[NH+]4CCOCC4)O3)C2)o1 ZINC000096052357 222002954 /nfs/dbraw/zinc/00/29/54/222002954.db2.gz UVGZUIXWZUAXOA-MOPGFXCFSA-N 2 2 350.459 1.670 40 0 FDABLP Cc1ccc(C[N@H+]2CCOC[C@]3(CC[C@H](C[NH+]4CCOCC4)O3)C2)o1 ZINC000096052357 222002960 /nfs/dbraw/zinc/00/29/60/222002960.db2.gz UVGZUIXWZUAXOA-MOPGFXCFSA-N 2 2 350.459 1.670 40 0 FDABLP CCOC(=O)[C@@]12C[N@H+](CCOC)C[C@@H]1C[NH+](Cc1cccnc1)CCC2 ZINC000096055966 222005206 /nfs/dbraw/zinc/00/52/06/222005206.db2.gz IEMQNPFBXOGONH-ICSRJNTNSA-N 2 2 361.486 1.805 40 0 FDABLP CCOC(=O)[C@@]12C[N@@H+](CCOC)C[C@@H]1C[NH+](Cc1cccnc1)CCC2 ZINC000096055966 222005210 /nfs/dbraw/zinc/00/52/10/222005210.db2.gz IEMQNPFBXOGONH-ICSRJNTNSA-N 2 2 361.486 1.805 40 0 FDABLP CCOC(=O)[C@@]12C[NH+](CCOC)C[C@@H]1C[N@H+](Cc1cccnc1)CCC2 ZINC000096055966 222005212 /nfs/dbraw/zinc/00/52/12/222005212.db2.gz IEMQNPFBXOGONH-ICSRJNTNSA-N 2 2 361.486 1.805 40 0 FDABLP CCOC(=O)[C@@]12C[NH+](CCOC)C[C@@H]1C[N@@H+](Cc1cccnc1)CCC2 ZINC000096055966 222005215 /nfs/dbraw/zinc/00/52/15/222005215.db2.gz IEMQNPFBXOGONH-ICSRJNTNSA-N 2 2 361.486 1.805 40 0 FDABLP