smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1cc(NC(=S)N2CC[NH+](Cc3ccco3)CC2)cc(OC)c1 ZINC000006951142 204283304 /nfs/dbraw/zinc/28/33/04/204283304.db2.gz NEMPSCNNEBUCNX-UHFFFAOYSA-N 1 2 361.467 2.811 40 0 FFABLO c1coc(-c2nc(NCC[NH+]3CCOCC3)ncc2-c2ccncc2)c1 ZINC000019342415 204677807 /nfs/dbraw/zinc/67/78/07/204677807.db2.gz VOXQGLJBFSUTHX-UHFFFAOYSA-N 1 2 351.410 2.543 40 0 FFABLO O=C(CCc1ccc(F)cc1)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000057695882 205244767 /nfs/dbraw/zinc/24/47/67/205244767.db2.gz AJHLTQRYCMUQRO-UHFFFAOYSA-N 1 2 370.424 2.831 40 0 FFABLO CC(C)n1c(SCc2ccccc2)nnc1[C@H]1CCC[N@H+](CC(N)=O)C1 ZINC000005001422 206186714 /nfs/dbraw/zinc/18/67/14/206186714.db2.gz HBUWKMIAZQKPFS-INIZCTEOSA-N 1 2 373.526 2.816 40 0 FFABLO CC(C)n1c(SCc2ccccc2)nnc1[C@H]1CCC[N@@H+](CC(N)=O)C1 ZINC000005001422 206186719 /nfs/dbraw/zinc/18/67/19/206186719.db2.gz HBUWKMIAZQKPFS-INIZCTEOSA-N 1 2 373.526 2.816 40 0 FFABLO CCn1c2ccccc2[nH+]c1N1CCC[C@@H](C(=O)NC[C@@H]2CCCO2)C1 ZINC000013566357 206302756 /nfs/dbraw/zinc/30/27/56/206302756.db2.gz GLTPYTMUERUMBP-CVEARBPZSA-N 1 2 356.470 2.568 40 0 FFABLO OC1CC[NH+]([C@@H](c2cccs2)c2nnnn2CCc2ccccc2)CC1 ZINC000020143301 206330924 /nfs/dbraw/zinc/33/09/24/206330924.db2.gz OLOKJFVXTZTHEK-SFHVURJKSA-N 1 2 369.494 2.523 40 0 FFABLO CCc1ccccc1N1C(=O)C[C@@H]([NH+]2CCN(c3ccccc3)CC2)C1=O ZINC000101274254 132233855 /nfs/dbraw/zinc/23/38/55/132233855.db2.gz AUOAAPNVWVQIRS-HXUWFJFHSA-N 1 2 363.461 2.703 40 0 FFABLO C[C@@H]1Cc2ccccc2N1C(=O)C[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000054530423 136125659 /nfs/dbraw/zinc/12/56/59/136125659.db2.gz ZMSLNNKHWFFOBL-MRXNPFEDSA-N 1 2 353.441 2.926 40 0 FFABLO CCN1c2ncccc2C(=O)NC12CC[NH+](Cc1ccc(F)c(F)c1)CC2 ZINC000012146013 506824406 /nfs/dbraw/zinc/82/44/06/506824406.db2.gz RAPWVMGKMRVYJY-UHFFFAOYSA-N 1 2 372.419 2.922 40 0 FFABLO CNc1ncc(C[N@@H+](Cc2cc(OC)ccc2OC)C[C@H]2CCCO2)cn1 ZINC000012187519 506831868 /nfs/dbraw/zinc/83/18/68/506831868.db2.gz GNCUHHKYGMAVTC-GOSISDBHSA-N 1 2 372.469 2.717 40 0 FFABLO CNc1ncc(C[N@H+](Cc2cc(OC)ccc2OC)C[C@H]2CCCO2)cn1 ZINC000012187519 506831875 /nfs/dbraw/zinc/83/18/75/506831875.db2.gz GNCUHHKYGMAVTC-GOSISDBHSA-N 1 2 372.469 2.717 40 0 FFABLO CCc1cc(=O)n2[nH]c([C@H]3CC[N@H+](Cc4ccc(OC)cc4)C3)cc2n1 ZINC000012255184 506841389 /nfs/dbraw/zinc/84/13/89/506841389.db2.gz CZVBIZZXTAKSRI-HNNXBMFYSA-N 1 2 352.438 2.995 40 0 FFABLO CCc1cc(=O)n2[nH]c([C@H]3CC[N@@H+](Cc4ccc(OC)cc4)C3)cc2n1 ZINC000012255184 506841392 /nfs/dbraw/zinc/84/13/92/506841392.db2.gz CZVBIZZXTAKSRI-HNNXBMFYSA-N 1 2 352.438 2.995 40 0 FFABLO CN(C)c1nc(N2CCSCC2)c2c([nH+]1)CN(Cc1ccccc1)CC2 ZINC000012325763 506848575 /nfs/dbraw/zinc/84/85/75/506848575.db2.gz NPPGCRILLHIOIJ-UHFFFAOYSA-N 1 2 369.538 2.654 40 0 FFABLO O=c1[nH]c(-c2ccccn2)nc2c1CC[N@H+](Cc1ccc3ccccc3n1)C2 ZINC000019376335 507169527 /nfs/dbraw/zinc/16/95/27/507169527.db2.gz WFQOBJINWUPYJP-UHFFFAOYSA-N 1 2 369.428 2.938 40 0 FFABLO O=c1[nH]c(-c2ccccn2)nc2c1CC[N@@H+](Cc1ccc3ccccc3n1)C2 ZINC000019376335 507169535 /nfs/dbraw/zinc/16/95/35/507169535.db2.gz WFQOBJINWUPYJP-UHFFFAOYSA-N 1 2 369.428 2.938 40 0 FFABLO Cc1c(NC(=O)C[N@@H+]2CCC[C@@H](COc3ccc(F)cc3)C2)cnn1C ZINC000019553798 507179581 /nfs/dbraw/zinc/17/95/81/507179581.db2.gz LTPYDJHBPJUFAV-OAHLLOKOSA-N 1 2 360.433 2.597 40 0 FFABLO Cc1c(NC(=O)C[N@H+]2CCC[C@@H](COc3ccc(F)cc3)C2)cnn1C ZINC000019553798 507179589 /nfs/dbraw/zinc/17/95/89/507179589.db2.gz LTPYDJHBPJUFAV-OAHLLOKOSA-N 1 2 360.433 2.597 40 0 FFABLO Cc1occc1-c1nc(NCC[NH+]2CCOCC2)ncc1-c1ccncc1 ZINC000019583088 507183834 /nfs/dbraw/zinc/18/38/34/507183834.db2.gz ZBBUWYSPPDDLEM-UHFFFAOYSA-N 1 2 365.437 2.851 40 0 FFABLO Cc1ccc(-c2cc(C(=O)NC[C@@H](C(C)C)[NH+]3CCOCC3)no2)cc1 ZINC000019715075 507195137 /nfs/dbraw/zinc/19/51/37/507195137.db2.gz SAMNMLLUXUGALD-SFHVURJKSA-N 1 2 357.454 2.737 40 0 FFABLO COc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2c2cnc4cc(C)nn4c2C3)cc1CO ZINC000072336929 507776905 /nfs/dbraw/zinc/77/69/05/507776905.db2.gz KWXYXZTVBTVSMJ-AEFFLSMTSA-N 1 2 364.449 2.800 40 0 FFABLO COc1ccc(C[N@H+]2[C@@H]3CC[C@H]2c2cnc4cc(C)nn4c2C3)cc1CO ZINC000072336929 507776907 /nfs/dbraw/zinc/77/69/07/507776907.db2.gz KWXYXZTVBTVSMJ-AEFFLSMTSA-N 1 2 364.449 2.800 40 0 FFABLO CCc1[nH+]ccn1-c1cccc(C2CCN(C(=O)c3cnccn3)CC2)n1 ZINC000072378757 507781345 /nfs/dbraw/zinc/78/13/45/507781345.db2.gz SQYPPOKMWIZIPF-UHFFFAOYSA-N 1 2 362.437 2.640 40 0 FFABLO O=C(c1cccs1)N1CCC2(CC1)C[N@H+](Cc1ccccn1)CCO2 ZINC000096048966 508204011 /nfs/dbraw/zinc/20/40/11/508204011.db2.gz JOGVZQJRNOOKGT-UHFFFAOYSA-N 1 2 357.479 2.650 40 0 FFABLO O=C(c1cccs1)N1CCC2(CC1)C[N@@H+](Cc1ccccn1)CCO2 ZINC000096048966 508204015 /nfs/dbraw/zinc/20/40/15/508204015.db2.gz JOGVZQJRNOOKGT-UHFFFAOYSA-N 1 2 357.479 2.650 40 0 FFABLO Cc1cc(C)cc(C(=O)N2CCCn3nnc(C[NH+]4CCCCC4)c3C2)c1 ZINC000096259573 508212646 /nfs/dbraw/zinc/21/26/46/508212646.db2.gz NOONTLUNFRSJCP-UHFFFAOYSA-N 1 2 367.497 2.927 40 0 FFABLO COc1ccc(C[N@@H+]2CCc3nc4cc(C)[nH]n4c(=O)c3CC2)cc1C ZINC000100775119 508240187 /nfs/dbraw/zinc/24/01/87/508240187.db2.gz AECOEPMAQHVQNL-UHFFFAOYSA-N 1 2 352.438 2.661 40 0 FFABLO COc1ccc(C[N@H+]2CCc3nc4cc(C)[nH]n4c(=O)c3CC2)cc1C ZINC000100775119 508240190 /nfs/dbraw/zinc/24/01/90/508240190.db2.gz AECOEPMAQHVQNL-UHFFFAOYSA-N 1 2 352.438 2.661 40 0 FFABLO c1cncc(CO[C@@H]2CCOC3(C[NH+](Cc4ccc5c(c4)OCO5)C3)C2)c1 ZINC000248331020 509270588 /nfs/dbraw/zinc/27/05/88/509270588.db2.gz GJPVEALODWXZJW-GOSISDBHSA-N 1 2 368.433 2.761 40 0 FFABLO Cc1ccc(Nc2ccc(NC(=S)NCC[NH+]3CCOCC3)cn2)cc1 ZINC000223894640 509349759 /nfs/dbraw/zinc/34/97/59/509349759.db2.gz LVRMREHWIJBEFW-UHFFFAOYSA-N 1 2 371.510 2.752 40 0 FFABLO Cc1ccc(C)c(OCCNC(=O)c2ccc(C[NH+]3CCOCC3)cc2)c1 ZINC000223979342 509353716 /nfs/dbraw/zinc/35/37/16/509353716.db2.gz FXGMCEMUHYXQSK-UHFFFAOYSA-N 1 2 368.477 2.944 40 0 FFABLO CN(C(=O)c1cc(C2CCCCC2)no1)[C@@H]1CC[C@@H](n2cc[nH+]c2)[C@@H]1O ZINC000257268883 509968216 /nfs/dbraw/zinc/96/82/16/509968216.db2.gz MNQQBYMJQFMSLK-JFIYKMOQSA-N 1 2 358.442 2.755 40 0 FFABLO Cc1cc(Nc2ncccn2)nc([C@H]2CCCC[N@H+]2Cc2cnn(C)c2)n1 ZINC000257282070 509971495 /nfs/dbraw/zinc/97/14/95/509971495.db2.gz OSFRNTGWUZNAMB-MRXNPFEDSA-N 1 2 364.457 2.779 40 0 FFABLO Cc1cc(Nc2ncccn2)nc([C@H]2CCCC[N@@H+]2Cc2cnn(C)c2)n1 ZINC000257282070 509971500 /nfs/dbraw/zinc/97/15/00/509971500.db2.gz OSFRNTGWUZNAMB-MRXNPFEDSA-N 1 2 364.457 2.779 40 0 FFABLO CNc1nccnc1[C@@H]1C[N@H+](Cc2c[nH]nc2-c2cccs2)CCO1 ZINC000257319704 509979407 /nfs/dbraw/zinc/97/94/07/509979407.db2.gz VTRHYJJKIPOCJG-ZDUSSCGKSA-N 1 2 356.455 2.543 40 0 FFABLO CNc1nccnc1[C@@H]1C[N@@H+](Cc2c[nH]nc2-c2cccs2)CCO1 ZINC000257319704 509979414 /nfs/dbraw/zinc/97/94/14/509979414.db2.gz VTRHYJJKIPOCJG-ZDUSSCGKSA-N 1 2 356.455 2.543 40 0 FFABLO Cc1csc(CCCC(=O)N2CC[NH+](Cc3c(C)noc3C)CC2)n1 ZINC000283046776 511214074 /nfs/dbraw/zinc/21/40/74/511214074.db2.gz NUXJHKZEEMNMAV-UHFFFAOYSA-N 1 2 362.499 2.723 40 0 FFABLO C[C@@H](CO)Nc1nc(Nc2ccc(OC(F)F)cc2)cc(C2CC2)[nH+]1 ZINC000328982890 511961234 /nfs/dbraw/zinc/96/12/34/511961234.db2.gz HDIOFCMJLNPRJX-JTQLQIEISA-N 1 2 350.369 3.492 40 0 FFABLO COc1ccccc1Nc1cc(-c2ccccc2)[nH+]c(NCCCO)n1 ZINC000329019769 511968667 /nfs/dbraw/zinc/96/86/67/511968667.db2.gz NXQMNOUQAARCFJ-UHFFFAOYSA-N 1 2 350.422 2.534 40 0 FFABLO C[C@@H](CO)Nc1nc(Nc2c(F)cccc2C(F)(F)F)cc(C2CC2)[nH+]1 ZINC000329026610 511969910 /nfs/dbraw/zinc/96/99/10/511969910.db2.gz PNOWHWLNPFMBOF-VIFPVBQESA-N 1 2 370.350 2.892 40 0 FFABLO COCC[N@@H+]1CCN(C(=O)c2csc(C3CCCCC3)n2)C[C@H]1C ZINC000412121615 512969137 /nfs/dbraw/zinc/96/91/37/512969137.db2.gz MGKOSZWCBUTDTO-CQSZACIVSA-N 1 2 351.516 2.984 40 0 FFABLO COCC[N@H+]1CCN(C(=O)c2csc(C3CCCCC3)n2)C[C@H]1C ZINC000412121615 512969140 /nfs/dbraw/zinc/96/91/40/512969140.db2.gz MGKOSZWCBUTDTO-CQSZACIVSA-N 1 2 351.516 2.984 40 0 FFABLO CC(C)(C)Nc1nc(N2CCC[C@@H](F)C2)nc(N2CCC[C@@H](F)C2)[nH+]1 ZINC000578476137 518225406 /nfs/dbraw/zinc/22/54/06/518225406.db2.gz YQOKBJVBWPTAQT-CHWSQXEVSA-N 1 2 354.449 2.959 40 0 FFABLO CC(C)(C)Nc1nc(N2CCC[C@@H](F)C2)[nH+]c(N2CCC[C@@H](F)C2)n1 ZINC000578476137 518225410 /nfs/dbraw/zinc/22/54/10/518225410.db2.gz YQOKBJVBWPTAQT-CHWSQXEVSA-N 1 2 354.449 2.959 40 0 FFABLO Cc1cc(CN2CCn3c(CCOc4cccnc4)c[nH+]c3[C@@H]2C)[nH]n1 ZINC000585097241 518533722 /nfs/dbraw/zinc/53/37/22/518533722.db2.gz GYBVDMUVZAKDRN-HNNXBMFYSA-N 1 2 352.442 2.508 40 0 FFABLO Cc1cc(C[N@H+]2Cc3cccn3C[C@@H](CC(=O)NCc3ccco3)C2)no1 ZINC000585099211 518534599 /nfs/dbraw/zinc/53/45/99/518534599.db2.gz VPWXQAUPJOZIKL-INIZCTEOSA-N 1 2 368.437 2.716 40 0 FFABLO Cc1cc(C[N@@H+]2Cc3cccn3C[C@@H](CC(=O)NCc3ccco3)C2)no1 ZINC000585099211 518534606 /nfs/dbraw/zinc/53/46/06/518534606.db2.gz VPWXQAUPJOZIKL-INIZCTEOSA-N 1 2 368.437 2.716 40 0 FFABLO CC(=O)Nc1cccc(-c2c[nH+]c3n2CCN(C(=O)[C@H]2C[C@H]2C)CC3)c1 ZINC000585111576 518544495 /nfs/dbraw/zinc/54/44/95/518544495.db2.gz XBGYWXMUQLJLML-DYVFJYSZSA-N 1 2 352.438 2.549 40 0 FFABLO O=C(NCC[C@@H]1C[N@H+](Cc2ccccc2)Cc2ccnn21)N1CCCC1 ZINC000585112776 518546180 /nfs/dbraw/zinc/54/61/80/518546180.db2.gz WFSUAABUQKAARO-GOSISDBHSA-N 1 2 353.470 2.636 40 0 FFABLO O=C(NCC[C@@H]1C[N@@H+](Cc2ccccc2)Cc2ccnn21)N1CCCC1 ZINC000585112776 518546186 /nfs/dbraw/zinc/54/61/86/518546186.db2.gz WFSUAABUQKAARO-GOSISDBHSA-N 1 2 353.470 2.636 40 0 FFABLO O=C(NCC[NH+](Cc1ccccn1)Cc1ccccn1)c1cccs1 ZINC000057797318 205244621 /nfs/dbraw/zinc/24/46/21/205244621.db2.gz PZYIMIGXTOZSNE-UHFFFAOYSA-N 1 2 352.463 2.970 40 0 FFABLO O=C(C[NH+]1CCC(NC(=O)c2cccc(F)c2)CC1)Nc1ccccc1F ZINC000004909642 206185551 /nfs/dbraw/zinc/18/55/51/206185551.db2.gz UQVPEYLXIWFOBP-UHFFFAOYSA-N 1 2 373.403 2.798 40 0 FFABLO COc1c(C)c[nH+]c(CN(C)C(=O)Nc2cc([C@H]3CCCO3)nn2C)c1C ZINC000278622059 256332102 /nfs/dbraw/zinc/33/21/02/256332102.db2.gz BBZNOAMJRYOELP-MRXNPFEDSA-N 1 2 373.457 2.956 40 0 FFABLO O=S(=O)(c1ccccc1)N1CC[C@]2(C1)CCCN(c1cccc[nH+]1)C2 ZINC000096216733 132222604 /nfs/dbraw/zinc/22/26/04/132222604.db2.gz IIMXCUIHVKZROR-LJQANCHMSA-N 1 2 357.479 2.763 40 0 FFABLO Cc1cccc(N2C(=O)C[C@@H]([NH+]3CCN(c4ccccc4)CC3)C2=O)c1C ZINC000101274233 132233859 /nfs/dbraw/zinc/23/38/59/132233859.db2.gz YSYSGYNMQHZNHL-HXUWFJFHSA-N 1 2 363.461 2.758 40 0 FFABLO CN(C)c1nc(N2CCCCC2)[nH+]cc1NC(=O)Cc1ccc(F)cc1 ZINC000224357119 132283415 /nfs/dbraw/zinc/28/34/15/132283415.db2.gz QXSKEYNIWMGXAB-UHFFFAOYSA-N 1 2 357.433 2.853 40 0 FFABLO CC(=O)NC(=Cc1c[nH]c(C)[nH+]1)[C@]1(C)CCCN(c2cc(C)ncn2)C1 ZINC000257255531 132295791 /nfs/dbraw/zinc/29/57/91/132295791.db2.gz KHVOMGYJWWESML-IISPMBILSA-N 1 2 354.458 2.600 40 0 FFABLO Cc1cnc(NC(=O)[C@@]2(C)CCCN(c3cc(N(C)C)[nH+]cn3)C2)s1 ZINC000257312257 132297024 /nfs/dbraw/zinc/29/70/24/132297024.db2.gz UNBRVCYAZTYWCJ-KRWDZBQOSA-N 1 2 360.487 2.553 40 0 FFABLO Cc1cnc(NC(=O)[C@@]2(C)CCCN(c3cc(N(C)C)nc[nH+]3)C2)s1 ZINC000257312257 132297025 /nfs/dbraw/zinc/29/70/25/132297025.db2.gz UNBRVCYAZTYWCJ-KRWDZBQOSA-N 1 2 360.487 2.553 40 0 FFABLO O[C@@H]1CCC[N@H+](Cc2nc(-c3cccnc3OC3CCCCC3)no2)C1 ZINC000012365419 506855078 /nfs/dbraw/zinc/85/50/78/506855078.db2.gz OMXSQIWBKTYOJF-CQSZACIVSA-N 1 2 358.442 2.800 40 0 FFABLO O[C@@H]1CCC[N@@H+](Cc2nc(-c3cccnc3OC3CCCCC3)no2)C1 ZINC000012365419 506855088 /nfs/dbraw/zinc/85/50/88/506855088.db2.gz OMXSQIWBKTYOJF-CQSZACIVSA-N 1 2 358.442 2.800 40 0 FFABLO CCOC(=O)C1CC[NH+]([C@@H]2CC(=O)N(c3ccc(C(C)C)cc3)C2=O)CC1 ZINC000013636613 506946861 /nfs/dbraw/zinc/94/68/61/506946861.db2.gz BXDOQNJLGJIIQQ-GOSISDBHSA-N 1 2 372.465 2.717 40 0 FFABLO CCC(CC)C(=O)N1CC[NH+](Cc2cc(-c3ccncc3)nn2C)CC1 ZINC000019500208 507173946 /nfs/dbraw/zinc/17/39/46/507173946.db2.gz LBJSGRPPJUFASF-UHFFFAOYSA-N 1 2 355.486 2.563 40 0 FFABLO CCOc1ccccc1C[N@H+]1CCc2nc3ccsc3c(=O)n2CC1 ZINC000019520201 507174343 /nfs/dbraw/zinc/17/43/43/507174343.db2.gz ZKHKWPUJICJVNU-UHFFFAOYSA-N 1 2 355.463 2.915 40 0 FFABLO CCOc1ccccc1C[N@@H+]1CCc2nc3ccsc3c(=O)n2CC1 ZINC000019520201 507174347 /nfs/dbraw/zinc/17/43/47/507174347.db2.gz ZKHKWPUJICJVNU-UHFFFAOYSA-N 1 2 355.463 2.915 40 0 FFABLO CC(C)[C@H](CNC(=O)c1cc(-c2cccc(F)c2)no1)[NH+]1CCOCC1 ZINC000019718143 507196397 /nfs/dbraw/zinc/19/63/97/507196397.db2.gz JHLUAKXESQCHGY-KRWDZBQOSA-N 1 2 361.417 2.567 40 0 FFABLO Cn1cc(C[N@@H+]2CCO[C@@H](C(=O)N3CCCCC3)C2)c2cc(F)ccc21 ZINC000019747354 507198530 /nfs/dbraw/zinc/19/85/30/507198530.db2.gz LCQRAAGXUDUDTE-LJQANCHMSA-N 1 2 359.445 2.531 40 0 FFABLO Cn1cc(C[N@H+]2CCO[C@@H](C(=O)N3CCCCC3)C2)c2cc(F)ccc21 ZINC000019747354 507198538 /nfs/dbraw/zinc/19/85/38/507198538.db2.gz LCQRAAGXUDUDTE-LJQANCHMSA-N 1 2 359.445 2.531 40 0 FFABLO CCc1[nH+]ccn1-c1nccnc1C1CCN(C(=O)c2cccnc2)CC1 ZINC000072350604 507779460 /nfs/dbraw/zinc/77/94/60/507779460.db2.gz GKYZUYSZZOWVJN-UHFFFAOYSA-N 1 2 362.437 2.640 40 0 FFABLO CC(=O)N1CCc2nnc([C@H]3CCCC[N@@H+]3Cc3ccc(F)cc3)n2CC1 ZINC000072372793 507781315 /nfs/dbraw/zinc/78/13/15/507781315.db2.gz MJXYYOSELPTZPH-GOSISDBHSA-N 1 2 371.460 2.549 40 0 FFABLO CC(=O)N1CCc2nnc([C@H]3CCCC[N@H+]3Cc3ccc(F)cc3)n2CC1 ZINC000072372793 507781316 /nfs/dbraw/zinc/78/13/16/507781316.db2.gz MJXYYOSELPTZPH-GOSISDBHSA-N 1 2 371.460 2.549 40 0 FFABLO Cc1ccc(C)c2nc3c(cc12)CN(CCC[NH+]1CCOCC1)C(=O)O3 ZINC000072396330 507782094 /nfs/dbraw/zinc/78/20/94/507782094.db2.gz BWSAUAMNVJAAOS-UHFFFAOYSA-N 1 2 355.438 2.888 40 0 FFABLO COc1cccc([C@H]([NH3+])c2nnc(-c3cc(OC)c(OC)c(OC)c3)[nH]2)c1 ZINC000095533518 508197046 /nfs/dbraw/zinc/19/70/46/508197046.db2.gz CBYAQCLZZPSFFT-INIZCTEOSA-N 1 2 370.409 2.554 40 0 FFABLO CCOC[C@H]1CN(Cc2cccnc2OC)Cc2[nH+]cn(CC3CC3)c21 ZINC000096045119 508203460 /nfs/dbraw/zinc/20/34/60/508203460.db2.gz VTARPTZBOQUQGI-QGZVFWFLSA-N 1 2 356.470 2.833 40 0 FFABLO Cn1c[nH+]c2c1[C@H](COCC1CC1)CN(Cc1ccc3c(c1)OCO3)C2 ZINC000096044902 508203795 /nfs/dbraw/zinc/20/37/95/508203795.db2.gz UTTFIKSOUMDHFP-INIZCTEOSA-N 1 2 355.438 2.675 40 0 FFABLO Cn1cnc2c1[C@H](COCC1CC1)C[N@H+](Cc1ccc3c(c1)OCO3)C2 ZINC000096044902 508203797 /nfs/dbraw/zinc/20/37/97/508203797.db2.gz UTTFIKSOUMDHFP-INIZCTEOSA-N 1 2 355.438 2.675 40 0 FFABLO Cn1cnc2c1[C@H](COCC1CC1)C[N@@H+](Cc1ccc3c(c1)OCO3)C2 ZINC000096044902 508203799 /nfs/dbraw/zinc/20/37/99/508203799.db2.gz UTTFIKSOUMDHFP-INIZCTEOSA-N 1 2 355.438 2.675 40 0 FFABLO O=C(c1cccnc1)N1CC[C@H]2OCC[C@@]2(CCNc2cccc[nH+]2)C1 ZINC000096207656 508210307 /nfs/dbraw/zinc/21/03/07/508210307.db2.gz DMFKKVOICQYQLF-XLIONFOSSA-N 1 2 352.438 2.600 40 0 FFABLO Cc1cccc(C[N@@H+]2CCc3nc4cc(C(C)(C)C)[nH]n4c(=O)c3C2)n1 ZINC000100752962 508240118 /nfs/dbraw/zinc/24/01/18/508240118.db2.gz CARTUYZYGKSOSQ-UHFFFAOYSA-N 1 2 351.454 2.994 40 0 FFABLO Cc1cccc(C[N@H+]2CCc3nc4cc(C(C)(C)C)[nH]n4c(=O)c3C2)n1 ZINC000100752962 508240121 /nfs/dbraw/zinc/24/01/21/508240121.db2.gz CARTUYZYGKSOSQ-UHFFFAOYSA-N 1 2 351.454 2.994 40 0 FFABLO Cc1noc(C)c1C[NH+]1CC2(C1)C[C@@H](OCc1cncc(C)c1)CCO2 ZINC000253602977 509902091 /nfs/dbraw/zinc/90/20/91/509902091.db2.gz HIPQEDNTPWEINL-SFHVURJKSA-N 1 2 357.454 2.945 40 0 FFABLO Cc1ccc(F)c(NC(=O)C[N@@H+]2CC[C@H](Oc3ccccc3)[C@@](C)(O)C2)c1 ZINC000257205978 509957223 /nfs/dbraw/zinc/95/72/23/509957223.db2.gz BBIZYBOQUHTSAG-FPOVZHCZSA-N 1 2 372.440 2.977 40 0 FFABLO Cc1ccc(F)c(NC(=O)C[N@H+]2CC[C@H](Oc3ccccc3)[C@@](C)(O)C2)c1 ZINC000257205978 509957228 /nfs/dbraw/zinc/95/72/28/509957228.db2.gz BBIZYBOQUHTSAG-FPOVZHCZSA-N 1 2 372.440 2.977 40 0 FFABLO Cc1cn(C)c([C@@H]2CCCN(C(=O)c3cc(-c4cccnc4)n[nH]3)C2)[nH+]1 ZINC000257217666 509959541 /nfs/dbraw/zinc/95/95/41/509959541.db2.gz CZZUWOOCTCORLS-OAHLLOKOSA-N 1 2 350.426 2.533 40 0 FFABLO CNc1nccnc1[C@@H]1C[N@H+](Cc2cc3cc(OC)ccc3[nH]2)CCO1 ZINC000257254413 509966141 /nfs/dbraw/zinc/96/61/41/509966141.db2.gz KCYMGHNEBWRNQZ-KRWDZBQOSA-N 1 2 353.426 2.582 40 0 FFABLO CNc1nccnc1[C@@H]1C[N@@H+](Cc2cc3cc(OC)ccc3[nH]2)CCO1 ZINC000257254413 509966145 /nfs/dbraw/zinc/96/61/45/509966145.db2.gz KCYMGHNEBWRNQZ-KRWDZBQOSA-N 1 2 353.426 2.582 40 0 FFABLO CC(C)c1nnc(CCC(=O)N2CCC[C@@H]2c2cc[nH+]c(N(C)C)c2)o1 ZINC000257337354 509981367 /nfs/dbraw/zinc/98/13/67/509981367.db2.gz YSLQOHAXHIHHRC-OAHLLOKOSA-N 1 2 357.458 2.950 40 0 FFABLO O=C(Cc1cccs1)N1Cc2c[nH+]cn2[C@H](COCc2cccnc2)C1 ZINC000247864503 510871773 /nfs/dbraw/zinc/87/17/73/510871773.db2.gz NYZCQFPNSGKKJL-KRWDZBQOSA-N 1 2 368.462 2.682 40 0 FFABLO Cc1ncsc1C[NH+]1CC2(C1)OCC[C@H]2COCc1cccc(C)n1 ZINC000247864904 510871794 /nfs/dbraw/zinc/87/17/94/510871794.db2.gz IDZZPYGGDBDZLP-INIZCTEOSA-N 1 2 359.495 2.963 40 0 FFABLO O=C(NCC[C@H]1C[N@H+](Cc2cccs2)Cc2ccnn21)c1ccco1 ZINC000585112217 518544708 /nfs/dbraw/zinc/54/47/08/518544708.db2.gz LNUDTVYRNGEFLE-AWEZNQCLSA-N 1 2 356.451 2.915 40 0 FFABLO O=C(NCC[C@H]1C[N@@H+](Cc2cccs2)Cc2ccnn21)c1ccco1 ZINC000585112217 518544713 /nfs/dbraw/zinc/54/47/13/518544713.db2.gz LNUDTVYRNGEFLE-AWEZNQCLSA-N 1 2 356.451 2.915 40 0 FFABLO Cc1cc(-c2cnc(NCC[NH+]3CCOCC3)nc2-c2ccoc2C)on1 ZINC000072396562 205527270 /nfs/dbraw/zinc/52/72/70/205527270.db2.gz UMKGQSLAVCBLEG-UHFFFAOYSA-N 1 2 369.425 2.753 40 0 FFABLO CCOc1ccccc1NC(=O)C[N@H+]1[C@@H](C(=O)OC)C[C@@H]2CCCC[C@@H]21 ZINC000195528825 206332783 /nfs/dbraw/zinc/33/27/83/206332783.db2.gz KULDFDXSWYKLOP-BHYGNILZSA-N 1 2 360.454 2.830 40 0 FFABLO CCOc1ccccc1NC(=O)C[N@@H+]1[C@@H](C(=O)OC)C[C@@H]2CCCC[C@@H]21 ZINC000195528825 206332787 /nfs/dbraw/zinc/33/27/87/206332787.db2.gz KULDFDXSWYKLOP-BHYGNILZSA-N 1 2 360.454 2.830 40 0 FFABLO COc1cccc(C[N@@H+]2C[C@@H](F)[C@@H](OCc3nc4cccnc4[nH]3)C2)c1 ZINC000096112146 206536908 /nfs/dbraw/zinc/53/69/08/206536908.db2.gz YGHXYULUEBLNRC-WBVHZDCISA-N 1 2 356.401 2.706 40 0 biogenic,in-vitro FFABLO COc1cccc(C[N@H+]2C[C@@H](F)[C@@H](OCc3nc4cccnc4[nH]3)C2)c1 ZINC000096112146 206536911 /nfs/dbraw/zinc/53/69/11/206536911.db2.gz YGHXYULUEBLNRC-WBVHZDCISA-N 1 2 356.401 2.706 40 0 biogenic,in-vitro FFABLO O=C(COc1ccccc1)N1CC[C@@]2(C1)CCCN(c1cccc[nH+]1)C2 ZINC000096216765 132222598 /nfs/dbraw/zinc/22/25/98/132222598.db2.gz JVVRDKPSSZGCGY-NRFANRHFSA-N 1 2 351.450 2.980 40 0 FFABLO Cc1ccc(C)c(N2C(=O)C[C@@H]([NH+]3CCN(c4ccccc4)CC3)C2=O)c1 ZINC000101274240 132233810 /nfs/dbraw/zinc/23/38/10/132233810.db2.gz DHILOTMOQGBVAM-HXUWFJFHSA-N 1 2 363.461 2.758 40 0 FFABLO CN(C)c1cc(N2CCC[C@@](C)(C(=O)NCc3cccs3)C2)nc[nH+]1 ZINC000257303590 132296655 /nfs/dbraw/zinc/29/66/55/132296655.db2.gz SHWFBALNZBTIES-GOSISDBHSA-N 1 2 359.499 2.527 40 0 FFABLO CN(C)c1cc(N2CCC[C@@](C)(C(=O)NCc3cccs3)C2)[nH+]cn1 ZINC000257303590 132296656 /nfs/dbraw/zinc/29/66/56/132296656.db2.gz SHWFBALNZBTIES-GOSISDBHSA-N 1 2 359.499 2.527 40 0 FFABLO CCC[C@@H](c1nnnn1C[C@@H]1CCCO1)[NH+]1CCN(c2ccccc2)CC1 ZINC000057670298 136130074 /nfs/dbraw/zinc/13/00/74/136130074.db2.gz YTMVMNAFXNQTGJ-OALUTQOASA-N 1 2 370.501 2.516 40 0 FFABLO COc1ccc(CC(=O)N2CC[N@H+](Cc3ccco3)C[C@@H]2C)cc1OC ZINC000019575584 263374004 /nfs/dbraw/zinc/37/40/04/263374004.db2.gz HIHDCCSFTCIQOV-HNNXBMFYSA-N 1 2 358.438 2.572 40 0 FFABLO COc1ccc(CC(=O)N2CC[N@@H+](Cc3ccco3)C[C@@H]2C)cc1OC ZINC000019575584 263374010 /nfs/dbraw/zinc/37/40/10/263374010.db2.gz HIHDCCSFTCIQOV-HNNXBMFYSA-N 1 2 358.438 2.572 40 0 FFABLO CCn1c2ccccc2[nH+]c1N1CCC(C(=O)NCc2ccccn2)CC1 ZINC000012116408 506817907 /nfs/dbraw/zinc/81/79/07/506817907.db2.gz KCCQTJRARDFOSI-UHFFFAOYSA-N 1 2 363.465 2.984 40 0 FFABLO Cc1[nH+]c2ccccc2n1[C@H](C)C(=O)N1CCN(c2nccs2)CC1 ZINC000019286656 507162884 /nfs/dbraw/zinc/16/28/84/507162884.db2.gz WGXLUQOMKYWZOT-CYBMUJFWSA-N 1 2 355.467 2.711 40 0 FFABLO C[C@H]1CCCCN1c1nc2c(c(=O)[nH]1)CC[N@H+](Cc1ccccc1F)C2 ZINC000019496422 507172926 /nfs/dbraw/zinc/17/29/26/507172926.db2.gz VVFQNPOIQYPKJR-AWEZNQCLSA-N 1 2 356.445 2.846 40 0 FFABLO C[C@H]1CCCCN1c1nc2c(c(=O)[nH]1)CC[N@@H+](Cc1ccccc1F)C2 ZINC000019496422 507172929 /nfs/dbraw/zinc/17/29/29/507172929.db2.gz VVFQNPOIQYPKJR-AWEZNQCLSA-N 1 2 356.445 2.846 40 0 FFABLO COc1ccc(S(=O)(=O)NCc2ccccc2-n2cc[nH+]c2)cc1C ZINC000019571464 507181824 /nfs/dbraw/zinc/18/18/24/507181824.db2.gz JCWWXQGCDVJDJK-UHFFFAOYSA-N 1 2 357.435 2.668 40 0 FFABLO Cc1nc(N[C@@H](C[NH+]2CCOCC2)c2ccccc2)cc(-c2cc[nH]n2)n1 ZINC000019656253 507186544 /nfs/dbraw/zinc/18/65/44/507186544.db2.gz QLFGDNIKLIGGHA-IBGZPJMESA-N 1 2 364.453 2.661 40 0 FFABLO O=C(Nc1nc(C[NH+]2CCCCC2)cs1)[C@@H]1COc2ccccc2O1 ZINC000069296913 507460923 /nfs/dbraw/zinc/46/09/23/507460923.db2.gz HXVQJHAQBFCIAW-INIZCTEOSA-N 1 2 359.451 2.908 40 0 FFABLO C[C@@]12CCC(=O)N1[C@@H]1CCCC[C@@H]1[N@@H+]2Cc1ccnc(N2CCCC2)n1 ZINC000072348147 507778241 /nfs/dbraw/zinc/77/82/41/507778241.db2.gz MZVMLDYPOWALEQ-QKLQHJQFSA-N 1 2 355.486 2.542 40 0 FFABLO C[C@@]12CCC(=O)N1[C@@H]1CCCC[C@@H]1[N@H+]2Cc1ccnc(N2CCCC2)n1 ZINC000072348147 507778244 /nfs/dbraw/zinc/77/82/44/507778244.db2.gz MZVMLDYPOWALEQ-QKLQHJQFSA-N 1 2 355.486 2.542 40 0 FFABLO Fc1cccc(C[NH+]2CCN(Cc3ccnc(N4CCCC4)n3)CC2)c1 ZINC000072348135 507778733 /nfs/dbraw/zinc/77/87/33/507778733.db2.gz CNHVQCMMGCOUGR-UHFFFAOYSA-N 1 2 355.461 2.534 40 0 FFABLO CN(C)C(=O)C[N@@H+]1CCC[C@H](c2nccnc2Oc2ccc(F)cc2)C1 ZINC000072362431 507780521 /nfs/dbraw/zinc/78/05/21/507780521.db2.gz YTWOPVOHNBTXMS-AWEZNQCLSA-N 1 2 358.417 2.676 40 0 FFABLO CN(C)C(=O)C[N@H+]1CCC[C@H](c2nccnc2Oc2ccc(F)cc2)C1 ZINC000072362431 507780522 /nfs/dbraw/zinc/78/05/22/507780522.db2.gz YTWOPVOHNBTXMS-AWEZNQCLSA-N 1 2 358.417 2.676 40 0 FFABLO CCOc1ccc([C@H]([NH3+])c2nnc(-c3cccc(OC)c3)[nH]2)cc1OC ZINC000095534234 508197657 /nfs/dbraw/zinc/19/76/57/508197657.db2.gz WFLGEEBUVFNTDF-KRWDZBQOSA-N 1 2 354.410 2.936 40 0 FFABLO Cc1ccc(C[N@@H+]2Cc3nnn(C)c3[C@@H](COCc3ccccn3)C2)s1 ZINC000096060771 508205070 /nfs/dbraw/zinc/20/50/70/508205070.db2.gz OLUQHTDIGIJMGJ-OAHLLOKOSA-N 1 2 369.494 2.896 40 0 FFABLO Cc1ccc(C[N@H+]2Cc3nnn(C)c3[C@@H](COCc3ccccn3)C2)s1 ZINC000096060771 508205071 /nfs/dbraw/zinc/20/50/71/508205071.db2.gz OLUQHTDIGIJMGJ-OAHLLOKOSA-N 1 2 369.494 2.896 40 0 FFABLO Cn1c[nH+]c2c1[C@H](COCc1cccnc1)N(Cc1nccs1)CC2 ZINC000096187724 508210236 /nfs/dbraw/zinc/21/02/36/508210236.db2.gz BHVXULOTKAOEQK-INIZCTEOSA-N 1 2 355.467 2.588 40 0 FFABLO Cc1occc1C(=O)N1Cc2c[nH+]cn2C[C@H](COc2ccccn2)C1 ZINC000096206226 508210260 /nfs/dbraw/zinc/21/02/60/508210260.db2.gz PYZBYDLWLZHLDL-OAHLLOKOSA-N 1 2 352.394 2.531 40 0 FFABLO O=C1CCCN1C[C@@H]1CN(Cc2ccc3ccccc3n2)Cc2c[nH+]cn21 ZINC000247904867 509189066 /nfs/dbraw/zinc/18/90/66/509189066.db2.gz LTHOUXMMIAZYOG-IBGZPJMESA-N 1 2 361.449 2.611 40 0 FFABLO Cc1cc(C(=O)N2Cc3c[nH+]cn3[C@@H](COCc3ccccn3)C2)c(C)o1 ZINC000248004689 509214194 /nfs/dbraw/zinc/21/41/94/509214194.db2.gz GXABGJKSDYGTTR-GOSISDBHSA-N 1 2 366.421 2.902 40 0 FFABLO O=C(c1ccc(NC(=S)NCCCn2cc[nH+]c2)cc1)N1CCCCC1 ZINC000225522184 509376051 /nfs/dbraw/zinc/37/60/51/509376051.db2.gz LDAIPEYJQVLWRU-UHFFFAOYSA-N 1 2 371.510 2.886 40 0 FFABLO Cc1c(C[N@@H+]2CCO[C@@H](c3nccnc3-c3ccccc3F)C2)cnn1C ZINC000257201754 509955047 /nfs/dbraw/zinc/95/50/47/509955047.db2.gz AIXIERZGBPXLCL-GOSISDBHSA-N 1 2 367.428 2.898 40 0 FFABLO Cc1c(C[N@H+]2CCO[C@@H](c3nccnc3-c3ccccc3F)C2)cnn1C ZINC000257201754 509955052 /nfs/dbraw/zinc/95/50/52/509955052.db2.gz AIXIERZGBPXLCL-GOSISDBHSA-N 1 2 367.428 2.898 40 0 FFABLO CN(C)c1cc([C@@H]2CCCN(C(=O)c3ccc4c(c3)OCO4)C2)cc[nH+]1 ZINC000257226238 509959578 /nfs/dbraw/zinc/95/95/78/509959578.db2.gz FJTARONHGSOXPM-MRXNPFEDSA-N 1 2 353.422 2.896 40 0 FFABLO Cc1cc(C)n(-c2ccc(C[N@H+]3CCC[C@@H]3c3nc(N)n(C)n3)cc2)n1 ZINC000283959565 511558092 /nfs/dbraw/zinc/55/80/92/511558092.db2.gz HXGTWRTUMJCWRV-QGZVFWFLSA-N 1 2 351.458 2.537 40 0 FFABLO Cc1cc(C)n(-c2ccc(C[N@@H+]3CCC[C@@H]3c3nc(N)n(C)n3)cc2)n1 ZINC000283959565 511558096 /nfs/dbraw/zinc/55/80/96/511558096.db2.gz HXGTWRTUMJCWRV-QGZVFWFLSA-N 1 2 351.458 2.537 40 0 FFABLO Cc1cc(C[N@H+]2Cc3cccn3[C@@H](CCOc3ccccn3)C2)n(C)n1 ZINC000306130685 511760650 /nfs/dbraw/zinc/76/06/50/511760650.db2.gz JMXLUNIFMVNSLT-SFHVURJKSA-N 1 2 351.454 2.951 40 0 FFABLO Cc1cc(C[N@@H+]2Cc3cccn3[C@@H](CCOc3ccccn3)C2)n(C)n1 ZINC000306130685 511760653 /nfs/dbraw/zinc/76/06/53/511760653.db2.gz JMXLUNIFMVNSLT-SFHVURJKSA-N 1 2 351.454 2.951 40 0 FFABLO CC(C)[C@@H](CO)Nc1nc(NC[C@H]2CCCO2)cc(-c2ccccc2)[nH+]1 ZINC000328955348 511956217 /nfs/dbraw/zinc/95/62/17/511956217.db2.gz ACGLCHKMLCZZOR-SJLPKXTDSA-N 1 2 356.470 3.163 40 0 FFABLO CNc1nc(NCc2ccccc2Br)cc(-c2cccnc2)[nH+]1 ZINC000329006262 511965728 /nfs/dbraw/zinc/96/57/28/511965728.db2.gz LBKMJNSPQHIECF-UHFFFAOYSA-N 1 2 370.254 2.799 40 0 FFABLO Cc1c(F)cccc1Nc1cc(-c2ccccc2)[nH+]c(N[C@H](C)CO)n1 ZINC000329064239 511977281 /nfs/dbraw/zinc/97/72/81/511977281.db2.gz XIEOCNLPVPYZFZ-CYBMUJFWSA-N 1 2 352.413 2.971 40 0 FFABLO C[C@@H]1c2ncc(CCOc3cc[nH+]cc3)n2CCN1C(=O)c1ccoc1 ZINC000585097148 518533278 /nfs/dbraw/zinc/53/32/78/518533278.db2.gz GEJIRTINFZIYLY-CQSZACIVSA-N 1 2 352.394 2.710 40 0 FFABLO Cn1cccc1C(=O)N1Cc2c[nH+]cn2CC[C@@H]1COc1ccccc1 ZINC000585097627 518535232 /nfs/dbraw/zinc/53/52/32/518535232.db2.gz OFEOGGMEUUGERD-MRXNPFEDSA-N 1 2 350.422 2.715 40 0 FFABLO Cc1c(CN2CCn3c(CCOCC4CCC4)c[nH+]c3[C@@H]2C)cnn1C ZINC000585098729 518535320 /nfs/dbraw/zinc/53/53/20/518535320.db2.gz YJBKVUNZWDSSIP-INIZCTEOSA-N 1 2 357.502 2.861 40 0 FFABLO COc1cc(C[NH+]2CC3(C2)C[C@H](Oc2ccccn2)CCO3)cc(OC)c1 ZINC000585104634 518538565 /nfs/dbraw/zinc/53/85/65/518538565.db2.gz JSBYLMQTUKLOSM-QGZVFWFLSA-N 1 2 370.449 2.911 40 0 FFABLO COc1ncccc1C[NH+]1CC2(C1)C[C@H](OCc1ccccn1)CS2 ZINC000585105516 518541261 /nfs/dbraw/zinc/54/12/61/518541261.db2.gz YTGIXTUAHFUJRI-KRWDZBQOSA-N 1 2 357.479 2.762 40 0 FFABLO CO[C@@H]1CCN(C(=O)c2nc3c(o2)CC[N@@H+]([C@@H](C)c2ccccc2)C3)C1 ZINC000585111498 518544592 /nfs/dbraw/zinc/54/45/92/518544592.db2.gz BWCJKNCIBRVTBE-GOEBONIOSA-N 1 2 355.438 2.655 40 0 FFABLO CO[C@@H]1CCN(C(=O)c2nc3c(o2)CC[N@H+]([C@@H](C)c2ccccc2)C3)C1 ZINC000585111498 518544594 /nfs/dbraw/zinc/54/45/94/518544594.db2.gz BWCJKNCIBRVTBE-GOEBONIOSA-N 1 2 355.438 2.655 40 0 FFABLO S=C(N[C@@H]1C[C@H]2CC[C@@H]1C2)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000020493956 526385506 /nfs/dbraw/zinc/38/55/06/526385506.db2.gz DSTYRSYHTVOIEM-USXIJHARSA-N 1 2 373.522 2.596 40 0 FFABLO Cc1cn2c([nH+]1)[C@@H](CNC(=O)NC[C@@H]1Cc3ccccc3CO1)CCC2 ZINC000685939078 568430193 /nfs/dbraw/zinc/43/01/93/568430193.db2.gz WYNGRCXXHPFKMT-AEFFLSMTSA-N 1 2 354.454 2.510 40 0 FFABLO CCc1nn2c(ncc(C(=O)N3CC[NH+](C)CC3)c2C)c1-c1ccccc1 ZINC000038829695 205042565 /nfs/dbraw/zinc/04/25/65/205042565.db2.gz SBBRNKINXRFJHL-UHFFFAOYSA-N 1 2 363.465 2.655 40 0 FFABLO CCn1c2ccccc2[nH+]c1N1CCN(C(=S)NCc2ccco2)CC1 ZINC000001370943 206149727 /nfs/dbraw/zinc/14/97/27/206149727.db2.gz MIYYUMZLIRHICV-UHFFFAOYSA-N 1 2 369.494 2.846 40 0 FFABLO O=C(NCCOc1ccccc1Cl)c1cccc(C[NH+]2CCOCC2)c1 ZINC000164214543 206236308 /nfs/dbraw/zinc/23/63/08/206236308.db2.gz KKOYKFGKJRPWMR-UHFFFAOYSA-N 1 2 374.868 2.981 40 0 FFABLO C[N@@H+]1C[C@@H](NC(=O)Nc2ccccc2)C[C@H]1c1nc(-c2ccncc2)no1 ZINC000012529842 206291438 /nfs/dbraw/zinc/29/14/38/206291438.db2.gz QDYKYQHDHWMNMS-HOTGVXAUSA-N 1 2 364.409 2.699 40 0 biogenic,in-vitro FFABLO C[N@H+]1C[C@@H](NC(=O)Nc2ccccc2)C[C@H]1c1nc(-c2ccncc2)no1 ZINC000012529842 206291442 /nfs/dbraw/zinc/29/14/42/206291442.db2.gz QDYKYQHDHWMNMS-HOTGVXAUSA-N 1 2 364.409 2.699 40 0 biogenic,in-vitro FFABLO CCO[C@](C)(C(=O)Nc1ccc(OCC[NH+]2CCOCC2)cc1)C1CC1 ZINC000225723345 206495507 /nfs/dbraw/zinc/49/55/07/206495507.db2.gz OXMDEVGMEQOWBN-FQEVSTJZSA-N 1 2 362.470 2.541 40 0 FFABLO Cc1[nH+]cc(-c2cncc([C@H]3CCCN(C(=O)c4ccccn4)C3)n2)n1C ZINC000257280318 206614884 /nfs/dbraw/zinc/61/48/84/206614884.db2.gz OKJOAGXWXNROGQ-HNNXBMFYSA-N 1 2 362.437 2.600 40 0 FFABLO CC(C)[C@@H](CO)Nc1cc(N2CCc3cc(C(C)(C)O)ccc3C2)nc[nH+]1 ZINC000328968406 132371937 /nfs/dbraw/zinc/37/19/37/132371937.db2.gz CYLCFYYUOSASJD-GOSISDBHSA-N 1 2 370.497 2.696 40 0 FFABLO CC(C)[C@@H](CO)Nc1cc(N2CCc3cc(C(C)(C)O)ccc3C2)[nH+]cn1 ZINC000328968406 132371938 /nfs/dbraw/zinc/37/19/38/132371938.db2.gz CYLCFYYUOSASJD-GOSISDBHSA-N 1 2 370.497 2.696 40 0 FFABLO COc1ccc(CC(=O)N2CC[N@H+](Cc3ccco3)C[C@H]2C)cc1OC ZINC000019574542 263374948 /nfs/dbraw/zinc/37/49/48/263374948.db2.gz HIHDCCSFTCIQOV-OAHLLOKOSA-N 1 2 358.438 2.572 40 0 FFABLO COc1ccc(CC(=O)N2CC[N@@H+](Cc3ccco3)C[C@H]2C)cc1OC ZINC000019574542 263374952 /nfs/dbraw/zinc/37/49/52/263374952.db2.gz HIHDCCSFTCIQOV-OAHLLOKOSA-N 1 2 358.438 2.572 40 0 FFABLO Clc1cnn(Cc2ccc(-c3[nH]n4cnc5nncc-5c4[nH+]3)cc2)c1 ZINC000006448231 506483164 /nfs/dbraw/zinc/48/31/64/506483164.db2.gz SVFCKINXPOKDAG-UHFFFAOYSA-N 1 2 350.773 2.566 40 0 FFABLO O=C(CCCn1cc[nH+]c1)N1Cc2ccccc2OC2(CCOCC2)C1 ZINC000012087313 506814276 /nfs/dbraw/zinc/81/42/76/506814276.db2.gz XWIYIDLKDPVVAI-UHFFFAOYSA-N 1 2 355.438 2.634 40 0 FFABLO C[N@@H+]1CCc2nc(N)c(C(=O)N3CCC(Cc4ccccc4)CC3)cc2C1 ZINC000019700548 507192022 /nfs/dbraw/zinc/19/20/22/507192022.db2.gz XRXHAAGHNNQLSR-UHFFFAOYSA-N 1 2 364.493 2.747 40 0 FFABLO C[N@H+]1CCc2nc(N)c(C(=O)N3CCC(Cc4ccccc4)CC3)cc2C1 ZINC000019700548 507192032 /nfs/dbraw/zinc/19/20/32/507192032.db2.gz XRXHAAGHNNQLSR-UHFFFAOYSA-N 1 2 364.493 2.747 40 0 FFABLO Cn1cc(C[N@@H+]2CCO[C@@](C)(C(=O)NC3CCCC3)C2)c2cc(F)ccc21 ZINC000019746946 507199436 /nfs/dbraw/zinc/19/94/36/507199436.db2.gz HCPBHDMLBKTAFW-OAQYLSRUSA-N 1 2 373.472 2.967 40 0 FFABLO Cn1cc(C[N@H+]2CCO[C@@](C)(C(=O)NC3CCCC3)C2)c2cc(F)ccc21 ZINC000019746946 507199439 /nfs/dbraw/zinc/19/94/39/507199439.db2.gz HCPBHDMLBKTAFW-OAQYLSRUSA-N 1 2 373.472 2.967 40 0 FFABLO CC(=O)N1CCCC[C@H]1c1nc2c(c(N3CCCCC3)n1)C[N@H+](C)CC2 ZINC000019752365 507199962 /nfs/dbraw/zinc/19/99/62/507199962.db2.gz RZWKXOQOCQKSPY-SFHVURJKSA-N 1 2 357.502 2.528 40 0 FFABLO CC(=O)N1CCCC[C@H]1c1nc2c(c(N3CCCCC3)n1)C[N@@H+](C)CC2 ZINC000019752365 507199965 /nfs/dbraw/zinc/19/99/65/507199965.db2.gz RZWKXOQOCQKSPY-SFHVURJKSA-N 1 2 357.502 2.528 40 0 FFABLO CCn1c2ccccc2[nH+]c1N1CCC(C(=O)NC[C@H]2CCCO2)CC1 ZINC000072347652 507777895 /nfs/dbraw/zinc/77/78/95/507777895.db2.gz INJXIDAKSCVLJO-MRXNPFEDSA-N 1 2 356.470 2.568 40 0 FFABLO O=C(Cc1ccc(F)cc1)N1CCC[C@H](c2nccnc2-n2cc[nH+]c2)C1 ZINC000072350661 507779311 /nfs/dbraw/zinc/77/93/11/507779311.db2.gz RBZIWNJFAPIWDR-INIZCTEOSA-N 1 2 365.412 2.750 40 0 FFABLO COCCCNC(=O)[C@H]1c2c([nH+]cn2C(C)C)CCN1Cc1ccccc1 ZINC000096037522 508202889 /nfs/dbraw/zinc/20/28/89/508202889.db2.gz MKKHUUUARRIMAA-HXUWFJFHSA-N 1 2 370.497 2.716 40 0 FFABLO COc1cccc(NC(=O)N2CCC3(CC2)c2[nH+]cc(C)n2CCN3C)c1 ZINC000096144968 508208272 /nfs/dbraw/zinc/20/82/72/508208272.db2.gz UPQWLTSFMHSSDK-UHFFFAOYSA-N 1 2 369.469 2.669 40 0 FFABLO Cc1ccc(C(=O)N2Cc3c[nH+]cn3C[C@H](COCC3CCC3)C2)cn1 ZINC000096208089 508210438 /nfs/dbraw/zinc/21/04/38/508210438.db2.gz INJNZNFXGQUAKA-QGZVFWFLSA-N 1 2 354.454 2.675 40 0 FFABLO CCOC[C@@H]1Cn2c[nH+]cc2CN(C(=O)c2cn(C)c3ccccc23)C1 ZINC000096208165 508210541 /nfs/dbraw/zinc/21/05/41/508210541.db2.gz KIJRKWMHYJHMLN-HNNXBMFYSA-N 1 2 352.438 2.684 40 0 FFABLO O=C(Cc1cccs1)N1CCC2(C[C@H](Nc3cccc[nH+]3)CO2)CC1 ZINC000096221359 508210939 /nfs/dbraw/zinc/21/09/39/508210939.db2.gz NQGKRBCHRKTHCP-HNNXBMFYSA-N 1 2 357.479 2.948 40 0 FFABLO C[C@H](CNC(=O)C1=NO[C@@]2(CC[N@H+](Cc3ccoc3)C2)C1)c1ccccc1 ZINC000096225707 508211065 /nfs/dbraw/zinc/21/10/65/508211065.db2.gz YBHZOCCRHFCMBX-IERDGZPVSA-N 1 2 367.449 2.920 40 0 FFABLO C[C@H](CNC(=O)C1=NO[C@@]2(CC[N@@H+](Cc3ccoc3)C2)C1)c1ccccc1 ZINC000096225707 508211068 /nfs/dbraw/zinc/21/10/68/508211068.db2.gz YBHZOCCRHFCMBX-IERDGZPVSA-N 1 2 367.449 2.920 40 0 FFABLO Cc1ccc(C(=O)N2CC3(C2)OCC[C@@H]3CCNc2cccc[nH+]2)cn1 ZINC000248114624 509236304 /nfs/dbraw/zinc/23/63/04/509236304.db2.gz RUIKYVUEJANTKV-KRWDZBQOSA-N 1 2 352.438 2.518 40 0 FFABLO Cc1ccc(OCCNC(=O)c2cccc(C[NH+]3CCOCC3)c2)c(C)c1 ZINC000224345257 509357606 /nfs/dbraw/zinc/35/76/06/509357606.db2.gz XCHCDGHXZNPMTE-UHFFFAOYSA-N 1 2 368.477 2.944 40 0 FFABLO COc1cccc(C[NH+]2CC3(C2)OCC[C@H]3CCNc2ncc(C)cn2)c1 ZINC000253600197 509901649 /nfs/dbraw/zinc/90/16/49/509901649.db2.gz HVFSBRCYHKFBQJ-GOSISDBHSA-N 1 2 368.481 2.887 40 0 FFABLO Cc1nc(Nc2ncccn2)cc([C@H]2CCCC[N@H+]2Cc2cn(C)cn2)n1 ZINC000257207736 509957937 /nfs/dbraw/zinc/95/79/37/509957937.db2.gz BIZTWLNTQUNPLW-QGZVFWFLSA-N 1 2 364.457 2.779 40 0 FFABLO Cc1nc(Nc2ncccn2)cc([C@H]2CCCC[N@@H+]2Cc2cn(C)cn2)n1 ZINC000257207736 509957945 /nfs/dbraw/zinc/95/79/45/509957945.db2.gz BIZTWLNTQUNPLW-QGZVFWFLSA-N 1 2 364.457 2.779 40 0 FFABLO Cc1nc(Nc2ncccn2)cc([C@H]2CCCCN2Cc2cn(C)c[nH+]2)n1 ZINC000257207736 509957949 /nfs/dbraw/zinc/95/79/49/509957949.db2.gz BIZTWLNTQUNPLW-QGZVFWFLSA-N 1 2 364.457 2.779 40 0 FFABLO CNc1cc([C@@H]2CCC[N@@H+]2Cc2ccnc(N3CCCC3)n2)nc(C)n1 ZINC000257274250 509970064 /nfs/dbraw/zinc/97/00/64/509970064.db2.gz NKEWEWPJGDAMRE-KRWDZBQOSA-N 1 2 353.474 2.554 40 0 FFABLO CNc1cc([C@@H]2CCC[N@H+]2Cc2ccnc(N3CCCC3)n2)nc(C)n1 ZINC000257274250 509970068 /nfs/dbraw/zinc/97/00/68/509970068.db2.gz NKEWEWPJGDAMRE-KRWDZBQOSA-N 1 2 353.474 2.554 40 0 FFABLO Cc1ccc(NC(=O)C[N@@H+]2CC[C@H](Oc3ccccc3)[C@@](C)(O)C2)cc1 ZINC000257297485 509975230 /nfs/dbraw/zinc/97/52/30/509975230.db2.gz RHLABMGKHQPGPK-FPOVZHCZSA-N 1 2 354.450 2.838 40 0 FFABLO Cc1ccc(NC(=O)C[N@H+]2CC[C@H](Oc3ccccc3)[C@@](C)(O)C2)cc1 ZINC000257297485 509975234 /nfs/dbraw/zinc/97/52/34/509975234.db2.gz RHLABMGKHQPGPK-FPOVZHCZSA-N 1 2 354.450 2.838 40 0 FFABLO COc1ccc([C@@H]2Cn3cc[nH+]c3CN2C(=O)c2c(C)noc2C)cc1 ZINC000257295270 509975257 /nfs/dbraw/zinc/97/52/57/509975257.db2.gz QXQSAVSILAIUSL-INIZCTEOSA-N 1 2 352.394 2.894 40 0 FFABLO Cc1nc(CC(=O)N2CCC3(CC(Nc4cc(C)[nH+]cn4)C3)C2)cs1 ZINC000257313055 509977052 /nfs/dbraw/zinc/97/70/52/509977052.db2.gz UQUQIQLRADEYRU-UHFFFAOYSA-N 1 2 357.483 2.586 40 0 FFABLO COc1ncccc1C[NH+]1CC2(C1)C[C@H](Oc1ncccc1F)CS2 ZINC000247819496 510871223 /nfs/dbraw/zinc/87/12/23/510871223.db2.gz CMVLWMOKZYYMRB-AWEZNQCLSA-N 1 2 361.442 2.763 40 0 FFABLO Cc1ccc(CC(=O)N2C[C@H]3OC[C@@H](CNc4cccc[nH+]4)[C@H]3C2)cc1 ZINC000306137855 511761968 /nfs/dbraw/zinc/76/19/68/511761968.db2.gz RIHITCYIFFLGFR-GUDVDZBRSA-N 1 2 351.450 2.518 40 0 FFABLO c1cc(-c2cc(NC[C@H]3CCCO3)nc(NC3CCCCC3)[nH+]2)ccn1 ZINC000329014766 511966464 /nfs/dbraw/zinc/96/64/64/511966464.db2.gz MXWXOVJMMXMRQI-QGZVFWFLSA-N 1 2 353.470 2.718 40 0 FFABLO C[C@H](CO)Nc1nc(Nc2cc(Cl)c(O)c(Cl)c2)cc(C2CC2)[nH+]1 ZINC000329034848 511970568 /nfs/dbraw/zinc/97/05/68/511970568.db2.gz RBCSHCRHRRHSGY-MRVPVSSYSA-N 1 2 369.252 2.747 40 0 FFABLO CCOCCc1c[nH+]c2n1CCN(C(=O)COc1ccccc1C)[C@@H]2C ZINC000585098248 518535176 /nfs/dbraw/zinc/53/51/76/518535176.db2.gz SMQROTJGKWKFHY-MRXNPFEDSA-N 1 2 357.454 2.753 40 0 FFABLO Cc1ccc(S(=O)(=O)CC[NH+]2CCC(O)(c3ccccc3)CC2)cc1 ZINC000006213950 204241003 /nfs/dbraw/zinc/24/10/03/204241003.db2.gz NQXORRYTBQAKSN-UHFFFAOYSA-N 1 2 359.491 2.752 40 0 FFABLO CCn1cc(C[NH+]2CCN(C(=O)c3cc4c(cccc4F)[nH]3)CC2)c(C)n1 ZINC000019524576 204687540 /nfs/dbraw/zinc/68/75/40/204687540.db2.gz OUEONIBIFNJDCU-UHFFFAOYSA-N 1 2 369.444 2.790 40 0 FFABLO Cc1ccc(C)c(CC(=O)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)c1 ZINC000044900597 205113450 /nfs/dbraw/zinc/11/34/50/205113450.db2.gz UWHYARHLYKYGKC-UHFFFAOYSA-N 1 2 366.461 2.919 40 0 FFABLO COc1cc(C)c(S(=O)(=O)NCc2ccc(-n3cc[nH+]c3)cc2)cc1C ZINC000066871589 205367139 /nfs/dbraw/zinc/36/71/39/205367139.db2.gz HQQCSXNLGXBEHD-UHFFFAOYSA-N 1 2 371.462 2.976 40 0 FFABLO Cc1cccc(C[NH+]2CC3(C2)OCC[C@@H]3CCOc2ncccc2F)n1 ZINC000247862165 206563909 /nfs/dbraw/zinc/56/39/09/206563909.db2.gz GLXWEOJHLJSGCZ-INIZCTEOSA-N 1 2 357.429 2.984 40 0 FFABLO COc1c(C)c[nH+]c(CN(C)C(=O)Nc2cc([C@@H]3CCCO3)nn2C)c1C ZINC000278622053 256331766 /nfs/dbraw/zinc/33/17/66/256331766.db2.gz BBZNOAMJRYOELP-INIZCTEOSA-N 1 2 373.457 2.956 40 0 FFABLO C[C@H](CO)Nc1cc(N2CCc3cc(OC(F)(F)F)ccc3C2)nc[nH+]1 ZINC000328973182 132372188 /nfs/dbraw/zinc/37/21/88/132372188.db2.gz FACIZMOBUGGEQP-LLVKDONJSA-N 1 2 368.359 2.731 40 0 FFABLO C[C@H](CO)Nc1cc(N2CCc3cc(OC(F)(F)F)ccc3C2)[nH+]cn1 ZINC000328973182 132372189 /nfs/dbraw/zinc/37/21/89/132372189.db2.gz FACIZMOBUGGEQP-LLVKDONJSA-N 1 2 368.359 2.731 40 0 FFABLO CCN(CC)C(=O)[C@H]1CCCN(C(=O)Nc2ccc3c(c2)[nH+]c(C)n3C)C1 ZINC000409149130 263534725 /nfs/dbraw/zinc/53/47/25/263534725.db2.gz XVZUOCLVLOPVIC-HNNXBMFYSA-N 1 2 371.485 2.994 40 0 FFABLO CCOc1cc(C)c(Cl)cc1S(=O)(=O)NCCCn1cc[nH+]c1 ZINC000011613754 506782794 /nfs/dbraw/zinc/78/27/94/506782794.db2.gz CEVUVSFZOGEKQB-UHFFFAOYSA-N 1 2 357.863 2.612 40 0 FFABLO Cc1[nH+]c(C2CCN(C(=O)c3cnc(N(C)C)nc3)CC2)c2sccn12 ZINC000012087538 506813235 /nfs/dbraw/zinc/81/32/35/506813235.db2.gz AFUFNQIBEMEOAD-UHFFFAOYSA-N 1 2 370.482 2.580 40 0 FFABLO CCOCCCNC(=O)[C@H]1CCCN(c2[nH+]c3ccccc3n2CC)C1 ZINC000012145830 506824509 /nfs/dbraw/zinc/82/45/09/506824509.db2.gz KPZLICCTIKSQHL-INIZCTEOSA-N 1 2 358.486 2.815 40 0 FFABLO Cc1[nH+]c([C@@H]2CCCN(C(=O)COC[C@@H]3CCCO3)C2)c2sccn12 ZINC000019240749 507161454 /nfs/dbraw/zinc/16/14/54/507161454.db2.gz ZCYCRAQDOASJFZ-CABCVRRESA-N 1 2 363.483 2.606 40 0 FFABLO CCn1c(C)[nH+]c2cc(NC(=O)Cn3ncc4ccccc4c3=O)ccc21 ZINC000019656511 507185765 /nfs/dbraw/zinc/18/57/65/507185765.db2.gz YNDYSGBDJILXMN-UHFFFAOYSA-N 1 2 361.405 2.713 40 0 FFABLO CCc1[nH+]ccn1-c1cncc([C@@H]2CCCN2C(=O)c2scnc2C)n1 ZINC000072378612 507781220 /nfs/dbraw/zinc/78/12/20/507781220.db2.gz UHTWNQNXICTPLL-AWEZNQCLSA-N 1 2 368.466 2.967 40 0 FFABLO Cc1cc(S(=O)(=O)Nc2cc[nH+]cc2)ccc1I ZINC000072414391 507786216 /nfs/dbraw/zinc/78/62/16/507786216.db2.gz VMXPCZYMEDXJLL-UHFFFAOYSA-N 1 2 374.203 2.795 40 0 FFABLO C[N@@H+](Cc1cn2c(n1)CN(C(=O)c1ccsc1)CC2)Cc1ccco1 ZINC000096059531 508205617 /nfs/dbraw/zinc/20/56/17/508205617.db2.gz ZLUTZDCRLXYDRD-UHFFFAOYSA-N 1 2 356.451 2.826 40 0 FFABLO C[N@H+](Cc1cn2c(n1)CN(C(=O)c1ccsc1)CC2)Cc1ccco1 ZINC000096059531 508205618 /nfs/dbraw/zinc/20/56/18/508205618.db2.gz ZLUTZDCRLXYDRD-UHFFFAOYSA-N 1 2 356.451 2.826 40 0 FFABLO Cc1noc(C)c1C[N@H+]1Cc2cncn2C[C@@H](COc2ccccn2)C1 ZINC000096206485 508210549 /nfs/dbraw/zinc/21/05/49/508210549.db2.gz ILEBRRUTMVMDEU-INIZCTEOSA-N 1 2 353.426 2.594 40 0 FFABLO Cc1noc(C)c1C[N@@H+]1Cc2cncn2C[C@@H](COc2ccccn2)C1 ZINC000096206485 508210553 /nfs/dbraw/zinc/21/05/53/508210553.db2.gz ILEBRRUTMVMDEU-INIZCTEOSA-N 1 2 353.426 2.594 40 0 FFABLO Cc1noc(C)c1CN1Cc2c[nH+]cn2C[C@@H](COc2ccccn2)C1 ZINC000096206485 508210557 /nfs/dbraw/zinc/21/05/57/508210557.db2.gz ILEBRRUTMVMDEU-INIZCTEOSA-N 1 2 353.426 2.594 40 0 FFABLO COc1ccc([C@@H]2CCN(C(=O)N[C@H]3CCN(c4cccc[nH+]4)C3)C2)cc1 ZINC000128667685 508626716 /nfs/dbraw/zinc/62/67/16/508626716.db2.gz LWWTYCMTRVRWLT-MSOLQXFVSA-N 1 2 366.465 2.868 40 0 FFABLO O=C([C@H]1C[N@H+](Cc2ccc3ccccc3n2)Cc2ccnn21)N1CCCC1 ZINC000247895028 509189408 /nfs/dbraw/zinc/18/94/08/509189408.db2.gz ZOUGTXWGYBOWKA-HXUWFJFHSA-N 1 2 361.449 2.611 40 0 FFABLO O=C([C@H]1C[N@@H+](Cc2ccc3ccccc3n2)Cc2ccnn21)N1CCCC1 ZINC000247895028 509189412 /nfs/dbraw/zinc/18/94/12/509189412.db2.gz ZOUGTXWGYBOWKA-HXUWFJFHSA-N 1 2 361.449 2.611 40 0 FFABLO CCc1ccc(C[NH+]2CC3(C2)C[C@H](OCC(=O)N2CCCC2)CCO3)cc1 ZINC000253605890 509902382 /nfs/dbraw/zinc/90/23/82/509902382.db2.gz FMYFNBKATIUYDH-HXUWFJFHSA-N 1 2 372.509 2.621 40 0 FFABLO Cc1cn(C)c([C@@H]2CCCN(C(=O)c3cc(C)nc4onc(C)c43)C2)[nH+]1 ZINC000257266207 509968560 /nfs/dbraw/zinc/96/85/60/509968560.db2.gz MBZRUIVNSORBPE-CQSZACIVSA-N 1 2 353.426 2.901 40 0 FFABLO CC(C)n1cnc2cc(C(=O)N3CC[C@H](O)[C@@H](n4cc[nH+]c4)CC3)ccc21 ZINC000257297878 509975393 /nfs/dbraw/zinc/97/53/93/509975393.db2.gz RJDYKGOYHNFYMI-OALUTQOASA-N 1 2 367.453 2.652 40 0 FFABLO CC1(c2nccs2)CCN(C(=O)c2ccc(-n3cc[nH+]c3)nc2)CC1 ZINC000257292932 509975613 /nfs/dbraw/zinc/97/56/13/509975613.db2.gz QNNCQPWUIOQGBY-UHFFFAOYSA-N 1 2 353.451 2.918 40 0 FFABLO O=C(CC1CC1)NC[C@H]1C[N@H+](Cc2cccc3[nH]ccc32)Cc2cncn21 ZINC000247844102 510871476 /nfs/dbraw/zinc/87/14/76/510871476.db2.gz GKEZJWALCFQSBU-SFHVURJKSA-N 1 2 363.465 2.838 40 0 FFABLO O=C(CC1CC1)NC[C@H]1C[N@@H+](Cc2cccc3[nH]ccc32)Cc2cncn21 ZINC000247844102 510871477 /nfs/dbraw/zinc/87/14/77/510871477.db2.gz GKEZJWALCFQSBU-SFHVURJKSA-N 1 2 363.465 2.838 40 0 FFABLO O=C(CC1CC1)NC[C@H]1CN(Cc2cccc3[nH]ccc32)Cc2c[nH+]cn21 ZINC000247844102 510871478 /nfs/dbraw/zinc/87/14/78/510871478.db2.gz GKEZJWALCFQSBU-SFHVURJKSA-N 1 2 363.465 2.838 40 0 FFABLO Cc1ncsc1C[NH+]1CC2(C1)OCC[C@@H]2COCc1cccc(C)n1 ZINC000247864913 510871824 /nfs/dbraw/zinc/87/18/24/510871824.db2.gz IDZZPYGGDBDZLP-MRXNPFEDSA-N 1 2 359.495 2.963 40 0 FFABLO c1ccc(C[N@@H+]2CCO[C@@H](c3nnn4cc(-c5cccnc5)ccc34)C2)nc1 ZINC000306130562 511759686 /nfs/dbraw/zinc/75/96/86/511759686.db2.gz JJSZUROFDKWONO-HXUWFJFHSA-N 1 2 372.432 2.760 40 0 FFABLO c1ccc(C[N@H+]2CCO[C@@H](c3nnn4cc(-c5cccnc5)ccc34)C2)nc1 ZINC000306130562 511759692 /nfs/dbraw/zinc/75/96/92/511759692.db2.gz JJSZUROFDKWONO-HXUWFJFHSA-N 1 2 372.432 2.760 40 0 FFABLO Cc1cccc(C[NH2+]Cc2nnn3c2C(=O)N(CC2CCCC2)CC3)c1 ZINC000306138009 511762150 /nfs/dbraw/zinc/76/21/50/511762150.db2.gz RMMYSMRGAAZSCX-UHFFFAOYSA-N 1 2 353.470 2.522 40 0 FFABLO Cc1cccc(COC[C@@H]2CN(Cc3nccs3)Cc3c[nH+]cn32)n1 ZINC000306144672 511764552 /nfs/dbraw/zinc/76/45/52/511764552.db2.gz ZLVPNIZXGGEMQD-KRWDZBQOSA-N 1 2 355.467 2.817 40 0 FFABLO Cc1ccc(-c2cc3ccccn3c2C(=O)C(=O)N2CC[NH+](C)CC2)cc1 ZINC000408675619 513091407 /nfs/dbraw/zinc/09/14/07/513091407.db2.gz JUGSNIGHOCTBRY-UHFFFAOYSA-N 1 2 361.445 2.871 40 0 FFABLO O=C(NCC[C@H]1C[N@H+](Cc2cccs2)Cc2ccnn21)c1ccncc1 ZINC000585112608 518543281 /nfs/dbraw/zinc/54/32/81/518543281.db2.gz UEHLJMZRGGSLRY-INIZCTEOSA-N 1 2 367.478 2.717 40 0 FFABLO O=C(NCC[C@H]1C[N@@H+](Cc2cccs2)Cc2ccnn21)c1ccncc1 ZINC000585112608 518543285 /nfs/dbraw/zinc/54/32/85/518543285.db2.gz UEHLJMZRGGSLRY-INIZCTEOSA-N 1 2 367.478 2.717 40 0 FFABLO Cc1ccc(C[N@H+]2Cc3ccnn3[C@H](CNC(=O)N3CCCC3)C2)cc1 ZINC000585113043 518546272 /nfs/dbraw/zinc/54/62/72/518546272.db2.gz XUQVONUCDABYDG-LJQANCHMSA-N 1 2 353.470 2.554 40 0 FFABLO Cc1ccc(C[N@@H+]2Cc3ccnn3[C@H](CNC(=O)N3CCCC3)C2)cc1 ZINC000585113043 518546275 /nfs/dbraw/zinc/54/62/75/518546275.db2.gz XUQVONUCDABYDG-LJQANCHMSA-N 1 2 353.470 2.554 40 0 FFABLO COc1ccccc1CN(C)C(=O)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000044940946 205115936 /nfs/dbraw/zinc/11/59/36/205115936.db2.gz VSENCJCWEXPHQB-UHFFFAOYSA-N 1 2 354.450 2.800 40 0 FFABLO C[C@H](CNC(=O)C1=NO[C@]2(CCN(c3cccc[nH+]3)C2)C1)c1ccccc1 ZINC000096074527 205818848 /nfs/dbraw/zinc/81/88/48/205818848.db2.gz JFAYIWNXFKYPAW-IIBYNOLFSA-N 1 2 364.449 2.727 40 0 FFABLO O=S(=O)(c1ccccc1)N1C[C@H]2C[N@@H+](Cc3cccc(Cl)c3)[C@H]2C1 ZINC000107798129 206023421 /nfs/dbraw/zinc/02/34/21/206023421.db2.gz NJMOORJVHZXUCY-QAPCUYQASA-N 1 2 362.882 2.845 40 0 FFABLO O=S(=O)(c1ccccc1)N1C[C@H]2C[N@H+](Cc3cccc(Cl)c3)[C@H]2C1 ZINC000107798129 206023429 /nfs/dbraw/zinc/02/34/29/206023429.db2.gz NJMOORJVHZXUCY-QAPCUYQASA-N 1 2 362.882 2.845 40 0 FFABLO CN(C[C@@]1(O)CCCN(c2cccc[nH+]2)C1)C(=O)CCc1cccs1 ZINC000257252201 132295477 /nfs/dbraw/zinc/29/54/77/132295477.db2.gz JTWZTPJGWLRPAX-IBGZPJMESA-N 1 2 359.495 2.566 40 0 FFABLO CCOc1ccccc1N1CC[NH+](CC(=O)N2[C@H](C)CCC[C@H]2C)CC1 ZINC000057712301 136130066 /nfs/dbraw/zinc/13/00/66/136130066.db2.gz LMPXSDBTNYKHJW-QZTJIDSGSA-N 1 2 359.514 2.997 40 0 FFABLO S=C(Nc1ccc2ncncc2c1)N1CCN(c2cccc[nH+]2)CC1 ZINC000033636425 506359287 /nfs/dbraw/zinc/35/92/87/506359287.db2.gz XYAFGXIRENJACT-UHFFFAOYSA-N 1 2 350.451 2.544 40 0 FFABLO Cc1cc(-c2snnc2C2CCN(Cc3c[nH+]c(C)n3C)CC2)on1 ZINC000012126429 506818726 /nfs/dbraw/zinc/81/87/26/506818726.db2.gz VAEZROPRFUXMEF-UHFFFAOYSA-N 1 2 358.471 2.923 40 0 FFABLO CCn1nc(C)c(C[N@H+]2CCc3nc4c(C)csc4c(=O)n3CC2)c1C ZINC000012253473 506841439 /nfs/dbraw/zinc/84/14/39/506841439.db2.gz CXYIDONPQGWNMM-UHFFFAOYSA-N 1 2 371.510 2.658 40 0 FFABLO CCn1nc(C)c(C[N@@H+]2CCc3nc4c(C)csc4c(=O)n3CC2)c1C ZINC000012253473 506841441 /nfs/dbraw/zinc/84/14/41/506841441.db2.gz CXYIDONPQGWNMM-UHFFFAOYSA-N 1 2 371.510 2.658 40 0 FFABLO CCCn1ncc(C[N@H+]2CCc3nc4c(C)csc4c(=O)n3CC2)c1C ZINC000012242249 506841520 /nfs/dbraw/zinc/84/15/20/506841520.db2.gz PAXUBBAPPATDOL-UHFFFAOYSA-N 1 2 371.510 2.740 40 0 FFABLO CCCn1ncc(C[N@@H+]2CCc3nc4c(C)csc4c(=O)n3CC2)c1C ZINC000012242249 506841523 /nfs/dbraw/zinc/84/15/23/506841523.db2.gz PAXUBBAPPATDOL-UHFFFAOYSA-N 1 2 371.510 2.740 40 0 FFABLO COc1cccc(C[N@@H+](Cc2cn(C)nc2C)C[C@H]2CCCO2)c1OC ZINC000019583704 507182611 /nfs/dbraw/zinc/18/26/11/507182611.db2.gz IONCEROULBTICD-GOSISDBHSA-N 1 2 359.470 2.927 40 0 FFABLO COc1cccc(C[N@H+](Cc2cn(C)nc2C)C[C@H]2CCCO2)c1OC ZINC000019583704 507182616 /nfs/dbraw/zinc/18/26/16/507182616.db2.gz IONCEROULBTICD-GOSISDBHSA-N 1 2 359.470 2.927 40 0 FFABLO Cc1nc(N[C@H](C[NH+]2CCOCC2)c2ccccc2)cc(-c2cc[nH]n2)n1 ZINC000019656255 507185542 /nfs/dbraw/zinc/18/55/42/507185542.db2.gz QLFGDNIKLIGGHA-LJQANCHMSA-N 1 2 364.453 2.661 40 0 FFABLO O=C(C[N@@H+]1CCCN(c2ccccn2)CC1)Nc1nc2c(s1)CCCC2 ZINC000019657926 507187477 /nfs/dbraw/zinc/18/74/77/507187477.db2.gz MWXVLKCMMZYMFT-UHFFFAOYSA-N 1 2 371.510 2.568 40 0 FFABLO O=C(C[N@H+]1CCCN(c2ccccn2)CC1)Nc1nc2c(s1)CCCC2 ZINC000019657926 507187491 /nfs/dbraw/zinc/18/74/91/507187491.db2.gz MWXVLKCMMZYMFT-UHFFFAOYSA-N 1 2 371.510 2.568 40 0 FFABLO COc1cccc(OC[C@@H]2CCC[N@H+](CC(=O)Nc3nccs3)C2)c1 ZINC000019657771 507188514 /nfs/dbraw/zinc/18/85/14/507188514.db2.gz NYJCXWONZFNYTH-CQSZACIVSA-N 1 2 361.467 2.881 40 0 FFABLO COc1cccc(OC[C@@H]2CCC[N@@H+](CC(=O)Nc3nccs3)C2)c1 ZINC000019657771 507188521 /nfs/dbraw/zinc/18/85/21/507188521.db2.gz NYJCXWONZFNYTH-CQSZACIVSA-N 1 2 361.467 2.881 40 0 FFABLO CCn1cc(C[N@@H+]2CCO[C@H](c3ccc(-c4cc[nH]n4)cn3)C2)c(C)n1 ZINC000019692507 507190008 /nfs/dbraw/zinc/19/00/08/507190008.db2.gz FJOLZGVBBKYUCS-IBGZPJMESA-N 1 2 352.442 2.570 40 0 FFABLO CCn1cc(C[N@H+]2CCO[C@H](c3ccc(-c4cc[nH]n4)cn3)C2)c(C)n1 ZINC000019692507 507190020 /nfs/dbraw/zinc/19/00/20/507190020.db2.gz FJOLZGVBBKYUCS-IBGZPJMESA-N 1 2 352.442 2.570 40 0 FFABLO CNc1nc([C@@H]2CCCN(C(=O)c3ccccc3)C2)nc2c1C[N@H+](C)CC2 ZINC000019753136 507198772 /nfs/dbraw/zinc/19/87/72/507198772.db2.gz PABDXWRHPBSFFT-MRXNPFEDSA-N 1 2 365.481 2.526 40 0 FFABLO CNc1nc([C@@H]2CCCN(C(=O)c3ccccc3)C2)nc2c1C[N@@H+](C)CC2 ZINC000019753136 507198777 /nfs/dbraw/zinc/19/87/77/507198777.db2.gz PABDXWRHPBSFFT-MRXNPFEDSA-N 1 2 365.481 2.526 40 0 FFABLO COc1ccccc1OCC(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000060387343 507536706 /nfs/dbraw/zinc/53/67/06/507536706.db2.gz WTRAZCPMVPTZRJ-JXMROGBWSA-N 1 2 366.461 2.932 40 0 FFABLO CCCOc1ccc(S(=O)(=O)N2CC[NH+](CC)CC2)cc1OCCC ZINC000072414196 507786190 /nfs/dbraw/zinc/78/61/90/507786190.db2.gz DHDKISKMTHHHPE-UHFFFAOYSA-N 1 2 370.515 2.590 40 0 FFABLO COc1ccc([C@H]([NH3+])c2n[nH]c(CCNc3cccc(OC)c3)n2)cc1 ZINC000095533696 508197650 /nfs/dbraw/zinc/19/76/50/508197650.db2.gz IDBPXGCJVDGKQO-SFHVURJKSA-N 1 2 353.426 2.525 40 0 FFABLO Cc1ccc(C(=O)N2CCn3cc(C[N@H+](C)Cc4ccco4)nc3C2)o1 ZINC000096059535 508205239 /nfs/dbraw/zinc/20/52/39/508205239.db2.gz DVZZGNNIUZLZQP-UHFFFAOYSA-N 1 2 354.410 2.666 40 0 FFABLO Cc1ccc(C(=O)N2CCn3cc(C[N@@H+](C)Cc4ccco4)nc3C2)o1 ZINC000096059535 508205243 /nfs/dbraw/zinc/20/52/43/508205243.db2.gz DVZZGNNIUZLZQP-UHFFFAOYSA-N 1 2 354.410 2.666 40 0 FFABLO COc1ccc(C[N@H+]2Cc3ccnn3[C@@H](CCNC(=O)CC3CC3)C2)cc1 ZINC000247879955 509185559 /nfs/dbraw/zinc/18/55/59/509185559.db2.gz ISCHNWWBAMVMMI-SFHVURJKSA-N 1 2 368.481 2.755 40 0 FFABLO COc1ccc(C[N@@H+]2Cc3ccnn3[C@@H](CCNC(=O)CC3CC3)C2)cc1 ZINC000247879955 509185565 /nfs/dbraw/zinc/18/55/65/509185565.db2.gz ISCHNWWBAMVMMI-SFHVURJKSA-N 1 2 368.481 2.755 40 0 FFABLO Cc1ncsc1C[NH+]1CC2(C1)C[C@@H](CCOc1cnccn1)CCO2 ZINC000248015702 509216569 /nfs/dbraw/zinc/21/65/69/509216569.db2.gz HKGXJMLLXQBEEW-HNNXBMFYSA-N 1 2 360.483 2.692 40 0 FFABLO Cc1cc(C[NH+]2CC3(C2)C[C@@H](OCc2csc(C)n2)CS3)n(C)n1 ZINC000248011704 509216729 /nfs/dbraw/zinc/21/67/29/509216729.db2.gz FCYYQESXBFQPHL-MRXNPFEDSA-N 1 2 364.540 2.770 40 0 FFABLO O=C1CCCN1CC[C@@H]1CCOC12C[NH+](Cc1ccc3ccccc3n1)C2 ZINC000248011072 509216888 /nfs/dbraw/zinc/21/68/88/509216888.db2.gz VTNNLNHXMRPMNP-GOSISDBHSA-N 1 2 365.477 2.838 40 0 FFABLO c1cnc(O[C@@H]2CCOC3(C[NH+](Cc4ccc5ccccc5n4)C3)C2)nc1 ZINC000248334101 509271919 /nfs/dbraw/zinc/27/19/19/509271919.db2.gz LACCFJVCTKORRS-GOSISDBHSA-N 1 2 362.433 2.837 40 0 FFABLO CN(C)c1nc(N(C)C)c(NC(=O)c2ccccc2C(F)(F)F)c[nH+]1 ZINC000224349212 509358011 /nfs/dbraw/zinc/35/80/11/509358011.db2.gz NCSCTXKZGYRUFO-UHFFFAOYSA-N 1 2 353.348 2.880 40 0 FFABLO Cc1ccc(C(=O)NCCCn2cc[nH+]c2)c(I)c1 ZINC000225022851 509362978 /nfs/dbraw/zinc/36/29/78/509362978.db2.gz ZSWMIIJPEHVADG-UHFFFAOYSA-N 1 2 369.206 2.616 40 0 FFABLO Cc1ccsc1C[N@H+]1Cc2ccnn2[C@H](C(=O)NCc2ccccn2)C1 ZINC000253599890 509900848 /nfs/dbraw/zinc/90/08/48/509900848.db2.gz WJBMXYLVKGPZTN-KRWDZBQOSA-N 1 2 367.478 2.521 40 0 FFABLO Cc1ccsc1C[N@@H+]1Cc2ccnn2[C@H](C(=O)NCc2ccccn2)C1 ZINC000253599890 509900854 /nfs/dbraw/zinc/90/08/54/509900854.db2.gz WJBMXYLVKGPZTN-KRWDZBQOSA-N 1 2 367.478 2.521 40 0 FFABLO Cc1ccccc1C[N@@H+]1CCO[C@@H](c2cncc(Nc3ncccn3)n2)C1 ZINC000257214440 509957003 /nfs/dbraw/zinc/95/70/03/509957003.db2.gz CMACXJOLLPEZGG-GOSISDBHSA-N 1 2 362.437 2.892 40 0 FFABLO Cc1ccccc1C[N@H+]1CCO[C@@H](c2cncc(Nc3ncccn3)n2)C1 ZINC000257214440 509957007 /nfs/dbraw/zinc/95/70/07/509957007.db2.gz CMACXJOLLPEZGG-GOSISDBHSA-N 1 2 362.437 2.892 40 0 FFABLO COc1ccccc1[C@H](NC(=O)[C@H]1CC[C@H](OC)CC1)c1[nH+]ccn1C ZINC000257207694 509958064 /nfs/dbraw/zinc/95/80/64/509958064.db2.gz BIUIHUMOJGOABQ-MPGHIAIKSA-N 1 2 357.454 2.840 40 0 FFABLO c1ccc(CC[N@@H+]2CCO[C@@H](c3cncc(Nc4ncccn4)n3)C2)cc1 ZINC000257206002 509958128 /nfs/dbraw/zinc/95/81/28/509958128.db2.gz BBLJTJYBRKDPAE-GOSISDBHSA-N 1 2 362.437 2.626 40 0 FFABLO c1ccc(CC[N@H+]2CCO[C@@H](c3cncc(Nc4ncccn4)n3)C2)cc1 ZINC000257206002 509958140 /nfs/dbraw/zinc/95/81/40/509958140.db2.gz BBLJTJYBRKDPAE-GOSISDBHSA-N 1 2 362.437 2.626 40 0 FFABLO CCCCc1[nH]c(CN2CCC[C@@H]2c2nccc(CNC(C)=O)n2)c[nH+]1 ZINC000257281662 509970250 /nfs/dbraw/zinc/97/02/50/509970250.db2.gz OQJGQWWNHDQORL-QGZVFWFLSA-N 1 2 356.474 2.516 40 0 FFABLO CCCCc1[nH]cc(CN2CCC[C@@H]2c2nccc(CNC(C)=O)n2)[nH+]1 ZINC000257281662 509970258 /nfs/dbraw/zinc/97/02/58/509970258.db2.gz OQJGQWWNHDQORL-QGZVFWFLSA-N 1 2 356.474 2.516 40 0 FFABLO CC(C)c1nc2cc(C(=O)N3CC[C@H](O)[C@@H](n4cc[nH+]c4)CC3)ccc2[nH]1 ZINC000257274326 509971063 /nfs/dbraw/zinc/97/10/63/509971063.db2.gz NKMWRXDLMLTQSC-ROUUACIJSA-N 1 2 367.453 2.721 40 0 FFABLO Cc1[nH+]cc(-c2cncc(C[C@H]3CCN(C(=O)c4cccs4)C3)n2)n1C ZINC000257295810 509974224 /nfs/dbraw/zinc/97/42/24/509974224.db2.gz QZYVAJZLJKLUAD-CQSZACIVSA-N 1 2 367.478 2.952 40 0 FFABLO COc1ccc([C@H]2Cn3cc[nH+]c3CN2C(=O)c2c(C)noc2C)cc1 ZINC000257295271 509974242 /nfs/dbraw/zinc/97/42/42/509974242.db2.gz QXQSAVSILAIUSL-MRXNPFEDSA-N 1 2 352.394 2.894 40 0 FFABLO Cc1[nH+]cc(-c2nccnc2[C@@H]2CCCN(C(=O)c3ccccn3)C2)n1C ZINC000257299588 509974931 /nfs/dbraw/zinc/97/49/31/509974931.db2.gz RQRPFUGKSGNUBC-OAHLLOKOSA-N 1 2 362.437 2.600 40 0 FFABLO COc1cc(CCC(=O)N2Cc3[nH+]ccn3C[C@H]2c2ccccc2)on1 ZINC000257325131 509980061 /nfs/dbraw/zinc/98/00/61/509980061.db2.gz WROZZKHSUTVLPX-INIZCTEOSA-N 1 2 352.394 2.596 40 0 FFABLO CCCn1ccnc1C[NH+]1CCC(c2cc(=O)n3[nH]c(C)cc3n2)CC1 ZINC000257318374 509980170 /nfs/dbraw/zinc/98/01/70/509980170.db2.gz VNQCSOBSEMTAOK-UHFFFAOYSA-N 1 2 354.458 2.729 40 0 FFABLO CNc1[nH+]c([C@@H]2CCN(C(=O)c3ccc4[nH]cnc4c3)C2)c2sccn12 ZINC000257326880 509980201 /nfs/dbraw/zinc/98/02/01/509980201.db2.gz WYZCQPBOKCIPBC-GFCCVEGCSA-N 1 2 366.450 2.944 40 0 FFABLO Cc1nc(Nc2cnccn2)cc([C@@H]2CCCCN2Cc2[nH]cc[nH+]2)n1 ZINC000257341126 509982242 /nfs/dbraw/zinc/98/22/42/509982242.db2.gz ZIXDQLKIIQMRSD-HNNXBMFYSA-N 1 2 350.430 2.769 40 0 FFABLO COc1cccc(C[N@H+]2Cc3ccnn3[C@@H](CCNC(=O)CC3CC3)C2)c1 ZINC000247870322 510871805 /nfs/dbraw/zinc/87/18/05/510871805.db2.gz CWGPPZLATVDGQG-SFHVURJKSA-N 1 2 368.481 2.755 40 0 FFABLO COc1cccc(C[N@@H+]2Cc3ccnn3[C@@H](CCNC(=O)CC3CC3)C2)c1 ZINC000247870322 510871806 /nfs/dbraw/zinc/87/18/06/510871806.db2.gz CWGPPZLATVDGQG-SFHVURJKSA-N 1 2 368.481 2.755 40 0 FFABLO CCOc1cccc(C(=O)N2C[C@H]3OC[C@H](CNc4cccc[nH+]4)[C@H]3C2)c1 ZINC000306142389 511762492 /nfs/dbraw/zinc/76/24/92/511762492.db2.gz WYIHBXCXBRGLAX-QXAKKESOSA-N 1 2 367.449 2.679 40 0 FFABLO S=C(NCC[NH+]1CCOCC1)c1cccc(OCc2ccccc2)c1 ZINC000408576457 513087533 /nfs/dbraw/zinc/08/75/33/513087533.db2.gz YFIDYEHUTXKYCA-UHFFFAOYSA-N 1 2 356.491 2.863 40 0 FFABLO Cc1cc(CN2CCn3c(CCOc4cccnc4)c[nH+]c3[C@H]2C)no1 ZINC000585098016 518534787 /nfs/dbraw/zinc/53/47/87/518534787.db2.gz QKVATYKLPMSVII-OAHLLOKOSA-N 1 2 353.426 2.773 40 0 FFABLO CCOC[C@@H]1CCn2c[nH+]cc2CN1C(=O)c1cnc2ccccc2c1 ZINC000585097792 518535691 /nfs/dbraw/zinc/53/56/91/518535691.db2.gz PUAVJTFADHZAQI-KRWDZBQOSA-N 1 2 350.422 2.883 40 0 FFABLO COc1ncccc1C[NH+]1CC2(C1)C[C@@H](OCc1cccnc1)CS2 ZINC000585104764 518540572 /nfs/dbraw/zinc/54/05/72/518540572.db2.gz MDAJROGEAUWBGT-QGZVFWFLSA-N 1 2 357.479 2.762 40 0 FFABLO O=C(NCC[C@@H]1C[N@H+](Cc2ccccc2)Cc2ccnn21)c1cccnc1 ZINC000585112486 518543705 /nfs/dbraw/zinc/54/37/05/518543705.db2.gz RXJSPUHMHRXZRR-LJQANCHMSA-N 1 2 361.449 2.655 40 0 FFABLO O=C(NCC[C@@H]1C[N@@H+](Cc2ccccc2)Cc2ccnn21)c1cccnc1 ZINC000585112486 518543713 /nfs/dbraw/zinc/54/37/13/518543713.db2.gz RXJSPUHMHRXZRR-LJQANCHMSA-N 1 2 361.449 2.655 40 0 FFABLO O=C(NCC[C@H]1C[N@H+](Cc2ccsc2)Cc2ccnn21)c1cscn1 ZINC000585112384 518544269 /nfs/dbraw/zinc/54/42/69/518544269.db2.gz ONFUSDJXEOEBCH-AWEZNQCLSA-N 1 2 373.507 2.778 40 0 FFABLO O=C(NCC[C@H]1C[N@@H+](Cc2ccsc2)Cc2ccnn21)c1cscn1 ZINC000585112384 518544276 /nfs/dbraw/zinc/54/42/76/518544276.db2.gz ONFUSDJXEOEBCH-AWEZNQCLSA-N 1 2 373.507 2.778 40 0 FFABLO CO[C@@H]1CN(C(=O)CCCn2cc[nH+]c2)CC[C@@H]1Cc1ccccc1F ZINC000585278412 518553530 /nfs/dbraw/zinc/55/35/30/518553530.db2.gz DLFHXYZIMWJFRY-IEBWSBKVSA-N 1 2 359.445 2.909 40 0 FFABLO Cc1nc(Nc2ccccn2)cc([C@@H]2CCCC[N@H+]2CC(=O)N(C)C)n1 ZINC000072382731 571188442 /nfs/dbraw/zinc/18/84/42/571188442.db2.gz DLPGXISJWFONFH-INIZCTEOSA-N 1 2 354.458 2.539 40 0 FFABLO Cc1nc(Nc2ccccn2)cc([C@@H]2CCCC[N@@H+]2CC(=O)N(C)C)n1 ZINC000072382731 571188443 /nfs/dbraw/zinc/18/84/43/571188443.db2.gz DLPGXISJWFONFH-INIZCTEOSA-N 1 2 354.458 2.539 40 0 FFABLO COc1ccc(OCCNC(=O)c2ccc(Cn3cc[nH+]c3)cc2)cc1 ZINC000107612605 206021096 /nfs/dbraw/zinc/02/10/96/206021096.db2.gz KIRLSWWLOUGHFU-UHFFFAOYSA-N 1 2 351.406 2.749 40 0 FFABLO COc1ccc(C(=O)Nc2c[nH+]c(N3CCCCC3)nc2N(C)C)cc1 ZINC000224355017 132282876 /nfs/dbraw/zinc/28/28/76/132282876.db2.gz AGZZKQCNGFIGFR-UHFFFAOYSA-N 1 2 355.442 2.794 40 0 FFABLO CNC(=O)c1sc2nccnc2c1C1CCN(c2cccc[nH+]2)CC1 ZINC000257205070 132294769 /nfs/dbraw/zinc/29/47/69/132294769.db2.gz AXNPDXKRJYTNJZ-UHFFFAOYSA-N 1 2 353.451 2.830 40 0 FFABLO CC(C)c1noc(CCC(=O)N(C)[C@H]2CCCN(c3cccc[nH+]3)C2)n1 ZINC000257303514 132296754 /nfs/dbraw/zinc/29/67/54/132296754.db2.gz SHNZEQTWNHFSPI-HNNXBMFYSA-N 1 2 357.458 2.648 40 0 FFABLO COc1ccccc1C[N@@H+](Cc1cnc(N(C)C)nc1)C[C@H]1CCCO1 ZINC000012187572 506832392 /nfs/dbraw/zinc/83/23/92/506832392.db2.gz ZFHYYAFSXYHCMC-GOSISDBHSA-N 1 2 356.470 2.732 40 0 FFABLO COc1ccccc1C[N@H+](Cc1cnc(N(C)C)nc1)C[C@H]1CCCO1 ZINC000012187572 506832404 /nfs/dbraw/zinc/83/24/04/506832404.db2.gz ZFHYYAFSXYHCMC-GOSISDBHSA-N 1 2 356.470 2.732 40 0 FFABLO Cc1[nH+]c2ccccc2n1[C@@H](C)C(=O)N1CCN(c2nccs2)CC1 ZINC000019286654 507161967 /nfs/dbraw/zinc/16/19/67/507161967.db2.gz WGXLUQOMKYWZOT-ZDUSSCGKSA-N 1 2 355.467 2.711 40 0 FFABLO COc1cccc(C[N@@H+]2CCC[C@@H](c3ncccc3S(C)(=O)=O)C2)c1 ZINC000019565093 507181928 /nfs/dbraw/zinc/18/19/28/507181928.db2.gz VIDIYKNWXOVBQW-MRXNPFEDSA-N 1 2 360.479 2.873 40 0 FFABLO COc1cccc(C[N@H+]2CCC[C@@H](c3ncccc3S(C)(=O)=O)C2)c1 ZINC000019565093 507181934 /nfs/dbraw/zinc/18/19/34/507181934.db2.gz VIDIYKNWXOVBQW-MRXNPFEDSA-N 1 2 360.479 2.873 40 0 FFABLO Cc1nnc(NC(=O)[C@@H]2CCCN(c3[nH+]c4ccccc4n3C)C2)s1 ZINC000072347662 507777887 /nfs/dbraw/zinc/77/78/87/507777887.db2.gz RIKXUGPWFXZLKI-GFCCVEGCSA-N 1 2 356.455 2.588 40 0 FFABLO CC(=O)N1Cc2cc(C)ccc2OC2(CC[NH+](CC(=O)OC(C)C)CC2)C1 ZINC000072394452 507782061 /nfs/dbraw/zinc/78/20/61/507782061.db2.gz DNWWNSQXBVDMEJ-UHFFFAOYSA-N 1 2 374.481 2.522 40 0 FFABLO CCn1nnc2c1CC[N@H+](CCOc1ccc(Cl)cc1)[C@@H]2COC ZINC000096045331 508203466 /nfs/dbraw/zinc/20/34/66/508203466.db2.gz GJINYFIBVXYUCJ-MRXNPFEDSA-N 1 2 350.850 2.576 40 0 FFABLO CCn1nnc2c1CC[N@@H+](CCOc1ccc(Cl)cc1)[C@@H]2COC ZINC000096045331 508203468 /nfs/dbraw/zinc/20/34/68/508203468.db2.gz GJINYFIBVXYUCJ-MRXNPFEDSA-N 1 2 350.850 2.576 40 0 FFABLO Cc1cccc(C(=O)N2CC[C@@H]([NH+]3CCOCC3)[C@@H]2Cc2ccccc2)n1 ZINC000096061700 508205381 /nfs/dbraw/zinc/20/53/81/508205381.db2.gz BDUNXGJDHZYLDI-RTWAWAEBSA-N 1 2 365.477 2.548 40 0 FFABLO COC[C@@H]1Cn2c[nH+]cc2CN(C(=O)Cc2csc3ccccc23)C1 ZINC000096209292 508210607 /nfs/dbraw/zinc/21/06/07/508210607.db2.gz ROZGGYZRVKWZSG-AWEZNQCLSA-N 1 2 355.463 2.945 40 0 FFABLO COc1ccc(C[N@@H+]2CCc3nc4cc(C5CC5)[nH]n4c(=O)c3C2)cc1 ZINC000100141679 508238433 /nfs/dbraw/zinc/23/84/33/508238433.db2.gz FKJLZYKVOPNQQJ-UHFFFAOYSA-N 1 2 350.422 2.879 40 0 FFABLO COc1ccc(C[N@H+]2CCc3nc4cc(C5CC5)[nH]n4c(=O)c3C2)cc1 ZINC000100141679 508238437 /nfs/dbraw/zinc/23/84/37/508238437.db2.gz FKJLZYKVOPNQQJ-UHFFFAOYSA-N 1 2 350.422 2.879 40 0 FFABLO Nc1ccc(C(=O)Oc2cccc(OC(=O)[C@H]3C=CC([NH3+])=CC3)c2)cc1 ZINC000101005190 508240930 /nfs/dbraw/zinc/24/09/30/508240930.db2.gz XYJRLPHSZUNGAC-AWEZNQCLSA-N 1 2 350.374 2.812 40 0 FFABLO Cn1cccc1C(=O)NCC[C@@H]1C[N@H+](Cc2ccccc2)Cc2ccnn21 ZINC000248081284 509232080 /nfs/dbraw/zinc/23/20/80/509232080.db2.gz AKIFUPDEQABQCR-GOSISDBHSA-N 1 2 363.465 2.599 40 0 FFABLO Cn1cccc1C(=O)NCC[C@@H]1C[N@@H+](Cc2ccccc2)Cc2ccnn21 ZINC000248081284 509232085 /nfs/dbraw/zinc/23/20/85/509232085.db2.gz AKIFUPDEQABQCR-GOSISDBHSA-N 1 2 363.465 2.599 40 0 FFABLO CCO[C@](C)(CC)C(=O)Nc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000225650264 509382597 /nfs/dbraw/zinc/38/25/97/509382597.db2.gz RDCJWIIVFIURIU-LJQANCHMSA-N 1 2 350.459 2.541 40 0 FFABLO CC1(C)CN(C(=O)c2ccccc2)C[C@@H]2C[N@H+](Cc3cccnc3)CCN21 ZINC000253396437 509877601 /nfs/dbraw/zinc/87/76/01/509877601.db2.gz DTWFNHKUCDREIB-FQEVSTJZSA-N 1 2 364.493 2.502 40 0 biogenic,in-vitro FFABLO CC1(C)CN(C(=O)c2ccccc2)C[C@@H]2C[N@@H+](Cc3cccnc3)CCN21 ZINC000253396437 509877608 /nfs/dbraw/zinc/87/76/08/509877608.db2.gz DTWFNHKUCDREIB-FQEVSTJZSA-N 1 2 364.493 2.502 40 0 biogenic,in-vitro FFABLO CC1(C)CN(C(=O)c2ccccc2)C[C@@H]2CN(Cc3cccnc3)CC[N@@H+]21 ZINC000253396437 509877613 /nfs/dbraw/zinc/87/76/13/509877613.db2.gz DTWFNHKUCDREIB-FQEVSTJZSA-N 1 2 364.493 2.502 40 0 biogenic,in-vitro FFABLO CC1(C)CN(C(=O)c2ccccc2)C[C@@H]2CN(Cc3cccnc3)CC[N@H+]21 ZINC000253396437 509877617 /nfs/dbraw/zinc/87/76/17/509877617.db2.gz DTWFNHKUCDREIB-FQEVSTJZSA-N 1 2 364.493 2.502 40 0 biogenic,in-vitro FFABLO c1ccc(CC[N@@H+]2CCO[C@H](c3cncc(Nc4ncccn4)n3)C2)cc1 ZINC000257206003 509958270 /nfs/dbraw/zinc/95/82/70/509958270.db2.gz BBLJTJYBRKDPAE-SFHVURJKSA-N 1 2 362.437 2.626 40 0 FFABLO c1ccc(CC[N@H+]2CCO[C@H](c3cncc(Nc4ncccn4)n3)C2)cc1 ZINC000257206003 509958277 /nfs/dbraw/zinc/95/82/77/509958277.db2.gz BBLJTJYBRKDPAE-SFHVURJKSA-N 1 2 362.437 2.626 40 0 FFABLO O=C(Nc1cnccn1)c1cccc([C@H]2CCC[N@@H+]2Cc2cncs2)n1 ZINC000257222920 509960469 /nfs/dbraw/zinc/96/04/69/509960469.db2.gz DVDYJFSEXZSOQJ-MRXNPFEDSA-N 1 2 366.450 2.918 40 0 FFABLO O=C(Nc1cnccn1)c1cccc([C@H]2CCC[N@H+]2Cc2cncs2)n1 ZINC000257222920 509960473 /nfs/dbraw/zinc/96/04/73/509960473.db2.gz DVDYJFSEXZSOQJ-MRXNPFEDSA-N 1 2 366.450 2.918 40 0 FFABLO Cn1cc(C[N@@H+]2CCO[C@H](c3ccc(Nc4ccccn4)cn3)C2)cn1 ZINC000257231045 509961509 /nfs/dbraw/zinc/96/15/09/509961509.db2.gz GEZFUMPGMPURCD-SFHVURJKSA-N 1 2 350.426 2.527 40 0 FFABLO Cn1cc(C[N@H+]2CCO[C@H](c3ccc(Nc4ccccn4)cn3)C2)cn1 ZINC000257231045 509961517 /nfs/dbraw/zinc/96/15/17/509961517.db2.gz GEZFUMPGMPURCD-SFHVURJKSA-N 1 2 350.426 2.527 40 0 FFABLO Cc1ncc(C[N@@H+]2CCO[C@@H](c3cccc(Nc4cnccn4)n3)C2)s1 ZINC000257234668 509961893 /nfs/dbraw/zinc/96/18/93/509961893.db2.gz GUOODRZJNJMIQW-MRXNPFEDSA-N 1 2 368.466 2.954 40 0 FFABLO Cc1ncc(C[N@H+]2CCO[C@@H](c3cccc(Nc4cnccn4)n3)C2)s1 ZINC000257234668 509961899 /nfs/dbraw/zinc/96/18/99/509961899.db2.gz GUOODRZJNJMIQW-MRXNPFEDSA-N 1 2 368.466 2.954 40 0 FFABLO Cn1cc(C[N@@H+]2CCC[C@@H]2c2cccc(C(=O)Nc3nccs3)n2)cn1 ZINC000257290549 509973054 /nfs/dbraw/zinc/97/30/54/509973054.db2.gz QDKGBYKXZBEYFX-MRXNPFEDSA-N 1 2 368.466 2.861 40 0 FFABLO Cn1cc(C[N@H+]2CCC[C@@H]2c2cccc(C(=O)Nc3nccs3)n2)cn1 ZINC000257290549 509973058 /nfs/dbraw/zinc/97/30/58/509973058.db2.gz QDKGBYKXZBEYFX-MRXNPFEDSA-N 1 2 368.466 2.861 40 0 FFABLO CNc1cc([C@H]2CCCN(C(=O)CCc3nc(C(C)C)no3)C2)cc[nH+]1 ZINC000257300328 509974667 /nfs/dbraw/zinc/97/46/67/509974667.db2.gz RTVMBAHIUZIYPZ-HNNXBMFYSA-N 1 2 357.458 2.969 40 0 FFABLO CC(C)n1cnc2cc(C(=O)N(C)[C@@H]3CC[C@@H](n4cc[nH+]c4)[C@@H]3O)ccc21 ZINC000257325416 509979824 /nfs/dbraw/zinc/97/98/24/509979824.db2.gz WSVXWBVFYQBOTF-GUDVDZBRSA-N 1 2 367.453 2.650 40 0 FFABLO O=S(=O)(c1cccc(F)c1)N1Cc2[nH+]ccn2C[C@H]1c1ccccc1 ZINC000257336661 509981265 /nfs/dbraw/zinc/98/12/65/509981265.db2.gz YPKOGLVXTBOKNP-KRWDZBQOSA-N 1 2 357.410 2.968 40 0 FFABLO Cc1nc(Nc2ncccn2)cc([C@H]2CCCC[N@H+]2Cc2cnn(C)c2)n1 ZINC000257333578 509982139 /nfs/dbraw/zinc/98/21/39/509982139.db2.gz YCDQJHSQCNUCIG-QGZVFWFLSA-N 1 2 364.457 2.779 40 0 FFABLO Cc1nc(Nc2ncccn2)cc([C@H]2CCCC[N@@H+]2Cc2cnn(C)c2)n1 ZINC000257333578 509982146 /nfs/dbraw/zinc/98/21/46/509982146.db2.gz YCDQJHSQCNUCIG-QGZVFWFLSA-N 1 2 364.457 2.779 40 0 FFABLO O=C(NC[C@H]1CN(Cc2ccc3ccccc3n2)Cc2c[nH+]cn21)C1CC1 ZINC000247484040 510862604 /nfs/dbraw/zinc/86/26/04/510862604.db2.gz KAZBEGRJTLZMBE-IBGZPJMESA-N 1 2 361.449 2.514 40 0 FFABLO O=C(NC[C@@H]1CN(Cc2ccc3ccccc3n2)Cc2c[nH+]cn21)C1CC1 ZINC000247484044 510862685 /nfs/dbraw/zinc/86/26/85/510862685.db2.gz KAZBEGRJTLZMBE-LJQANCHMSA-N 1 2 361.449 2.514 40 0 FFABLO CN(C)C(=O)NC[C@H]1C[N@H+](Cc2cccc3ccccc32)Cc2ccnn21 ZINC000306137922 511762312 /nfs/dbraw/zinc/76/23/12/511762312.db2.gz RKDKVZIXAJHVDR-IBGZPJMESA-N 1 2 363.465 2.864 40 0 FFABLO CN(C)C(=O)NC[C@H]1C[N@@H+](Cc2cccc3ccccc32)Cc2ccnn21 ZINC000306137922 511762317 /nfs/dbraw/zinc/76/23/17/511762317.db2.gz RKDKVZIXAJHVDR-IBGZPJMESA-N 1 2 363.465 2.864 40 0 FFABLO Cc1c(F)cccc1Nc1cc(-c2ccccc2)[nH+]c(NCCCO)n1 ZINC000328958992 511956950 /nfs/dbraw/zinc/95/69/50/511956950.db2.gz ASEPZQGFINJPLX-UHFFFAOYSA-N 1 2 352.413 2.973 40 0 FFABLO Cc1ccc(Nc2cc(-c3ccccc3)[nH+]c(N[C@@H](C)CO)n2)cc1F ZINC000329056146 511974333 /nfs/dbraw/zinc/97/43/33/511974333.db2.gz VRRYEDCGDFEWCS-AWEZNQCLSA-N 1 2 352.413 2.971 40 0 FFABLO Cc1c(CN2CCn3c(CCOCC4CCC4)c[nH+]c3[C@H]2C)cnn1C ZINC000585098730 518534953 /nfs/dbraw/zinc/53/49/53/518534953.db2.gz YJBKVUNZWDSSIP-MRXNPFEDSA-N 1 2 357.502 2.861 40 0 FFABLO CO[C@@H]1CCN(C(=O)c2nc3c(o2)CC[N@@H+]([C@H](C)c2ccccc2)C3)C1 ZINC000585111497 518543320 /nfs/dbraw/zinc/54/33/20/518543320.db2.gz BWCJKNCIBRVTBE-GDBMZVCRSA-N 1 2 355.438 2.655 40 0 FFABLO CO[C@@H]1CCN(C(=O)c2nc3c(o2)CC[N@H+]([C@H](C)c2ccccc2)C3)C1 ZINC000585111497 518543334 /nfs/dbraw/zinc/54/33/34/518543334.db2.gz BWCJKNCIBRVTBE-GDBMZVCRSA-N 1 2 355.438 2.655 40 0 FFABLO Cc1ccc(C[N@H+]2Cc3ccnn3[C@H](CNC(=O)N3CCCC3)C2)s1 ZINC000585112497 518544429 /nfs/dbraw/zinc/54/44/29/518544429.db2.gz QDOSEIZKGBCSBA-MRXNPFEDSA-N 1 2 359.499 2.615 40 0 FFABLO Cc1ccc(C[N@@H+]2Cc3ccnn3[C@H](CNC(=O)N3CCCC3)C2)s1 ZINC000585112497 518544436 /nfs/dbraw/zinc/54/44/36/518544436.db2.gz QDOSEIZKGBCSBA-MRXNPFEDSA-N 1 2 359.499 2.615 40 0 FFABLO Cc1ccc2[nH+]cc(-c3cccc([C@H]4CCCN(S(C)(=O)=O)C4)n3)n2c1 ZINC000585262781 518550892 /nfs/dbraw/zinc/55/08/92/518550892.db2.gz FNWUHMYBUQLAFY-HNNXBMFYSA-N 1 2 370.478 2.844 40 0 FFABLO CC[C@@H](C(=O)Nc1c[nH+]c(N2CCOCC2)nc1N(C)C)c1ccccc1 ZINC000224361141 535435432 /nfs/dbraw/zinc/43/54/32/535435432.db2.gz MMEAPYOBNZWQPR-MRXNPFEDSA-N 1 2 369.469 2.512 40 0 FFABLO Cc1csc(Nc2cc([C@@H]3CCCC[N@H+]3CC(=O)N(C)C)nc(C)n2)n1 ZINC000072382739 571188563 /nfs/dbraw/zinc/18/85/63/571188563.db2.gz UFAGRPGEQGFVHN-HNNXBMFYSA-N 1 2 374.514 2.909 40 0 FFABLO Cc1csc(Nc2cc([C@@H]3CCCC[N@@H+]3CC(=O)N(C)C)nc(C)n2)n1 ZINC000072382739 571188565 /nfs/dbraw/zinc/18/85/65/571188565.db2.gz UFAGRPGEQGFVHN-HNNXBMFYSA-N 1 2 374.514 2.909 40 0 FFABLO Cn1cc(C[N@@H+]2CCO[C@H](c3cn4c(cccc4-c4ccncc4)n3)C2)cn1 ZINC000306124668 571213282 /nfs/dbraw/zinc/21/32/82/571213282.db2.gz BWECVPNIJYWWQW-FQEVSTJZSA-N 1 2 374.448 2.703 40 0 FFABLO Cn1cc(C[N@H+]2CCO[C@H](c3cn4c(cccc4-c4ccncc4)n3)C2)cn1 ZINC000306124668 571213285 /nfs/dbraw/zinc/21/32/85/571213285.db2.gz BWECVPNIJYWWQW-FQEVSTJZSA-N 1 2 374.448 2.703 40 0 FFABLO Nc1nc(N)c2cc(S(=O)(=O)c3cccc(C(F)(F)F)c3)ccc2[nH+]1 ZINC000006184632 204239406 /nfs/dbraw/zinc/23/94/06/204239406.db2.gz LMXPIDHKKSVTCS-UHFFFAOYSA-N 1 2 368.340 2.646 40 0 FFABLO C[N@@H+]1C[C@@H](NC(=O)c2ccco2)C[C@H]1c1nc(-c2ccc(F)cc2)no1 ZINC000012529959 206292060 /nfs/dbraw/zinc/29/20/60/206292060.db2.gz VSLVSIYSBFLYTJ-KBPBESRZSA-N 1 2 356.357 2.644 40 0 biogenic,in-vitro FFABLO C[N@H+]1C[C@@H](NC(=O)c2ccco2)C[C@H]1c1nc(-c2ccc(F)cc2)no1 ZINC000012529959 206292064 /nfs/dbraw/zinc/29/20/64/206292064.db2.gz VSLVSIYSBFLYTJ-KBPBESRZSA-N 1 2 356.357 2.644 40 0 biogenic,in-vitro FFABLO CCn1c2ccccc2[nH+]c1N1CCC[C@H](C(=O)NC[C@@H]2CCCO2)C1 ZINC000013566358 206302609 /nfs/dbraw/zinc/30/26/09/206302609.db2.gz GLTPYTMUERUMBP-HOTGVXAUSA-N 1 2 356.470 2.568 40 0 FFABLO CC(C)c1noc(CCC(=O)N(C)[C@@H]2CCCN(c3cccc[nH+]3)C2)n1 ZINC000257303515 132296828 /nfs/dbraw/zinc/29/68/28/132296828.db2.gz SHNZEQTWNHFSPI-OAHLLOKOSA-N 1 2 357.458 2.648 40 0 FFABLO CCc1ccc(N2C(=O)C[C@H]([NH+]3CCN(c4ccccc4)CC3)C2=O)cc1 ZINC000036633939 132939945 /nfs/dbraw/zinc/93/99/45/132939945.db2.gz WPGUMRXYKNBNDY-FQEVSTJZSA-N 1 2 363.461 2.703 40 0 FFABLO C[C@@H]1C[C@@H](C)CN(C(=O)CN2c3ccccc3C3=[NH+]CCCN3C2=O)C1 ZINC000072335729 136144595 /nfs/dbraw/zinc/14/45/95/136144595.db2.gz MIWFWYUQICFDQS-HUUCEWRRSA-N 1 2 354.454 2.583 40 0 FFABLO COC(=O)c1c(NC(=O)COc2ccccc2)sc2c1CC[N@H+](C)C2 ZINC000033677153 263396808 /nfs/dbraw/zinc/39/68/08/263396808.db2.gz ZUAHVUVWOWZRID-UHFFFAOYSA-N 1 2 360.435 2.540 40 0 FFABLO COC(=O)c1c(NC(=O)COc2ccccc2)sc2c1CC[N@@H+](C)C2 ZINC000033677153 263396810 /nfs/dbraw/zinc/39/68/10/263396810.db2.gz ZUAHVUVWOWZRID-UHFFFAOYSA-N 1 2 360.435 2.540 40 0 FFABLO CC[NH+]1CCN(c2ncc3c(n2)C[C@@H](c2cc(F)cc(F)c2)CC3=O)CC1 ZINC000009287278 506687610 /nfs/dbraw/zinc/68/76/10/506687610.db2.gz GOWFHBWVJSWTAT-CQSZACIVSA-N 1 2 372.419 2.809 40 0 FFABLO CCN1c2ncccc2C(=O)NC12CC[NH+](Cc1c(F)cccc1F)CC2 ZINC000012146014 506824571 /nfs/dbraw/zinc/82/45/71/506824571.db2.gz LHNHQYKIWFTTJM-UHFFFAOYSA-N 1 2 372.419 2.922 40 0 FFABLO CCc1cc(=O)n2[nH]c([C@@H]3CC[N@H+](Cc4ccc(OC)cc4)C3)cc2n1 ZINC000012255178 506840959 /nfs/dbraw/zinc/84/09/59/506840959.db2.gz CZVBIZZXTAKSRI-OAHLLOKOSA-N 1 2 352.438 2.995 40 0 FFABLO CCc1cc(=O)n2[nH]c([C@@H]3CC[N@@H+](Cc4ccc(OC)cc4)C3)cc2n1 ZINC000012255178 506840966 /nfs/dbraw/zinc/84/09/66/506840966.db2.gz CZVBIZZXTAKSRI-OAHLLOKOSA-N 1 2 352.438 2.995 40 0 FFABLO COc1cccc(OC)c1C[N@@H+]1CC[C@H](c2cc3nc(C)cc(=O)n3[nH]2)C1 ZINC000013225700 506932172 /nfs/dbraw/zinc/93/21/72/506932172.db2.gz HUCRNQAPUHYVQB-AWEZNQCLSA-N 1 2 368.437 2.750 40 0 FFABLO COc1cccc(OC)c1C[N@H+]1CC[C@H](c2cc3nc(C)cc(=O)n3[nH]2)C1 ZINC000013225700 506932181 /nfs/dbraw/zinc/93/21/81/506932181.db2.gz HUCRNQAPUHYVQB-AWEZNQCLSA-N 1 2 368.437 2.750 40 0 FFABLO CC(C)(C)NC(=O)C[N@@H+]1CCC[C@@H](n2c(=O)oc3ccc(Cl)cc32)C1 ZINC000019083061 507155611 /nfs/dbraw/zinc/15/56/11/507155611.db2.gz IAKVKDHVVJVOBM-CYBMUJFWSA-N 1 2 365.861 2.800 40 0 FFABLO CC(C)(C)NC(=O)C[N@H+]1CCC[C@@H](n2c(=O)oc3ccc(Cl)cc32)C1 ZINC000019083061 507155615 /nfs/dbraw/zinc/15/56/15/507155615.db2.gz IAKVKDHVVJVOBM-CYBMUJFWSA-N 1 2 365.861 2.800 40 0 FFABLO Cc1cc(CCCC(=O)N2CCC[C@H]2c2nnc3n2CC[NH2+]C3)ccc1F ZINC000019705507 507192152 /nfs/dbraw/zinc/19/21/52/507192152.db2.gz NGMQHXVSBJOKEC-KRWDZBQOSA-N 1 2 371.460 2.515 40 0 FFABLO COc1ccc(OC)c(NC(=O)c2cccc(C[NH+]3CCOCC3)c2)c1 ZINC000020043145 507210152 /nfs/dbraw/zinc/21/01/52/507210152.db2.gz ZEWYOEHCUBQYHZ-UHFFFAOYSA-N 1 2 356.422 2.788 40 0 FFABLO C[NH+]1CCN(C(=O)[C@]23CC[C@](C)(c4nc5ccccc5nc42)C3(C)C)CC1 ZINC000020327580 507216920 /nfs/dbraw/zinc/21/69/20/507216920.db2.gz KZHZSMWJRCBHFP-YADHBBJMSA-N 1 2 364.493 2.733 40 0 FFABLO CCNc1nc(N2CC[NH+](C)CC2)nc2c1C(=O)C[C@@H](c1ccccc1)C2 ZINC000020801833 507236387 /nfs/dbraw/zinc/23/63/87/507236387.db2.gz WCWFVSIFYVKWDU-INIZCTEOSA-N 1 2 365.481 2.573 40 0 FFABLO C[C@H]1Cc2cc(S(=O)(=O)N3CC[NH+](Cc4ccccc4)CC3)ccc2N1 ZINC000078404047 507868455 /nfs/dbraw/zinc/86/84/55/507868455.db2.gz DJPPAMBXESVCBZ-INIZCTEOSA-N 1 2 371.506 2.550 40 0 FFABLO COc1cc(-c2nnc([C@@H]([NH3+])c3ccc(C)cc3)[nH]2)cc(OC)c1OC ZINC000095534086 508197697 /nfs/dbraw/zinc/19/76/97/508197697.db2.gz RNOMZKCTKGVMNI-INIZCTEOSA-N 1 2 354.410 2.854 40 0 FFABLO Cc1ncccc1NC(=O)[C@@H]1CC[C@@H]2[C@@H](CC[N@@H+]2Cc2nccs2)O1 ZINC000096040910 508203670 /nfs/dbraw/zinc/20/36/70/508203670.db2.gz ZRAGCHXSBSYBOP-OAGGEKHMSA-N 1 2 358.467 2.607 40 0 FFABLO Cc1ncccc1NC(=O)[C@@H]1CC[C@@H]2[C@@H](CC[N@H+]2Cc2nccs2)O1 ZINC000096040910 508203673 /nfs/dbraw/zinc/20/36/73/508203673.db2.gz ZRAGCHXSBSYBOP-OAGGEKHMSA-N 1 2 358.467 2.607 40 0 FFABLO O=C([C@@H]1C[C@@H]2CC[N@@H+](Cc3ccc(F)c(F)c3)C[C@H]2O1)N1CCCC1 ZINC000096042934 508203787 /nfs/dbraw/zinc/20/37/87/508203787.db2.gz JGAURMKERJKEFQ-JCGIZDLHSA-N 1 2 350.409 2.567 40 0 FFABLO O=C([C@@H]1C[C@@H]2CC[N@H+](Cc3ccc(F)c(F)c3)C[C@H]2O1)N1CCCC1 ZINC000096042934 508203789 /nfs/dbraw/zinc/20/37/89/508203789.db2.gz JGAURMKERJKEFQ-JCGIZDLHSA-N 1 2 350.409 2.567 40 0 FFABLO CCc1ccc(OCCNC(=O)c2cccc(C[NH+]3CCOCC3)c2)cc1 ZINC000224345184 509357568 /nfs/dbraw/zinc/35/75/68/509357568.db2.gz DPTQGZBWOCHZJU-UHFFFAOYSA-N 1 2 368.477 2.890 40 0 FFABLO CCC[C@@](C)(OCC)C(=O)Nc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000225692633 509384163 /nfs/dbraw/zinc/38/41/63/509384163.db2.gz FIRISANEYARTSZ-HXUWFJFHSA-N 1 2 364.486 2.931 40 0 FFABLO COc1ccc(S(=O)(=O)N2CC[NH+](Cc3ccccc3)CC2)c(C)c1C ZINC000225694735 509384323 /nfs/dbraw/zinc/38/43/23/509384323.db2.gz HAESDRRVNYAPAP-UHFFFAOYSA-N 1 2 374.506 2.819 40 0 FFABLO Cc1ccnc(NC(=S)NCc2ccccc2C[NH+]2CCOCC2)c1 ZINC000225778997 509388536 /nfs/dbraw/zinc/38/85/36/509388536.db2.gz VUCIZVUHNYEMSU-UHFFFAOYSA-N 1 2 356.495 2.709 40 0 FFABLO Cc1cn(C)c([C@@H]2CCCN(C(=O)CCn3cnc4ccccc43)C2)[nH+]1 ZINC000257208673 509958388 /nfs/dbraw/zinc/95/83/88/509958388.db2.gz BNDAEHSQGFSGQX-MRXNPFEDSA-N 1 2 351.454 2.875 40 0 FFABLO Cc1cn(C)c([C@H]2CCCN(C(=O)c3cc(-c4cccnc4)n[nH]3)C2)[nH+]1 ZINC000257217665 509960162 /nfs/dbraw/zinc/96/01/62/509960162.db2.gz CZZUWOOCTCORLS-HNNXBMFYSA-N 1 2 350.426 2.533 40 0 FFABLO Cc1cn(C)c([C@@H]2CCCN(C(=O)Cn3c(C)nc4ccccc43)C2)[nH+]1 ZINC000257232437 509961986 /nfs/dbraw/zinc/96/19/86/509961986.db2.gz GKUZKUWQDKMQFD-MRXNPFEDSA-N 1 2 351.454 2.793 40 0 FFABLO O=C(c1ccsc1)N1CCC[C@@H]1c1ccnc(C[NH+]2CCOCC2)c1 ZINC000257250481 509964512 /nfs/dbraw/zinc/96/45/12/509964512.db2.gz JMRRXRBVZIBYHZ-GOSISDBHSA-N 1 2 357.479 2.953 40 0 FFABLO CN(C)c1cc([C@H]2CCCN2C(=O)c2cc3c([nH]c2=O)CCC3)cc[nH+]1 ZINC000257252089 509965698 /nfs/dbraw/zinc/96/56/98/509965698.db2.gz JTNKYHRHIPNHKG-QGZVFWFLSA-N 1 2 352.438 2.714 40 0 FFABLO COc1cccc([C@H]2Cn3c(C)c[nH+]c3CN2C(=O)c2ncoc2C)c1 ZINC000257254704 509966655 /nfs/dbraw/zinc/96/66/55/509966655.db2.gz KEHWUWQCFXKXLY-MRXNPFEDSA-N 1 2 352.394 2.894 40 0 FFABLO O=C(c1cccs1)N1CCC[C@@H]1c1ccnc(C[NH+]2CCOCC2)c1 ZINC000257301765 509975351 /nfs/dbraw/zinc/97/53/51/509975351.db2.gz RZVTYGYKPBCKCS-QGZVFWFLSA-N 1 2 357.479 2.953 40 0 FFABLO CNc1cc([C@@H]2CCCN(C(=O)c3ccc4c(c3)OCCO4)C2)cc[nH+]1 ZINC000257323013 509979799 /nfs/dbraw/zinc/97/97/99/509979799.db2.gz WIJVNOPUEIJGGV-MRXNPFEDSA-N 1 2 353.422 2.914 40 0 FFABLO Cc1cc(C(=O)N2Cc3ccnn3C[C@H](CNc3cccc[nH+]3)C2)c(C)o1 ZINC000247840546 510871404 /nfs/dbraw/zinc/87/14/04/510871404.db2.gz PRGWZNUXKGXOBJ-MRXNPFEDSA-N 1 2 365.437 2.872 40 0 FFABLO c1cncc(-c2ccc3c([C@H]4C[N@H+](Cc5ccncc5)CCO4)nnn3c2)c1 ZINC000306130370 511760861 /nfs/dbraw/zinc/76/08/61/511760861.db2.gz JDXPANIATBXSKE-HXUWFJFHSA-N 1 2 372.432 2.760 40 0 FFABLO c1cncc(-c2ccc3c([C@H]4C[N@@H+](Cc5ccncc5)CCO4)nnn3c2)c1 ZINC000306130370 511760866 /nfs/dbraw/zinc/76/08/66/511760866.db2.gz JDXPANIATBXSKE-HXUWFJFHSA-N 1 2 372.432 2.760 40 0 FFABLO CC(C)[C@H](CO)Nc1nc(NCc2ccco2)cc(-c2cccnc2)[nH+]1 ZINC000328957069 511955371 /nfs/dbraw/zinc/95/53/71/511955371.db2.gz AIZPJNOIZFLLDD-KRWDZBQOSA-N 1 2 353.426 3.173 40 0 FFABLO C[C@@H](CO)Nc1nc(NCc2ccc(F)c(F)c2)cc(-c2ccccc2)[nH+]1 ZINC000328991985 511963056 /nfs/dbraw/zinc/96/30/56/511963056.db2.gz IUNOFGJTOZNZOL-ZDUSSCGKSA-N 1 2 370.403 2.670 40 0 FFABLO OCCCNc1nc(NCc2ccc(F)c(F)c2)cc(-c2ccccc2)[nH+]1 ZINC000329023402 511969258 /nfs/dbraw/zinc/96/92/58/511969258.db2.gz OSSFKXHELRGLOF-UHFFFAOYSA-N 1 2 370.403 2.672 40 0 FFABLO Cc1cc(Nc2cc(C3CC3)[nH+]c(NCCO)n2)ccc1Br ZINC000329070953 511977233 /nfs/dbraw/zinc/97/72/33/511977233.db2.gz ZMCFPTBNWPTVNN-UHFFFAOYSA-N 1 2 363.259 3.573 40 0 FFABLO O=C1CCCN1C[C@H]1CCn2nccc2C[N@H+]1Cc1ccccc1Cl ZINC000585097189 518533557 /nfs/dbraw/zinc/53/35/57/518533557.db2.gz IKEODDCJVSXXGT-MRXNPFEDSA-N 1 2 358.873 2.933 40 0 FFABLO O=C1CCCN1C[C@H]1CCn2nccc2C[N@@H+]1Cc1ccccc1Cl ZINC000585097189 518533565 /nfs/dbraw/zinc/53/35/65/518533565.db2.gz IKEODDCJVSXXGT-MRXNPFEDSA-N 1 2 358.873 2.933 40 0 FFABLO Cn1cnc2c1[C@H](C(=O)NCC1CCC1)C[N@H+](Cc1ccc(F)cc1)C2 ZINC000585110816 518542495 /nfs/dbraw/zinc/54/24/95/518542495.db2.gz KJDQGJQHXKOJQC-QGZVFWFLSA-N 1 2 356.445 2.575 40 0 FFABLO Cn1cnc2c1[C@H](C(=O)NCC1CCC1)C[N@@H+](Cc1ccc(F)cc1)C2 ZINC000585110816 518542504 /nfs/dbraw/zinc/54/25/04/518542504.db2.gz KJDQGJQHXKOJQC-QGZVFWFLSA-N 1 2 356.445 2.575 40 0 FFABLO O=C(NCC[C@@H]1C[N@H+](Cc2ccsc2)Cc2ccnn21)c1cscn1 ZINC000585112386 518544390 /nfs/dbraw/zinc/54/43/90/518544390.db2.gz ONFUSDJXEOEBCH-CQSZACIVSA-N 1 2 373.507 2.778 40 0 FFABLO O=C(NCC[C@@H]1C[N@@H+](Cc2ccsc2)Cc2ccnn21)c1cscn1 ZINC000585112386 518544395 /nfs/dbraw/zinc/54/43/95/518544395.db2.gz ONFUSDJXEOEBCH-CQSZACIVSA-N 1 2 373.507 2.778 40 0 FFABLO c1cc(N2CCOCC2)ccc1Nc1cc(C2CC2)[nH+]c(NC2CC2)n1 ZINC000329002222 571132843 /nfs/dbraw/zinc/13/28/43/571132843.db2.gz KGUPZPJWYPJVGX-UHFFFAOYSA-N 1 2 351.454 3.509 40 0 FFABLO Cc1[nH+]c([C@@]2(C)CCCN(C(=O)c3cncnc3C)C2)c2sccn12 ZINC000257340904 210004058 /nfs/dbraw/zinc/00/40/58/210004058.db2.gz ZIADKUNHOMGHOW-SFHVURJKSA-N 1 2 355.467 2.997 40 0 FFABLO CCOc1ccccc1NC(=O)C[N@H+]1[C@@H](C(=O)OC)C[C@H]2CCCC[C@H]21 ZINC000041624141 209241625 /nfs/dbraw/zinc/24/16/25/209241625.db2.gz KULDFDXSWYKLOP-DJIMGWMZSA-N 1 2 360.454 2.830 40 0 FFABLO CCOc1ccccc1NC(=O)C[N@@H+]1[C@@H](C(=O)OC)C[C@H]2CCCC[C@H]21 ZINC000041624141 209241629 /nfs/dbraw/zinc/24/16/29/209241629.db2.gz KULDFDXSWYKLOP-DJIMGWMZSA-N 1 2 360.454 2.830 40 0 FFABLO O=C(Nc1ccccc1)N1CCCn2nnc(C[NH+]3CCCCC3)c2C1 ZINC000096259592 209146354 /nfs/dbraw/zinc/14/63/54/209146354.db2.gz HSZLHRKPDSOFQO-UHFFFAOYSA-N 1 2 354.458 2.702 40 0 FFABLO CC[NH+]1CCN(c2nc3c(c(NC)n2)C(=O)C[C@H](c2ccccc2)C3)CC1 ZINC000010157664 207296486 /nfs/dbraw/zinc/29/64/86/207296486.db2.gz JPFPKJJYOIKJMP-MRXNPFEDSA-N 1 2 365.481 2.573 40 0 FFABLO CCc1cc(=O)n2[nH]c([C@H]3CC[N@H+](Cc4ccccc4OC)C3)cc2n1 ZINC000012276602 207353792 /nfs/dbraw/zinc/35/37/92/207353792.db2.gz MFIOKANYBOCUQO-AWEZNQCLSA-N 1 2 352.438 2.995 40 0 FFABLO CCc1cc(=O)n2[nH]c([C@H]3CC[N@@H+](Cc4ccccc4OC)C3)cc2n1 ZINC000012276602 207353796 /nfs/dbraw/zinc/35/37/96/207353796.db2.gz MFIOKANYBOCUQO-AWEZNQCLSA-N 1 2 352.438 2.995 40 0 FFABLO C[C@H]1C[C@H](NC(=O)N2CCN(c3cc(F)ccc3F)CC2)c2[nH+]ccn21 ZINC000333053059 258246882 /nfs/dbraw/zinc/24/68/82/258246882.db2.gz BWWDGSRWLDPPNB-WFASDCNBSA-N 1 2 361.396 2.699 40 0 FFABLO CN(C)c1nc(N2CCCCC2)[nH+]cc1NC(=O)c1ccc2c(c1)OCO2 ZINC000224356420 132283316 /nfs/dbraw/zinc/28/33/16/132283316.db2.gz SLUCWJUVWJJQFJ-UHFFFAOYSA-N 1 2 369.425 2.514 40 0 FFABLO CCc1ccccc1N1C(=O)C[C@H]([NH+]2CCN(c3ccccc3)CC2)C1=O ZINC000036633937 506410028 /nfs/dbraw/zinc/41/00/28/506410028.db2.gz AUOAAPNVWVQIRS-FQEVSTJZSA-N 1 2 363.461 2.703 40 0 FFABLO COc1ccc(S(=O)(=O)NCc2ccc(-n3cc[nH+]c3)cc2)cc1C ZINC000066871665 506677746 /nfs/dbraw/zinc/67/77/46/506677746.db2.gz MYYBEPLYFFTHLB-UHFFFAOYSA-N 1 2 357.435 2.668 40 0 FFABLO Cc1ccc([C@H](O)C[NH+]2CCN(C(=O)c3ccccc3F)CC2)c(C)c1 ZINC000019132459 507156133 /nfs/dbraw/zinc/15/61/33/507156133.db2.gz OWNBVAJKZWIWQY-HXUWFJFHSA-N 1 2 356.441 2.934 40 0 FFABLO COC(=O)c1ccc(/C=C2\SC(=O)N(C[NH+]3CCCCC3)C2=O)cc1 ZINC000019202058 507158357 /nfs/dbraw/zinc/15/83/57/507158357.db2.gz WJFALWPSQBCGLO-PTNGSMBKSA-N 1 2 360.435 2.953 40 0 FFABLO Cc1csc2c([C@@H]3CCCN(C(=O)c4ccc(=O)n(C)c4)C3)[nH+]c(C)n12 ZINC000019240435 507161577 /nfs/dbraw/zinc/16/15/77/507161577.db2.gz UGWQCOVMAPSSKE-CQSZACIVSA-N 1 2 370.478 2.731 40 0 FFABLO CCn1ncc(C[N@@H+]2CCc3c(nc4cc(C(C)(C)C)[nH]n4c3=O)C2)c1C ZINC000019523980 507174468 /nfs/dbraw/zinc/17/44/68/507174468.db2.gz XZQVAAPPSGOKEE-UHFFFAOYSA-N 1 2 368.485 2.816 40 0 FFABLO CCn1ncc(C[N@H+]2CCc3c(nc4cc(C(C)(C)C)[nH]n4c3=O)C2)c1C ZINC000019523980 507174473 /nfs/dbraw/zinc/17/44/73/507174473.db2.gz XZQVAAPPSGOKEE-UHFFFAOYSA-N 1 2 368.485 2.816 40 0 FFABLO CN(C)[C@@H](C(=O)N1CC[N@H+](C)C[C@@H]1c1ccccc1)c1ccc(F)cc1 ZINC000019589322 507183081 /nfs/dbraw/zinc/18/30/81/507183081.db2.gz VROCZVPADRQJTR-WOJBJXKFSA-N 1 2 355.457 2.944 40 0 FFABLO CN(C)[C@@H](C(=O)N1CC[N@@H+](C)C[C@@H]1c1ccccc1)c1ccc(F)cc1 ZINC000019589322 507183088 /nfs/dbraw/zinc/18/30/88/507183088.db2.gz VROCZVPADRQJTR-WOJBJXKFSA-N 1 2 355.457 2.944 40 0 FFABLO C[N@@H+]1CCCC[C@H]1c1ncc2c(n1)CCN(C(=O)COc1ccccc1)C2 ZINC000019588910 507183354 /nfs/dbraw/zinc/18/33/54/507183354.db2.gz BIBCLQRWVPXORR-IBGZPJMESA-N 1 2 366.465 2.597 40 0 FFABLO C[N@H+]1CCCC[C@H]1c1ncc2c(n1)CCN(C(=O)COc1ccccc1)C2 ZINC000019588910 507183359 /nfs/dbraw/zinc/18/33/59/507183359.db2.gz BIBCLQRWVPXORR-IBGZPJMESA-N 1 2 366.465 2.597 40 0 FFABLO COc1ccc(OC)c([C@H]2CCC[N@@H+]2CC(=O)Nc2cnn(C)c2C)c1 ZINC000019658919 507188852 /nfs/dbraw/zinc/18/88/52/507188852.db2.gz HLRCVBBFXZOPPM-QGZVFWFLSA-N 1 2 358.442 2.521 40 0 FFABLO COc1ccc(OC)c([C@H]2CCC[N@H+]2CC(=O)Nc2cnn(C)c2C)c1 ZINC000019658919 507188857 /nfs/dbraw/zinc/18/88/57/507188857.db2.gz HLRCVBBFXZOPPM-QGZVFWFLSA-N 1 2 358.442 2.521 40 0 FFABLO CNc1nc([C@H]2CCCN(C(=O)c3ccccc3)C2)nc2c1C[N@H+](C)CC2 ZINC000019753138 507199563 /nfs/dbraw/zinc/19/95/63/507199563.db2.gz PABDXWRHPBSFFT-INIZCTEOSA-N 1 2 365.481 2.526 40 0 FFABLO CNc1nc([C@H]2CCCN(C(=O)c3ccccc3)C2)nc2c1C[N@@H+](C)CC2 ZINC000019753138 507199572 /nfs/dbraw/zinc/19/95/72/507199572.db2.gz PABDXWRHPBSFFT-INIZCTEOSA-N 1 2 365.481 2.526 40 0 FFABLO O=C1C=C([NH2+]Nc2nc3ccccc3s2)C(O)N1c1ccc(F)c(F)c1 ZINC000020634727 507229613 /nfs/dbraw/zinc/22/96/13/507229613.db2.gz FAEUFFMQPRHKRU-CYBMUJFWSA-N 1 2 374.372 2.823 40 0 FFABLO [NH2+]=C1S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(OCc2ccccc2)cc1 ZINC000026505358 507593905 /nfs/dbraw/zinc/59/39/05/507593905.db2.gz XOQWRNDFWTZQKF-IRXDYDNUSA-N 1 2 374.487 2.919 40 0 FFABLO CC(C)(C)c1n[nH]cc1C[N@@H+]1CCc2nc(-c3ccccn3)[nH]c(=O)c2C1 ZINC000072339912 507777826 /nfs/dbraw/zinc/77/78/26/507777826.db2.gz SNDOJXJAEDYSLS-UHFFFAOYSA-N 1 2 364.453 2.823 40 0 FFABLO CC(C)(C)c1n[nH]cc1C[N@H+]1CCc2nc(-c3ccccn3)[nH]c(=O)c2C1 ZINC000072339912 507777827 /nfs/dbraw/zinc/77/78/27/507777827.db2.gz SNDOJXJAEDYSLS-UHFFFAOYSA-N 1 2 364.453 2.823 40 0 FFABLO Cc1nnc(NC(=O)[C@H]2CCCN(c3[nH+]c4ccccc4n3C)C2)s1 ZINC000072347663 507778527 /nfs/dbraw/zinc/77/85/27/507778527.db2.gz RIKXUGPWFXZLKI-LBPRGKRZSA-N 1 2 356.455 2.588 40 0 FFABLO CCc1[nH+]ccn1-c1nccnc1[C@H]1CCCN(C(=O)c2cccnc2)C1 ZINC000072350606 507779550 /nfs/dbraw/zinc/77/95/50/507779550.db2.gz GDBPGBYOGOWXLA-INIZCTEOSA-N 1 2 362.437 2.640 40 0 FFABLO Cc1ccc2cc3c(nc2c1C)OC(=O)N(CCC[NH+]1CCOCC1)C3 ZINC000072396341 507782295 /nfs/dbraw/zinc/78/22/95/507782295.db2.gz IZJFMJGVDLMOPM-UHFFFAOYSA-N 1 2 355.438 2.888 40 0 FFABLO COc1cccc(C[N@@H+]2CCc3nc([C@H]4CCCN4C(C)=O)ncc3C2)c1 ZINC000072390828 507782413 /nfs/dbraw/zinc/78/24/13/507782413.db2.gz VRNVRTBPFHZASG-HXUWFJFHSA-N 1 2 366.465 2.727 40 0 FFABLO COc1cccc(C[N@H+]2CCc3nc([C@H]4CCCN4C(C)=O)ncc3C2)c1 ZINC000072390828 507782417 /nfs/dbraw/zinc/78/24/17/507782417.db2.gz VRNVRTBPFHZASG-HXUWFJFHSA-N 1 2 366.465 2.727 40 0 FFABLO CCOc1cc([C@H]([NH3+])c2nc(COc3ccc(F)cc3)n[nH]2)ccc1OC ZINC000095534404 508198016 /nfs/dbraw/zinc/19/80/16/508198016.db2.gz XVFBCWHBCSBRKX-SFHVURJKSA-N 1 2 372.400 2.978 40 0 FFABLO CN(Cc1ccccn1)C(=O)[C@H]1CN(Cc2cccs2)Cc2c[nH+]cn21 ZINC000248111339 509235603 /nfs/dbraw/zinc/23/56/03/509235603.db2.gz KGYHNVKUNOFNHN-GOSISDBHSA-N 1 2 367.478 2.555 40 0 FFABLO O=C(NCCOc1ccccc1Cl)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000223413616 509337457 /nfs/dbraw/zinc/33/74/57/509337457.db2.gz AFZNUOXYXSQWCH-UHFFFAOYSA-N 1 2 374.868 2.981 40 0 FFABLO Cc1ccsc1C[N@H+]1Cc2ccnn2[C@H](CC(=O)N2CCCCO2)C1 ZINC000253599119 509901578 /nfs/dbraw/zinc/90/15/78/509901578.db2.gz LBMJOFFXTNILQC-MRXNPFEDSA-N 1 2 360.483 2.754 40 0 FFABLO Cc1ccsc1C[N@@H+]1Cc2ccnn2[C@H](CC(=O)N2CCCCO2)C1 ZINC000253599119 509901586 /nfs/dbraw/zinc/90/15/86/509901586.db2.gz LBMJOFFXTNILQC-MRXNPFEDSA-N 1 2 360.483 2.754 40 0 FFABLO COc1cccc(C[NH+]2CC3(C2)C[C@H](Oc2cncc(C)n2)CCO3)c1 ZINC000253601191 509903234 /nfs/dbraw/zinc/90/32/34/509903234.db2.gz LNFLUYGTDYSRJM-GOSISDBHSA-N 1 2 355.438 2.606 40 0 FFABLO Cc1nc(Nc2ncccn2)cc([C@@H]2CCCC[N@H+]2Cc2cn(C)cn2)n1 ZINC000257207735 509956898 /nfs/dbraw/zinc/95/68/98/509956898.db2.gz BIZTWLNTQUNPLW-KRWDZBQOSA-N 1 2 364.457 2.779 40 0 FFABLO Cc1nc(Nc2ncccn2)cc([C@@H]2CCCC[N@@H+]2Cc2cn(C)cn2)n1 ZINC000257207735 509956903 /nfs/dbraw/zinc/95/69/03/509956903.db2.gz BIZTWLNTQUNPLW-KRWDZBQOSA-N 1 2 364.457 2.779 40 0 FFABLO Cc1nc(Nc2ncccn2)cc([C@@H]2CCCCN2Cc2cn(C)c[nH+]2)n1 ZINC000257207735 509956906 /nfs/dbraw/zinc/95/69/06/509956906.db2.gz BIZTWLNTQUNPLW-KRWDZBQOSA-N 1 2 364.457 2.779 40 0 FFABLO CCN1C(=O)CC[C@@H](C(=O)NCCc2c[nH+]c[nH]2)[C@@H]1c1cccc(Cl)c1 ZINC000257230193 509960783 /nfs/dbraw/zinc/96/07/83/509960783.db2.gz GBGIWBMHZCUMPK-AEFFLSMTSA-N 1 2 374.872 2.722 40 0 FFABLO CCN1C(=O)CC[C@@H](C(=O)NCCc2c[nH]c[nH+]2)[C@@H]1c1cccc(Cl)c1 ZINC000257230193 509960790 /nfs/dbraw/zinc/96/07/90/509960790.db2.gz GBGIWBMHZCUMPK-AEFFLSMTSA-N 1 2 374.872 2.722 40 0 FFABLO CCCCOc1ccc(NC(=O)C[N@@H+]2C[C@@H](OC)[C@@]3(CCCO3)C2)cc1 ZINC000257241214 509963764 /nfs/dbraw/zinc/96/37/64/509963764.db2.gz HXDYWEHLMOQBGJ-UYAOXDASSA-N 1 2 362.470 2.684 40 0 FFABLO CCCCOc1ccc(NC(=O)C[N@H+]2C[C@@H](OC)[C@@]3(CCCO3)C2)cc1 ZINC000257241214 509963773 /nfs/dbraw/zinc/96/37/73/509963773.db2.gz HXDYWEHLMOQBGJ-UYAOXDASSA-N 1 2 362.470 2.684 40 0 FFABLO O=C(Cc1ccc2c(c1)CCCC2)N1CC[C@H](O)[C@@H](n2cc[nH+]c2)CC1 ZINC000257285104 509972410 /nfs/dbraw/zinc/97/24/10/509972410.db2.gz PFRIYOGMPJEOEU-PMACEKPBSA-N 1 2 353.466 2.529 40 0 FFABLO CNc1cncc([C@H]2CCCN2C(=O)Cn2c(C)[nH+]c3ccccc32)n1 ZINC000257324460 509979315 /nfs/dbraw/zinc/97/93/15/509979315.db2.gz WOTSNECDRHKUBP-QGZVFWFLSA-N 1 2 350.426 2.540 40 0 FFABLO O=C(C[C@H]1C[N@@H+](Cc2ccccc2F)Cc2ccnn21)NCc1ccco1 ZINC000247844225 510871504 /nfs/dbraw/zinc/87/15/04/510871504.db2.gz GLVNQQWVLZWCLZ-KRWDZBQOSA-N 1 2 368.412 2.879 40 0 FFABLO O=C(C[C@H]1C[N@H+](Cc2ccccc2F)Cc2ccnn21)NCc1ccco1 ZINC000247844225 510871505 /nfs/dbraw/zinc/87/15/05/510871505.db2.gz GLVNQQWVLZWCLZ-KRWDZBQOSA-N 1 2 368.412 2.879 40 0 FFABLO CCN(C)C(=O)c1cnn2c1C[N@H+](CC1CCCC1)Cc1cccnc1-2 ZINC000306136675 511760220 /nfs/dbraw/zinc/76/02/20/511760220.db2.gz PZXGKHSNGACBEA-UHFFFAOYSA-N 1 2 353.470 2.865 40 0 FFABLO CCN(C)C(=O)c1cnn2c1C[N@@H+](CC1CCCC1)Cc1cccnc1-2 ZINC000306136675 511760226 /nfs/dbraw/zinc/76/02/26/511760226.db2.gz PZXGKHSNGACBEA-UHFFFAOYSA-N 1 2 353.470 2.865 40 0 FFABLO OCCCNc1nc(Nc2ccc(F)c(F)c2F)cc(-c2ccccc2)[nH+]1 ZINC000328962431 511957680 /nfs/dbraw/zinc/95/76/80/511957680.db2.gz BHVCIURDJJLIIV-UHFFFAOYSA-N 1 2 374.366 2.943 40 0 FFABLO C[C@H](CO)Nc1nc(Nc2c(F)cccc2C(F)(F)F)cc(C2CC2)[nH+]1 ZINC000329026608 511969404 /nfs/dbraw/zinc/96/94/04/511969404.db2.gz PNOWHWLNPFMBOF-SECBINFHSA-N 1 2 370.350 2.892 40 0 FFABLO Cc1c(F)cccc1Nc1cc(-c2ccccc2)[nH+]c(N[C@@H](C)CO)n1 ZINC000329064242 511976247 /nfs/dbraw/zinc/97/62/47/511976247.db2.gz XIEOCNLPVPYZFZ-ZDUSSCGKSA-N 1 2 352.413 2.971 40 0 FFABLO OCCNc1nc(NCc2ccc(Cl)cc2)cc(-c2ccccc2)[nH+]1 ZINC000329069453 511976864 /nfs/dbraw/zinc/97/68/64/511976864.db2.gz YYGGTFXYJBDUCQ-UHFFFAOYSA-N 1 2 354.841 2.657 40 0 FFABLO CC(C)CN1C[C@]2(CC1=O)COCC[N@H+](Cc1cc(F)ccc1F)C2 ZINC000585104216 518539650 /nfs/dbraw/zinc/53/96/50/518539650.db2.gz KYWPTFJPOWHADR-LJQANCHMSA-N 1 2 352.425 2.672 40 0 FFABLO CC(C)CN1C[C@]2(CC1=O)COCC[N@@H+](Cc1cc(F)ccc1F)C2 ZINC000585104216 518539653 /nfs/dbraw/zinc/53/96/53/518539653.db2.gz KYWPTFJPOWHADR-LJQANCHMSA-N 1 2 352.425 2.672 40 0 FFABLO CC(=O)Nc1cccc(-c2c[nH+]c3n2CCN(C(=O)C2(F)CCC2)CC3)c1 ZINC000585111605 518543668 /nfs/dbraw/zinc/54/36/68/518543668.db2.gz XWRWGYOHUGSBHO-UHFFFAOYSA-N 1 2 370.428 2.785 40 0 FFABLO Cc1ccccc1C[N@H+]1Cc2ccnn2[C@@H](CNC(=O)N2CCCC2)C1 ZINC000585112095 518544665 /nfs/dbraw/zinc/54/46/65/518544665.db2.gz LBVJJQCTRPGJDE-IBGZPJMESA-N 1 2 353.470 2.554 40 0 FFABLO Cc1ccccc1C[N@@H+]1Cc2ccnn2[C@@H](CNC(=O)N2CCCC2)C1 ZINC000585112095 518544670 /nfs/dbraw/zinc/54/46/70/518544670.db2.gz LBVJJQCTRPGJDE-IBGZPJMESA-N 1 2 353.470 2.554 40 0 FFABLO Cc1cccc(Nc2cc([C@@H]3CCCC[N@H+]3CC(=O)N(C)C)nc(C)n2)n1 ZINC000072382733 571188476 /nfs/dbraw/zinc/18/84/76/571188476.db2.gz RRDCARJMUZBUDF-KRWDZBQOSA-N 1 2 368.485 2.847 40 0 FFABLO Cc1cccc(Nc2cc([C@@H]3CCCC[N@@H+]3CC(=O)N(C)C)nc(C)n2)n1 ZINC000072382733 571188477 /nfs/dbraw/zinc/18/84/77/571188477.db2.gz RRDCARJMUZBUDF-KRWDZBQOSA-N 1 2 368.485 2.847 40 0 FFABLO Cc1noc(C)c1-c1cc(C2CCN(C(=O)Cn3cc[nH+]c3)CC2)ccn1 ZINC000257311308 209995149 /nfs/dbraw/zinc/99/51/49/209995149.db2.gz UIVWDXDVAXNIGV-UHFFFAOYSA-N 1 2 365.437 2.956 40 0 FFABLO CCOC1(C(=O)Nc2ccc(OCC[NH+]3CCOCC3)cc2)CCCC1 ZINC000225706666 209828886 /nfs/dbraw/zinc/82/88/86/209828886.db2.gz ZOXDZGUHMQDBND-UHFFFAOYSA-N 1 2 362.470 2.685 40 0 FFABLO Cc1cccc(CN2C(=O)CCC23CC[NH+](Cc2nccn2C)CC3)c1 ZINC000096228258 209140973 /nfs/dbraw/zinc/14/09/73/209140973.db2.gz XYGCOIWSTLIKOP-UHFFFAOYSA-N 1 2 352.482 2.886 40 0 FFABLO CCc1ncc(C[N@@H+]2CCc3c(nc4cc(C(C)(C)C)[nH]n4c3=O)C2)cn1 ZINC000012185442 207345681 /nfs/dbraw/zinc/34/56/81/207345681.db2.gz HJWOQWYHMNLBDY-UHFFFAOYSA-N 1 2 366.469 2.643 40 0 FFABLO CCc1ncc(C[N@H+]2CCc3c(nc4cc(C(C)(C)C)[nH]n4c3=O)C2)cn1 ZINC000012185442 207345684 /nfs/dbraw/zinc/34/56/84/207345684.db2.gz HJWOQWYHMNLBDY-UHFFFAOYSA-N 1 2 366.469 2.643 40 0 FFABLO CN1c2ccccc2C[C@H](C(=O)OCC[NH+]2CCOCC2)c2ccccc21 ZINC000033665914 208096789 /nfs/dbraw/zinc/09/67/89/208096789.db2.gz FHJDFHYSUCGJKK-IBGZPJMESA-N 1 2 366.461 2.970 40 0 FFABLO Cc1ccc(C[N@@H+]2Cc3ncn(C)c3[C@@H](COCC3CCOCC3)C2)o1 ZINC000096044977 209100403 /nfs/dbraw/zinc/10/04/03/209100403.db2.gz GDIHGFNDFAOOMT-QGZVFWFLSA-N 1 2 359.470 2.864 40 0 FFABLO Cc1ccc(C[N@H+]2Cc3ncn(C)c3[C@@H](COCC3CCOCC3)C2)o1 ZINC000096044977 209100407 /nfs/dbraw/zinc/10/04/07/209100407.db2.gz GDIHGFNDFAOOMT-QGZVFWFLSA-N 1 2 359.470 2.864 40 0 FFABLO Cc1ccc(CN2Cc3[nH+]cn(C)c3[C@@H](COCC3CCOCC3)C2)o1 ZINC000096044977 209100413 /nfs/dbraw/zinc/10/04/13/209100413.db2.gz GDIHGFNDFAOOMT-QGZVFWFLSA-N 1 2 359.470 2.864 40 0 FFABLO C[C@H]1[C@H](c2ccccc2)CC[N@@H+]1CC1=Nc2ccccc2S(=O)(=O)N1 ZINC000333030712 258245641 /nfs/dbraw/zinc/24/56/41/258245641.db2.gz MBENTFJNOKMBRC-GOEBONIOSA-N 1 2 355.463 2.887 40 0 FFABLO C[C@H]1[C@H](c2ccccc2)CC[N@H+]1CC1=Nc2ccccc2S(=O)(=O)N1 ZINC000333030712 258245642 /nfs/dbraw/zinc/24/56/42/258245642.db2.gz MBENTFJNOKMBRC-GOEBONIOSA-N 1 2 355.463 2.887 40 0 FFABLO Cc1ccc(N2Cc3[nH+]cn(CC4CC4)c3[C@@H](COCC3CC3)C2)nn1 ZINC000096045153 132217300 /nfs/dbraw/zinc/21/73/00/132217300.db2.gz YDUZRWGGSUKURI-QGZVFWFLSA-N 1 2 353.470 2.922 40 0 FFABLO O=C(CN1c2ccccc2C2=[NH+]CCCN2C1=O)NCc1ccccc1F ZINC000012142790 506821063 /nfs/dbraw/zinc/82/10/63/506821063.db2.gz DLWDRWQHJNRNPA-UHFFFAOYSA-N 1 2 366.396 2.534 40 0 FFABLO COc1ccc(C[N@@H+]2CCc3c(nc(N4CCC(C)CC4)[nH]c3=O)C2)cc1 ZINC000012182735 506827438 /nfs/dbraw/zinc/82/74/38/506827438.db2.gz XNPXRTGDFNDWHZ-UHFFFAOYSA-N 1 2 368.481 2.573 40 0 FFABLO COc1ccc(C[N@H+]2CCc3c(nc(N4CCC(C)CC4)[nH]c3=O)C2)cc1 ZINC000012182735 506827448 /nfs/dbraw/zinc/82/74/48/506827448.db2.gz XNPXRTGDFNDWHZ-UHFFFAOYSA-N 1 2 368.481 2.573 40 0 FFABLO COc1ccc(C[N@@H+](Cc2cn(C)nc2C)C[C@@H]2CCCO2)c(OC)c1 ZINC000012187193 506829853 /nfs/dbraw/zinc/82/98/53/506829853.db2.gz KQALLTPDNHXYGZ-IBGZPJMESA-N 1 2 359.470 2.927 40 0 FFABLO COc1ccc(C[N@H+](Cc2cn(C)nc2C)C[C@@H]2CCCO2)c(OC)c1 ZINC000012187193 506829854 /nfs/dbraw/zinc/82/98/54/506829854.db2.gz KQALLTPDNHXYGZ-IBGZPJMESA-N 1 2 359.470 2.927 40 0 FFABLO COc1ccccc1C[N@@H+]1CCc2nc3cc(C4CC4)[nH]n3c(=O)c2C1 ZINC000012666999 506887313 /nfs/dbraw/zinc/88/73/13/506887313.db2.gz PPXSJTDLLXTMJZ-UHFFFAOYSA-N 1 2 350.422 2.879 40 0 FFABLO COc1ccccc1C[N@H+]1CCc2nc3cc(C4CC4)[nH]n3c(=O)c2C1 ZINC000012666999 506887319 /nfs/dbraw/zinc/88/73/19/506887319.db2.gz PPXSJTDLLXTMJZ-UHFFFAOYSA-N 1 2 350.422 2.879 40 0 FFABLO O=C1C[C@@H]([N@H+]2CCCC[C@H]2CCO)C(=O)N1c1cccc(Cl)c1Cl ZINC000017076044 507114827 /nfs/dbraw/zinc/11/48/27/507114827.db2.gz YTUHUIHXPDQNLR-SMDDNHRTSA-N 1 2 371.264 2.862 40 0 FFABLO O=C1C[C@@H]([N@@H+]2CCCC[C@H]2CCO)C(=O)N1c1cccc(Cl)c1Cl ZINC000017076044 507114833 /nfs/dbraw/zinc/11/48/33/507114833.db2.gz YTUHUIHXPDQNLR-SMDDNHRTSA-N 1 2 371.264 2.862 40 0 FFABLO O=C(CSCc1ccc(Cl)cc1Cl)NCC[NH+]1CCOCC1 ZINC000056968407 507134397 /nfs/dbraw/zinc/13/43/97/507134397.db2.gz OMEPEBYQMBVQHZ-UHFFFAOYSA-N 1 2 363.310 2.675 40 0 FFABLO Cc1csc2c(C3CCN(C(=O)C[C@H](C)n4cncn4)CC3)[nH+]c(C)n12 ZINC000019240536 507163258 /nfs/dbraw/zinc/16/32/58/507163258.db2.gz OKULLMBEGMCUII-LBPRGKRZSA-N 1 2 372.498 2.961 40 0 FFABLO O=c1[nH]c(-c2ccncc2)nc2c1CC[N@H+](Cc1ccc3ccccc3n1)C2 ZINC000019376337 507170588 /nfs/dbraw/zinc/17/05/88/507170588.db2.gz MXLZUWOHCIUOGG-UHFFFAOYSA-N 1 2 369.428 2.938 40 0 FFABLO O=c1[nH]c(-c2ccncc2)nc2c1CC[N@@H+](Cc1ccc3ccccc3n1)C2 ZINC000019376337 507170619 /nfs/dbraw/zinc/17/06/19/507170619.db2.gz MXLZUWOHCIUOGG-UHFFFAOYSA-N 1 2 369.428 2.938 40 0 FFABLO O=C(NC12CC3CC(CC(C3)C1)C2)N1CC[NH+](Cc2ccccn2)CC1 ZINC000020543068 507224593 /nfs/dbraw/zinc/22/45/93/507224593.db2.gz MUAUMOAJFWPUQS-UHFFFAOYSA-N 1 2 354.498 2.878 40 0 FFABLO C[NH+]1CCN(C(=O)c2cc3sccc3n2CC(=O)c2ccccc2)CC1 ZINC000026416893 507587375 /nfs/dbraw/zinc/58/73/75/507587375.db2.gz KKULPXWPBKZYQO-UHFFFAOYSA-N 1 2 367.474 2.973 40 0 FFABLO CC(=O)N1CCC[C@H]1c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)[nH+]c1 ZINC000072216396 507770760 /nfs/dbraw/zinc/77/07/60/507770760.db2.gz JMQODWXEEZCPHB-KRWDZBQOSA-N 1 2 374.485 2.822 40 0 FFABLO COc1ccc(C[N@@H+]2CCc3c(nc(N4CCCCC4)[nH]c3=O)C2)cc1 ZINC000072347207 507778268 /nfs/dbraw/zinc/77/82/68/507778268.db2.gz VGGDVQCADBOWDP-UHFFFAOYSA-N 1 2 354.454 2.739 40 0 FFABLO COc1ccc(C[N@H+]2CCc3c(nc(N4CCCCC4)[nH]c3=O)C2)cc1 ZINC000072347207 507778273 /nfs/dbraw/zinc/77/82/73/507778273.db2.gz VGGDVQCADBOWDP-UHFFFAOYSA-N 1 2 354.454 2.739 40 0 FFABLO COc1ccc([C@H]([NH3+])c2nnc(-c3cc(OC)c(OC)c(OC)c3)[nH]2)cc1 ZINC000095533660 508198006 /nfs/dbraw/zinc/19/80/06/508198006.db2.gz YPUXRPOICFNCEG-INIZCTEOSA-N 1 2 370.409 2.554 40 0 FFABLO Cc1cccc(OCCNC(=O)c2ccc(C[NH+]3CCOCC3)cc2)c1C ZINC000223900074 509350682 /nfs/dbraw/zinc/35/06/82/509350682.db2.gz UAVMBSFIHJWDBG-UHFFFAOYSA-N 1 2 368.477 2.944 40 0 FFABLO Cc1ccsc1C(=O)N1Cc2c[nH+]cn2[C@@H](COc2ccccn2)C1 ZINC000253598395 509900975 /nfs/dbraw/zinc/90/09/75/509900975.db2.gz KEDVRQCEUBPDAV-OAHLLOKOSA-N 1 2 354.435 2.924 40 0 FFABLO Cc1c[nH+]c2n1C[C@@H](c1ccccc1)N(C(=O)c1cnn3cccnc13)C2 ZINC000257220216 509959029 /nfs/dbraw/zinc/95/90/29/509959029.db2.gz DKBAICSCTIVMTL-KRWDZBQOSA-N 1 2 358.405 2.632 40 0 FFABLO CNC(=O)C[N@@H+]1CCCC[C@@H]1c1cc(Nc2cccc(C)n2)nc(C)n1 ZINC000257268181 509968376 /nfs/dbraw/zinc/96/83/76/509968376.db2.gz MKOSKUCHIBZZBV-MRXNPFEDSA-N 1 2 354.458 2.505 40 0 FFABLO CNC(=O)C[N@H+]1CCCC[C@@H]1c1cc(Nc2cccc(C)n2)nc(C)n1 ZINC000257268181 509968385 /nfs/dbraw/zinc/96/83/85/509968385.db2.gz MKOSKUCHIBZZBV-MRXNPFEDSA-N 1 2 354.458 2.505 40 0 FFABLO Cc1ccc(NC(=O)C[N@@H+]2CC[C@H](Oc3cccc(F)c3)[C@@](C)(O)C2)cc1 ZINC000257301200 509974471 /nfs/dbraw/zinc/97/44/71/509974471.db2.gz RXJVOXCMGMXZEC-FPOVZHCZSA-N 1 2 372.440 2.977 40 0 FFABLO Cc1ccc(NC(=O)C[N@H+]2CC[C@H](Oc3cccc(F)c3)[C@@](C)(O)C2)cc1 ZINC000257301200 509974476 /nfs/dbraw/zinc/97/44/76/509974476.db2.gz RXJVOXCMGMXZEC-FPOVZHCZSA-N 1 2 372.440 2.977 40 0 FFABLO COCCn1cc[nH+]c1[C@@H]1CN(C(=O)c2ccco2)Cc2ccccc21 ZINC000306140054 511761601 /nfs/dbraw/zinc/76/16/01/511761601.db2.gz UIIMLXKHHNWEEA-QGZVFWFLSA-N 1 2 351.406 2.910 40 0 FFABLO COC(=O)c1ccc(Nc2cc(C3CC3)[nH+]c(NC(C)C)n2)cc1OC ZINC000328977278 511959981 /nfs/dbraw/zinc/95/99/81/511959981.db2.gz FSXHWXWUTFEDAA-UHFFFAOYSA-N 1 2 356.426 2.557 40 0 FFABLO C[C@H](CO)Nc1nc(NCc2ccc(F)c(F)c2)cc(-c2ccccc2)[nH+]1 ZINC000328991984 511962922 /nfs/dbraw/zinc/96/29/22/511962922.db2.gz IUNOFGJTOZNZOL-CYBMUJFWSA-N 1 2 370.403 2.670 40 0 FFABLO Cc1nc2cc(Nc3cc(C4CC4)[nH+]c(N[C@@H](C)CO)n3)ccc2s1 ZINC000329026201 511969867 /nfs/dbraw/zinc/96/98/67/511969867.db2.gz PKMXYRTVVJMGEW-JTQLQIEISA-N 1 2 355.467 2.652 40 0 FFABLO CNc1cc(-c2cccc(OC(F)(F)F)c2)[nH+]c(N[C@@H](CO)C(C)C)n1 ZINC000329059636 511976079 /nfs/dbraw/zinc/97/60/79/511976079.db2.gz WIMDCWUNXCXNKQ-AWEZNQCLSA-N 1 2 370.375 3.513 40 0 FFABLO COc1cccc(O[C@@H](C)C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000020045551 526237957 /nfs/dbraw/zinc/23/79/57/526237957.db2.gz PQAKAOLTFBPNOM-HNNXBMFYSA-N 1 2 351.406 2.965 40 0 FFABLO Cc1cc(C(=O)N2Cc3cccn3C[C@@H](CCNc3cccc[nH+]3)C2)no1 ZINC000585095110 571219881 /nfs/dbraw/zinc/21/98/81/571219881.db2.gz FZIHXPYALVOMSI-MRXNPFEDSA-N 1 2 365.437 2.954 40 0 FFABLO COc1cccc(F)c1C[N@@H+]1CCC[C@H]1c1cncc(CNC(C)=O)n1 ZINC000257333168 210002285 /nfs/dbraw/zinc/00/22/85/210002285.db2.gz YALUXZWEIFIQJE-SFHVURJKSA-N 1 2 358.417 2.598 40 0 FFABLO COc1cccc(F)c1C[N@H+]1CCC[C@H]1c1cncc(CNC(C)=O)n1 ZINC000257333168 210002288 /nfs/dbraw/zinc/00/22/88/210002288.db2.gz YALUXZWEIFIQJE-SFHVURJKSA-N 1 2 358.417 2.598 40 0 FFABLO CNc1ncc(C[N@@H+](Cc2ccc(OC)cc2OC)C[C@H]2CCCO2)cn1 ZINC000012187271 207346803 /nfs/dbraw/zinc/34/68/03/207346803.db2.gz AKPRAGJCYHYJIQ-GOSISDBHSA-N 1 2 372.469 2.717 40 0 FFABLO CNc1ncc(C[N@H+](Cc2ccc(OC)cc2OC)C[C@H]2CCCO2)cn1 ZINC000012187271 207346808 /nfs/dbraw/zinc/34/68/08/207346808.db2.gz AKPRAGJCYHYJIQ-GOSISDBHSA-N 1 2 372.469 2.717 40 0 FFABLO C[C@H](CC(=O)N1Cc2ccccc2OC2(CCOCC2)C1)n1cc[nH+]c1 ZINC000012087310 207336892 /nfs/dbraw/zinc/33/68/92/207336892.db2.gz JHUOTVJYDBRWSO-MRXNPFEDSA-N 1 2 355.438 2.805 40 0 FFABLO Cn1nnc2c1[C@@H](COCc1ccccn1)C[N@H+](Cc1ccsc1)C2 ZINC000096060762 209104997 /nfs/dbraw/zinc/10/49/97/209104997.db2.gz AOFMXMGNWFHAIN-OAHLLOKOSA-N 1 2 355.467 2.588 40 0 FFABLO Cn1nnc2c1[C@@H](COCc1ccccn1)C[N@@H+](Cc1ccsc1)C2 ZINC000096060762 209104999 /nfs/dbraw/zinc/10/49/99/209104999.db2.gz AOFMXMGNWFHAIN-OAHLLOKOSA-N 1 2 355.467 2.588 40 0 FFABLO Cn1nnc2c1[C@H](COCc1ccccn1)C[N@H+](Cc1cccs1)C2 ZINC000096060759 209104133 /nfs/dbraw/zinc/10/41/33/209104133.db2.gz PPUSCSJTHAPEHM-AWEZNQCLSA-N 1 2 355.467 2.588 40 0 FFABLO Cn1nnc2c1[C@H](COCc1ccccn1)C[N@@H+](Cc1cccs1)C2 ZINC000096060759 209104138 /nfs/dbraw/zinc/10/41/38/209104138.db2.gz PPUSCSJTHAPEHM-AWEZNQCLSA-N 1 2 355.467 2.588 40 0 FFABLO Cc1cccc(C[N@@H+]2CCO[C@@]3(CCCN(c4ncccc4F)C3)C2)n1 ZINC000096226393 132222935 /nfs/dbraw/zinc/22/29/35/132222935.db2.gz OUFOZNYZNSXSFV-FQEVSTJZSA-N 1 2 356.445 2.796 40 0 FFABLO Cc1cccc(C[N@H+]2CCO[C@@]3(CCCN(c4ncccc4F)C3)C2)n1 ZINC000096226393 132222936 /nfs/dbraw/zinc/22/29/36/132222936.db2.gz OUFOZNYZNSXSFV-FQEVSTJZSA-N 1 2 356.445 2.796 40 0 FFABLO C[C@@H]1CCCC[C@H]1NC(=O)CN1c2ccccc2C2=[NH+]CCCN2C1=O ZINC000072335720 136144645 /nfs/dbraw/zinc/14/46/45/136144645.db2.gz NVCFNXVPWHHNSD-GDBMZVCRSA-N 1 2 354.454 2.774 40 0 FFABLO COc1ccc(S(=O)(=O)N2CC[NH+](CCCc3ccccc3)CC2)cc1 ZINC000035623553 506388930 /nfs/dbraw/zinc/38/89/30/506388930.db2.gz ZEPGEEAKZXBEKY-UHFFFAOYSA-N 1 2 374.506 2.634 40 0 FFABLO CC[NH+]1CCN(C(=O)C(=O)c2c(-c3ccccc3)cc3ccccn32)CC1 ZINC000038280053 506437183 /nfs/dbraw/zinc/43/71/83/506437183.db2.gz WKSSDTMBEKEUAY-UHFFFAOYSA-N 1 2 361.445 2.953 40 0 FFABLO OC1(c2cccnc2)CC[NH+](Cc2nc(-c3cccnc3Cl)no2)CC1 ZINC000012233677 506839005 /nfs/dbraw/zinc/83/90/05/506839005.db2.gz VVMZMQGPWPTHQN-UHFFFAOYSA-N 1 2 371.828 2.664 40 0 FFABLO COc1cccc(C[N@@H+]2CCc3c(nc(-c4cnc(C)cn4)[nH]c3=O)C2)c1 ZINC000019239059 507162052 /nfs/dbraw/zinc/16/20/52/507162052.db2.gz DEXSTOJOCWTWTQ-UHFFFAOYSA-N 1 2 363.421 2.515 40 0 FFABLO COc1cccc(C[N@H+]2CCc3c(nc(-c4cnc(C)cn4)[nH]c3=O)C2)c1 ZINC000019239059 507162057 /nfs/dbraw/zinc/16/20/57/507162057.db2.gz DEXSTOJOCWTWTQ-UHFFFAOYSA-N 1 2 363.421 2.515 40 0 FFABLO CC[C@@H](c1nnnn1C(C)(C)C)N1CC[NH+](Cc2ccccc2OC)CC1 ZINC000019500576 507174237 /nfs/dbraw/zinc/17/42/37/507174237.db2.gz USKBUFJTKBRBKA-KRWDZBQOSA-N 1 2 372.517 2.706 40 0 FFABLO CC[C@H](C[NH+]1CCOCC1)NC(=O)Cc1c(C)[nH]c2cc(C)cc(C)c21 ZINC000019500342 507174904 /nfs/dbraw/zinc/17/49/04/507174904.db2.gz GSCBDLCCBDHWAM-QGZVFWFLSA-N 1 2 357.498 2.863 40 0 FFABLO CC(=O)N1CCC[C@H]1c1ccc[nH+]c1N1CCN(C(=O)OC(C)(C)C)CC1 ZINC000072216456 507770874 /nfs/dbraw/zinc/77/08/74/507770874.db2.gz CKWULLJUGDNVDE-KRWDZBQOSA-N 1 2 374.485 2.822 40 0 FFABLO COc1ccc(C[N@@H+]2C[C@@H](F)[C@@H](OCc3nc4cccnc4[nH]3)C2)cc1 ZINC000096112139 508206752 /nfs/dbraw/zinc/20/67/52/508206752.db2.gz ZKKZNKBDLLISQC-WBVHZDCISA-N 1 2 356.401 2.706 40 0 biogenic,in-vitro FFABLO COc1ccc(C[N@H+]2C[C@@H](F)[C@@H](OCc3nc4cccnc4[nH]3)C2)cc1 ZINC000096112139 508206754 /nfs/dbraw/zinc/20/67/54/508206754.db2.gz ZKKZNKBDLLISQC-WBVHZDCISA-N 1 2 356.401 2.706 40 0 biogenic,in-vitro FFABLO O=C1CCCN1C[C@@H]1CN(CCOc2ccc(Cl)cc2)Cc2c[nH+]cn21 ZINC000247955645 509199284 /nfs/dbraw/zinc/19/92/84/509199284.db2.gz NDIYYVOCOJAHON-KRWDZBQOSA-N 1 2 374.872 2.595 40 0 FFABLO COc1ccccc1NC(=S)N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000225220757 509367433 /nfs/dbraw/zinc/36/74/33/509367433.db2.gz RKYFSPPVSYWJCS-UHFFFAOYSA-N 1 2 357.479 2.915 40 0 FFABLO CC1(C)CN(C(=O)c2ccccc2)C[C@@H]2CN(Cc3nccs3)CC[N@@H+]21 ZINC000253395050 509877351 /nfs/dbraw/zinc/87/73/51/509877351.db2.gz BOIZTJFTAKZDGK-KRWDZBQOSA-N 1 2 370.522 2.564 40 0 biogenic,in-vitro FFABLO CC1(C)CN(C(=O)c2ccccc2)C[C@@H]2CN(Cc3nccs3)CC[N@H+]21 ZINC000253395050 509877356 /nfs/dbraw/zinc/87/73/56/509877356.db2.gz BOIZTJFTAKZDGK-KRWDZBQOSA-N 1 2 370.522 2.564 40 0 biogenic,in-vitro FFABLO Cc1cccc(C[NH+]2CC3(C2)C[C@H](CCOc2nccc(C)n2)CCO3)n1 ZINC000253476945 509884522 /nfs/dbraw/zinc/88/45/22/509884522.db2.gz CCEAUZANUCFHMA-GOSISDBHSA-N 1 2 368.481 2.939 40 0 FFABLO Cc1cncc(OCC[C@@H]2CCOC3(C[NH+](Cc4ccncc4)C3)C2)n1 ZINC000253600845 509903346 /nfs/dbraw/zinc/90/33/46/509903346.db2.gz ATYQUMAKBOBRSM-QGZVFWFLSA-N 1 2 354.454 2.630 40 0 FFABLO Cc1n[nH]cc1C[N@@H+]1CCC[C@@H]1c1nccnc1Nc1nc(C)cc(C)n1 ZINC000257237860 509962194 /nfs/dbraw/zinc/96/21/94/509962194.db2.gz HINCAYLOJPMBNC-MRXNPFEDSA-N 1 2 364.457 2.996 40 0 FFABLO COc1ccc([C@H](NC(=O)[C@H]2CC[C@H](OC)CC2)c2[nH+]ccn2C)cc1 ZINC000257267232 509969405 /nfs/dbraw/zinc/96/94/05/509969405.db2.gz MGMACNUFPZMVRQ-SZMVWBNQSA-N 1 2 357.454 2.840 40 0 FFABLO O=C(NCC[C@@H]1C[N@H+](Cc2ccsc2)Cc2ccnn21)c1cccnc1 ZINC000247477603 510862229 /nfs/dbraw/zinc/86/22/29/510862229.db2.gz HRVQRJKPWDEAAB-QGZVFWFLSA-N 1 2 367.478 2.717 40 0 FFABLO O=C(NCC[C@@H]1C[N@@H+](Cc2ccsc2)Cc2ccnn21)c1cccnc1 ZINC000247477603 510862230 /nfs/dbraw/zinc/86/22/30/510862230.db2.gz HRVQRJKPWDEAAB-QGZVFWFLSA-N 1 2 367.478 2.717 40 0 FFABLO O=C(CC1Cc2ccccc2C1)N1Cc2c[nH+]cn2[C@@H](COCC2CC2)C1 ZINC000247870084 510871760 /nfs/dbraw/zinc/87/17/60/510871760.db2.gz QHTPGAKDVBFHPN-OAQYLSRUSA-N 1 2 365.477 2.998 40 0 FFABLO Brc1ccccc1-c1nnc(SCC[NH+]2CCOCC2)o1 ZINC000019898089 518224419 /nfs/dbraw/zinc/22/44/19/518224419.db2.gz TUTVHSAAFQKNPT-UHFFFAOYSA-N 1 2 370.272 2.923 40 0 FFABLO Cc1cc(CN2CCn3c(CCOc4cc[nH+]cc4)cnc3[C@@H]2C)no1 ZINC000585097174 518533916 /nfs/dbraw/zinc/53/39/16/518533916.db2.gz GLRIOLROMIDUBI-HNNXBMFYSA-N 1 2 353.426 2.773 40 0 FFABLO C[NH+](C)C/C=C/C(=O)N1CCCC[C@H]1c1csc(Nc2ncccn2)n1 ZINC000585291612 518556743 /nfs/dbraw/zinc/55/67/43/518556743.db2.gz DVPNZOVITNXCBO-PXTSUWAFSA-N 1 2 372.498 2.848 40 0 FFABLO O=C(C=Cc1c[nH]c[nH+]1)N1CC[C@H](OCc2ccccc2)[C@]2(CCCO2)C1 ZINC000585291162 518557928 /nfs/dbraw/zinc/55/79/28/518557928.db2.gz MCBBEYMQRHMDRR-QGELVWPYSA-N 1 2 367.449 2.790 40 0 FFABLO COC(=O)c1ccc(Cl)c(NC(=S)NCCCn2cc[nH+]c2)c1 ZINC000225521289 209817634 /nfs/dbraw/zinc/81/76/34/209817634.db2.gz ADUNIPMPFBDLBD-UHFFFAOYSA-N 1 2 352.847 2.700 40 0 FFABLO CCOC[C@H]1Cn2c[nH+]cc2CN(C(=O)CC2Cc3ccccc3C2)C1 ZINC000096208134 209135242 /nfs/dbraw/zinc/13/52/42/209135242.db2.gz YKKDACOZPZRDET-QGZVFWFLSA-N 1 2 353.466 2.683 40 0 FFABLO c1c[nH+]c(CN2CCC[C@H]2c2nc(-c3ccnc(N4CCCC4)c3)no2)[nH]1 ZINC000035426344 207165889 /nfs/dbraw/zinc/16/58/89/207165889.db2.gz YZKVFYPXUIMJFV-HNNXBMFYSA-N 1 2 365.441 2.792 40 0 biogenic,in-vitro FFABLO O=C(CCc1ccccc1F)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000032518805 208029797 /nfs/dbraw/zinc/02/97/97/208029797.db2.gz HECKNCDUOKECDM-UHFFFAOYSA-N 1 2 370.424 2.831 40 0 FFABLO CC(C)n1c[nH+]c2c1[C@@H](C(=O)N1CCCO1)N(Cc1ccccc1)CC2 ZINC000096037531 209097493 /nfs/dbraw/zinc/09/74/93/209097493.db2.gz ZTBDMUVSBCZKFF-IBGZPJMESA-N 1 2 354.454 2.727 40 0 FFABLO CN(C(=O)c1cccc2c1OCCO2)[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000257237791 132295334 /nfs/dbraw/zinc/29/53/34/132295334.db2.gz HIFDRVPNSCUMCG-HNNXBMFYSA-N 1 2 353.422 2.594 40 0 FFABLO C[C@H](CO)Nc1cc(N2CCc3cc(Br)ccc3C2)nc[nH+]1 ZINC000329063446 132373142 /nfs/dbraw/zinc/37/31/42/132373142.db2.gz XENOYYKJYKDOAN-LLVKDONJSA-N 1 2 363.259 2.595 40 0 FFABLO C[C@H](CO)Nc1cc(N2CCc3cc(Br)ccc3C2)[nH+]cn1 ZINC000329063446 132373143 /nfs/dbraw/zinc/37/31/43/132373143.db2.gz XENOYYKJYKDOAN-LLVKDONJSA-N 1 2 363.259 2.595 40 0 FFABLO CN(C(=O)c1ccc(Cl)cc1)C(=S)N1CCN(c2cccc[nH+]2)CC1 ZINC000001635192 132382329 /nfs/dbraw/zinc/38/23/29/132382329.db2.gz ODPKTLWURVESGQ-UHFFFAOYSA-N 1 2 374.897 2.914 40 0 FFABLO CCN1c2ncccc2C(=O)NC12CC[NH+](Cc1cc(F)ccc1F)CC2 ZINC000036735050 506414358 /nfs/dbraw/zinc/41/43/58/506414358.db2.gz MUIOSHLFZXCACD-UHFFFAOYSA-N 1 2 372.419 2.922 40 0 FFABLO O=c1[nH]c(-c2ccccn2)nc2c1CC[N@H+](Cc1ccnc3ccccc13)C2 ZINC000019376103 507170520 /nfs/dbraw/zinc/17/05/20/507170520.db2.gz ODFVPBCFINVCQG-UHFFFAOYSA-N 1 2 369.428 2.938 40 0 FFABLO O=c1[nH]c(-c2ccccn2)nc2c1CC[N@@H+](Cc1ccnc3ccccc13)C2 ZINC000019376103 507170530 /nfs/dbraw/zinc/17/05/30/507170530.db2.gz ODFVPBCFINVCQG-UHFFFAOYSA-N 1 2 369.428 2.938 40 0 FFABLO Cc1cc(C[N@@H+]2CCc3c(=O)[nH]c(-c4cnccn4)nc3C2)cc(C)c1O ZINC000019570041 507181273 /nfs/dbraw/zinc/18/12/73/507181273.db2.gz SPNKSLSGGHBFBD-UHFFFAOYSA-N 1 2 363.421 2.520 40 0 FFABLO Cc1cc(C[N@H+]2CCc3c(=O)[nH]c(-c4cnccn4)nc3C2)cc(C)c1O ZINC000019570041 507181280 /nfs/dbraw/zinc/18/12/80/507181280.db2.gz SPNKSLSGGHBFBD-UHFFFAOYSA-N 1 2 363.421 2.520 40 0 FFABLO COc1cccc(C(=O)N2CCc3nc([C@H]4CCCC[N@@H+]4C)ncc3C2)c1 ZINC000019588966 507183524 /nfs/dbraw/zinc/18/35/24/507183524.db2.gz KLYZCNNMYOBROE-LJQANCHMSA-N 1 2 366.465 2.841 40 0 FFABLO COc1cccc(C(=O)N2CCc3nc([C@H]4CCCC[N@H+]4C)ncc3C2)c1 ZINC000019588966 507183528 /nfs/dbraw/zinc/18/35/28/507183528.db2.gz KLYZCNNMYOBROE-LJQANCHMSA-N 1 2 366.465 2.841 40 0 FFABLO [NH2+]=C1S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(OCc2ccccc2)cc1 ZINC000026505354 507594813 /nfs/dbraw/zinc/59/48/13/507594813.db2.gz XOQWRNDFWTZQKF-DLBZAZTESA-N 1 2 374.487 2.919 40 0 FFABLO O=C(Cc1ccc(F)cc1)N1CCC[C@H](c2cncc(-n3cc[nH+]c3)n2)C1 ZINC000072355363 507779556 /nfs/dbraw/zinc/77/95/56/507779556.db2.gz OMZRLPRAOUGWHZ-INIZCTEOSA-N 1 2 365.412 2.750 40 0 FFABLO CC[NH+]1CCN(S(=O)(=O)c2ccc(-c3ccc(OC)cc3)cc2)CC1 ZINC000072414512 507786471 /nfs/dbraw/zinc/78/64/71/507786471.db2.gz WBNUJHIGRQRDLN-UHFFFAOYSA-N 1 2 360.479 2.688 40 0 FFABLO Cc1ncsc1C[NH+]1CC2(C1)C[C@H](CCOc1cnccn1)CCO2 ZINC000248015706 509216935 /nfs/dbraw/zinc/21/69/35/509216935.db2.gz HKGXJMLLXQBEEW-OAHLLOKOSA-N 1 2 360.483 2.692 40 0 FFABLO Cc1sc(=O)n(CCC(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)c1C ZINC000265155976 509894260 /nfs/dbraw/zinc/89/42/60/509894260.db2.gz DVLKKPVBLYYSFQ-UHFFFAOYSA-N 1 2 374.441 2.558 40 0 FFABLO Cc1[nH+]cc(-c2cncc([C@@H]3CCCN(C(=O)c4ccncc4)C3)n2)n1C ZINC000257214661 509957972 /nfs/dbraw/zinc/95/79/72/509957972.db2.gz CMXRIJVAOCSOAL-MRXNPFEDSA-N 1 2 362.437 2.600 40 0 FFABLO Cn1cc[nH+]c1CN1CCC[C@@H]1c1cccc(C(=O)Nc2nccs2)n1 ZINC000257221371 509959133 /nfs/dbraw/zinc/95/91/33/509959133.db2.gz DOTJBXLOZQXIIX-OAHLLOKOSA-N 1 2 368.466 2.861 40 0 FFABLO COc1ncc(C[N@@H+]2CCC[C@H]2c2cncc(-c3c(C)noc3C)n2)cn1 ZINC000257221968 509959342 /nfs/dbraw/zinc/95/93/42/509959342.db2.gz DRIJTUOAZJSSSC-KRWDZBQOSA-N 1 2 366.425 2.884 40 0 FFABLO COc1ncc(C[N@H+]2CCC[C@H]2c2cncc(-c3c(C)noc3C)n2)cn1 ZINC000257221968 509959347 /nfs/dbraw/zinc/95/93/47/509959347.db2.gz DRIJTUOAZJSSSC-KRWDZBQOSA-N 1 2 366.425 2.884 40 0 FFABLO Cc1c[nH]nc1C[C@@H]1CCCN(C(=O)Cn2c(C)[nH+]c3ccccc32)C1 ZINC000257238866 509962130 /nfs/dbraw/zinc/96/21/30/509962130.db2.gz HMVXQQJWPTZXTM-INIZCTEOSA-N 1 2 351.454 2.858 40 0 FFABLO Cc1[nH+]cc(-c2cncc([C@H]3CCCN(C(=O)c4cccnc4)C3)n2)n1C ZINC000257245996 509964222 /nfs/dbraw/zinc/96/42/22/509964222.db2.gz ISABVJAGQQWVCR-INIZCTEOSA-N 1 2 362.437 2.600 40 0 FFABLO CO[C@H]1CC[C@H](C(=O)N2CCc3nc([C@H]4CCCC[N@@H+]4C)ncc3C2)CC1 ZINC000257243955 509964359 /nfs/dbraw/zinc/96/43/59/509964359.db2.gz IJGYTBPYIOMAEV-SZVBFZGTSA-N 1 2 372.513 2.723 40 0 FFABLO CO[C@H]1CC[C@H](C(=O)N2CCc3nc([C@H]4CCCC[N@H+]4C)ncc3C2)CC1 ZINC000257243955 509964364 /nfs/dbraw/zinc/96/43/64/509964364.db2.gz IJGYTBPYIOMAEV-SZVBFZGTSA-N 1 2 372.513 2.723 40 0 FFABLO Cc1ncc(C[N@@H+]2CCO[C@@H](c3cccc(-c4cncnc4)n3)C2)s1 ZINC000257272644 509971251 /nfs/dbraw/zinc/97/12/51/509971251.db2.gz NDGPAFLGAYIKKH-GOSISDBHSA-N 1 2 353.451 2.877 40 0 FFABLO Cc1ncc(C[N@H+]2CCO[C@@H](c3cccc(-c4cncnc4)n3)C2)s1 ZINC000257272644 509971258 /nfs/dbraw/zinc/97/12/58/509971258.db2.gz NDGPAFLGAYIKKH-GOSISDBHSA-N 1 2 353.451 2.877 40 0 FFABLO COc1ccc([C@H]2Nc3ccccc3-c3c(=O)[nH]c(SC)n[n+]32)cc1O ZINC000261361650 509985278 /nfs/dbraw/zinc/98/52/78/509985278.db2.gz BBHKDJRQNGORHD-INIZCTEOSA-O 1 2 369.426 2.545 40 0 FFABLO c1cc(C[NH+]2CC3(C2)C[C@@H](CCOCC2CCOCC2)CCO3)ccn1 ZINC000247844247 510871412 /nfs/dbraw/zinc/87/14/12/510871412.db2.gz MDBRXEMSXCUJLS-SFHVURJKSA-N 1 2 360.498 2.896 40 0 FFABLO COCCc1c[nH+]c2n1CCN(C(=O)c1ccc3ccccc3n1)[C@H]2C ZINC000585098200 518535539 /nfs/dbraw/zinc/53/55/39/518535539.db2.gz RYUYBTXCJPJKNF-AWEZNQCLSA-N 1 2 350.422 2.837 40 0 FFABLO Cc1[nH+]cc(-c2cncc(C[C@@H]3CCN(C(=O)c4cccs4)C3)n2)n1C ZINC000257295809 534722018 /nfs/dbraw/zinc/72/20/18/534722018.db2.gz QZYVAJZLJKLUAD-AWEZNQCLSA-N 1 2 367.478 2.952 40 0 FFABLO CC[NH+]1CCN(c2nc3c(c(NC)n2)C(=O)C[C@@H](c2ccccc2)C3)CC1 ZINC000010157665 207296548 /nfs/dbraw/zinc/29/65/48/207296548.db2.gz JPFPKJJYOIKJMP-INIZCTEOSA-N 1 2 365.481 2.573 40 0 FFABLO CCn1cc(C[N@@H+]2CCc3nc4cc(C(C)(C)C)[nH]n4c(=O)c3C2)cn1 ZINC000012325333 207361396 /nfs/dbraw/zinc/36/13/96/207361396.db2.gz FGUJYSPWFPGQKO-UHFFFAOYSA-N 1 2 354.458 2.507 40 0 FFABLO CCn1cc(C[N@H+]2CCc3nc4cc(C(C)(C)C)[nH]n4c(=O)c3C2)cn1 ZINC000012325333 207361404 /nfs/dbraw/zinc/36/14/04/207361404.db2.gz FGUJYSPWFPGQKO-UHFFFAOYSA-N 1 2 354.458 2.507 40 0 FFABLO Cc1nn2c(ncc(C(=O)N3CC[NH+](C)CC3)c2C)c1-c1ccc(F)cc1 ZINC000038829599 208206226 /nfs/dbraw/zinc/20/62/26/208206226.db2.gz CNHCOUNLGHSQLV-UHFFFAOYSA-N 1 2 367.428 2.540 40 0 FFABLO COC[C@H]1c2c(cnn2CC2CCOCC2)CC[N@H+]1Cc1ccc(C)o1 ZINC000096044534 209100052 /nfs/dbraw/zinc/10/00/52/209100052.db2.gz INXFZURGZMRTGF-IBGZPJMESA-N 1 2 359.470 2.957 40 0 FFABLO COC[C@H]1c2c(cnn2CC2CCOCC2)CC[N@@H+]1Cc1ccc(C)o1 ZINC000096044534 209100055 /nfs/dbraw/zinc/10/00/55/209100055.db2.gz INXFZURGZMRTGF-IBGZPJMESA-N 1 2 359.470 2.957 40 0 FFABLO COC[C@H]1CN(C(=O)Cc2ccc(F)cc2)Cc2[nH+]cn(CC3CC3)c21 ZINC000096045093 209099346 /nfs/dbraw/zinc/09/93/46/209099346.db2.gz FCIPQQIFMYDDJD-MRXNPFEDSA-N 1 2 357.429 2.747 40 0 FFABLO O=C1C[C@@H]([N@H+]2CCCC[C@@H]2CCO)C(=O)N1c1cccc(Cl)c1Cl ZINC000017076045 263372202 /nfs/dbraw/zinc/37/22/02/263372202.db2.gz YTUHUIHXPDQNLR-BXUZGUMPSA-N 1 2 371.264 2.862 40 0 FFABLO O=C1C[C@@H]([N@@H+]2CCCC[C@@H]2CCO)C(=O)N1c1cccc(Cl)c1Cl ZINC000017076045 263372203 /nfs/dbraw/zinc/37/22/03/263372203.db2.gz YTUHUIHXPDQNLR-BXUZGUMPSA-N 1 2 371.264 2.862 40 0 FFABLO Cc1cc(-c2cnc(NCCCn3cc[nH+]c3)nc2[C@H]2CCCO2)on1 ZINC000012142265 506821838 /nfs/dbraw/zinc/82/18/38/506821838.db2.gz OKEVXJMHWDATIT-OAHLLOKOSA-N 1 2 354.414 2.990 40 0 FFABLO C[C@@H]1CCCCN1c1nc2c(c(=O)[nH]1)CC[N@H+](Cc1ccc(F)cc1)C2 ZINC000012184683 506828884 /nfs/dbraw/zinc/82/88/84/506828884.db2.gz MBDMETIAIGSRKU-CQSZACIVSA-N 1 2 356.445 2.846 40 0 FFABLO C[C@@H]1CCCCN1c1nc2c(c(=O)[nH]1)CC[N@@H+](Cc1ccc(F)cc1)C2 ZINC000012184683 506828894 /nfs/dbraw/zinc/82/88/94/506828894.db2.gz MBDMETIAIGSRKU-CQSZACIVSA-N 1 2 356.445 2.846 40 0 FFABLO c1csc(CN2Cc3[nH]c[nH+]c3C[C@H]2c2nc(-c3cnccn3)no2)c1 ZINC000015675494 507054757 /nfs/dbraw/zinc/05/47/57/507054757.db2.gz HXVAGPILFKEKOI-HNNXBMFYSA-N 1 2 365.422 2.611 40 0 biogenic,in-vitro FFABLO C[C@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)c(-n3cccc3)c2)C[C@H](C)O1 ZINC000019497366 507172304 /nfs/dbraw/zinc/17/23/04/507172304.db2.gz YHGZQDFDYXCVKN-HOTGVXAUSA-N 1 2 350.422 2.912 40 0 FFABLO CC[C@H](C[NH+]1CCOCC1)NC(=O)Cc1ccc(OC)c2ccccc12 ZINC000019500380 507174211 /nfs/dbraw/zinc/17/42/11/507174211.db2.gz JCJRDUUKOGBFGE-QGZVFWFLSA-N 1 2 356.466 2.618 40 0 FFABLO CN(C)[C@H](C(=O)N1CC[N@H+](C)C[C@@H]1c1ccccc1)c1ccc(F)cc1 ZINC000019589324 507182507 /nfs/dbraw/zinc/18/25/07/507182507.db2.gz VROCZVPADRQJTR-UXHICEINSA-N 1 2 355.457 2.944 40 0 FFABLO CN(C)[C@H](C(=O)N1CC[N@@H+](C)C[C@@H]1c1ccccc1)c1ccc(F)cc1 ZINC000019589324 507182513 /nfs/dbraw/zinc/18/25/13/507182513.db2.gz VROCZVPADRQJTR-UXHICEINSA-N 1 2 355.457 2.944 40 0 FFABLO Cc1nonc1C[N@@H+](C)Cc1c(-c2ccc(F)cc2)nc2ncccn12 ZINC000019656969 507187656 /nfs/dbraw/zinc/18/76/56/507187656.db2.gz MWMMRDTZWAKIGW-UHFFFAOYSA-N 1 2 352.373 2.859 40 0 FFABLO Cc1nonc1C[N@H+](C)Cc1c(-c2ccc(F)cc2)nc2ncccn12 ZINC000019656969 507187663 /nfs/dbraw/zinc/18/76/63/507187663.db2.gz MWMMRDTZWAKIGW-UHFFFAOYSA-N 1 2 352.373 2.859 40 0 FFABLO Cc1ncc(C[N@@H+]2CCO[C@@H](c3ccc(-c4cnn(C)c4)cn3)C2)s1 ZINC000019693794 507191085 /nfs/dbraw/zinc/19/10/85/507191085.db2.gz QZLVQHMBAQRRSJ-GOSISDBHSA-N 1 2 355.467 2.821 40 0 FFABLO Cc1ncc(C[N@H+]2CCO[C@@H](c3ccc(-c4cnn(C)c4)cn3)C2)s1 ZINC000019693794 507191095 /nfs/dbraw/zinc/19/10/95/507191095.db2.gz QZLVQHMBAQRRSJ-GOSISDBHSA-N 1 2 355.467 2.821 40 0 FFABLO Cc1nc2ccccc2n1Cc1cc(NCCN2CCCC2=O)nc(C)[nH+]1 ZINC000019719603 507196893 /nfs/dbraw/zinc/19/68/93/507196893.db2.gz KWHOURZVYZDNDX-UHFFFAOYSA-N 1 2 364.453 2.526 40 0 FFABLO COc1ccc(CN(C)C(=O)c2cccc(C[NH+]3CCOCC3)c2)cc1 ZINC000068382575 507208231 /nfs/dbraw/zinc/20/82/31/507208231.db2.gz SSIFGTDMLBNVIF-UHFFFAOYSA-N 1 2 354.450 2.800 40 0 FFABLO COc1cc(C)c(S(=O)(=O)N2CC[NH+](Cc3ccccc3)CC2)c(C)c1 ZINC000029229335 507770380 /nfs/dbraw/zinc/77/03/80/507770380.db2.gz GJHUACDRVCVXFP-UHFFFAOYSA-N 1 2 374.506 2.819 40 0 FFABLO O=C([C@@H]1C[N@H+](Cc2ccc3ccccc3n2)Cc2ccnn21)N1CCCC1 ZINC000247895020 509189633 /nfs/dbraw/zinc/18/96/33/509189633.db2.gz ZOUGTXWGYBOWKA-FQEVSTJZSA-N 1 2 361.449 2.611 40 0 FFABLO O=C([C@@H]1C[N@@H+](Cc2ccc3ccccc3n2)Cc2ccnn21)N1CCCC1 ZINC000247895020 509189639 /nfs/dbraw/zinc/18/96/39/509189639.db2.gz ZOUGTXWGYBOWKA-FQEVSTJZSA-N 1 2 361.449 2.611 40 0 FFABLO COc1ccccc1C[N@H+]1Cc2cncn2[C@H](COCC2CCOCC2)C1 ZINC000248114134 509235557 /nfs/dbraw/zinc/23/55/57/509235557.db2.gz AKXNRBZGGWMPAH-FQEVSTJZSA-N 1 2 371.481 2.892 40 0 FFABLO COc1ccccc1C[N@@H+]1Cc2cncn2[C@H](COCC2CCOCC2)C1 ZINC000248114134 509235567 /nfs/dbraw/zinc/23/55/67/509235567.db2.gz AKXNRBZGGWMPAH-FQEVSTJZSA-N 1 2 371.481 2.892 40 0 FFABLO COc1ccccc1C[NH+]1CC2(C1)OCC[C@H]2COCc1ccccn1 ZINC000248121425 509239811 /nfs/dbraw/zinc/23/98/11/509239811.db2.gz DXVQJNZSYRBZOR-SFHVURJKSA-N 1 2 354.450 2.898 40 0 FFABLO COc1cccc(C(=O)N2CC3(C2)OCC[C@H]3CCNc2cccc[nH+]2)c1 ZINC000248143956 509245140 /nfs/dbraw/zinc/24/51/40/509245140.db2.gz RMIWOXUTHVCZKN-QGZVFWFLSA-N 1 2 367.449 2.824 40 0 FFABLO COc1ccccc1C[NH+]1CC2(C1)C[C@H](OCC1CCOCC1)CCO2 ZINC000248155718 509249319 /nfs/dbraw/zinc/24/93/19/509249319.db2.gz YULLWOFYDQGDHX-LJQANCHMSA-N 1 2 361.482 2.872 40 0 FFABLO Cc1noc(C)c1S(=O)(=O)Nc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000225744026 509386134 /nfs/dbraw/zinc/38/61/34/509386134.db2.gz ZUUFPZANTHXMDL-UHFFFAOYSA-N 1 2 365.455 2.565 40 0 FFABLO CCc1ccc(C[NH+]2CC3(C2)C[C@@H](OCC(=O)N2CCCC2)CCO3)cc1 ZINC000253605889 509902859 /nfs/dbraw/zinc/90/28/59/509902859.db2.gz FMYFNBKATIUYDH-FQEVSTJZSA-N 1 2 372.509 2.621 40 0 FFABLO CNc1cc([C@H]2CCCN2C(=O)CCn2nnc3ccccc32)cc[nH+]1 ZINC000257226090 509958938 /nfs/dbraw/zinc/95/89/38/509958938.db2.gz FJCMDZDJWYEYKS-MRXNPFEDSA-N 1 2 350.426 2.622 40 0 FFABLO CNc1cc([C@@H]2CCCN2C(=O)c2cc3nc(C)cc(C)n3n2)cc[nH+]1 ZINC000257251195 509964626 /nfs/dbraw/zinc/96/46/26/509964626.db2.gz JPVBEMPPJLLLAN-INIZCTEOSA-N 1 2 350.426 2.760 40 0 FFABLO Cc1[nH+]cc(-c2nccnc2[C@H]2CCCN(C(=O)c3cccnc3)C2)n1C ZINC000257266228 509967934 /nfs/dbraw/zinc/96/79/34/509967934.db2.gz MCBKTEWNMCVYHK-INIZCTEOSA-N 1 2 362.437 2.600 40 0 FFABLO CCCCc1[nH]c(CN2CCC[C@H]2c2nccc(CNC(C)=O)n2)c[nH+]1 ZINC000257281661 509970833 /nfs/dbraw/zinc/97/08/33/509970833.db2.gz OQJGQWWNHDQORL-KRWDZBQOSA-N 1 2 356.474 2.516 40 0 FFABLO CCCCc1[nH]cc(CN2CCC[C@H]2c2nccc(CNC(C)=O)n2)[nH+]1 ZINC000257281661 509970839 /nfs/dbraw/zinc/97/08/39/509970839.db2.gz OQJGQWWNHDQORL-KRWDZBQOSA-N 1 2 356.474 2.516 40 0 FFABLO Cc1csc(Nc2cccc([C@H]3C[N@H+](Cc4cnn(C)c4)CCO3)n2)n1 ZINC000257300034 509974331 /nfs/dbraw/zinc/97/43/31/509974331.db2.gz RSPYPSZQCXPXMD-MRXNPFEDSA-N 1 2 370.482 2.897 40 0 FFABLO Cc1csc(Nc2cccc([C@H]3C[N@@H+](Cc4cnn(C)c4)CCO3)n2)n1 ZINC000257300034 509974340 /nfs/dbraw/zinc/97/43/40/509974340.db2.gz RSPYPSZQCXPXMD-MRXNPFEDSA-N 1 2 370.482 2.897 40 0 FFABLO CS(=O)(=O)c1c[nH]nc1[C@@H]1CCC[N@H+](Cc2ccc3cc[nH]c3c2)C1 ZINC000257298915 509975093 /nfs/dbraw/zinc/97/50/93/509975093.db2.gz RNVLOFDJBKQPNO-OAHLLOKOSA-N 1 2 358.467 2.674 40 0 FFABLO CS(=O)(=O)c1c[nH]nc1[C@@H]1CCC[N@@H+](Cc2ccc3cc[nH]c3c2)C1 ZINC000257298915 509975097 /nfs/dbraw/zinc/97/50/97/509975097.db2.gz RNVLOFDJBKQPNO-OAHLLOKOSA-N 1 2 358.467 2.674 40 0 FFABLO O=C(CC1=CCCCC1)N1Cc2c[nH+]cn2[C@H](COc2ncccn2)C1 ZINC000247856471 510871587 /nfs/dbraw/zinc/87/15/87/510871587.db2.gz KUSHITAUQGAFIW-KRWDZBQOSA-N 1 2 353.426 2.526 40 0 FFABLO O=C(NC[C@H]1CCCn2cc[nH+]c21)N1CCCN2c3ccccc3C[C@H]2C1 ZINC000332872934 511135056 /nfs/dbraw/zinc/13/50/56/511135056.db2.gz XKWFRDMDQDUIGP-MSOLQXFVSA-N 1 2 365.481 2.607 40 0 FFABLO CC(C)[C@H](CO)Nc1nc(NCc2ccco2)cc(-c2ccncc2)[nH+]1 ZINC000329044273 511973590 /nfs/dbraw/zinc/97/35/90/511973590.db2.gz SWCWVVXGXYVDJD-KRWDZBQOSA-N 1 2 353.426 3.173 40 0 FFABLO COc1ncccc1C[NH+]1CC2(C1)C[C@@H](OCc1ccccn1)CS2 ZINC000585105517 518541420 /nfs/dbraw/zinc/54/14/20/518541420.db2.gz YTGIXTUAHFUJRI-QGZVFWFLSA-N 1 2 357.479 2.762 40 0 FFABLO CO[C@H]1CN(C(=O)CCCn2cc[nH+]c2)CC[C@@H]1Cc1cccc(F)c1 ZINC000585279392 518553684 /nfs/dbraw/zinc/55/36/84/518553684.db2.gz LFRMTFQNUUHGNJ-MJGOQNOKSA-N 1 2 359.445 2.909 40 0 FFABLO COc1ccc(NC(=O)c2cccc(C[NH+]3CCOCC3)c2)cc1OC ZINC000020488684 524641877 /nfs/dbraw/zinc/64/18/77/524641877.db2.gz CNBNSEYTMYYNCP-UHFFFAOYSA-N 1 2 356.422 2.788 40 0 FFABLO Cc1noc(C)c1C[N@@H+]1CCO[C@@H]2C[C@@H](COCc3ccncc3)C[C@@H]21 ZINC000096250785 209144792 /nfs/dbraw/zinc/14/47/92/209144792.db2.gz VFOVGCHYONKJFW-YSIASYRMSA-N 1 2 357.454 2.883 40 0 FFABLO Cc1noc(C)c1C[N@H+]1CCO[C@@H]2C[C@@H](COCc3ccncc3)C[C@@H]21 ZINC000096250785 209144793 /nfs/dbraw/zinc/14/47/93/209144793.db2.gz VFOVGCHYONKJFW-YSIASYRMSA-N 1 2 357.454 2.883 40 0 FFABLO Cc1ccc(CC(=O)N2CCCn3nnc(C[NH+]4CCCCC4)c3C2)cc1 ZINC000096259570 209145966 /nfs/dbraw/zinc/14/59/66/209145966.db2.gz FAFCAMSELFCMJX-UHFFFAOYSA-N 1 2 367.497 2.547 40 0 FFABLO CO[C@@H]1CCN(Cc2ccccn2)[C@@H]2C[N@H+](Cc3csc(C)n3)C[C@@H]21 ZINC000096220273 209137383 /nfs/dbraw/zinc/13/73/83/209137383.db2.gz PWQDPCBNZVEOLL-IPMKNSEASA-N 1 2 358.511 2.568 40 0 FFABLO CO[C@@H]1CCN(Cc2ccccn2)[C@@H]2C[N@@H+](Cc3csc(C)n3)C[C@@H]21 ZINC000096220273 209137387 /nfs/dbraw/zinc/13/73/87/209137387.db2.gz PWQDPCBNZVEOLL-IPMKNSEASA-N 1 2 358.511 2.568 40 0 FFABLO O=S(=O)(c1ccccc1)N1C[C@H]2C[N@@H+](Cc3cccc(Cl)c3)[C@@H]2C1 ZINC000096080478 209110297 /nfs/dbraw/zinc/11/02/97/209110297.db2.gz NJMOORJVHZXUCY-CRAIPNDOSA-N 1 2 362.882 2.845 40 0 FFABLO O=S(=O)(c1ccccc1)N1C[C@H]2C[N@H+](Cc3cccc(Cl)c3)[C@@H]2C1 ZINC000096080478 209110298 /nfs/dbraw/zinc/11/02/98/209110298.db2.gz NJMOORJVHZXUCY-CRAIPNDOSA-N 1 2 362.882 2.845 40 0 FFABLO C[C@@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)c(-n3cccc3)c2)C[C@@H](C)O1 ZINC000019497364 220264422 /nfs/dbraw/zinc/26/44/22/220264422.db2.gz YHGZQDFDYXCVKN-HZPDHXFCSA-N 1 2 350.422 2.912 40 0 FFABLO Cc1nc(C)c(C(=O)N2Cc3ccccc3OC[C@@H]2Cn2cc[nH+]c2)o1 ZINC000012128342 207341174 /nfs/dbraw/zinc/34/11/74/207341174.db2.gz PVZCBSNCIDONRX-INIZCTEOSA-N 1 2 352.394 2.592 40 0 FFABLO CC(C)(C)c1cc2nc3c(c(=O)n2[nH]1)C[N@H+](Cc1cccc(O)c1)CC3 ZINC000012142902 207342909 /nfs/dbraw/zinc/34/29/09/207342909.db2.gz QSXXFHLVORBJSP-UHFFFAOYSA-N 1 2 352.438 2.996 40 0 FFABLO CC(C)(C)c1cc2nc3c(c(=O)n2[nH]1)C[N@@H+](Cc1cccc(O)c1)CC3 ZINC000012142902 207342913 /nfs/dbraw/zinc/34/29/13/207342913.db2.gz QSXXFHLVORBJSP-UHFFFAOYSA-N 1 2 352.438 2.996 40 0 FFABLO Cc1occc1C(=O)N1CCn2cc(C[N@H+](C)Cc3ccco3)nc2C1 ZINC000096059530 209104963 /nfs/dbraw/zinc/10/49/63/209104963.db2.gz QMROYBTWQRVQBU-UHFFFAOYSA-N 1 2 354.410 2.666 40 0 FFABLO Cc1occc1C(=O)N1CCn2cc(C[N@@H+](C)Cc3ccco3)nc2C1 ZINC000096059530 209104965 /nfs/dbraw/zinc/10/49/65/209104965.db2.gz QMROYBTWQRVQBU-UHFFFAOYSA-N 1 2 354.410 2.666 40 0 FFABLO OCCCNc1cc(N2CCc3cc(Br)ccc3C2)nc[nH+]1 ZINC000328991826 132297691 /nfs/dbraw/zinc/29/76/91/132297691.db2.gz ISGMXJFUDDGBCJ-UHFFFAOYSA-N 1 2 363.259 2.596 40 0 FFABLO OCCCNc1cc(N2CCc3cc(Br)ccc3C2)[nH+]cn1 ZINC000328991826 132297693 /nfs/dbraw/zinc/29/76/93/132297693.db2.gz ISGMXJFUDDGBCJ-UHFFFAOYSA-N 1 2 363.259 2.596 40 0 FFABLO CCC[C@@H](c1nnnn1Cc1ccco1)[NH+]1CCN(c2ccccc2)CC1 ZINC000057671155 136130014 /nfs/dbraw/zinc/13/00/14/136130014.db2.gz NJRIBQMHMIYBJK-IBGZPJMESA-N 1 2 366.469 2.978 40 0 FFABLO C[C@@H]1C[C@H](C)CN(C(=O)CN2c3ccccc3C3=[NH+]CCCN3C2=O)C1 ZINC000072335727 136144616 /nfs/dbraw/zinc/14/46/16/136144616.db2.gz MIWFWYUQICFDQS-GASCZTMLSA-N 1 2 354.454 2.583 40 0 FFABLO O=C(CN1c2ccccc2C2=[NH+]CCCN2C1=O)NCc1cccc(F)c1 ZINC000012142799 506821657 /nfs/dbraw/zinc/82/16/57/506821657.db2.gz DVHAAQHWYOSWFJ-UHFFFAOYSA-N 1 2 366.396 2.534 40 0 FFABLO CCOc1ccc(S(=O)(=O)NCCCn2cc[nH+]c2)cc1C(C)(C)C ZINC000045028179 506907735 /nfs/dbraw/zinc/90/77/35/506907735.db2.gz KWVCQILCYXOADA-UHFFFAOYSA-N 1 2 365.499 2.948 40 0 FFABLO COc1ccccc1NC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000018174733 507143537 /nfs/dbraw/zinc/14/35/37/507143537.db2.gz ZHYOIEPZNDZIKQ-UHFFFAOYSA-N 1 2 355.438 2.849 40 0 FFABLO CC(=O)N1CCC(c2ncc3c(n2)CC[N@@H+](Cc2ccc(F)cc2)C3)CC1 ZINC000019016871 507153258 /nfs/dbraw/zinc/15/32/58/507153258.db2.gz XRTYWFFILKHOFT-UHFFFAOYSA-N 1 2 368.456 2.900 40 0 FFABLO CC(=O)N1CCC(c2ncc3c(n2)CC[N@H+](Cc2ccc(F)cc2)C3)CC1 ZINC000019016871 507153267 /nfs/dbraw/zinc/15/32/67/507153267.db2.gz XRTYWFFILKHOFT-UHFFFAOYSA-N 1 2 368.456 2.900 40 0 FFABLO Cc1cccc(OCCC[NH+]2CCN(C(=O)c3cncc(O)c3)CC2)c1C ZINC000019235721 507159679 /nfs/dbraw/zinc/15/96/79/507159679.db2.gz YSKVDCDNXXCCJS-UHFFFAOYSA-N 1 2 369.465 2.631 40 0 FFABLO Cc1csc2c(C3CCN(C(=O)[C@H](C)Cn4cncn4)CC3)[nH+]c(C)n12 ZINC000019240534 507161398 /nfs/dbraw/zinc/16/13/98/507161398.db2.gz UXTGIUKVVDEUTJ-GFCCVEGCSA-N 1 2 372.498 2.646 40 0 FFABLO COc1cccc([C@@H](NC(=O)c2ccn(C(F)F)n2)c2[nH+]ccn2C)c1 ZINC000019291244 507163004 /nfs/dbraw/zinc/16/30/04/507163004.db2.gz BBBXFWCVWXNYLJ-CQSZACIVSA-N 1 2 361.352 2.540 40 0 FFABLO O=c1[nH]c(-c2ccncc2)nc2c1C[N@H+](Cc1cccc(F)c1F)CC2 ZINC000019292754 507165486 /nfs/dbraw/zinc/16/54/86/507165486.db2.gz IXNGSNQJJCZIOA-UHFFFAOYSA-N 1 2 354.360 2.668 40 0 FFABLO O=c1[nH]c(-c2ccncc2)nc2c1C[N@@H+](Cc1cccc(F)c1F)CC2 ZINC000019292754 507165492 /nfs/dbraw/zinc/16/54/92/507165492.db2.gz IXNGSNQJJCZIOA-UHFFFAOYSA-N 1 2 354.360 2.668 40 0 FFABLO COc1cccc(C[N@@H+]2CCC[C@H](c3ncccc3S(C)(=O)=O)C2)c1 ZINC000019565097 507180613 /nfs/dbraw/zinc/18/06/13/507180613.db2.gz VIDIYKNWXOVBQW-INIZCTEOSA-N 1 2 360.479 2.873 40 0 FFABLO COc1cccc(C[N@H+]2CCC[C@H](c3ncccc3S(C)(=O)=O)C2)c1 ZINC000019565097 507180617 /nfs/dbraw/zinc/18/06/17/507180617.db2.gz VIDIYKNWXOVBQW-INIZCTEOSA-N 1 2 360.479 2.873 40 0 FFABLO C[N@@H+]1CCCC[C@@H]1c1ncc2c(n1)CCN(C(=O)c1cccc(F)c1)C2 ZINC000019588956 507184533 /nfs/dbraw/zinc/18/45/33/507184533.db2.gz DJACJBGUVGXNQK-GOSISDBHSA-N 1 2 354.429 2.971 40 0 FFABLO C[N@H+]1CCCC[C@@H]1c1ncc2c(n1)CCN(C(=O)c1cccc(F)c1)C2 ZINC000019588956 507184539 /nfs/dbraw/zinc/18/45/39/507184539.db2.gz DJACJBGUVGXNQK-GOSISDBHSA-N 1 2 354.429 2.971 40 0 FFABLO COc1ccc(OC)c([C@@H]2CCC[N@@H+]2CC(=O)NCc2ccccn2)c1 ZINC000019656730 507187399 /nfs/dbraw/zinc/18/73/99/507187399.db2.gz JBLNCQAUXWPIAF-SFHVURJKSA-N 1 2 355.438 2.552 40 0 FFABLO COc1ccc(OC)c([C@@H]2CCC[N@H+]2CC(=O)NCc2ccccn2)c1 ZINC000019656730 507187412 /nfs/dbraw/zinc/18/74/12/507187412.db2.gz JBLNCQAUXWPIAF-SFHVURJKSA-N 1 2 355.438 2.552 40 0 FFABLO CC(=O)N[C@H]1C[C@@H](c2nc(-c3ccc(OC(F)(F)F)cc3)no2)[N@H+](C)C1 ZINC000020464054 507222771 /nfs/dbraw/zinc/22/27/71/507222771.db2.gz CCPHKIPNKVFAOA-AAEUAGOBSA-N 1 2 370.331 2.517 40 0 biogenic,in-vitro FFABLO CC(=O)N[C@H]1C[C@@H](c2nc(-c3ccc(OC(F)(F)F)cc3)no2)[N@@H+](C)C1 ZINC000020464054 507222776 /nfs/dbraw/zinc/22/27/76/507222776.db2.gz CCPHKIPNKVFAOA-AAEUAGOBSA-N 1 2 370.331 2.517 40 0 biogenic,in-vitro FFABLO CCNc1nc(N2CC[NH+](C)CC2)nc2c1C(=O)C[C@H](c1ccccc1)C2 ZINC000020801830 507234835 /nfs/dbraw/zinc/23/48/35/507234835.db2.gz WCWFVSIFYVKWDU-MRXNPFEDSA-N 1 2 365.481 2.573 40 0 FFABLO O=C(c1ccc(F)cc1)N1CCC[C@@H](c2nccnc2-n2cc[nH+]c2)C1 ZINC000072350530 507779305 /nfs/dbraw/zinc/77/93/05/507779305.db2.gz BBRBJUFPPIVEEJ-OAHLLOKOSA-N 1 2 351.385 2.821 40 0 FFABLO COc1cccc(C(=O)N2CC3(C2)OCC[C@@H]3CCNc2cccc[nH+]2)c1 ZINC000248143949 509245277 /nfs/dbraw/zinc/24/52/77/509245277.db2.gz RMIWOXUTHVCZKN-KRWDZBQOSA-N 1 2 367.449 2.824 40 0 FFABLO COc1ccc(NC(=O)Nc2c[nH+]c(N3CCCC3)nc2N(C)C)cc1 ZINC000224141752 509354863 /nfs/dbraw/zinc/35/48/63/509354863.db2.gz VKXDYEWHQAOZLO-UHFFFAOYSA-N 1 2 356.430 2.795 40 0 FFABLO Cc1ccc(NC(=S)NCc2ccccc2C[NH+]2CCOCC2)nc1 ZINC000225778942 509388415 /nfs/dbraw/zinc/38/84/15/509388415.db2.gz PPMJIPRWVHDVQX-UHFFFAOYSA-N 1 2 356.495 2.709 40 0 FFABLO Cc1ccnc(OCC[C@@H]2CCOC3(C[NH+](Cc4ccccn4)C3)C2)n1 ZINC000253477576 509884088 /nfs/dbraw/zinc/88/40/88/509884088.db2.gz GNCKAFNPDCDLFX-QGZVFWFLSA-N 1 2 354.454 2.630 40 0 FFABLO O=C(Nc1cnccn1)c1cccc([C@@H]2CCC[N@@H+]2Cc2cncs2)n1 ZINC000257222919 509959006 /nfs/dbraw/zinc/95/90/06/509959006.db2.gz DVDYJFSEXZSOQJ-INIZCTEOSA-N 1 2 366.450 2.918 40 0 FFABLO O=C(Nc1cnccn1)c1cccc([C@@H]2CCC[N@H+]2Cc2cncs2)n1 ZINC000257222919 509959011 /nfs/dbraw/zinc/95/90/11/509959011.db2.gz DVDYJFSEXZSOQJ-INIZCTEOSA-N 1 2 366.450 2.918 40 0 FFABLO CO[C@H]1CC[C@H](C(=O)N2CCc3nc([C@@H]4CCCC[N@@H+]4C)ncc3C2)CC1 ZINC000257243954 509964014 /nfs/dbraw/zinc/96/40/14/509964014.db2.gz IJGYTBPYIOMAEV-IEZWGBDMSA-N 1 2 372.513 2.723 40 0 FFABLO CO[C@H]1CC[C@H](C(=O)N2CCc3nc([C@@H]4CCCC[N@H+]4C)ncc3C2)CC1 ZINC000257243954 509964021 /nfs/dbraw/zinc/96/40/21/509964021.db2.gz IJGYTBPYIOMAEV-IEZWGBDMSA-N 1 2 372.513 2.723 40 0 FFABLO c1cc(COC[C@H]2CCOC23C[NH+](Cc2ccc4c(c2)OCO4)C3)ccn1 ZINC000247820665 510871272 /nfs/dbraw/zinc/87/12/72/510871272.db2.gz CYPXSBJVJKNRSW-GOSISDBHSA-N 1 2 368.433 2.618 40 0 FFABLO COc1cccc(C[NH+]2CC3(C2)OCC[C@H]3COCc2ccccn2)c1 ZINC000247870308 510871755 /nfs/dbraw/zinc/87/17/55/510871755.db2.gz CVDOKEJFRCVNLH-SFHVURJKSA-N 1 2 354.450 2.898 40 0 FFABLO CNc1nc(NCc2cccc(Br)c2)cc(-c2ccncc2)[nH+]1 ZINC000328960574 511957703 /nfs/dbraw/zinc/95/77/03/511957703.db2.gz AZFGZNBPABQREG-UHFFFAOYSA-N 1 2 370.254 2.799 40 0 FFABLO C[C@H](CO)Nc1nc(Nc2ccc(F)c(F)c2)cc(-c2ccccc2)[nH+]1 ZINC000328969338 511957806 /nfs/dbraw/zinc/95/78/06/511957806.db2.gz DDMPGFMPCNOFIO-GFCCVEGCSA-N 1 2 356.376 2.802 40 0 FFABLO Cc1nc2cc(Nc3cc(C4CC4)[nH+]c(N[C@H](C)CO)n3)ccc2s1 ZINC000329026203 511969707 /nfs/dbraw/zinc/96/97/07/511969707.db2.gz PKMXYRTVVJMGEW-SNVBAGLBSA-N 1 2 355.467 2.652 40 0 FFABLO COc1ccc(Cl)cc1Nc1cc(-c2ccccc2)[nH+]c(NCCO)n1 ZINC000329038656 511972304 /nfs/dbraw/zinc/97/23/04/511972304.db2.gz RTYYHTUKUWZZPB-UHFFFAOYSA-N 1 2 370.840 2.797 40 0 FFABLO C[C@@H](CO)Nc1nc(NCc2cc(F)cc(F)c2)cc(-c2ccccc2)[nH+]1 ZINC000329058966 511975485 /nfs/dbraw/zinc/97/54/85/511975485.db2.gz WECRXEPSWSVEGL-ZDUSSCGKSA-N 1 2 370.403 2.670 40 0 FFABLO OCCCNc1nc(NCc2cccc(F)c2)cc(-c2ccccc2)[nH+]1 ZINC000329068970 511976135 /nfs/dbraw/zinc/97/61/35/511976135.db2.gz YTCLCDVKKLUVST-UHFFFAOYSA-N 1 2 352.413 2.533 40 0 FFABLO Fc1cc(F)cc(CNc2cc(-c3ccncc3)[nH+]c(NC3CC3)n2)c1 ZINC000329064085 511976811 /nfs/dbraw/zinc/97/68/11/511976811.db2.gz XHPZPXJYBZZATN-UHFFFAOYSA-N 1 2 353.376 2.847 40 0 FFABLO O=C(NCC[C@H]1C[N@H+](Cc2ccccc2)Cc2ccnn21)c1cscn1 ZINC000585112348 518544613 /nfs/dbraw/zinc/54/46/13/518544613.db2.gz NTBAHFXUHHRSMS-INIZCTEOSA-N 1 2 367.478 2.717 40 0 FFABLO O=C(NCC[C@H]1C[N@@H+](Cc2ccccc2)Cc2ccnn21)c1cscn1 ZINC000585112348 518544617 /nfs/dbraw/zinc/54/46/17/518544617.db2.gz NTBAHFXUHHRSMS-INIZCTEOSA-N 1 2 367.478 2.717 40 0 FFABLO Cc1c(C[N@@H+]2CCO[C@@H](c3cncc(-c4ccccc4F)n3)C2)cnn1C ZINC000257294064 223054162 /nfs/dbraw/zinc/05/41/62/223054162.db2.gz QSGYLZSBVWBFAU-HXUWFJFHSA-N 1 2 367.428 2.898 40 0 FFABLO Cc1c(C[N@H+]2CCO[C@@H](c3cncc(-c4ccccc4F)n3)C2)cnn1C ZINC000257294064 223054165 /nfs/dbraw/zinc/05/41/65/223054165.db2.gz QSGYLZSBVWBFAU-HXUWFJFHSA-N 1 2 367.428 2.898 40 0 FFABLO O=S(=O)(c1ccccc1)N1C[C@@H]2C[N@@H+](Cc3ccc(Cl)cc3)[C@@H]2C1 ZINC000096244851 209144458 /nfs/dbraw/zinc/14/44/58/209144458.db2.gz PFKXLCLJBIBAAD-MAUKXSAKSA-N 1 2 362.882 2.845 40 0 FFABLO O=S(=O)(c1ccccc1)N1C[C@@H]2C[N@H+](Cc3ccc(Cl)cc3)[C@@H]2C1 ZINC000096244851 209144460 /nfs/dbraw/zinc/14/44/60/209144460.db2.gz PFKXLCLJBIBAAD-MAUKXSAKSA-N 1 2 362.882 2.845 40 0 FFABLO COC[C@H]1Cn2c[nH+]cc2CN(C(=O)Cc2csc3ccccc23)C1 ZINC000096209293 209136390 /nfs/dbraw/zinc/13/63/90/209136390.db2.gz ROZGGYZRVKWZSG-CQSZACIVSA-N 1 2 355.463 2.945 40 0 FFABLO CCc1nnc(NC(=O)C2CCN(c3[nH+]c4ccccc4n3C)CC2)s1 ZINC000012116305 207339950 /nfs/dbraw/zinc/33/99/50/207339950.db2.gz YNCVKNPRRVVEDY-UHFFFAOYSA-N 1 2 370.482 2.842 40 0 FFABLO CCn1c2ccccc2[nH+]c1N1CCC(C(=O)NCc2cccnc2)CC1 ZINC000012116372 207340004 /nfs/dbraw/zinc/34/00/04/207340004.db2.gz YTXHTBMKFPVHEN-UHFFFAOYSA-N 1 2 363.465 2.984 40 0 FFABLO O=C1N(C2CCCCC2)C[C@H]2C[N@H+](Cc3ccc4c(c3)OCCO4)CCN12 ZINC000077266921 208197854 /nfs/dbraw/zinc/19/78/54/208197854.db2.gz COLXJDOCVHXODE-GOSISDBHSA-N 1 2 371.481 2.712 40 0 biogenic,in-vitro FFABLO O=C1N(C2CCCCC2)C[C@H]2C[N@@H+](Cc3ccc4c(c3)OCCO4)CCN12 ZINC000077266921 208197859 /nfs/dbraw/zinc/19/78/59/208197859.db2.gz COLXJDOCVHXODE-GOSISDBHSA-N 1 2 371.481 2.712 40 0 biogenic,in-vitro FFABLO Cc1cc(Br)cc(C)c1NC(=S)NCC[NH+]1CCOCC1 ZINC000044195243 208311425 /nfs/dbraw/zinc/31/14/25/208311425.db2.gz BCVKLCRDFVJFER-UHFFFAOYSA-N 1 2 372.332 2.685 40 0 FFABLO CC(C)n1c[nH+]c2c1[C@H](C(=O)N1CCCO1)N(Cc1ccccc1)CC2 ZINC000096037530 209098779 /nfs/dbraw/zinc/09/87/79/209098779.db2.gz ZTBDMUVSBCZKFF-LJQANCHMSA-N 1 2 354.454 2.727 40 0 FFABLO Fc1ccc(-n2ccc(-c3nc([C@H]4C[N@@H+]5CCCC[C@H]5CO4)no3)n2)cc1 ZINC000278133061 256280193 /nfs/dbraw/zinc/28/01/93/256280193.db2.gz RFTDDZKBOSGWOQ-DOTOQJQBSA-N 1 2 369.400 2.987 40 0 FFABLO Fc1ccc(-n2ccc(-c3nc([C@H]4C[N@H+]5CCCC[C@H]5CO4)no3)n2)cc1 ZINC000278133061 256280194 /nfs/dbraw/zinc/28/01/94/256280194.db2.gz RFTDDZKBOSGWOQ-DOTOQJQBSA-N 1 2 369.400 2.987 40 0 FFABLO O=C(c1ccc2n[nH]nc2c1)N1CCC(Cc2[nH]c3ccccc3[nH+]2)CC1 ZINC000329115385 258129821 /nfs/dbraw/zinc/12/98/21/258129821.db2.gz SUECCUITGMFSHC-UHFFFAOYSA-N 1 2 360.421 2.929 40 0 FFABLO C[C@H]1[C@@H](c2ccccc2)CC[N@@H+]1CC1=Nc2ccccc2S(=O)(=O)N1 ZINC000333030713 258245982 /nfs/dbraw/zinc/24/59/82/258245982.db2.gz MBENTFJNOKMBRC-HOCLYGCPSA-N 1 2 355.463 2.887 40 0 FFABLO C[C@H]1[C@@H](c2ccccc2)CC[N@H+]1CC1=Nc2ccccc2S(=O)(=O)N1 ZINC000333030713 258245983 /nfs/dbraw/zinc/24/59/83/258245983.db2.gz MBENTFJNOKMBRC-HOCLYGCPSA-N 1 2 355.463 2.887 40 0 FFABLO Cc1cc2occ(CC(=O)NCC[NH+]3CCOCC3)c2c(C)c1Cl ZINC000039892888 506453862 /nfs/dbraw/zinc/45/38/62/506453862.db2.gz GSSALCHGPCXUEO-UHFFFAOYSA-N 1 2 350.846 2.694 40 0 FFABLO Cc1ccc(N2C(=O)[C@H]3[C@H]4CCC[N@@H+]4[C@H](C(=O)c4ccccc4)[C@@H]3C2=O)cc1 ZINC000009319340 506689857 /nfs/dbraw/zinc/68/98/57/506689857.db2.gz OMZRRIFLLAJNSQ-WCIQWLHISA-N 1 2 374.440 2.830 40 0 FFABLO Cc1ccc(N2C(=O)[C@H]3[C@H]4CCC[N@H+]4[C@H](C(=O)c4ccccc4)[C@@H]3C2=O)cc1 ZINC000009319340 506689860 /nfs/dbraw/zinc/68/98/60/506689860.db2.gz OMZRRIFLLAJNSQ-WCIQWLHISA-N 1 2 374.440 2.830 40 0 FFABLO CC(C)c1nc2ccccc2n1C[C@H](C)C(=O)NC[C@H](C)[NH+]1CCOCC1 ZINC000019453883 507172394 /nfs/dbraw/zinc/17/23/94/507172394.db2.gz FWFGZYGJLNNRAL-IRXDYDNUSA-N 1 2 372.513 2.633 40 0 FFABLO CCn1cc(C[N@@H+]2CCc3c(nc4cc(C(C)(C)C)[nH]n4c3=O)C2)c(C)n1 ZINC000019524600 507175457 /nfs/dbraw/zinc/17/54/57/507175457.db2.gz KUXYKIOZKUJSHH-UHFFFAOYSA-N 1 2 368.485 2.816 40 0 FFABLO CCn1cc(C[N@H+]2CCc3c(nc4cc(C(C)(C)C)[nH]n4c3=O)C2)c(C)n1 ZINC000019524600 507175462 /nfs/dbraw/zinc/17/54/62/507175462.db2.gz KUXYKIOZKUJSHH-UHFFFAOYSA-N 1 2 368.485 2.816 40 0 FFABLO Cc1cc(N2CCOCC2)[nH+]cc1C(=O)CCCNC(=O)OC(C)(C)C ZINC000072219384 507770728 /nfs/dbraw/zinc/77/07/28/507770728.db2.gz AOKNOLIJEYTZBF-UHFFFAOYSA-N 1 2 363.458 2.714 40 0 FFABLO CC(C)(C)c1n[nH]cc1C[N@H+]1CCc2nc3ccsc3c(=O)n2CC1 ZINC000072397022 507782345 /nfs/dbraw/zinc/78/23/45/507782345.db2.gz JAGLBTLOAQDNNZ-UHFFFAOYSA-N 1 2 357.483 2.537 40 0 FFABLO CC(C)(C)c1n[nH]cc1C[N@@H+]1CCc2nc3ccsc3c(=O)n2CC1 ZINC000072397022 507782346 /nfs/dbraw/zinc/78/23/46/507782346.db2.gz JAGLBTLOAQDNNZ-UHFFFAOYSA-N 1 2 357.483 2.537 40 0 FFABLO CNC(=O)[C@@H](c1ccc(Cl)cc1)[N@@H+]1CCC[C@H]1C(=O)N1CCCCC1 ZINC000096113141 508207017 /nfs/dbraw/zinc/20/70/17/508207017.db2.gz DJDDDJVMHZSNPQ-DLBZAZTESA-N 1 2 363.889 2.604 40 0 biogenic,in-vitro FFABLO CNC(=O)[C@@H](c1ccc(Cl)cc1)[N@H+]1CCC[C@H]1C(=O)N1CCCCC1 ZINC000096113141 508207020 /nfs/dbraw/zinc/20/70/20/508207020.db2.gz DJDDDJVMHZSNPQ-DLBZAZTESA-N 1 2 363.889 2.604 40 0 biogenic,in-vitro FFABLO COc1cccc(C[N@H+]2Cc3ccnn3C[C@H](OCc3ccncc3)C2)c1 ZINC000247945989 509195292 /nfs/dbraw/zinc/19/52/92/509195292.db2.gz ZLHUXXHWVDKICZ-OAQYLSRUSA-N 1 2 364.449 2.888 40 0 FFABLO COc1cccc(C[N@@H+]2Cc3ccnn3C[C@H](OCc3ccncc3)C2)c1 ZINC000247945989 509195294 /nfs/dbraw/zinc/19/52/94/509195294.db2.gz ZLHUXXHWVDKICZ-OAQYLSRUSA-N 1 2 364.449 2.888 40 0 FFABLO Cc1cc(C(=O)N2Cc3c[nH+]cn3[C@H](COCc3ccccn3)C2)c(C)o1 ZINC000248004694 509214861 /nfs/dbraw/zinc/21/48/61/509214861.db2.gz GXABGJKSDYGTTR-SFHVURJKSA-N 1 2 366.421 2.902 40 0 FFABLO COc1ccccc1C[N@H+]1Cc2ccnn2C[C@H](OCc2ccccn2)C1 ZINC000248145102 509247586 /nfs/dbraw/zinc/24/75/86/509247586.db2.gz SCESFQGNYYHCBF-HXUWFJFHSA-N 1 2 364.449 2.888 40 0 FFABLO COc1ccccc1C[N@@H+]1Cc2ccnn2C[C@H](OCc2ccccn2)C1 ZINC000248145102 509247594 /nfs/dbraw/zinc/24/75/94/509247594.db2.gz SCESFQGNYYHCBF-HXUWFJFHSA-N 1 2 364.449 2.888 40 0 FFABLO C[C@@H](Oc1ccccc1)C(=O)Nc1c[nH+]c(N2CCCC2)nc1N(C)C ZINC000224352935 509357539 /nfs/dbraw/zinc/35/75/39/509357539.db2.gz YFBYBCUCNUQPTC-CQSZACIVSA-N 1 2 355.442 2.549 40 0 FFABLO Cc1[nH+]cc(-c2nccnc2[C@@H]2CCCN(C(=O)c3cccnc3)C2)n1C ZINC000257266229 509968157 /nfs/dbraw/zinc/96/81/57/509968157.db2.gz MCBKTEWNMCVYHK-MRXNPFEDSA-N 1 2 362.437 2.600 40 0 FFABLO CSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@@H]2c1ccsc1 ZINC000261362173 509984881 /nfs/dbraw/zinc/98/48/81/509984881.db2.gz HCPGTGBZJCYHKM-INIZCTEOSA-O 1 2 371.467 2.834 40 0 FFABLO C[C@H](c1nccs1)[NH+]1CCN(c2ncnc3c2ncn3C2CC2)CC1 ZINC000292676035 511681505 /nfs/dbraw/zinc/68/15/05/511681505.db2.gz IELLYJTXKSAPND-GFCCVEGCSA-N 1 2 355.471 2.501 40 0 FFABLO Fc1cccc(C[N@H+]2Cc3ccnn3C[C@@H](CNc3ncccn3)C2)c1 ZINC000306136356 511760967 /nfs/dbraw/zinc/76/09/67/511760967.db2.gz PQZJHUGCGLUNFR-INIZCTEOSA-N 1 2 352.417 2.556 40 0 FFABLO Fc1cccc(C[N@@H+]2Cc3ccnn3C[C@@H](CNc3ncccn3)C2)c1 ZINC000306136356 511760971 /nfs/dbraw/zinc/76/09/71/511760971.db2.gz PQZJHUGCGLUNFR-INIZCTEOSA-N 1 2 352.417 2.556 40 0 FFABLO OCCCNc1nc(Nc2ccc(F)cc2F)cc(-c2ccccc2)[nH+]1 ZINC000329004301 511966187 /nfs/dbraw/zinc/96/61/87/511966187.db2.gz KRASULBDPLMOOW-UHFFFAOYSA-N 1 2 356.376 2.804 40 0 FFABLO CNc1nc(Nc2ccc(C(=O)OC)c(OC)c2)cc(-c2ccccc2)[nH+]1 ZINC000329032270 511970760 /nfs/dbraw/zinc/97/07/60/511970760.db2.gz QOGOIFVCTXJTMN-UHFFFAOYSA-N 1 2 364.405 2.568 40 0 FFABLO C[C@@H](CO)Nc1nc(Nc2ccccc2OC(F)(F)F)cc(C2CC2)[nH+]1 ZINC000329071089 511977339 /nfs/dbraw/zinc/97/73/39/511977339.db2.gz ZMZHYNICRKLQNH-JTQLQIEISA-N 1 2 368.359 2.633 40 0 FFABLO Cc1cc(CN2CCn3c(CCOc4ccccn4)c[nH+]c3[C@H]2C)[nH]n1 ZINC000585098760 518534842 /nfs/dbraw/zinc/53/48/42/518534842.db2.gz ZICZNDGSLZLNDQ-OAHLLOKOSA-N 1 2 352.442 2.508 40 0 FFABLO Cc1cc(C[NH+]2CC3(C2)C[C@@H](OCc2cccc(C)n2)CS3)n(C)n1 ZINC000585105398 518540656 /nfs/dbraw/zinc/54/06/56/518540656.db2.gz VZOPGWLEVIVMEL-GOSISDBHSA-N 1 2 358.511 2.709 40 0 FFABLO O=C(c1ccc2c(c1)OCO2)N1CCc2[nH+]cc(-c3ccccc3)n2CC1 ZINC000585111182 518544471 /nfs/dbraw/zinc/54/44/71/518544471.db2.gz HZFWWMLXVPBUBQ-UHFFFAOYSA-N 1 2 361.401 2.977 40 0 FFABLO COc1ccc(CN2C[C@H]3C[N@H+](Cc4cccc(C)n4)CCN3C2=O)cc1 ZINC000085436199 524043131 /nfs/dbraw/zinc/04/31/31/524043131.db2.gz YKGXNMOFAGESRK-LJQANCHMSA-N 1 2 366.465 2.521 40 0 biogenic,in-vitro FFABLO COc1ccc(CN2C[C@H]3C[N@@H+](Cc4cccc(C)n4)CCN3C2=O)cc1 ZINC000085436199 524043133 /nfs/dbraw/zinc/04/31/33/524043133.db2.gz YKGXNMOFAGESRK-LJQANCHMSA-N 1 2 366.465 2.521 40 0 biogenic,in-vitro FFABLO O=C(CSCc1ccc(Cl)c(Cl)c1)NCC[NH+]1CCOCC1 ZINC000020456291 527022825 /nfs/dbraw/zinc/02/28/25/527022825.db2.gz AAZOIPXZEKZTMV-UHFFFAOYSA-N 1 2 363.310 2.675 40 0 FFABLO COc1cccc(OCCNC(=O)c2ccc(Cn3cc[nH+]c3)cc2)c1 ZINC000107610359 209276771 /nfs/dbraw/zinc/27/67/71/209276771.db2.gz CAYUZCUHODJLQP-UHFFFAOYSA-N 1 2 351.406 2.749 40 0 FFABLO O=C(NCc1ccco1)[C@@H]1Cc2[nH]c[nH+]c2CN1Cc1ccc(Cl)cc1 ZINC000015676296 220161037 /nfs/dbraw/zinc/16/10/37/220161037.db2.gz LSASQWTXFYVUBM-SFHVURJKSA-N 1 2 370.840 2.899 40 0 biogenic,in-vitro FFABLO O=C(NCc1ccco1)[C@@H]1Cc2[nH+]c[nH]c2CN1Cc1ccc(Cl)cc1 ZINC000015676296 220161038 /nfs/dbraw/zinc/16/10/38/220161038.db2.gz LSASQWTXFYVUBM-SFHVURJKSA-N 1 2 370.840 2.899 40 0 biogenic,in-vitro FFABLO Nc1nc(N2CCCC2)[nH+]c2c1CCN(Cc1ccc3ncccc3c1)C2 ZINC000012142841 207342513 /nfs/dbraw/zinc/34/25/13/207342513.db2.gz SDRWTXRTJKDSSH-UHFFFAOYSA-N 1 2 360.465 2.766 40 0 FFABLO CCc1cccc2c(CC(=O)N[C@@H](CC)C[NH+]3CCOCC3)c(C)[nH]c21 ZINC000019523026 207674173 /nfs/dbraw/zinc/67/41/73/207674173.db2.gz FCRDBAXDLJMTJJ-KRWDZBQOSA-N 1 2 357.498 2.808 40 0 FFABLO Cc1ccc(CN2CCn3cc(C[N@@H+](C)Cc4cccnc4)nc3C2)o1 ZINC000096059545 209105366 /nfs/dbraw/zinc/10/53/66/209105366.db2.gz FVRGFQSDAOYUIW-UHFFFAOYSA-N 1 2 351.454 2.827 40 0 FFABLO Cc1ccc(CN2CCn3cc(C[N@H+](C)Cc4cccnc4)nc3C2)o1 ZINC000096059545 209105368 /nfs/dbraw/zinc/10/53/68/209105368.db2.gz FVRGFQSDAOYUIW-UHFFFAOYSA-N 1 2 351.454 2.827 40 0 FFABLO CCc1[nH+]ccn1-c1cncc(C2CCN(C(=O)c3cccnc3)CC2)n1 ZINC000072355344 208838127 /nfs/dbraw/zinc/83/81/27/208838127.db2.gz MANOUQSRFAHTKT-UHFFFAOYSA-N 1 2 362.437 2.640 40 0 FFABLO CC(C)COC[C@H]1CN(Cc2ccc3c(c2)OCO3)Cc2[nH+]cn(C)c21 ZINC000096044845 209099234 /nfs/dbraw/zinc/09/92/34/209099234.db2.gz RXQFFTHFVHUTLB-MRXNPFEDSA-N 1 2 357.454 2.921 40 0 FFABLO CC(C)COC[C@H]1C[N@H+](Cc2ccc3c(c2)OCO3)Cc2ncn(C)c21 ZINC000096044845 209099239 /nfs/dbraw/zinc/09/92/39/209099239.db2.gz RXQFFTHFVHUTLB-MRXNPFEDSA-N 1 2 357.454 2.921 40 0 FFABLO CC(C)COC[C@H]1C[N@@H+](Cc2ccc3c(c2)OCO3)Cc2ncn(C)c21 ZINC000096044845 209099241 /nfs/dbraw/zinc/09/92/41/209099241.db2.gz RXQFFTHFVHUTLB-MRXNPFEDSA-N 1 2 357.454 2.921 40 0 FFABLO C[C@@H]1CCCC[C@@H]1NC(=O)CN1c2ccccc2C2=[NH+]CCCN2C1=O ZINC000072335718 136144547 /nfs/dbraw/zinc/14/45/47/136144547.db2.gz NVCFNXVPWHHNSD-ZBFHGGJFSA-N 1 2 354.454 2.774 40 0 FFABLO Cc1ccc2[nH]c(Cc3ccc(NC(=O)C4=NNC(=O)CC4)cc3)[nH+]c2c1 ZINC000035317004 506379903 /nfs/dbraw/zinc/37/99/03/506379903.db2.gz LYENZHKMWLJRCZ-UHFFFAOYSA-N 1 2 361.405 2.667 40 0 FFABLO COC(=O)C1=C(C(=O)OC)[C@@H]2CCC[C@H]1[C@H]1[C@@H]2N=[NH+]N1c1ccccc1 ZINC000005496777 506446010 /nfs/dbraw/zinc/44/60/10/506446010.db2.gz VJUBMAIKLRQXPC-IXKJSCDLSA-N 1 2 355.394 2.684 40 0 FFABLO CC1CCN(c2nc3c(c(=O)[nH]2)CC[N@H+](Cc2ccc(F)cc2)C3)CC1 ZINC000012184328 506829999 /nfs/dbraw/zinc/82/99/99/506829999.db2.gz SUFDMBWVRCAESW-UHFFFAOYSA-N 1 2 356.445 2.704 40 0 FFABLO CC1CCN(c2nc3c(c(=O)[nH]2)CC[N@@H+](Cc2ccc(F)cc2)C3)CC1 ZINC000012184328 506830008 /nfs/dbraw/zinc/83/00/08/506830008.db2.gz SUFDMBWVRCAESW-UHFFFAOYSA-N 1 2 356.445 2.704 40 0 FFABLO Cc1ccc(C(=O)N[C@H]2C[C@@H](c3nc(-c4cccnc4)no3)[N@H+](C)C2)cc1 ZINC000012529870 506872302 /nfs/dbraw/zinc/87/23/02/506872302.db2.gz LGZDEOJFYCTCMD-IRXDYDNUSA-N 1 2 363.421 2.615 40 0 biogenic,in-vitro FFABLO Cc1ccc(C(=O)N[C@H]2C[C@@H](c3nc(-c4cccnc4)no3)[N@@H+](C)C2)cc1 ZINC000012529870 506872307 /nfs/dbraw/zinc/87/23/07/506872307.db2.gz LGZDEOJFYCTCMD-IRXDYDNUSA-N 1 2 363.421 2.615 40 0 biogenic,in-vitro FFABLO Cc1ccc(-c2noc([C@@H]3Cc4[nH]c[nH+]c4CN3C(=O)NC(C)C)n2)cc1 ZINC000015675810 507054440 /nfs/dbraw/zinc/05/44/40/507054440.db2.gz AYDJDHXXFFBFPO-INIZCTEOSA-N 1 2 366.425 2.986 40 0 biogenic,in-vitro FFABLO Cc1ccc(-c2noc([C@@H]3Cc4[nH+]c[nH]c4CN3C(=O)NC(C)C)n2)cc1 ZINC000015675810 507054444 /nfs/dbraw/zinc/05/44/44/507054444.db2.gz AYDJDHXXFFBFPO-INIZCTEOSA-N 1 2 366.425 2.986 40 0 biogenic,in-vitro FFABLO Cc1ccc(C)c([C@@H](O)C[NH+]2CCN(C(=O)c3ccccc3F)CC2)c1 ZINC000019132070 507155492 /nfs/dbraw/zinc/15/54/92/507155492.db2.gz FIYWEPYIIYQZML-FQEVSTJZSA-N 1 2 356.441 2.934 40 0 FFABLO Cc1csc2c(C3CCN(C(=O)C[C@@H](C)n4cncn4)CC3)[nH+]c(C)n12 ZINC000019240537 507162206 /nfs/dbraw/zinc/16/22/06/507162206.db2.gz OKULLMBEGMCUII-GFCCVEGCSA-N 1 2 372.498 2.961 40 0 FFABLO COc1ccc(OC)c(C[N@H+]2CCc3nc4ccsc4c(=O)n3CC2)c1 ZINC000019551683 507179307 /nfs/dbraw/zinc/17/93/07/507179307.db2.gz ZOXADVUYSVTSBR-UHFFFAOYSA-N 1 2 371.462 2.534 40 0 FFABLO COc1ccc(OC)c(C[N@@H+]2CCc3nc4ccsc4c(=O)n3CC2)c1 ZINC000019551683 507179315 /nfs/dbraw/zinc/17/93/15/507179315.db2.gz ZOXADVUYSVTSBR-UHFFFAOYSA-N 1 2 371.462 2.534 40 0 FFABLO Cc1c(C[N@@H+]2CCN(C3CCCC3)C(=O)C2)c(-c2ccccc2)nn1C ZINC000019658568 507187800 /nfs/dbraw/zinc/18/78/00/507187800.db2.gz DTUSVSAZUZFURM-UHFFFAOYSA-N 1 2 352.482 2.982 40 0 FFABLO Cc1c(C[N@H+]2CCN(C3CCCC3)C(=O)C2)c(-c2ccccc2)nn1C ZINC000019658568 507187807 /nfs/dbraw/zinc/18/78/07/507187807.db2.gz DTUSVSAZUZFURM-UHFFFAOYSA-N 1 2 352.482 2.982 40 0 FFABLO COc1cccc(C[N@@H+](Cc2cnn(C)c2C)C[C@H]2CCCO2)c1OC ZINC000057810940 507333028 /nfs/dbraw/zinc/33/30/28/507333028.db2.gz OABJIXNMAAKQQB-GOSISDBHSA-N 1 2 359.470 2.927 40 0 FFABLO COc1cccc(C[N@H+](Cc2cnn(C)c2C)C[C@H]2CCCO2)c1OC ZINC000057810940 507333033 /nfs/dbraw/zinc/33/30/33/507333033.db2.gz OABJIXNMAAKQQB-GOSISDBHSA-N 1 2 359.470 2.927 40 0 FFABLO CC(C)(C)OC(=O)N1CCN(c2ccc([C@@H]3CCCCN3C=O)c[nH+]2)CC1 ZINC000072216434 507770770 /nfs/dbraw/zinc/77/07/70/507770770.db2.gz DTGNTKAKPUKGRR-KRWDZBQOSA-N 1 2 374.485 2.822 40 0 FFABLO CCOc1ccc([C@H]([NH3+])c2nc(CNc3ccccc3)n[nH]2)cc1OC ZINC000095534252 508197948 /nfs/dbraw/zinc/19/79/48/508197948.db2.gz DYBLHEJNDLJUIE-SFHVURJKSA-N 1 2 353.426 2.872 40 0 FFABLO CCOc1ccc([C@H]([NH3+])c2nnc(CNc3ccccc3)[nH]2)cc1OC ZINC000095534252 508197951 /nfs/dbraw/zinc/19/79/51/508197951.db2.gz DYBLHEJNDLJUIE-SFHVURJKSA-N 1 2 353.426 2.872 40 0 FFABLO CCOc1ccc([C@H]([NH3+])c2n[nH]c(CNc3ccccc3)n2)cc1OC ZINC000095534252 508197955 /nfs/dbraw/zinc/19/79/55/508197955.db2.gz DYBLHEJNDLJUIE-SFHVURJKSA-N 1 2 353.426 2.872 40 0 FFABLO COCCN1c2ccccc2O[C@H]2C[C@@H](C1=O)[N@H+](Cc1ccccc1F)C2 ZINC000096111938 508206178 /nfs/dbraw/zinc/20/61/78/508206178.db2.gz JBFVJHSWWGWLJS-LPHOPBHVSA-N 1 2 370.424 2.841 40 0 biogenic,in-vitro FFABLO COCCN1c2ccccc2O[C@H]2C[C@@H](C1=O)[N@@H+](Cc1ccccc1F)C2 ZINC000096111938 508206180 /nfs/dbraw/zinc/20/61/80/508206180.db2.gz JBFVJHSWWGWLJS-LPHOPBHVSA-N 1 2 370.424 2.841 40 0 biogenic,in-vitro FFABLO [NH2+]=C1S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccc(OCc2ccccc2)cc1 ZINC000138910888 508781160 /nfs/dbraw/zinc/78/11/60/508781160.db2.gz XOQWRNDFWTZQKF-IAGOWNOFSA-N 1 2 374.487 2.919 40 0 FFABLO CN(Cc1ccccn1)C(=O)[C@@H]1CN(Cc2cccs2)Cc2c[nH+]cn21 ZINC000248111341 509236528 /nfs/dbraw/zinc/23/65/28/509236528.db2.gz KGYHNVKUNOFNHN-SFHVURJKSA-N 1 2 367.478 2.555 40 0 FFABLO Cc1nc2ccccn2c1-c1nnc2sc(C[NH+]3CCCCC3)nn21 ZINC000227144005 509406231 /nfs/dbraw/zinc/40/62/31/509406231.db2.gz MWJKCAJDEOWVKJ-UHFFFAOYSA-N 1 2 353.455 2.795 40 0 FFABLO Cc1cnc(NCC[C@@H]2CCOC23C[NH+](Cc2cccc(C)n2)C3)nc1 ZINC000253600382 509901391 /nfs/dbraw/zinc/90/13/91/509901391.db2.gz MJVOZIPYFNUGQS-QGZVFWFLSA-N 1 2 353.470 2.582 40 0 FFABLO Cc1cncc(OCC[C@H]2CCOC3(C[NH+](Cc4cccnc4)C3)C2)n1 ZINC000253600928 509902544 /nfs/dbraw/zinc/90/25/44/509902544.db2.gz DECHZAYZZJHSLO-KRWDZBQOSA-N 1 2 354.454 2.630 40 0 FFABLO Cc1cncc(OCC[C@H]2CCOC3(C[NH+](Cc4ccccn4)C3)C2)n1 ZINC000253601656 509902589 /nfs/dbraw/zinc/90/25/89/509902589.db2.gz VMZWRRVGSSEKLU-KRWDZBQOSA-N 1 2 354.454 2.630 40 0 FFABLO Cc1cc(C)nc(Nc2nccnc2[C@@H]2CCC[N@H+]2Cc2ccnn2C)n1 ZINC000257214339 509957196 /nfs/dbraw/zinc/95/71/96/509957196.db2.gz CLQJWJXNRKSFKP-INIZCTEOSA-N 1 2 364.457 2.698 40 0 FFABLO Cc1cc(C)nc(Nc2nccnc2[C@@H]2CCC[N@@H+]2Cc2ccnn2C)n1 ZINC000257214339 509957200 /nfs/dbraw/zinc/95/72/00/509957200.db2.gz CLQJWJXNRKSFKP-INIZCTEOSA-N 1 2 364.457 2.698 40 0 FFABLO Cc1nc(Nc2cnccn2)cc([C@H]2CCCC[N@H+]2Cc2cncn2C)n1 ZINC000257268944 509967977 /nfs/dbraw/zinc/96/79/77/509967977.db2.gz MNWZVAYQOXDERZ-QGZVFWFLSA-N 1 2 364.457 2.779 40 0 FFABLO Cc1nc(Nc2cnccn2)cc([C@H]2CCCC[N@@H+]2Cc2cncn2C)n1 ZINC000257268944 509967981 /nfs/dbraw/zinc/96/79/81/509967981.db2.gz MNWZVAYQOXDERZ-QGZVFWFLSA-N 1 2 364.457 2.779 40 0 FFABLO Cc1cc(Nc2ncccn2)nc([C@H]2CCCCN2Cc2cn(C)c[nH+]2)n1 ZINC000257277539 509970975 /nfs/dbraw/zinc/97/09/75/509970975.db2.gz NYHXTHGWJGCYIE-MRXNPFEDSA-N 1 2 364.457 2.779 40 0 FFABLO Cc1ccc(NC(=O)C[N@@H+]2CC[C@H](Oc3ccccc3)[C@@](C)(O)C2)cc1F ZINC000257304229 509975537 /nfs/dbraw/zinc/97/55/37/509975537.db2.gz SKQVMYQCGJIDSD-FPOVZHCZSA-N 1 2 372.440 2.977 40 0 FFABLO Cc1ccc(NC(=O)C[N@H+]2CC[C@H](Oc3ccccc3)[C@@](C)(O)C2)cc1F ZINC000257304229 509975544 /nfs/dbraw/zinc/97/55/44/509975544.db2.gz SKQVMYQCGJIDSD-FPOVZHCZSA-N 1 2 372.440 2.977 40 0 FFABLO CSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@H]2c1ccc(C)o1 ZINC000261361822 509984866 /nfs/dbraw/zinc/98/48/66/509984866.db2.gz CFPNSACUKWCRFV-QGZVFWFLSA-O 1 2 369.426 2.673 40 0 FFABLO COc1ncccc1C[NH+]1CC2(C1)C[C@H](OCC1CCOCC1)CS2 ZINC000247848985 510871452 /nfs/dbraw/zinc/87/14/52/510871452.db2.gz NYYVJCGXSGRSQZ-KRWDZBQOSA-N 1 2 364.511 2.593 40 0 FFABLO O=C(NC[C@H]1CCCn2cc[nH+]c21)N1CCCN2c3ccccc3C[C@@H]2C1 ZINC000332872936 511135159 /nfs/dbraw/zinc/13/51/59/511135159.db2.gz XKWFRDMDQDUIGP-QZTJIDSGSA-N 1 2 365.481 2.607 40 0 FFABLO S=C(NCC[NH+]1CCOCC1)c1ccccc1OCc1ccccc1 ZINC000408572737 513088112 /nfs/dbraw/zinc/08/81/12/513088112.db2.gz HZFLTFHEQFTDSR-UHFFFAOYSA-N 1 2 356.491 2.863 40 0 FFABLO CCOC[C@@H]1CCS(=O)(=O)C12C[NH+](Cc1cccc3ccccc31)C2 ZINC000585103863 518538491 /nfs/dbraw/zinc/53/84/91/518538491.db2.gz SKJFZEADMYFUKW-SFHVURJKSA-N 1 2 359.491 2.865 40 0 FFABLO C[NH+](C)C/C=C/C(=O)N1CCCC[C@@H]1c1csc(Nc2ncccn2)n1 ZINC000585291614 518557340 /nfs/dbraw/zinc/55/73/40/518557340.db2.gz DVPNZOVITNXCBO-SBJJXXPASA-N 1 2 372.498 2.848 40 0 FFABLO CCOc1ccccc1CNC(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000020047418 521500301 /nfs/dbraw/zinc/50/03/01/521500301.db2.gz HHFUXGUFKFYYLX-UHFFFAOYSA-N 1 2 354.450 2.848 40 0 FFABLO Cc1csc(Nc2cc([C@H]3CCCC[N@H+]3CC(=O)N(C)C)nc(C)n2)n1 ZINC000072382740 571188595 /nfs/dbraw/zinc/18/85/95/571188595.db2.gz UFAGRPGEQGFVHN-OAHLLOKOSA-N 1 2 374.514 2.909 40 0 FFABLO Cc1csc(Nc2cc([C@H]3CCCC[N@@H+]3CC(=O)N(C)C)nc(C)n2)n1 ZINC000072382740 571188597 /nfs/dbraw/zinc/18/85/97/571188597.db2.gz UFAGRPGEQGFVHN-OAHLLOKOSA-N 1 2 374.514 2.909 40 0 FFABLO COc1ccc(Oc2cncc([C@H]3CCC[N@@H+]3CC(=O)N(C)C)n2)cc1 ZINC000072383957 571188982 /nfs/dbraw/zinc/18/89/82/571188982.db2.gz BPHXVAZUUYLESG-QGZVFWFLSA-N 1 2 356.426 2.503 40 0 FFABLO COc1ccc(Oc2cncc([C@H]3CCC[N@H+]3CC(=O)N(C)C)n2)cc1 ZINC000072383957 571188983 /nfs/dbraw/zinc/18/89/83/571188983.db2.gz BPHXVAZUUYLESG-QGZVFWFLSA-N 1 2 356.426 2.503 40 0 FFABLO C[C@@H](CO)Nc1nc(NCc2cccc(F)c2)cc(-c2ccccc2)[nH+]1 ZINC000329027352 210131718 /nfs/dbraw/zinc/13/17/18/210131718.db2.gz PSDDEBNREVYPQU-AWEZNQCLSA-N 1 2 352.413 2.531 40 0 FFABLO c1coc(C[N@@H+]2CCO[C@@H](c3nnn4cc(-c5cccnc5)ccc34)C2)c1 ZINC000306132969 210054666 /nfs/dbraw/zinc/05/46/66/210054666.db2.gz LXTRWEDIZACVEF-LJQANCHMSA-N 1 2 361.405 2.958 40 0 FFABLO c1coc(C[N@H+]2CCO[C@@H](c3nnn4cc(-c5cccnc5)ccc34)C2)c1 ZINC000306132969 210054670 /nfs/dbraw/zinc/05/46/70/210054670.db2.gz LXTRWEDIZACVEF-LJQANCHMSA-N 1 2 361.405 2.958 40 0 FFABLO Cc1ncsc1C[NH+]1CC2(C1)C[C@H](CCOc1ncccn1)CCO2 ZINC000248056468 222959834 /nfs/dbraw/zinc/95/98/34/222959834.db2.gz UQRKKYOLMKZLMA-OAHLLOKOSA-N 1 2 360.483 2.692 40 0 FFABLO COc1ncc(C[N@@H+]2CCC[C@@H]2c2ccnc(Nc3cnccn3)c2)cn1 ZINC000257307090 223058743 /nfs/dbraw/zinc/05/87/43/223058743.db2.gz SXDYXMDIECXGLU-MRXNPFEDSA-N 1 2 363.425 2.751 40 0 FFABLO COc1ncc(C[N@H+]2CCC[C@@H]2c2ccnc(Nc3cnccn3)c2)cn1 ZINC000257307090 223058747 /nfs/dbraw/zinc/05/87/47/223058747.db2.gz SXDYXMDIECXGLU-MRXNPFEDSA-N 1 2 363.425 2.751 40 0 FFABLO Cc1cc(N(C)C2CC3(C2)CCN(C(=O)Cc2ccsc2)C3)nc[nH+]1 ZINC000257343956 223073323 /nfs/dbraw/zinc/07/33/23/223073323.db2.gz ZVCDDNSFRPYGND-UHFFFAOYSA-N 1 2 356.495 2.907 40 0 FFABLO O=C(NCc1ccccc1-n1cc[nH+]c1)c1ccc(CN2CCCC2=O)cc1 ZINC000030869499 211527841 /nfs/dbraw/zinc/52/78/41/211527841.db2.gz SZNGEXVNFQWRKY-UHFFFAOYSA-N 1 2 374.444 2.925 40 0 FFABLO COCC[NH+](CCOC)Cc1nc(-c2ccc(C(F)(F)F)cc2)no1 ZINC000019593334 211240397 /nfs/dbraw/zinc/24/03/97/211240397.db2.gz POSGZGVJPZJOFY-UHFFFAOYSA-N 1 2 359.348 2.850 40 0 FFABLO Cc1cc([C@@H](O)CN2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)c(C)s1 ZINC000019567853 211236641 /nfs/dbraw/zinc/23/66/41/211236641.db2.gz QWRFOUFXOMPLNW-SFHVURJKSA-N 1 2 374.506 2.945 40 0 FFABLO Cc1cnc(-c2nc3c(c(=O)[nH]2)CC[N@H+](Cc2cccc(F)c2)C3)cn1 ZINC000019239058 211209782 /nfs/dbraw/zinc/20/97/82/211209782.db2.gz UZUAJJFBBIPBFQ-UHFFFAOYSA-N 1 2 351.385 2.645 40 0 FFABLO Cc1cnc(-c2nc3c(c(=O)[nH]2)CC[N@@H+](Cc2cccc(F)c2)C3)cn1 ZINC000019239058 211209786 /nfs/dbraw/zinc/20/97/86/211209786.db2.gz UZUAJJFBBIPBFQ-UHFFFAOYSA-N 1 2 351.385 2.645 40 0 FFABLO O=C(c1n[nH]c2c1CCCCCC2)N1CCCN(c2cccc[nH+]2)CC1 ZINC000019402094 211221187 /nfs/dbraw/zinc/22/11/87/211221187.db2.gz GKEMZNYAQXAGRQ-UHFFFAOYSA-N 1 2 353.470 2.816 40 0 FFABLO O=C(Cn1cc[nH+]c1)N[C@H](Cc1ccccc1)c1ccc2c(c1)OCCO2 ZINC000019370512 211218987 /nfs/dbraw/zinc/21/89/87/211218987.db2.gz BRGIXPPINWNTBZ-GOSISDBHSA-N 1 2 363.417 2.755 40 0 FFABLO O=S1(=O)NC2(CC[NH+](Cc3ccccc3F)CC2)Nc2ccccc21 ZINC000013266971 211027927 /nfs/dbraw/zinc/02/79/27/211027927.db2.gz JYNYILQOEONSHP-UHFFFAOYSA-N 1 2 361.442 2.522 40 0 FFABLO Cn1ccnc1C[NH+]1CCC(c2nccnc2Oc2cccnc2)CC1 ZINC000072384198 221491201 /nfs/dbraw/zinc/49/12/01/221491201.db2.gz HUXBMNUNIFVHBB-UHFFFAOYSA-N 1 2 350.426 2.777 40 0 FFABLO C=CC(=O)N1CCCc2ccccc2[C@H]1c1cc[nH+]c(N2CCOCC2)c1 ZINC000096087166 132218873 /nfs/dbraw/zinc/21/88/73/132218873.db2.gz VSRSAIGONCHOES-JOCHJYFZSA-N 1 2 363.461 2.968 40 0 FFABLO Cc1cccc(NC(=O)Nc2c[nH+]c(N3CCOCC3)nc2N(C)C)c1C ZINC000224148349 132281555 /nfs/dbraw/zinc/28/15/55/132281555.db2.gz NJRBEBJDMDXBLL-UHFFFAOYSA-N 1 2 370.457 2.640 40 0 FFABLO COc1ccc(NC(=O)[C@@]2(C)CCCN(c3cc(N(C)C)[nH+]cn3)C2)cc1 ZINC000257269788 132295973 /nfs/dbraw/zinc/29/59/73/132295973.db2.gz MRJKZPDKZWJGRK-FQEVSTJZSA-N 1 2 369.469 2.796 40 0 FFABLO COc1ccc(NC(=O)[C@@]2(C)CCCN(c3cc(N(C)C)nc[nH+]3)C2)cc1 ZINC000257269788 132295975 /nfs/dbraw/zinc/29/59/75/132295975.db2.gz MRJKZPDKZWJGRK-FQEVSTJZSA-N 1 2 369.469 2.796 40 0 FFABLO Cc1cc(N2CCC(c3c4cccnc4sc3C(N)=O)CC2)nc[nH+]1 ZINC000257313844 132296983 /nfs/dbraw/zinc/29/69/83/132296983.db2.gz UUINCERIXPLWRS-UHFFFAOYSA-N 1 2 353.451 2.878 40 0 FFABLO CNC(=O)[C@@H](c1ccccc1)[N@@H+]1CCC[C@H]1C(=O)N(C)Cc1ccccc1 ZINC000096112970 222030713 /nfs/dbraw/zinc/03/07/13/222030713.db2.gz AESIFKLOXJZGEK-VQTJNVASSA-N 1 2 365.477 2.597 40 0 biogenic,in-vitro FFABLO CNC(=O)[C@@H](c1ccccc1)[N@H+]1CCC[C@H]1C(=O)N(C)Cc1ccccc1 ZINC000096112970 222030719 /nfs/dbraw/zinc/03/07/19/222030719.db2.gz AESIFKLOXJZGEK-VQTJNVASSA-N 1 2 365.477 2.597 40 0 biogenic,in-vitro FFABLO COC(=O)c1c2c(sc1NC(=O)c1ccc(OC)cc1)C[N@@H+](C)CC2 ZINC000004086924 263331302 /nfs/dbraw/zinc/33/13/02/263331302.db2.gz SUPYYEOZHNECDH-UHFFFAOYSA-N 1 2 360.435 2.784 40 0 FFABLO COC(=O)c1c2c(sc1NC(=O)c1ccc(OC)cc1)C[N@H+](C)CC2 ZINC000004086924 263331306 /nfs/dbraw/zinc/33/13/06/263331306.db2.gz SUPYYEOZHNECDH-UHFFFAOYSA-N 1 2 360.435 2.784 40 0 FFABLO Cc1cccc(C(=O)NC2CC[NH+](CC(=O)NCc3cccs3)CC2)c1 ZINC000004909814 506404242 /nfs/dbraw/zinc/40/42/42/506404242.db2.gz GVVTZOJQAPKJRW-UHFFFAOYSA-N 1 2 371.506 2.567 40 0 FFABLO O=C(CCn1ccc2ccncc21)N1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000012144267 506824499 /nfs/dbraw/zinc/82/44/99/506824499.db2.gz JYCATXLCIWVSER-UHFFFAOYSA-N 1 2 366.440 2.910 40 0 FFABLO COc1cccc(C[N@@H+]2CCc3c(nc(N4CCC(C)CC4)[nH]c3=O)C2)c1 ZINC000012184320 506829240 /nfs/dbraw/zinc/82/92/40/506829240.db2.gz XFYDZNPWEBTWTO-UHFFFAOYSA-N 1 2 368.481 2.573 40 0 FFABLO COc1cccc(C[N@H+]2CCc3c(nc(N4CCC(C)CC4)[nH]c3=O)C2)c1 ZINC000012184320 506829255 /nfs/dbraw/zinc/82/92/55/506829255.db2.gz XFYDZNPWEBTWTO-UHFFFAOYSA-N 1 2 368.481 2.573 40 0 FFABLO CC(C)n1c2ccccc2nc1C[N@@H+]1CCO[C@@]2(C1)CC=CCN(C)C2=O ZINC000019704476 507191863 /nfs/dbraw/zinc/19/18/63/507191863.db2.gz JBVDKZLGZKGFBA-OAQYLSRUSA-N 1 2 368.481 2.607 40 0 FFABLO CC(C)n1c2ccccc2nc1C[N@H+]1CCO[C@@]2(C1)CC=CCN(C)C2=O ZINC000019704476 507191877 /nfs/dbraw/zinc/19/18/77/507191877.db2.gz JBVDKZLGZKGFBA-OAQYLSRUSA-N 1 2 368.481 2.607 40 0 FFABLO CCOc1ccccc1CNC(=O)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000030757336 507812743 /nfs/dbraw/zinc/81/27/43/507812743.db2.gz QBWGFFMMWYHCDV-UHFFFAOYSA-N 1 2 354.450 2.848 40 0 FFABLO COc1ccc(O[C@H](C)C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000030759051 507812847 /nfs/dbraw/zinc/81/28/47/507812847.db2.gz VWAQMWWBQOMECE-OAHLLOKOSA-N 1 2 351.406 2.965 40 0 FFABLO COC[C@@H]1CN(C(=O)Cc2cccc(F)c2)Cc2[nH+]cn(CC3CC3)c21 ZINC000096045080 508203552 /nfs/dbraw/zinc/20/35/52/508203552.db2.gz LFZMXDJWDIMLQN-INIZCTEOSA-N 1 2 357.429 2.747 40 0 FFABLO COC[C@@H]1c2c(cnn2CC2CCOCC2)CC[N@H+]1Cc1ccc(C)o1 ZINC000096044535 508203653 /nfs/dbraw/zinc/20/36/53/508203653.db2.gz INXFZURGZMRTGF-LJQANCHMSA-N 1 2 359.470 2.957 40 0 FFABLO COC[C@@H]1c2c(cnn2CC2CCOCC2)CC[N@@H+]1Cc1ccc(C)o1 ZINC000096044535 508203657 /nfs/dbraw/zinc/20/36/57/508203657.db2.gz INXFZURGZMRTGF-LJQANCHMSA-N 1 2 359.470 2.957 40 0 FFABLO O=C(Cc1cccs1)N1Cc2ccnn2C[C@H](CNc2cccc[nH+]2)C1 ZINC000247892388 509187263 /nfs/dbraw/zinc/18/72/63/509187263.db2.gz YWYMXKDBJFNZIP-OAHLLOKOSA-N 1 2 367.478 2.653 40 0 FFABLO Cn1cccc1C(=O)NCC[C@@H]1C[N@H+](Cc2cccs2)Cc2ccnn21 ZINC000248142377 509245826 /nfs/dbraw/zinc/24/58/26/509245826.db2.gz QTSFLEFKIYYLJH-OAHLLOKOSA-N 1 2 369.494 2.660 40 0 FFABLO Cn1cccc1C(=O)NCC[C@@H]1C[N@@H+](Cc2cccs2)Cc2ccnn21 ZINC000248142377 509245834 /nfs/dbraw/zinc/24/58/34/509245834.db2.gz QTSFLEFKIYYLJH-OAHLLOKOSA-N 1 2 369.494 2.660 40 0 FFABLO CC[NH+]1CCN(C(=O)[C@@H]2[C@@H]3CC[C@]4(CC(=O)c5cc(C)ccc5O4)[C@@H]32)CC1 ZINC000248328265 509270733 /nfs/dbraw/zinc/27/07/33/509270733.db2.gz BJTBWWZJRLSGBL-RDAFOJIHSA-N 1 2 368.477 2.519 40 0 FFABLO CO[C@@](C)(CC(C)C)C(=O)Nc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000225606515 509378370 /nfs/dbraw/zinc/37/83/70/509378370.db2.gz QJTZUBCKIYCRIZ-FQEVSTJZSA-N 1 2 364.486 2.787 40 0 FFABLO CCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@@H]2c1ccco1 ZINC000261363684 509987157 /nfs/dbraw/zinc/98/71/57/509987157.db2.gz VUHKRRCZOIOCAH-KRWDZBQOSA-O 1 2 369.426 2.755 40 0 FFABLO Cc1cccc(C[N@@H+]2CCO[C@@H](c3cncc(Nc4ncccn4)n3)C2)c1 ZINC000257301125 534708930 /nfs/dbraw/zinc/70/89/30/534708930.db2.gz RXCLVLXVQGRZKO-GOSISDBHSA-N 1 2 362.437 2.892 40 0 FFABLO Cc1cccc(C[N@H+]2CCO[C@@H](c3cncc(Nc4ncccn4)n3)C2)c1 ZINC000257301125 534708935 /nfs/dbraw/zinc/70/89/35/534708935.db2.gz RXCLVLXVQGRZKO-GOSISDBHSA-N 1 2 362.437 2.892 40 0 FFABLO Cc1ncc(CNC(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(F)c(F)c2)s1 ZINC000270585573 571143539 /nfs/dbraw/zinc/14/35/39/571143539.db2.gz BGXCVOPVNKWAHR-HOTGVXAUSA-N 1 2 366.437 2.974 40 0 FFABLO Cc1ncc(CNC(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccc(F)c(F)c2)s1 ZINC000270585573 571143541 /nfs/dbraw/zinc/14/35/41/571143541.db2.gz BGXCVOPVNKWAHR-HOTGVXAUSA-N 1 2 366.437 2.974 40 0 FFABLO CCc1[nH+]ccn1-c1cccc([C@H]2CCCN2C(=O)c2cnn(C)c2)n1 ZINC000072379232 571187739 /nfs/dbraw/zinc/18/77/39/571187739.db2.gz LAFDVCXNGLLCLI-MRXNPFEDSA-N 1 2 350.426 2.541 40 0 FFABLO Cc1cc(C)nc(Nc2cc(C)nc([C@H]3CC[N@H+](Cc4ncc[nH]4)C3)n2)n1 ZINC000072382599 571188456 /nfs/dbraw/zinc/18/84/56/571188456.db2.gz WFDACWIERGRHSV-HNNXBMFYSA-N 1 2 364.457 2.648 40 0 FFABLO Cc1cc(C)nc(Nc2cc(C)nc([C@H]3CC[N@@H+](Cc4ncc[nH]4)C3)n2)n1 ZINC000072382599 571188457 /nfs/dbraw/zinc/18/84/57/571188457.db2.gz WFDACWIERGRHSV-HNNXBMFYSA-N 1 2 364.457 2.648 40 0 FFABLO CNc1cc(C)[nH+]c([C@H]2CN(C(=O)c3[nH]nc4ccccc43)CCO2)c1 ZINC000230566444 571307862 /nfs/dbraw/zinc/30/78/62/571307862.db2.gz UGGQJFCPEJWJFR-QGZVFWFLSA-N 1 2 351.410 2.522 40 0 FFABLO CCc1[nH+]ccn1-c1ccc(C(=O)N(C)C[C@@H]2Cc3ccccc3O2)cn1 ZINC000257233264 529759440 /nfs/dbraw/zinc/75/94/40/529759440.db2.gz GONKTDHDSNPYPP-KRWDZBQOSA-N 1 2 362.433 2.905 40 0 FFABLO C[C@H](CO)Nc1nc(Nc2ccccc2OC(F)(F)F)cc(C2CC2)[nH+]1 ZINC000329071090 210136009 /nfs/dbraw/zinc/13/60/09/210136009.db2.gz ZMZHYNICRKLQNH-SNVBAGLBSA-N 1 2 368.359 2.633 40 0 FFABLO O=C(/C=C/c1cccs1)N1C[C@H]2OC[C@H](CNc3cccc[nH+]3)[C@H]2C1 ZINC000306128798 210051585 /nfs/dbraw/zinc/05/15/85/210051585.db2.gz HKSLNYJBIHNKTJ-MTQPNNQVSA-N 1 2 355.463 2.742 40 0 FFABLO Cc1csc(CN2Cc3c[nH+]cn3[C@@H](COCc3ccccn3)C2)n1 ZINC000306138280 210055045 /nfs/dbraw/zinc/05/50/45/210055045.db2.gz RUBGUVWLABVTNB-QGZVFWFLSA-N 1 2 355.467 2.817 40 0 FFABLO CC(C)n1cc(CN2Cc3c[nH+]cn3[C@H](COc3ccccn3)C2)cn1 ZINC000306126305 210048534 /nfs/dbraw/zinc/04/85/34/210048534.db2.gz DSBUAYOYAVFHPE-SFHVURJKSA-N 1 2 352.442 2.691 40 0 FFABLO CN(C)C(=O)c1cnn2c1nccc2[C@H]1CCCC[N@@H+]1Cc1cncs1 ZINC000257199692 223015682 /nfs/dbraw/zinc/01/56/82/223015682.db2.gz AANBSLVCYMYRHI-OAHLLOKOSA-N 1 2 370.482 2.615 40 0 FFABLO CN(C)C(=O)c1cnn2c1nccc2[C@H]1CCCC[N@H+]1Cc1cncs1 ZINC000257199692 223015684 /nfs/dbraw/zinc/01/56/84/223015684.db2.gz AANBSLVCYMYRHI-OAHLLOKOSA-N 1 2 370.482 2.615 40 0 FFABLO O=C([O-])c1ccc(C[N@@H+]2CCC[C@H](c3cncc(-n4cc[nH+]c4)n3)C2)cc1 ZINC000257200005 223015819 /nfs/dbraw/zinc/01/58/19/223015819.db2.gz ABPMHOONWDLFLT-KRWDZBQOSA-N 1 2 363.421 2.740 40 0 FFABLO O=C([O-])c1ccc(C[N@H+]2CCC[C@H](c3cncc(-n4cc[nH+]c4)n3)C2)cc1 ZINC000257200005 223015823 /nfs/dbraw/zinc/01/58/23/223015823.db2.gz ABPMHOONWDLFLT-KRWDZBQOSA-N 1 2 363.421 2.740 40 0 FFABLO Cc1nc(Nc2ncccn2)cc([C@@H]2CCCC[N@H+]2Cc2cnn(C)c2)n1 ZINC000257333577 223069375 /nfs/dbraw/zinc/06/93/75/223069375.db2.gz YCDQJHSQCNUCIG-KRWDZBQOSA-N 1 2 364.457 2.779 40 0 FFABLO Cc1nc(Nc2ncccn2)cc([C@@H]2CCCC[N@@H+]2Cc2cnn(C)c2)n1 ZINC000257333577 223069377 /nfs/dbraw/zinc/06/93/77/223069377.db2.gz YCDQJHSQCNUCIG-KRWDZBQOSA-N 1 2 364.457 2.779 40 0 FFABLO Cc1cccc(-c2noc([C@@H]3Cc4[nH]c[nH+]c4CN3C(=O)NC(C)C)n2)c1 ZINC000015675886 220160796 /nfs/dbraw/zinc/16/07/96/220160796.db2.gz MUNUESFLYDOARW-INIZCTEOSA-N 1 2 366.425 2.986 40 0 biogenic,in-vitro FFABLO Cc1cccc(-c2noc([C@@H]3Cc4[nH+]c[nH]c4CN3C(=O)NC(C)C)n2)c1 ZINC000015675886 220160798 /nfs/dbraw/zinc/16/07/98/220160798.db2.gz MUNUESFLYDOARW-INIZCTEOSA-N 1 2 366.425 2.986 40 0 biogenic,in-vitro FFABLO CC(C)c1ccc(C(=O)N[C@@H](c2[nH+]ccn2C)c2ccc(F)cc2)c(=O)[nH]1 ZINC000019453115 211223404 /nfs/dbraw/zinc/22/34/04/211223404.db2.gz VMAGDFVDYAZKNU-QGZVFWFLSA-N 1 2 368.412 2.890 40 0 FFABLO Cc1noc(-c2cnc(NCC[NH+]3CCOCC3)nc2-c2ccco2)c1C ZINC000019558689 211233095 /nfs/dbraw/zinc/23/30/95/211233095.db2.gz LWJCNPABBPWKCP-UHFFFAOYSA-N 1 2 369.425 2.753 40 0 FFABLO CNc1cc([C@@H]2CCCN2C(=O)Cn2ccc(C(F)(F)F)n2)cc[nH+]1 ZINC000257223580 533053026 /nfs/dbraw/zinc/05/30/26/533053026.db2.gz DXZHOBDXRCMMST-LBPRGKRZSA-N 1 2 353.348 2.702 40 0 FFABLO Cn1cc(C[N@@H+]2CCO[C@H](C(=O)N3CCCCC3)C2)c2cc(F)ccc21 ZINC000019747355 220293924 /nfs/dbraw/zinc/29/39/24/220293924.db2.gz LCQRAAGXUDUDTE-IBGZPJMESA-N 1 2 359.445 2.531 40 0 FFABLO Cn1cc(C[N@H+]2CCO[C@H](C(=O)N3CCCCC3)C2)c2cc(F)ccc21 ZINC000019747355 220293927 /nfs/dbraw/zinc/29/39/27/220293927.db2.gz LCQRAAGXUDUDTE-IBGZPJMESA-N 1 2 359.445 2.531 40 0 FFABLO COc1cccc(C[N@@H+]2CCC[C@@H]2c2nccc(CNC(C)=O)n2)c1F ZINC000257259932 533479598 /nfs/dbraw/zinc/47/95/98/533479598.db2.gz LARSGCBOMGMNFU-MRXNPFEDSA-N 1 2 358.417 2.598 40 0 FFABLO COc1cccc(C[N@H+]2CCC[C@@H]2c2nccc(CNC(C)=O)n2)c1F ZINC000257259932 533479607 /nfs/dbraw/zinc/47/96/07/533479607.db2.gz LARSGCBOMGMNFU-MRXNPFEDSA-N 1 2 358.417 2.598 40 0 FFABLO COc1cccc(C[N@@H+]2C[C@@H](F)[C@@H](OCc3nc4cc[nH]cc-4n3)C2)c1 ZINC000096112122 222029739 /nfs/dbraw/zinc/02/97/39/222029739.db2.gz UPJUDMPMNHWUDB-QAPCUYQASA-N 1 2 356.401 2.706 40 0 biogenic,in-vitro FFABLO COc1cccc(C[N@H+]2C[C@@H](F)[C@@H](OCc3nc4cc[nH]cc-4n3)C2)c1 ZINC000096112122 222029740 /nfs/dbraw/zinc/02/97/40/222029740.db2.gz UPJUDMPMNHWUDB-QAPCUYQASA-N 1 2 356.401 2.706 40 0 biogenic,in-vitro FFABLO Cc1nc(CO[C@@H]2C[N@H+](Cc3nccs3)[C@@H]3CCCO[C@H]23)cs1 ZINC000096058121 222006038 /nfs/dbraw/zinc/00/60/38/222006038.db2.gz NGLNWLQSDBIWIJ-FMKPAKJESA-N 1 2 351.497 2.857 40 0 FFABLO Cc1nc(CO[C@@H]2C[N@@H+](Cc3nccs3)[C@@H]3CCCO[C@H]23)cs1 ZINC000096058121 222006040 /nfs/dbraw/zinc/00/60/40/222006040.db2.gz NGLNWLQSDBIWIJ-FMKPAKJESA-N 1 2 351.497 2.857 40 0 FFABLO Cc1ccc(C[N@@H+]2Cc3nnn(C)c3[C@H](COCc3ccccn3)C2)s1 ZINC000096060770 222007163 /nfs/dbraw/zinc/00/71/63/222007163.db2.gz OLUQHTDIGIJMGJ-HNNXBMFYSA-N 1 2 369.494 2.896 40 0 FFABLO Cc1ccc(C[N@H+]2Cc3nnn(C)c3[C@H](COCc3ccccn3)C2)s1 ZINC000096060770 222007165 /nfs/dbraw/zinc/00/71/65/222007165.db2.gz OLUQHTDIGIJMGJ-HNNXBMFYSA-N 1 2 369.494 2.896 40 0 FFABLO Cc1noc(C)c1C[N@H+]1Cc2cncn2C[C@H](COc2ccccn2)C1 ZINC000096206484 222076020 /nfs/dbraw/zinc/07/60/20/222076020.db2.gz ILEBRRUTMVMDEU-MRXNPFEDSA-N 1 2 353.426 2.594 40 0 FFABLO Cc1noc(C)c1C[N@@H+]1Cc2cncn2C[C@H](COc2ccccn2)C1 ZINC000096206484 222076023 /nfs/dbraw/zinc/07/60/23/222076023.db2.gz ILEBRRUTMVMDEU-MRXNPFEDSA-N 1 2 353.426 2.594 40 0 FFABLO Cc1noc(C)c1CN1Cc2c[nH+]cn2C[C@H](COc2ccccn2)C1 ZINC000096206484 222076027 /nfs/dbraw/zinc/07/60/27/222076027.db2.gz ILEBRRUTMVMDEU-MRXNPFEDSA-N 1 2 353.426 2.594 40 0 FFABLO Cc1cc(C[N@@H+]2CC[C@]3(C2)C[C@@H](NC(=O)c2ccccc2)CCO3)no1 ZINC000096207233 222077117 /nfs/dbraw/zinc/07/71/17/222077117.db2.gz PXFGHPPJXIFFLW-FXAWDEMLSA-N 1 2 355.438 2.537 40 0 FFABLO Cc1cc(C[N@H+]2CC[C@]3(C2)C[C@@H](NC(=O)c2ccccc2)CCO3)no1 ZINC000096207233 222077120 /nfs/dbraw/zinc/07/71/20/222077120.db2.gz PXFGHPPJXIFFLW-FXAWDEMLSA-N 1 2 355.438 2.537 40 0 FFABLO Cc1ccc(C[N@@H+]2CCO[C@@]3(CCCN(c4nncs4)C3)C2)s1 ZINC000096226613 222088016 /nfs/dbraw/zinc/08/80/16/222088016.db2.gz LZOHMNNZTFFONU-INIZCTEOSA-N 1 2 350.513 2.779 40 0 FFABLO Cc1ccc(C[N@H+]2CCO[C@@]3(CCCN(c4nncs4)C3)C2)s1 ZINC000096226613 222088022 /nfs/dbraw/zinc/08/80/22/222088022.db2.gz LZOHMNNZTFFONU-INIZCTEOSA-N 1 2 350.513 2.779 40 0 FFABLO CO[C@H]1CC[C@H](C(=O)N2CCc3nc([C@@H]4CCCC[N@@H+]4C)ncc3C2)CC1 ZINC000100746420 222252020 /nfs/dbraw/zinc/25/20/20/222252020.db2.gz IJGYTBPYIOMAEV-WDYCEAGBSA-N 1 2 372.513 2.723 40 0 FFABLO CO[C@H]1CC[C@H](C(=O)N2CCc3nc([C@@H]4CCCC[N@H+]4C)ncc3C2)CC1 ZINC000100746420 222252024 /nfs/dbraw/zinc/25/20/24/222252024.db2.gz IJGYTBPYIOMAEV-WDYCEAGBSA-N 1 2 372.513 2.723 40 0 FFABLO COc1ccc2[nH]c(=O)c(C[NH2+]c3ccc(N4CCOCC4)cc3)cc2c1 ZINC000012088268 506813580 /nfs/dbraw/zinc/81/35/80/506813580.db2.gz LLWDQITWQBADSF-UHFFFAOYSA-N 1 2 365.433 2.985 40 0 FFABLO COc1ccc(NC(=O)C2CCN(c3[nH+]c4ccccc4n3C)CC2)cn1 ZINC000012116348 506817695 /nfs/dbraw/zinc/81/76/95/506817695.db2.gz PKPUCLMINZMVDS-UHFFFAOYSA-N 1 2 365.437 2.832 40 0 FFABLO COc1cccc([C@@H]([NH3+])c2nnc(-c3cc(OC)c(OC)c(OC)c3)[nH]2)c1 ZINC000095533519 508197151 /nfs/dbraw/zinc/19/71/51/508197151.db2.gz CBYAQCLZZPSFFT-MRXNPFEDSA-N 1 2 370.409 2.554 40 0 FFABLO CCOc1ccc([C@@H]([NH3+])c2nc(COc3ccccc3)n[nH]2)cc1OC ZINC000095534217 508197916 /nfs/dbraw/zinc/19/79/16/508197916.db2.gz KXRIDNIOLBRPRX-GOSISDBHSA-N 1 2 354.410 2.839 40 0 FFABLO CCn1nnc2c1CC[N@H+](CCOc1ccc(Cl)cc1)[C@H]2COC ZINC000096045330 508203852 /nfs/dbraw/zinc/20/38/52/508203852.db2.gz GJINYFIBVXYUCJ-INIZCTEOSA-N 1 2 350.850 2.576 40 0 FFABLO CCn1nnc2c1CC[N@@H+](CCOc1ccc(Cl)cc1)[C@H]2COC ZINC000096045330 508203854 /nfs/dbraw/zinc/20/38/54/508203854.db2.gz GJINYFIBVXYUCJ-INIZCTEOSA-N 1 2 350.850 2.576 40 0 FFABLO Cc1ccc(C(=O)N2CC3(C2)OCC[C@H]3CCNc2cccc[nH+]2)cn1 ZINC000248114627 509235926 /nfs/dbraw/zinc/23/59/26/509235926.db2.gz RUIKYVUEJANTKV-QGZVFWFLSA-N 1 2 352.438 2.518 40 0 FFABLO COc1ccccc1C[NH+]1CC2(C1)CC[C@@H](CNC(=O)c1ccco1)CO2 ZINC000248120155 509237638 /nfs/dbraw/zinc/23/76/38/509237638.db2.gz DHUYECMTSXURSX-INIZCTEOSA-N 1 2 370.449 2.699 40 0 FFABLO S=C(NCC[NH+]1CCOCC1)Nc1ccc(Sc2ccccc2)nc1 ZINC000223894130 509349437 /nfs/dbraw/zinc/34/94/37/509349437.db2.gz NEFGCVZCVOMMLR-UHFFFAOYSA-N 1 2 374.535 2.851 40 0 FFABLO Cc1noc(C)c1C[N@@H+]1CCO[C@@H]2C[C@H](COCc3ccncc3)C[C@@H]21 ZINC000252015094 509830741 /nfs/dbraw/zinc/83/07/41/509830741.db2.gz VFOVGCHYONKJFW-YZGWKJHDSA-N 1 2 357.454 2.883 40 0 FFABLO Cc1noc(C)c1C[N@H+]1CCO[C@@H]2C[C@H](COCc3ccncc3)C[C@@H]21 ZINC000252015094 509830750 /nfs/dbraw/zinc/83/07/50/509830750.db2.gz VFOVGCHYONKJFW-YZGWKJHDSA-N 1 2 357.454 2.883 40 0 FFABLO COc1ccccc1[C@@H](NC(=O)[C@H]1CC[C@H](OC)CC1)c1[nH+]ccn1C ZINC000257207693 509958427 /nfs/dbraw/zinc/95/84/27/509958427.db2.gz BIUIHUMOJGOABQ-IIDMSEBBSA-N 1 2 357.454 2.840 40 0 FFABLO COc1ncccc1C[NH+]1CC2(C1)C[C@@H](OCC1CCOCC1)CS2 ZINC000247848988 510871488 /nfs/dbraw/zinc/87/14/88/510871488.db2.gz NYYVJCGXSGRSQZ-QGZVFWFLSA-N 1 2 364.511 2.593 40 0 FFABLO Cc1noc(C)c1C(=O)N1CCC2(CC(N(C)c3cc(C)[nH+]cn3)C2)C1 ZINC000257260137 534318966 /nfs/dbraw/zinc/31/89/66/534318966.db2.gz LBKYAVQQDFEMOT-UHFFFAOYSA-N 1 2 355.442 2.521 40 0 FFABLO c1cncc(C[N@@H+]2CCO[C@@H](c3nnn4cc(-c5cccnc5)ccc34)C2)c1 ZINC000306137166 534507682 /nfs/dbraw/zinc/50/76/82/534507682.db2.gz QNGLTPPARBRFJH-HXUWFJFHSA-N 1 2 372.432 2.760 40 0 FFABLO c1cncc(C[N@H+]2CCO[C@@H](c3nnn4cc(-c5cccnc5)ccc34)C2)c1 ZINC000306137166 534507696 /nfs/dbraw/zinc/50/76/96/534507696.db2.gz QNGLTPPARBRFJH-HXUWFJFHSA-N 1 2 372.432 2.760 40 0 FFABLO Cc1ncc(CNC(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(F)c(F)c2)s1 ZINC000270585569 571143399 /nfs/dbraw/zinc/14/33/99/571143399.db2.gz BGXCVOPVNKWAHR-CVEARBPZSA-N 1 2 366.437 2.974 40 0 FFABLO Cc1ncc(CNC(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(F)c(F)c2)s1 ZINC000270585569 571143404 /nfs/dbraw/zinc/14/34/04/571143404.db2.gz BGXCVOPVNKWAHR-CVEARBPZSA-N 1 2 366.437 2.974 40 0 FFABLO COc1ccccc1Oc1cncc([C@H]2CCC[N@@H+]2CC(=O)N(C)C)n1 ZINC000072383959 571188922 /nfs/dbraw/zinc/18/89/22/571188922.db2.gz ZQSZUTTUHPFBEG-OAHLLOKOSA-N 1 2 356.426 2.503 40 0 FFABLO COc1ccccc1Oc1cncc([C@H]2CCC[N@H+]2CC(=O)N(C)C)n1 ZINC000072383959 571188925 /nfs/dbraw/zinc/18/89/25/571188925.db2.gz ZQSZUTTUHPFBEG-OAHLLOKOSA-N 1 2 356.426 2.503 40 0 FFABLO Cn1ccnc1C[NH+]1CCC(c2cncc(Oc3cccnc3)n2)CC1 ZINC000072384201 571189031 /nfs/dbraw/zinc/18/90/31/571189031.db2.gz IEHSKTILVBDILW-UHFFFAOYSA-N 1 2 350.426 2.777 40 0 FFABLO COc1cccc(Nc2cc(-c3ccccc3)[nH+]c(N[C@H](C)CO)n2)c1 ZINC000329038190 210134013 /nfs/dbraw/zinc/13/40/13/210134013.db2.gz RSJRFIVTPIBDCB-CQSZACIVSA-N 1 2 350.422 2.532 40 0 FFABLO c1ccc(CCNc2cc(-c3cccnc3)[nH+]c(NC3CCCC3)n2)nc1 ZINC000329059056 210132546 /nfs/dbraw/zinc/13/25/46/210132546.db2.gz WFHGDQJNYCMQGM-UHFFFAOYSA-N 1 2 360.465 2.787 40 0 FFABLO OCCCNc1nc(NCc2cc(F)cc(F)c2)cc(-c2ccccc2)[nH+]1 ZINC000329032672 210132332 /nfs/dbraw/zinc/13/23/32/210132332.db2.gz QOVFKYHPRVFHOP-UHFFFAOYSA-N 1 2 370.403 2.672 40 0 FFABLO Fc1cc(F)cc(CNc2cc(-c3cccnc3)[nH+]c(NC3CC3)n2)c1 ZINC000329022093 210130947 /nfs/dbraw/zinc/13/09/47/210130947.db2.gz OJYLTLPKPCPAQR-UHFFFAOYSA-N 1 2 353.376 2.847 40 0 FFABLO Fc1ccc(CNc2cc(-c3ccncc3)[nH+]c(NC3CC3)n2)cc1F ZINC000328997302 210128852 /nfs/dbraw/zinc/12/88/52/210128852.db2.gz JOGJGVMJZMKLSC-UHFFFAOYSA-N 1 2 353.376 2.847 40 0 FFABLO c1ccc(C[N@@H+]2CCO[C@H](c3nnn4cc(-c5cccnc5)ccc34)C2)nc1 ZINC000306130561 210051204 /nfs/dbraw/zinc/05/12/04/210051204.db2.gz JJSZUROFDKWONO-FQEVSTJZSA-N 1 2 372.432 2.760 40 0 FFABLO c1ccc(C[N@H+]2CCO[C@H](c3nnn4cc(-c5cccnc5)ccc34)C2)nc1 ZINC000306130561 210051207 /nfs/dbraw/zinc/05/12/07/210051207.db2.gz JJSZUROFDKWONO-FQEVSTJZSA-N 1 2 372.432 2.760 40 0 FFABLO Cc1nc(Nc2ncccn2)cc([C@H]2CCCCN2Cc2[nH+]ccn2C)n1 ZINC000257254150 223038417 /nfs/dbraw/zinc/03/84/17/223038417.db2.gz KBWHVVOGKQAPIJ-MRXNPFEDSA-N 1 2 364.457 2.779 40 0 FFABLO Cc1cccc(C[C@@H]2CCCN(C(=O)C[N@@H+](C)Cc3cccnc3)C2)n1 ZINC000257304860 223059548 /nfs/dbraw/zinc/05/95/48/223059548.db2.gz SNLFRMPXKQRDDS-SFHVURJKSA-N 1 2 352.482 2.698 40 0 FFABLO Cc1cccc(C[C@@H]2CCCN(C(=O)C[N@H+](C)Cc3cccnc3)C2)n1 ZINC000257304860 223059549 /nfs/dbraw/zinc/05/95/49/223059549.db2.gz SNLFRMPXKQRDDS-SFHVURJKSA-N 1 2 352.482 2.698 40 0 FFABLO Cc1ccc(-c2noc([C@@H]3C[C@@H](O)C[N@@H+]3Cc3ccc(CO)o3)n2)cc1F ZINC000015674312 220159448 /nfs/dbraw/zinc/15/94/48/220159448.db2.gz NEOCSDSJESTGQG-DYVFJYSZSA-N 1 2 373.384 2.577 40 0 biogenic,in-vitro FFABLO Cc1ccc(-c2noc([C@@H]3C[C@@H](O)C[N@H+]3Cc3ccc(CO)o3)n2)cc1F ZINC000015674312 220159452 /nfs/dbraw/zinc/15/94/52/220159452.db2.gz NEOCSDSJESTGQG-DYVFJYSZSA-N 1 2 373.384 2.577 40 0 biogenic,in-vitro FFABLO CC(C)c1cc(C(=O)N2C[C@@H](C[NH+]3CCOCC3)c3ccccc32)n(C)n1 ZINC000019452236 211224444 /nfs/dbraw/zinc/22/44/44/211224444.db2.gz GYBKRVYTPHXUBH-MRXNPFEDSA-N 1 2 368.481 2.620 40 0 FFABLO Cc1[nH+]c2ccccc2n1C[C@@H](C)C(=O)NCCSc1nccn1C ZINC000019286739 211212282 /nfs/dbraw/zinc/21/22/82/211212282.db2.gz IEJOJOKTPAOBMN-CYBMUJFWSA-N 1 2 357.483 2.623 40 0 FFABLO Cc1[nH+]c(C2CCN(C(=O)CCCN3CCCC3=O)CC2)c2sccn12 ZINC000019240806 211211240 /nfs/dbraw/zinc/21/12/40/211211240.db2.gz LHTBNYAFBDQSRS-UHFFFAOYSA-N 1 2 374.510 2.813 40 0 FFABLO COc1ccc(C[N@@H+]2CCc3c(nc(-c4cnc(C)cn4)[nH]c3=O)C2)cc1 ZINC000019239055 211209608 /nfs/dbraw/zinc/20/96/08/211209608.db2.gz KBLUGNQJDZZRAD-UHFFFAOYSA-N 1 2 363.421 2.515 40 0 FFABLO COc1ccc(C[N@H+]2CCc3c(nc(-c4cnc(C)cn4)[nH]c3=O)C2)cc1 ZINC000019239055 211209613 /nfs/dbraw/zinc/20/96/13/211209613.db2.gz KBLUGNQJDZZRAD-UHFFFAOYSA-N 1 2 363.421 2.515 40 0 FFABLO COc1ccccc1[C@H]1Cn2cc[nH+]c2CN1C(=O)c1c(C)noc1C ZINC000257256487 533028329 /nfs/dbraw/zinc/02/83/29/533028329.db2.gz KLRPNNWBWVJSCK-OAHLLOKOSA-N 1 2 352.394 2.894 40 0 FFABLO COc1cccc(C[N@@H+]2CCc3c(nc(N4CCC[C@H](C)C4)[nH]c3=O)C2)c1 ZINC000072347330 136144831 /nfs/dbraw/zinc/14/48/31/136144831.db2.gz OLBGMLWELKULIE-HNNXBMFYSA-N 1 2 368.481 2.985 40 0 FFABLO COc1cccc(C[N@H+]2CCc3c(nc(N4CCC[C@H](C)C4)[nH]c3=O)C2)c1 ZINC000072347330 136144832 /nfs/dbraw/zinc/14/48/32/136144832.db2.gz OLBGMLWELKULIE-HNNXBMFYSA-N 1 2 368.481 2.985 40 0 FFABLO C[C@@H]1CCCN(c2nc3c(c(=O)[nH]2)C[N@H+](Cc2cc(F)ccc2F)CC3)C1 ZINC000072347479 136144926 /nfs/dbraw/zinc/14/49/26/136144926.db2.gz CLMRRJGOXONQSM-CYBMUJFWSA-N 1 2 374.435 2.843 40 0 FFABLO C[C@@H]1CCCN(c2nc3c(c(=O)[nH]2)C[N@@H+](Cc2cc(F)ccc2F)CC3)C1 ZINC000072347479 136144927 /nfs/dbraw/zinc/14/49/27/136144927.db2.gz CLMRRJGOXONQSM-CYBMUJFWSA-N 1 2 374.435 2.843 40 0 FFABLO Cn1ccnc1C[NH+]1CCC2(CCC(=O)N2Cc2cccc(F)c2)CC1 ZINC000096228272 222089938 /nfs/dbraw/zinc/08/99/38/222089938.db2.gz DXDHWDOABYJQIO-UHFFFAOYSA-N 1 2 356.445 2.716 40 0 FFABLO CCCCn1c2nc(C[N@@H+]3CCC[C@@H](C)C3)n(CCC)c2c(=O)[nH]c1=O ZINC000008136132 506625120 /nfs/dbraw/zinc/62/51/20/506625120.db2.gz SGNWFRWMKFRGNR-CQSZACIVSA-N 1 2 361.490 2.741 40 0 FFABLO CCCCn1c2nc(C[N@H+]3CCC[C@@H](C)C3)n(CCC)c2c(=O)[nH]c1=O ZINC000008136132 506625126 /nfs/dbraw/zinc/62/51/26/506625126.db2.gz SGNWFRWMKFRGNR-CQSZACIVSA-N 1 2 361.490 2.741 40 0 FFABLO O=c1[nH]c(-c2ccccn2)nc2c1CC[N@H+](Cc1ccc3ncccc3c1)C2 ZINC000012088779 506813852 /nfs/dbraw/zinc/81/38/52/506813852.db2.gz DFQXGEFOCRLTHU-UHFFFAOYSA-N 1 2 369.428 2.938 40 0 FFABLO O=c1[nH]c(-c2ccccn2)nc2c1CC[N@@H+](Cc1ccc3ncccc3c1)C2 ZINC000012088779 506813858 /nfs/dbraw/zinc/81/38/58/506813858.db2.gz DFQXGEFOCRLTHU-UHFFFAOYSA-N 1 2 369.428 2.938 40 0 FFABLO C[C@@H]1CCCN(c2nc3c(c(=O)[nH]2)CC[N@H+](Cc2ccc(F)cc2)C3)C1 ZINC000012182644 506828189 /nfs/dbraw/zinc/82/81/89/506828189.db2.gz QIBADLHHSBNBLH-CQSZACIVSA-N 1 2 356.445 2.704 40 0 FFABLO C[C@@H]1CCCN(c2nc3c(c(=O)[nH]2)CC[N@@H+](Cc2ccc(F)cc2)C3)C1 ZINC000012182644 506828192 /nfs/dbraw/zinc/82/81/92/506828192.db2.gz QIBADLHHSBNBLH-CQSZACIVSA-N 1 2 356.445 2.704 40 0 FFABLO CC(C)n1c2ccccc2nc1C[N@@H+]1CCO[C@]2(C1)CC=CCN(C)C2=O ZINC000019704475 507191752 /nfs/dbraw/zinc/19/17/52/507191752.db2.gz JBVDKZLGZKGFBA-NRFANRHFSA-N 1 2 368.481 2.607 40 0 FFABLO CC(C)n1c2ccccc2nc1C[N@H+]1CCO[C@]2(C1)CC=CCN(C)C2=O ZINC000019704475 507191762 /nfs/dbraw/zinc/19/17/62/507191762.db2.gz JBVDKZLGZKGFBA-NRFANRHFSA-N 1 2 368.481 2.607 40 0 FFABLO CCc1[nH+]ccn1-c1cncc([C@H]2CCCN2C(=O)Cc2cccnc2)n1 ZINC000072378577 507781368 /nfs/dbraw/zinc/78/13/68/507781368.db2.gz BDZRKFIPAIHEPC-QGZVFWFLSA-N 1 2 362.437 2.526 40 0 FFABLO COc1cc(-c2nnc([C@@H]([NH3+])c3ccc(F)cc3)[nH]2)cc(OC)c1OC ZINC000095533253 508196920 /nfs/dbraw/zinc/19/69/20/508196920.db2.gz SYYFLZUGNPYQSM-HNNXBMFYSA-N 1 2 358.373 2.685 40 0 FFABLO CCOc1ccc([C@H]([NH3+])c2nc(COc3ccc(F)cc3)n[nH]2)cc1OC ZINC000095534260 508197807 /nfs/dbraw/zinc/19/78/07/508197807.db2.gz ULUYBDGCHISHRI-SFHVURJKSA-N 1 2 372.400 2.978 40 0 FFABLO COc1ccc(C[N@H+]2Cc3ccnn3[C@H](CCNC(=O)CC3CC3)C2)cc1 ZINC000247879952 509185754 /nfs/dbraw/zinc/18/57/54/509185754.db2.gz ISCHNWWBAMVMMI-GOSISDBHSA-N 1 2 368.481 2.755 40 0 FFABLO COc1ccc(C[N@@H+]2Cc3ccnn3[C@H](CCNC(=O)CC3CC3)C2)cc1 ZINC000247879952 509185757 /nfs/dbraw/zinc/18/57/57/509185757.db2.gz ISCHNWWBAMVMMI-GOSISDBHSA-N 1 2 368.481 2.755 40 0 FFABLO COc1ccc(CC(=O)NCc2ccccc2C[NH+]2CCOCC2)cc1C ZINC000224679390 509359532 /nfs/dbraw/zinc/35/95/32/509359532.db2.gz PXXKGCCJCQHSGH-UHFFFAOYSA-N 1 2 368.477 2.695 40 0 FFABLO Cc1cc(C(=O)N2Cc3ccnn3C[C@@H](CNc3cccc[nH+]3)C2)c(C)o1 ZINC000247840534 510871384 /nfs/dbraw/zinc/87/13/84/510871384.db2.gz PRGWZNUXKGXOBJ-INIZCTEOSA-N 1 2 365.437 2.872 40 0 FFABLO O=S1(=O)C[C@H](O)[C@H]([N@H+](Cc2ccccc2)Cc2cccc(Cl)c2)C1 ZINC000575420966 518216464 /nfs/dbraw/zinc/21/64/64/518216464.db2.gz LMTYELNCIMTXDD-MSOLQXFVSA-N 1 2 365.882 2.500 40 0 FFABLO O=S1(=O)C[C@H](O)[C@H]([N@@H+](Cc2ccccc2)Cc2cccc(Cl)c2)C1 ZINC000575420966 518216470 /nfs/dbraw/zinc/21/64/70/518216470.db2.gz LMTYELNCIMTXDD-MSOLQXFVSA-N 1 2 365.882 2.500 40 0 FFABLO Cc1cccc(C[N@H+]2Cc3ccnn3[C@@H](CNC(=O)N3CCCC3)C2)c1 ZINC000585112479 518543345 /nfs/dbraw/zinc/54/33/45/518543345.db2.gz QALYXAKFBLRFLK-IBGZPJMESA-N 1 2 353.470 2.554 40 0 FFABLO Cc1cccc(C[N@@H+]2Cc3ccnn3[C@@H](CNC(=O)N3CCCC3)C2)c1 ZINC000585112479 518543346 /nfs/dbraw/zinc/54/33/46/518543346.db2.gz QALYXAKFBLRFLK-IBGZPJMESA-N 1 2 353.470 2.554 40 0 FFABLO CCn1c2ccccc2[nH+]c1N1CCC[C@H](C(=O)NC[C@H]2CCCO2)C1 ZINC000245227218 523285537 /nfs/dbraw/zinc/28/55/37/523285537.db2.gz GLTPYTMUERUMBP-JKSUJKDBSA-N 1 2 356.470 2.568 40 0 FFABLO CCc1[nH+]ccn1-c1cccc([C@H]2CCCN(C(=O)c3cnccn3)C2)n1 ZINC000072379182 571187816 /nfs/dbraw/zinc/18/78/16/571187816.db2.gz SAVUHNWCXZIMBI-HNNXBMFYSA-N 1 2 362.437 2.640 40 0 FFABLO Cc1nc(C(=O)N2CC[C@]3(Cc4[nH+]cc(-c5cccnc5)n4C3)C2)cs1 ZINC000306127185 210051618 /nfs/dbraw/zinc/05/16/18/210051618.db2.gz FRCSCMSGDCCGIH-IBGZPJMESA-N 1 2 365.462 2.799 40 0 FFABLO CCn1cc(C[NH+]2CCC(c3cc(=O)n4[nH]c(C)cc4n3)CC2)c(C)n1 ZINC000257295417 223055552 /nfs/dbraw/zinc/05/55/52/223055552.db2.gz QYFGMPGSBRISCF-UHFFFAOYSA-N 1 2 354.458 2.648 40 0 FFABLO O=S(=O)(c1cccc(F)c1)N1Cc2[nH+]ccn2C[C@@H]1c1ccccc1 ZINC000257336662 223070265 /nfs/dbraw/zinc/07/02/65/223070265.db2.gz YPKOGLVXTBOKNP-QGZVFWFLSA-N 1 2 357.410 2.968 40 0 FFABLO COc1ccc(C(=O)C2CC[NH+](CC(=O)NCc3ccccc3)CC2)cc1 ZINC000014325192 220122579 /nfs/dbraw/zinc/12/25/79/220122579.db2.gz CRXUWHOYGDVOOJ-UHFFFAOYSA-N 1 2 366.461 2.906 40 0 FFABLO COC(=O)c1ccc(NC(=O)c2cccc(C[NH+]3CCOCC3)c2)cc1 ZINC000020450262 211279617 /nfs/dbraw/zinc/27/96/17/211279617.db2.gz HEBCQQBEVPJIEN-UHFFFAOYSA-N 1 2 354.406 2.558 40 0 FFABLO C[N@@H+]1CCCC[C@H]1c1ncc2c(n1)CCN(C(=O)c1cccc(F)c1)C2 ZINC000019588958 211239063 /nfs/dbraw/zinc/23/90/63/211239063.db2.gz DJACJBGUVGXNQK-SFHVURJKSA-N 1 2 354.429 2.971 40 0 FFABLO C[N@H+]1CCCC[C@H]1c1ncc2c(n1)CCN(C(=O)c1cccc(F)c1)C2 ZINC000019588958 211239068 /nfs/dbraw/zinc/23/90/68/211239068.db2.gz DJACJBGUVGXNQK-SFHVURJKSA-N 1 2 354.429 2.971 40 0 FFABLO COc1cc(C(=O)Nc2ccc3c(c2)[nH+]c(C(C)C)n3C)nc(OC)n1 ZINC000019453811 211222631 /nfs/dbraw/zinc/22/26/31/211222631.db2.gz SEQCHXGSHFVPHW-UHFFFAOYSA-N 1 2 355.398 2.756 40 0 FFABLO CCn1cc(C[NH+]2CCN(C(=O)c3c(C)oc4c3CCCC4)CC2)c(C)n1 ZINC000019524572 211228843 /nfs/dbraw/zinc/22/88/43/211228843.db2.gz VDTOLWBYNIFFBA-UHFFFAOYSA-N 1 2 370.497 2.950 40 0 FFABLO Cc1[nH]c2cc(NC(=O)C(F)(F)F)c(NC(=O)C(F)(F)F)cc2[nH+]1 ZINC000013233485 211027895 /nfs/dbraw/zinc/02/78/95/211027895.db2.gz ACFHWPHQDRJZLE-UHFFFAOYSA-N 1 2 354.210 2.873 40 0 FFABLO CN(C)c1ccc(-c2noc([C@@H]3CCC[N@@H+]3Cc3cccnc3)n2)cn1 ZINC000049155457 221021076 /nfs/dbraw/zinc/02/10/76/221021076.db2.gz NBJMSKNYLSEQSZ-INIZCTEOSA-N 1 2 350.426 2.930 40 0 biogenic,in-vitro FFABLO CN(C)c1ccc(-c2noc([C@@H]3CCC[N@H+]3Cc3cccnc3)n2)cn1 ZINC000049155457 221021080 /nfs/dbraw/zinc/02/10/80/221021080.db2.gz NBJMSKNYLSEQSZ-INIZCTEOSA-N 1 2 350.426 2.930 40 0 biogenic,in-vitro FFABLO O=C(c1cccc(F)c1)N1CCC2(CC1)CN(c1cccc[nH+]1)CCO2 ZINC000096158999 132221145 /nfs/dbraw/zinc/22/11/45/132221145.db2.gz JMYYFMFXHXOJSI-UHFFFAOYSA-N 1 2 355.413 2.732 40 0 FFABLO Cc1nc(N2CCC[C@](C)(C(=O)NC3Cc4ccccc4C3)C2)cc[nH+]1 ZINC000257261342 132295861 /nfs/dbraw/zinc/29/58/61/132295861.db2.gz LGXDTZUOMABGIT-NRFANRHFSA-N 1 2 350.466 2.675 40 0 FFABLO c1csc(CN2Cc3[nH+]ccn3C[C@H](COCc3cccnc3)C2)n1 ZINC000096059146 222006861 /nfs/dbraw/zinc/00/68/61/222006861.db2.gz FPODUNACVIQHCY-MRXNPFEDSA-N 1 2 355.467 2.583 40 0 FFABLO CC(=O)N1CCCC2(CCN(C(=O)c3ccc(-n4cc[nH+]c4)cc3)CC2)C1 ZINC000096156899 222056226 /nfs/dbraw/zinc/05/62/26/222056226.db2.gz FWGGSAWVFHEXON-UHFFFAOYSA-N 1 2 366.465 2.737 40 0 FFABLO CC(=O)c1sc(=Nc2cccc(C)c2C)n(N2CC[NH+](C)CC2)c1C ZINC000004619773 506385035 /nfs/dbraw/zinc/38/50/35/506385035.db2.gz VKKJIMVXUQLJNL-VXPUYCOJSA-N 1 2 358.511 2.793 40 0 FFABLO COc1ccc(OC)c(NC(=S)N2CC[NH+](Cc3ccco3)CC2)c1 ZINC000006952027 506520612 /nfs/dbraw/zinc/52/06/12/506520612.db2.gz BKENICCSZNDBPB-UHFFFAOYSA-N 1 2 361.467 2.811 40 0 FFABLO COc1ccc([C@H](NC(=O)c2cccnc2Cl)c2[nH+]ccn2C)cc1 ZINC000012114934 506816837 /nfs/dbraw/zinc/81/68/37/506816837.db2.gz JMNJLSFLZYGGTK-HNNXBMFYSA-N 1 2 356.813 2.997 40 0 FFABLO CC(C)c1ncc(C[N@@H+]2CCc3nc(-c4ccccn4)[nH]c(=O)c3C2)cn1 ZINC000012122685 506819893 /nfs/dbraw/zinc/81/98/93/506819893.db2.gz OUGYFMXLRBIAEC-UHFFFAOYSA-N 1 2 362.437 2.716 40 0 FFABLO CC(C)c1ncc(C[N@H+]2CCc3nc(-c4ccccn4)[nH]c(=O)c3C2)cn1 ZINC000012122685 506819906 /nfs/dbraw/zinc/81/99/06/506819906.db2.gz OUGYFMXLRBIAEC-UHFFFAOYSA-N 1 2 362.437 2.716 40 0 FFABLO COc1ccc(F)c(C[N@@H+]2CCc3nc(-c4cccnc4)[nH]c(=O)c3C2)c1 ZINC000012122152 506820174 /nfs/dbraw/zinc/82/01/74/506820174.db2.gz WBFYXYCJSMPUTR-UHFFFAOYSA-N 1 2 366.396 2.950 40 0 FFABLO COc1ccc(F)c(C[N@H+]2CCc3nc(-c4cccnc4)[nH]c(=O)c3C2)c1 ZINC000012122152 506820182 /nfs/dbraw/zinc/82/01/82/506820182.db2.gz WBFYXYCJSMPUTR-UHFFFAOYSA-N 1 2 366.396 2.950 40 0 FFABLO COc1ccccc1CN(C)C(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000044902309 506900550 /nfs/dbraw/zinc/90/05/50/506900550.db2.gz HIYANNIWMOKZMS-UHFFFAOYSA-N 1 2 354.450 2.800 40 0 FFABLO CC(=O)N1CCCC[C@@H]1c1nc2c(c(N3CCCCC3)n1)C[N@H+](C)CC2 ZINC000019752367 507199901 /nfs/dbraw/zinc/19/99/01/507199901.db2.gz RZWKXOQOCQKSPY-GOSISDBHSA-N 1 2 357.502 2.528 40 0 FFABLO CC(=O)N1CCCC[C@@H]1c1nc2c(c(N3CCCCC3)n1)C[N@@H+](C)CC2 ZINC000019752367 507199903 /nfs/dbraw/zinc/19/99/03/507199903.db2.gz RZWKXOQOCQKSPY-GOSISDBHSA-N 1 2 357.502 2.528 40 0 FFABLO Nc1cc(-c2c[nH]nc2[C@H]2CCCN2S(=O)(=O)c2ccccc2)cc[nH+]1 ZINC000072360797 507780062 /nfs/dbraw/zinc/78/00/62/507780062.db2.gz HOPULGFPQIYJBL-MRXNPFEDSA-N 1 2 369.450 2.580 40 0 FFABLO COc1ccc([C@H]([NH3+])c2nc(COc3ccc(F)cc3)n[nH]2)cc1OC ZINC000095533834 508198102 /nfs/dbraw/zinc/19/81/02/508198102.db2.gz RXXPSZHAOFPERK-KRWDZBQOSA-N 1 2 358.373 2.588 40 0 FFABLO c1ccc2nc(C[NH+]3CC4(C3)C[C@H](Oc3cnccn3)CCO4)ccc2c1 ZINC000248334911 509272361 /nfs/dbraw/zinc/27/23/61/509272361.db2.gz MGVVLYAPDKLIHP-GOSISDBHSA-N 1 2 362.433 2.837 40 0 FFABLO COC(=O)c1ccc(OC)c(NC(=O)c2ccc(Cn3cc[nH+]c3)cc2)c1 ZINC000225086360 509364579 /nfs/dbraw/zinc/36/45/79/509364579.db2.gz XNPARJIVYJIYAU-UHFFFAOYSA-N 1 2 365.389 2.979 40 0 FFABLO Cc1ccc(NC(=S)NCCCn2cc[nH+]c2)cc1N1CCCC1=O ZINC000225522097 509376540 /nfs/dbraw/zinc/37/65/40/509376540.db2.gz NYGLRSYHDTWEPN-UHFFFAOYSA-N 1 2 357.483 2.695 40 0 FFABLO COc1ccc(C[NH+]2CC3(C2)C[C@H](Oc2nccc(C)n2)CCO3)cc1 ZINC000253480748 509884602 /nfs/dbraw/zinc/88/46/02/509884602.db2.gz YPLBXTAPBJDWNJ-GOSISDBHSA-N 1 2 355.438 2.606 40 0 FFABLO Cc1cc(Nc2ncccn2)nc([C@H]2CCCCN2Cc2c[nH+]c[nH]2)n1 ZINC000257280890 534006158 /nfs/dbraw/zinc/00/61/58/534006158.db2.gz OMUVXIYSQMGGMT-OAHLLOKOSA-N 1 2 350.430 2.769 40 0 FFABLO Cc1cc(Nc2ncccn2)nc([C@H]2CCCCN2Cc2c[nH]c[nH+]2)n1 ZINC000257280890 534006163 /nfs/dbraw/zinc/00/61/63/534006163.db2.gz OMUVXIYSQMGGMT-OAHLLOKOSA-N 1 2 350.430 2.769 40 0 FFABLO CCN1C(=O)CC[C@@H](C(=O)NCCCn2cc[nH+]c2)[C@@H]1c1ccccc1C ZINC000257343564 528949021 /nfs/dbraw/zinc/94/90/21/528949021.db2.gz ZTMMNHCGVZNQOV-QUCCMNQESA-N 1 2 368.481 2.698 40 0 FFABLO CNc1nc(Nc2ccc(N3CCOCC3)cc2)cc(-c2ccncc2)[nH+]1 ZINC000328969341 571130486 /nfs/dbraw/zinc/13/04/86/571130486.db2.gz DDNDQBKWKCAFDO-UHFFFAOYSA-N 1 2 362.437 3.161 40 0 FFABLO Cn1c2nnc(CSc3[nH+]cc4ccccn43)n2c2ccccc2c1=O ZINC000012530768 210142011 /nfs/dbraw/zinc/14/20/11/210142011.db2.gz FZJOAPAQUZEGKI-UHFFFAOYSA-N 1 2 362.418 2.521 40 0 FFABLO Cc1ccc(Nc2cc(C3CC3)[nH+]c(NCCO)n2)cc1C(F)(F)F ZINC000329071447 210134755 /nfs/dbraw/zinc/13/47/55/210134755.db2.gz ZPYHBNFMTBXRCZ-UHFFFAOYSA-N 1 2 352.360 2.673 40 0 FFABLO OCCCNc1nc(Nc2cccc(OC(F)(F)F)c2)cc(C2CC2)[nH+]1 ZINC000329023564 210130741 /nfs/dbraw/zinc/13/07/41/210130741.db2.gz OUZWZLGCAFCFQF-UHFFFAOYSA-N 1 2 368.359 2.634 40 0 FFABLO Cc1cccc(COC[C@H]2CN(Cc3nccs3)Cc3c[nH+]cn32)n1 ZINC000306144673 210058073 /nfs/dbraw/zinc/05/80/73/210058073.db2.gz ZLVPNIZXGGEMQD-QGZVFWFLSA-N 1 2 355.467 2.817 40 0 FFABLO O=C(c1ccccc1)N1CCC[C@]2(C[N@H+](Cc3cccnc3)CCO2)CC1 ZINC000306140678 210057808 /nfs/dbraw/zinc/05/78/08/210057808.db2.gz VAMLHZSZEZZHAE-JOCHJYFZSA-N 1 2 365.477 2.979 40 0 FFABLO O=C(c1ccccc1)N1CCC[C@]2(C[N@@H+](Cc3cccnc3)CCO2)CC1 ZINC000306140678 210057814 /nfs/dbraw/zinc/05/78/14/210057814.db2.gz VAMLHZSZEZZHAE-JOCHJYFZSA-N 1 2 365.477 2.979 40 0 FFABLO Cc1cc([C@@H]2CCCCN2C(=O)CCCn2cc[nH+]c2)nc2nccn21 ZINC000257225937 223027813 /nfs/dbraw/zinc/02/78/13/223027813.db2.gz FIMLXSGQPISZGX-KRWDZBQOSA-N 1 2 352.442 2.768 40 0 FFABLO Cc1ncc(C[N@@H+]2CCO[C@H](c3cccc(-c4cnn(C)c4)n3)C2)s1 ZINC000257243572 223034209 /nfs/dbraw/zinc/03/42/09/223034209.db2.gz IHPCHFXNFDGCBA-SFHVURJKSA-N 1 2 355.467 2.821 40 0 FFABLO Cc1ncc(C[N@H+]2CCO[C@H](c3cccc(-c4cnn(C)c4)n3)C2)s1 ZINC000257243572 223034212 /nfs/dbraw/zinc/03/42/12/223034212.db2.gz IHPCHFXNFDGCBA-SFHVURJKSA-N 1 2 355.467 2.821 40 0 FFABLO Cc1cn(C)c([C@H]2CCCN(C(=O)c3ccnc(N4CCCC4)c3)C2)[nH+]1 ZINC000257316222 223063048 /nfs/dbraw/zinc/06/30/48/223063048.db2.gz VEQVUQHJQDHNDV-KRWDZBQOSA-N 1 2 353.470 2.744 40 0 FFABLO Cc1cn(C)c([C@@H]2CCCN(C(=O)c3ccnc(N4CCCC4)c3)C2)[nH+]1 ZINC000257316223 223063504 /nfs/dbraw/zinc/06/35/04/223063504.db2.gz VEQVUQHJQDHNDV-QGZVFWFLSA-N 1 2 353.470 2.744 40 0 FFABLO COC(=O)[C@@H]1Cc2[nH+]cn(C)c2CN1Cc1ccc(C(F)(F)F)cc1 ZINC000015707102 220162145 /nfs/dbraw/zinc/16/21/45/220162145.db2.gz XLMDULNFTZIHOG-AWEZNQCLSA-N 1 2 353.344 2.539 40 0 biogenic,in-vitro FFABLO Cn1cc(C[N@@H+]2CCO[C@](C)(C(=O)NC3CCCC3)C2)c2cc(F)ccc21 ZINC000019746947 211253249 /nfs/dbraw/zinc/25/32/49/211253249.db2.gz HCPBHDMLBKTAFW-NRFANRHFSA-N 1 2 373.472 2.967 40 0 FFABLO Cn1cc(C[N@H+]2CCO[C@](C)(C(=O)NC3CCCC3)C2)c2cc(F)ccc21 ZINC000019746947 211253253 /nfs/dbraw/zinc/25/32/53/211253253.db2.gz HCPBHDMLBKTAFW-NRFANRHFSA-N 1 2 373.472 2.967 40 0 FFABLO CC(C)c1cc(C(=O)N2C[C@H](C[NH+]3CCOCC3)c3ccccc32)n(C)n1 ZINC000019452238 211222689 /nfs/dbraw/zinc/22/26/89/211222689.db2.gz GYBKRVYTPHXUBH-INIZCTEOSA-N 1 2 368.481 2.620 40 0 FFABLO Cc1nn(C(C)C)c(C)c1C[N@H+]1CCc2nc3ccsc3c(=O)n2CC1 ZINC000019577480 211234898 /nfs/dbraw/zinc/23/48/98/211234898.db2.gz CQNURXCUVQEMCK-UHFFFAOYSA-N 1 2 371.510 2.911 40 0 FFABLO Cc1nn(C(C)C)c(C)c1C[N@@H+]1CCc2nc3ccsc3c(=O)n2CC1 ZINC000019577480 211234903 /nfs/dbraw/zinc/23/49/03/211234903.db2.gz CQNURXCUVQEMCK-UHFFFAOYSA-N 1 2 371.510 2.911 40 0 FFABLO Cc1ccc(C)c([C@H](O)C[NH+]2CCN(C(=O)c3cccc(F)c3)CC2)c1 ZINC000019132066 211203815 /nfs/dbraw/zinc/20/38/15/211203815.db2.gz TUZMDHSJQFQMFI-HXUWFJFHSA-N 1 2 356.441 2.934 40 0 FFABLO O=C(NCC[NH+]1CCOCC1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000019074435 211201342 /nfs/dbraw/zinc/20/13/42/211201342.db2.gz NKOUBASONRQUCK-UHFFFAOYSA-N 1 2 370.293 2.786 40 0 FFABLO CC(=O)c1ccc(NC(=S)N2CC[NH+](Cc3ccccn3)CC2)cc1 ZINC000016704533 211166538 /nfs/dbraw/zinc/16/65/38/211166538.db2.gz XENRXQKLJMBEHY-UHFFFAOYSA-N 1 2 354.479 2.799 40 0 FFABLO Cc1nc(C[N@@H+]2CCOC[C@]3(CCN(Cc4nccs4)C3)C2)cs1 ZINC000096062430 222008417 /nfs/dbraw/zinc/00/84/17/222008417.db2.gz PYWFBBMZUJUNLH-KRWDZBQOSA-N 1 2 364.540 2.633 40 0 FFABLO Cc1nc(C[N@H+]2CCOC[C@]3(CCN(Cc4nccs4)C3)C2)cs1 ZINC000096062430 222008421 /nfs/dbraw/zinc/00/84/21/222008421.db2.gz PYWFBBMZUJUNLH-KRWDZBQOSA-N 1 2 364.540 2.633 40 0 FFABLO O=C(c1cccnc1)N1CCC2(CC1)COCC[N@H+]2Cc1ccc(F)cc1 ZINC000096074701 222012334 /nfs/dbraw/zinc/01/23/34/222012334.db2.gz YJTYJIALCRZPNG-UHFFFAOYSA-N 1 2 369.440 2.728 40 0 FFABLO O=C(c1cccnc1)N1CCC2(CC1)COCC[N@@H+]2Cc1ccc(F)cc1 ZINC000096074701 222012338 /nfs/dbraw/zinc/01/23/38/222012338.db2.gz YJTYJIALCRZPNG-UHFFFAOYSA-N 1 2 369.440 2.728 40 0 FFABLO COc1cccc(C[N@@H+]2C[C@H]3C[C@H](C(=O)NCc4ccccc4)[C@@H](C2)O3)c1 ZINC000096253442 222102466 /nfs/dbraw/zinc/10/24/66/222102466.db2.gz HJKGUSIEQOTPOZ-QHAWAJNXSA-N 1 2 366.461 2.601 40 0 FFABLO COc1cccc(C[N@H+]2C[C@H]3C[C@H](C(=O)NCc4ccccc4)[C@@H](C2)O3)c1 ZINC000096253442 222102469 /nfs/dbraw/zinc/10/24/69/222102469.db2.gz HJKGUSIEQOTPOZ-QHAWAJNXSA-N 1 2 366.461 2.601 40 0 FFABLO O=C(N[C@@H]1CCO[C@]2(CC[N@H+](Cc3nccs3)C2)C1)c1ccccc1 ZINC000096208063 222077940 /nfs/dbraw/zinc/07/79/40/222077940.db2.gz MLDRQBDCBBMCHZ-VQIMIIECSA-N 1 2 357.479 2.697 40 0 FFABLO O=C(N[C@@H]1CCO[C@]2(CC[N@@H+](Cc3nccs3)C2)C1)c1ccccc1 ZINC000096208063 222077945 /nfs/dbraw/zinc/07/79/45/222077945.db2.gz MLDRQBDCBBMCHZ-VQIMIIECSA-N 1 2 357.479 2.697 40 0 FFABLO Cc1nc(C[N@@H+]2CCC[C@]3(CN(Cc4ccccn4)CCO3)C2)cs1 ZINC000096226690 222088221 /nfs/dbraw/zinc/08/82/21/222088221.db2.gz IUXAUYMYLMTCJD-LJQANCHMSA-N 1 2 358.511 2.714 40 0 FFABLO Cc1nc(C[N@H+]2CCC[C@]3(CN(Cc4ccccn4)CCO3)C2)cs1 ZINC000096226690 222088225 /nfs/dbraw/zinc/08/82/25/222088225.db2.gz IUXAUYMYLMTCJD-LJQANCHMSA-N 1 2 358.511 2.714 40 0 FFABLO Cc1nc(CN2CCC[C@@]3(C2)C[N@H+](Cc2ccccn2)CCO3)cs1 ZINC000096226690 222088229 /nfs/dbraw/zinc/08/82/29/222088229.db2.gz IUXAUYMYLMTCJD-LJQANCHMSA-N 1 2 358.511 2.714 40 0 FFABLO Cc1nc(CN2CCC[C@@]3(C2)C[N@@H+](Cc2ccccn2)CCO3)cs1 ZINC000096226690 222088231 /nfs/dbraw/zinc/08/82/31/222088231.db2.gz IUXAUYMYLMTCJD-LJQANCHMSA-N 1 2 358.511 2.714 40 0 FFABLO COc1ccccc1OCCNC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000107613589 222398390 /nfs/dbraw/zinc/39/83/90/222398390.db2.gz ODJDDMYJQNYYBO-UHFFFAOYSA-N 1 2 351.406 2.749 40 0 FFABLO CC(C)(CNC(=O)C12C[C@H]3C[C@H](CC(Cl)(C3)C1)C2)[NH+]1CCOCC1 ZINC000036622390 506410104 /nfs/dbraw/zinc/41/01/04/506410104.db2.gz GRCRLGSAXLHMFB-MYMYQCDVSA-N 1 2 354.922 2.791 40 0 FFABLO Cc1cccc(N2C(=O)C[C@H]([NH+]3CCN(c4ccccc4)CC3)C2=O)c1C ZINC000036633926 506410640 /nfs/dbraw/zinc/41/06/40/506410640.db2.gz YSYSGYNMQHZNHL-FQEVSTJZSA-N 1 2 363.461 2.758 40 0 FFABLO CCOCCCNC(=O)C1CCN(c2[nH+]c3ccccc3n2CC)CC1 ZINC000012116378 506817853 /nfs/dbraw/zinc/81/78/53/506817853.db2.gz AWDDBMDLRRGDGN-UHFFFAOYSA-N 1 2 358.486 2.815 40 0 FFABLO COc1ccc(C[N@H+]2[C@@H]3CC[C@H]2Cc2c3cnc3cc(C)nn32)cc1CO ZINC000072336930 507777613 /nfs/dbraw/zinc/77/76/13/507777613.db2.gz KWXYXZTVBTVSMJ-FUHWJXTLSA-N 1 2 364.449 2.800 40 0 FFABLO COc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2Cc2c3cnc3cc(C)nn32)cc1CO ZINC000072336930 507777616 /nfs/dbraw/zinc/77/76/16/507777616.db2.gz KWXYXZTVBTVSMJ-FUHWJXTLSA-N 1 2 364.449 2.800 40 0 FFABLO O=C(c1ccc(F)cc1)N1CCC(c2cncc(-n3cc[nH+]c3)n2)CC1 ZINC000072355323 507779352 /nfs/dbraw/zinc/77/93/52/507779352.db2.gz CGQBFVNPMNEFFB-UHFFFAOYSA-N 1 2 351.385 2.821 40 0 FFABLO Cc1ccsc1C[N@@H+]1Cc2ncn(C)c2[C@H](C(=O)NC2CCCC2)C1 ZINC000248070272 509230134 /nfs/dbraw/zinc/23/01/34/509230134.db2.gz XGSXFTPXLICFLE-OAHLLOKOSA-N 1 2 358.511 2.948 40 0 FFABLO Cc1ccsc1C[N@H+]1Cc2ncn(C)c2[C@H](C(=O)NC2CCCC2)C1 ZINC000248070272 509230142 /nfs/dbraw/zinc/23/01/42/509230142.db2.gz XGSXFTPXLICFLE-OAHLLOKOSA-N 1 2 358.511 2.948 40 0 FFABLO CCCC[C@@](C)(OC)C(=O)Nc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000225618526 509380096 /nfs/dbraw/zinc/38/00/96/509380096.db2.gz ZCZGEVIBFVUXDW-HXUWFJFHSA-N 1 2 364.486 2.931 40 0 FFABLO CCC[C@](C)(OC)C(=O)Nc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000225611355 509380909 /nfs/dbraw/zinc/38/09/09/509380909.db2.gz POLVOSUJWDEXDN-IBGZPJMESA-N 1 2 350.459 2.541 40 0 FFABLO C[N@@H+]1C[C@@H](NC(=O)CC(C)(C)C)C[C@H]1c1nc(Cc2ccccc2)no1 ZINC000020464239 524008609 /nfs/dbraw/zinc/00/86/09/524008609.db2.gz ONWIPFOJHGOPAP-HOTGVXAUSA-N 1 2 356.470 2.958 40 0 biogenic,in-vitro FFABLO C[N@H+]1C[C@@H](NC(=O)CC(C)(C)C)C[C@H]1c1nc(Cc2ccccc2)no1 ZINC000020464239 524008613 /nfs/dbraw/zinc/00/86/13/524008613.db2.gz ONWIPFOJHGOPAP-HOTGVXAUSA-N 1 2 356.470 2.958 40 0 biogenic,in-vitro FFABLO O=C(c1cc([C@H]2CCCC[N@H+]2Cc2ccc(F)cc2)[nH]n1)N1CCOCC1 ZINC000072380526 571188178 /nfs/dbraw/zinc/18/81/78/571188178.db2.gz MMAQMFKKKJNSBX-LJQANCHMSA-N 1 2 372.444 2.748 40 0 FFABLO O=C(c1cc([C@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)[nH]n1)N1CCOCC1 ZINC000072380526 571188179 /nfs/dbraw/zinc/18/81/79/571188179.db2.gz MMAQMFKKKJNSBX-LJQANCHMSA-N 1 2 372.444 2.748 40 0 FFABLO Cc1ccc(Nc2cc(-c3ccccc3)[nH+]c(N[C@H](C)CO)n2)cc1F ZINC000329056147 210133403 /nfs/dbraw/zinc/13/34/03/210133403.db2.gz VRRYEDCGDFEWCS-CQSZACIVSA-N 1 2 352.413 2.971 40 0 FFABLO FC(F)C(F)(F)Oc1cccc(-c2[nH]n3cnc4nncc-4c3[nH+]2)c1 ZINC000006828873 210089994 /nfs/dbraw/zinc/08/99/94/210089994.db2.gz QKNATVTVLJOBEH-UHFFFAOYSA-N 1 2 352.251 2.904 40 0 FFABLO Cc1nc(CN2Cc3c[nH+]cn3[C@H](COCc3ccccn3)C2)cs1 ZINC000306140605 210057973 /nfs/dbraw/zinc/05/79/73/210057973.db2.gz UYUCUNWWDXVAIH-SFHVURJKSA-N 1 2 355.467 2.817 40 0 FFABLO Cc1nc2sccn2c1C[N@@H+]1CCO[C@@H](CCc2cc(C)ncn2)C1 ZINC000257216319 223023888 /nfs/dbraw/zinc/02/38/88/223023888.db2.gz CTZPLXLKXFLFCS-INIZCTEOSA-N 1 2 357.483 2.636 40 0 FFABLO Cc1nc2sccn2c1C[N@H+]1CCO[C@@H](CCc2cc(C)ncn2)C1 ZINC000257216319 223023890 /nfs/dbraw/zinc/02/38/90/223023890.db2.gz CTZPLXLKXFLFCS-INIZCTEOSA-N 1 2 357.483 2.636 40 0 FFABLO CN(C)C(=O)c1sc2nccnc2c1[C@@H]1CC[N@H+](Cc2cscn2)C1 ZINC000257254979 223038952 /nfs/dbraw/zinc/03/89/52/223038952.db2.gz KFPLWMLYNOBXQG-LLVKDONJSA-N 1 2 373.507 2.839 40 0 FFABLO CN(C)C(=O)c1sc2nccnc2c1[C@@H]1CC[N@@H+](Cc2cscn2)C1 ZINC000257254979 223038954 /nfs/dbraw/zinc/03/89/54/223038954.db2.gz KFPLWMLYNOBXQG-LLVKDONJSA-N 1 2 373.507 2.839 40 0 FFABLO Cc1cc(C)nc(Nc2nccnc2[C@H]2CCC[N@H+](Cc3c[nH]cn3)C2)n1 ZINC000257292678 223053999 /nfs/dbraw/zinc/05/39/99/223053999.db2.gz QMNUQIIXDPSJSA-HNNXBMFYSA-N 1 2 364.457 2.730 40 0 FFABLO Cc1cc(C)nc(Nc2nccnc2[C@H]2CCC[N@@H+](Cc3c[nH]cn3)C2)n1 ZINC000257292678 223054003 /nfs/dbraw/zinc/05/40/03/223054003.db2.gz QMNUQIIXDPSJSA-HNNXBMFYSA-N 1 2 364.457 2.730 40 0 FFABLO Cc1cc(C)nc(Nc2nccnc2[C@H]2CCC[N@H+](Cc3cnc[nH]3)C2)n1 ZINC000257292678 223054004 /nfs/dbraw/zinc/05/40/04/223054004.db2.gz QMNUQIIXDPSJSA-HNNXBMFYSA-N 1 2 364.457 2.730 40 0 FFABLO Cc1cc(C)nc(Nc2nccnc2[C@H]2CCC[N@@H+](Cc3cnc[nH]3)C2)n1 ZINC000257292678 223054008 /nfs/dbraw/zinc/05/40/08/223054008.db2.gz QMNUQIIXDPSJSA-HNNXBMFYSA-N 1 2 364.457 2.730 40 0 FFABLO Cc1c(C[N@@H+]2CCO[C@H](c3cncc(-c4ccccc4F)n3)C2)cnn1C ZINC000257294063 223054278 /nfs/dbraw/zinc/05/42/78/223054278.db2.gz QSGYLZSBVWBFAU-FQEVSTJZSA-N 1 2 367.428 2.898 40 0 FFABLO Cc1c(C[N@H+]2CCO[C@H](c3cncc(-c4ccccc4F)n3)C2)cnn1C ZINC000257294063 223054281 /nfs/dbraw/zinc/05/42/81/223054281.db2.gz QSGYLZSBVWBFAU-FQEVSTJZSA-N 1 2 367.428 2.898 40 0 FFABLO Cc1nc(Nc2cnccn2)cc([C@H]2CCCC[N@H+]2Cc2cnn(C)c2)n1 ZINC000257312680 223061580 /nfs/dbraw/zinc/06/15/80/223061580.db2.gz UPBUGJBPJITPIM-QGZVFWFLSA-N 1 2 364.457 2.779 40 0 FFABLO Cc1nc(Nc2cnccn2)cc([C@H]2CCCC[N@@H+]2Cc2cnn(C)c2)n1 ZINC000257312680 223061582 /nfs/dbraw/zinc/06/15/82/223061582.db2.gz UPBUGJBPJITPIM-QGZVFWFLSA-N 1 2 364.457 2.779 40 0 FFABLO COC(=O)[C@@H]1Cc2[nH+]cn(Cc3ccccc3)c2CN1C(=O)CC(C)(C)C ZINC000012530246 220002762 /nfs/dbraw/zinc/00/27/62/220002762.db2.gz BECRAVWNHCAVMK-KRWDZBQOSA-N 1 2 369.465 2.794 40 0 biogenic,in-vitro FFABLO COc1cc([C@@H]2CN(C(=O)OC(C)(C)C)CC[NH2+]2)cc(OC)c1OC ZINC000022113689 211339980 /nfs/dbraw/zinc/33/99/80/211339980.db2.gz KKHSBESKMJAZDS-ZDUSSCGKSA-N 1 2 352.431 2.594 40 0 FFABLO CNC(=O)c1cc([C@@H]2C[N@@H+](Cc3ccccn3)CCO2)nc2ccccc21 ZINC000019754335 211255458 /nfs/dbraw/zinc/25/54/58/211255458.db2.gz QGWSXQNEJRYHOH-FQEVSTJZSA-N 1 2 362.433 2.563 40 0 FFABLO CNC(=O)c1cc([C@@H]2C[N@H+](Cc3ccccn3)CCO2)nc2ccccc21 ZINC000019754335 211255452 /nfs/dbraw/zinc/25/54/52/211255452.db2.gz QGWSXQNEJRYHOH-FQEVSTJZSA-N 1 2 362.433 2.563 40 0 FFABLO COc1ccc(C[N@@H+]2CCc3c(=O)[nH]c(-c4cccnc4)nc3C2)cc1O ZINC000019559753 211233880 /nfs/dbraw/zinc/23/38/80/211233880.db2.gz RNZVUIIVRSTJDJ-UHFFFAOYSA-N 1 2 364.405 2.517 40 0 FFABLO COc1ccc(C[N@H+]2CCc3c(=O)[nH]c(-c4cccnc4)nc3C2)cc1O ZINC000019559753 211233883 /nfs/dbraw/zinc/23/38/83/211233883.db2.gz RNZVUIIVRSTJDJ-UHFFFAOYSA-N 1 2 364.405 2.517 40 0 FFABLO Cc1cccnc1C[NH+]1CCN(C(=O)[C@@H](C)Oc2ccccc2F)CC1 ZINC000019237801 211209379 /nfs/dbraw/zinc/20/93/79/211209379.db2.gz WMWJJOJRFYQDJK-MRXNPFEDSA-N 1 2 357.429 2.641 40 0 FFABLO COc1ccc(S(=O)(=O)N2CC[NH+](Cc3ccccc3)CC2)c(C)c1 ZINC000019571543 220276684 /nfs/dbraw/zinc/27/66/84/220276684.db2.gz FNJILIVKGAPYRG-UHFFFAOYSA-N 1 2 360.479 2.510 40 0 FFABLO CNc1cncc([C@@H]2CCCN2C(=O)Cn2c(C)[nH+]c3ccccc32)n1 ZINC000257324459 533072303 /nfs/dbraw/zinc/07/23/03/533072303.db2.gz WOTSNECDRHKUBP-KRWDZBQOSA-N 1 2 350.426 2.540 40 0 FFABLO C[C@@H]1C[C@H](NC(=O)N2CCN(c3cc(F)ccc3F)CC2)c2[nH+]ccn21 ZINC000333053056 258246968 /nfs/dbraw/zinc/24/69/68/258246968.db2.gz BWWDGSRWLDPPNB-DOMZBBRYSA-N 1 2 361.396 2.699 40 0 FFABLO Cc1nc(N2CCC[C@@](C)(C(=O)NC3Cc4ccccc4C3)C2)cc[nH+]1 ZINC000257261343 132295870 /nfs/dbraw/zinc/29/58/70/132295870.db2.gz LGXDTZUOMABGIT-OAQYLSRUSA-N 1 2 350.466 2.675 40 0 FFABLO O=C1[C@@H]2C[C@@H](CN2Cc2[nH]cc[nH+]2)Oc2ccccc2N1Cc1ccccc1 ZINC000096111791 222029162 /nfs/dbraw/zinc/02/91/62/222029162.db2.gz WBIXRABUIKCLSP-HKUYNNGSSA-N 1 2 374.444 2.978 40 0 biogenic,in-vitro FFABLO Cc1nc(C[N@@H+]2CCOC[C@@]3(CCN(Cc4nccs4)C3)C2)cs1 ZINC000096062431 222009606 /nfs/dbraw/zinc/00/96/06/222009606.db2.gz PYWFBBMZUJUNLH-QGZVFWFLSA-N 1 2 364.540 2.633 40 0 FFABLO Cc1nc(C[N@H+]2CCOC[C@@]3(CCN(Cc4nccs4)C3)C2)cs1 ZINC000096062431 222009610 /nfs/dbraw/zinc/00/96/10/222009610.db2.gz PYWFBBMZUJUNLH-QGZVFWFLSA-N 1 2 364.540 2.633 40 0 FFABLO C[C@H](CNC(=O)C1=NO[C@]2(CC[N@H+](Cc3ccoc3)C2)C1)c1ccccc1 ZINC000096225705 222087220 /nfs/dbraw/zinc/08/72/20/222087220.db2.gz YBHZOCCRHFCMBX-IIBYNOLFSA-N 1 2 367.449 2.920 40 0 FFABLO C[C@H](CNC(=O)C1=NO[C@]2(CC[N@@H+](Cc3ccoc3)C2)C1)c1ccccc1 ZINC000096225705 222087222 /nfs/dbraw/zinc/08/72/22/222087222.db2.gz YBHZOCCRHFCMBX-IIBYNOLFSA-N 1 2 367.449 2.920 40 0 FFABLO O=C1C=C([NH2+]Nc2nc3ccccc3s2)C(O)N1c1ccc(F)c(F)c1 ZINC000104346401 222356372 /nfs/dbraw/zinc/35/63/72/222356372.db2.gz FAEUFFMQPRHKRU-ZDUSSCGKSA-N 1 2 374.372 2.823 40 0 FFABLO O=C(Nc1nc2ccccc2n1CC[NH+]1CCOCC1)c1cccs1 ZINC000032501872 506260861 /nfs/dbraw/zinc/26/08/61/506260861.db2.gz YTYKRDJVDSRLTN-UHFFFAOYSA-N 1 2 356.451 2.682 40 0 FFABLO C[C@H]1CCCN(c2nc3c(c(=O)[nH]2)CC[N@H+](Cc2ccc(F)cc2)C3)C1 ZINC000012182649 506827671 /nfs/dbraw/zinc/82/76/71/506827671.db2.gz QIBADLHHSBNBLH-AWEZNQCLSA-N 1 2 356.445 2.704 40 0 FFABLO C[C@H]1CCCN(c2nc3c(c(=O)[nH]2)CC[N@@H+](Cc2ccc(F)cc2)C3)C1 ZINC000012182649 506827681 /nfs/dbraw/zinc/82/76/81/506827681.db2.gz QIBADLHHSBNBLH-AWEZNQCLSA-N 1 2 356.445 2.704 40 0 FFABLO Cc1[nH+]c(N2CCOCC2)ccc1C(=O)CCCNC(=O)OC(C)(C)C ZINC000072219609 507770794 /nfs/dbraw/zinc/77/07/94/507770794.db2.gz GFZKRDZDJWXYPE-UHFFFAOYSA-N 1 2 363.458 2.714 40 0 FFABLO CCc1[nH+]ccn1-c1cncc(C2CCN(C(=O)c3coc(C)n3)CC2)n1 ZINC000072355641 507779115 /nfs/dbraw/zinc/77/91/15/507779115.db2.gz CSHFDYIBBFATJY-UHFFFAOYSA-N 1 2 366.425 2.541 40 0 FFABLO CCc1[nH+]ccn1-c1nccnc1[C@@H]1CCCN(C(=O)c2cccnc2)C1 ZINC000072350605 507779380 /nfs/dbraw/zinc/77/93/80/507779380.db2.gz GDBPGBYOGOWXLA-MRXNPFEDSA-N 1 2 362.437 2.640 40 0 FFABLO COc1ccc(NC(=O)c2cccc(C[NH+]3CCOCC3)c2)c(OC)c1 ZINC000030751732 507812821 /nfs/dbraw/zinc/81/28/21/507812821.db2.gz XBYHHRSZUVGAGJ-UHFFFAOYSA-N 1 2 356.422 2.788 40 0 FFABLO c1cncc(CO[C@H]2CCOC3(C[NH+](Cc4ccc5c(c4)OCO5)C3)C2)c1 ZINC000248331022 509270226 /nfs/dbraw/zinc/27/02/26/509270226.db2.gz GJPVEALODWXZJW-SFHVURJKSA-N 1 2 368.433 2.761 40 0 FFABLO Cc1cccc(Nc2ccc(NC(=S)NCC[NH+]3CCOCC3)cn2)c1 ZINC000223894577 509349237 /nfs/dbraw/zinc/34/92/37/509349237.db2.gz VKEARAPGXFAMLK-UHFFFAOYSA-N 1 2 371.510 2.752 40 0 FFABLO O=C(Cc1cccs1)N1Cc2c[nH+]cn2[C@@H](COCc2cccnc2)C1 ZINC000247864507 510871763 /nfs/dbraw/zinc/87/17/63/510871763.db2.gz NYZCQFPNSGKKJL-QGZVFWFLSA-N 1 2 368.462 2.682 40 0 FFABLO C[C@H]1c2ncc(CCOc3cc[nH+]cc3)n2CCN1C(=O)c1ccoc1 ZINC000585097145 518533386 /nfs/dbraw/zinc/53/33/86/518533386.db2.gz GEJIRTINFZIYLY-AWEZNQCLSA-N 1 2 352.394 2.710 40 0 FFABLO C[C@@H]1c2ncc(CCOc3cc[nH+]cc3)n2CCN1C(=O)C1CC=CC1 ZINC000585098512 518535555 /nfs/dbraw/zinc/53/55/55/518535555.db2.gz UJWRVSAWJRAAOP-OAHLLOKOSA-N 1 2 352.438 2.769 40 0 FFABLO CC(=O)Nc1ccc(-c2c[nH+]c3n2CCN(C(=O)C2(F)CCC2)CC3)cc1 ZINC000585111346 518543907 /nfs/dbraw/zinc/54/39/07/518543907.db2.gz PNFHLRPGEKRBMY-UHFFFAOYSA-N 1 2 370.428 2.785 40 0 FFABLO CO[C@H]1CCN(C(=O)c2nc3c(o2)CC[N@@H+]([C@@H](C)c2ccccc2)C3)C1 ZINC000585111499 518544445 /nfs/dbraw/zinc/54/44/45/518544445.db2.gz BWCJKNCIBRVTBE-HOCLYGCPSA-N 1 2 355.438 2.655 40 0 FFABLO CO[C@H]1CCN(C(=O)c2nc3c(o2)CC[N@H+]([C@@H](C)c2ccccc2)C3)C1 ZINC000585111499 518544452 /nfs/dbraw/zinc/54/44/52/518544452.db2.gz BWCJKNCIBRVTBE-HOCLYGCPSA-N 1 2 355.438 2.655 40 0 FFABLO Cc1nc([C@H]2C[N@H+](Cc3c[nH]nc3-c3cccs3)CCO2)cc(=O)[nH]1 ZINC000257250158 534502438 /nfs/dbraw/zinc/50/24/38/534502438.db2.gz JLGURZSWCKEVHA-CQSZACIVSA-N 1 2 357.439 2.516 40 0 FFABLO Cc1nc([C@H]2C[N@@H+](Cc3c[nH]nc3-c3cccs3)CCO2)cc(=O)[nH]1 ZINC000257250158 534502446 /nfs/dbraw/zinc/50/24/46/534502446.db2.gz JLGURZSWCKEVHA-CQSZACIVSA-N 1 2 357.439 2.516 40 0 FFABLO Cc1[nH+]c([C@]2(C)CCCN(C(=O)c3cncnc3C)C2)c2sccn12 ZINC000257340903 534617282 /nfs/dbraw/zinc/61/72/82/534617282.db2.gz ZIADKUNHOMGHOW-GOSISDBHSA-N 1 2 355.467 2.997 40 0 FFABLO Cc1[nH+]cc(-c2nccnc2CC2CCN(C(=O)C3CCC3)CC2)n1C ZINC000257321457 534722810 /nfs/dbraw/zinc/72/28/10/534722810.db2.gz WBTCHKMLKJVQHJ-UHFFFAOYSA-N 1 2 353.470 2.767 40 0 FFABLO CCc1[nH+]ccn1-c1cccc([C@@H]2CCCN2C(=O)c2cnn(C)c2)n1 ZINC000072379231 571187564 /nfs/dbraw/zinc/18/75/64/571187564.db2.gz LAFDVCXNGLLCLI-INIZCTEOSA-N 1 2 350.426 2.541 40 0 FFABLO CC[C@@H](C)Nc1nc(Nc2cc(C(=O)OC)ccc2OC)cc(C2CC2)[nH+]1 ZINC000328995854 210129594 /nfs/dbraw/zinc/12/95/94/210129594.db2.gz JISDPDADSIUGPQ-GFCCVEGCSA-N 1 2 370.453 2.947 40 0 FFABLO C[C@H](CO)Nc1nc(Nc2cccc(OC(F)(F)F)c2)cc(C2CC2)[nH+]1 ZINC000328955919 210125818 /nfs/dbraw/zinc/12/58/18/210125818.db2.gz ADXRVHURCCSUMF-SNVBAGLBSA-N 1 2 368.359 2.633 40 0 FFABLO Cn1ccc(C(=O)N2CC[C@]3(Cc4[nH+]cc(-c5ccc(F)cc5)n4C3)C2)n1 ZINC000306142322 210058190 /nfs/dbraw/zinc/05/81/90/210058190.db2.gz WVZSEDFOGKLAMG-FQEVSTJZSA-N 1 2 365.412 2.511 40 0 FFABLO CN(C(=O)CCOc1ccccc1)[C@@H]1CCCC[C@@H](n2cc[nH+]c2)[C@@H]1O ZINC000257230641 223029300 /nfs/dbraw/zinc/02/93/00/223029300.db2.gz GDERWFJJWMVQIP-QWFCFKBJSA-N 1 2 357.454 2.655 40 0 FFABLO Cc1cc(C)nc(Nc2nccnc2[C@H]2CCCN2Cc2[nH]cc[nH+]2)n1 ZINC000257286037 223051427 /nfs/dbraw/zinc/05/14/27/223051427.db2.gz PJYPUXDRSBVWJS-CQSZACIVSA-N 1 2 350.430 2.687 40 0 FFABLO NC(=O)c1sc2c(c1N)=C(c1ccco1)[C@@H]1CCCCCCC[C@@H]1[NH+]=2 ZINC000261508253 223075798 /nfs/dbraw/zinc/07/57/98/223075798.db2.gz QWEPOPBXBLFBTC-NEPJUHHUSA-N 1 2 357.479 2.584 40 0 FFABLO C[C@@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)c(-n3cccc3)c2)C[C@H](C)O1 ZINC000019497365 211225544 /nfs/dbraw/zinc/22/55/44/211225544.db2.gz YHGZQDFDYXCVKN-IYBDPMFKSA-N 1 2 350.422 2.912 40 0 FFABLO COc1ccccc1C[N@@H+]1CCc2c(nc(-c3cnc(C)cn3)[nH]c2=O)C1 ZINC000019239064 211208991 /nfs/dbraw/zinc/20/89/91/211208991.db2.gz WOESMLYBZIVSRY-UHFFFAOYSA-N 1 2 363.421 2.515 40 0 FFABLO COc1ccccc1C[N@H+]1CCc2c(nc(-c3cnc(C)cn3)[nH]c2=O)C1 ZINC000019239064 211208996 /nfs/dbraw/zinc/20/89/96/211208996.db2.gz WOESMLYBZIVSRY-UHFFFAOYSA-N 1 2 363.421 2.515 40 0 FFABLO COC(=O)C1=C(C(=O)OC)[C@@H]2CCC[C@H]1[C@@H]1[C@@H]2N=[NH+]N1c1ccccc1 ZINC000016940468 211173214 /nfs/dbraw/zinc/17/32/14/211173214.db2.gz VJUBMAIKLRQXPC-NSNWQYSKSA-N 1 2 355.394 2.684 40 0 FFABLO CNc1cc([C@@H]2CCCN2C(=O)CCn2nnc3ccccc32)cc[nH+]1 ZINC000257226089 533053844 /nfs/dbraw/zinc/05/38/44/533053844.db2.gz FJCMDZDJWYEYKS-INIZCTEOSA-N 1 2 350.426 2.622 40 0 FFABLO C[N@@H+]1C[C@@H](NC(=O)C2CCCCC2)C[C@H]1c1nc(-c2ccncc2)no1 ZINC000020464183 220327122 /nfs/dbraw/zinc/32/71/22/220327122.db2.gz XTADTMUNWZYKEJ-HOTGVXAUSA-N 1 2 355.442 2.573 40 0 biogenic,in-vitro FFABLO C[N@H+]1C[C@@H](NC(=O)C2CCCCC2)C[C@H]1c1nc(-c2ccncc2)no1 ZINC000020464183 220327127 /nfs/dbraw/zinc/32/71/27/220327127.db2.gz XTADTMUNWZYKEJ-HOTGVXAUSA-N 1 2 355.442 2.573 40 0 biogenic,in-vitro FFABLO Cc1cc(-c2cnc(NCC[NH+]3CCOCC3)nc2-c2cccs2)on1 ZINC000072336734 221470496 /nfs/dbraw/zinc/47/04/96/221470496.db2.gz TZSQSSOFEXVDAC-UHFFFAOYSA-N 1 2 371.466 2.913 40 0 FFABLO CCc1[nH+]ccn1-c1cncc([C@H]2CCCN2C(=O)c2scnc2C)n1 ZINC000072378613 221486725 /nfs/dbraw/zinc/48/67/25/221486725.db2.gz UHTWNQNXICTPLL-CQSZACIVSA-N 1 2 368.466 2.967 40 0 FFABLO CS(=O)(=O)c1c[nH]nc1[C@@H]1CCC[N@H+](Cc2ccc3[nH]ccc3c2)C1 ZINC000257323387 533466504 /nfs/dbraw/zinc/46/65/04/533466504.db2.gz WJYFEQZGVMKARI-OAHLLOKOSA-N 1 2 358.467 2.674 40 0 FFABLO CS(=O)(=O)c1c[nH]nc1[C@@H]1CCC[N@@H+](Cc2ccc3[nH]ccc3c2)C1 ZINC000257323387 533466506 /nfs/dbraw/zinc/46/65/06/533466506.db2.gz WJYFEQZGVMKARI-OAHLLOKOSA-N 1 2 358.467 2.674 40 0 FFABLO C[C@@H](CO)Nc1cc(N2CCc3ccc(Br)cc3C2)nc[nH+]1 ZINC000328982942 132372046 /nfs/dbraw/zinc/37/20/46/132372046.db2.gz HEFCERBVVONYKB-NSHDSACASA-N 1 2 363.259 2.595 40 0 FFABLO C[C@@H](CO)Nc1cc(N2CCc3ccc(Br)cc3C2)[nH+]cn1 ZINC000328982942 132372047 /nfs/dbraw/zinc/37/20/47/132372047.db2.gz HEFCERBVVONYKB-NSHDSACASA-N 1 2 363.259 2.595 40 0 FFABLO C[C@@H]1c2ncc(COCC3CCOCC3)n2CC[N@H+]1Cc1cccnc1 ZINC000096109796 222027500 /nfs/dbraw/zinc/02/75/00/222027500.db2.gz ALPPNSHTOFOKMO-MRXNPFEDSA-N 1 2 356.470 2.798 40 0 FFABLO C[C@@H]1c2ncc(COCC3CCOCC3)n2CC[N@@H+]1Cc1cccnc1 ZINC000096109796 222027504 /nfs/dbraw/zinc/02/75/04/222027504.db2.gz ALPPNSHTOFOKMO-MRXNPFEDSA-N 1 2 356.470 2.798 40 0 FFABLO C[C@@H]1c2ncc(COCC3CCOCC3)n2CC[N@H+]1Cc1ccncc1 ZINC000096109798 222028253 /nfs/dbraw/zinc/02/82/53/222028253.db2.gz UOVSNGAEHLTOME-MRXNPFEDSA-N 1 2 356.470 2.798 40 0 FFABLO C[C@@H]1c2ncc(COCC3CCOCC3)n2CC[N@@H+]1Cc1ccncc1 ZINC000096109798 222028255 /nfs/dbraw/zinc/02/82/55/222028255.db2.gz UOVSNGAEHLTOME-MRXNPFEDSA-N 1 2 356.470 2.798 40 0 FFABLO O=C(c1cccnc1)N1CCC(F)(F)[C@]2(CCN(c3cccc[nH+]3)C2)C1 ZINC000096239617 222095104 /nfs/dbraw/zinc/09/51/04/222095104.db2.gz VJZUKKDCCUINHH-SFHVURJKSA-N 1 2 358.392 2.855 40 0 FFABLO O=C(c1cccs1)N1Cc2c[nH+]cn2C[C@@H](COc2ccccn2)C1 ZINC000096208017 222078073 /nfs/dbraw/zinc/07/80/73/222078073.db2.gz XSLOCPQHFUNILD-AWEZNQCLSA-N 1 2 354.435 2.691 40 0 FFABLO O=C(c1ccccn1)N1CCC2(CC1)COCC[N@H+]2Cc1ccc(F)cc1 ZINC000096226201 222088578 /nfs/dbraw/zinc/08/85/78/222088578.db2.gz OXZSERMURWWTIS-UHFFFAOYSA-N 1 2 369.440 2.728 40 0 FFABLO O=C(c1ccccn1)N1CCC2(CC1)COCC[N@@H+]2Cc1ccc(F)cc1 ZINC000096226201 222088581 /nfs/dbraw/zinc/08/85/81/222088581.db2.gz OXZSERMURWWTIS-UHFFFAOYSA-N 1 2 369.440 2.728 40 0 FFABLO COc1cccc([C@H](NC(=O)c2cccnc2C)c2[nH+]ccn2C)c1OC ZINC000012114980 506817098 /nfs/dbraw/zinc/81/70/98/506817098.db2.gz OUPDLIYWHWYBIF-KRWDZBQOSA-N 1 2 366.421 2.660 40 0 FFABLO Cc1nc2c(c(=O)[nH]1)C[N@H+](CC(=O)Nc1ccccc1-c1ccccc1)CC2 ZINC000012144540 506823861 /nfs/dbraw/zinc/82/38/61/506823861.db2.gz WYVARGKIAGWGFP-UHFFFAOYSA-N 1 2 374.444 2.742 40 0 FFABLO Cc1nc2c(c(=O)[nH]1)C[N@@H+](CC(=O)Nc1ccccc1-c1ccccc1)CC2 ZINC000012144540 506823869 /nfs/dbraw/zinc/82/38/69/506823869.db2.gz WYVARGKIAGWGFP-UHFFFAOYSA-N 1 2 374.444 2.742 40 0 FFABLO O=C(Nc1ccc(C[NH+]2CCOCC2)cc1)c1ccc2nsnc2c1 ZINC000057313925 507236397 /nfs/dbraw/zinc/23/63/97/507236397.db2.gz VWKKGNUSMHOLGE-UHFFFAOYSA-N 1 2 354.435 2.776 40 0 FFABLO O=C1NC(c2ccccc2)(c2ccccc2)C(=O)N1CNc1cccc[nH+]1 ZINC000031772011 507821675 /nfs/dbraw/zinc/82/16/75/507821675.db2.gz DMIXYDOGNLDSRV-UHFFFAOYSA-N 1 2 358.401 2.947 40 0 FFABLO CCOc1ccc([C@@H]([NH3+])c2nnc(-c3ccc(OC)cc3)[nH]2)cc1OC ZINC000095534225 508197556 /nfs/dbraw/zinc/19/75/56/508197556.db2.gz YIUWTLPAJYPEAJ-QGZVFWFLSA-N 1 2 354.410 2.936 40 0 FFABLO CCOc1ccc([C@@H]([NH3+])c2nc(-c3ccc(OC)cc3)n[nH]2)cc1OC ZINC000095534225 508197558 /nfs/dbraw/zinc/19/75/58/508197558.db2.gz YIUWTLPAJYPEAJ-QGZVFWFLSA-N 1 2 354.410 2.936 40 0 FFABLO FC(F)(F)c1cccc(C[N@@H+]2CCOC[C@H](Oc3cnccn3)C2)c1 ZINC000077265926 508293722 /nfs/dbraw/zinc/29/37/22/508293722.db2.gz KLWWBQIYJZKYBC-OAHLLOKOSA-N 1 2 353.344 2.775 40 0 biogenic,in-vitro FFABLO FC(F)(F)c1cccc(C[N@H+]2CCOC[C@H](Oc3cnccn3)C2)c1 ZINC000077265926 508293724 /nfs/dbraw/zinc/29/37/24/508293724.db2.gz KLWWBQIYJZKYBC-OAHLLOKOSA-N 1 2 353.344 2.775 40 0 biogenic,in-vitro FFABLO Cc1ncc(CNC(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)c(F)c2)s1 ZINC000127143436 508405850 /nfs/dbraw/zinc/40/58/50/508405850.db2.gz BGXCVOPVNKWAHR-HZPDHXFCSA-N 1 2 366.437 2.974 40 0 FFABLO Cc1ncc(CNC(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(F)c(F)c2)s1 ZINC000127143436 508405852 /nfs/dbraw/zinc/40/58/52/508405852.db2.gz BGXCVOPVNKWAHR-HZPDHXFCSA-N 1 2 366.437 2.974 40 0 FFABLO Cc1ncc(CNC(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)c(F)c2)s1 ZINC000127143628 508406046 /nfs/dbraw/zinc/40/60/46/508406046.db2.gz BGXCVOPVNKWAHR-JKSUJKDBSA-N 1 2 366.437 2.974 40 0 FFABLO Cc1ncc(CNC(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(F)c(F)c2)s1 ZINC000127143628 508406049 /nfs/dbraw/zinc/40/60/49/508406049.db2.gz BGXCVOPVNKWAHR-JKSUJKDBSA-N 1 2 366.437 2.974 40 0 FFABLO C[C@@H]1CCCN(Cc2nnc(C[N@@H+]3CCC[C@@H](C)C3)n2-n2cccc2)C1 ZINC000225151320 509366304 /nfs/dbraw/zinc/36/63/04/509366304.db2.gz RJPIDKOBUCMNSY-QZTJIDSGSA-N 1 2 356.518 2.855 40 0 FFABLO C[C@@H]1CCCN(Cc2nnc(C[N@H+]3CCC[C@@H](C)C3)n2-n2cccc2)C1 ZINC000225151320 509366311 /nfs/dbraw/zinc/36/63/11/509366311.db2.gz RJPIDKOBUCMNSY-QZTJIDSGSA-N 1 2 356.518 2.855 40 0 FFABLO S=C(NCC[NH+]1CCOCC1)c1ccc(OCc2ccccc2)cc1 ZINC000408571770 513087577 /nfs/dbraw/zinc/08/75/77/513087577.db2.gz FREBNFMFSSJNEN-UHFFFAOYSA-N 1 2 356.491 2.863 40 0 FFABLO O=C(C=Cc1c[nH]c[nH+]1)N1CC[C@@]2(CCCO2)[C@H](OCc2ccccc2)C1 ZINC000585291512 518557659 /nfs/dbraw/zinc/55/76/59/518557659.db2.gz PPRYFFRIMNTKFM-HVXOQWJHSA-N 1 2 367.449 2.790 40 0 FFABLO Cc1[nH+]c2ccccc2n1CC(=O)N1CCO[C@@H](c2ccnc(C)c2)C1 ZINC000257234754 534673048 /nfs/dbraw/zinc/67/30/48/534673048.db2.gz GUYBNVCMPQYBHD-LJQANCHMSA-N 1 2 350.422 2.648 40 0 FFABLO COc1ccc(Nc2cc(C3CC3)[nH+]c(N[C@@H](CO)C(C)C)n2)cc1OC ZINC000329004770 571133896 /nfs/dbraw/zinc/13/38/96/571133896.db2.gz KTGJZMGNAANMMU-INIZCTEOSA-N 1 2 372.469 3.544 40 0 FFABLO CCc1cc(C(=O)N2Cc3[nH+]ccn3C[C@@H]2c2cccc(OC)c2)on1 ZINC000257315400 529515630 /nfs/dbraw/zinc/51/56/30/529515630.db2.gz VBDJKOXVSQBNPW-MRXNPFEDSA-N 1 2 352.394 2.839 40 0 FFABLO OCCCNc1nc(Nc2ccc(O)cc2Cl)cc(-c2ccccc2)[nH+]1 ZINC000329071258 210135957 /nfs/dbraw/zinc/13/59/57/210135957.db2.gz ZOCZANLSVILIEH-UHFFFAOYSA-N 1 2 370.840 2.884 40 0 FFABLO C[C@H](CO)Nc1nc(NCc2cccc(F)c2)cc(-c2ccccc2)[nH+]1 ZINC000329027353 210130755 /nfs/dbraw/zinc/13/07/55/210130755.db2.gz PSDDEBNREVYPQU-CQSZACIVSA-N 1 2 352.413 2.531 40 0 FFABLO O=C(c1cccc(F)c1)N1Cc2ccnn2C[C@@H](CNc2cccc[nH+]2)C1 ZINC000247967656 222958161 /nfs/dbraw/zinc/95/81/61/222958161.db2.gz ZVQUNGPFMFGFHP-HNNXBMFYSA-N 1 2 365.412 2.802 40 0 FFABLO Cc1ncsc1C(=O)N1CC[C@@H](c2ncncc2-c2cc[nH+]c(N)c2)C1 ZINC000257216446 223023780 /nfs/dbraw/zinc/02/37/80/223023780.db2.gz CUNUUSOJPVRHQA-CYBMUJFWSA-N 1 2 366.450 2.515 40 0 FFABLO Cc1cccnc1Nc1ccc([C@@H]2CN(Cc3[nH]cc[nH+]3)CCO2)nc1 ZINC000257330926 223068532 /nfs/dbraw/zinc/06/85/32/223068532.db2.gz XQPQFYKDNFNMQG-KRWDZBQOSA-N 1 2 350.426 2.825 40 0 FFABLO Cc1nc(N2CCOCC2)sc1-c1c[nH+]cn1CCCC(C)(C)CO ZINC000019719417 211251704 /nfs/dbraw/zinc/25/17/04/211251704.db2.gz PJUGTQFMIDQZNZ-UHFFFAOYSA-N 1 2 364.515 2.950 40 0 FFABLO Cc1nc(N2CCCC2)cc(CC2CCN(C(=O)c3cccnc3)CC2)[nH+]1 ZINC000019753958 211254811 /nfs/dbraw/zinc/25/48/11/211254811.db2.gz VGFYFZNZZZQSMQ-UHFFFAOYSA-N 1 2 365.481 2.875 40 0 FFABLO CC(C)[C@H](CNC(=O)c1cc(-c2ccc(F)cc2)no1)[NH+]1CCOCC1 ZINC000019659478 211241917 /nfs/dbraw/zinc/24/19/17/211241917.db2.gz PTKBHEJYPTXQJL-KRWDZBQOSA-N 1 2 361.417 2.567 40 0 FFABLO COc1ncc(C(=O)N2CCC[C@H](c3[nH+]c(C)n4c(C)csc34)C2)cn1 ZINC000019240453 211212123 /nfs/dbraw/zinc/21/21/23/211212123.db2.gz PWLLZZIGJXMKOW-ZDUSSCGKSA-N 1 2 371.466 2.831 40 0 FFABLO CCn1c(COc2ccccc2C)nnc1SCC[NH+]1CCOCC1 ZINC000019524209 220266045 /nfs/dbraw/zinc/26/60/45/220266045.db2.gz ZCLYWFHMPNBNKG-UHFFFAOYSA-N 1 2 362.499 2.610 40 0 FFABLO CCC[C@@H](c1nnnn1CCOC)[NH+]1CCN(c2cc(C)ccc2C)CC1 ZINC000057670017 136129828 /nfs/dbraw/zinc/12/98/28/136129828.db2.gz MSIFQAUZIPAEEX-SFHVURJKSA-N 1 2 372.517 2.600 40 0 FFABLO Cc1ccc(C(=O)N2CCCn3c(C[NH+]4CCCCC4)nnc3C2)cc1 ZINC000096084791 222018174 /nfs/dbraw/zinc/01/81/74/222018174.db2.gz UPYQRMCUHGYBPH-UHFFFAOYSA-N 1 2 353.470 2.619 40 0 FFABLO Cc1cncc(C(=O)N2CCc3[nH+]c(NC(C)C)nc(NC4CC4)c3C2)c1 ZINC000096254175 222101717 /nfs/dbraw/zinc/10/17/17/222101717.db2.gz RVFDWDBIHOURLF-UHFFFAOYSA-N 1 2 366.469 2.773 40 0 FFABLO COc1ccc(NC(=O)C[NH+]2CCC(NC(=O)C3CCCCC3)CC2)cc1 ZINC000004375332 506375084 /nfs/dbraw/zinc/37/50/84/506375084.db2.gz HCENSAYXQQCKRR-UHFFFAOYSA-N 1 2 373.497 2.795 40 0 FFABLO C[C@@H](CC(=O)N1Cc2ccccc2OC2(CCOCC2)C1)n1cc[nH+]c1 ZINC000012087309 506813495 /nfs/dbraw/zinc/81/34/95/506813495.db2.gz JHUOTVJYDBRWSO-INIZCTEOSA-N 1 2 355.438 2.805 40 0 FFABLO COc1cccc(C[N@@H+]2CCc3c(nc(N4CCCC[C@@H]4C)[nH]c3=O)C2)c1 ZINC000012184706 506828595 /nfs/dbraw/zinc/82/85/95/506828595.db2.gz VIRQGCUQQVZZNV-HNNXBMFYSA-N 1 2 368.481 2.716 40 0 FFABLO COc1cccc(C[N@H+]2CCc3c(nc(N4CCCC[C@@H]4C)[nH]c3=O)C2)c1 ZINC000012184706 506828601 /nfs/dbraw/zinc/82/86/01/506828601.db2.gz VIRQGCUQQVZZNV-HNNXBMFYSA-N 1 2 368.481 2.716 40 0 FFABLO COc1ccc(C[N@@H+](Cc2cnn(C)c2C)C[C@@H]2CCCO2)c(OC)c1 ZINC000012187183 506829819 /nfs/dbraw/zinc/82/98/19/506829819.db2.gz HQOFOJIXEFVTTB-IBGZPJMESA-N 1 2 359.470 2.927 40 0 FFABLO COc1ccc(C[N@H+](Cc2cnn(C)c2C)C[C@@H]2CCCO2)c(OC)c1 ZINC000012187183 506829821 /nfs/dbraw/zinc/82/98/21/506829821.db2.gz HQOFOJIXEFVTTB-IBGZPJMESA-N 1 2 359.470 2.927 40 0 FFABLO O[C@H]1CCC[N@H+](Cc2nc(-c3cccnc3OC3CCCCC3)no2)C1 ZINC000012365420 506855198 /nfs/dbraw/zinc/85/51/98/506855198.db2.gz OMXSQIWBKTYOJF-AWEZNQCLSA-N 1 2 358.442 2.800 40 0 FFABLO O[C@H]1CCC[N@@H+](Cc2nc(-c3cccnc3OC3CCCCC3)no2)C1 ZINC000012365420 506855208 /nfs/dbraw/zinc/85/52/08/506855208.db2.gz OMXSQIWBKTYOJF-AWEZNQCLSA-N 1 2 358.442 2.800 40 0 FFABLO C[C@@H]1CC(=O)c2c(nc(N3CC[NH+](C)CC3)nc2Nc2ccccc2)C1 ZINC000020801893 507235841 /nfs/dbraw/zinc/23/58/41/507235841.db2.gz LLGIDTSMTBJPRO-AWEZNQCLSA-N 1 2 351.454 2.737 40 0 FFABLO CCCc1ncc(C[N@@H+]2CCc3nc(-c4ccccn4)[nH]c(=O)c3C2)cn1 ZINC000072339915 507778517 /nfs/dbraw/zinc/77/85/17/507778517.db2.gz CRPOAZGIFMLPQK-UHFFFAOYSA-N 1 2 362.437 2.545 40 0 FFABLO CCCc1ncc(C[N@H+]2CCc3nc(-c4ccccn4)[nH]c(=O)c3C2)cn1 ZINC000072339915 507778520 /nfs/dbraw/zinc/77/85/20/507778520.db2.gz CRPOAZGIFMLPQK-UHFFFAOYSA-N 1 2 362.437 2.545 40 0 FFABLO O=C(Cc1ccc(F)cc1)N1CCC[C@@H](c2cncc(-n3cc[nH+]c3)n2)C1 ZINC000072355364 507779203 /nfs/dbraw/zinc/77/92/03/507779203.db2.gz OMZRLPRAOUGWHZ-MRXNPFEDSA-N 1 2 365.412 2.750 40 0 FFABLO CN(C)C(=O)C[N@@H+]1CCC[C@@H](c2nccnc2Oc2ccc(F)cc2)C1 ZINC000072362432 507780375 /nfs/dbraw/zinc/78/03/75/507780375.db2.gz YTWOPVOHNBTXMS-CQSZACIVSA-N 1 2 358.417 2.676 40 0 FFABLO CN(C)C(=O)C[N@H+]1CCC[C@@H](c2nccnc2Oc2ccc(F)cc2)C1 ZINC000072362432 507780376 /nfs/dbraw/zinc/78/03/76/507780376.db2.gz YTWOPVOHNBTXMS-CQSZACIVSA-N 1 2 358.417 2.676 40 0 FFABLO CC(=O)N1CCc2nnc([C@@H]3CCCC[N@@H+]3Cc3ccc(F)cc3)n2CC1 ZINC000072372792 507781291 /nfs/dbraw/zinc/78/12/91/507781291.db2.gz MJXYYOSELPTZPH-SFHVURJKSA-N 1 2 371.460 2.549 40 0 FFABLO CC(=O)N1CCc2nnc([C@@H]3CCCC[N@H+]3Cc3ccc(F)cc3)n2CC1 ZINC000072372792 507781292 /nfs/dbraw/zinc/78/12/92/507781292.db2.gz MJXYYOSELPTZPH-SFHVURJKSA-N 1 2 371.460 2.549 40 0 FFABLO O=C1C[C@H]([N@H+]2CCCC[C@@H]2CCO)C(=O)N1c1cccc(Cl)c1Cl ZINC000105330608 508370511 /nfs/dbraw/zinc/37/05/11/508370511.db2.gz YTUHUIHXPDQNLR-RISCZKNCSA-N 1 2 371.264 2.862 40 0 FFABLO O=C1C[C@H]([N@@H+]2CCCC[C@@H]2CCO)C(=O)N1c1cccc(Cl)c1Cl ZINC000105330608 508370514 /nfs/dbraw/zinc/37/05/14/508370514.db2.gz YTUHUIHXPDQNLR-RISCZKNCSA-N 1 2 371.264 2.862 40 0 FFABLO COc1cc(C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)cc(OC)c1OC ZINC000115994876 508461400 /nfs/dbraw/zinc/46/14/00/508461400.db2.gz JHEKMYRTNIJFHV-UHFFFAOYSA-N 1 2 367.405 2.828 40 0 FFABLO COc1cccc([C@@H]2Cn3c(C)c[nH+]c3CN2C(=O)c2ncoc2C)c1 ZINC000257254703 533759706 /nfs/dbraw/zinc/75/97/06/533759706.db2.gz KEHWUWQCFXKXLY-INIZCTEOSA-N 1 2 352.394 2.894 40 0 FFABLO CSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@@H]2c1cccs1 ZINC000261363092 509986678 /nfs/dbraw/zinc/98/66/78/509986678.db2.gz FZDXJJRHFMXJND-INIZCTEOSA-O 1 2 371.467 2.834 40 0 FFABLO OCCNc1nc(Nc2ccc(F)cc2Cl)cc(-c2ccccc2)[nH+]1 ZINC000328962608 511957617 /nfs/dbraw/zinc/95/76/17/511957617.db2.gz BKJASZMEQQFLGH-UHFFFAOYSA-N 1 2 358.804 2.928 40 0 FFABLO O=S1(=O)C[C@@H](O)[C@H]([N@H+](Cc2ccccc2)Cc2cccc(Cl)c2)C1 ZINC000575420968 518216298 /nfs/dbraw/zinc/21/62/98/518216298.db2.gz LMTYELNCIMTXDD-QZTJIDSGSA-N 1 2 365.882 2.500 40 0 FFABLO O=S1(=O)C[C@@H](O)[C@H]([N@@H+](Cc2ccccc2)Cc2cccc(Cl)c2)C1 ZINC000575420968 518216306 /nfs/dbraw/zinc/21/63/06/518216306.db2.gz LMTYELNCIMTXDD-QZTJIDSGSA-N 1 2 365.882 2.500 40 0 FFABLO Cc1ccc(C[NH+]2CC3(C2)CC[C@@H](CNC(=O)N2CCCC2)CO3)s1 ZINC000585105276 518540308 /nfs/dbraw/zinc/54/03/08/518540308.db2.gz SBIMMXUKRBVWPC-INIZCTEOSA-N 1 2 363.527 2.843 40 0 FFABLO Cn1cnc2c1[C@H](C(=O)NCc1cccs1)C[N@H+](Cc1cccs1)C2 ZINC000585110801 518542331 /nfs/dbraw/zinc/54/23/31/518542331.db2.gz IMXMZYXUGNXKMC-OAHLLOKOSA-N 1 2 372.519 2.959 40 0 FFABLO Cn1cnc2c1[C@H](C(=O)NCc1cccs1)C[N@@H+](Cc1cccs1)C2 ZINC000585110801 518542337 /nfs/dbraw/zinc/54/23/37/518542337.db2.gz IMXMZYXUGNXKMC-OAHLLOKOSA-N 1 2 372.519 2.959 40 0 FFABLO COC(=O)c1cccc(NC(=O)c2cccc(C[NH+]3CCOCC3)c2)c1C ZINC000216355130 522235900 /nfs/dbraw/zinc/23/59/00/522235900.db2.gz XDBIQDRRURBCDH-UHFFFAOYSA-N 1 2 368.433 2.866 40 0 FFABLO OCCCNc1nc(Nc2ccc(OC(F)F)cc2)cc(C2CC2)[nH+]1 ZINC000329041295 571132852 /nfs/dbraw/zinc/13/28/52/571132852.db2.gz SHUYLURXLMQUTN-UHFFFAOYSA-N 1 2 350.369 3.493 40 0 FFABLO CN(C)c1cc([C@H]2CCCN(C(=O)c3cnc(C4CC4)nc3)C2)cc[nH+]1 ZINC000257201466 529774143 /nfs/dbraw/zinc/77/41/43/529774143.db2.gz AHVALAUQTMVYJF-INIZCTEOSA-N 1 2 351.454 2.835 40 0 FFABLO CCn1cc(C[N@@H+]2CCO[C@H](c3cccc(-c4cncnc4)n3)C2)c(C)n1 ZINC000257210002 223019581 /nfs/dbraw/zinc/01/95/81/223019581.db2.gz BSSNVKSMAPLUOF-FQEVSTJZSA-N 1 2 364.453 2.637 40 0 FFABLO CCn1cc(C[N@H+]2CCO[C@H](c3cccc(-c4cncnc4)n3)C2)c(C)n1 ZINC000257210002 223019584 /nfs/dbraw/zinc/01/95/84/223019584.db2.gz BSSNVKSMAPLUOF-FQEVSTJZSA-N 1 2 364.453 2.637 40 0 FFABLO Cc1nc(Nc2cnccn2)cc([C@H]2CCCC[N@H+]2Cc2ccnn2C)n1 ZINC000257206711 223018464 /nfs/dbraw/zinc/01/84/64/223018464.db2.gz BEQMBUYQAZERBZ-QGZVFWFLSA-N 1 2 364.457 2.779 40 0 FFABLO Cc1nc(Nc2cnccn2)cc([C@H]2CCCC[N@@H+]2Cc2ccnn2C)n1 ZINC000257206711 223018467 /nfs/dbraw/zinc/01/84/67/223018467.db2.gz BEQMBUYQAZERBZ-QGZVFWFLSA-N 1 2 364.457 2.779 40 0 FFABLO O=C(Cn1cc[nH+]c1)N1CCC[C@H]1c1ncc(Cc2ccccc2F)o1 ZINC000257250571 223037711 /nfs/dbraw/zinc/03/77/11/223037711.db2.gz JNBPGOGFUCIVPZ-KRWDZBQOSA-N 1 2 354.385 2.965 40 0 FFABLO O=C(N[C@@H]1CCC[C@@H](n2cc[nH+]c2)[C@@H]1O)c1cc(C2CCCCC2)no1 ZINC000257270375 223045158 /nfs/dbraw/zinc/04/51/58/223045158.db2.gz MTYWMXPVUDOYHN-QGPMSJSTSA-N 1 2 358.442 2.803 40 0 FFABLO Cc1cccc(COC[C@H]2CN(C(=O)C3=CCCC3)Cc3c[nH+]cn32)n1 ZINC000306124046 223107487 /nfs/dbraw/zinc/10/74/87/223107487.db2.gz BECDEIHRKIVTKV-LJQANCHMSA-N 1 2 352.438 2.797 40 0 FFABLO CN(C)C(=O)NC[C@@H]1CN(Cc2ccc(Cl)c(F)c2)Cc2c[nH+]cn21 ZINC000306135998 223111001 /nfs/dbraw/zinc/11/10/01/223111001.db2.gz PGFMHXPSSDAGDN-CQSZACIVSA-N 1 2 365.840 2.504 40 0 FFABLO CC(C)(C)NC(=O)C[N@@H+]1CCC[C@H](n2c(=O)oc3ccc(Cl)cc32)C1 ZINC000019083063 220236054 /nfs/dbraw/zinc/23/60/54/220236054.db2.gz IAKVKDHVVJVOBM-ZDUSSCGKSA-N 1 2 365.861 2.800 40 0 FFABLO CC(C)(C)NC(=O)C[N@H+]1CCC[C@H](n2c(=O)oc3ccc(Cl)cc32)C1 ZINC000019083063 220236055 /nfs/dbraw/zinc/23/60/55/220236055.db2.gz IAKVKDHVVJVOBM-ZDUSSCGKSA-N 1 2 365.861 2.800 40 0 FFABLO O=c1[nH]c(-c2ccccn2)nc2c1C[N@H+](Cc1c(F)cccc1F)CC2 ZINC000019403155 220256269 /nfs/dbraw/zinc/25/62/69/220256269.db2.gz FYRKDEFEIFEBNE-UHFFFAOYSA-N 1 2 354.360 2.668 40 0 FFABLO O=c1[nH]c(-c2ccccn2)nc2c1C[N@@H+](Cc1c(F)cccc1F)CC2 ZINC000019403155 220256274 /nfs/dbraw/zinc/25/62/74/220256274.db2.gz FYRKDEFEIFEBNE-UHFFFAOYSA-N 1 2 354.360 2.668 40 0 FFABLO CCn1c2ccccc2[nH+]c1N1CCC[C@H](C(=O)NCc2ccncc2)C1 ZINC000019524413 220265953 /nfs/dbraw/zinc/26/59/53/220265953.db2.gz SNXGGSNUSJCAMO-KRWDZBQOSA-N 1 2 363.465 2.984 40 0 FFABLO CC[NH+]1CCN(C(=O)[C@H]2[C@@H]3CC[C@@]4(CC(=O)c5cc(C)ccc5O4)[C@@H]32)CC1 ZINC000019527784 220267927 /nfs/dbraw/zinc/26/79/27/220267927.db2.gz BJTBWWZJRLSGBL-WWMNNVMHSA-N 1 2 368.477 2.519 40 0 FFABLO CNc1cc([C@H]2CCC[N@H+](Cc3ccccc3OCC(=O)[O-])C2)cc[nH+]1 ZINC000257292567 533055234 /nfs/dbraw/zinc/05/52/34/533055234.db2.gz QMDDYLFNTFPIFK-INIZCTEOSA-N 1 2 355.438 2.966 40 0 FFABLO CNc1cc([C@H]2CCC[N@@H+](Cc3ccccc3OCC(=O)[O-])C2)cc[nH+]1 ZINC000257292567 533055239 /nfs/dbraw/zinc/05/52/39/533055239.db2.gz QMDDYLFNTFPIFK-INIZCTEOSA-N 1 2 355.438 2.966 40 0 FFABLO COc1cccc(OC[C@H]2CCC[N@H+](CC(=O)Nc3nccs3)C2)c1 ZINC000019657773 220283200 /nfs/dbraw/zinc/28/32/00/220283200.db2.gz NYJCXWONZFNYTH-AWEZNQCLSA-N 1 2 361.467 2.881 40 0 FFABLO COc1cccc(OC[C@H]2CCC[N@@H+](CC(=O)Nc3nccs3)C2)c1 ZINC000019657773 220283206 /nfs/dbraw/zinc/28/32/06/220283206.db2.gz NYJCXWONZFNYTH-AWEZNQCLSA-N 1 2 361.467 2.881 40 0 FFABLO COCCc1ncc(C[NH+]2CCN(c3nc4ccccc4s3)CC2)cn1 ZINC000019658670 220283327 /nfs/dbraw/zinc/28/33/27/220283327.db2.gz OQZFXKPIYYZRTE-UHFFFAOYSA-N 1 2 369.494 2.597 40 0 FFABLO FC1(F)CC[N@H+](Cc2nccs2)C[C@@]12CCN(c1cnccn1)C2 ZINC000096051180 222001811 /nfs/dbraw/zinc/00/18/11/222001811.db2.gz MLQIIUJRQYCYMN-OAHLLOKOSA-N 1 2 351.426 2.671 40 0 FFABLO FC1(F)CC[N@@H+](Cc2nccs2)C[C@@]12CCN(c1cnccn1)C2 ZINC000096051180 222001816 /nfs/dbraw/zinc/00/18/16/222001816.db2.gz MLQIIUJRQYCYMN-OAHLLOKOSA-N 1 2 351.426 2.671 40 0 FFABLO CC[N@@H+]1CCn2c(C)cnc2C12CCN(C(=O)NCc1ccccc1)CC2 ZINC000096145020 222046835 /nfs/dbraw/zinc/04/68/35/222046835.db2.gz HEUVDJKQNICNFG-UHFFFAOYSA-N 1 2 367.497 2.728 40 0 FFABLO CC[N@H+]1CCn2c(C)cnc2C12CCN(C(=O)NCc1ccccc1)CC2 ZINC000096145020 222046839 /nfs/dbraw/zinc/04/68/39/222046839.db2.gz HEUVDJKQNICNFG-UHFFFAOYSA-N 1 2 367.497 2.728 40 0 FFABLO CCN1CCn2c(C)c[nH+]c2C12CCN(C(=O)NCc1ccccc1)CC2 ZINC000096145020 222046841 /nfs/dbraw/zinc/04/68/41/222046841.db2.gz HEUVDJKQNICNFG-UHFFFAOYSA-N 1 2 367.497 2.728 40 0 FFABLO Cc1nc(CN2Cc3c[nH+]cn3C[C@H](COc3ccccn3)C2)cs1 ZINC000096208011 222078704 /nfs/dbraw/zinc/07/87/04/222078704.db2.gz PHBCXYQVQSPNLI-OAHLLOKOSA-N 1 2 355.467 2.754 40 0 FFABLO O=C(C[NH+]1CCC(NC(=O)C2CCCCC2)CC1)Nc1cccc(F)c1 ZINC000004909856 506404258 /nfs/dbraw/zinc/40/42/58/506404258.db2.gz WLZBWWCMYMWLDP-UHFFFAOYSA-N 1 2 361.461 2.925 40 0 FFABLO CC[NH+]1CCN(c2ncc3c(n2)C[C@H](c2cc(F)cc(F)c2)CC3=O)CC1 ZINC000009287275 506687067 /nfs/dbraw/zinc/68/70/67/506687067.db2.gz GOWFHBWVJSWTAT-AWEZNQCLSA-N 1 2 372.419 2.809 40 0 FFABLO CCc1[nH]c2ccc(NC(=O)Cn3cnc4sc(C)cc4c3=O)cc2[nH+]1 ZINC000012116922 506816902 /nfs/dbraw/zinc/81/69/02/506816902.db2.gz GMOVJBOBFWNMMP-UHFFFAOYSA-N 1 2 367.434 2.844 40 0 FFABLO Fc1cccc(C[N@H+]2[C@@H]3CC[C@H]2Cc2nc(N4CCOCC4)ncc23)c1F ZINC000019292686 507165215 /nfs/dbraw/zinc/16/52/15/507165215.db2.gz SILHLOLUMJITGK-KBXCAEBGSA-N 1 2 372.419 2.853 40 0 FFABLO Fc1cccc(C[N@@H+]2[C@@H]3CC[C@H]2Cc2nc(N4CCOCC4)ncc23)c1F ZINC000019292686 507165221 /nfs/dbraw/zinc/16/52/21/507165221.db2.gz SILHLOLUMJITGK-KBXCAEBGSA-N 1 2 372.419 2.853 40 0 FFABLO CC1CCN(c2nc3c(c(=O)[nH]2)CC[N@H+](Cc2ccccc2F)C3)CC1 ZINC000019496966 507172503 /nfs/dbraw/zinc/17/25/03/507172503.db2.gz WZHLEKWNVIGUEV-UHFFFAOYSA-N 1 2 356.445 2.704 40 0 FFABLO CC1CCN(c2nc3c(c(=O)[nH]2)CC[N@@H+](Cc2ccccc2F)C3)CC1 ZINC000019496966 507172508 /nfs/dbraw/zinc/17/25/08/507172508.db2.gz WZHLEKWNVIGUEV-UHFFFAOYSA-N 1 2 356.445 2.704 40 0 FFABLO C[C@H](Oc1cccc(F)c1)C(=O)N1CCC(c2cc(C[NH+](C)C)[nH]n2)CC1 ZINC000019708931 507192215 /nfs/dbraw/zinc/19/22/15/507192215.db2.gz GFZYJNPKXDEIIL-AWEZNQCLSA-N 1 2 374.460 2.784 40 0 FFABLO CCc1[nH+]ccn1-c1cccc(C2CCN(C(=O)c3cnn(C)c3)CC2)n1 ZINC000072378812 507781376 /nfs/dbraw/zinc/78/13/76/507781376.db2.gz SDIDEMXAAWCYRD-UHFFFAOYSA-N 1 2 364.453 2.583 40 0 FFABLO C[C@@H]1Cc2cc(S(=O)(=O)N3CC[NH+](Cc4ccccc4)CC3)ccc2N1 ZINC000078404045 507868789 /nfs/dbraw/zinc/86/87/89/507868789.db2.gz DJPPAMBXESVCBZ-MRXNPFEDSA-N 1 2 371.506 2.550 40 0 FFABLO CCOc1cc([C@@H]([NH3+])c2nc(CNc3ccccc3)n[nH]2)ccc1OC ZINC000095534397 508198044 /nfs/dbraw/zinc/19/80/44/508198044.db2.gz ZAVNJLYZXUOWMJ-GOSISDBHSA-N 1 2 353.426 2.872 40 0 FFABLO CCOc1cc([C@@H]([NH3+])c2nnc(CNc3ccccc3)[nH]2)ccc1OC ZINC000095534397 508198047 /nfs/dbraw/zinc/19/80/47/508198047.db2.gz ZAVNJLYZXUOWMJ-GOSISDBHSA-N 1 2 353.426 2.872 40 0 FFABLO CCOc1cc([C@@H]([NH3+])c2n[nH]c(CNc3ccccc3)n2)ccc1OC ZINC000095534397 508198051 /nfs/dbraw/zinc/19/80/51/508198051.db2.gz ZAVNJLYZXUOWMJ-GOSISDBHSA-N 1 2 353.426 2.872 40 0 FFABLO COc1ccccc1C[NH+]1CC2(C1)OCC[C@@H]2CCNc1ncc(C)cn1 ZINC000253600532 509901560 /nfs/dbraw/zinc/90/15/60/509901560.db2.gz RAXZAOJKBDEQLE-SFHVURJKSA-N 1 2 368.481 2.887 40 0 FFABLO O=C(NCC[C@H]1CCOC12C[NH+](Cc1ccccc1F)C2)c1cccnc1 ZINC000247493762 510863030 /nfs/dbraw/zinc/86/30/30/510863030.db2.gz NOFRMHNHKJNZIN-SFHVURJKSA-N 1 2 369.440 2.632 40 0 FFABLO O=C(NC1CCCC1)[C@@H]1C[N@H+](CCOCc2ccccc2)Cc2ccnn21 ZINC000247726701 510869079 /nfs/dbraw/zinc/86/90/79/510869079.db2.gz DWYCDLPGCWGTFY-FQEVSTJZSA-N 1 2 368.481 2.515 40 0 FFABLO O=C(NC1CCCC1)[C@@H]1C[N@@H+](CCOCc2ccccc2)Cc2ccnn21 ZINC000247726701 510869080 /nfs/dbraw/zinc/86/90/80/510869080.db2.gz DWYCDLPGCWGTFY-FQEVSTJZSA-N 1 2 368.481 2.515 40 0 FFABLO Cc1cccc(C[NH+]2CC3(C2)OCC[C@H]3CCOc2ncccc2F)n1 ZINC000247862167 510871523 /nfs/dbraw/zinc/87/15/23/510871523.db2.gz GLXWEOJHLJSGCZ-MRXNPFEDSA-N 1 2 357.429 2.984 40 0 FFABLO O=S1(=O)C[C@H]([N@H+](Cc2ccccc2)Cc2cccc(Cl)c2)[C@H](O)C1 ZINC000575420970 518215633 /nfs/dbraw/zinc/21/56/33/518215633.db2.gz LMTYELNCIMTXDD-ZWKOTPCHSA-N 1 2 365.882 2.500 40 0 FFABLO O=S1(=O)C[C@H]([N@@H+](Cc2ccccc2)Cc2cccc(Cl)c2)[C@H](O)C1 ZINC000575420970 518215639 /nfs/dbraw/zinc/21/56/39/518215639.db2.gz LMTYELNCIMTXDD-ZWKOTPCHSA-N 1 2 365.882 2.500 40 0 FFABLO O=C(NCC[C@@H]1C[N@H+](Cc2ccsc2)Cc2ccnn21)N1CCCC1 ZINC000585112238 518543795 /nfs/dbraw/zinc/54/37/95/518543795.db2.gz LQJCWUJKIFWXAO-MRXNPFEDSA-N 1 2 359.499 2.697 40 0 FFABLO O=C(NCC[C@@H]1C[N@@H+](Cc2ccsc2)Cc2ccnn21)N1CCCC1 ZINC000585112238 518543798 /nfs/dbraw/zinc/54/37/98/518543798.db2.gz LQJCWUJKIFWXAO-MRXNPFEDSA-N 1 2 359.499 2.697 40 0 FFABLO CO[C@H]1CCN(C(=O)CCCn2cc[nH+]c2)C[C@H]1Cc1cccc(F)c1 ZINC000585277446 518552652 /nfs/dbraw/zinc/55/26/52/518552652.db2.gz UURCPJWQMXDAJP-MJGOQNOKSA-N 1 2 359.445 2.909 40 0 FFABLO CNc1nc(NC[C@H]2CCCO2)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000329066277 529832979 /nfs/dbraw/zinc/83/29/79/529832979.db2.gz XYSJUEFLCIVBLJ-CYBMUJFWSA-N 1 2 368.359 2.519 40 0 FFABLO CNc1nc(Nc2ccccc2I)cc(C2CC2)[nH+]1 ZINC000328993046 529833985 /nfs/dbraw/zinc/83/39/85/529833985.db2.gz IYCMXLNVBDDXAK-UHFFFAOYSA-N 1 2 366.206 2.588 40 0 FFABLO Cn1cc[nH+]c1CN1CCC[C@H]1c1cccc(C(=O)Nc2nccs2)n1 ZINC000257221370 223026726 /nfs/dbraw/zinc/02/67/26/223026726.db2.gz DOTJBXLOZQXIIX-HNNXBMFYSA-N 1 2 368.466 2.861 40 0 FFABLO Cc1noc(C)c1-c1cc(C)nc([C@@H]2CCCC[N@H+]2CC(=O)N(C)C)n1 ZINC000257237545 223032345 /nfs/dbraw/zinc/03/23/45/223032345.db2.gz HHABUVXMBZOOKU-INIZCTEOSA-N 1 2 357.458 2.672 40 0 FFABLO Cc1noc(C)c1-c1cc(C)nc([C@@H]2CCCC[N@@H+]2CC(=O)N(C)C)n1 ZINC000257237545 223032347 /nfs/dbraw/zinc/03/23/47/223032347.db2.gz HHABUVXMBZOOKU-INIZCTEOSA-N 1 2 357.458 2.672 40 0 FFABLO Cc1nc(Nc2cnccn2)cc([C@@H]2CCCC[N@H+]2Cc2cnn(C)c2)n1 ZINC000257312679 223062241 /nfs/dbraw/zinc/06/22/41/223062241.db2.gz UPBUGJBPJITPIM-KRWDZBQOSA-N 1 2 364.457 2.779 40 0 FFABLO Cc1nc(Nc2cnccn2)cc([C@@H]2CCCC[N@@H+]2Cc2cnn(C)c2)n1 ZINC000257312679 223062243 /nfs/dbraw/zinc/06/22/43/223062243.db2.gz UPBUGJBPJITPIM-KRWDZBQOSA-N 1 2 364.457 2.779 40 0 FFABLO O=C([O-])c1ccccc1C[N@@H+]1CCC[C@@H](c2cncc(-n3cc[nH+]c3)n2)C1 ZINC000257334103 223069907 /nfs/dbraw/zinc/06/99/07/223069907.db2.gz YEOGDZYHDBTOLW-MRXNPFEDSA-N 1 2 363.421 2.740 40 0 FFABLO O=C([O-])c1ccccc1C[N@H+]1CCC[C@@H](c2cncc(-n3cc[nH+]c3)n2)C1 ZINC000257334103 223069910 /nfs/dbraw/zinc/06/99/10/223069910.db2.gz YEOGDZYHDBTOLW-MRXNPFEDSA-N 1 2 363.421 2.740 40 0 FFABLO CN(C)C(=O)NC[C@H]1CN(Cc2ccc(Cl)c(F)c2)Cc2c[nH+]cn21 ZINC000306135997 223111547 /nfs/dbraw/zinc/11/15/47/223111547.db2.gz PGFMHXPSSDAGDN-AWEZNQCLSA-N 1 2 365.840 2.504 40 0 FFABLO CC(C)(C)c1ccc(C(=O)NCc2ccccc2-n2cc[nH+]c2)c(=O)[nH]1 ZINC000019084404 220236360 /nfs/dbraw/zinc/23/63/60/220236360.db2.gz MBUNZLWJXOHHHK-UHFFFAOYSA-N 1 2 350.422 2.788 40 0 FFABLO CNc1cc([C@@H]2CCCN2S(=O)(=O)c2ccc(F)c(F)c2)cc[nH+]1 ZINC000257214677 533054571 /nfs/dbraw/zinc/05/45/71/533054571.db2.gz CNADYFKMEBAIOD-HNNXBMFYSA-N 1 2 353.394 2.927 40 0 FFABLO CCOC(=O)c1n[nH]cc1-c1c[nH+]cn1CCn1nc(C)c(Cl)c1C ZINC000019719688 220291265 /nfs/dbraw/zinc/29/12/65/220291265.db2.gz FOABBDODCDKLQQ-UHFFFAOYSA-N 1 2 362.821 2.617 40 0 FFABLO C[C@H]1C[C@@H](NC(=O)N2CCN(c3cc(F)ccc3F)CC2)c2[nH+]ccn21 ZINC000333053058 258246915 /nfs/dbraw/zinc/24/69/15/258246915.db2.gz BWWDGSRWLDPPNB-SWLSCSKDSA-N 1 2 361.396 2.699 40 0 FFABLO C[C@@H](CO)Nc1cc(N2CCc3cc(OC(F)(F)F)ccc3C2)nc[nH+]1 ZINC000328973183 132372204 /nfs/dbraw/zinc/37/22/04/132372204.db2.gz FACIZMOBUGGEQP-NSHDSACASA-N 1 2 368.359 2.731 40 0 FFABLO C[C@@H](CO)Nc1cc(N2CCc3cc(OC(F)(F)F)ccc3C2)[nH+]cn1 ZINC000328973183 132372205 /nfs/dbraw/zinc/37/22/05/132372205.db2.gz FACIZMOBUGGEQP-NSHDSACASA-N 1 2 368.359 2.731 40 0 FFABLO CC[C@H](c1nnnn1Cc1ccccc1)[NH+]1CCN(c2ccccc2)CC1 ZINC000057653842 136129667 /nfs/dbraw/zinc/12/96/67/136129667.db2.gz CGWTXWPGFTZGBW-HXUWFJFHSA-N 1 2 362.481 2.995 40 0 FFABLO COc1ccccc1C[N@@H+]1C[C@@H](F)[C@@H](OCc2nc3cc[nH]cc-3n2)C1 ZINC000096112121 222029554 /nfs/dbraw/zinc/02/95/54/222029554.db2.gz TZBNMUXUIASPAN-KDOFPFPSSA-N 1 2 356.401 2.706 40 0 biogenic,in-vitro FFABLO COc1ccccc1C[N@H+]1C[C@@H](F)[C@@H](OCc2nc3cc[nH]cc-3n2)C1 ZINC000096112121 222029558 /nfs/dbraw/zinc/02/95/58/222029558.db2.gz TZBNMUXUIASPAN-KDOFPFPSSA-N 1 2 356.401 2.706 40 0 biogenic,in-vitro FFABLO CCc1cccc(NC(=O)N2Cc3c(Cn4cc[nH+]c4)nn(C)c3C2)c1 ZINC000096084495 222018628 /nfs/dbraw/zinc/01/86/28/222018628.db2.gz QPJWGQNWAKQRTL-UHFFFAOYSA-N 1 2 350.426 2.775 40 0 FFABLO CC(C)n1cnc2c1[C@@H](C(=O)NCCc1ccccn1)[N@@H+](C(C)C)CC2 ZINC000096265000 222105853 /nfs/dbraw/zinc/10/58/53/222105853.db2.gz AKEMYQGKLQYGLX-IBGZPJMESA-N 1 2 355.486 2.526 40 0 FFABLO CC(C)n1cnc2c1[C@@H](C(=O)NCCc1ccccn1)[N@H+](C(C)C)CC2 ZINC000096265000 222105856 /nfs/dbraw/zinc/10/58/56/222105856.db2.gz AKEMYQGKLQYGLX-IBGZPJMESA-N 1 2 355.486 2.526 40 0 FFABLO S=C(Oc1ccc2nccnc2c1)N1CCN(c2cccc[nH+]2)CC1 ZINC000033667409 506361609 /nfs/dbraw/zinc/36/16/09/506361609.db2.gz XDESWXGNEWDRPB-UHFFFAOYSA-N 1 2 351.435 2.511 40 0 FFABLO CCCc1ncc(C[N@@H+]2CCc3nc(-c4ccncc4)[nH]c(=O)c3C2)cn1 ZINC000012121942 506819468 /nfs/dbraw/zinc/81/94/68/506819468.db2.gz NFHDUIGHXAFVEF-UHFFFAOYSA-N 1 2 362.437 2.545 40 0 FFABLO CCCc1ncc(C[N@H+]2CCc3nc(-c4ccncc4)[nH]c(=O)c3C2)cn1 ZINC000012121942 506819474 /nfs/dbraw/zinc/81/94/74/506819474.db2.gz NFHDUIGHXAFVEF-UHFFFAOYSA-N 1 2 362.437 2.545 40 0 FFABLO COc1cccc(CCCNC(=O)c2ccc(C[NH+]3CCOCC3)cc2)c1 ZINC000044906913 506900819 /nfs/dbraw/zinc/90/08/19/506900819.db2.gz ZOXJXGVXYMCIPO-UHFFFAOYSA-N 1 2 368.477 2.890 40 0 FFABLO CC[C@@H](C)NC(=O)C[N@@H+]1CCC[C@@H](n2c(=O)oc3ccc(Cl)cc32)C1 ZINC000019499967 507175552 /nfs/dbraw/zinc/17/55/52/507175552.db2.gz YEIZWHGFDJNFSV-TZMCWYRMSA-N 1 2 365.861 2.800 40 0 FFABLO CC[C@@H](C)NC(=O)C[N@H+]1CCC[C@@H](n2c(=O)oc3ccc(Cl)cc32)C1 ZINC000019499967 507175556 /nfs/dbraw/zinc/17/55/56/507175556.db2.gz YEIZWHGFDJNFSV-TZMCWYRMSA-N 1 2 365.861 2.800 40 0 FFABLO CCOC(=O)N1CC[NH+](C[C@@H](O)COC2CCC(C(C)(C)C)CC2)CC1 ZINC000023586870 507361077 /nfs/dbraw/zinc/36/10/77/507361077.db2.gz MVHXDCKVSPFTDX-LXPRWKDFSA-N 1 2 370.534 2.743 40 0 FFABLO Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)Cc2ccc(Cl)cc2)CC1 ZINC000027927798 507693841 /nfs/dbraw/zinc/69/38/41/507693841.db2.gz ZKPZRFYKKNCEJW-UHFFFAOYSA-N 1 2 360.889 2.577 40 0 FFABLO CCOc1cc([C@H]([NH3+])c2nnc(-c3ccc(OC)cc3)[nH]2)ccc1OC ZINC000095534368 508198131 /nfs/dbraw/zinc/19/81/31/508198131.db2.gz SBPLZPMBWMJCCI-KRWDZBQOSA-N 1 2 354.410 2.936 40 0 FFABLO CCOc1cc([C@H]([NH3+])c2nc(-c3ccc(OC)cc3)n[nH]2)ccc1OC ZINC000095534368 508198133 /nfs/dbraw/zinc/19/81/33/508198133.db2.gz SBPLZPMBWMJCCI-KRWDZBQOSA-N 1 2 354.410 2.936 40 0 FFABLO Cc1ccc(-c2cnc3n2CC[N@@H+](C)C32CCN(C(=O)N(C)C)CC2)cc1 ZINC000096037095 508203108 /nfs/dbraw/zinc/20/31/08/508203108.db2.gz RHPQVYVZHCKJKI-UHFFFAOYSA-N 1 2 367.497 2.777 40 0 FFABLO Cc1ccc(-c2cnc3n2CC[N@H+](C)C32CCN(C(=O)N(C)C)CC2)cc1 ZINC000096037095 508203111 /nfs/dbraw/zinc/20/31/11/508203111.db2.gz RHPQVYVZHCKJKI-UHFFFAOYSA-N 1 2 367.497 2.777 40 0 FFABLO COc1ccc(C(=O)N2CC3(C2)OCC[C@@H]3CCNc2cccc[nH+]2)cc1 ZINC000248153564 509250052 /nfs/dbraw/zinc/25/00/52/509250052.db2.gz XXEORARHGGYXFL-KRWDZBQOSA-N 1 2 367.449 2.824 40 0 FFABLO C[C@H](Oc1ccccc1)C(=O)Nc1c[nH+]c(N2CCCC2)nc1N(C)C ZINC000224352988 509357936 /nfs/dbraw/zinc/35/79/36/509357936.db2.gz YFBYBCUCNUQPTC-AWEZNQCLSA-N 1 2 355.442 2.549 40 0 FFABLO COC1(C(=O)Nc2ccc(OCC[NH+]3CCOCC3)cc2)CCCCC1 ZINC000225628299 509380466 /nfs/dbraw/zinc/38/04/66/509380466.db2.gz CSKRQGUCKLNCTG-UHFFFAOYSA-N 1 2 362.470 2.685 40 0 FFABLO COCCN1Cc2c(-c3ccccc3)[nH+]c(N)n2N(Cc2ccccc2)C1 ZINC000226074345 509394864 /nfs/dbraw/zinc/39/48/64/509394864.db2.gz NHPOWBCBSXJMCO-UHFFFAOYSA-N 1 2 363.465 2.690 40 0 FFABLO COc1ccc([C@@H](NC(=O)[C@H]2CC[C@H](OC)CC2)c2[nH+]ccn2C)cc1 ZINC000257267231 509968200 /nfs/dbraw/zinc/96/82/00/509968200.db2.gz MGMACNUFPZMVRQ-KBAYOESNSA-N 1 2 357.454 2.840 40 0 FFABLO CSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@H]2c1cccs1 ZINC000261363093 509986014 /nfs/dbraw/zinc/98/60/14/509986014.db2.gz FZDXJJRHFMXJND-MRXNPFEDSA-O 1 2 371.467 2.834 40 0 FFABLO COc1cc(C)c(S(=O)(=O)NCCCn2cc[nH+]c2)cc1C(C)C ZINC000193760263 510053650 /nfs/dbraw/zinc/05/36/50/510053650.db2.gz KANRPPOHRJDPHX-UHFFFAOYSA-N 1 2 351.472 2.692 40 0 FFABLO O=C(Cc1cccs1)N1Cc2c[nH+]cn2[C@H](COc2ncccc2F)C1 ZINC000247871000 510871861 /nfs/dbraw/zinc/87/18/61/510871861.db2.gz QSGCCUFZEFAKCG-AWEZNQCLSA-N 1 2 372.425 2.684 40 0 FFABLO C[C@@H]1c2ncc(CCOc3cc[nH+]cc3)n2CCN1C(=O)c1ccco1 ZINC000585098712 518534773 /nfs/dbraw/zinc/53/47/73/518534773.db2.gz XTXAAGBWILHXHP-CQSZACIVSA-N 1 2 352.394 2.710 40 0 FFABLO CC(C)CN1C[C@@]2(CC1=O)COCC[N@H+](Cc1cc(F)ccc1F)C2 ZINC000585104213 518538588 /nfs/dbraw/zinc/53/85/88/518538588.db2.gz KYWPTFJPOWHADR-IBGZPJMESA-N 1 2 352.425 2.672 40 0 FFABLO CC(C)CN1C[C@@]2(CC1=O)COCC[N@@H+](Cc1cc(F)ccc1F)C2 ZINC000585104213 518538592 /nfs/dbraw/zinc/53/85/92/518538592.db2.gz KYWPTFJPOWHADR-IBGZPJMESA-N 1 2 352.425 2.672 40 0 FFABLO O=C(NCC[C@@H]1C[N@H+](Cc2ccccc2)Cc2ccnn21)c1cscn1 ZINC000585112350 518544105 /nfs/dbraw/zinc/54/41/05/518544105.db2.gz NTBAHFXUHHRSMS-MRXNPFEDSA-N 1 2 367.478 2.717 40 0 FFABLO O=C(NCC[C@@H]1C[N@@H+](Cc2ccccc2)Cc2ccnn21)c1cscn1 ZINC000585112350 518544114 /nfs/dbraw/zinc/54/41/14/518544114.db2.gz NTBAHFXUHHRSMS-MRXNPFEDSA-N 1 2 367.478 2.717 40 0 FFABLO Cc1[nH+]cc(-c2nccnc2C2CCN(C(=O)c3cncs3)CC2)n1C ZINC000257204555 534722171 /nfs/dbraw/zinc/72/21/71/534722171.db2.gz AVDOJVUBVUQTFL-UHFFFAOYSA-N 1 2 368.466 2.662 40 0 FFABLO O=C(c1ccccc1)N1CCC[C@@]2(C[N@H+](Cc3cccnc3)CCO2)CC1 ZINC000306140679 534744105 /nfs/dbraw/zinc/74/41/05/534744105.db2.gz VAMLHZSZEZZHAE-QFIPXVFZSA-N 1 2 365.477 2.979 40 0 FFABLO O=C(c1ccccc1)N1CCC[C@@]2(C[N@@H+](Cc3cccnc3)CCO2)CC1 ZINC000306140679 534744111 /nfs/dbraw/zinc/74/41/11/534744111.db2.gz VAMLHZSZEZZHAE-QFIPXVFZSA-N 1 2 365.477 2.979 40 0 FFABLO S=C(N[C@H]1C[C@H]2CC[C@@H]1C2)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000020493957 526385213 /nfs/dbraw/zinc/38/52/13/526385213.db2.gz DSTYRSYHTVOIEM-UAGQMJEPSA-N 1 2 373.522 2.596 40 0 FFABLO c1ccc(CCNc2cc(-c3ccncc3)[nH+]c(NC3CCCC3)n2)nc1 ZINC000329024470 526465631 /nfs/dbraw/zinc/46/56/31/526465631.db2.gz PABPBIKJSKPNIT-UHFFFAOYSA-N 1 2 360.465 2.787 40 0 FFABLO O=C(NCc1cc[nH+]c(N2CCCCC2)c1)N[C@@H]1COc2ccccc2C1 ZINC000193129559 571150720 /nfs/dbraw/zinc/15/07/20/571150720.db2.gz XPHQASPOGDZWHG-SFHVURJKSA-N 1 2 366.465 2.875 40 0 FFABLO Cc1cc(C)nc(Nc2cc(C)nc([C@@H]3CC[N@H+](Cc4ncc[nH]4)C3)n2)n1 ZINC000072382598 571188430 /nfs/dbraw/zinc/18/84/30/571188430.db2.gz WFDACWIERGRHSV-OAHLLOKOSA-N 1 2 364.457 2.648 40 0 FFABLO Cc1cc(C)nc(Nc2cc(C)nc([C@@H]3CC[N@@H+](Cc4ncc[nH]4)C3)n2)n1 ZINC000072382598 571188431 /nfs/dbraw/zinc/18/84/31/571188431.db2.gz WFDACWIERGRHSV-OAHLLOKOSA-N 1 2 364.457 2.648 40 0 FFABLO Cc1cccc(Nc2cc([C@H]3CCCC[N@H+]3CC(=O)N(C)C)nc(C)n2)n1 ZINC000072382734 571188619 /nfs/dbraw/zinc/18/86/19/571188619.db2.gz RRDCARJMUZBUDF-QGZVFWFLSA-N 1 2 368.485 2.847 40 0 FFABLO Cc1cccc(Nc2cc([C@H]3CCCC[N@@H+]3CC(=O)N(C)C)nc(C)n2)n1 ZINC000072382734 571188621 /nfs/dbraw/zinc/18/86/21/571188621.db2.gz RRDCARJMUZBUDF-QGZVFWFLSA-N 1 2 368.485 2.847 40 0 FFABLO Cn1ccnc1C[N@@H+]1CCC[C@@H](c2cncc(Oc3cccnc3)n2)C1 ZINC000072384197 571189006 /nfs/dbraw/zinc/18/90/06/571189006.db2.gz CFGOENILNGVTKZ-OAHLLOKOSA-N 1 2 350.426 2.777 40 0 FFABLO Cn1ccnc1C[N@H+]1CCC[C@@H](c2cncc(Oc3cccnc3)n2)C1 ZINC000072384197 571189008 /nfs/dbraw/zinc/18/90/08/571189008.db2.gz CFGOENILNGVTKZ-OAHLLOKOSA-N 1 2 350.426 2.777 40 0 FFABLO CCOC[C@@H]1Cc2c([nH+]cn2C)CN1C(=O)c1cn(C)c2ccccc12 ZINC000585094549 571219466 /nfs/dbraw/zinc/21/94/66/571219466.db2.gz ARYZKZVCRJTRPT-AWEZNQCLSA-N 1 2 352.438 2.515 40 0 FFABLO Cc1ncc(C[N@@H+]2CCO[C@H](c3ccc(Nc4ncccn4)cn3)C2)s1 ZINC000257222909 223026320 /nfs/dbraw/zinc/02/63/20/223026320.db2.gz DVCWDXZMVAZHFA-KRWDZBQOSA-N 1 2 368.466 2.954 40 0 FFABLO Cc1ncc(C[N@H+]2CCO[C@H](c3ccc(Nc4ncccn4)cn3)C2)s1 ZINC000257222909 223026323 /nfs/dbraw/zinc/02/63/23/223026323.db2.gz DVCWDXZMVAZHFA-KRWDZBQOSA-N 1 2 368.466 2.954 40 0 FFABLO Cc1noc(C)c1-c1cc(C)nc([C@H]2CCCC[N@H+]2CC(=O)N(C)C)n1 ZINC000257237546 223031694 /nfs/dbraw/zinc/03/16/94/223031694.db2.gz HHABUVXMBZOOKU-MRXNPFEDSA-N 1 2 357.458 2.672 40 0 FFABLO Cc1noc(C)c1-c1cc(C)nc([C@H]2CCCC[N@@H+]2CC(=O)N(C)C)n1 ZINC000257237546 223031697 /nfs/dbraw/zinc/03/16/97/223031697.db2.gz HHABUVXMBZOOKU-MRXNPFEDSA-N 1 2 357.458 2.672 40 0 FFABLO Cn1nccc1C[N@@H+]1CCC[C@H]1c1cccc(C(=O)Nc2nccs2)n1 ZINC000257254259 223039063 /nfs/dbraw/zinc/03/90/63/223039063.db2.gz KCIZOCIYYGFLBG-INIZCTEOSA-N 1 2 368.466 2.861 40 0 FFABLO Cn1nccc1C[N@H+]1CCC[C@H]1c1cccc(C(=O)Nc2nccs2)n1 ZINC000257254259 223039064 /nfs/dbraw/zinc/03/90/64/223039064.db2.gz KCIZOCIYYGFLBG-INIZCTEOSA-N 1 2 368.466 2.861 40 0 FFABLO Cc1cc(C)nc(Nc2nccnc2[C@@H]2CCCN2Cc2[nH]cc[nH+]2)n1 ZINC000257286036 223050974 /nfs/dbraw/zinc/05/09/74/223050974.db2.gz PJYPUXDRSBVWJS-AWEZNQCLSA-N 1 2 350.430 2.687 40 0 FFABLO Cc1noc(C)c1-c1cccc([C@@H]2CN(Cc3cn(C)c[nH+]3)CCO2)n1 ZINC000257329243 223068195 /nfs/dbraw/zinc/06/81/95/223068195.db2.gz XJBNBWSAIQJAJS-SFHVURJKSA-N 1 2 353.426 2.660 40 0 FFABLO CC(=O)N1CCc2nc([C@H]3CCCC[N@@H+]3Cc3cccnc3)ncc2C1 ZINC000019018298 220233064 /nfs/dbraw/zinc/23/30/64/220233064.db2.gz IXLSXZFTSCCYEK-LJQANCHMSA-N 1 2 351.454 2.503 40 0 FFABLO CC(=O)N1CCc2nc([C@H]3CCCC[N@H+]3Cc3cccnc3)ncc2C1 ZINC000019018298 220233066 /nfs/dbraw/zinc/23/30/66/220233066.db2.gz IXLSXZFTSCCYEK-LJQANCHMSA-N 1 2 351.454 2.503 40 0 FFABLO COc1ccc(OC)c([C@H]2CCC[N@@H+]2CC(=O)NCc2ccccn2)c1 ZINC000019656732 220280490 /nfs/dbraw/zinc/28/04/90/220280490.db2.gz JBLNCQAUXWPIAF-GOSISDBHSA-N 1 2 355.438 2.552 40 0 FFABLO COc1ccc(OC)c([C@H]2CCC[N@H+]2CC(=O)NCc2ccccn2)c1 ZINC000019656732 220280493 /nfs/dbraw/zinc/28/04/93/220280493.db2.gz JBLNCQAUXWPIAF-GOSISDBHSA-N 1 2 355.438 2.552 40 0 FFABLO Cc1[nH+]ccn1CCC1CCN(C(=O)c2cc(-c3cccnc3)[nH]n2)CC1 ZINC000019657681 220280948 /nfs/dbraw/zinc/28/09/48/220280948.db2.gz BZUMLBWKHYNRLN-UHFFFAOYSA-N 1 2 364.453 2.919 40 0 FFABLO O=C(c1cnc2ccccc2c1O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000022234024 220379772 /nfs/dbraw/zinc/37/97/72/220379772.db2.gz DMJSNOUGYPMMSU-RMKNXTFCSA-N 1 2 373.456 2.999 40 0 FFABLO O=C(C[NH+]1CCC(O)(c2ccc(F)cc2)CC1)c1ccc2c(c1)OCCO2 ZINC000057796398 221094446 /nfs/dbraw/zinc/09/44/46/221094446.db2.gz NTCIINQSQJXOCD-UHFFFAOYSA-N 1 2 371.408 2.763 40 0 FFABLO CO[C@@H]1C[N@H+](CC(=O)Nc2ccc(C(F)(F)F)cc2)C[C@]12CCCO2 ZINC000257275741 533472075 /nfs/dbraw/zinc/47/20/75/533472075.db2.gz NQRMBJMQFSONGX-GDBMZVCRSA-N 1 2 358.360 2.524 40 0 FFABLO CO[C@@H]1C[N@@H+](CC(=O)Nc2ccc(C(F)(F)F)cc2)C[C@]12CCCO2 ZINC000257275741 533472078 /nfs/dbraw/zinc/47/20/78/533472078.db2.gz NQRMBJMQFSONGX-GDBMZVCRSA-N 1 2 358.360 2.524 40 0 FFABLO Cc1noc2nc(C)cc(C(=O)N[C@@H]3CCCN(c4cccc[nH+]4)C3)c12 ZINC000130581974 132250926 /nfs/dbraw/zinc/25/09/26/132250926.db2.gz PXDKRBCZBQKDJX-CQSZACIVSA-N 1 2 351.410 2.633 40 0 FFABLO CC[C@@H](c1nnnn1Cc1ccccc1)[NH+]1CCN(c2ccccc2)CC1 ZINC000057653840 136129663 /nfs/dbraw/zinc/12/96/63/136129663.db2.gz CGWTXWPGFTZGBW-FQEVSTJZSA-N 1 2 362.481 2.995 40 0 FFABLO c1csc(CN2Cc3[nH+]ccn3C[C@H](COCc3ccccn3)C2)n1 ZINC000096059164 222007284 /nfs/dbraw/zinc/00/72/84/222007284.db2.gz FOBFVASPPWJHFG-OAHLLOKOSA-N 1 2 355.467 2.583 40 0 FFABLO Cc1oncc1C(=O)N1Cc2[nH+]cn(C)c2[C@@H](COCC2CCCC2)C1 ZINC000096068652 222011098 /nfs/dbraw/zinc/01/10/98/222011098.db2.gz XHGWKRBBBXMHBE-OAHLLOKOSA-N 1 2 358.442 2.663 40 0 FFABLO Cc1cc(C[NH+]2CCC3(CC2)NCCn2c(-c4ccccc4)cnc23)no1 ZINC000096263410 222104451 /nfs/dbraw/zinc/10/44/51/222104451.db2.gz FGNFPOKYFVWQJG-UHFFFAOYSA-N 1 2 363.465 2.941 40 0 FFABLO CC(C)n1c2cc(C(=O)NCC[NH+]3CCOCC3)n(C)c2c2ccccc21 ZINC000096264198 222105484 /nfs/dbraw/zinc/10/54/84/222105484.db2.gz MWTWEQVGDRLLTP-UHFFFAOYSA-N 1 2 368.481 2.776 40 0 FFABLO O=C(CSCc1c(Cl)cccc1Cl)NCC[NH+]1CCOCC1 ZINC000408563119 263472534 /nfs/dbraw/zinc/47/25/34/263472534.db2.gz IVHUDSOPQRUCCX-UHFFFAOYSA-N 1 2 363.310 2.675 40 0 FFABLO Cc1cc(NCC[NH+]2CCOCC2)n2nc(-c3ccc(F)cc3)cc2n1 ZINC000035314608 506380776 /nfs/dbraw/zinc/38/07/76/506380776.db2.gz USFJKGARDSJFJG-UHFFFAOYSA-N 1 2 355.417 2.588 40 0 FFABLO COc1c(C)cnc(C[NH+]2CCC3(CC2)NC(=O)c2ccccc2O3)c1C ZINC000012116290 506817749 /nfs/dbraw/zinc/81/77/49/506817749.db2.gz FTPKRRGSGLRZSN-UHFFFAOYSA-N 1 2 367.449 2.822 40 0 FFABLO CCc1cc(=O)n2[nH]c([C@@H]3CC[N@H+](Cc4ccccc4OC)C3)cc2n1 ZINC000012276601 506843089 /nfs/dbraw/zinc/84/30/89/506843089.db2.gz MFIOKANYBOCUQO-CQSZACIVSA-N 1 2 352.438 2.995 40 0 FFABLO CCc1cc(=O)n2[nH]c([C@@H]3CC[N@@H+](Cc4ccccc4OC)C3)cc2n1 ZINC000012276601 506843092 /nfs/dbraw/zinc/84/30/92/506843092.db2.gz MFIOKANYBOCUQO-CQSZACIVSA-N 1 2 352.438 2.995 40 0 FFABLO CCn1c2ccccc2[nH+]c1N1CCC(C(=O)NC[C@@H]2CCCO2)CC1 ZINC000072347651 507778253 /nfs/dbraw/zinc/77/82/53/507778253.db2.gz INJXIDAKSCVLJO-INIZCTEOSA-N 1 2 356.470 2.568 40 0 FFABLO Cc1cc(C)n2nc(C3=CC[N@H+](CC(=O)NC4CCCCC4)CC3)cc2n1 ZINC000072342768 507778637 /nfs/dbraw/zinc/77/86/37/507778637.db2.gz AIVQWYXGZFSBDJ-UHFFFAOYSA-N 1 2 367.497 2.884 40 0 FFABLO Cc1cc(C)n2nc(C3=CC[N@@H+](CC(=O)NC4CCCCC4)CC3)cc2n1 ZINC000072342768 507778640 /nfs/dbraw/zinc/77/86/40/507778640.db2.gz AIVQWYXGZFSBDJ-UHFFFAOYSA-N 1 2 367.497 2.884 40 0 FFABLO O=C(Cc1ccc(F)cc1)N1CCC(c2nccnc2-n2cc[nH+]c2)CC1 ZINC000072350660 507779321 /nfs/dbraw/zinc/77/93/21/507779321.db2.gz ZLXDGUFRTWEVAX-UHFFFAOYSA-N 1 2 365.412 2.750 40 0 FFABLO CCOc1cc([C@@H]([NH3+])c2nnc(-c3cccc(OC)c3)[nH]2)ccc1OC ZINC000095534379 508198146 /nfs/dbraw/zinc/19/81/46/508198146.db2.gz KVSVOXPJWAMOKE-QGZVFWFLSA-N 1 2 354.410 2.936 40 0 FFABLO COc1cccc([C@H]2Cn3cc[nH+]c3CN2C(=O)CC2CCOCC2)c1 ZINC000257227656 533804603 /nfs/dbraw/zinc/80/46/03/533804603.db2.gz FQHFVKAODIOLCR-GOSISDBHSA-N 1 2 355.438 2.792 40 0 FFABLO Cc1noc(C)c1C(=O)N1CCn2c(CCOCC3CC3)c[nH+]c2[C@H]1C ZINC000585097317 518532916 /nfs/dbraw/zinc/53/29/16/518532916.db2.gz IMPPCPVNBYJSSG-CYBMUJFWSA-N 1 2 358.442 2.674 40 0 FFABLO O=C(NCC[C@@H]1CCOC12C[NH+](Cc1cccs1)C2)C1CC(F)(F)C1 ZINC000585103373 518539533 /nfs/dbraw/zinc/53/95/33/518539533.db2.gz VCNHIJWRLZNBHV-CQSZACIVSA-N 1 2 370.465 2.891 40 0 FFABLO Cc1csc(Nc2nccnc2[C@H]2CCC[N@@H+](Cc3nccn3C)C2)n1 ZINC000585177448 518548326 /nfs/dbraw/zinc/54/83/26/518548326.db2.gz KZQQNSLNRPJISS-AWEZNQCLSA-N 1 2 369.498 3.098 40 0 FFABLO Cc1csc(Nc2nccnc2[C@H]2CCC[N@H+](Cc3nccn3C)C2)n1 ZINC000585177448 518548333 /nfs/dbraw/zinc/54/83/33/518548333.db2.gz KZQQNSLNRPJISS-AWEZNQCLSA-N 1 2 369.498 3.098 40 0 FFABLO O=C(NCC[C@@H]1CCOC12C[NH+](Cc1ccccc1F)C2)N1CCCC1 ZINC000306139376 534415405 /nfs/dbraw/zinc/41/54/05/534415405.db2.gz SVONHBMCIFGROQ-QGZVFWFLSA-N 1 2 361.461 2.612 40 0 FFABLO c1cncc(-c2cc(NC[C@H]3CCCO3)nc(NC3CCCCC3)[nH+]2)c1 ZINC000329039098 534504897 /nfs/dbraw/zinc/50/48/97/534504897.db2.gz RVBKMBJVRIJZRQ-QGZVFWFLSA-N 1 2 353.470 2.718 40 0 FFABLO O=C([O-])c1cccc(C[N@@H+]2CCC[C@@H](c3cncc(-n4cc[nH+]c4)n3)C2)c1 ZINC000257297190 534547604 /nfs/dbraw/zinc/54/76/04/534547604.db2.gz RGGJYCFPKRWUMF-QGZVFWFLSA-N 1 2 363.421 2.740 40 0 FFABLO O=C([O-])c1cccc(C[N@H+]2CCC[C@@H](c3cncc(-n4cc[nH+]c4)n3)C2)c1 ZINC000257297190 534547608 /nfs/dbraw/zinc/54/76/08/534547608.db2.gz RGGJYCFPKRWUMF-QGZVFWFLSA-N 1 2 363.421 2.740 40 0 FFABLO Cc1nnc(Nc2cc([C@H]3CCC[N@H+]3Cc3cnn(C)c3)nc(C)n2)s1 ZINC000072382769 571188719 /nfs/dbraw/zinc/18/87/19/571188719.db2.gz OVYBWYTYAAGQLY-OAHLLOKOSA-N 1 2 370.486 2.759 40 0 FFABLO Cc1nnc(Nc2cc([C@H]3CCC[N@@H+]3Cc3cnn(C)c3)nc(C)n2)s1 ZINC000072382769 571188720 /nfs/dbraw/zinc/18/87/20/571188720.db2.gz OVYBWYTYAAGQLY-OAHLLOKOSA-N 1 2 370.486 2.759 40 0 FFABLO COCC[C@H]1Cn2cccc2C[N@H+](Cc2ccc(S(C)(=O)=O)cc2)C1 ZINC000585095094 571219755 /nfs/dbraw/zinc/21/97/55/571219755.db2.gz FLZOFYJKKRVWFR-QGZVFWFLSA-N 1 2 362.495 2.560 40 0 FFABLO COCC[C@H]1Cn2cccc2C[N@@H+](Cc2ccc(S(C)(=O)=O)cc2)C1 ZINC000585095094 571219758 /nfs/dbraw/zinc/21/97/58/571219758.db2.gz FLZOFYJKKRVWFR-QGZVFWFLSA-N 1 2 362.495 2.560 40 0 FFABLO CCOc1ncccc1C(=O)N1CCC[C@@H](c2cc[nH+]c(N(C)C)c2)C1 ZINC000257251731 223037977 /nfs/dbraw/zinc/03/79/77/223037977.db2.gz JRXVJUPCNGUICV-MRXNPFEDSA-N 1 2 354.454 2.961 40 0 FFABLO CN(C)C(=O)c1sc2ncccc2c1[C@H]1CC[N@H+](Cc2ncc[nH]2)C1 ZINC000257288067 223051701 /nfs/dbraw/zinc/05/17/01/223051701.db2.gz PSQRZURMQAUURU-LBPRGKRZSA-N 1 2 355.467 2.711 40 0 FFABLO CN(C)C(=O)c1sc2ncccc2c1[C@H]1CC[N@@H+](Cc2ncc[nH]2)C1 ZINC000257288067 223051704 /nfs/dbraw/zinc/05/17/04/223051704.db2.gz PSQRZURMQAUURU-LBPRGKRZSA-N 1 2 355.467 2.711 40 0 FFABLO Cn1c[nH+]cc1CN1CCC[C@@H]1c1cccc(C(=O)Nc2nccs2)n1 ZINC000257344367 223073341 /nfs/dbraw/zinc/07/33/41/223073341.db2.gz ZWXDBOGVUUQYME-MRXNPFEDSA-N 1 2 368.466 2.861 40 0 FFABLO Cc1cnc(NCC[C@H]2CCOC23C[NH+](Cc2cnn(C(C)C)c2)C3)nc1 ZINC000306124675 223107658 /nfs/dbraw/zinc/10/76/58/223107658.db2.gz BWGUZJPGQAMZNE-SFHVURJKSA-N 1 2 370.501 2.656 40 0 FFABLO Cc1csc2c(C3CCN(C(=O)[C@@H](C)Cn4cncn4)CC3)[nH+]c(C)n12 ZINC000019240532 220243099 /nfs/dbraw/zinc/24/30/99/220243099.db2.gz UXTGIUKVVDEUTJ-LBPRGKRZSA-N 1 2 372.498 2.646 40 0 FFABLO CC(C)[NH+]1CCN(C(=O)[C@H]2[C@@H]3CC[C@@]4(CC(=O)c5ccccc5O4)[C@@H]32)CC1 ZINC000019447979 220257889 /nfs/dbraw/zinc/25/78/89/220257889.db2.gz MGMFKBAONQPZCX-RAWXMELESA-N 1 2 368.477 2.599 40 0 FFABLO CCn1c2ccccc2[nH+]c1N1CCC[C@@H](C(=O)NCc2ccncc2)C1 ZINC000019524412 220265524 /nfs/dbraw/zinc/26/55/24/220265524.db2.gz SNXGGSNUSJCAMO-QGZVFWFLSA-N 1 2 363.465 2.984 40 0 FFABLO COc1ccc(C[N@H+]2CCc3nc4ccsc4c(=O)n3CC2)cc1OC ZINC000019561183 220274525 /nfs/dbraw/zinc/27/45/25/220274525.db2.gz ICUSBWFBSIDEFS-UHFFFAOYSA-N 1 2 371.462 2.534 40 0 FFABLO COc1ccc(C[N@@H+]2CCc3nc4ccsc4c(=O)n3CC2)cc1OC ZINC000019561183 220274529 /nfs/dbraw/zinc/27/45/29/220274529.db2.gz ICUSBWFBSIDEFS-UHFFFAOYSA-N 1 2 371.462 2.534 40 0 FFABLO Cc1onc(-c2ccc(Cl)cc2)c1C(=O)N[C@@H](C)C[NH+]1CCOCC1 ZINC000019718261 220289575 /nfs/dbraw/zinc/28/95/75/220289575.db2.gz LLWTWYMOAMRZQI-LBPRGKRZSA-N 1 2 363.845 2.754 40 0 FFABLO C[C@@H](CO)Nc1cc(N2CCc3cc(Br)ccc3C2)nc[nH+]1 ZINC000329063447 132372958 /nfs/dbraw/zinc/37/29/58/132372958.db2.gz XENOYYKJYKDOAN-NSHDSACASA-N 1 2 363.259 2.595 40 0 FFABLO C[C@@H](CO)Nc1cc(N2CCc3cc(Br)ccc3C2)[nH+]cn1 ZINC000329063447 132372959 /nfs/dbraw/zinc/37/29/59/132372959.db2.gz XENOYYKJYKDOAN-NSHDSACASA-N 1 2 363.259 2.595 40 0 FFABLO Cn1cccc1C(=O)N1Cc2[nH+]cn(C)c2[C@H](COCC2CCCC2)C1 ZINC000096044954 221998139 /nfs/dbraw/zinc/99/81/39/221998139.db2.gz BXRCKOSLVJPGSQ-INIZCTEOSA-N 1 2 356.470 2.705 40 0 FFABLO Cn1nnc2c1[C@H](COCc1ccccn1)C[N@H+](Cc1ccsc1)C2 ZINC000096060763 222007753 /nfs/dbraw/zinc/00/77/53/222007753.db2.gz AOFMXMGNWFHAIN-HNNXBMFYSA-N 1 2 355.467 2.588 40 0 FFABLO Cn1nnc2c1[C@H](COCc1ccccn1)C[N@@H+](Cc1ccsc1)C2 ZINC000096060763 222007757 /nfs/dbraw/zinc/00/77/57/222007757.db2.gz AOFMXMGNWFHAIN-HNNXBMFYSA-N 1 2 355.467 2.588 40 0 FFABLO Cn1ncc2c1[C@H](COCC1CC1)[N@H+](Cc1ccc3c(c1)OCO3)CC2 ZINC000096197774 222073826 /nfs/dbraw/zinc/07/38/26/222073826.db2.gz JHFXDPGKSSFAJA-KRWDZBQOSA-N 1 2 355.438 2.675 40 0 FFABLO Cn1ncc2c1[C@H](COCC1CC1)[N@@H+](Cc1ccc3c(c1)OCO3)CC2 ZINC000096197774 222073831 /nfs/dbraw/zinc/07/38/31/222073831.db2.gz JHFXDPGKSSFAJA-KRWDZBQOSA-N 1 2 355.438 2.675 40 0 FFABLO Cc1nnc(NC(=O)C2CCN(c3[nH+]c4ccccc4n3C)CC2)s1 ZINC000012116306 506817499 /nfs/dbraw/zinc/81/74/99/506817499.db2.gz KMALLXPZZZKZOD-UHFFFAOYSA-N 1 2 356.455 2.588 40 0 FFABLO CC1CCN(c2nc3c(c(=O)[nH]2)CC[N@H+](Cc2ccc(F)c(F)c2)C3)CC1 ZINC000012184805 506829803 /nfs/dbraw/zinc/82/98/03/506829803.db2.gz NSBABTLRBHNZJO-UHFFFAOYSA-N 1 2 374.435 2.843 40 0 FFABLO CC1CCN(c2nc3c(c(=O)[nH]2)CC[N@@H+](Cc2ccc(F)c(F)c2)C3)CC1 ZINC000012184805 506829805 /nfs/dbraw/zinc/82/98/05/506829805.db2.gz NSBABTLRBHNZJO-UHFFFAOYSA-N 1 2 374.435 2.843 40 0 FFABLO Cc1nonc1NC(=O)C[NH+]1CCC2(C=Cc3cc(Cl)ccc3O2)CC1 ZINC000012187955 506831587 /nfs/dbraw/zinc/83/15/87/506831587.db2.gz LBRPFVHUSMJKPL-UHFFFAOYSA-N 1 2 374.828 2.910 40 0 FFABLO O[C@H](COc1ccccc1Cl)C[NH+]1CCN(Cc2ccccc2)CC1 ZINC000022874222 507317197 /nfs/dbraw/zinc/31/71/97/507317197.db2.gz IQUVZTCUUGBRMO-SFHVURJKSA-N 1 2 360.885 2.898 40 0 FFABLO COc1ccc(C(=O)NCc2ccccc2C[NH+]2CCOCC2)cc1F ZINC000024379715 507409366 /nfs/dbraw/zinc/40/93/66/507409366.db2.gz ZFXRHYUQBMNDRZ-UHFFFAOYSA-N 1 2 358.413 2.597 40 0 FFABLO Cc1ccccc1NC(=O)NC1(C(=O)N2CC[NH+](C)CC2)CCCCC1 ZINC000026439983 507587519 /nfs/dbraw/zinc/58/75/19/507587519.db2.gz QFQDUCQBFLYQAF-UHFFFAOYSA-N 1 2 358.486 2.593 40 0 FFABLO Cc1nn2c(nc(C)cc2NCC[NH+]2CCOCC2)c1-c1ccc(F)cc1 ZINC000026440415 507587558 /nfs/dbraw/zinc/58/75/58/507587558.db2.gz RLZDFFFURYFVDI-UHFFFAOYSA-N 1 2 369.444 2.896 40 0 FFABLO CCc1[nH+]ccn1-c1cccc([C@@H]2CCCN(C(=O)c3cc[nH]n3)C2)n1 ZINC000072379005 507780810 /nfs/dbraw/zinc/78/08/10/507780810.db2.gz WNWSBKKWMMNBCS-CQSZACIVSA-N 1 2 350.426 2.573 40 0 FFABLO CCc1[nH+]ccn1-c1cccc([C@@H]2CCCN(C(=O)c3ccn[nH]3)C2)n1 ZINC000072379005 507780813 /nfs/dbraw/zinc/78/08/13/507780813.db2.gz WNWSBKKWMMNBCS-CQSZACIVSA-N 1 2 350.426 2.573 40 0 FFABLO CCOc1ccc([C@@H]([NH3+])c2nc(CNc3ccccc3)n[nH]2)cc1OC ZINC000095534253 508197618 /nfs/dbraw/zinc/19/76/18/508197618.db2.gz DYBLHEJNDLJUIE-GOSISDBHSA-N 1 2 353.426 2.872 40 0 FFABLO CCOc1ccc([C@@H]([NH3+])c2nnc(CNc3ccccc3)[nH]2)cc1OC ZINC000095534253 508197619 /nfs/dbraw/zinc/19/76/19/508197619.db2.gz DYBLHEJNDLJUIE-GOSISDBHSA-N 1 2 353.426 2.872 40 0 FFABLO CCOc1ccc([C@@H]([NH3+])c2n[nH]c(CNc3ccccc3)n2)cc1OC ZINC000095534253 508197620 /nfs/dbraw/zinc/19/76/20/508197620.db2.gz DYBLHEJNDLJUIE-GOSISDBHSA-N 1 2 353.426 2.872 40 0 FFABLO C[NH+](C)[C@H](C(=O)N1CC[N@@H+](C)C[C@H]1c1ccccc1)c1ccc(F)cc1 ZINC000248041977 509223317 /nfs/dbraw/zinc/22/33/17/509223317.db2.gz VROCZVPADRQJTR-PMACEKPBSA-N 1 2 355.457 2.944 40 0 FFABLO CN(C)[C@H](C(=O)N1CC[N@H+](C)C[C@H]1c1ccccc1)c1ccc(F)cc1 ZINC000248041977 509223321 /nfs/dbraw/zinc/22/33/21/509223321.db2.gz VROCZVPADRQJTR-PMACEKPBSA-N 1 2 355.457 2.944 40 0 FFABLO CN(C)[C@H](C(=O)N1CC[N@@H+](C)C[C@H]1c1ccccc1)c1ccc(F)cc1 ZINC000248041977 509223327 /nfs/dbraw/zinc/22/33/27/509223327.db2.gz VROCZVPADRQJTR-PMACEKPBSA-N 1 2 355.457 2.944 40 0 FFABLO CCc1ccc(CC(=O)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)cc1 ZINC000224720723 509360111 /nfs/dbraw/zinc/36/01/11/509360111.db2.gz SAYJOSXWBSBMJK-UHFFFAOYSA-N 1 2 366.461 2.865 40 0 FFABLO CO[C@](C)(CC(C)C)C(=O)Nc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000225606555 509377975 /nfs/dbraw/zinc/37/79/75/509377975.db2.gz QJTZUBCKIYCRIZ-HXUWFJFHSA-N 1 2 364.486 2.787 40 0 FFABLO COc1ccc(C[NH+]2CC3(C2)OCC[C@@H]3CCNc2ncc(C)cn2)cc1 ZINC000253600398 509900824 /nfs/dbraw/zinc/90/08/24/509900824.db2.gz MWVSPMNWWGRHLD-SFHVURJKSA-N 1 2 368.481 2.887 40 0 FFABLO Cc1cccc(C[NH+]2CC3(C2)C[C@@H](CCOc2cncc(C)n2)CCO3)n1 ZINC000253601294 509902617 /nfs/dbraw/zinc/90/26/17/509902617.db2.gz ONSXYUWDQXKHOP-SFHVURJKSA-N 1 2 368.481 2.939 40 0 FFABLO CSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@H]2c1ccsc1 ZINC000261362174 509985697 /nfs/dbraw/zinc/98/56/97/509985697.db2.gz HCPGTGBZJCYHKM-MRXNPFEDSA-O 1 2 371.467 2.834 40 0 FFABLO Cc1cccc(COCC[C@@H]2CCOC23C[NH+](Cc2ccncc2)C3)n1 ZINC000247851648 510871420 /nfs/dbraw/zinc/87/14/20/510871420.db2.gz ASAXJNKIBFVQPE-LJQANCHMSA-N 1 2 353.466 2.983 40 0 FFABLO Cc1cc(Nc2ncccn2)nc([C@@H]2CCCCN2Cc2c[nH+]cn2C)n1 ZINC000257297156 534005648 /nfs/dbraw/zinc/00/56/48/534005648.db2.gz RGDBXQCFKDBFGR-INIZCTEOSA-N 1 2 364.457 2.779 40 0 FFABLO O=S1(=O)C[C@H](O)[C@@H]([N@H+](Cc2ccccc2)Cc2cccc(Cl)c2)C1 ZINC000575420969 518215768 /nfs/dbraw/zinc/21/57/68/518215768.db2.gz LMTYELNCIMTXDD-ROUUACIJSA-N 1 2 365.882 2.500 40 0 FFABLO O=S1(=O)C[C@H](O)[C@@H]([N@@H+](Cc2ccccc2)Cc2cccc(Cl)c2)C1 ZINC000575420969 518215770 /nfs/dbraw/zinc/21/57/70/518215770.db2.gz LMTYELNCIMTXDD-ROUUACIJSA-N 1 2 365.882 2.500 40 0 FFABLO Cc1cc(CN2CCn3c(CCOc4cc[nH+]cc4)cnc3[C@H]2C)no1 ZINC000585097175 518532784 /nfs/dbraw/zinc/53/27/84/518532784.db2.gz GLRIOLROMIDUBI-OAHLLOKOSA-N 1 2 353.426 2.773 40 0 FFABLO Cc1cc(CN2CCn3c(CCOc4cccnc4)c[nH+]c3[C@@H]2C)no1 ZINC000585098015 518535508 /nfs/dbraw/zinc/53/55/08/518535508.db2.gz QKVATYKLPMSVII-HNNXBMFYSA-N 1 2 353.426 2.773 40 0 FFABLO O=C(NCC[C@H]1C[N@H+](Cc2ccccc2)Cc2ccnn21)N1CCCC1 ZINC000585112778 518546006 /nfs/dbraw/zinc/54/60/06/518546006.db2.gz WFSUAABUQKAARO-SFHVURJKSA-N 1 2 353.470 2.636 40 0 FFABLO O=C(NCC[C@H]1C[N@@H+](Cc2ccccc2)Cc2ccnn21)N1CCCC1 ZINC000585112778 518546012 /nfs/dbraw/zinc/54/60/12/518546012.db2.gz WFSUAABUQKAARO-SFHVURJKSA-N 1 2 353.470 2.636 40 0 FFABLO CO[C@H]1CN(C(=O)CCCn2cc[nH+]c2)CC[C@@H]1Cc1ccccc1F ZINC000585278415 518553328 /nfs/dbraw/zinc/55/33/28/518553328.db2.gz DLFHXYZIMWJFRY-MJGOQNOKSA-N 1 2 359.445 2.909 40 0 FFABLO O=C(Nc1nccs1)c1cccc([C@@H]2CCCN2Cc2[nH]cc[nH+]2)n1 ZINC000257219901 534475508 /nfs/dbraw/zinc/47/55/08/534475508.db2.gz DISPTICVNYOYGL-AWEZNQCLSA-N 1 2 354.439 2.851 40 0 FFABLO CCC[C@H](c1nnnn1Cc1ccco1)[NH+]1CCN(c2ccccc2)CC1 ZINC000057671156 535722042 /nfs/dbraw/zinc/72/20/42/535722042.db2.gz NJRIBQMHMIYBJK-LJQANCHMSA-N 1 2 366.469 2.978 40 0 FFABLO O=C(NCc1cc[nH+]c(N2CCCCC2)c1)N[C@H]1COc2ccccc2C1 ZINC000193129571 571150820 /nfs/dbraw/zinc/15/08/20/571150820.db2.gz XPHQASPOGDZWHG-GOSISDBHSA-N 1 2 366.465 2.875 40 0 FFABLO Cc1cc([C@H]2CCCCN2C(=O)CCCn2cc[nH+]c2)nc2nccn21 ZINC000257225938 223028295 /nfs/dbraw/zinc/02/82/95/223028295.db2.gz FIMLXSGQPISZGX-QGZVFWFLSA-N 1 2 352.442 2.768 40 0 FFABLO Cc1cn(C)c([C@H]2CCCN(C(=O)c3cc4c([nH]c3=O)CCCC4)C2)[nH+]1 ZINC000257226396 223028544 /nfs/dbraw/zinc/02/85/44/223028544.db2.gz FKMTWDDPQNMLBI-HNNXBMFYSA-N 1 2 354.454 2.728 40 0 FFABLO Cc1cc(C)nc(Nc2nccnc2[C@H]2CCC[N@H+]2Cc2ccnn2C)n1 ZINC000257214340 223024435 /nfs/dbraw/zinc/02/44/35/223024435.db2.gz CLQJWJXNRKSFKP-MRXNPFEDSA-N 1 2 364.457 2.698 40 0 FFABLO Cc1cc(C)nc(Nc2nccnc2[C@H]2CCC[N@@H+]2Cc2ccnn2C)n1 ZINC000257214340 223024437 /nfs/dbraw/zinc/02/44/37/223024437.db2.gz CLQJWJXNRKSFKP-MRXNPFEDSA-N 1 2 364.457 2.698 40 0 FFABLO COc1ccccc1[C@@H]1Cn2c(C)c[nH+]c2CN1C(=O)c1ncoc1C ZINC000257233820 223030936 /nfs/dbraw/zinc/03/09/36/223030936.db2.gz GQWIYXZQTDGHDV-HNNXBMFYSA-N 1 2 352.394 2.894 40 0 FFABLO Cc1cn(C)c([C@H]2CCCN(C(=O)c3cc(C)nc4onc(C)c43)C2)[nH+]1 ZINC000257266206 223042107 /nfs/dbraw/zinc/04/21/07/223042107.db2.gz MBZRUIVNSORBPE-AWEZNQCLSA-N 1 2 353.426 2.901 40 0 FFABLO Cn1c[nH+]cc1-c1cc(CC2CCN(C(=O)c3cccnc3)CC2)ccn1 ZINC000257277971 223048945 /nfs/dbraw/zinc/04/89/45/223048945.db2.gz OAEJEWLBCDKGMI-UHFFFAOYSA-N 1 2 361.449 2.972 40 0 FFABLO O=C(c1ccsc1)N1CCC[C@@H]1c1ccc(C[NH+]2CCOCC2)cn1 ZINC000257311004 223062024 /nfs/dbraw/zinc/06/20/24/223062024.db2.gz UHNLEFICQGKKTM-GOSISDBHSA-N 1 2 357.479 2.953 40 0 FFABLO NC(=O)c1sc2c(c1N)=C(c1ccco1)[C@H]1CCCCCCC[C@H]1[NH+]=2 ZINC000261508254 223075948 /nfs/dbraw/zinc/07/59/48/223075948.db2.gz QWEPOPBXBLFBTC-NWDGAFQWSA-N 1 2 357.479 2.584 40 0 FFABLO CN(C)C(=O)NC[C@@H]1C[N@H+](Cc2cccc3ccccc32)Cc2ccnn21 ZINC000306137923 223111715 /nfs/dbraw/zinc/11/17/15/223111715.db2.gz RKDKVZIXAJHVDR-LJQANCHMSA-N 1 2 363.465 2.864 40 0 FFABLO CN(C)C(=O)NC[C@@H]1C[N@@H+](Cc2cccc3ccccc32)Cc2ccnn21 ZINC000306137923 223111718 /nfs/dbraw/zinc/11/17/18/223111718.db2.gz RKDKVZIXAJHVDR-LJQANCHMSA-N 1 2 363.465 2.864 40 0 FFABLO COc1ccc(C[N@@H+]2C[C@H](O)C[C@H]2c2nc(Cc3ccccc3)no2)cc1 ZINC000015674606 220159595 /nfs/dbraw/zinc/15/95/95/220159595.db2.gz YMXHEXPDDHJDGR-MJGOQNOKSA-N 1 2 365.433 2.977 40 0 biogenic,in-vitro FFABLO COc1ccc(C[N@H+]2C[C@H](O)C[C@H]2c2nc(Cc3ccccc3)no2)cc1 ZINC000015674606 220159597 /nfs/dbraw/zinc/15/95/97/220159597.db2.gz YMXHEXPDDHJDGR-MJGOQNOKSA-N 1 2 365.433 2.977 40 0 biogenic,in-vitro FFABLO Cc1ccc([C@@H](O)C[NH+]2CCN(C(=O)c3ccccc3F)CC2)c(C)c1 ZINC000019132454 220237502 /nfs/dbraw/zinc/23/75/02/220237502.db2.gz OWNBVAJKZWIWQY-FQEVSTJZSA-N 1 2 356.441 2.934 40 0 FFABLO Cc1csc2c(C3CCN(C(=O)CCCn4cncn4)CC3)[nH+]c(C)n12 ZINC000019240546 220243009 /nfs/dbraw/zinc/24/30/09/220243009.db2.gz FYGFNTXWKJRGEH-UHFFFAOYSA-N 1 2 372.498 2.791 40 0 FFABLO COc1cccc([C@H](NC(=O)c2ccn(C(F)F)n2)c2[nH+]ccn2C)c1 ZINC000019291245 220246475 /nfs/dbraw/zinc/24/64/75/220246475.db2.gz BBBXFWCVWXNYLJ-AWEZNQCLSA-N 1 2 361.352 2.540 40 0 FFABLO Cn1nc(-c2cccnc2)cc1C[NH+]1CCN(C(=O)C2CCCCC2)CC1 ZINC000019289003 220245940 /nfs/dbraw/zinc/24/59/40/220245940.db2.gz INXFJIBNHPXQJO-UHFFFAOYSA-N 1 2 367.497 2.707 40 0 FFABLO CCn1cc(C[N@@H+]2CCc3c(nc4cc(C(C)(C)C)[nH]n4c3=O)C2)cn1 ZINC000019524993 220265864 /nfs/dbraw/zinc/26/58/64/220265864.db2.gz QCXBCGKQPJQXDQ-UHFFFAOYSA-N 1 2 354.458 2.507 40 0 FFABLO CCn1cc(C[N@H+]2CCc3c(nc4cc(C(C)(C)C)[nH]n4c3=O)C2)cn1 ZINC000019524993 220265866 /nfs/dbraw/zinc/26/58/66/220265866.db2.gz QCXBCGKQPJQXDQ-UHFFFAOYSA-N 1 2 354.458 2.507 40 0 FFABLO CNc1cc([C@H]2CCC[N@@H+]2Cc2ccnc(N3CCCC3)n2)nc(C)n1 ZINC000257274251 533054822 /nfs/dbraw/zinc/05/48/22/533054822.db2.gz NKEWEWPJGDAMRE-QGZVFWFLSA-N 1 2 353.474 2.554 40 0 FFABLO CNc1cc([C@H]2CCC[N@H+]2Cc2ccnc(N3CCCC3)n2)nc(C)n1 ZINC000257274251 533054826 /nfs/dbraw/zinc/05/48/26/533054826.db2.gz NKEWEWPJGDAMRE-QGZVFWFLSA-N 1 2 353.474 2.554 40 0 FFABLO O=C(NC(=S)Nc1ccc(C[NH+]2CCOCC2)cc1)c1cccs1 ZINC000022276977 220381150 /nfs/dbraw/zinc/38/11/50/220381150.db2.gz FVWFCVRLHDQKGN-UHFFFAOYSA-N 1 2 361.492 2.707 40 0 FFABLO COc1ccc(C[N@@H+]2C[C@@H](F)[C@@H](OCc3nc4cc[nH]cc-4n3)C2)cc1 ZINC000096112113 222029856 /nfs/dbraw/zinc/02/98/56/222029856.db2.gz GJDZRPOUHQJHNI-QAPCUYQASA-N 1 2 356.401 2.706 40 0 biogenic,in-vitro FFABLO COc1ccc(C[N@H+]2C[C@@H](F)[C@@H](OCc3nc4cc[nH]cc-4n3)C2)cc1 ZINC000096112113 222029861 /nfs/dbraw/zinc/02/98/61/222029861.db2.gz GJDZRPOUHQJHNI-QAPCUYQASA-N 1 2 356.401 2.706 40 0 biogenic,in-vitro FFABLO COc1ccc2[nH]c(CO[C@H]3C[N@H+](Cc4ccccn4)C[C@H]3F)nc2c1 ZINC000096112265 222030106 /nfs/dbraw/zinc/03/01/06/222030106.db2.gz IZKZRBBMBLTPJH-QAPCUYQASA-N 1 2 356.401 2.706 40 0 biogenic,in-vitro FFABLO COc1ccc2[nH]c(CO[C@H]3C[N@@H+](Cc4ccccn4)C[C@H]3F)nc2c1 ZINC000096112265 222030111 /nfs/dbraw/zinc/03/01/11/222030111.db2.gz IZKZRBBMBLTPJH-QAPCUYQASA-N 1 2 356.401 2.706 40 0 biogenic,in-vitro FFABLO COc1ccc(C[N@@H+]2C[C@H]3C[C@H](C(=O)Nc4ccccc4)[C@@H](C2)O3)cc1 ZINC000096253388 222101765 /nfs/dbraw/zinc/10/17/65/222101765.db2.gz NSQPFOGLNNGJLB-HSALFYBXSA-N 1 2 352.434 2.923 40 0 FFABLO COc1ccc(C[N@H+]2C[C@H]3C[C@H](C(=O)Nc4ccccc4)[C@@H](C2)O3)cc1 ZINC000096253388 222101767 /nfs/dbraw/zinc/10/17/67/222101767.db2.gz NSQPFOGLNNGJLB-HSALFYBXSA-N 1 2 352.434 2.923 40 0 FFABLO Cc1nc(N2CC[NH+](C)CC2)nc2c1C(=O)C[C@@H](c1ccccc1F)C2 ZINC000009287072 506687008 /nfs/dbraw/zinc/68/70/08/506687008.db2.gz WPQSZNUEVCEEJF-AWEZNQCLSA-N 1 2 354.429 2.589 40 0 FFABLO O=C(C[N@H+]1[C@@H]2CC[C@H]1CC(O)(c1ccccn1)C2)Nc1ccccc1F ZINC000012114404 506815425 /nfs/dbraw/zinc/81/54/25/506815425.db2.gz DJMNRJPBEGJNNO-DBIVSCPCSA-N 1 2 355.413 2.674 40 0 FFABLO O=C(C[N@@H+]1[C@@H]2CC[C@H]1CC(O)(c1ccccn1)C2)Nc1ccccc1F ZINC000012114404 506815431 /nfs/dbraw/zinc/81/54/31/506815431.db2.gz DJMNRJPBEGJNNO-DBIVSCPCSA-N 1 2 355.413 2.674 40 0 FFABLO COc1ccccc1C[N@@H+](Cc1cnc(N(C)C)nc1)C[C@@H]1CCCO1 ZINC000012187570 506832063 /nfs/dbraw/zinc/83/20/63/506832063.db2.gz ZFHYYAFSXYHCMC-SFHVURJKSA-N 1 2 356.470 2.732 40 0 FFABLO COc1ccccc1C[N@H+](Cc1cnc(N(C)C)nc1)C[C@@H]1CCCO1 ZINC000012187570 506832069 /nfs/dbraw/zinc/83/20/69/506832069.db2.gz ZFHYYAFSXYHCMC-SFHVURJKSA-N 1 2 356.470 2.732 40 0 FFABLO OCc1nnc2n1CC[N@@H+](Cc1cn(C3CCCC3)c3ccccc13)C2 ZINC000012344500 506853760 /nfs/dbraw/zinc/85/37/60/506853760.db2.gz GVGWIPGETJXTEV-UHFFFAOYSA-N 1 2 351.454 2.856 40 0 FFABLO OCc1nnc2n1CC[N@H+](Cc1cn(C3CCCC3)c3ccccc13)C2 ZINC000012344500 506853768 /nfs/dbraw/zinc/85/37/68/506853768.db2.gz GVGWIPGETJXTEV-UHFFFAOYSA-N 1 2 351.454 2.856 40 0 FFABLO OC1CC[NH+](Cc2nc(-c3cccnc3OC3CCCCC3)no2)CC1 ZINC000012365415 506856380 /nfs/dbraw/zinc/85/63/80/506856380.db2.gz ZBDZIHHRSSLSTC-UHFFFAOYSA-N 1 2 358.442 2.800 40 0 FFABLO CCOC(=O)c1ccc(NC(=O)c2cccc(C[NH+]3CCOCC3)c2)cc1 ZINC000044949583 506902544 /nfs/dbraw/zinc/90/25/44/506902544.db2.gz PBYWWTNMKSSUNP-UHFFFAOYSA-N 1 2 368.433 2.948 40 0 FFABLO Cc1ccc(C2=CC[N@H+](CC(=O)NCc3ccc4c(c3)OCO4)CC2)o1 ZINC000072342280 507778172 /nfs/dbraw/zinc/77/81/72/507778172.db2.gz RNNZIEKEYOBSKE-UHFFFAOYSA-N 1 2 354.406 2.722 40 0 FFABLO Cc1ccc(C2=CC[N@@H+](CC(=O)NCc3ccc4c(c3)OCO4)CC2)o1 ZINC000072342280 507778176 /nfs/dbraw/zinc/77/81/76/507778176.db2.gz RNNZIEKEYOBSKE-UHFFFAOYSA-N 1 2 354.406 2.722 40 0 FFABLO CC(=O)N1CCc2nnc([C@@H]3CCCC[N@@H+]3Cc3ccccc3F)n2CC1 ZINC000072372808 507781288 /nfs/dbraw/zinc/78/12/88/507781288.db2.gz VEWZCCJUOSDWHG-SFHVURJKSA-N 1 2 371.460 2.549 40 0 FFABLO CC(=O)N1CCc2nnc([C@@H]3CCCC[N@H+]3Cc3ccccc3F)n2CC1 ZINC000072372808 507781289 /nfs/dbraw/zinc/78/12/89/507781289.db2.gz VEWZCCJUOSDWHG-SFHVURJKSA-N 1 2 371.460 2.549 40 0 FFABLO COc1cc(-c2nnc([C@H]([NH3+])c3ccc(F)cc3)[nH]2)cc(OC)c1OC ZINC000095533252 508197138 /nfs/dbraw/zinc/19/71/38/508197138.db2.gz SYYFLZUGNPYQSM-OAHLLOKOSA-N 1 2 358.373 2.685 40 0 FFABLO COC[C@H]1CN(Cc2ccc3c(c2)OCO3)Cc2[nH+]cn(CC3CC3)c21 ZINC000096045061 508203815 /nfs/dbraw/zinc/20/38/15/508203815.db2.gz LETSQXLZXDYYOA-MRXNPFEDSA-N 1 2 355.438 2.768 40 0 FFABLO COC[C@H]1C[N@H+](Cc2ccc3c(c2)OCO3)Cc2ncn(CC3CC3)c21 ZINC000096045061 508203816 /nfs/dbraw/zinc/20/38/16/508203816.db2.gz LETSQXLZXDYYOA-MRXNPFEDSA-N 1 2 355.438 2.768 40 0 FFABLO COC[C@H]1C[N@@H+](Cc2ccc3c(c2)OCO3)Cc2ncn(CC3CC3)c21 ZINC000096045061 508203818 /nfs/dbraw/zinc/20/38/18/508203818.db2.gz LETSQXLZXDYYOA-MRXNPFEDSA-N 1 2 355.438 2.768 40 0 FFABLO O=C(Cc1cccs1)N1Cc2ccnn2C[C@@H](CNc2cccc[nH+]2)C1 ZINC000247892386 509188544 /nfs/dbraw/zinc/18/85/44/509188544.db2.gz YWYMXKDBJFNZIP-HNNXBMFYSA-N 1 2 367.478 2.653 40 0 FFABLO Cc1ccsc1C[N@@H+]1Cc2ncn(C)c2[C@@H](C(=O)N2CCCCC2)C1 ZINC000248011745 509217122 /nfs/dbraw/zinc/21/71/22/509217122.db2.gz FDXOPIHQVAUIAK-HNNXBMFYSA-N 1 2 358.511 2.902 40 0 FFABLO Cc1ccsc1C[N@H+]1Cc2ncn(C)c2[C@@H](C(=O)N2CCCCC2)C1 ZINC000248011745 509217130 /nfs/dbraw/zinc/21/71/30/509217130.db2.gz FDXOPIHQVAUIAK-HNNXBMFYSA-N 1 2 358.511 2.902 40 0 FFABLO CSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@H]2c1ccccc1 ZINC000261364705 509987444 /nfs/dbraw/zinc/98/74/44/509987444.db2.gz NBTJISRRGUYFJR-GOSISDBHSA-O 1 2 365.438 2.772 40 0 FFABLO O=C(NCC[C@@H]1CCOC12C[NH+](Cc1ccccc1F)C2)c1cccnc1 ZINC000247493756 510863186 /nfs/dbraw/zinc/86/31/86/510863186.db2.gz NOFRMHNHKJNZIN-GOSISDBHSA-N 1 2 369.440 2.632 40 0 FFABLO O=C(C[C@H]1C[N@H+](Cc2ccc3ccccc3n2)Cc2ccnn21)NC1CC1 ZINC000247859611 510871612 /nfs/dbraw/zinc/87/16/12/510871612.db2.gz MDFRATHQKXGGEF-IBGZPJMESA-N 1 2 361.449 2.657 40 0 FFABLO O=C(C[C@H]1C[N@@H+](Cc2ccc3ccccc3n2)Cc2ccnn21)NC1CC1 ZINC000247859611 510871613 /nfs/dbraw/zinc/87/16/13/510871613.db2.gz MDFRATHQKXGGEF-IBGZPJMESA-N 1 2 361.449 2.657 40 0 FFABLO CC(C)(C)Nc1nc(N2CCC[C@@H](F)C2)nc(N2CCC[C@H](F)C2)[nH+]1 ZINC000578476136 518225386 /nfs/dbraw/zinc/22/53/86/518225386.db2.gz YQOKBJVBWPTAQT-BETUJISGSA-N 1 2 354.449 2.959 40 0 FFABLO CC(C)(C)Nc1nc(N2CCC[C@H](F)C2)nc(N2CCC[C@@H](F)C2)[nH+]1 ZINC000578476136 518225393 /nfs/dbraw/zinc/22/53/93/518225393.db2.gz YQOKBJVBWPTAQT-BETUJISGSA-N 1 2 354.449 2.959 40 0 FFABLO CCOC(=O)c1ccccc1NC(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000216387330 521556163 /nfs/dbraw/zinc/55/61/63/521556163.db2.gz KSBMWNPJZFYOJM-UHFFFAOYSA-N 1 2 368.433 2.948 40 0 FFABLO CC(C)n1cc(CN2Cc3c[nH+]cn3[C@@H](COc3ccccn3)C2)cn1 ZINC000306126304 528564931 /nfs/dbraw/zinc/56/49/31/528564931.db2.gz DSBUAYOYAVFHPE-GOSISDBHSA-N 1 2 352.442 2.691 40 0 FFABLO CC(C)[N@@H+]1CCc2c(n3ncc(-c4ccccc4)nc3c2C(=O)N(C)C)C1 ZINC000306135510 529084939 /nfs/dbraw/zinc/08/49/39/529084939.db2.gz OTMRTFHFJAZHNB-UHFFFAOYSA-N 1 2 363.465 2.865 40 0 FFABLO CC(C)[N@H+]1CCc2c(n3ncc(-c4ccccc4)nc3c2C(=O)N(C)C)C1 ZINC000306135510 529084945 /nfs/dbraw/zinc/08/49/45/529084945.db2.gz OTMRTFHFJAZHNB-UHFFFAOYSA-N 1 2 363.465 2.865 40 0 FFABLO O=C(NCCc1[nH+]ccn1Cc1ccccc1)N1CC[C@]2(C1)CCCOC2 ZINC000685938841 568429051 /nfs/dbraw/zinc/42/90/51/568429051.db2.gz HHQYBZJEBJLEAF-NRFANRHFSA-N 1 2 368.481 2.686 40 0 FFABLO CCOC[C@H]1Cc2c([nH+]cn2C)CN1C(=O)c1ccnc2ccccc21 ZINC000585094822 571219801 /nfs/dbraw/zinc/21/98/01/571219801.db2.gz OADPSQRHJNOTNZ-CQSZACIVSA-N 1 2 350.422 2.572 40 0 FFABLO CC[C@H](C)Nc1nc(Nc2cc(C(=O)OC)ccc2OC)cc(C2CC2)[nH+]1 ZINC000328995855 529702554 /nfs/dbraw/zinc/70/25/54/529702554.db2.gz JISDPDADSIUGPQ-LBPRGKRZSA-N 1 2 370.453 2.947 40 0 FFABLO CN(C)c1cc([C@@H]2CCCN2C(=O)c2cc3c([nH]c2=O)CCC3)cc[nH+]1 ZINC000257252088 529774360 /nfs/dbraw/zinc/77/43/60/529774360.db2.gz JTNKYHRHIPNHKG-KRWDZBQOSA-N 1 2 352.438 2.714 40 0 FFABLO Cc1ncsc1C(=O)N1CC[C@H](c2ncncc2-c2cc[nH+]c(N)c2)C1 ZINC000257216447 223024219 /nfs/dbraw/zinc/02/42/19/223024219.db2.gz CUNUUSOJPVRHQA-ZDUSSCGKSA-N 1 2 366.450 2.515 40 0 FFABLO CN(C)C(=O)c1sc2nccnc2c1[C@H]1CC[N@H+](Cc2cscn2)C1 ZINC000257254980 223038972 /nfs/dbraw/zinc/03/89/72/223038972.db2.gz KFPLWMLYNOBXQG-NSHDSACASA-N 1 2 373.507 2.839 40 0 FFABLO CN(C)C(=O)c1sc2nccnc2c1[C@H]1CC[N@@H+](Cc2cscn2)C1 ZINC000257254980 223038974 /nfs/dbraw/zinc/03/89/74/223038974.db2.gz KFPLWMLYNOBXQG-NSHDSACASA-N 1 2 373.507 2.839 40 0 FFABLO O=C(NC[C@H]1CCC2(C[NH+](Cc3ccccc3F)C2)OC1)N1CCCC1 ZINC000306126916 223106982 /nfs/dbraw/zinc/10/69/82/223106982.db2.gz FIUUNLUYKOSLLI-MRXNPFEDSA-N 1 2 361.461 2.612 40 0 FFABLO Cc1cccc(COC[C@@H]2CN(C(=O)C3=CCCC3)Cc3c[nH+]cn32)n1 ZINC000306124045 223107013 /nfs/dbraw/zinc/10/70/13/223107013.db2.gz BECDEIHRKIVTKV-IBGZPJMESA-N 1 2 352.438 2.797 40 0 FFABLO Cc1ccc(C(F)(F)F)cc1Nc1cc(C2CC2)[nH+]c(NCCO)n1 ZINC000329044421 223131045 /nfs/dbraw/zinc/13/10/45/223131045.db2.gz SXLYBYQRZCDQBT-UHFFFAOYSA-N 1 2 352.360 2.673 40 0 FFABLO C[C@H](CO)Nc1nc(NCc2ccccc2F)cc(-c2ccccc2)[nH+]1 ZINC000329069979 223131818 /nfs/dbraw/zinc/13/18/18/223131818.db2.gz ZBYRTEABSIBTEA-CQSZACIVSA-N 1 2 352.413 2.531 40 0 FFABLO CNc1cc([C@H]2CCCN2C(=O)Cn2ccc(C(F)(F)F)n2)cc[nH+]1 ZINC000257223579 533055089 /nfs/dbraw/zinc/05/50/89/533055089.db2.gz DXZHOBDXRCMMST-GFCCVEGCSA-N 1 2 353.348 2.702 40 0 FFABLO Cc1cc2c(cc1-c1c[nH+]cn1CCCC(C)(C)CO)n(C)c(=O)n2C ZINC000019719934 220291333 /nfs/dbraw/zinc/29/13/33/220291333.db2.gz LWHKQJAZWBEOGJ-UHFFFAOYSA-N 1 2 356.470 2.848 40 0 FFABLO CNc1nccnc1[C@H]1C[N@H+](Cc2cc3cc(OC)ccc3[nH]2)CCO1 ZINC000257254414 533089142 /nfs/dbraw/zinc/08/91/42/533089142.db2.gz KCYMGHNEBWRNQZ-QGZVFWFLSA-N 1 2 353.426 2.582 40 0 FFABLO CNc1nccnc1[C@H]1C[N@@H+](Cc2cc3cc(OC)ccc3[nH]2)CCO1 ZINC000257254414 533089149 /nfs/dbraw/zinc/08/91/49/533089149.db2.gz KCYMGHNEBWRNQZ-QGZVFWFLSA-N 1 2 353.426 2.582 40 0 FFABLO CCOc1ccc(S(=O)(=O)NCc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000022510679 220388084 /nfs/dbraw/zinc/38/80/84/220388084.db2.gz CCRZPQPPGIURSB-UHFFFAOYSA-N 1 2 357.435 2.750 40 0 FFABLO COC(=O)c1ccc(C)c(NC(=O)c2cccc(C[NH+]3CCOCC3)c2)c1 ZINC000022530069 220389799 /nfs/dbraw/zinc/38/97/99/220389799.db2.gz PBPSEMYTLRYERC-UHFFFAOYSA-N 1 2 368.433 2.866 40 0 FFABLO Cn1cc[nH+]c1[C@H]1CCN(S(=O)(=O)c2cc(Cl)cc(Cl)c2)C1 ZINC000332099659 258214006 /nfs/dbraw/zinc/21/40/06/258214006.db2.gz YBZRZMBLRCDOBM-JTQLQIEISA-N 1 2 360.266 2.905 40 0 FFABLO O=C(COc1ccccc1)N1CC[C@]2(C1)CCCN(c1cccc[nH+]1)C2 ZINC000096216767 132222501 /nfs/dbraw/zinc/22/25/01/132222501.db2.gz JVVRDKPSSZGCGY-OAQYLSRUSA-N 1 2 351.450 2.980 40 0 FFABLO c1cc(C[NH+]2CCN(c3nccn4c(-c5cccnc5)cnc34)CC2)co1 ZINC000306128203 132301590 /nfs/dbraw/zinc/30/15/90/132301590.db2.gz GUAVDTORMPUINH-UHFFFAOYSA-N 1 2 360.421 2.707 40 0 FFABLO C[C@H](CO)Nc1cc(N2CCc3ccc(Br)cc3C2)nc[nH+]1 ZINC000328982941 132372131 /nfs/dbraw/zinc/37/21/31/132372131.db2.gz HEFCERBVVONYKB-LLVKDONJSA-N 1 2 363.259 2.595 40 0 FFABLO C[C@H](CO)Nc1cc(N2CCc3ccc(Br)cc3C2)[nH+]cn1 ZINC000328982941 132372132 /nfs/dbraw/zinc/37/21/32/132372132.db2.gz HEFCERBVVONYKB-LLVKDONJSA-N 1 2 363.259 2.595 40 0 FFABLO CCC[C@@H](c1nnnn1CCOC)[NH+]1CCN(c2cccc(C)c2C)CC1 ZINC000057670006 136129922 /nfs/dbraw/zinc/12/99/22/136129922.db2.gz UYOOWYBVFONOCY-IBGZPJMESA-N 1 2 372.517 2.600 40 0 FFABLO Cc1ccc(C(=O)N2CCCn3nnc(C[NH+]4CCCCC4)c3C2)cc1F ZINC000096259584 222102791 /nfs/dbraw/zinc/10/27/91/222102791.db2.gz LCECNRCJVLWCNZ-UHFFFAOYSA-N 1 2 371.460 2.758 40 0 FFABLO CC[C@H](c1nnnn1C(C)(C)C)[NH+]1CCN(c2ccccc2OC)CC1 ZINC000035310768 506377804 /nfs/dbraw/zinc/37/78/04/506377804.db2.gz AYCTZWOCKWUAHL-OAHLLOKOSA-N 1 2 358.490 2.710 40 0 FFABLO CC(=O)N(C)c1ccc(OC[C@H](O)Cn2c(C)[nH+]c3ccccc32)cc1 ZINC000004906763 506403500 /nfs/dbraw/zinc/40/35/00/506403500.db2.gz ALBCGFNSGBVSSE-QGZVFWFLSA-N 1 2 353.422 2.767 40 0 FFABLO CCCn1ncc(C[N@@H+]2CCc3nc(-c4ccccn4)[nH]c(=O)c3C2)c1C ZINC000012122498 506819810 /nfs/dbraw/zinc/81/98/10/506819810.db2.gz NIYMXGNKRDUUQM-UHFFFAOYSA-N 1 2 364.453 2.717 40 0 FFABLO CCCn1ncc(C[N@H+]2CCc3nc(-c4ccccn4)[nH]c(=O)c3C2)c1C ZINC000012122498 506819817 /nfs/dbraw/zinc/81/98/17/506819817.db2.gz NIYMXGNKRDUUQM-UHFFFAOYSA-N 1 2 364.453 2.717 40 0 FFABLO C[C@H]1CCCCN1c1nc2c(c(=O)[nH]1)CC[N@H+](Cc1ccc(F)cc1)C2 ZINC000012184685 506829932 /nfs/dbraw/zinc/82/99/32/506829932.db2.gz MBDMETIAIGSRKU-AWEZNQCLSA-N 1 2 356.445 2.846 40 0 FFABLO C[C@H]1CCCCN1c1nc2c(c(=O)[nH]1)CC[N@@H+](Cc1ccc(F)cc1)C2 ZINC000012184685 506829935 /nfs/dbraw/zinc/82/99/35/506829935.db2.gz MBDMETIAIGSRKU-AWEZNQCLSA-N 1 2 356.445 2.846 40 0 FFABLO Cc1cc(N2CCOCC2)nc(SC[C@@H]2COc3ccccc3O2)[nH+]1 ZINC000022636491 507301595 /nfs/dbraw/zinc/30/15/95/507301595.db2.gz CKXVRMZVBINAKP-AWEZNQCLSA-N 1 2 359.451 2.554 40 0 FFABLO COc1ccc(C[NH+]2CCN(C(=O)c3cccc(OC)c3OC)CC2)cc1 ZINC000024306638 507403762 /nfs/dbraw/zinc/40/37/62/507403762.db2.gz ZQJCIHWWPMZAJF-UHFFFAOYSA-N 1 2 370.449 2.670 40 0 FFABLO Nc1cc(-c2c[nH]nc2[C@H]2CCCN2C(=O)COc2ccccc2)cc[nH+]1 ZINC000072357489 507779411 /nfs/dbraw/zinc/77/94/11/507779411.db2.gz UWNFUPXYOIKRJC-QGZVFWFLSA-N 1 2 363.421 2.796 40 0 FFABLO O=C(C[N@@H+]1CCCC[C@H]1c1ccnc(Nc2ccccn2)n1)N1CCCC1 ZINC000072377581 507781276 /nfs/dbraw/zinc/78/12/76/507781276.db2.gz BTRMHNRMMLHQQN-KRWDZBQOSA-N 1 2 366.469 2.765 40 0 FFABLO O=C(C[N@H+]1CCCC[C@H]1c1ccnc(Nc2ccccn2)n1)N1CCCC1 ZINC000072377581 507781277 /nfs/dbraw/zinc/78/12/77/507781277.db2.gz BTRMHNRMMLHQQN-KRWDZBQOSA-N 1 2 366.469 2.765 40 0 FFABLO COc1ccc([C@@H]([NH3+])c2n[nH]c(CCNc3cccc(OC)c3)n2)cc1 ZINC000095533697 508198030 /nfs/dbraw/zinc/19/80/30/508198030.db2.gz IDBPXGCJVDGKQO-GOSISDBHSA-N 1 2 353.426 2.525 40 0 FFABLO COc1ccc([C@@H]([NH3+])c2nnc(-c3cc(OC)c(OC)c(OC)c3)[nH]2)cc1 ZINC000095533661 508198079 /nfs/dbraw/zinc/19/80/79/508198079.db2.gz YPUXRPOICFNCEG-MRXNPFEDSA-N 1 2 370.409 2.554 40 0 FFABLO O=C(c1cccs1)N1CCC2(CC1)C[N@H+](Cc1cccnc1)CCO2 ZINC000096048942 508204649 /nfs/dbraw/zinc/20/46/49/508204649.db2.gz BJUYQOZPZGEYIV-UHFFFAOYSA-N 1 2 357.479 2.650 40 0 FFABLO O=C(c1cccs1)N1CCC2(CC1)C[N@@H+](Cc1cccnc1)CCO2 ZINC000096048942 508204652 /nfs/dbraw/zinc/20/46/52/508204652.db2.gz BJUYQOZPZGEYIV-UHFFFAOYSA-N 1 2 357.479 2.650 40 0 FFABLO Cn1cccc1C(=O)NCC[C@H]1C[N@H+](Cc2cccs2)Cc2ccnn21 ZINC000248142376 509245323 /nfs/dbraw/zinc/24/53/23/509245323.db2.gz QTSFLEFKIYYLJH-HNNXBMFYSA-N 1 2 369.494 2.660 40 0 FFABLO Cn1cccc1C(=O)NCC[C@H]1C[N@@H+](Cc2cccs2)Cc2ccnn21 ZINC000248142376 509245325 /nfs/dbraw/zinc/24/53/25/509245325.db2.gz QTSFLEFKIYYLJH-HNNXBMFYSA-N 1 2 369.494 2.660 40 0 FFABLO Cc1ccc(OCCNC(=O)c2cccc(C[NH+]3CCOCC3)c2)cc1C ZINC000224345327 509357851 /nfs/dbraw/zinc/35/78/51/509357851.db2.gz VXNWLXBWAGMZBM-UHFFFAOYSA-N 1 2 368.477 2.944 40 0 FFABLO CCCO[C@](C)(CC)C(=O)Nc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000225730242 509386713 /nfs/dbraw/zinc/38/67/13/509386713.db2.gz VYBOFSRGDUWRBR-HXUWFJFHSA-N 1 2 364.486 2.931 40 0 FFABLO Cc1cncc(OCC[C@@H]2CCOC3(C[NH+](Cc4cccnc4)C3)C2)n1 ZINC000253600929 509902801 /nfs/dbraw/zinc/90/28/01/509902801.db2.gz DECHZAYZZJHSLO-QGZVFWFLSA-N 1 2 354.454 2.630 40 0 FFABLO O=C(Cc1ccsc1)N1Cc2c[nH+]cn2[C@@H](COc2ncccc2F)C1 ZINC000247806263 510870847 /nfs/dbraw/zinc/87/08/47/510870847.db2.gz BGPSVELOPWFKQP-OAHLLOKOSA-N 1 2 372.425 2.684 40 0 FFABLO COc1ccc(Nc2cc(-c3ccccc3)[nH+]c(NCCCO)n2)cc1F ZINC000329042564 534024805 /nfs/dbraw/zinc/02/48/05/534024805.db2.gz SNWGOXZHARBUDS-UHFFFAOYSA-N 1 2 368.412 2.673 40 0 FFABLO Cc1cc2nc(C3CC[NH+](Cc4ccnn4C(C)C)CC3)cc(=O)n2[nH]1 ZINC000257332489 534131897 /nfs/dbraw/zinc/13/18/97/534131897.db2.gz XXNCUQFBLLPHPQ-UHFFFAOYSA-N 1 2 354.458 2.900 40 0 FFABLO COC(=O)c1ccc(OC)c(Nc2cc(C3CC3)[nH+]c(NC(C)C)n2)c1 ZINC000328972630 534233585 /nfs/dbraw/zinc/23/35/85/534233585.db2.gz DWDQFEWOOWYILB-UHFFFAOYSA-N 1 2 356.426 2.557 40 0 FFABLO CCOC[C@H]1CCS(=O)(=O)C12C[NH+](Cc1cccc3ccccc31)C2 ZINC000585103860 518538731 /nfs/dbraw/zinc/53/87/31/518538731.db2.gz SKJFZEADMYFUKW-GOSISDBHSA-N 1 2 359.491 2.865 40 0 FFABLO c1ccc(O[C@H]2CCOC3(C[NH+](Cc4ccc5c(c4)OCO5)C3)C2)nc1 ZINC000585105250 518541239 /nfs/dbraw/zinc/54/12/39/518541239.db2.gz RNSQIDRPVOCPGM-INIZCTEOSA-N 1 2 354.406 2.623 40 0 FFABLO Cc1[nH+]cc(-c2cncc(C[C@@H]3CCCN(C(=O)C4CCC4)C3)n2)n1C ZINC000257204447 534722158 /nfs/dbraw/zinc/72/21/58/534722158.db2.gz AUQSDUWXQFNYQC-HNNXBMFYSA-N 1 2 353.470 2.767 40 0 FFABLO O=C(NCc1ccc(-n2cc[nH+]c2)cc1)c1ccc(CN2CCCC2=O)cc1 ZINC000020483193 526649430 /nfs/dbraw/zinc/64/94/30/526649430.db2.gz YRVBTNLIBQQNJL-UHFFFAOYSA-N 1 2 374.444 2.925 40 0 FFABLO CC(C)c1nnc(CCC(=O)N(C)[C@@H]2CCCN(c3cccc[nH+]3)C2)o1 ZINC000257340579 534952599 /nfs/dbraw/zinc/95/25/99/534952599.db2.gz ZGTRBNPUDFWYAW-OAHLLOKOSA-N 1 2 357.458 2.648 40 0 FFABLO CCOC[C@H]1Cc2c([nH+]cn2C)CN1C(=O)c1cn(C)c2ccccc12 ZINC000585094550 571219555 /nfs/dbraw/zinc/21/95/55/571219555.db2.gz ARYZKZVCRJTRPT-CQSZACIVSA-N 1 2 352.438 2.515 40 0 FFABLO O=C(Cc1cccs1)N1Cc2c[nH+]cn2[C@@H](COc2ncccc2F)C1 ZINC000247871002 222952995 /nfs/dbraw/zinc/95/29/95/222952995.db2.gz QSGCCUFZEFAKCG-CQSZACIVSA-N 1 2 372.425 2.684 40 0 FFABLO Cc1noc(C)c1-c1cccc(C[C@@H]2CCN(C(=O)Cn3cc[nH+]c3)C2)n1 ZINC000257209123 223019452 /nfs/dbraw/zinc/01/94/52/223019452.db2.gz BPDICPLKSGMVNV-INIZCTEOSA-N 1 2 365.437 2.641 40 0 FFABLO Cc1cn(C)c([C@@H]2CCCN(C(=O)c3cc4c([nH]c3=O)CCCC4)C2)[nH+]1 ZINC000257226397 223027743 /nfs/dbraw/zinc/02/77/43/223027743.db2.gz FKMTWDDPQNMLBI-OAHLLOKOSA-N 1 2 354.454 2.728 40 0 FFABLO Cc1cc(NC2CC3(C2)CCN(C(=O)CCc2cccnc2)C3)nc[nH+]1 ZINC000257328800 223068731 /nfs/dbraw/zinc/06/87/31/223068731.db2.gz XHECGLCEXQGYLB-UHFFFAOYSA-N 1 2 351.454 2.606 40 0 FFABLO CCn1cc(C[N@@H+]2CCO[C@H](c3cccc(-c4cnn(C)c4)n3)C2)c(C)n1 ZINC000257335978 223071114 /nfs/dbraw/zinc/07/11/14/223071114.db2.gz YMQIWVXCNYXJGI-FQEVSTJZSA-N 1 2 366.469 2.580 40 0 FFABLO CCn1cc(C[N@H+]2CCO[C@H](c3cccc(-c4cnn(C)c4)n3)C2)c(C)n1 ZINC000257335978 223071117 /nfs/dbraw/zinc/07/11/17/223071117.db2.gz YMQIWVXCNYXJGI-FQEVSTJZSA-N 1 2 366.469 2.580 40 0 FFABLO c1coc(C[N@@H+]2CCO[C@H](c3nnn4cc(-c5cccnc5)ccc34)C2)c1 ZINC000306132968 223110393 /nfs/dbraw/zinc/11/03/93/223110393.db2.gz LXTRWEDIZACVEF-IBGZPJMESA-N 1 2 361.405 2.958 40 0 FFABLO c1coc(C[N@H+]2CCO[C@H](c3nnn4cc(-c5cccnc5)ccc34)C2)c1 ZINC000306132968 223110397 /nfs/dbraw/zinc/11/03/97/223110397.db2.gz LXTRWEDIZACVEF-IBGZPJMESA-N 1 2 361.405 2.958 40 0 FFABLO OCCNc1nc(Nc2cccc(SC(F)(F)F)c2)cc(C2CC2)[nH+]1 ZINC000329021290 223130060 /nfs/dbraw/zinc/13/00/60/223130060.db2.gz OFQROOISUIOIIZ-UHFFFAOYSA-N 1 2 370.400 2.958 40 0 FFABLO COC(=O)[C@@H]1Cc2[nH]c[nH+]c2CN1C(=O)c1ccc(-c2ccccc2)cc1 ZINC000015707119 220161359 /nfs/dbraw/zinc/16/13/59/220161359.db2.gz CGXLVPBKZHGITR-IBGZPJMESA-N 1 2 361.401 2.817 40 0 biogenic,in-vitro FFABLO COC(=O)[C@@H]1Cc2[nH+]c[nH]c2CN1C(=O)c1ccc(-c2ccccc2)cc1 ZINC000015707119 220161362 /nfs/dbraw/zinc/16/13/62/220161362.db2.gz CGXLVPBKZHGITR-IBGZPJMESA-N 1 2 361.401 2.817 40 0 biogenic,in-vitro FFABLO Cc1[nH+]c([C@@H]2CCCN(C(=O)COC[C@H]3CCCO3)C2)c2sccn12 ZINC000019240752 220243295 /nfs/dbraw/zinc/24/32/95/220243295.db2.gz ZCYCRAQDOASJFZ-HUUCEWRRSA-N 1 2 363.483 2.606 40 0 FFABLO CC(C)c1ccc(C(=O)N[C@H](c2[nH+]ccn2C)c2ccc(F)cc2)c(=O)[nH]1 ZINC000019453113 220257896 /nfs/dbraw/zinc/25/78/96/220257896.db2.gz VMAGDFVDYAZKNU-KRWDZBQOSA-N 1 2 368.412 2.890 40 0 FFABLO Cc1nc(C2CCN(C(=O)Cn3cc[nH+]c3)CC2)sc1-c1ccncn1 ZINC000019560684 220271591 /nfs/dbraw/zinc/27/15/91/220271591.db2.gz NSOTVSGYHFRGGY-UHFFFAOYSA-N 1 2 368.466 2.511 40 0 FFABLO O=C(Nc1nc(C[NH+]2CCCCC2)cs1)[C@H]1COc2ccccc2O1 ZINC000069296911 221324157 /nfs/dbraw/zinc/32/41/57/221324157.db2.gz HXVQJHAQBFCIAW-MRXNPFEDSA-N 1 2 359.451 2.908 40 0 FFABLO C[C@H](Oc1ccccc1)C(=O)Nc1c[nH+]c(N2CCCCC2)nc1N(C)C ZINC000224356788 132283323 /nfs/dbraw/zinc/28/33/23/132283323.db2.gz IVMCLUHLKFCOQS-HNNXBMFYSA-N 1 2 369.469 2.939 40 0 FFABLO c1cc(C[NH+]2CCN(c3nccn4c(-c5ccncc5)cnc34)CC2)co1 ZINC000306136802 132301827 /nfs/dbraw/zinc/30/18/27/132301827.db2.gz QDPYBAYRHYXLQC-UHFFFAOYSA-N 1 2 360.421 2.707 40 0 FFABLO CCC[C@@H](c1nnnn1C[C@H]1CCCO1)[NH+]1CCN(c2ccccc2)CC1 ZINC000057670300 136130030 /nfs/dbraw/zinc/13/00/30/136130030.db2.gz YTMVMNAFXNQTGJ-MOPGFXCFSA-N 1 2 370.501 2.516 40 0 FFABLO COc1ccc2[nH]c(CO[C@H]3C[N@H+](Cc4cccnc4)C[C@H]3F)nc2c1 ZINC000096112266 222029345 /nfs/dbraw/zinc/02/93/45/222029345.db2.gz RRMKUBKJUCYIRB-QAPCUYQASA-N 1 2 356.401 2.706 40 0 biogenic,in-vitro FFABLO COc1ccc2[nH]c(CO[C@H]3C[N@@H+](Cc4cccnc4)C[C@H]3F)nc2c1 ZINC000096112266 222029348 /nfs/dbraw/zinc/02/93/48/222029348.db2.gz RRMKUBKJUCYIRB-QAPCUYQASA-N 1 2 356.401 2.706 40 0 biogenic,in-vitro FFABLO C[N@H+](Cc1cn2c(n1)CN(Cc1cccs1)CC2)Cc1cccnc1 ZINC000096059541 222007270 /nfs/dbraw/zinc/00/72/70/222007270.db2.gz ZYWIUALISUJVTD-UHFFFAOYSA-N 1 2 353.495 2.987 40 0 FFABLO C[N@@H+](Cc1cn2c(n1)CN(Cc1cccs1)CC2)Cc1cccnc1 ZINC000096059541 222007271 /nfs/dbraw/zinc/00/72/71/222007271.db2.gz ZYWIUALISUJVTD-UHFFFAOYSA-N 1 2 353.495 2.987 40 0 FFABLO c1cc(CN2CCc3[nH+]c(N4CCCC4)nc(NC4CC4)c3C2)ccn1 ZINC000096254113 222102426 /nfs/dbraw/zinc/10/24/26/222102426.db2.gz HXTFMCSZGBHMKN-UHFFFAOYSA-N 1 2 350.470 2.604 40 0 FFABLO Cc1ccsc1C(=O)N1CCCn2c(C[NH+]3CCCCC3)nnc2C1 ZINC000096259681 222102869 /nfs/dbraw/zinc/10/28/69/222102869.db2.gz ZSMLYYDAOXICGS-UHFFFAOYSA-N 1 2 359.499 2.680 40 0 FFABLO Cc1c[nH+]c2n1CCN(C)C21CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000096144964 222047775 /nfs/dbraw/zinc/04/77/75/222047775.db2.gz LPDXIHZUYLBRSD-UHFFFAOYSA-N 1 2 358.873 2.922 40 0 FFABLO COc1cccc(C[N@@H+]2CCN(C(=O)COc3ccccc3)[C@@H](C)C2)c1 ZINC000019575578 263374511 /nfs/dbraw/zinc/37/45/11/263374511.db2.gz RYKOXWOHNARXAH-KRWDZBQOSA-N 1 2 354.450 2.807 40 0 FFABLO COc1cccc(C[N@H+]2CCN(C(=O)COc3ccccc3)[C@@H](C)C2)c1 ZINC000019575578 263374512 /nfs/dbraw/zinc/37/45/12/263374512.db2.gz RYKOXWOHNARXAH-KRWDZBQOSA-N 1 2 354.450 2.807 40 0 FFABLO CC(C)n1c(SCc2ccccc2)nnc1[C@@H]1CCC[N@H+](CC(N)=O)C1 ZINC000005001421 506414244 /nfs/dbraw/zinc/41/42/44/506414244.db2.gz HBUWKMIAZQKPFS-MRXNPFEDSA-N 1 2 373.526 2.816 40 0 FFABLO CC(C)n1c(SCc2ccccc2)nnc1[C@@H]1CCC[N@@H+](CC(N)=O)C1 ZINC000005001421 506414251 /nfs/dbraw/zinc/41/42/51/506414251.db2.gz HBUWKMIAZQKPFS-MRXNPFEDSA-N 1 2 373.526 2.816 40 0 FFABLO Cc1cc(-c2c[nH]nc2[C@@H]2CCC[N@H+](CC(=O)Nc3nccs3)C2)on1 ZINC000012087329 506814393 /nfs/dbraw/zinc/81/43/93/506814393.db2.gz BMCYXPHZZYYLCD-GFCCVEGCSA-N 1 2 372.454 2.648 40 0 FFABLO Cc1cc(-c2c[nH]nc2[C@@H]2CCC[N@@H+](CC(=O)Nc3nccs3)C2)on1 ZINC000012087329 506814395 /nfs/dbraw/zinc/81/43/95/506814395.db2.gz BMCYXPHZZYYLCD-GFCCVEGCSA-N 1 2 372.454 2.648 40 0 FFABLO CCc1[nH]c2ccc(NC(=O)c3sc4ncn(C)c(=O)c4c3C)cc2[nH+]1 ZINC000012116926 506817607 /nfs/dbraw/zinc/81/76/07/506817607.db2.gz ZMYCYSPVNHDFIV-UHFFFAOYSA-N 1 2 367.434 2.994 40 0 FFABLO Cc1cccc(C[NH+]2CCC(c3nnsc3S(C)(=O)=O)CC2)c1 ZINC000012121301 506818959 /nfs/dbraw/zinc/81/89/59/506818959.db2.gz LJMDKNLEYMMUSZ-UHFFFAOYSA-N 1 2 351.497 2.630 40 0 FFABLO COc1ccc(C[N@@H+](Cc2cnn(C)c2C)C[C@H]2CCCO2)c(OC)c1 ZINC000012187186 506829015 /nfs/dbraw/zinc/82/90/15/506829015.db2.gz HQOFOJIXEFVTTB-LJQANCHMSA-N 1 2 359.470 2.927 40 0 FFABLO COc1ccc(C[N@H+](Cc2cnn(C)c2C)C[C@H]2CCCO2)c(OC)c1 ZINC000012187186 506829025 /nfs/dbraw/zinc/82/90/25/506829025.db2.gz HQOFOJIXEFVTTB-LJQANCHMSA-N 1 2 359.470 2.927 40 0 FFABLO CC(=O)N1CCC[C@@H]1c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)[nH+]c1 ZINC000072216395 507770997 /nfs/dbraw/zinc/77/09/97/507770997.db2.gz JMQODWXEEZCPHB-QGZVFWFLSA-N 1 2 374.485 2.822 40 0 FFABLO CC(C)(C)OC(=O)N1CCN(c2[nH+]cccc2[C@@H]2CCCCN2C=O)CC1 ZINC000072216494 507771037 /nfs/dbraw/zinc/77/10/37/507771037.db2.gz HDFPWZWTHUYJBF-KRWDZBQOSA-N 1 2 374.485 2.822 40 0 FFABLO CC[C@@H](C)NC(=O)C[N@@H+]1CCC[C@H](n2c(=O)oc3ccc(Cl)cc32)C1 ZINC000072347836 507778652 /nfs/dbraw/zinc/77/86/52/507778652.db2.gz YEIZWHGFDJNFSV-OCCSQVGLSA-N 1 2 365.861 2.800 40 0 FFABLO CC[C@@H](C)NC(=O)C[N@H+]1CCC[C@H](n2c(=O)oc3ccc(Cl)cc32)C1 ZINC000072347836 507778656 /nfs/dbraw/zinc/77/86/56/507778656.db2.gz YEIZWHGFDJNFSV-OCCSQVGLSA-N 1 2 365.861 2.800 40 0 FFABLO CCOc1cc([C@H]([NH3+])c2nc(CNc3ccccc3)n[nH]2)ccc1OC ZINC000095534396 508197630 /nfs/dbraw/zinc/19/76/30/508197630.db2.gz ZAVNJLYZXUOWMJ-SFHVURJKSA-N 1 2 353.426 2.872 40 0 FFABLO CCOc1cc([C@H]([NH3+])c2nnc(CNc3ccccc3)[nH]2)ccc1OC ZINC000095534396 508197631 /nfs/dbraw/zinc/19/76/31/508197631.db2.gz ZAVNJLYZXUOWMJ-SFHVURJKSA-N 1 2 353.426 2.872 40 0 FFABLO CCOc1cc([C@H]([NH3+])c2n[nH]c(CNc3ccccc3)n2)ccc1OC ZINC000095534396 508197632 /nfs/dbraw/zinc/19/76/32/508197632.db2.gz ZAVNJLYZXUOWMJ-SFHVURJKSA-N 1 2 353.426 2.872 40 0 FFABLO COC[C@@H]1CN(C(=O)Cc2ccc(F)cc2)Cc2[nH+]cn(CC3CC3)c21 ZINC000096045092 508203447 /nfs/dbraw/zinc/20/34/47/508203447.db2.gz FCIPQQIFMYDDJD-INIZCTEOSA-N 1 2 357.429 2.747 40 0 FFABLO COc1ccc(C[NH+]2CC3(C2)OCC[C@@H]3COCc2cccnc2)cc1 ZINC000247918102 509192325 /nfs/dbraw/zinc/19/23/25/509192325.db2.gz WQFVOTPNJWZJSO-LJQANCHMSA-N 1 2 354.450 2.898 40 0 FFABLO CCC(=O)N1c2ccccc2-c2c(=O)[nH]c(SC)n[n+]2[C@H]1c1ccco1 ZINC000261365269 509987018 /nfs/dbraw/zinc/98/70/18/509987018.db2.gz RAAARIRFIUDFSX-KRWDZBQOSA-O 1 2 369.426 2.755 40 0 FFABLO Cc1c(C[N@@H+]2Cc3ccnn3CC[C@@H]2COCC2CCCC2)cnn1C ZINC000585097118 518533186 /nfs/dbraw/zinc/53/31/86/518533186.db2.gz HOOVEOKVWIHBDB-HXUWFJFHSA-N 1 2 357.502 2.906 40 0 FFABLO Cc1c(C[N@H+]2Cc3ccnn3CC[C@@H]2COCC2CCCC2)cnn1C ZINC000585097118 518533192 /nfs/dbraw/zinc/53/31/92/518533192.db2.gz HOOVEOKVWIHBDB-HXUWFJFHSA-N 1 2 357.502 2.906 40 0 FFABLO C[C@H]1c2ncc(CCOc3cc[nH+]cc3)n2CCN1C(=O)c1ccco1 ZINC000585098711 518535103 /nfs/dbraw/zinc/53/51/03/518535103.db2.gz XTXAAGBWILHXHP-AWEZNQCLSA-N 1 2 352.394 2.710 40 0 FFABLO CC1CCN(C(=O)[C@H]2C[N@H+](Cc3cccs3)Cc3ncn(C)c32)CC1 ZINC000585110802 518542732 /nfs/dbraw/zinc/54/27/32/518542732.db2.gz ITHYZPRIABVEFF-INIZCTEOSA-N 1 2 358.511 2.840 40 0 FFABLO CC1CCN(C(=O)[C@H]2C[N@@H+](Cc3cccs3)Cc3ncn(C)c32)CC1 ZINC000585110802 518542744 /nfs/dbraw/zinc/54/27/44/518542744.db2.gz ITHYZPRIABVEFF-INIZCTEOSA-N 1 2 358.511 2.840 40 0 FFABLO CO[C@@H]1CN(C(=O)CCCn2cc[nH+]c2)CC[C@@H]1Cc1cccc(F)c1 ZINC000585279391 518553880 /nfs/dbraw/zinc/55/38/80/518553880.db2.gz LFRMTFQNUUHGNJ-IEBWSBKVSA-N 1 2 359.445 2.909 40 0 FFABLO CCn1c2ccccc2[nH+]c1N1CCC[C@@H](C(=O)NC[C@H]2CCCO2)C1 ZINC000245227217 523285071 /nfs/dbraw/zinc/28/50/71/523285071.db2.gz GLTPYTMUERUMBP-HZPDHXFCSA-N 1 2 356.470 2.568 40 0 FFABLO CN(C)c1cc([C@H]2CCCN2C(=O)c2ccc3c(c2)OCCO3)cc[nH+]1 ZINC000257282619 529774264 /nfs/dbraw/zinc/77/42/64/529774264.db2.gz OUNKBTLRIWIPCQ-MRXNPFEDSA-N 1 2 353.422 2.896 40 0 FFABLO CNc1nc(NC[C@@H]2CCCO2)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1 ZINC000329066278 529833018 /nfs/dbraw/zinc/83/30/18/529833018.db2.gz XYSJUEFLCIVBLJ-ZDUSSCGKSA-N 1 2 368.359 2.519 40 0 FFABLO Cc1ccccc1C[N@@H+]1CCO[C@H](c2cncc(Nc3ncccn3)n2)C1 ZINC000257214441 223022973 /nfs/dbraw/zinc/02/29/73/223022973.db2.gz CMACXJOLLPEZGG-SFHVURJKSA-N 1 2 362.437 2.892 40 0 FFABLO Cc1ccccc1C[N@H+]1CCO[C@H](c2cncc(Nc3ncccn3)n2)C1 ZINC000257214441 223022978 /nfs/dbraw/zinc/02/29/78/223022978.db2.gz CMACXJOLLPEZGG-SFHVURJKSA-N 1 2 362.437 2.892 40 0 FFABLO CN(C)C(=O)c1sc2ncccc2c1[C@@H]1CC[N@H+](Cc2cnc[nH]2)C1 ZINC000257240122 223033959 /nfs/dbraw/zinc/03/39/59/223033959.db2.gz HSDLSZANKZWMNT-GFCCVEGCSA-N 1 2 355.467 2.711 40 0 FFABLO CN(C)C(=O)c1sc2ncccc2c1[C@@H]1CC[N@@H+](Cc2cnc[nH]2)C1 ZINC000257240122 223033962 /nfs/dbraw/zinc/03/39/62/223033962.db2.gz HSDLSZANKZWMNT-GFCCVEGCSA-N 1 2 355.467 2.711 40 0 FFABLO Cc1ccc(NC(=O)C[N@@H+]2CC[C@](C)(O)[C@@H](Oc3cccc(F)c3)C2)cc1 ZINC000257287228 223051673 /nfs/dbraw/zinc/05/16/73/223051673.db2.gz PPBZMZTXAQKVBJ-FPOVZHCZSA-N 1 2 372.440 2.977 40 0 FFABLO Cc1ccc(NC(=O)C[N@H+]2CC[C@](C)(O)[C@@H](Oc3cccc(F)c3)C2)cc1 ZINC000257287228 223051675 /nfs/dbraw/zinc/05/16/75/223051675.db2.gz PPBZMZTXAQKVBJ-FPOVZHCZSA-N 1 2 372.440 2.977 40 0 FFABLO Cc1noc(C)c1-c1cccc([C@H]2CN(Cc3cn(C)c[nH+]3)CCO2)n1 ZINC000257329242 223068495 /nfs/dbraw/zinc/06/84/95/223068495.db2.gz XJBNBWSAIQJAJS-GOSISDBHSA-N 1 2 353.426 2.660 40 0 FFABLO Cc1cnc(NCC[C@@H]2CCOC23C[NH+](Cc2cnn(C(C)C)c2)C3)nc1 ZINC000306124674 223107365 /nfs/dbraw/zinc/10/73/65/223107365.db2.gz BWGUZJPGQAMZNE-GOSISDBHSA-N 1 2 370.501 2.656 40 0 FFABLO C[C@H](CO)Nc1nc(NCc2ccc(F)cc2)cc(-c2ccccc2)[nH+]1 ZINC000329009692 223129009 /nfs/dbraw/zinc/12/90/09/223129009.db2.gz LXBVXIQQLQXMKY-CQSZACIVSA-N 1 2 352.413 2.531 40 0 FFABLO FC(F)(F)Oc1ccc(-c2noc([C@@H]3Cc4[nH+]c[nH]c4CN3)n2)cc1 ZINC000015675822 220160700 /nfs/dbraw/zinc/16/07/00/220160700.db2.gz PDGAZVHHGIOANN-NSHDSACASA-N 1 2 351.288 2.745 40 0 biogenic,in-vitro FFABLO C[N@@H+]1CCCC[C@H]1c1ncc2c(n1)CCN(C(=O)Cc1ccc(F)cc1)C2 ZINC000019588918 220278796 /nfs/dbraw/zinc/27/87/96/220278796.db2.gz QYKBFANCVXLUBP-IBGZPJMESA-N 1 2 368.456 2.900 40 0 FFABLO C[N@H+]1CCCC[C@H]1c1ncc2c(n1)CCN(C(=O)Cc1ccc(F)cc1)C2 ZINC000019588918 220278799 /nfs/dbraw/zinc/27/87/99/220278799.db2.gz QYKBFANCVXLUBP-IBGZPJMESA-N 1 2 368.456 2.900 40 0 FFABLO O=C(NCc1ccccc1)[C@H]1C[C@@H]2C[N@@H+](Cc3ccccc3F)C[C@H]1O2 ZINC000096253441 222102083 /nfs/dbraw/zinc/10/20/83/222102083.db2.gz DXBKBVRHGRNDPT-WSTZPKSXSA-N 1 2 354.425 2.731 40 0 FFABLO O=C(NCc1ccccc1)[C@H]1C[C@@H]2C[N@H+](Cc3ccccc3F)C[C@H]1O2 ZINC000096253441 222102087 /nfs/dbraw/zinc/10/20/87/222102087.db2.gz DXBKBVRHGRNDPT-WSTZPKSXSA-N 1 2 354.425 2.731 40 0 FFABLO Cn1c[nH+]c2c1[C@H](COCc1ccccc1)N(C(=O)c1ccco1)CC2 ZINC000096187738 222070415 /nfs/dbraw/zinc/07/04/15/222070415.db2.gz OMHMMMCZELSSPN-KRWDZBQOSA-N 1 2 351.406 2.970 40 0 FFABLO O=C(c1cccs1)N1Cc2c[nH+]cn2C[C@H](COc2ccccn2)C1 ZINC000096208018 222078209 /nfs/dbraw/zinc/07/82/09/222078209.db2.gz XSLOCPQHFUNILD-CQSZACIVSA-N 1 2 354.435 2.691 40 0 FFABLO COc1ccc(C(=O)N2CC3(C2)OCC[C@H]3CCNc2cccc[nH+]2)cc1 ZINC000248153570 509249801 /nfs/dbraw/zinc/24/98/01/509249801.db2.gz XXEORARHGGYXFL-QGZVFWFLSA-N 1 2 367.449 2.824 40 0 FFABLO c1cnc(O[C@H]2CCOC3(C[NH+](Cc4ccc5ccccc5n4)C3)C2)nc1 ZINC000248334103 509271772 /nfs/dbraw/zinc/27/17/72/509271772.db2.gz LACCFJVCTKORRS-SFHVURJKSA-N 1 2 362.433 2.837 40 0 FFABLO CCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N[C@H]2c1cccc(O)c1 ZINC000261362008 509985843 /nfs/dbraw/zinc/98/58/43/509985843.db2.gz BSSKSMLBPQJGSL-MRXNPFEDSA-O 1 2 353.427 2.927 40 0 FFABLO COc1cccc(-c2noc(C3CC[NH+](Cc4nccn4C)CC3)n2)c1 ZINC000174854756 510346277 /nfs/dbraw/zinc/34/62/77/510346277.db2.gz DQPUVTFLLAWDFY-UHFFFAOYSA-N 1 2 353.426 2.858 40 0 FFABLO O=C(Cc1ccsc1)N1Cc2c[nH+]cn2[C@H](COc2ncccc2F)C1 ZINC000247806261 510870845 /nfs/dbraw/zinc/87/08/45/510870845.db2.gz BGPSVELOPWFKQP-HNNXBMFYSA-N 1 2 372.425 2.684 40 0 FFABLO Cc1nc2cc(NC(=O)N3CCN(c4cccc[nH+]4)CC3)ccc2n1C ZINC000409132618 513099383 /nfs/dbraw/zinc/09/93/83/513099383.db2.gz QPYJCIUWXFUAKM-UHFFFAOYSA-N 1 2 350.426 2.631 40 0 FFABLO CC(C)Nc1cc(-c2cccc(OC(F)(F)F)c2)[nH+]c(NCCCO)n1 ZINC000329028003 529115402 /nfs/dbraw/zinc/11/54/02/529115402.db2.gz PTSLJHUUVDXGDF-UHFFFAOYSA-N 1 2 370.375 2.501 40 0 FFABLO COc1ccc(Nc2cc(C3CC3)[nH+]c(N[C@H](CO)C(C)C)n2)c(OC)c1 ZINC000328991027 571133852 /nfs/dbraw/zinc/13/38/52/571133852.db2.gz IRPOHGFHNOKMEH-QGZVFWFLSA-N 1 2 372.469 3.544 40 0 FFABLO O=C(c1cc([C@@H]2CCCC[N@H+]2Cc2ccc(F)cc2)[nH]n1)N1CCOCC1 ZINC000072380527 571188188 /nfs/dbraw/zinc/18/81/88/571188188.db2.gz MMAQMFKKKJNSBX-IBGZPJMESA-N 1 2 372.444 2.748 40 0 FFABLO O=C(c1cc([C@@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)[nH]n1)N1CCOCC1 ZINC000072380527 571188189 /nfs/dbraw/zinc/18/81/89/571188189.db2.gz MMAQMFKKKJNSBX-IBGZPJMESA-N 1 2 372.444 2.748 40 0 FFABLO O=C1N(c2cccnc2)CC[C@@]12C[N@@H+](Cc1ccncc1)CC(F)(F)C2 ZINC000585093135 571219090 /nfs/dbraw/zinc/21/90/90/571219090.db2.gz DVTLKNIRTSMNLI-GOSISDBHSA-N 1 2 358.392 2.741 40 0 FFABLO O=C1N(c2cccnc2)CC[C@@]12C[N@H+](Cc1ccncc1)CC(F)(F)C2 ZINC000585093135 571219092 /nfs/dbraw/zinc/21/90/92/571219092.db2.gz DVTLKNIRTSMNLI-GOSISDBHSA-N 1 2 358.392 2.741 40 0 FFABLO CCOC[C@H]1Cc2c([nH+]cn2C)CN1C(=O)c1ccc(F)c(Cl)c1 ZINC000585094601 571219503 /nfs/dbraw/zinc/21/95/03/571219503.db2.gz DPTLWMHSJUSROI-GFCCVEGCSA-N 1 2 351.809 2.816 40 0 FFABLO CC(C)n1cc(C[N@H+]2Cc3ccnn3C[C@H](OCc3ccncc3)C2)cn1 ZINC000306130050 203787242 /nfs/dbraw/zinc/78/72/42/203787242.db2.gz IVAULIHRVRQSNV-HXUWFJFHSA-N 1 2 366.469 2.657 40 0 FFABLO CC(C)n1cc(C[N@@H+]2Cc3ccnn3C[C@H](OCc3ccncc3)C2)cn1 ZINC000306130050 203787244 /nfs/dbraw/zinc/78/72/44/203787244.db2.gz IVAULIHRVRQSNV-HXUWFJFHSA-N 1 2 366.469 2.657 40 0 FFABLO Nc1ccc(S(=O)(=O)Nc2nc(C[NH+]3CCCCC3)cs2)cc1 ZINC000001683545 204017206 /nfs/dbraw/zinc/01/72/06/204017206.db2.gz NQONZXSQDVZTSW-UHFFFAOYSA-N 1 2 352.485 2.512 40 0 FFABLO COc1cccc(C[N@@H+]2CCN3C(=O)N(Cc4ccc(C)cc4)C[C@H]3C2)n1 ZINC000085436242 205170209 /nfs/dbraw/zinc/17/02/09/205170209.db2.gz OAFLABPMHTVFIP-LJQANCHMSA-N 1 2 366.465 2.521 40 0 biogenic,in-vitro FFABLO COc1cccc(C[N@H+]2CCN3C(=O)N(Cc4ccc(C)cc4)C[C@H]3C2)n1 ZINC000085436242 205170214 /nfs/dbraw/zinc/17/02/14/205170214.db2.gz OAFLABPMHTVFIP-LJQANCHMSA-N 1 2 366.465 2.521 40 0 biogenic,in-vitro FFABLO O=C(NCc1nc(-c2cccs2)no1)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000065912660 205361121 /nfs/dbraw/zinc/36/11/21/205361121.db2.gz MMKYNLWQQWHNQA-UHFFFAOYSA-N 1 2 365.418 2.973 40 0 FFABLO COc1cccc(NC(=O)[C@]2(C)CCCN(c3cc(N(C)C)[nH+]cn3)C2)c1 ZINC000257305882 132296869 /nfs/dbraw/zinc/29/68/69/132296869.db2.gz SRXXMWOYKPXHEE-HXUWFJFHSA-N 1 2 369.469 2.796 40 0 FFABLO COc1cccc(NC(=O)[C@]2(C)CCCN(c3cc(N(C)C)nc[nH+]3)C2)c1 ZINC000257305882 132296870 /nfs/dbraw/zinc/29/68/70/132296870.db2.gz SRXXMWOYKPXHEE-HXUWFJFHSA-N 1 2 369.469 2.796 40 0 FFABLO Cc1ncsc1-c1ccc(C(=O)N2CCN(c3cccc[nH+]3)CC2)cn1 ZINC000257323872 132297152 /nfs/dbraw/zinc/29/71/52/132297152.db2.gz WMEPSBIMUWVAEK-UHFFFAOYSA-N 1 2 365.462 2.871 40 0 FFABLO CC(C)[C@@H](CO)Nc1cc(N2CCc3cc([C@H](C)O)ccc3C2)nc[nH+]1 ZINC000329063891 132372939 /nfs/dbraw/zinc/37/29/39/132372939.db2.gz XGGAOKZVEVMQSL-KBXCAEBGSA-N 1 2 356.470 2.521 40 0 FFABLO CC(C)[C@@H](CO)Nc1cc(N2CCc3cc([C@H](C)O)ccc3C2)[nH+]cn1 ZINC000329063891 132372940 /nfs/dbraw/zinc/37/29/40/132372940.db2.gz XGGAOKZVEVMQSL-KBXCAEBGSA-N 1 2 356.470 2.521 40 0 FFABLO Cc1cc(-c2c[nH]nc2[C@H]2CCC[N@H+](CC(=O)Nc3nccs3)C2)on1 ZINC000012087330 506813947 /nfs/dbraw/zinc/81/39/47/506813947.db2.gz BMCYXPHZZYYLCD-LBPRGKRZSA-N 1 2 372.454 2.648 40 0 FFABLO Cc1cc(-c2c[nH]nc2[C@H]2CCC[N@@H+](CC(=O)Nc3nccs3)C2)on1 ZINC000012087330 506813953 /nfs/dbraw/zinc/81/39/53/506813953.db2.gz BMCYXPHZZYYLCD-LBPRGKRZSA-N 1 2 372.454 2.648 40 0 FFABLO C[C@H]1CCCN(c2nc3c(c(=O)[nH]2)C[N@H+](Cc2c(F)cccc2F)CC3)C1 ZINC000012183127 506829874 /nfs/dbraw/zinc/82/98/74/506829874.db2.gz SRTODJWPLZHZBG-ZDUSSCGKSA-N 1 2 374.435 2.843 40 0 FFABLO C[C@H]1CCCN(c2nc3c(c(=O)[nH]2)C[N@@H+](Cc2c(F)cccc2F)CC3)C1 ZINC000012183127 506829878 /nfs/dbraw/zinc/82/98/78/506829878.db2.gz SRTODJWPLZHZBG-ZDUSSCGKSA-N 1 2 374.435 2.843 40 0 FFABLO CCc1c(C)nc2cc([C@H]3CC[N@H+](Cc4ccncc4C)C3)[nH]n2c1=O ZINC000012222244 506837382 /nfs/dbraw/zinc/83/73/82/506837382.db2.gz OQUUQGVOCBDWQM-INIZCTEOSA-N 1 2 351.454 2.999 40 0 FFABLO CCc1c(C)nc2cc([C@H]3CC[N@@H+](Cc4ccncc4C)C3)[nH]n2c1=O ZINC000012222244 506837389 /nfs/dbraw/zinc/83/73/89/506837389.db2.gz OQUUQGVOCBDWQM-INIZCTEOSA-N 1 2 351.454 2.999 40 0 FFABLO CS(=O)(=O)c1cc(Cl)cnc1[C@@H]1CCC[N@H+](Cc2ccncc2)C1 ZINC000019573334 507181334 /nfs/dbraw/zinc/18/13/34/507181334.db2.gz GZRQJHTZIMLYOP-CQSZACIVSA-N 1 2 365.886 2.913 40 0 FFABLO CS(=O)(=O)c1cc(Cl)cnc1[C@@H]1CCC[N@@H+](Cc2ccncc2)C1 ZINC000019573334 507181339 /nfs/dbraw/zinc/18/13/39/507181339.db2.gz GZRQJHTZIMLYOP-CQSZACIVSA-N 1 2 365.886 2.913 40 0 FFABLO CCc1[nH+]ccn1-c1cccc([C@@H]2CCCN(C(=O)c3c[nH]nc3C)C2)n1 ZINC000072378996 507781011 /nfs/dbraw/zinc/78/10/11/507781011.db2.gz IFTOMYIPCBNWKJ-OAHLLOKOSA-N 1 2 364.453 2.881 40 0 FFABLO O=C([C@H]1C[C@@H]2CC[N@@H+](Cc3ccc(F)c(F)c3)C[C@@H]2O1)N1CCCC1 ZINC000096043191 508203867 /nfs/dbraw/zinc/20/38/67/508203867.db2.gz JGAURMKERJKEFQ-QGTPRVQTSA-N 1 2 350.409 2.567 40 0 FFABLO O=C([C@H]1C[C@@H]2CC[N@H+](Cc3ccc(F)c(F)c3)C[C@@H]2O1)N1CCCC1 ZINC000096043191 508203869 /nfs/dbraw/zinc/20/38/69/508203869.db2.gz JGAURMKERJKEFQ-QGTPRVQTSA-N 1 2 350.409 2.567 40 0 FFABLO O=S(=O)(c1ccccc1)N1C[C@H]2C[N@@H+](Cc3ccc(Cl)cc3)[C@@H]2C1 ZINC000096244852 508212090 /nfs/dbraw/zinc/21/20/90/508212090.db2.gz PFKXLCLJBIBAAD-CRAIPNDOSA-N 1 2 362.882 2.845 40 0 FFABLO O=S(=O)(c1ccccc1)N1C[C@H]2C[N@H+](Cc3ccc(Cl)cc3)[C@@H]2C1 ZINC000096244852 508212091 /nfs/dbraw/zinc/21/20/91/508212091.db2.gz PFKXLCLJBIBAAD-CRAIPNDOSA-N 1 2 362.882 2.845 40 0 FFABLO O=C(c1ccncc1)N1CCC2(CCn3c(-c4ccncc4)c[nH+]c32)CC1 ZINC000096263430 508212796 /nfs/dbraw/zinc/21/27/96/508212796.db2.gz BVOOVBVPKIMTCQ-UHFFFAOYSA-N 1 2 359.433 2.918 40 0 FFABLO Cc1cc(C[N@H+]2Cc3cccn3[C@H](CCOCC3CCOCC3)C2)n(C)n1 ZINC000248001702 509212330 /nfs/dbraw/zinc/21/23/30/509212330.db2.gz APCFKCVVFZLQKG-HXUWFJFHSA-N 1 2 372.513 2.920 40 0 FFABLO Cc1cc(C[N@@H+]2Cc3cccn3[C@H](CCOCC3CCOCC3)C2)n(C)n1 ZINC000248001702 509212344 /nfs/dbraw/zinc/21/23/44/509212344.db2.gz APCFKCVVFZLQKG-HXUWFJFHSA-N 1 2 372.513 2.920 40 0 FFABLO CCO[C@@](C)(C(=O)Nc1ccc(OCC[NH+]2CCOCC2)cc1)C1CC1 ZINC000225723320 509385702 /nfs/dbraw/zinc/38/57/02/509385702.db2.gz OXMDEVGMEQOWBN-HXUWFJFHSA-N 1 2 362.470 2.541 40 0 FFABLO Cc1nc(Nc2cnccn2)cc([C@@H]2CCCC[N@H+]2Cc2ccnn2C)n1 ZINC000257206710 509957441 /nfs/dbraw/zinc/95/74/41/509957441.db2.gz BEQMBUYQAZERBZ-KRWDZBQOSA-N 1 2 364.457 2.779 40 0 FFABLO Cc1nc(Nc2cnccn2)cc([C@@H]2CCCC[N@@H+]2Cc2ccnn2C)n1 ZINC000257206710 509957449 /nfs/dbraw/zinc/95/74/49/509957449.db2.gz BEQMBUYQAZERBZ-KRWDZBQOSA-N 1 2 364.457 2.779 40 0 FFABLO Cc1cc(=O)[nH]c([C@H]2C[N@H+](Cc3c[nH]nc3-c3cccs3)CCO2)n1 ZINC000257235279 509961838 /nfs/dbraw/zinc/96/18/38/509961838.db2.gz GXDRFQZKQALUTL-CYBMUJFWSA-N 1 2 357.439 2.516 40 0 FFABLO Cc1cc(=O)[nH]c([C@H]2C[N@@H+](Cc3c[nH]nc3-c3cccs3)CCO2)n1 ZINC000257235279 509961845 /nfs/dbraw/zinc/96/18/45/509961845.db2.gz GXDRFQZKQALUTL-CYBMUJFWSA-N 1 2 357.439 2.516 40 0 FFABLO CN(C)C(=O)c1sc2ncccc2c1[C@H]1CC[N@H+](Cc2cnc[nH]2)C1 ZINC000257240123 509963644 /nfs/dbraw/zinc/96/36/44/509963644.db2.gz HSDLSZANKZWMNT-LBPRGKRZSA-N 1 2 355.467 2.711 40 0 FFABLO CN(C)C(=O)c1sc2ncccc2c1[C@H]1CC[N@@H+](Cc2cnc[nH]2)C1 ZINC000257240123 509963648 /nfs/dbraw/zinc/96/36/48/509963648.db2.gz HSDLSZANKZWMNT-LBPRGKRZSA-N 1 2 355.467 2.711 40 0 FFABLO Cc1cn(C)c([C@H]2CCCN(C(=O)CCn3ncc4ccccc43)C2)[nH+]1 ZINC000257243546 509964181 /nfs/dbraw/zinc/96/41/81/509964181.db2.gz IHMMBBFVJSTATK-KRWDZBQOSA-N 1 2 351.454 2.875 40 0 FFABLO O=C(c1ccsc1)N1CCC[C@H]1c1ccc(C[NH+]2CCOCC2)cn1 ZINC000257311005 509977395 /nfs/dbraw/zinc/97/73/95/509977395.db2.gz UHNLEFICQGKKTM-SFHVURJKSA-N 1 2 357.479 2.953 40 0 FFABLO CCOCC(=O)N1CCC2(Cc3[nH+]cc(-c4ccc(OC)cc4)n3C2)CC1 ZINC000306129901 511759811 /nfs/dbraw/zinc/75/98/11/511759811.db2.gz IPWUUGXQLXSNJV-UHFFFAOYSA-N 1 2 369.465 2.760 40 0 FFABLO CC(C)[C@@H](CO)Nc1nc(Nc2ccc3c(c2)OCO3)cc(C2CC2)[nH+]1 ZINC000329068776 511977314 /nfs/dbraw/zinc/97/73/14/511977314.db2.gz YSRIAJWKIZBJLZ-OAHLLOKOSA-N 1 2 356.426 3.255 40 0 FFABLO O=C(NCC[C@H]1C[N@H+](Cc2ccsc2)Cc2ccnn21)N1CCCC1 ZINC000585112237 518543848 /nfs/dbraw/zinc/54/38/48/518543848.db2.gz LQJCWUJKIFWXAO-INIZCTEOSA-N 1 2 359.499 2.697 40 0 FFABLO O=C(NCC[C@H]1C[N@@H+](Cc2ccsc2)Cc2ccnn21)N1CCCC1 ZINC000585112237 518543857 /nfs/dbraw/zinc/54/38/57/518543857.db2.gz LQJCWUJKIFWXAO-INIZCTEOSA-N 1 2 359.499 2.697 40 0 FFABLO CC(C)NC(=O)N[C@H]1C[C@@H](c2nc(-c3ccc(Cl)cc3)no2)[N@H+](C)C1 ZINC000012529809 206291416 /nfs/dbraw/zinc/29/14/16/206291416.db2.gz BAEBZZONOWJXHB-KBPBESRZSA-N 1 2 363.849 2.843 40 0 biogenic,in-vitro FFABLO CC(C)NC(=O)N[C@H]1C[C@@H](c2nc(-c3ccc(Cl)cc3)no2)[N@@H+](C)C1 ZINC000012529809 206291421 /nfs/dbraw/zinc/29/14/21/206291421.db2.gz BAEBZZONOWJXHB-KBPBESRZSA-N 1 2 363.849 2.843 40 0 biogenic,in-vitro FFABLO Fc1cccc2c1ncnc2N1CC[NH+](Cc2cn3ccccc3n2)CC1 ZINC000302677882 258107603 /nfs/dbraw/zinc/10/76/03/258107603.db2.gz NOUXUKKHNXELBY-UHFFFAOYSA-N 1 2 362.412 2.739 40 0 FFABLO COc1ccc(NC(=O)[C@]2(C)CCCN(c3cc(N(C)C)[nH+]cn3)C2)cc1 ZINC000257269789 132295965 /nfs/dbraw/zinc/29/59/65/132295965.db2.gz MRJKZPDKZWJGRK-HXUWFJFHSA-N 1 2 369.469 2.796 40 0 FFABLO COc1ccc(NC(=O)[C@]2(C)CCCN(c3cc(N(C)C)nc[nH+]3)C2)cc1 ZINC000257269789 132295966 /nfs/dbraw/zinc/29/59/66/132295966.db2.gz MRJKZPDKZWJGRK-HXUWFJFHSA-N 1 2 369.469 2.796 40 0 FFABLO Cc1nc(NC(=O)[C@@]2(C)CCCN(c3cc(N(C)C)[nH+]cn3)C2)sc1C ZINC000257285984 132296431 /nfs/dbraw/zinc/29/64/31/132296431.db2.gz PJRKVKYRIVGSLI-SFHVURJKSA-N 1 2 374.514 2.861 40 0 FFABLO Cc1nc(NC(=O)[C@@]2(C)CCCN(c3cc(N(C)C)nc[nH+]3)C2)sc1C ZINC000257285984 132296434 /nfs/dbraw/zinc/29/64/34/132296434.db2.gz PJRKVKYRIVGSLI-SFHVURJKSA-N 1 2 374.514 2.861 40 0 FFABLO COc1ccc(C[N@@H+]2CCc3c(nc(N4CCC[C@H](C)C4)[nH]c3=O)C2)cc1 ZINC000072347331 136144855 /nfs/dbraw/zinc/14/48/55/136144855.db2.gz ZCHWOMOUZAPLSR-HNNXBMFYSA-N 1 2 368.481 2.985 40 0 FFABLO COc1ccc(C[N@H+]2CCc3c(nc(N4CCC[C@H](C)C4)[nH]c3=O)C2)cc1 ZINC000072347331 136144856 /nfs/dbraw/zinc/14/48/56/136144856.db2.gz ZCHWOMOUZAPLSR-HNNXBMFYSA-N 1 2 368.481 2.985 40 0 FFABLO O=S1(=O)N=C([C@@H]2CCC[N@H+](Cc3ccncc3)C2)Nc2ccccc21 ZINC000019375684 507168999 /nfs/dbraw/zinc/16/89/99/507168999.db2.gz PHJKNMNDWLXWCZ-OAHLLOKOSA-N 1 2 356.451 2.507 40 0 FFABLO O=S1(=O)N=C([C@@H]2CCC[N@@H+](Cc3ccncc3)C2)Nc2ccccc21 ZINC000019375684 507169007 /nfs/dbraw/zinc/16/90/07/507169007.db2.gz PHJKNMNDWLXWCZ-OAHLLOKOSA-N 1 2 356.451 2.507 40 0 FFABLO CCc1[nH+]ccn1-c1cncc([C@@H]2CCCN2C(=O)Cc2cccnc2)n1 ZINC000072378576 507781327 /nfs/dbraw/zinc/78/13/27/507781327.db2.gz BDZRKFIPAIHEPC-KRWDZBQOSA-N 1 2 362.437 2.526 40 0 FFABLO Cc1ccc(OCCNC(=O)c2cccc(C[NH+]3CCOCC3)c2)cc1 ZINC000030757253 507812735 /nfs/dbraw/zinc/81/27/35/507812735.db2.gz YHJLCMCWHNUHKJ-UHFFFAOYSA-N 1 2 354.450 2.636 40 0 FFABLO COC[C@H]1CN(C(=O)Cc2cccc(F)c2)Cc2[nH+]cn(CC3CC3)c21 ZINC000096045081 508203849 /nfs/dbraw/zinc/20/38/49/508203849.db2.gz LFZMXDJWDIMLQN-MRXNPFEDSA-N 1 2 357.429 2.747 40 0 FFABLO Cn1nnc2c1[C@@H](COCc1cccnc1)C[N@H+](Cc1cccs1)C2 ZINC000096060724 508205219 /nfs/dbraw/zinc/20/52/19/508205219.db2.gz LLVLMCIZHJAERT-OAHLLOKOSA-N 1 2 355.467 2.588 40 0 FFABLO Cn1nnc2c1[C@@H](COCc1cccnc1)C[N@@H+](Cc1cccs1)C2 ZINC000096060724 508205221 /nfs/dbraw/zinc/20/52/21/508205221.db2.gz LLVLMCIZHJAERT-OAHLLOKOSA-N 1 2 355.467 2.588 40 0 FFABLO CC[N@@H+]1CCn2c(C)cnc2C12CCN(C(=O)c1cccc(OC)c1)CC2 ZINC000096145013 508208128 /nfs/dbraw/zinc/20/81/28/508208128.db2.gz VBSOFINHGJTUEF-UHFFFAOYSA-N 1 2 368.481 2.667 40 0 FFABLO CC[N@H+]1CCn2c(C)cnc2C12CCN(C(=O)c1cccc(OC)c1)CC2 ZINC000096145013 508208130 /nfs/dbraw/zinc/20/81/30/508208130.db2.gz VBSOFINHGJTUEF-UHFFFAOYSA-N 1 2 368.481 2.667 40 0 FFABLO CCN1CCn2c(C)c[nH+]c2C12CCN(C(=O)c1cccc(OC)c1)CC2 ZINC000096145013 508208131 /nfs/dbraw/zinc/20/81/31/508208131.db2.gz VBSOFINHGJTUEF-UHFFFAOYSA-N 1 2 368.481 2.667 40 0 FFABLO COC[C@H]1c2c(cnn2CC2CC2)CC[N@H+]1Cc1ccc2c(c1)OCO2 ZINC000096197860 508210475 /nfs/dbraw/zinc/21/04/75/508210475.db2.gz HDOQNRHSVKPHFW-KRWDZBQOSA-N 1 2 355.438 2.768 40 0 FFABLO COC[C@H]1c2c(cnn2CC2CC2)CC[N@@H+]1Cc1ccc2c(c1)OCO2 ZINC000096197860 508210478 /nfs/dbraw/zinc/21/04/78/508210478.db2.gz HDOQNRHSVKPHFW-KRWDZBQOSA-N 1 2 355.438 2.768 40 0 FFABLO O=C(NCC1CC1)C1=NO[C@]2(CC[N@@H+](Cc3ccc(Cl)c(F)c3)C2)C1 ZINC000096225503 508211010 /nfs/dbraw/zinc/21/10/10/508211010.db2.gz VWCDXIFMHLOEMW-GOSISDBHSA-N 1 2 365.836 2.726 40 0 FFABLO O=C(NCC1CC1)C1=NO[C@]2(CC[N@H+](Cc3ccc(Cl)c(F)c3)C2)C1 ZINC000096225503 508211014 /nfs/dbraw/zinc/21/10/14/508211014.db2.gz VWCDXIFMHLOEMW-GOSISDBHSA-N 1 2 365.836 2.726 40 0 FFABLO Cc1nc(C[N@@H+]2CCC[C@@]3(C2)COCCN(Cc2ccccn2)C3)cs1 ZINC000096229309 508211970 /nfs/dbraw/zinc/21/19/70/508211970.db2.gz ODCCHNZFEYSLPQ-FQEVSTJZSA-N 1 2 372.538 2.961 40 0 FFABLO Cc1nc(C[N@H+]2CCC[C@@]3(C2)COCCN(Cc2ccccn2)C3)cs1 ZINC000096229309 508211972 /nfs/dbraw/zinc/21/19/72/508211972.db2.gz ODCCHNZFEYSLPQ-FQEVSTJZSA-N 1 2 372.538 2.961 40 0 FFABLO O=C(c1ccncc1)N1CCC(F)(F)[C@]2(CCN(c3cccc[nH+]3)C2)C1 ZINC000096239619 508212178 /nfs/dbraw/zinc/21/21/78/508212178.db2.gz NHDDTLGCVPDHTF-SFHVURJKSA-N 1 2 358.392 2.855 40 0 FFABLO O=C(Nc1ccc(F)cc1)N1CCCn2nnc(C[NH+]3CCCCC3)c2C1 ZINC000096259596 508212651 /nfs/dbraw/zinc/21/26/51/508212651.db2.gz KODQSFXCOMYQQO-UHFFFAOYSA-N 1 2 372.448 2.841 40 0 FFABLO COc1ccc(S(=O)(=O)NCCCn2cc[nH+]c2)c(Cl)c1Cl ZINC000103248303 508304125 /nfs/dbraw/zinc/30/41/25/508304125.db2.gz YNTNSLOLIAYQHT-UHFFFAOYSA-N 1 2 364.254 2.567 40 0 FFABLO COc1ccccc1C[N@H+]1Cc2cncn2[C@@H](COCC2CCOCC2)C1 ZINC000248114136 509236096 /nfs/dbraw/zinc/23/60/96/509236096.db2.gz AKXNRBZGGWMPAH-HXUWFJFHSA-N 1 2 371.481 2.892 40 0 FFABLO COc1ccccc1C[N@@H+]1Cc2cncn2[C@@H](COCC2CCOCC2)C1 ZINC000248114136 509236102 /nfs/dbraw/zinc/23/61/02/509236102.db2.gz AKXNRBZGGWMPAH-HXUWFJFHSA-N 1 2 371.481 2.892 40 0 FFABLO O=C(Nc1ccc(OCC[NH+]2CCOCC2)cc1)C(Cl)(Cl)Cl ZINC000225589827 509378045 /nfs/dbraw/zinc/37/80/45/509378045.db2.gz GYNPQDFHKRDDCX-UHFFFAOYSA-N 1 2 367.660 2.706 40 0 FFABLO Cc1ccc(CC(=O)NCc2ccccc2C[NH+]2CCOCC2)c(C)c1 ZINC000225824753 509390201 /nfs/dbraw/zinc/39/02/01/509390201.db2.gz FDEARRVJRZIVMY-UHFFFAOYSA-N 1 2 352.478 2.995 40 0 FFABLO O=C1C[C@H]([N@H+]2CCCC[C@H]2CCO)C(=O)N1c1cccc(Cl)c1Cl ZINC000250797471 509804491 /nfs/dbraw/zinc/80/44/91/509804491.db2.gz YTUHUIHXPDQNLR-FZMZJTMJSA-N 1 2 371.264 2.862 40 0 FFABLO O=C1C[C@H]([N@@H+]2CCCC[C@H]2CCO)C(=O)N1c1cccc(Cl)c1Cl ZINC000250797471 509804495 /nfs/dbraw/zinc/80/44/95/509804495.db2.gz YTUHUIHXPDQNLR-FZMZJTMJSA-N 1 2 371.264 2.862 40 0 FFABLO Cc1cn(C)c([C@@H]2CCCN(C(=O)CCc3nc4ccccc4[nH]3)C2)[nH+]1 ZINC000257317957 509978989 /nfs/dbraw/zinc/97/89/89/509978989.db2.gz VLWWJNQATQJDSG-OAHLLOKOSA-N 1 2 351.454 2.944 40 0 FFABLO CN(C)C(=O)c1sc2ncccc2c1[C@@H]1CC[N@H+](Cc2nccn2C)C1 ZINC000257344907 509981512 /nfs/dbraw/zinc/98/15/12/509981512.db2.gz ZZDUAEAZUHKQHS-CYBMUJFWSA-N 1 2 369.494 2.721 40 0 FFABLO CN(C)C(=O)c1sc2ncccc2c1[C@@H]1CC[N@@H+](Cc2nccn2C)C1 ZINC000257344907 509981520 /nfs/dbraw/zinc/98/15/20/509981520.db2.gz ZZDUAEAZUHKQHS-CYBMUJFWSA-N 1 2 369.494 2.721 40 0 FFABLO COc1cccc(C[N@H+]2Cc3ccnn3[C@H](CCNC(=O)CC3CC3)C2)c1 ZINC000247870319 510871770 /nfs/dbraw/zinc/87/17/70/510871770.db2.gz CWGPPZLATVDGQG-GOSISDBHSA-N 1 2 368.481 2.755 40 0 FFABLO COc1cccc(C[N@@H+]2Cc3ccnn3[C@H](CCNC(=O)CC3CC3)C2)c1 ZINC000247870319 510871771 /nfs/dbraw/zinc/87/17/71/510871771.db2.gz CWGPPZLATVDGQG-GOSISDBHSA-N 1 2 368.481 2.755 40 0 FFABLO C[NH+]1CCN(C(=O)C(=O)c2c(-c3ccc(F)cc3)cc3ccccn32)CC1 ZINC000408679193 513090886 /nfs/dbraw/zinc/09/08/86/513090886.db2.gz VHWKVPBDUVWKAL-UHFFFAOYSA-N 1 2 365.408 2.702 40 0 FFABLO O=S(=O)(c1ccccc1)N1CCC2(C[NH+](Cc3ccccc3F)C2)C1 ZINC000096202424 518203067 /nfs/dbraw/zinc/20/30/67/518203067.db2.gz JIMSWOCRUOOWTK-UHFFFAOYSA-N 1 2 360.454 2.722 40 0 FFABLO CC(C)(C)Nc1nc(N2CCC[C@H](F)C2)nc(N2CCC[C@H](F)C2)[nH+]1 ZINC000578476138 518225165 /nfs/dbraw/zinc/22/51/65/518225165.db2.gz YQOKBJVBWPTAQT-STQMWFEESA-N 1 2 354.449 2.959 40 0 FFABLO CC(C)(C)Nc1nc(N2CCC[C@H](F)C2)[nH+]c(N2CCC[C@H](F)C2)n1 ZINC000578476138 518225174 /nfs/dbraw/zinc/22/51/74/518225174.db2.gz YQOKBJVBWPTAQT-STQMWFEESA-N 1 2 354.449 2.959 40 0 FFABLO O=C1CCCN1C[C@@H]1CCn2nccc2C[N@H+]1Cc1ccccc1Cl ZINC000585097188 518533613 /nfs/dbraw/zinc/53/36/13/518533613.db2.gz IKEODDCJVSXXGT-INIZCTEOSA-N 1 2 358.873 2.933 40 0 FFABLO O=C1CCCN1C[C@@H]1CCn2nccc2C[N@@H+]1Cc1ccccc1Cl ZINC000585097188 518533621 /nfs/dbraw/zinc/53/36/21/518533621.db2.gz IKEODDCJVSXXGT-INIZCTEOSA-N 1 2 358.873 2.933 40 0 FFABLO Cc1ncoc1C(=O)N1CCn2c(CCOCC3CCC3)c[nH+]c2[C@H]1C ZINC000585097523 518535277 /nfs/dbraw/zinc/53/52/77/518535277.db2.gz KZRYMKCVCOZPJS-CQSZACIVSA-N 1 2 358.442 2.756 40 0 FFABLO c1ccc(O[C@@H]2CCOC3(C[NH+](Cc4ccc5c(c4)OCO5)C3)C2)nc1 ZINC000585105251 518541327 /nfs/dbraw/zinc/54/13/27/518541327.db2.gz RNSQIDRPVOCPGM-MRXNPFEDSA-N 1 2 354.406 2.623 40 0 FFABLO O=C(C=Cc1c[nH]c[nH+]1)N1CC[C@]2(CCCO2)[C@@H](OCc2ccccc2)C1 ZINC000585291513 518556731 /nfs/dbraw/zinc/55/67/31/518556731.db2.gz PPRYFFRIMNTKFM-PDPIDTGVSA-N 1 2 367.449 2.790 40 0 FFABLO CC(C)[C@H](CO)Nc1cc(N2CCc3cc(C(C)(C)O)ccc3C2)nc[nH+]1 ZINC000328968407 535037503 /nfs/dbraw/zinc/03/75/03/535037503.db2.gz CYLCFYYUOSASJD-SFHVURJKSA-N 1 2 370.497 2.696 40 0 FFABLO CC(C)[C@H](CO)Nc1cc(N2CCc3cc(C(C)(C)O)ccc3C2)[nH+]cn1 ZINC000328968407 535037507 /nfs/dbraw/zinc/03/75/07/535037507.db2.gz CYLCFYYUOSASJD-SFHVURJKSA-N 1 2 370.497 2.696 40 0 FFABLO CN1C(=O)c2ccc(F)cc2O[C@H]2C[N@@H+](Cc3ccncc3Cl)C[C@H]21 ZINC000514288634 560034396 /nfs/dbraw/zinc/03/43/96/560034396.db2.gz KFXSRSHCGXJDGB-WBVHZDCISA-N 1 2 361.804 2.592 40 0 biogenic,in-vitro FFABLO CN1C(=O)c2ccc(F)cc2O[C@H]2C[N@H+](Cc3ccncc3Cl)C[C@H]21 ZINC000514288634 560034398 /nfs/dbraw/zinc/03/43/98/560034398.db2.gz KFXSRSHCGXJDGB-WBVHZDCISA-N 1 2 361.804 2.592 40 0 biogenic,in-vitro FFABLO O=C(NCc1ccc(-n2cc[nH+]c2)nc1)N1CCC[C@@H]([C@H]2CCCCO2)C1 ZINC000685938956 568434584 /nfs/dbraw/zinc/43/45/84/568434584.db2.gz RBOSNICYGXADMX-QZTJIDSGSA-N 1 2 369.469 2.758 40 0 FFABLO CNc1cc(C)[nH+]c([C@@H]2CN(C(=O)c3[nH]nc4ccccc43)CCO2)c1 ZINC000230566422 571096554 /nfs/dbraw/zinc/09/65/54/571096554.db2.gz UGGQJFCPEJWJFR-KRWDZBQOSA-N 1 2 351.410 2.522 40 0 FFABLO Cc1nnc(Nc2cc([C@@H]3CCC[N@H+]3Cc3cnn(C)c3)nc(C)n2)s1 ZINC000072382768 571188740 /nfs/dbraw/zinc/18/87/40/571188740.db2.gz OVYBWYTYAAGQLY-HNNXBMFYSA-N 1 2 370.486 2.759 40 0 FFABLO Cc1nnc(Nc2cc([C@@H]3CCC[N@@H+]3Cc3cnn(C)c3)nc(C)n2)s1 ZINC000072382768 571188741 /nfs/dbraw/zinc/18/87/41/571188741.db2.gz OVYBWYTYAAGQLY-HNNXBMFYSA-N 1 2 370.486 2.759 40 0 FFABLO CC(=O)Nc1ccc(NC(=O)c2cccc(C[NH+]3CCOCC3)c2)cc1 ZINC000044848106 205111405 /nfs/dbraw/zinc/11/14/05/205111405.db2.gz WLHAFIVKXQVDCP-UHFFFAOYSA-N 1 2 353.422 2.730 40 0 FFABLO O[C@@H]1C[C@@H](c2nc(-c3ccc4c(c3)OCO4)no2)[N@H+](Cc2cccs2)C1 ZINC000015674996 206316134 /nfs/dbraw/zinc/31/61/34/206316134.db2.gz UAJJKLBXPLERJL-OCCSQVGLSA-N 1 2 371.418 2.835 40 0 biogenic,in-vitro FFABLO O[C@@H]1C[C@@H](c2nc(-c3ccc4c(c3)OCO4)no2)[N@@H+](Cc2cccs2)C1 ZINC000015674996 206316136 /nfs/dbraw/zinc/31/61/36/206316136.db2.gz UAJJKLBXPLERJL-OCCSQVGLSA-N 1 2 371.418 2.835 40 0 biogenic,in-vitro FFABLO c1ccc(-c2nc3c4ccccc4nc(NCC[NH+]4CCOCC4)n3n2)cc1 ZINC000013640195 206304993 /nfs/dbraw/zinc/30/49/93/206304993.db2.gz RVFLNNURXAYMRW-UHFFFAOYSA-N 1 2 374.448 2.689 40 0 FFABLO Cc1cccc(C[N@@H+]2CCO[C@]3(CCCN(c4ncccc4F)C3)C2)n1 ZINC000096226392 132222840 /nfs/dbraw/zinc/22/28/40/132222840.db2.gz OUFOZNYZNSXSFV-HXUWFJFHSA-N 1 2 356.445 2.796 40 0 FFABLO Cc1cccc(C[N@H+]2CCO[C@]3(CCCN(c4ncccc4F)C3)C2)n1 ZINC000096226392 132222841 /nfs/dbraw/zinc/22/28/41/132222841.db2.gz OUFOZNYZNSXSFV-HXUWFJFHSA-N 1 2 356.445 2.796 40 0 FFABLO CCc1ccc(N2C(=O)C[C@@H]([NH+]3CCN(c4ccccc4)CC3)C2=O)cc1 ZINC000101274259 132233867 /nfs/dbraw/zinc/23/38/67/132233867.db2.gz WPGUMRXYKNBNDY-HXUWFJFHSA-N 1 2 363.461 2.703 40 0 FFABLO Cc1ccc(C)c(N2C(=O)C[C@H]([NH+]3CCN(c4ccccc4)CC3)C2=O)c1 ZINC000036633931 506410202 /nfs/dbraw/zinc/41/02/02/506410202.db2.gz DHILOTMOQGBVAM-FQEVSTJZSA-N 1 2 363.461 2.758 40 0 FFABLO Cn1cccc(C(=O)NCC2CCC(c3[nH]c4ccccc4[nH+]3)CC2)c1=O ZINC000038671602 506442042 /nfs/dbraw/zinc/44/20/42/506442042.db2.gz AFDBAADXDRGLNP-UHFFFAOYSA-N 1 2 364.449 2.965 40 0 FFABLO O=C(C[NH+]1CCC(O)(c2ccccn2)CC1)Nc1ccc(F)c(Cl)c1 ZINC000012114570 506815968 /nfs/dbraw/zinc/81/59/68/506815968.db2.gz VSQKSPOCVWGKAV-UHFFFAOYSA-N 1 2 363.820 2.796 40 0 FFABLO CC1CCN(c2nc3c(c(=O)[nH]2)C[N@H+](Cc2cc(F)ccc2F)CC3)CC1 ZINC000012185094 506829380 /nfs/dbraw/zinc/82/93/80/506829380.db2.gz NBLLMYLQXIYCMZ-UHFFFAOYSA-N 1 2 374.435 2.843 40 0 FFABLO CC1CCN(c2nc3c(c(=O)[nH]2)C[N@@H+](Cc2cc(F)ccc2F)CC3)CC1 ZINC000012185094 506829385 /nfs/dbraw/zinc/82/93/85/506829385.db2.gz NBLLMYLQXIYCMZ-UHFFFAOYSA-N 1 2 374.435 2.843 40 0 FFABLO Cn1ccc(NC(=O)C[NH+]2CCC3(C=Cc4cc(Cl)ccc4O3)CC2)n1 ZINC000012187952 506831500 /nfs/dbraw/zinc/83/15/00/506831500.db2.gz YYMYCZBXHOLGRM-UHFFFAOYSA-N 1 2 372.856 2.952 40 0 FFABLO COc1ccccc1C[NH2+]C1(Cc2cc(-c3ccccn3)on2)COC1 ZINC000067898262 507044261 /nfs/dbraw/zinc/04/42/61/507044261.db2.gz CXNVPMYUQRRCMN-UHFFFAOYSA-N 1 2 351.406 2.847 40 0 biogenic,in-vitro FFABLO COc1ccc(NC(=O)C[C@H]2[NH2+]CCc3c4ccccc4[nH]c3C2=O)cc1 ZINC000017074741 507114932 /nfs/dbraw/zinc/11/49/32/507114932.db2.gz PCTRKCVWTOHCNR-GOSISDBHSA-N 1 2 363.417 2.902 40 0 FFABLO O=c1[nH]c(-c2ccncc2)nc2c1C[N@H+](Cc1cc(F)cc(F)c1)CC2 ZINC000019405906 507169932 /nfs/dbraw/zinc/16/99/32/507169932.db2.gz AZDDWAATZXRJEV-UHFFFAOYSA-N 1 2 354.360 2.668 40 0 FFABLO O=c1[nH]c(-c2ccncc2)nc2c1C[N@@H+](Cc1cc(F)cc(F)c1)CC2 ZINC000019405906 507169940 /nfs/dbraw/zinc/16/99/40/507169940.db2.gz AZDDWAATZXRJEV-UHFFFAOYSA-N 1 2 354.360 2.668 40 0 FFABLO CC(C)[C@@H](CNC(=O)c1cc(-c2ccc(F)cc2)no1)[NH+]1CCOCC1 ZINC000019659476 507187196 /nfs/dbraw/zinc/18/71/96/507187196.db2.gz PTKBHEJYPTXQJL-QGZVFWFLSA-N 1 2 361.417 2.567 40 0 FFABLO Cc1cnc(C(=O)N2CCC[C@@H]2c2ccc(-c3ccc(N)[nH+]c3)cn2)cn1 ZINC000019691754 507190727 /nfs/dbraw/zinc/19/07/27/507190727.db2.gz VVKREUYAGGKJOS-GOSISDBHSA-N 1 2 360.421 2.802 40 0 FFABLO CCn1cc(C(=O)NCCCn2cc[nH+]c2)c(=O)c2cc(Cl)ccc21 ZINC000022234986 507285420 /nfs/dbraw/zinc/28/54/20/507285420.db2.gz NHWLJNIEMNSQMS-UHFFFAOYSA-N 1 2 358.829 2.691 40 0 FFABLO CC[C@H](C)NC(=O)C[N@@H+]1CCC[C@H](n2c(=O)oc3ccc(Cl)cc32)C1 ZINC000072347837 507778600 /nfs/dbraw/zinc/77/86/00/507778600.db2.gz YEIZWHGFDJNFSV-JSGCOSHPSA-N 1 2 365.861 2.800 40 0 FFABLO CC[C@H](C)NC(=O)C[N@H+]1CCC[C@H](n2c(=O)oc3ccc(Cl)cc32)C1 ZINC000072347837 507778603 /nfs/dbraw/zinc/77/86/03/507778603.db2.gz YEIZWHGFDJNFSV-JSGCOSHPSA-N 1 2 365.861 2.800 40 0 FFABLO COc1cccc(C[N@@H+]2CCc3nc([C@@H]4CCCN4C(C)=O)ncc3C2)c1 ZINC000072390829 507782259 /nfs/dbraw/zinc/78/22/59/507782259.db2.gz VRNVRTBPFHZASG-FQEVSTJZSA-N 1 2 366.465 2.727 40 0 FFABLO COc1cccc(C[N@H+]2CCc3nc([C@@H]4CCCN4C(C)=O)ncc3C2)c1 ZINC000072390829 507782262 /nfs/dbraw/zinc/78/22/62/507782262.db2.gz VRNVRTBPFHZASG-FQEVSTJZSA-N 1 2 366.465 2.727 40 0 FFABLO COc1cc(-c2n[nH]c([C@H]([NH3+])Cc3ccccc3)n2)cc(OC)c1OC ZINC000095534834 508197626 /nfs/dbraw/zinc/19/76/26/508197626.db2.gz GLERXFLVOQHNTQ-CQSZACIVSA-N 1 2 354.410 2.740 40 0 FFABLO CCOc1cc([C@@H]([NH3+])c2nc(COc3ccc(F)cc3)n[nH]2)ccc1OC ZINC000095534405 508197842 /nfs/dbraw/zinc/19/78/42/508197842.db2.gz XVFBCWHBCSBRKX-GOSISDBHSA-N 1 2 372.400 2.978 40 0 FFABLO Cc1cc(C(=O)N2CC[C@H]3OCC[C@@]3(CCNc3cccc[nH+]3)C2)no1 ZINC000096208364 508210162 /nfs/dbraw/zinc/21/01/62/508210162.db2.gz AEABACPAMRASER-APWZRJJASA-N 1 2 356.426 2.501 40 0 FFABLO Fc1cccnc1OC[C@@H]1Cn2c[nH+]cc2CN(Cc2nccs2)C1 ZINC000096209569 508210382 /nfs/dbraw/zinc/21/03/82/508210382.db2.gz WFWOENFHURBSKP-ZDUSSCGKSA-N 1 2 359.430 2.585 40 0 FFABLO COc1ccc([C@@H](NC(=O)[C@H]2CC[C@H](OC)CC2)c2[nH+]ccn2C)cc1 ZINC000100162581 508238783 /nfs/dbraw/zinc/23/87/83/508238783.db2.gz MGMACNUFPZMVRQ-BPQIPLTHSA-N 1 2 357.454 2.840 40 0 FFABLO COc1ccc(Cl)cc1NC(=O)Nc1c[nH+]c(N(C)C)nc1N(C)C ZINC000224140137 509354607 /nfs/dbraw/zinc/35/46/07/509354607.db2.gz LIUBHVKDOASQBO-UHFFFAOYSA-N 1 2 364.837 2.915 40 0 FFABLO COc1ccc(NC(=S)N2CC[NH+](Cc3ccccn3)CC2)c(OC)c1 ZINC000225225211 509367615 /nfs/dbraw/zinc/36/76/15/509367615.db2.gz YGYLXYKGDVLDLX-UHFFFAOYSA-N 1 2 372.494 2.613 40 0 FFABLO Cc1ccsc1C[N@H+]1Cc2ccnn2[C@@H](CC(=O)N2CCCCO2)C1 ZINC000253599115 509901147 /nfs/dbraw/zinc/90/11/47/509901147.db2.gz LBMJOFFXTNILQC-INIZCTEOSA-N 1 2 360.483 2.754 40 0 FFABLO Cc1ccsc1C[N@@H+]1Cc2ccnn2[C@@H](CC(=O)N2CCCCO2)C1 ZINC000253599115 509901157 /nfs/dbraw/zinc/90/11/57/509901157.db2.gz LBMJOFFXTNILQC-INIZCTEOSA-N 1 2 360.483 2.754 40 0 FFABLO Cc1cncc(OCC[C@H]2CCOC3(C[NH+](Cc4ccncc4)C3)C2)n1 ZINC000253600844 509902694 /nfs/dbraw/zinc/90/26/94/509902694.db2.gz ATYQUMAKBOBRSM-KRWDZBQOSA-N 1 2 354.454 2.630 40 0 FFABLO CN(C)c1cc([C@@H]2CCCN(C(=O)c3cnc(C4CC4)nc3)C2)cc[nH+]1 ZINC000257201467 509955031 /nfs/dbraw/zinc/95/50/31/509955031.db2.gz AHVALAUQTMVYJF-MRXNPFEDSA-N 1 2 351.454 2.835 40 0 FFABLO COc1cccc([C@@H]2Cn3cc[nH+]c3CN2C(=O)CC2CCOCC2)c1 ZINC000257227657 509961331 /nfs/dbraw/zinc/96/13/31/509961331.db2.gz FQHFVKAODIOLCR-SFHVURJKSA-N 1 2 355.438 2.792 40 0 FFABLO Cc1n[nH]cc1C[N@H+]1CCC[C@@H](Cc2cc(Nc3nncs3)ncn2)C1 ZINC000257250215 509964273 /nfs/dbraw/zinc/96/42/73/509964273.db2.gz JLOPXKPVBWDUDY-ZDUSSCGKSA-N 1 2 370.486 2.558 40 0 FFABLO CCOc1ncccc1C(=O)N1CCC[C@H](c2cc[nH+]c(N(C)C)c2)C1 ZINC000257251730 509964775 /nfs/dbraw/zinc/96/47/75/509964775.db2.gz JRXVJUPCNGUICV-INIZCTEOSA-N 1 2 354.454 2.961 40 0 FFABLO COc1ccc(OCC(=O)N2CCC[C@H]2c2cc[nH+]c(N(C)C)c2)cc1 ZINC000257332194 509982077 /nfs/dbraw/zinc/98/20/77/509982077.db2.gz XWFCLGMVBPALDC-SFHVURJKSA-N 1 2 355.438 2.899 40 0 FFABLO COc1cccc(C[NH+]2CC3(C2)OCC[C@@H]3COCc2ccccn2)c1 ZINC000247870307 510871732 /nfs/dbraw/zinc/87/17/32/510871732.db2.gz CVDOKEJFRCVNLH-GOSISDBHSA-N 1 2 354.450 2.898 40 0 FFABLO CC(=O)N[C@H]1CCCC[C@]12C[N@H+](Cc1cc(F)c(O)c(Cl)c1)CCO2 ZINC000306141544 511762357 /nfs/dbraw/zinc/76/23/57/511762357.db2.gz VZMVIBHWIZTVGA-WMZOPIPTSA-N 1 2 370.852 2.834 40 0 FFABLO CC(=O)N[C@H]1CCCC[C@]12C[N@@H+](Cc1cc(F)c(O)c(Cl)c1)CCO2 ZINC000306141544 511762361 /nfs/dbraw/zinc/76/23/61/511762361.db2.gz VZMVIBHWIZTVGA-WMZOPIPTSA-N 1 2 370.852 2.834 40 0 FFABLO CC[C@@H](C)Nc1nc(Nc2ccc(C(=O)OC)c(OC)c2)cc(C2CC2)[nH+]1 ZINC000329045930 511972933 /nfs/dbraw/zinc/97/29/33/511972933.db2.gz TXMRBMAGGVTIPH-GFCCVEGCSA-N 1 2 370.453 2.947 40 0 FFABLO Cc1noc(C)c1C(=O)N1CCn2c(CCOCC3CC3)c[nH+]c2[C@@H]1C ZINC000585097318 518534150 /nfs/dbraw/zinc/53/41/50/518534150.db2.gz IMPPCPVNBYJSSG-ZDUSSCGKSA-N 1 2 358.442 2.674 40 0 FFABLO COCc1ccc(C(=O)N2CCc3[nH+]cc(-c4cccnc4)n3CC2)cc1 ZINC000585111115 518544310 /nfs/dbraw/zinc/54/43/10/518544310.db2.gz FBHORTBFEPNYSV-UHFFFAOYSA-N 1 2 362.433 2.790 40 0 FFABLO CNc1cc(-c2cccc(OC(F)(F)F)c2)[nH+]c(N[C@H](CO)C(C)C)n1 ZINC000329059637 571129544 /nfs/dbraw/zinc/12/95/44/571129544.db2.gz WIMDCWUNXCXNKQ-CQSZACIVSA-N 1 2 370.375 3.513 40 0 FFABLO COc1ccc(Oc2cncc([C@@H]3CCC[N@@H+]3CC(=O)N(C)C)n2)cc1 ZINC000072383958 571189058 /nfs/dbraw/zinc/18/90/58/571189058.db2.gz BPHXVAZUUYLESG-KRWDZBQOSA-N 1 2 356.426 2.503 40 0 FFABLO COc1ccc(Oc2cncc([C@@H]3CCC[N@H+]3CC(=O)N(C)C)n2)cc1 ZINC000072383958 571189059 /nfs/dbraw/zinc/18/90/59/571189059.db2.gz BPHXVAZUUYLESG-KRWDZBQOSA-N 1 2 356.426 2.503 40 0 FFABLO Cc1cc(C(=O)N2Cc3cccn3C[C@H](CCNc3cccc[nH+]3)C2)no1 ZINC000585095109 571219722 /nfs/dbraw/zinc/21/97/22/571219722.db2.gz FZIHXPYALVOMSI-INIZCTEOSA-N 1 2 365.437 2.954 40 0 FFABLO C[C@](O)(CNC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1)c1ccsc1 ZINC000126154458 981185589 /nfs/dbraw/zinc/18/55/89/981185589.db2.gz VEAPGPWHOCSHOG-SFHVURJKSA-N 1 2 374.441 2.780 40 0 FFABLO CC(C)(C)n1nnnc1C[NH+]1CCC(n2cnc3cc(F)ccc32)CC1 ZINC000035311121 204239615 /nfs/dbraw/zinc/23/96/15/204239615.db2.gz OQYYSZRTYBQVRG-UHFFFAOYSA-N 1 2 357.437 2.754 40 0 FFABLO O=C(Nc1ccc2c(c1)OCO2)N1CCN(c2[nH]c3ccccc3[nH+]2)CC1 ZINC000038554782 205041533 /nfs/dbraw/zinc/04/15/33/205041533.db2.gz KTDXSMWVSHMOLF-UHFFFAOYSA-N 1 2 365.393 2.646 40 0 FFABLO c1ccc(Nc2nc(N3CCOCC3)[nH+]c(N3CCCCCC3)n2)cc1 ZINC000032603974 506269972 /nfs/dbraw/zinc/26/99/72/506269972.db2.gz FDBALDPDJUYXDR-UHFFFAOYSA-N 1 2 354.458 2.832 40 0 FFABLO O=C(Cn1c(-c2ccc(F)cc2)cc2cccnc21)NCCn1cc[nH+]c1 ZINC000012143419 506821708 /nfs/dbraw/zinc/82/17/08/506821708.db2.gz OQXCXKANIPPNHA-UHFFFAOYSA-N 1 2 363.396 2.855 40 0 FFABLO CCc1c(C)nc2cc([C@@H]3CC[N@H+](Cc4ccncc4C)C3)[nH]n2c1=O ZINC000012222243 506837292 /nfs/dbraw/zinc/83/72/92/506837292.db2.gz OQUUQGVOCBDWQM-MRXNPFEDSA-N 1 2 351.454 2.999 40 0 FFABLO CCc1c(C)nc2cc([C@@H]3CC[N@@H+](Cc4ccncc4C)C3)[nH]n2c1=O ZINC000012222243 506837301 /nfs/dbraw/zinc/83/73/01/506837301.db2.gz OQUUQGVOCBDWQM-MRXNPFEDSA-N 1 2 351.454 2.999 40 0 FFABLO COc1ccc(C[N@@H+]2CC[C@H](c3cc4nc(C)cc(=O)n4[nH]3)C2)c(OC)c1 ZINC000013225719 506934079 /nfs/dbraw/zinc/93/40/79/506934079.db2.gz SHVVVSSBHXMHDA-AWEZNQCLSA-N 1 2 368.437 2.750 40 0 FFABLO COc1ccc(C[N@H+]2CC[C@H](c3cc4nc(C)cc(=O)n4[nH]3)C2)c(OC)c1 ZINC000013225719 506934084 /nfs/dbraw/zinc/93/40/84/506934084.db2.gz SHVVVSSBHXMHDA-AWEZNQCLSA-N 1 2 368.437 2.750 40 0 FFABLO CC1=C[C@@H](CO)[C@H](C(C)C)C[C@H]1CC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000030882715 507814133 /nfs/dbraw/zinc/81/41/33/507814133.db2.gz SYLWGXLSYDPIDX-UFYCRDLUSA-N 1 2 371.525 2.967 40 0 biogenic,in-vitro FFABLO Cn1cc(C[N@H+]2Cc3ncn(CC4CC4)c3[C@H](COCC3CC3)C2)cn1 ZINC000096045148 508203613 /nfs/dbraw/zinc/20/36/13/508203613.db2.gz RCGVNLIYIFQRDC-SFHVURJKSA-N 1 2 355.486 2.553 40 0 FFABLO Cn1cc(C[N@@H+]2Cc3ncn(CC4CC4)c3[C@H](COCC3CC3)C2)cn1 ZINC000096045148 508203618 /nfs/dbraw/zinc/20/36/18/508203618.db2.gz RCGVNLIYIFQRDC-SFHVURJKSA-N 1 2 355.486 2.553 40 0 FFABLO C[N@H+](Cc1cn2c(n1)CN(C(=O)c1ccsc1)CC2)Cc1cccnc1 ZINC000096059551 508205629 /nfs/dbraw/zinc/20/56/29/508205629.db2.gz CHVTXOFBLMTIPO-UHFFFAOYSA-N 1 2 367.478 2.628 40 0 FFABLO C[N@@H+](Cc1cn2c(n1)CN(C(=O)c1ccsc1)CC2)Cc1cccnc1 ZINC000096059551 508205631 /nfs/dbraw/zinc/20/56/31/508205631.db2.gz CHVTXOFBLMTIPO-UHFFFAOYSA-N 1 2 367.478 2.628 40 0 FFABLO CCOC[C@@H]1Cn2c[nH+]cc2CN(C(=O)CC2Cc3ccccc3C2)C1 ZINC000096208133 508210670 /nfs/dbraw/zinc/21/06/70/508210670.db2.gz YKKDACOZPZRDET-KRWDZBQOSA-N 1 2 353.466 2.683 40 0 FFABLO Cc1ccc(C(=O)N2CCc3[nH+]c(NC(C)C)nc(NC4CC4)c3C2)cn1 ZINC000096254171 508212950 /nfs/dbraw/zinc/21/29/50/508212950.db2.gz OAVSIBRLSRGFTO-UHFFFAOYSA-N 1 2 366.469 2.773 40 0 FFABLO CC[N@@H+]1CCn2c(C)cnc2C12CCN(C(=O)Cc1ccccc1)CC2 ZINC000096263313 508213061 /nfs/dbraw/zinc/21/30/61/508213061.db2.gz GBANLXBGQPDSJM-UHFFFAOYSA-N 1 2 352.482 2.587 40 0 FFABLO CC[N@H+]1CCn2c(C)cnc2C12CCN(C(=O)Cc1ccccc1)CC2 ZINC000096263313 508213064 /nfs/dbraw/zinc/21/30/64/508213064.db2.gz GBANLXBGQPDSJM-UHFFFAOYSA-N 1 2 352.482 2.587 40 0 FFABLO CCN1CCn2c(C)c[nH+]c2C12CCN(C(=O)Cc1ccccc1)CC2 ZINC000096263313 508213066 /nfs/dbraw/zinc/21/30/66/508213066.db2.gz GBANLXBGQPDSJM-UHFFFAOYSA-N 1 2 352.482 2.587 40 0 FFABLO CO[C@H]1CC[C@H](C(=O)N2CCc3nc([C@H]4CCCC[N@@H+]4C)ncc3C2)CC1 ZINC000100746422 508239928 /nfs/dbraw/zinc/23/99/28/508239928.db2.gz IJGYTBPYIOMAEV-HHXXYDBFSA-N 1 2 372.513 2.723 40 0 FFABLO CO[C@H]1CC[C@H](C(=O)N2CCc3nc([C@H]4CCCC[N@H+]4C)ncc3C2)CC1 ZINC000100746422 508239931 /nfs/dbraw/zinc/23/99/31/508239931.db2.gz IJGYTBPYIOMAEV-HHXXYDBFSA-N 1 2 372.513 2.723 40 0 FFABLO COc1cccc(C[N@@H+]2C[C@H]3C[C@@H](C(=O)NCc4ccccc4)[C@@H](C2)O3)c1 ZINC000247904686 509189036 /nfs/dbraw/zinc/18/90/36/509189036.db2.gz HJKGUSIEQOTPOZ-NJDAHSKKSA-N 1 2 366.461 2.601 40 0 FFABLO COc1cccc(C[N@H+]2C[C@H]3C[C@@H](C(=O)NCc4ccccc4)[C@@H](C2)O3)c1 ZINC000247904686 509189043 /nfs/dbraw/zinc/18/90/43/509189043.db2.gz HJKGUSIEQOTPOZ-NJDAHSKKSA-N 1 2 366.461 2.601 40 0 FFABLO Cc1csc(C[NH+]2CC3(C2)C[C@@H](OCC2CCOCC2)CS3)n1 ZINC000247983329 509211010 /nfs/dbraw/zinc/21/10/10/509211010.db2.gz YAYMUQQQOUNYHW-OAHLLOKOSA-N 1 2 354.541 2.955 40 0 FFABLO Cc1occc1C(=O)N1Cc2ccnn2C[C@@H](CNc2cccc[nH+]2)C1 ZINC000248007921 509214104 /nfs/dbraw/zinc/21/41/04/509214104.db2.gz HVWOHNYROUFAGR-HNNXBMFYSA-N 1 2 351.410 2.564 40 0 FFABLO c1cc2n(n1)[C@H](COc1cccnc1)C[N@H+](Cc1ccc3c(c1)OCO3)C2 ZINC000248338139 509271760 /nfs/dbraw/zinc/27/17/60/509271760.db2.gz QSFBWDFRTBWTBR-KRWDZBQOSA-N 1 2 364.405 2.643 40 0 FFABLO c1cc2n(n1)[C@H](COc1cccnc1)C[N@@H+](Cc1ccc3c(c1)OCO3)C2 ZINC000248338139 509271764 /nfs/dbraw/zinc/27/17/64/509271764.db2.gz QSFBWDFRTBWTBR-KRWDZBQOSA-N 1 2 364.405 2.643 40 0 FFABLO c1ccc2nc(C[NH+]3CC4(C3)C[C@@H](Oc3cnccn3)CCO4)ccc2c1 ZINC000248334913 509271960 /nfs/dbraw/zinc/27/19/60/509271960.db2.gz MGVVLYAPDKLIHP-SFHVURJKSA-N 1 2 362.433 2.837 40 0 FFABLO Cc1ccccc1Nc1ccc(NC(=S)NCC[NH+]2CCOCC2)cn1 ZINC000223894502 509349360 /nfs/dbraw/zinc/34/93/60/509349360.db2.gz QJURAQIHTHOPHT-UHFFFAOYSA-N 1 2 371.510 2.752 40 0 FFABLO Cc1ccc(C)n1-n1c(CN2CCCCC2)nnc1C[NH+]1CCCCC1 ZINC000225151044 509365748 /nfs/dbraw/zinc/36/57/48/509365748.db2.gz LHDZAXNNMPQJBH-UHFFFAOYSA-N 1 2 356.518 2.980 40 0 FFABLO COc1cc(NC(=S)N2CC[NH+](Cc3ccccn3)CC2)cc(OC)c1 ZINC000225225323 509367177 /nfs/dbraw/zinc/36/71/77/509367177.db2.gz DKOKRKDVZUZNHG-UHFFFAOYSA-N 1 2 372.494 2.613 40 0 FFABLO CO[C@@H]1C[N@H+](CC(=O)Nc2cccc(C(F)(F)F)c2)C[C@]12CCCO2 ZINC000257216564 509959302 /nfs/dbraw/zinc/95/93/02/509959302.db2.gz CVBTWOGPVURCNP-GDBMZVCRSA-N 1 2 358.360 2.524 40 0 FFABLO CO[C@@H]1C[N@@H+](CC(=O)Nc2cccc(C(F)(F)F)c2)C[C@]12CCCO2 ZINC000257216564 509959305 /nfs/dbraw/zinc/95/93/05/509959305.db2.gz CVBTWOGPVURCNP-GDBMZVCRSA-N 1 2 358.360 2.524 40 0 FFABLO Cc1noc(C)c1-c1cccc(C2CCN(C(=O)Cn3cc[nH+]c3)CC2)n1 ZINC000257260659 509965884 /nfs/dbraw/zinc/96/58/84/509965884.db2.gz LDULSROGAITQAF-UHFFFAOYSA-N 1 2 365.437 2.956 40 0 FFABLO Cc1cc(C)nc(Nc2nccnc2[C@@H]2CCC[N@H+](Cc3c[nH]cn3)C2)n1 ZINC000257292679 509972547 /nfs/dbraw/zinc/97/25/47/509972547.db2.gz QMNUQIIXDPSJSA-OAHLLOKOSA-N 1 2 364.457 2.730 40 0 FFABLO Cc1cc(C)nc(Nc2nccnc2[C@@H]2CCC[N@@H+](Cc3c[nH]cn3)C2)n1 ZINC000257292679 509972556 /nfs/dbraw/zinc/97/25/56/509972556.db2.gz QMNUQIIXDPSJSA-OAHLLOKOSA-N 1 2 364.457 2.730 40 0 FFABLO Cc1cc(C)nc(Nc2nccnc2[C@@H]2CCC[N@H+](Cc3cnc[nH]3)C2)n1 ZINC000257292679 509972558 /nfs/dbraw/zinc/97/25/58/509972558.db2.gz QMNUQIIXDPSJSA-OAHLLOKOSA-N 1 2 364.457 2.730 40 0 FFABLO Cn1c[nH+]cc1-c1cc(CC2CCN(C(=O)c3ccncc3)CC2)ccn1 ZINC000257315847 509977776 /nfs/dbraw/zinc/97/77/76/509977776.db2.gz VCZLFTIZPDRWSM-UHFFFAOYSA-N 1 2 361.449 2.972 40 0 FFABLO CC(=O)NCc1cnc(C)nc1[C@@H]1CCC[N@H+]1Cc1nccn1C(C)C ZINC000257329225 509979336 /nfs/dbraw/zinc/97/93/36/509979336.db2.gz XJABXSFGQLAFOP-KRWDZBQOSA-N 1 2 356.474 2.536 40 0 FFABLO CC(=O)NCc1cnc(C)nc1[C@@H]1CCC[N@@H+]1Cc1nccn1C(C)C ZINC000257329225 509979344 /nfs/dbraw/zinc/97/93/44/509979344.db2.gz XJABXSFGQLAFOP-KRWDZBQOSA-N 1 2 356.474 2.536 40 0 FFABLO CC(=O)NCc1cnc(C)nc1[C@@H]1CCCN1Cc1[nH+]ccn1C(C)C ZINC000257329225 509979352 /nfs/dbraw/zinc/97/93/52/509979352.db2.gz XJABXSFGQLAFOP-KRWDZBQOSA-N 1 2 356.474 2.536 40 0 FFABLO COc1cc([C@@H]2Nc3ccccc3-c3c(=O)[nH]c(SC)n[n+]32)ccc1O ZINC000261362919 509984990 /nfs/dbraw/zinc/98/49/90/509984990.db2.gz NNUOLZRTCBNETQ-MRXNPFEDSA-O 1 2 369.426 2.545 40 0 FFABLO O=C(C[C@@H]1C[N@H+](Cc2ccc3ccccc3n2)Cc2ccnn21)NC1CC1 ZINC000247859614 510871695 /nfs/dbraw/zinc/87/16/95/510871695.db2.gz MDFRATHQKXGGEF-LJQANCHMSA-N 1 2 361.449 2.657 40 0 FFABLO O=C(C[C@@H]1C[N@@H+](Cc2ccc3ccccc3n2)Cc2ccnn21)NC1CC1 ZINC000247859614 510871696 /nfs/dbraw/zinc/87/16/96/510871696.db2.gz MDFRATHQKXGGEF-LJQANCHMSA-N 1 2 361.449 2.657 40 0 FFABLO CNc1nc(NCc2cccc(Br)c2)cc(-c2cccnc2)[nH+]1 ZINC000328970358 511958642 /nfs/dbraw/zinc/95/86/42/511958642.db2.gz DJUDLDMMAWQFOO-UHFFFAOYSA-N 1 2 370.254 2.799 40 0 FFABLO COc1cc(Nc2cc(C3CC3)[nH+]c(N[C@@H](CO)C(C)C)n2)cc(OC)c1 ZINC000329032260 511971001 /nfs/dbraw/zinc/97/10/01/511971001.db2.gz QNZHIFMGPGWHHT-SFHVURJKSA-N 1 2 372.469 3.544 40 0 FFABLO OCCCNc1nc(Nc2cccc(F)c2F)cc(-c2ccccc2)[nH+]1 ZINC000329032285 511971192 /nfs/dbraw/zinc/97/11/92/511971192.db2.gz QOPODYAOULUGJM-UHFFFAOYSA-N 1 2 356.376 2.804 40 0 FFABLO Cc1c(C[N@@H+]2Cc3ccnn3CC[C@H]2COCC2CCCC2)cnn1C ZINC000585097115 518533080 /nfs/dbraw/zinc/53/30/80/518533080.db2.gz HOOVEOKVWIHBDB-FQEVSTJZSA-N 1 2 357.502 2.906 40 0 FFABLO Cc1c(C[N@H+]2Cc3ccnn3CC[C@H]2COCC2CCCC2)cnn1C ZINC000585097115 518533086 /nfs/dbraw/zinc/53/30/86/518533086.db2.gz HOOVEOKVWIHBDB-FQEVSTJZSA-N 1 2 357.502 2.906 40 0 FFABLO CC1CCN(C(=O)[C@H]2C[N@H+](Cc3ccsc3)Cc3ncn(C)c32)CC1 ZINC000585110837 518542256 /nfs/dbraw/zinc/54/22/56/518542256.db2.gz MISMVDUUOVQZRX-INIZCTEOSA-N 1 2 358.511 2.840 40 0 FFABLO CC1CCN(C(=O)[C@H]2C[N@@H+](Cc3ccsc3)Cc3ncn(C)c32)CC1 ZINC000585110837 518542263 /nfs/dbraw/zinc/54/22/63/518542263.db2.gz MISMVDUUOVQZRX-INIZCTEOSA-N 1 2 358.511 2.840 40 0 FFABLO COc1ccc2[nH]c(C[C@H]3C[N@H+](CC4CC4)CC[C@H]3CC(=O)[O-])[nH+]c2c1 ZINC000514288394 560034933 /nfs/dbraw/zinc/03/49/33/560034933.db2.gz CFZHGUFVESMBFX-GJZGRUSLSA-N 1 2 357.454 2.937 40 0 biogenic,in-vitro FFABLO COc1ccc2[nH]c(C[C@H]3C[N@@H+](CC4CC4)CC[C@H]3CC(=O)[O-])[nH+]c2c1 ZINC000514288394 560034934 /nfs/dbraw/zinc/03/49/34/560034934.db2.gz CFZHGUFVESMBFX-GJZGRUSLSA-N 1 2 357.454 2.937 40 0 biogenic,in-vitro FFABLO CCOC[C@@H]1Cc2c([nH+]cn2C)CN1C(=O)c1ccc(F)c(Cl)c1 ZINC000585094602 571219412 /nfs/dbraw/zinc/21/94/12/571219412.db2.gz DPTLWMHSJUSROI-LBPRGKRZSA-N 1 2 351.809 2.816 40 0 FFABLO CC(C)OCCCNc1nc2c(cnn2C)c(NCCCOC(C)C)[nH+]1 ZINC000001562387 204012193 /nfs/dbraw/zinc/01/21/93/204012193.db2.gz BDJHHTHOGZUXPH-UHFFFAOYSA-N 1 2 364.494 2.817 40 0 FFABLO Cn1cc[nH+]c1[C@H](NC(=O)Cc1cccc(O)c1)c1ccc(F)c(F)c1 ZINC000012115030 204432438 /nfs/dbraw/zinc/43/24/38/204432438.db2.gz XZVDRWUZXVVIHM-GOSISDBHSA-N 1 2 357.360 2.852 40 0 FFABLO O=C(NCC[NH+]1CCOCC1)c1cc(Cl)ccc1OCc1ccccc1 ZINC000038311904 205039771 /nfs/dbraw/zinc/03/97/71/205039771.db2.gz DHQIPJFOUGTJQM-UHFFFAOYSA-N 1 2 374.868 2.981 40 0 FFABLO CN(C)[C@@H](C(=O)N1CC[N@H+](C)C[C@H]1c1ccccc1)c1ccc(F)cc1 ZINC000036734538 205021397 /nfs/dbraw/zinc/02/13/97/205021397.db2.gz VROCZVPADRQJTR-VQTJNVASSA-N 1 2 355.457 2.944 40 0 FFABLO CN(C)[C@@H](C(=O)N1CC[N@@H+](C)C[C@H]1c1ccccc1)c1ccc(F)cc1 ZINC000036734538 205021401 /nfs/dbraw/zinc/02/14/01/205021401.db2.gz VROCZVPADRQJTR-VQTJNVASSA-N 1 2 355.457 2.944 40 0 FFABLO O=S(=O)(c1ccccc1)N1C[C@H]2C[N@@H+](Cc3ccc(Cl)cc3)[C@H]2C1 ZINC000107249281 206018262 /nfs/dbraw/zinc/01/82/62/206018262.db2.gz PFKXLCLJBIBAAD-QAPCUYQASA-N 1 2 362.882 2.845 40 0 FFABLO O=S(=O)(c1ccccc1)N1C[C@H]2C[N@H+](Cc3ccc(Cl)cc3)[C@H]2C1 ZINC000107249281 206018265 /nfs/dbraw/zinc/01/82/65/206018265.db2.gz PFKXLCLJBIBAAD-QAPCUYQASA-N 1 2 362.882 2.845 40 0 FFABLO Cc1cccc(CS(=O)(=O)c2nnc([C@@H]([NH3+])Cc3ccccc3)o2)c1 ZINC000002333143 206154924 /nfs/dbraw/zinc/15/49/24/206154924.db2.gz YJWFTDBXBBDTQE-INIZCTEOSA-N 1 2 357.435 2.594 40 0 FFABLO Cn1cc[nH+]c1[C@@H]1CCN(S(=O)(=O)c2cc(Cl)cc(Cl)c2)C1 ZINC000332099660 258214162 /nfs/dbraw/zinc/21/41/62/258214162.db2.gz YBZRZMBLRCDOBM-SNVBAGLBSA-N 1 2 360.266 2.905 40 0 FFABLO Cc1cc(N2CCC[C@](C)(C(=O)NC3Cc4ccccc4C3)C2)nc[nH+]1 ZINC000257309274 132296673 /nfs/dbraw/zinc/29/66/73/132296673.db2.gz UAHSSXRNBSCOSU-NRFANRHFSA-N 1 2 350.466 2.675 40 0 FFABLO CSc1nc(C)c(C(=O)CC[NH+]2CCN(c3ccccn3)CC2)s1 ZINC000001589316 132382287 /nfs/dbraw/zinc/38/22/87/132382287.db2.gz KINMFTWEKMAEJD-UHFFFAOYSA-N 1 2 362.524 2.963 40 0 FFABLO Cc1nc(N2CC[NH+](C)CC2)nc2c1C(=O)C[C@H](c1ccccc1F)C2 ZINC000009287073 132845066 /nfs/dbraw/zinc/84/50/66/132845066.db2.gz WPQSZNUEVCEEJF-CQSZACIVSA-N 1 2 354.429 2.589 40 0 FFABLO C[C@H]1Cc2ccccc2N1C(=O)C[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000054530426 136125616 /nfs/dbraw/zinc/12/56/16/136125616.db2.gz ZMSLNNKHWFFOBL-INIZCTEOSA-N 1 2 353.441 2.926 40 0 FFABLO O=C([C@@H]1Cc2[nH]c[nH+]c2CN1Cc1cc2ccccc2o1)N1CCCC1 ZINC000012530207 506872496 /nfs/dbraw/zinc/87/24/96/506872496.db2.gz ORAZGUACCORASG-SFHVURJKSA-N 1 2 350.422 2.705 40 0 biogenic,in-vitro FFABLO O=c1c2ccccc2nc(-c2ccc(F)cc2)n1CCC[NH+]1CCOCC1 ZINC000013637335 506947577 /nfs/dbraw/zinc/94/75/77/506947577.db2.gz GCGAQBNKZKTFIM-UHFFFAOYSA-N 1 2 367.424 2.925 40 0 FFABLO O=c1[nH]c(-c2ccncc2)nc2c1C[N@H+](Cc1c(F)cccc1F)CC2 ZINC000019292654 507165239 /nfs/dbraw/zinc/16/52/39/507165239.db2.gz NOCZSFBZMOYFMT-UHFFFAOYSA-N 1 2 354.360 2.668 40 0 FFABLO O=c1[nH]c(-c2ccncc2)nc2c1C[N@@H+](Cc1c(F)cccc1F)CC2 ZINC000019292654 507165248 /nfs/dbraw/zinc/16/52/48/507165248.db2.gz NOCZSFBZMOYFMT-UHFFFAOYSA-N 1 2 354.360 2.668 40 0 FFABLO O=c1c2c(nc3cc(C4CC4)[nH]n31)C[N@@H+](Cc1ccc3nccnc3c1)CC2 ZINC000019345803 507167260 /nfs/dbraw/zinc/16/72/60/507167260.db2.gz ZJXGTSQHZKTQCL-UHFFFAOYSA-N 1 2 372.432 2.814 40 0 FFABLO O=c1c2c(nc3cc(C4CC4)[nH]n31)C[N@H+](Cc1ccc3nccnc3c1)CC2 ZINC000019345803 507167265 /nfs/dbraw/zinc/16/72/65/507167265.db2.gz ZJXGTSQHZKTQCL-UHFFFAOYSA-N 1 2 372.432 2.814 40 0 FFABLO COc1ccc(-c2cc(C(=O)Nc3nc4c(s3)C[N@H+](C)CC4)n[nH]2)cc1 ZINC000019655998 507186407 /nfs/dbraw/zinc/18/64/07/507186407.db2.gz SCINBPHBFBJOJX-UHFFFAOYSA-N 1 2 369.450 2.782 40 0 FFABLO COc1ccc(-c2cc(C(=O)Nc3nc4c(s3)C[N@@H+](C)CC4)n[nH]2)cc1 ZINC000019655998 507186413 /nfs/dbraw/zinc/18/64/13/507186413.db2.gz SCINBPHBFBJOJX-UHFFFAOYSA-N 1 2 369.450 2.782 40 0 FFABLO Cc1cc(C(=O)N[C@@H](Cn2cc[nH+]c2)C(C)(C)C)nc(N2CCCCC2)n1 ZINC000019660414 507188199 /nfs/dbraw/zinc/18/81/99/507188199.db2.gz QOSDEEPEVUYAOR-KRWDZBQOSA-N 1 2 370.501 2.817 40 0 FFABLO COCCCN1C[NH+]=C2NC3(CCCCC3)n3c4ccccc4nc3N2C1 ZINC000020676467 507231217 /nfs/dbraw/zinc/23/12/17/507231217.db2.gz CRZWULIEKCPPTA-UHFFFAOYSA-N 1 2 368.485 2.686 40 0 FFABLO Cc1ccccc1OCCNC(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000068551586 507266974 /nfs/dbraw/zinc/26/69/74/507266974.db2.gz FYUOYMHIPWGKLM-UHFFFAOYSA-N 1 2 354.450 2.636 40 0 FFABLO O=C(c1ccc(F)cc1)N1CCC(c2nccnc2-n2cc[nH+]c2)CC1 ZINC000072350528 507779085 /nfs/dbraw/zinc/77/90/85/507779085.db2.gz MDAQRSAMBIDTDN-UHFFFAOYSA-N 1 2 351.385 2.821 40 0 FFABLO CCc1[nH+]ccn1-c1nccnc1[C@H]1CCCN(C(=O)c2ccncc2)C1 ZINC000072350611 507779542 /nfs/dbraw/zinc/77/95/42/507779542.db2.gz QNUQRFRSFRPXRA-INIZCTEOSA-N 1 2 362.437 2.640 40 0 FFABLO CC(=O)N1CCc2nnc([C@@H]3CCCC[N@@H+]3Cc3cccc(C)c3)n2CC1 ZINC000072372803 507781348 /nfs/dbraw/zinc/78/13/48/507781348.db2.gz XDKHZJRXGONADQ-IBGZPJMESA-N 1 2 367.497 2.718 40 0 FFABLO CC(=O)N1CCc2nnc([C@@H]3CCCC[N@H+]3Cc3cccc(C)c3)n2CC1 ZINC000072372803 507781350 /nfs/dbraw/zinc/78/13/50/507781350.db2.gz XDKHZJRXGONADQ-IBGZPJMESA-N 1 2 367.497 2.718 40 0 FFABLO Cc1cc2c(nc3n(c2=O)CC[N@@H+](Cc2cnc(C(C)C)nc2)CC3)s1 ZINC000072397019 507782195 /nfs/dbraw/zinc/78/21/95/507782195.db2.gz KYYPBCHJYFPYDJ-UHFFFAOYSA-N 1 2 369.494 2.738 40 0 FFABLO Cc1cc2c(nc3n(c2=O)CC[N@H+](Cc2cnc(C(C)C)nc2)CC3)s1 ZINC000072397019 507782198 /nfs/dbraw/zinc/78/21/98/507782198.db2.gz KYYPBCHJYFPYDJ-UHFFFAOYSA-N 1 2 369.494 2.738 40 0 FFABLO CCOc1ccc([C@H]([NH3+])c2nnc(-c3ccc(OC)cc3)[nH]2)cc1OC ZINC000095534224 508197753 /nfs/dbraw/zinc/19/77/53/508197753.db2.gz YIUWTLPAJYPEAJ-KRWDZBQOSA-N 1 2 354.410 2.936 40 0 FFABLO CCOc1ccc([C@H]([NH3+])c2nc(-c3ccc(OC)cc3)n[nH]2)cc1OC ZINC000095534224 508197754 /nfs/dbraw/zinc/19/77/54/508197754.db2.gz YIUWTLPAJYPEAJ-KRWDZBQOSA-N 1 2 354.410 2.936 40 0 FFABLO COCCCNC(=O)[C@@H]1c2c([nH+]cn2C(C)C)CCN1Cc1ccccc1 ZINC000096037523 508202884 /nfs/dbraw/zinc/20/28/84/508202884.db2.gz MKKHUUUARRIMAA-FQEVSTJZSA-N 1 2 370.497 2.716 40 0 FFABLO CCc1ccc(C(=O)N2CCCn3c(C[NH+]4CCCCC4)nnc3C2)cc1 ZINC000096084789 508205344 /nfs/dbraw/zinc/20/53/44/508205344.db2.gz YXSDSTYXJQKJQB-UHFFFAOYSA-N 1 2 367.497 2.873 40 0 FFABLO Cc1cc2nc(CO[C@H]3CN(Cc4[nH+]ccn4C)C[C@H]3F)[nH]c2cc1C ZINC000096112351 508206624 /nfs/dbraw/zinc/20/66/24/508206624.db2.gz MTHGVHPCVQVONZ-PBHICJAKSA-N 1 2 357.433 2.652 40 0 biogenic,in-vitro FFABLO Cc1cc2nc(CO[C@H]3C[N@H+](Cc4cnn(C)c4)C[C@H]3F)[nH]c2cc1C ZINC000096112358 508206646 /nfs/dbraw/zinc/20/66/46/508206646.db2.gz HUXAGUKATUZLQH-QAPCUYQASA-N 1 2 357.433 2.652 40 0 biogenic,in-vitro FFABLO Cc1cc2nc(CO[C@H]3C[N@@H+](Cc4cnn(C)c4)C[C@H]3F)[nH]c2cc1C ZINC000096112358 508206649 /nfs/dbraw/zinc/20/66/49/508206649.db2.gz HUXAGUKATUZLQH-QAPCUYQASA-N 1 2 357.433 2.652 40 0 biogenic,in-vitro FFABLO COc1ccccc1C[N@@H+]1C[C@@H](F)[C@@H](OCc2nc3cccnc3[nH]2)C1 ZINC000096112145 508206832 /nfs/dbraw/zinc/20/68/32/508206832.db2.gz XXWVGDOXZWULEM-PBHICJAKSA-N 1 2 356.401 2.706 40 0 biogenic,in-vitro FFABLO COc1ccccc1C[N@H+]1C[C@@H](F)[C@@H](OCc2nc3cccnc3[nH]2)C1 ZINC000096112145 508206835 /nfs/dbraw/zinc/20/68/35/508206835.db2.gz XXWVGDOXZWULEM-PBHICJAKSA-N 1 2 356.401 2.706 40 0 biogenic,in-vitro FFABLO Fc1cccnc1OC[C@H]1Cn2c[nH+]cc2CN(Cc2nccs2)C1 ZINC000096209570 508210502 /nfs/dbraw/zinc/21/05/02/508210502.db2.gz WFWOENFHURBSKP-CYBMUJFWSA-N 1 2 359.430 2.585 40 0 FFABLO C[C@@H](CNC(=O)C1=NO[C@]2(CC[N@H+](Cc3ccoc3)C2)C1)c1ccccc1 ZINC000096225704 508210893 /nfs/dbraw/zinc/21/08/93/508210893.db2.gz YBHZOCCRHFCMBX-HRAATJIYSA-N 1 2 367.449 2.920 40 0 FFABLO C[C@@H](CNC(=O)C1=NO[C@]2(CC[N@@H+](Cc3ccoc3)C2)C1)c1ccccc1 ZINC000096225704 508210896 /nfs/dbraw/zinc/21/08/96/508210896.db2.gz YBHZOCCRHFCMBX-HRAATJIYSA-N 1 2 367.449 2.920 40 0 FFABLO Cc1ccsc1C[N@@H+]1Cc2ncn(C)c2[C@@H](C(=O)NC2CCCC2)C1 ZINC000248070264 509229950 /nfs/dbraw/zinc/22/99/50/509229950.db2.gz XGSXFTPXLICFLE-HNNXBMFYSA-N 1 2 358.511 2.948 40 0 FFABLO Cc1ccsc1C[N@H+]1Cc2ncn(C)c2[C@@H](C(=O)NC2CCCC2)C1 ZINC000248070264 509229957 /nfs/dbraw/zinc/22/99/57/509229957.db2.gz XGSXFTPXLICFLE-HNNXBMFYSA-N 1 2 358.511 2.948 40 0 FFABLO CCO[C@@](C)(CC)C(=O)Nc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000225650235 509382551 /nfs/dbraw/zinc/38/25/51/509382551.db2.gz RDCJWIIVFIURIU-IBGZPJMESA-N 1 2 350.459 2.541 40 0 FFABLO c1cc(C[NH+]2CC3(C2)C[C@H](CCOCC2CCOCC2)CCO3)ccn1 ZINC000247844241 510871446 /nfs/dbraw/zinc/87/14/46/510871446.db2.gz MDBRXEMSXCUJLS-GOSISDBHSA-N 1 2 360.498 2.896 40 0 FFABLO C[C@@H](c1nccs1)[NH+]1CCN(c2ncnc3c2ncn3C2CC2)CC1 ZINC000292676040 511682374 /nfs/dbraw/zinc/68/23/74/511682374.db2.gz IELLYJTXKSAPND-LBPRGKRZSA-N 1 2 355.471 2.501 40 0 FFABLO c1coc(C[N@@H+]2CCO[C@H](c3nnn4cc(-c5ccncc5)ccc34)C2)c1 ZINC000306129436 511760897 /nfs/dbraw/zinc/76/08/97/511760897.db2.gz IDFFOJKCJSOOGM-IBGZPJMESA-N 1 2 361.405 2.958 40 0 FFABLO c1coc(C[N@H+]2CCO[C@H](c3nnn4cc(-c5ccncc5)ccc34)C2)c1 ZINC000306129436 511760902 /nfs/dbraw/zinc/76/09/02/511760902.db2.gz IDFFOJKCJSOOGM-IBGZPJMESA-N 1 2 361.405 2.958 40 0 FFABLO C[C@@H](CO)Nc1nc(Nc2cccc(OC(F)(F)F)c2)cc(C2CC2)[nH+]1 ZINC000328955918 511955863 /nfs/dbraw/zinc/95/58/63/511955863.db2.gz ADXRVHURCCSUMF-JTQLQIEISA-N 1 2 368.359 2.633 40 0 FFABLO CSc1cccc(Nc2cc(-c3ccccc3)[nH+]c(NCCO)n2)c1 ZINC000328965994 511958287 /nfs/dbraw/zinc/95/82/87/511958287.db2.gz CIFMFZIOGMUJFW-UHFFFAOYSA-N 1 2 352.463 2.857 40 0 FFABLO CC1CCN(C(=O)[C@@H]2C[N@H+](Cc3ccsc3)Cc3ncn(C)c32)CC1 ZINC000585110838 518542278 /nfs/dbraw/zinc/54/22/78/518542278.db2.gz MISMVDUUOVQZRX-MRXNPFEDSA-N 1 2 358.511 2.840 40 0 FFABLO CC1CCN(C(=O)[C@@H]2C[N@@H+](Cc3ccsc3)Cc3ncn(C)c32)CC1 ZINC000585110838 518542284 /nfs/dbraw/zinc/54/22/84/518542284.db2.gz MISMVDUUOVQZRX-MRXNPFEDSA-N 1 2 358.511 2.840 40 0 FFABLO O=C(NCC[C@@H]1C[N@H+](Cc2ccsc2)Cc2ccnn21)c1ccco1 ZINC000585111741 518543442 /nfs/dbraw/zinc/54/34/42/518543442.db2.gz AEDONBRTFLCLDC-OAHLLOKOSA-N 1 2 356.451 2.915 40 0 FFABLO O=C(NCC[C@@H]1C[N@@H+](Cc2ccsc2)Cc2ccnn21)c1ccco1 ZINC000585111741 518543445 /nfs/dbraw/zinc/54/34/45/518543445.db2.gz AEDONBRTFLCLDC-OAHLLOKOSA-N 1 2 356.451 2.915 40 0 FFABLO O=C(NCC[C@H]1C[N@H+](Cc2ccccc2)Cc2ccnn21)c1cccnc1 ZINC000585112485 518543460 /nfs/dbraw/zinc/54/34/60/518543460.db2.gz RXJSPUHMHRXZRR-IBGZPJMESA-N 1 2 361.449 2.655 40 0 FFABLO O=C(NCC[C@H]1C[N@@H+](Cc2ccccc2)Cc2ccnn21)c1cccnc1 ZINC000585112485 518543465 /nfs/dbraw/zinc/54/34/65/518543465.db2.gz RXJSPUHMHRXZRR-IBGZPJMESA-N 1 2 361.449 2.655 40 0 FFABLO Cc1ccccc1C[N@H+]1Cc2ccnn2[C@H](CNC(=O)N2CCCC2)C1 ZINC000585112096 518543491 /nfs/dbraw/zinc/54/34/91/518543491.db2.gz LBVJJQCTRPGJDE-LJQANCHMSA-N 1 2 353.470 2.554 40 0 FFABLO Cc1ccccc1C[N@@H+]1Cc2ccnn2[C@H](CNC(=O)N2CCCC2)C1 ZINC000585112096 518543497 /nfs/dbraw/zinc/54/34/97/518543497.db2.gz LBVJJQCTRPGJDE-LJQANCHMSA-N 1 2 353.470 2.554 40 0 FFABLO Cc1cccc(C[N@H+]2Cc3ccnn3[C@H](CNC(=O)N3CCCC3)C2)c1 ZINC000585112482 518543953 /nfs/dbraw/zinc/54/39/53/518543953.db2.gz QALYXAKFBLRFLK-LJQANCHMSA-N 1 2 353.470 2.554 40 0 FFABLO Cc1cccc(C[N@@H+]2Cc3ccnn3[C@H](CNC(=O)N3CCCC3)C2)c1 ZINC000585112482 518543960 /nfs/dbraw/zinc/54/39/60/518543960.db2.gz QALYXAKFBLRFLK-LJQANCHMSA-N 1 2 353.470 2.554 40 0 FFABLO CCC[C@H](c1nnnn1C[C@H]1CCCO1)[NH+]1CCN(c2ccccc2)CC1 ZINC000057670301 535722934 /nfs/dbraw/zinc/72/29/34/535722934.db2.gz YTMVMNAFXNQTGJ-RTBURBONSA-N 1 2 370.501 2.516 40 0 FFABLO Cc1ncccc1Oc1cncc([C@H]2CCC[N@@H+]2CC(=O)N2CCCC2)n1 ZINC000072383628 571188679 /nfs/dbraw/zinc/18/86/79/571188679.db2.gz QPLYBKGUIGXYHJ-QGZVFWFLSA-N 1 2 367.453 2.732 40 0 FFABLO Cc1ncccc1Oc1cncc([C@H]2CCC[N@H+]2CC(=O)N2CCCC2)n1 ZINC000072383628 571188682 /nfs/dbraw/zinc/18/86/82/571188682.db2.gz QPLYBKGUIGXYHJ-QGZVFWFLSA-N 1 2 367.453 2.732 40 0 FFABLO OCCNc1nc(NCc2cccc(Cl)c2)cc(-c2ccccc2)[nH+]1 ZINC000328987037 203845180 /nfs/dbraw/zinc/84/51/80/203845180.db2.gz IADGRGCEEVITCL-UHFFFAOYSA-N 1 2 354.841 2.657 40 0 FFABLO CC(C)NC(=O)N1Cc2[nH+]c[nH]c2C[C@H]1c1nc(-c2ccccc2)no1 ZINC000015707180 206316339 /nfs/dbraw/zinc/31/63/39/206316339.db2.gz AGVSFIRZGBNEBN-HNNXBMFYSA-N 1 2 352.398 2.677 40 0 biogenic,in-vitro FFABLO CC(C)NC(=O)N1Cc2[nH]c[nH+]c2C[C@H]1c1nc(-c2ccccc2)no1 ZINC000015707180 206316343 /nfs/dbraw/zinc/31/63/43/206316343.db2.gz AGVSFIRZGBNEBN-HNNXBMFYSA-N 1 2 352.398 2.677 40 0 biogenic,in-vitro FFABLO CC[C@H](c1nnnn1C(C)(C)C)N1CC[NH+](Cc2ccccc2OC)CC1 ZINC000019500575 206326848 /nfs/dbraw/zinc/32/68/48/206326848.db2.gz USKBUFJTKBRBKA-QGZVFWFLSA-N 1 2 372.517 2.706 40 0 FFABLO O[C@@H](COc1ccccc1Cl)C[NH+]1CCN(Cc2ccccc2)CC1 ZINC000022874227 206395502 /nfs/dbraw/zinc/39/55/02/206395502.db2.gz IQUVZTCUUGBRMO-GOSISDBHSA-N 1 2 360.885 2.898 40 0 FFABLO Cc1ccc(O)c(C[NH+]2CCN(C(=O)c3cc4ccccc4[nH]3)CC2)n1 ZINC000092789335 250002143 /nfs/dbraw/zinc/00/21/43/250002143.db2.gz OAWVQKRDRSWLDU-UHFFFAOYSA-N 1 2 350.422 2.535 40 0 FFABLO Cc1cc(N2CCC[C@@](C)(C(=O)NC3Cc4ccccc4C3)C2)nc[nH+]1 ZINC000257309275 132296789 /nfs/dbraw/zinc/29/67/89/132296789.db2.gz UAHSSXRNBSCOSU-OAQYLSRUSA-N 1 2 350.466 2.675 40 0 FFABLO COC(=O)C1=C(C(=O)OC)[C@@H]2CCC[C@H]1[C@H]1N=[NH+]N(c3ccccc3)[C@@H]12 ZINC000033653782 506361446 /nfs/dbraw/zinc/36/14/46/506361446.db2.gz VJUBMAIKLRQXPC-DLTLXFJOSA-N 1 2 355.394 2.684 40 0 FFABLO CCOc1ccc(C[N@@H+]2CCc3c(N)nc(N4CCCC4)nc3C2)cc1 ZINC000012222196 506837409 /nfs/dbraw/zinc/83/74/09/506837409.db2.gz SCUXXYAATOMWDE-UHFFFAOYSA-N 1 2 353.470 2.616 40 0 FFABLO CCOc1ccc(C[N@H+]2CCc3c(N)nc(N4CCCC4)nc3C2)cc1 ZINC000012222196 506837416 /nfs/dbraw/zinc/83/74/16/506837416.db2.gz SCUXXYAATOMWDE-UHFFFAOYSA-N 1 2 353.470 2.616 40 0 FFABLO CCOc1ccc(CN2CCc3c(N)nc(N4CCCC4)[nH+]c3C2)cc1 ZINC000012222196 506837420 /nfs/dbraw/zinc/83/74/20/506837420.db2.gz SCUXXYAATOMWDE-UHFFFAOYSA-N 1 2 353.470 2.616 40 0 FFABLO Cc1ccc(C[N@@H+](C)Cc2nnc3n2c2ccccc2c(=O)n3C)c(C)c1 ZINC000012534360 506874991 /nfs/dbraw/zinc/87/49/91/506874991.db2.gz QRKYBXNSWUCKAW-UHFFFAOYSA-N 1 2 361.449 2.830 40 0 FFABLO Cc1ccc(C[N@H+](C)Cc2nnc3n2c2ccccc2c(=O)n3C)c(C)c1 ZINC000012534360 506874994 /nfs/dbraw/zinc/87/49/94/506874994.db2.gz QRKYBXNSWUCKAW-UHFFFAOYSA-N 1 2 361.449 2.830 40 0 FFABLO Cn1ccnc1[C@@H](O)c1cccc(F)c1N1CC[NH+](Cc2ccco2)CC1 ZINC000019291284 507162244 /nfs/dbraw/zinc/16/22/44/507162244.db2.gz CECXCHROIUNYJR-IBGZPJMESA-N 1 2 370.428 2.556 40 0 FFABLO C[C@@H]1CCCCN1c1nc2c(c(=O)[nH]1)CC[N@H+](Cc1ccccc1F)C2 ZINC000019496421 507171241 /nfs/dbraw/zinc/17/12/41/507171241.db2.gz VVFQNPOIQYPKJR-CQSZACIVSA-N 1 2 356.445 2.846 40 0 FFABLO C[C@@H]1CCCCN1c1nc2c(c(=O)[nH]1)CC[N@@H+](Cc1ccccc1F)C2 ZINC000019496421 507171247 /nfs/dbraw/zinc/17/12/47/507171247.db2.gz VVFQNPOIQYPKJR-CQSZACIVSA-N 1 2 356.445 2.846 40 0 FFABLO C[N@@H+]1CCCC[C@@H]1c1ncc2c(n1)CCN(C(=O)COc1ccccc1)C2 ZINC000019588908 507183006 /nfs/dbraw/zinc/18/30/06/507183006.db2.gz BIBCLQRWVPXORR-LJQANCHMSA-N 1 2 366.465 2.597 40 0 FFABLO C[N@H+]1CCCC[C@@H]1c1ncc2c(n1)CCN(C(=O)COc1ccccc1)C2 ZINC000019588908 507183014 /nfs/dbraw/zinc/18/30/14/507183014.db2.gz BIBCLQRWVPXORR-LJQANCHMSA-N 1 2 366.465 2.597 40 0 FFABLO CCn1c(C)[nH+]c2cc(NC(=O)c3cnc4sccn4c3=O)ccc21 ZINC000019656597 507188120 /nfs/dbraw/zinc/18/81/20/507188120.db2.gz IYUJTKPLEKLJFG-UHFFFAOYSA-N 1 2 353.407 2.686 40 0 FFABLO Cc1cc(C(=O)N[C@H](Cn2cc[nH+]c2)C(C)(C)C)nc(N2CCCCC2)n1 ZINC000019660416 507188798 /nfs/dbraw/zinc/18/87/98/507188798.db2.gz QOSDEEPEVUYAOR-QGZVFWFLSA-N 1 2 370.501 2.817 40 0 FFABLO Cc1cc(CCCC(=O)N2CCC[C@@H]2c2nnc3n2CC[NH2+]C3)ccc1F ZINC000019705506 507191968 /nfs/dbraw/zinc/19/19/68/507191968.db2.gz NGMQHXVSBJOKEC-QGZVFWFLSA-N 1 2 371.460 2.515 40 0 FFABLO CCc1[nH+]ccn1-c1cccc(C2CCN(C(=O)c3cc[nH]n3)CC2)n1 ZINC000072378572 507781295 /nfs/dbraw/zinc/78/12/95/507781295.db2.gz MVMLXHCBGFYVKE-UHFFFAOYSA-N 1 2 350.426 2.573 40 0 FFABLO CCc1[nH+]ccn1-c1cccc(C2CCN(C(=O)c3ccn[nH]3)CC2)n1 ZINC000072378572 507781296 /nfs/dbraw/zinc/78/12/96/507781296.db2.gz MVMLXHCBGFYVKE-UHFFFAOYSA-N 1 2 350.426 2.573 40 0 FFABLO CCOc1cc([C@H]([NH3+])c2nc(COc3ccccc3)n[nH]2)ccc1OC ZINC000095534360 508197814 /nfs/dbraw/zinc/19/78/14/508197814.db2.gz GZJYKIIDVIZABK-SFHVURJKSA-N 1 2 354.410 2.839 40 0 FFABLO CCOc1cc([C@@H]([NH3+])c2nc(COc3ccccc3)n[nH]2)ccc1OC ZINC000095534361 508198123 /nfs/dbraw/zinc/19/81/23/508198123.db2.gz GZJYKIIDVIZABK-GOSISDBHSA-N 1 2 354.410 2.839 40 0 FFABLO CN(C)C(=O)N1CCC2(CC1)c1ncc(-c3cccc(F)c3)n1CC[N@H+]2C ZINC000096036975 508203150 /nfs/dbraw/zinc/20/31/50/508203150.db2.gz PLHZLEKNEULTRK-UHFFFAOYSA-N 1 2 371.460 2.607 40 0 FFABLO CN(C)C(=O)N1CCC2(CC1)c1ncc(-c3cccc(F)c3)n1CC[N@@H+]2C ZINC000096036975 508203153 /nfs/dbraw/zinc/20/31/53/508203153.db2.gz PLHZLEKNEULTRK-UHFFFAOYSA-N 1 2 371.460 2.607 40 0 FFABLO C[C@@H](CNC(=O)C1=NO[C@@]2(CCN(c3cccc[nH+]3)C2)C1)c1ccccc1 ZINC000096074528 508205487 /nfs/dbraw/zinc/20/54/87/508205487.db2.gz JFAYIWNXFKYPAW-KKSFZXQISA-N 1 2 364.449 2.727 40 0 FFABLO CCN1C(=O)C[C@@H](c2ccccc2)C12CC[NH+](Cc1nccn1C)CC2 ZINC000096199674 508210682 /nfs/dbraw/zinc/21/06/82/508210682.db2.gz HTCVUGGZIKOUOV-SFHVURJKSA-N 1 2 352.482 2.791 40 0 FFABLO COc1ccc(C[N@@H+]2CCc3nc(NC(C)C)nc(N(C)C)c3C2)cc1 ZINC000096254037 508212837 /nfs/dbraw/zinc/21/28/37/508212837.db2.gz UKDZJTOAECBPLQ-UHFFFAOYSA-N 1 2 355.486 2.930 40 0 FFABLO COc1ccc(C[N@H+]2CCc3nc(NC(C)C)nc(N(C)C)c3C2)cc1 ZINC000096254037 508212839 /nfs/dbraw/zinc/21/28/39/508212839.db2.gz UKDZJTOAECBPLQ-UHFFFAOYSA-N 1 2 355.486 2.930 40 0 FFABLO Cc1cc(C[N@H+]2Cc3cccn3[C@@H](CCOCC3CCOCC3)C2)n(C)n1 ZINC000248001698 509213139 /nfs/dbraw/zinc/21/31/39/509213139.db2.gz APCFKCVVFZLQKG-FQEVSTJZSA-N 1 2 372.513 2.920 40 0 FFABLO Cc1cc(C[N@@H+]2Cc3cccn3[C@@H](CCOCC3CCOCC3)C2)n(C)n1 ZINC000248001698 509213141 /nfs/dbraw/zinc/21/31/41/509213141.db2.gz APCFKCVVFZLQKG-FQEVSTJZSA-N 1 2 372.513 2.920 40 0 FFABLO Cn1cccc1C(=O)NCC[C@H]1C[N@H+](Cc2ccccc2)Cc2ccnn21 ZINC000248081287 509231952 /nfs/dbraw/zinc/23/19/52/509231952.db2.gz AKIFUPDEQABQCR-SFHVURJKSA-N 1 2 363.465 2.599 40 0 FFABLO Cn1cccc1C(=O)NCC[C@H]1C[N@@H+](Cc2ccccc2)Cc2ccnn21 ZINC000248081287 509231959 /nfs/dbraw/zinc/23/19/59/509231959.db2.gz AKIFUPDEQABQCR-SFHVURJKSA-N 1 2 363.465 2.599 40 0 FFABLO CCC[C@@](C)(OC)C(=O)Nc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000225611326 509380546 /nfs/dbraw/zinc/38/05/46/509380546.db2.gz POLVOSUJWDEXDN-LJQANCHMSA-N 1 2 350.459 2.541 40 0 FFABLO COc1ccc(C[NH+]2CC3(C2)OCC[C@H]3CCNc2ncc(C)cn2)cc1 ZINC000253600397 509901235 /nfs/dbraw/zinc/90/12/35/509901235.db2.gz MWVSPMNWWGRHLD-GOSISDBHSA-N 1 2 368.481 2.887 40 0 FFABLO Cc1cccc(C[NH+]2CC3(C2)C[C@H](CCOc2cncc(C)n2)CCO3)n1 ZINC000253601293 509903095 /nfs/dbraw/zinc/90/30/95/509903095.db2.gz ONSXYUWDQXKHOP-GOSISDBHSA-N 1 2 368.481 2.939 40 0 FFABLO Cc1ncc(C[N@@H+]2CCO[C@H](c3cccc(Nc4cnccn4)n3)C2)s1 ZINC000257234667 509962079 /nfs/dbraw/zinc/96/20/79/509962079.db2.gz GUOODRZJNJMIQW-INIZCTEOSA-N 1 2 368.466 2.954 40 0 FFABLO Cc1ncc(C[N@H+]2CCO[C@H](c3cccc(Nc4cnccn4)n3)C2)s1 ZINC000257234667 509962084 /nfs/dbraw/zinc/96/20/84/509962084.db2.gz GUOODRZJNJMIQW-INIZCTEOSA-N 1 2 368.466 2.954 40 0 FFABLO Cc1cc(Nc2cc(CC3CCN(C(=O)C(C)(C)C)CC3)[nH+]c(N)n2)n[nH]1 ZINC000257259840 509966412 /nfs/dbraw/zinc/96/64/12/509966412.db2.gz LAGYVGBNRVQPME-UHFFFAOYSA-N 1 2 371.489 2.661 40 0 FFABLO Cc1[nH+]cc(-c2nccnc2[C@H]2CCCN(C(=O)c3ccccn3)C2)n1C ZINC000257299587 509975597 /nfs/dbraw/zinc/97/55/97/509975597.db2.gz RQRPFUGKSGNUBC-HNNXBMFYSA-N 1 2 362.437 2.600 40 0 FFABLO Cc1cccc(COCC[C@H]2CCOC23C[NH+](Cc2ccncc2)C3)n1 ZINC000247851646 510871416 /nfs/dbraw/zinc/87/14/16/510871416.db2.gz ASAXJNKIBFVQPE-IBGZPJMESA-N 1 2 353.466 2.983 40 0 FFABLO CC(C)[C@H](CO)Nc1nc(Nc2ccc3c(c2)OCO3)cc(C2CC2)[nH+]1 ZINC000329068773 511976264 /nfs/dbraw/zinc/97/62/64/511976264.db2.gz YSRIAJWKIZBJLZ-HNNXBMFYSA-N 1 2 356.426 3.255 40 0 FFABLO CO[C@@H]1CN(C(=O)CCCn2cc[nH+]c2)CC[C@@H]1Cc1ccc(F)cc1 ZINC000585279461 518553616 /nfs/dbraw/zinc/55/36/16/518553616.db2.gz MNQABQQBIAGPGA-IEBWSBKVSA-N 1 2 359.445 2.909 40 0 FFABLO CCOc1ccc(S(=O)(=O)NCc2ccccc2-n2cc[nH+]c2)cc1 ZINC000020041276 521204179 /nfs/dbraw/zinc/20/41/79/521204179.db2.gz AYARMBCJWREKTD-UHFFFAOYSA-N 1 2 357.435 2.750 40 0 FFABLO COc1cccc(O[C@H](C)C(=O)NCc2ccccc2-n2cc[nH+]c2)c1 ZINC000020111606 526238838 /nfs/dbraw/zinc/23/88/38/526238838.db2.gz KSNNCHCWZPFLAW-OAHLLOKOSA-N 1 2 351.406 2.965 40 0 FFABLO OC1CC[NH+]([C@H](c2cccs2)c2nnnn2CCc2ccccc2)CC1 ZINC000020143304 527516710 /nfs/dbraw/zinc/51/67/10/527516710.db2.gz OLOKJFVXTZTHEK-GOSISDBHSA-N 1 2 369.494 2.523 40 0 FFABLO CC(C)c1nnc(CCC(=O)N(C)[C@H]2CCCN(c3cccc[nH+]3)C2)o1 ZINC000257340578 534952555 /nfs/dbraw/zinc/95/25/55/534952555.db2.gz ZGTRBNPUDFWYAW-HNNXBMFYSA-N 1 2 357.458 2.648 40 0 FFABLO O=c1c2cnc3c(-c4ccccc4)cnn3c2ccn1CCc1c[nH+]c[nH]1 ZINC000040387748 205067755 /nfs/dbraw/zinc/06/77/55/205067755.db2.gz DCXAHJKOTVVXLE-UHFFFAOYSA-N 1 2 356.389 2.677 40 0 FFABLO O=c1c2cnc3c(-c4ccccc4)cnn3c2ccn1CCc1c[nH]c[nH+]1 ZINC000040387748 205067759 /nfs/dbraw/zinc/06/77/59/205067759.db2.gz DCXAHJKOTVVXLE-UHFFFAOYSA-N 1 2 356.389 2.677 40 0 FFABLO COc1ncc(C[N@H+](Cc2ccncc2)Cc2ccc3c(c2)OCO3)cn1 ZINC000013989818 206307462 /nfs/dbraw/zinc/30/74/62/206307462.db2.gz YYYRRBPICGYKCJ-UHFFFAOYSA-N 1 2 364.405 2.811 40 0 FFABLO COc1ncc(C[N@@H+](Cc2ccncc2)Cc2ccc3c(c2)OCO3)cn1 ZINC000013989818 206307465 /nfs/dbraw/zinc/30/74/65/206307465.db2.gz YYYRRBPICGYKCJ-UHFFFAOYSA-N 1 2 364.405 2.811 40 0 FFABLO Fc1ccc(-n2ccc(-c3nc([C@H]4C[N@@H+]5CCCC[C@@H]5CO4)no3)n2)cc1 ZINC000278133066 256280000 /nfs/dbraw/zinc/28/00/00/256280000.db2.gz RFTDDZKBOSGWOQ-NVXWUHKLSA-N 1 2 369.400 2.987 40 0 FFABLO Fc1ccc(-n2ccc(-c3nc([C@H]4C[N@H+]5CCCC[C@@H]5CO4)no3)n2)cc1 ZINC000278133066 256280002 /nfs/dbraw/zinc/28/00/02/256280002.db2.gz RFTDDZKBOSGWOQ-NVXWUHKLSA-N 1 2 369.400 2.987 40 0 FFABLO CC[C@H](C(=O)Nc1c[nH+]c(N2CCOCC2)nc1N(C)C)c1ccccc1 ZINC000224361197 132283386 /nfs/dbraw/zinc/28/33/86/132283386.db2.gz MMEAPYOBNZWQPR-INIZCTEOSA-N 1 2 369.469 2.512 40 0 FFABLO CN(C(=O)c1cccc2c1OCCO2)[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000257237792 132295562 /nfs/dbraw/zinc/29/55/62/132295562.db2.gz HIFDRVPNSCUMCG-OAHLLOKOSA-N 1 2 353.422 2.594 40 0 FFABLO COCCN1c2ccccc2NC2(CC[NH+](Cc3nccs3)CC2)C1=O ZINC000306140814 132301886 /nfs/dbraw/zinc/30/18/86/132301886.db2.gz VEOXGVJKFMIBPG-UHFFFAOYSA-N 1 2 372.494 2.583 40 0 FFABLO C[C@H]1C[C@H](C)CN(C(=O)CN2c3ccccc3C3=[NH+]CCCN3C2=O)C1 ZINC000072335728 136144589 /nfs/dbraw/zinc/14/45/89/136144589.db2.gz MIWFWYUQICFDQS-GJZGRUSLSA-N 1 2 354.454 2.583 40 0 FFABLO CC[C@]12CCC[N@@H+]3CCc4c5ccccc5n(c4[C@@H]31)[C@@](O)(C(=O)OC)C2 ZINC000000608128 506224405 /nfs/dbraw/zinc/22/44/05/506224405.db2.gz RXPRRQLKFXBCSJ-NRSPTQNISA-N 1 2 354.450 2.953 40 0 FFABLO CC[C@]12CCC[N@H+]3CCc4c5ccccc5n(c4[C@@H]31)[C@@](O)(C(=O)OC)C2 ZINC000000608128 506224410 /nfs/dbraw/zinc/22/44/10/506224410.db2.gz RXPRRQLKFXBCSJ-NRSPTQNISA-N 1 2 354.450 2.953 40 0 FFABLO Cc1cccnc1C[NH+]1CCN(C(=O)[C@H](C)Oc2ccccc2F)CC1 ZINC000019237802 507162618 /nfs/dbraw/zinc/16/26/18/507162618.db2.gz WMWJJOJRFYQDJK-INIZCTEOSA-N 1 2 357.429 2.641 40 0 FFABLO Cc1csc2c([C@H]3CCCN(C(=O)c4ccc(=O)n(C)c4)C3)[nH+]c(C)n12 ZINC000019240436 507163233 /nfs/dbraw/zinc/16/32/33/507163233.db2.gz UGWQCOVMAPSSKE-AWEZNQCLSA-N 1 2 370.478 2.731 40 0 FFABLO CC[C@H](C)NC(=O)C[N@@H+]1CCC[C@@H](n2c(=O)oc3ccc(Cl)cc32)C1 ZINC000019499968 507174709 /nfs/dbraw/zinc/17/47/09/507174709.db2.gz YEIZWHGFDJNFSV-GXTWGEPZSA-N 1 2 365.861 2.800 40 0 FFABLO CC[C@H](C)NC(=O)C[N@H+]1CCC[C@@H](n2c(=O)oc3ccc(Cl)cc32)C1 ZINC000019499968 507174716 /nfs/dbraw/zinc/17/47/16/507174716.db2.gz YEIZWHGFDJNFSV-GXTWGEPZSA-N 1 2 365.861 2.800 40 0 FFABLO Cc1c(NC(=O)C[N@@H+]2CCC[C@H](COc3ccc(F)cc3)C2)cnn1C ZINC000019553801 507178684 /nfs/dbraw/zinc/17/86/84/507178684.db2.gz LTPYDJHBPJUFAV-HNNXBMFYSA-N 1 2 360.433 2.597 40 0 FFABLO Cc1c(NC(=O)C[N@H+]2CCC[C@H](COc3ccc(F)cc3)C2)cnn1C ZINC000019553801 507178692 /nfs/dbraw/zinc/17/86/92/507178692.db2.gz LTPYDJHBPJUFAV-HNNXBMFYSA-N 1 2 360.433 2.597 40 0 FFABLO Cc1occc1-c1nc(NCC[NH+]2CCOCC2)ncc1-c1ccccn1 ZINC000019583085 507183977 /nfs/dbraw/zinc/18/39/77/507183977.db2.gz KBCKCTZDIRUWLG-UHFFFAOYSA-N 1 2 365.437 2.851 40 0 FFABLO C[C@]12CCC(=O)N1[C@@H]1CCCC[C@@H]1[N@@H+]2Cc1ccnc(N2CCCC2)n1 ZINC000072348148 507779347 /nfs/dbraw/zinc/77/93/47/507779347.db2.gz MZVMLDYPOWALEQ-SQGPQFPESA-N 1 2 355.486 2.542 40 0 FFABLO C[C@]12CCC(=O)N1[C@@H]1CCCC[C@@H]1[N@H+]2Cc1ccnc(N2CCCC2)n1 ZINC000072348148 507779348 /nfs/dbraw/zinc/77/93/48/507779348.db2.gz MZVMLDYPOWALEQ-SQGPQFPESA-N 1 2 355.486 2.542 40 0 FFABLO CCOc1ccc(-c2nnc([C@@H]([NH3+])c3cccc(OC)c3)[nH]2)cc1OC ZINC000095533635 508198114 /nfs/dbraw/zinc/19/81/14/508198114.db2.gz SWBRWVGOYHVIMB-KRWDZBQOSA-N 1 2 354.410 2.936 40 0 FFABLO Cn1nnc2c1[C@@H](COCc1ccncc1)C[N@H+](Cc1cccs1)C2 ZINC000096060740 508205621 /nfs/dbraw/zinc/20/56/21/508205621.db2.gz MYBXMKQMAYFFDC-OAHLLOKOSA-N 1 2 355.467 2.588 40 0 FFABLO Cn1nnc2c1[C@@H](COCc1ccncc1)C[N@@H+](Cc1cccs1)C2 ZINC000096060740 508205622 /nfs/dbraw/zinc/20/56/22/508205622.db2.gz MYBXMKQMAYFFDC-OAHLLOKOSA-N 1 2 355.467 2.588 40 0 FFABLO Cc1occc1C(=O)N1Cc2c[nH+]cn2C[C@@H](COc2ccccn2)C1 ZINC000096206227 508210508 /nfs/dbraw/zinc/21/05/08/508210508.db2.gz PYZBYDLWLZHLDL-HNNXBMFYSA-N 1 2 352.394 2.531 40 0 FFABLO CC(C)n1cnc2c1[C@H](C(=O)NCCc1ccccn1)[N@@H+](C(C)C)CC2 ZINC000096264999 508212692 /nfs/dbraw/zinc/21/26/92/508212692.db2.gz AKEMYQGKLQYGLX-LJQANCHMSA-N 1 2 355.486 2.526 40 0 FFABLO CC(C)n1cnc2c1[C@H](C(=O)NCCc1ccccn1)[N@H+](C(C)C)CC2 ZINC000096264999 508212695 /nfs/dbraw/zinc/21/26/95/508212695.db2.gz AKEMYQGKLQYGLX-LJQANCHMSA-N 1 2 355.486 2.526 40 0 FFABLO Cn1cc(C[N@H+]2Cc3cccn3[C@H](CCOCC3CCOCC3)C2)cn1 ZINC000248120777 509237134 /nfs/dbraw/zinc/23/71/34/509237134.db2.gz KAFXAAHLKJEAIC-HXUWFJFHSA-N 1 2 358.486 2.612 40 0 FFABLO Cn1cc(C[N@@H+]2Cc3cccn3[C@H](CCOCC3CCOCC3)C2)cn1 ZINC000248120777 509237142 /nfs/dbraw/zinc/23/71/42/509237142.db2.gz KAFXAAHLKJEAIC-HXUWFJFHSA-N 1 2 358.486 2.612 40 0 FFABLO COc1ccccc1C[N@H+]1Cc2ccnn2[C@@H](CCNC(=O)CC2CC2)C1 ZINC000248146362 509248511 /nfs/dbraw/zinc/24/85/11/509248511.db2.gz SSCYURSNANLZCD-SFHVURJKSA-N 1 2 368.481 2.755 40 0 FFABLO COc1ccccc1C[N@@H+]1Cc2ccnn2[C@@H](CCNC(=O)CC2CC2)C1 ZINC000248146362 509248512 /nfs/dbraw/zinc/24/85/12/509248512.db2.gz SSCYURSNANLZCD-SFHVURJKSA-N 1 2 368.481 2.755 40 0 FFABLO COc1cccc(NC(=O)Nc2c[nH+]c(N3CCCC3)nc2N(C)C)c1 ZINC000224141681 509355628 /nfs/dbraw/zinc/35/56/28/509355628.db2.gz HEWXESDAQCWEPD-UHFFFAOYSA-N 1 2 356.430 2.795 40 0 FFABLO Cc1cccc(NC(=S)NCc2ccccc2C[NH+]2CCOCC2)n1 ZINC000225778972 509388466 /nfs/dbraw/zinc/38/84/66/509388466.db2.gz DPDBPAQJQPKZKJ-UHFFFAOYSA-N 1 2 356.495 2.709 40 0 FFABLO CCN1C(=O)CC[C@@H](C(=O)NCCCn2cc[nH+]c2)[C@@H]1c1ccccc1F ZINC000257316975 509976347 /nfs/dbraw/zinc/97/63/47/509976347.db2.gz VHUCSXVQTZILED-APWZRJJASA-N 1 2 372.444 2.528 40 0 FFABLO Cc1c(CCC(=O)N2CCC[C@@H](c3cc[nH+]c(N(C)C)c3)C2)cnn1C ZINC000257311834 509976695 /nfs/dbraw/zinc/97/66/95/509976695.db2.gz ULEPVDYZKFLEMU-GOSISDBHSA-N 1 2 355.486 2.528 40 0 FFABLO Cc1c(CCC(=O)N2CCC[C@H](c3cc[nH+]c(N(C)C)c3)C2)cnn1C ZINC000257311835 509976707 /nfs/dbraw/zinc/97/67/07/509976707.db2.gz ULEPVDYZKFLEMU-SFHVURJKSA-N 1 2 355.486 2.528 40 0 FFABLO CCc1cc(C(=O)N2Cc3[nH+]ccn3C[C@H]2c2cccc(OC)c2)on1 ZINC000257315399 509977262 /nfs/dbraw/zinc/97/72/62/509977262.db2.gz VBDJKOXVSQBNPW-INIZCTEOSA-N 1 2 352.394 2.839 40 0 FFABLO CNC(=O)c1cnn2c1nccc2[C@@H]1CCCC[N@@H+]1Cc1cccc(C)n1 ZINC000257337286 509981866 /nfs/dbraw/zinc/98/18/66/509981866.db2.gz YSEJIKDCEGLPLU-KRWDZBQOSA-N 1 2 364.453 2.520 40 0 FFABLO CNC(=O)c1cnn2c1nccc2[C@@H]1CCCC[N@H+]1Cc1cccc(C)n1 ZINC000257337286 509981872 /nfs/dbraw/zinc/98/18/72/509981872.db2.gz YSEJIKDCEGLPLU-KRWDZBQOSA-N 1 2 364.453 2.520 40 0 FFABLO O=C(Cn1cc[nH+]c1)N1CCC[C@@H](c2ncc(Cc3ccccc3)o2)C1 ZINC000257344214 509982425 /nfs/dbraw/zinc/98/24/25/509982425.db2.gz ZWEDEDYHVVLOBZ-QGZVFWFLSA-N 1 2 350.422 2.868 40 0 FFABLO CCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@H]2c1ccco1 ZINC000261363685 509986233 /nfs/dbraw/zinc/98/62/33/509986233.db2.gz VUHKRRCZOIOCAH-QGZVFWFLSA-O 1 2 369.426 2.755 40 0 FFABLO Cc1nc(C(=O)N2C[C@@H]3c4[nH+]cc(-c5ccncc5)n4C[C@@H]3C2)cs1 ZINC000306140817 511762898 /nfs/dbraw/zinc/76/28/98/511762898.db2.gz VEQHGICILQCTKN-KBPBESRZSA-N 1 2 351.435 2.579 40 0 FFABLO c1cncc(-c2cc(NCCc3ccncc3)nc(NC3CCCC3)[nH+]2)c1 ZINC000328962558 511957208 /nfs/dbraw/zinc/95/72/08/511957208.db2.gz BIVJWTUXDOFTAM-UHFFFAOYSA-N 1 2 360.465 2.787 40 0 FFABLO CNc1nc(NCc2ccc(Br)cc2)cc(-c2ccncc2)[nH+]1 ZINC000328976816 511960209 /nfs/dbraw/zinc/96/02/09/511960209.db2.gz FQIMZXCOGPSKCS-UHFFFAOYSA-N 1 2 370.254 2.799 40 0 FFABLO C[C@@H](CO)Nc1nc(Nc2ccc(O)cc2Cl)cc(-c2ccccc2)[nH+]1 ZINC000329055339 511973785 /nfs/dbraw/zinc/97/37/85/511973785.db2.gz VMVBVWRSMKXPEF-LBPRGKRZSA-N 1 2 370.840 2.883 40 0 FFABLO COc1ccc(Nc2cc(-c3ccccc3)[nH+]c(N[C@@H](C)CO)n2)cc1F ZINC000329056154 511973886 /nfs/dbraw/zinc/97/38/86/511973886.db2.gz VRYIFUVZWABJMF-ZDUSSCGKSA-N 1 2 368.412 2.671 40 0 FFABLO COc1ccc(Nc2cc(-c3ccccc3)[nH+]c(N[C@H](C)CO)n2)cc1F ZINC000329056153 511974830 /nfs/dbraw/zinc/97/48/30/511974830.db2.gz VRYIFUVZWABJMF-CYBMUJFWSA-N 1 2 368.412 2.671 40 0 FFABLO CCOC[C@@H]1CCn2c[nH+]cc2CN1C(=O)c1ccc2ccccc2n1 ZINC000585097057 518532878 /nfs/dbraw/zinc/53/28/78/518532878.db2.gz GZZKMSCKVVSJLM-INIZCTEOSA-N 1 2 350.422 2.883 40 0 FFABLO CC1CCN(C(=O)[C@@H]2C[N@H+](Cc3cccs3)Cc3ncn(C)c32)CC1 ZINC000585110803 518542904 /nfs/dbraw/zinc/54/29/04/518542904.db2.gz ITHYZPRIABVEFF-MRXNPFEDSA-N 1 2 358.511 2.840 40 0 FFABLO CC1CCN(C(=O)[C@@H]2C[N@@H+](Cc3cccs3)Cc3ncn(C)c32)CC1 ZINC000585110803 518542908 /nfs/dbraw/zinc/54/29/08/518542908.db2.gz ITHYZPRIABVEFF-MRXNPFEDSA-N 1 2 358.511 2.840 40 0 FFABLO CO[C@H]1CCN(C(=O)c2nc3c(o2)CC[N@@H+]([C@H](C)c2ccccc2)C3)C1 ZINC000585111500 518544171 /nfs/dbraw/zinc/54/41/71/518544171.db2.gz BWCJKNCIBRVTBE-ZBFHGGJFSA-N 1 2 355.438 2.655 40 0 FFABLO CO[C@H]1CCN(C(=O)c2nc3c(o2)CC[N@H+]([C@H](C)c2ccccc2)C3)C1 ZINC000585111500 518544176 /nfs/dbraw/zinc/54/41/76/518544176.db2.gz BWCJKNCIBRVTBE-ZBFHGGJFSA-N 1 2 355.438 2.655 40 0 FFABLO O=C(NCc1ccc(-n2cc[nH+]c2)nc1)N1CCC[C@@H]([C@@H]2CCCCO2)C1 ZINC000685938955 568434590 /nfs/dbraw/zinc/43/45/90/568434590.db2.gz RBOSNICYGXADMX-MSOLQXFVSA-N 1 2 369.469 2.758 40 0 FFABLO CC[C@@H](C)n1nc(C(=O)N2CCC[N@H+](Cc3cnn(CC)c3)CC2)cc1C ZINC000679229662 570613804 /nfs/dbraw/zinc/61/38/04/570613804.db2.gz IHUKLTCMMWFZEP-MRXNPFEDSA-N 1 2 372.517 2.727 40 0 FFABLO CC[C@@H](C)n1nc(C(=O)N2CCC[N@@H+](Cc3cnn(CC)c3)CC2)cc1C ZINC000679229662 570613806 /nfs/dbraw/zinc/61/38/06/570613806.db2.gz IHUKLTCMMWFZEP-MRXNPFEDSA-N 1 2 372.517 2.727 40 0 FFABLO OCCCNc1nc(Nc2ccccc2C(F)(F)F)cc(C2CC2)[nH+]1 ZINC000328982222 203845125 /nfs/dbraw/zinc/84/51/25/203845125.db2.gz GYOCIHOZZKXBDC-UHFFFAOYSA-N 1 2 352.360 2.755 40 0 FFABLO O=C(C[NH+]1CCC(Oc2cnccn2)CC1)Nc1ccc2ncccc2c1 ZINC000019658045 204697453 /nfs/dbraw/zinc/69/74/53/204697453.db2.gz PEJOKUVJKLUECS-UHFFFAOYSA-N 1 2 363.421 2.507 40 0 FFABLO Cn1cc[nH+]c1CN1CCOC[C@H]1c1nc(-c2ccc(F)cc2F)c[nH]1 ZINC000072322022 205030975 /nfs/dbraw/zinc/03/09/75/205030975.db2.gz FXFYKJMREULGSW-INIZCTEOSA-N 1 2 359.380 2.662 40 0 biogenic,in-vitro FFABLO COc1ccc(CCNC(=O)c2ccc(Cn3cc[nH+]c3)cc2)cc1OC ZINC000038849003 205042785 /nfs/dbraw/zinc/04/27/85/205042785.db2.gz WHCITXHDPHLJML-UHFFFAOYSA-N 1 2 365.433 2.921 40 0 FFABLO Cn1cc[nH+]c1[C@H]1CCN(S(=O)(=O)c2cc(Cl)sc2Cl)C1 ZINC000328747705 258119887 /nfs/dbraw/zinc/11/98/87/258119887.db2.gz BAGGIUZGVOVIDE-QMMMGPOBSA-N 1 2 366.295 2.967 40 0 FFABLO CN(C[C@]1(O)CCCN(c2cccc[nH+]2)C1)C(=O)CCc1cccs1 ZINC000257252202 132295493 /nfs/dbraw/zinc/29/54/93/132295493.db2.gz JTWZTPJGWLRPAX-LJQANCHMSA-N 1 2 359.495 2.566 40 0 FFABLO CC(C)[C@@H](CO)Nc1cc(N2CCc3cc([C@@H](C)O)ccc3C2)nc[nH+]1 ZINC000329063898 132373119 /nfs/dbraw/zinc/37/31/19/132373119.db2.gz XGGAOKZVEVMQSL-RDTXWAMCSA-N 1 2 356.470 2.521 40 0 FFABLO CC(C)[C@@H](CO)Nc1cc(N2CCc3cc([C@@H](C)O)ccc3C2)[nH+]cn1 ZINC000329063898 132373120 /nfs/dbraw/zinc/37/31/20/132373120.db2.gz XGGAOKZVEVMQSL-RDTXWAMCSA-N 1 2 356.470 2.521 40 0 FFABLO CN(C)c1nc(N2CCCC2)[nH+]c2c1CN(C(=O)Nc1ccccc1)CC2 ZINC000034678655 506367471 /nfs/dbraw/zinc/36/74/71/506367471.db2.gz ZUJUIHTXFBBBFY-UHFFFAOYSA-N 1 2 366.469 2.733 40 0 FFABLO Cc1cc2nc3c(c(=O)n2[nH]1)CC[N@H+](Cc1ccc2c(c1)C[C@H](C)O2)CC3 ZINC000019130253 507155175 /nfs/dbraw/zinc/15/51/75/507155175.db2.gz YYAUKUOIRFXRMN-AWEZNQCLSA-N 1 2 364.449 2.668 40 0 FFABLO Cc1cc2nc3c(c(=O)n2[nH]1)CC[N@@H+](Cc1ccc2c(c1)C[C@H](C)O2)CC3 ZINC000019130253 507155187 /nfs/dbraw/zinc/15/51/87/507155187.db2.gz YYAUKUOIRFXRMN-AWEZNQCLSA-N 1 2 364.449 2.668 40 0 FFABLO Cc1cnc(-c2nc3c(c(=O)[nH]2)CC[N@H+](Cc2ccc(F)cc2)C3)cn1 ZINC000019239053 507163199 /nfs/dbraw/zinc/16/31/99/507163199.db2.gz IYOLKAPSPZXWGH-UHFFFAOYSA-N 1 2 351.385 2.645 40 0 FFABLO Cc1cnc(-c2nc3c(c(=O)[nH]2)CC[N@@H+](Cc2ccc(F)cc2)C3)cn1 ZINC000019239053 507163201 /nfs/dbraw/zinc/16/32/01/507163201.db2.gz IYOLKAPSPZXWGH-UHFFFAOYSA-N 1 2 351.385 2.645 40 0 FFABLO CC(C)[NH+]1CCN(C(=O)[C@@H]2[C@@H]3CC[C@@]4(CC(=O)c5ccccc5O4)[C@@H]32)CC1 ZINC000019447977 507169240 /nfs/dbraw/zinc/16/92/40/507169240.db2.gz MGMFKBAONQPZCX-QRXQEZHUSA-N 1 2 368.477 2.599 40 0 FFABLO CC(C)c1nc2ccccc2n1C[C@@H](C)C(=O)NC[C@H](C)[NH+]1CCOCC1 ZINC000019453881 507172712 /nfs/dbraw/zinc/17/27/12/507172712.db2.gz FWFGZYGJLNNRAL-SJORKVTESA-N 1 2 372.513 2.633 40 0 FFABLO O=S(=O)(c1ccccc1)N1CCC2(C[NH+](Cc3cccc(F)c3)C2)C1 ZINC000096202422 508210246 /nfs/dbraw/zinc/21/02/46/508210246.db2.gz PKSZIPZJHUSKPW-UHFFFAOYSA-N 1 2 360.454 2.722 40 0 FFABLO CCN1C(=O)C[C@H](c2ccccc2)C12CC[NH+](Cc1nccn1C)CC2 ZINC000096199673 508210397 /nfs/dbraw/zinc/21/03/97/508210397.db2.gz HTCVUGGZIKOUOV-GOSISDBHSA-N 1 2 352.482 2.791 40 0 FFABLO C[C@@H](CNC(=O)C1=NO[C@@]2(CC[N@H+](Cc3ccoc3)C2)C1)c1ccccc1 ZINC000096225706 508211272 /nfs/dbraw/zinc/21/12/72/508211272.db2.gz YBHZOCCRHFCMBX-KKSFZXQISA-N 1 2 367.449 2.920 40 0 FFABLO C[C@@H](CNC(=O)C1=NO[C@@]2(CC[N@@H+](Cc3ccoc3)C2)C1)c1ccccc1 ZINC000096225706 508211274 /nfs/dbraw/zinc/21/12/74/508211274.db2.gz YBHZOCCRHFCMBX-KKSFZXQISA-N 1 2 367.449 2.920 40 0 FFABLO COc1ccc([C@H]2CCN(C(=O)N[C@@H]3CCN(c4cccc[nH+]4)C3)C2)cc1 ZINC000128667476 508626334 /nfs/dbraw/zinc/62/63/34/508626334.db2.gz LWWTYCMTRVRWLT-ZWKOTPCHSA-N 1 2 366.465 2.868 40 0 FFABLO Cc1ccsc1C[N@@H+]1Cc2ncn(C)c2[C@H](C(=O)N2CCCCC2)C1 ZINC000248011751 509217086 /nfs/dbraw/zinc/21/70/86/509217086.db2.gz FDXOPIHQVAUIAK-OAHLLOKOSA-N 1 2 358.511 2.902 40 0 FFABLO Cc1ccsc1C[N@H+]1Cc2ncn(C)c2[C@H](C(=O)N2CCCCC2)C1 ZINC000248011751 509217093 /nfs/dbraw/zinc/21/70/93/509217093.db2.gz FDXOPIHQVAUIAK-OAHLLOKOSA-N 1 2 358.511 2.902 40 0 FFABLO Cc1ncsc1C[NH+]1CC2(C1)C[C@@H](CCOc1ncccn1)CCO2 ZINC000248056464 509227194 /nfs/dbraw/zinc/22/71/94/509227194.db2.gz UQRKKYOLMKZLMA-HNNXBMFYSA-N 1 2 360.483 2.692 40 0 FFABLO CCc1ccc(OCCNC(=O)c2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC000223413921 509337373 /nfs/dbraw/zinc/33/73/73/509337373.db2.gz PSGMILQJYVLMQS-UHFFFAOYSA-N 1 2 368.477 2.890 40 0 FFABLO COc1ccc(C[NH+]2CC3(C2)C[C@@H](Oc2nccc(C)n2)CCO3)cc1 ZINC000253480749 509884366 /nfs/dbraw/zinc/88/43/66/509884366.db2.gz YPLBXTAPBJDWNJ-SFHVURJKSA-N 1 2 355.438 2.606 40 0 FFABLO O=C(c1ccsc1)N1CCC[C@H]1c1ccnc(C[NH+]2CCOCC2)c1 ZINC000257250482 509964411 /nfs/dbraw/zinc/96/44/11/509964411.db2.gz JMRRXRBVZIBYHZ-SFHVURJKSA-N 1 2 357.479 2.953 40 0 FFABLO CCN1C(=O)CC[C@@H](C(=O)NCCc2c[nH+]c[nH]2)[C@@H]1c1ccccc1Cl ZINC000257254475 509966013 /nfs/dbraw/zinc/96/60/13/509966013.db2.gz KDFLXEKUMGOBQK-QAPCUYQASA-N 1 2 374.872 2.722 40 0 FFABLO CCN1C(=O)CC[C@@H](C(=O)NCCc2c[nH]c[nH+]2)[C@@H]1c1ccccc1Cl ZINC000257254475 509966020 /nfs/dbraw/zinc/96/60/20/509966020.db2.gz KDFLXEKUMGOBQK-QAPCUYQASA-N 1 2 374.872 2.722 40 0 FFABLO CNc1cc([C@H]2CCCN(C(=O)CCc3nnc(C(C)C)o3)C2)cc[nH+]1 ZINC000257272089 509969975 /nfs/dbraw/zinc/96/99/75/509969975.db2.gz NBADBXBKIAKPBL-HNNXBMFYSA-N 1 2 357.458 2.969 40 0 FFABLO Cc1ncc(C[N@@H+]2CCO[C@H](c3cccc(-c4cncnc4)n3)C2)s1 ZINC000257272645 509971128 /nfs/dbraw/zinc/97/11/28/509971128.db2.gz NDGPAFLGAYIKKH-SFHVURJKSA-N 1 2 353.451 2.877 40 0 FFABLO Cc1ncc(C[N@H+]2CCO[C@H](c3cccc(-c4cncnc4)n3)C2)s1 ZINC000257272645 509971135 /nfs/dbraw/zinc/97/11/35/509971135.db2.gz NDGPAFLGAYIKKH-SFHVURJKSA-N 1 2 353.451 2.877 40 0 FFABLO CN(C)C(=O)C[N@@H+]1CCC[C@H](c2nccnc2Oc2ccccc2F)C1 ZINC000257313126 509977811 /nfs/dbraw/zinc/97/78/11/509977811.db2.gz URDHIVJOCVYKPE-AWEZNQCLSA-N 1 2 358.417 2.676 40 0 FFABLO CN(C)C(=O)C[N@H+]1CCC[C@H](c2nccnc2Oc2ccccc2F)C1 ZINC000257313126 509977816 /nfs/dbraw/zinc/97/78/16/509977816.db2.gz URDHIVJOCVYKPE-AWEZNQCLSA-N 1 2 358.417 2.676 40 0 FFABLO NC(=O)c1ccc(-c2cccc([C@H]3C[N@H+](Cc4cccnc4)CCO3)n2)cc1 ZINC000257336686 509982314 /nfs/dbraw/zinc/98/23/14/509982314.db2.gz YPOYMVSTSBMUOC-OAQYLSRUSA-N 1 2 374.444 2.816 40 0 FFABLO NC(=O)c1ccc(-c2cccc([C@H]3C[N@@H+](Cc4cccnc4)CCO3)n2)cc1 ZINC000257336686 509982320 /nfs/dbraw/zinc/98/23/20/509982320.db2.gz YPOYMVSTSBMUOC-OAQYLSRUSA-N 1 2 374.444 2.816 40 0 FFABLO Cc1cn2c([nH+]1)[C@H](CNC(=O)NC[C@@H]1Cc3ccccc3CO1)CCC2 ZINC000685939079 568430130 /nfs/dbraw/zinc/43/01/30/568430130.db2.gz WYNGRCXXHPFKMT-WMZOPIPTSA-N 1 2 354.454 2.510 40 0 FFABLO O=C1N(c2cccnc2)CC[C@]12C[N@@H+](Cc1ccncc1)CC(F)(F)C2 ZINC000585093136 571219184 /nfs/dbraw/zinc/21/91/84/571219184.db2.gz DVTLKNIRTSMNLI-SFHVURJKSA-N 1 2 358.392 2.741 40 0 FFABLO O=C1N(c2cccnc2)CC[C@]12C[N@H+](Cc1ccncc1)CC(F)(F)C2 ZINC000585093136 571219185 /nfs/dbraw/zinc/21/91/85/571219185.db2.gz DVTLKNIRTSMNLI-SFHVURJKSA-N 1 2 358.392 2.741 40 0 FFABLO O=c1cc(CC[C@H]2C[N@H+](Cc3ccc4ccccc4n3)CCO2)nc[nH]1 ZINC000257343443 210005249 /nfs/dbraw/zinc/00/52/49/210005249.db2.gz ZTBNNDRSVKVYRF-SFHVURJKSA-N 1 2 350.422 2.564 40 0 FFABLO O=c1cc(CC[C@H]2C[N@@H+](Cc3ccc4ccccc4n3)CCO2)nc[nH]1 ZINC000257343443 210005253 /nfs/dbraw/zinc/00/52/53/210005253.db2.gz ZTBNNDRSVKVYRF-SFHVURJKSA-N 1 2 350.422 2.564 40 0 FFABLO Cc1ccc[nH+]c1Nc1ccc([C@@H]2CN(Cc3ccnn3C)CCO2)nc1 ZINC000257295494 223055290 /nfs/dbraw/zinc/05/52/90/223055290.db2.gz QYNVITWIFLLWOH-IBGZPJMESA-N 1 2 364.453 2.836 40 0 FFABLO O=C(Nc1cccc(F)c1)N1CCCn2nnc(C[NH+]3CCCCC3)c2C1 ZINC000096259595 209146478 /nfs/dbraw/zinc/14/64/78/209146478.db2.gz HTCHBWVCOLHNDP-UHFFFAOYSA-N 1 2 372.448 2.841 40 0 FFABLO O=C(N[C@H]1CCO[C@]2(CC[N@H+](Cc3nccs3)C2)C1)c1ccccc1 ZINC000096209104 209136137 /nfs/dbraw/zinc/13/61/37/209136137.db2.gz MLDRQBDCBBMCHZ-QFBILLFUSA-N 1 2 357.479 2.697 40 0 FFABLO O=C(N[C@H]1CCO[C@]2(CC[N@@H+](Cc3nccs3)C2)C1)c1ccccc1 ZINC000096209104 209136139 /nfs/dbraw/zinc/13/61/39/209136139.db2.gz MLDRQBDCBBMCHZ-QFBILLFUSA-N 1 2 357.479 2.697 40 0 FFABLO Cc1cc(C[N@@H+]2CC[C@]3(C2)C[C@H](NC(=O)c2ccccc2)CCO3)no1 ZINC000096205919 209134416 /nfs/dbraw/zinc/13/44/16/209134416.db2.gz PXFGHPPJXIFFLW-YLJYHZDGSA-N 1 2 355.438 2.537 40 0 FFABLO Cc1cc(C[N@H+]2CC[C@]3(C2)C[C@H](NC(=O)c2ccccc2)CCO3)no1 ZINC000096205919 209134420 /nfs/dbraw/zinc/13/44/20/209134420.db2.gz PXFGHPPJXIFFLW-YLJYHZDGSA-N 1 2 355.438 2.537 40 0 FFABLO O=S(=O)(c1ccccc1)N1C[C@@H]2C[N@@H+](Cc3cccc(Cl)c3)[C@@H]2C1 ZINC000096080477 209110003 /nfs/dbraw/zinc/11/00/03/209110003.db2.gz NJMOORJVHZXUCY-MAUKXSAKSA-N 1 2 362.882 2.845 40 0 FFABLO O=S(=O)(c1ccccc1)N1C[C@@H]2C[N@H+](Cc3cccc(Cl)c3)[C@@H]2C1 ZINC000096080477 209110005 /nfs/dbraw/zinc/11/00/05/209110005.db2.gz NJMOORJVHZXUCY-MAUKXSAKSA-N 1 2 362.882 2.845 40 0 FFABLO COc1ccccc1CCCNC(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000030754122 208004511 /nfs/dbraw/zinc/00/45/11/208004511.db2.gz NXUFSSCYGYGRKM-UHFFFAOYSA-N 1 2 368.477 2.890 40 0 FFABLO CC(C)c1cc(C(=O)N2CC[NH+](CCOc3ccc(F)cc3)CC2)n(C)n1 ZINC000036741170 208171020 /nfs/dbraw/zinc/17/10/20/208171020.db2.gz NTBAMVCHCITJCA-UHFFFAOYSA-N 1 2 374.460 2.519 40 0 FFABLO O=C(c1ccccc1)N1CCOC2(CC[NH+](Cc3nccs3)CC2)C1 ZINC000096049001 209102745 /nfs/dbraw/zinc/10/27/45/209102745.db2.gz NLSSIRMMGHZQEZ-UHFFFAOYSA-N 1 2 357.479 2.650 40 0 FFABLO CCOC[C@H]1CN(C(=O)c2c(C)noc2C)Cc2[nH+]cn(CC3CC3)c21 ZINC000096045139 209099223 /nfs/dbraw/zinc/09/92/23/209099223.db2.gz CNAGSWONPDMUCZ-OAHLLOKOSA-N 1 2 358.442 2.674 40 0 FFABLO CCOC(=O)N1CCN(C(=O)C2CC[NH+](c3ccc(C)cc3)CC2)CC1 ZINC000219850951 132274795 /nfs/dbraw/zinc/27/47/95/132274795.db2.gz CLUBYPXOPIHNII-UHFFFAOYSA-N 1 2 359.470 2.512 40 0 FFABLO CC1CCN(c2nc3c(c(=O)[nH]2)C[N@H+](Cc2ccc(F)c(F)c2)CC3)CC1 ZINC000012183078 506829681 /nfs/dbraw/zinc/82/96/81/506829681.db2.gz BFKPWNIEWLSUQB-UHFFFAOYSA-N 1 2 374.435 2.843 40 0 FFABLO CC1CCN(c2nc3c(c(=O)[nH]2)C[N@@H+](Cc2ccc(F)c(F)c2)CC3)CC1 ZINC000012183078 506829682 /nfs/dbraw/zinc/82/96/82/506829682.db2.gz BFKPWNIEWLSUQB-UHFFFAOYSA-N 1 2 374.435 2.843 40 0 FFABLO O=C(C[NH+]1CCC2(CC1)CC(=O)c1ccccc1O2)NC1CCCCC1 ZINC000013267317 506936206 /nfs/dbraw/zinc/93/62/06/506936206.db2.gz AYSDAIQIVTVZEU-UHFFFAOYSA-N 1 2 356.466 2.935 40 0 FFABLO O=C(c1ccccc1)N1Cc2[nH+]c[nH]c2C[C@H]1c1nc(-c2ccncc2)no1 ZINC000015675895 507054720 /nfs/dbraw/zinc/05/47/20/507054720.db2.gz KSUXSFXUEXFEHD-KRWDZBQOSA-N 1 2 372.388 2.795 40 0 biogenic,in-vitro FFABLO O=C(c1ccccc1)N1Cc2[nH]c[nH+]c2C[C@H]1c1nc(-c2ccncc2)no1 ZINC000015675895 507054724 /nfs/dbraw/zinc/05/47/24/507054724.db2.gz KSUXSFXUEXFEHD-KRWDZBQOSA-N 1 2 372.388 2.795 40 0 biogenic,in-vitro FFABLO COc1c(C)cccc1C[N@@H+]1CCc2c(nc(-c3cnccn3)[nH]c2=O)C1 ZINC000019236004 507159090 /nfs/dbraw/zinc/15/90/90/507159090.db2.gz CJDJLHMLKPQWSA-UHFFFAOYSA-N 1 2 363.421 2.515 40 0 FFABLO COc1c(C)cccc1C[N@H+]1CCc2c(nc(-c3cnccn3)[nH]c2=O)C1 ZINC000019236004 507159095 /nfs/dbraw/zinc/15/90/95/507159095.db2.gz CJDJLHMLKPQWSA-UHFFFAOYSA-N 1 2 363.421 2.515 40 0 FFABLO Cc1csc2c(C3CCN(C(=O)c4ccc(=O)n(C)c4)CC3)[nH+]c(C)n12 ZINC000019240561 507161844 /nfs/dbraw/zinc/16/18/44/507161844.db2.gz CNLNVDWINFPXML-UHFFFAOYSA-N 1 2 370.478 2.731 40 0 FFABLO Cc1[nH+]c([C@H]2CCCN(C(=O)COC[C@H]3CCCO3)C2)c2sccn12 ZINC000019240753 507162436 /nfs/dbraw/zinc/16/24/36/507162436.db2.gz ZCYCRAQDOASJFZ-LSDHHAIUSA-N 1 2 363.483 2.606 40 0 FFABLO CCn1cc(NC(=O)C[NH+]2CCC(Oc3ccc(F)cc3)CC2)c(C)n1 ZINC000019524609 507174294 /nfs/dbraw/zinc/17/42/94/507174294.db2.gz XHIITWRZMKOIGY-UHFFFAOYSA-N 1 2 360.433 2.832 40 0 FFABLO Cc1cc([C@H](O)CN2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)c(C)s1 ZINC000019567856 507180982 /nfs/dbraw/zinc/18/09/82/507180982.db2.gz QWRFOUFXOMPLNW-GOSISDBHSA-N 1 2 374.506 2.945 40 0 FFABLO Cc1ccc(-c2cc(C(=O)NC[C@H](C(C)C)[NH+]3CCOCC3)no2)cc1 ZINC000019715074 507194934 /nfs/dbraw/zinc/19/49/34/507194934.db2.gz SAMNMLLUXUGALD-GOSISDBHSA-N 1 2 357.454 2.737 40 0 FFABLO CN1CC[NH+](CCSC(=O)[C@](O)(c2ccccc2)C2CCCC2)CC1 ZINC000022873462 507317326 /nfs/dbraw/zinc/31/73/26/507317326.db2.gz YXEDATSKQWAGIU-FQEVSTJZSA-N 1 2 362.539 2.572 40 0 FFABLO O=C(Cc1ccccc1Cl)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000026538622 507596576 /nfs/dbraw/zinc/59/65/76/507596576.db2.gz RIMAVYMCEGGFIT-UHFFFAOYSA-N 1 2 372.852 2.956 40 0 FFABLO COc1ccc(C[NH+]2CC3(C2)OCC[C@H]3COCc2cccnc2)cc1 ZINC000247918096 509192002 /nfs/dbraw/zinc/19/20/02/509192002.db2.gz WQFVOTPNJWZJSO-IBGZPJMESA-N 1 2 354.450 2.898 40 0 FFABLO Cc1ncc2c(n1)[C@@]1(CC[N@H+](Cc3cc(F)c(O)c(Cl)c3)C1)COC2 ZINC000247940949 509195100 /nfs/dbraw/zinc/19/51/00/509195100.db2.gz GLPXVHPIQPDZOZ-GOSISDBHSA-N 1 2 363.820 2.957 40 0 FFABLO Cc1ncc2c(n1)[C@@]1(CC[N@@H+](Cc3cc(F)c(O)c(Cl)c3)C1)COC2 ZINC000247940949 509195109 /nfs/dbraw/zinc/19/51/09/509195109.db2.gz GLPXVHPIQPDZOZ-GOSISDBHSA-N 1 2 363.820 2.957 40 0 FFABLO COc1ccccc1C[NH+]1CC2(C1)C[C@@H](OCC1CCOCC1)CCO2 ZINC000248155715 509249139 /nfs/dbraw/zinc/24/91/39/509249139.db2.gz YULLWOFYDQGDHX-IBGZPJMESA-N 1 2 361.482 2.872 40 0 FFABLO CNc1cc([C@H]2CCCN2C(=O)c2cc3nc(C)cc(C)n3n2)cc[nH+]1 ZINC000257251196 509964610 /nfs/dbraw/zinc/96/46/10/509964610.db2.gz JPVBEMPPJLLLAN-MRXNPFEDSA-N 1 2 350.426 2.760 40 0 FFABLO COc1cc([C@H]2Nc3ccccc3-c3c(=O)[nH]c(SC)n[n+]32)ccc1O ZINC000261362916 509985081 /nfs/dbraw/zinc/98/50/81/509985081.db2.gz NNUOLZRTCBNETQ-INIZCTEOSA-O 1 2 369.426 2.545 40 0 FFABLO CSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@@H]2c1ccccc1 ZINC000261364706 509986321 /nfs/dbraw/zinc/98/63/21/509986321.db2.gz NBTJISRRGUYFJR-SFHVURJKSA-O 1 2 365.438 2.772 40 0 FFABLO CCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N[C@H]2c1ccc(O)cc1 ZINC000261364666 509987425 /nfs/dbraw/zinc/98/74/25/509987425.db2.gz MUSRJNBCVZQHRV-MRXNPFEDSA-O 1 2 353.427 2.927 40 0 FFABLO Cc1cc(C(=O)N2C[C@H]3OC[C@H](CNc4cccc[nH+]4)[C@H]3C2)sc1C ZINC000306141226 511762922 /nfs/dbraw/zinc/76/29/22/511762922.db2.gz VOUQLLJCBZPMIV-ARFHVFGLSA-N 1 2 357.479 2.959 40 0 FFABLO O=C(NCC[C@H]1C[N@H+](Cc2ccsc2)Cc2ccnn21)c1ccco1 ZINC000585111740 518544022 /nfs/dbraw/zinc/54/40/22/518544022.db2.gz AEDONBRTFLCLDC-HNNXBMFYSA-N 1 2 356.451 2.915 40 0 FFABLO O=C(NCC[C@H]1C[N@@H+](Cc2ccsc2)Cc2ccnn21)c1ccco1 ZINC000585111740 518544029 /nfs/dbraw/zinc/54/40/29/518544029.db2.gz AEDONBRTFLCLDC-HNNXBMFYSA-N 1 2 356.451 2.915 40 0 FFABLO CC(=O)Nc1cccc(-c2c[nH+]c3n2CCN(C(=O)[C@@H]2C[C@H]2C)CC3)c1 ZINC000585111574 518544579 /nfs/dbraw/zinc/54/45/79/518544579.db2.gz XBGYWXMUQLJLML-CXAGYDPISA-N 1 2 352.438 2.549 40 0 FFABLO CO[C@H]1CN(C(=O)CCCn2cc[nH+]c2)CC[C@@H]1Cc1ccc(F)cc1 ZINC000585279462 518553794 /nfs/dbraw/zinc/55/37/94/518553794.db2.gz MNQABQQBIAGPGA-MJGOQNOKSA-N 1 2 359.445 2.909 40 0 FFABLO COc1cccc(O[C@@H](C)C(=O)NCc2ccccc2-n2cc[nH+]c2)c1 ZINC000020111605 526237431 /nfs/dbraw/zinc/23/74/31/526237431.db2.gz KSNNCHCWZPFLAW-HNNXBMFYSA-N 1 2 351.406 2.965 40 0 FFABLO CC(C)[C@H](CO)Nc1cc(N2CCc3cc([C@H](C)O)ccc3C2)nc[nH+]1 ZINC000329063895 535038234 /nfs/dbraw/zinc/03/82/34/535038234.db2.gz XGGAOKZVEVMQSL-KSSFIOAISA-N 1 2 356.470 2.521 40 0 FFABLO CC(C)[C@H](CO)Nc1cc(N2CCc3cc([C@H](C)O)ccc3C2)[nH+]cn1 ZINC000329063895 535038239 /nfs/dbraw/zinc/03/82/39/535038239.db2.gz XGGAOKZVEVMQSL-KSSFIOAISA-N 1 2 356.470 2.521 40 0 FFABLO CCc1nnc(Nc2cc(C)nc([C@H]3CC[N@H+](Cc4ncc[nH]4)C3)n2)s1 ZINC000072382603 571188481 /nfs/dbraw/zinc/18/84/81/571188481.db2.gz JCXBILUTRDNTGC-LBPRGKRZSA-N 1 2 370.486 2.655 40 0 FFABLO CCc1nnc(Nc2cc(C)nc([C@H]3CC[N@@H+](Cc4ncc[nH]4)C3)n2)s1 ZINC000072382603 571188482 /nfs/dbraw/zinc/18/84/82/571188482.db2.gz JCXBILUTRDNTGC-LBPRGKRZSA-N 1 2 370.486 2.655 40 0 FFABLO Cn1ccnc1C[N@@H+]1CCC[C@H](c2cncc(Oc3cccnc3)n2)C1 ZINC000072384196 571189037 /nfs/dbraw/zinc/18/90/37/571189037.db2.gz CFGOENILNGVTKZ-HNNXBMFYSA-N 1 2 350.426 2.777 40 0 FFABLO Cn1ccnc1C[N@H+]1CCC[C@H](c2cncc(Oc3cccnc3)n2)C1 ZINC000072384196 571189039 /nfs/dbraw/zinc/18/90/39/571189039.db2.gz CFGOENILNGVTKZ-HNNXBMFYSA-N 1 2 350.426 2.777 40 0 FFABLO NC(=O)c1ccc(-c2cccc([C@@H]3C[N@H+](Cc4cccnc4)CCO3)n2)cc1 ZINC000257336685 210003657 /nfs/dbraw/zinc/00/36/57/210003657.db2.gz YPOYMVSTSBMUOC-NRFANRHFSA-N 1 2 374.444 2.816 40 0 FFABLO NC(=O)c1ccc(-c2cccc([C@@H]3C[N@@H+](Cc4cccnc4)CCO3)n2)cc1 ZINC000257336685 210003662 /nfs/dbraw/zinc/00/36/62/210003662.db2.gz YPOYMVSTSBMUOC-NRFANRHFSA-N 1 2 374.444 2.816 40 0 FFABLO Cc1[nH+]c(C2(C)CCN(C(=O)c3cncnc3C)CC2)c2sccn12 ZINC000257336361 210002239 /nfs/dbraw/zinc/00/22/39/210002239.db2.gz YOBOOHQSCIZXGS-UHFFFAOYSA-N 1 2 355.467 2.997 40 0 FFABLO COc1ccccc1[C@@H](NC(=O)[C@H]1CC[C@H](OC)CC1)c1[nH+]ccn1C ZINC000100162555 209210836 /nfs/dbraw/zinc/21/08/36/209210836.db2.gz BIUIHUMOJGOABQ-RVKKMQEKSA-N 1 2 357.454 2.840 40 0 FFABLO CN(C)c1nc(-c2cnn(C)c2)nc2c1C[N@H+](Cc1ccc(F)cc1)CC2 ZINC000096254067 209145147 /nfs/dbraw/zinc/14/51/47/209145147.db2.gz HVBAJHQETAPKJD-UHFFFAOYSA-N 1 2 366.444 2.641 40 0 FFABLO CN(C)c1nc(-c2cnn(C)c2)nc2c1C[N@@H+](Cc1ccc(F)cc1)CC2 ZINC000096254067 209145151 /nfs/dbraw/zinc/14/51/51/209145151.db2.gz HVBAJHQETAPKJD-UHFFFAOYSA-N 1 2 366.444 2.641 40 0 FFABLO Cc1cccc(C(=O)N2CCCn3c(C[NH+]4CCCCC4)nnc3C2)c1 ZINC000096259679 209146056 /nfs/dbraw/zinc/14/60/56/209146056.db2.gz FBVCCAIVAITWKG-UHFFFAOYSA-N 1 2 353.470 2.619 40 0 FFABLO CC(=O)N[C@@H]1CCCC[C@@]12C[N@H+](Cc1cc(F)c(O)c(Cl)c1)CCO2 ZINC000306141543 206671143 /nfs/dbraw/zinc/67/11/43/206671143.db2.gz VZMVIBHWIZTVGA-SJLPKXTDSA-N 1 2 370.852 2.834 40 0 FFABLO CC(=O)N[C@@H]1CCCC[C@@]12C[N@@H+](Cc1cc(F)c(O)c(Cl)c1)CCO2 ZINC000306141543 206671148 /nfs/dbraw/zinc/67/11/48/206671148.db2.gz VZMVIBHWIZTVGA-SJLPKXTDSA-N 1 2 370.852 2.834 40 0 FFABLO O=C(Cn1c(-c2cccs2)cc2cccnc21)NCCn1cc[nH+]c1 ZINC000012147114 207344369 /nfs/dbraw/zinc/34/43/69/207344369.db2.gz AKLTXGYRUUWIAN-UHFFFAOYSA-N 1 2 351.435 2.778 40 0 FFABLO COc1ccc(F)c(C[N@H+](CCCN2CCOCC2)Cc2cccnc2)c1 ZINC000012118027 207339873 /nfs/dbraw/zinc/33/98/73/207339873.db2.gz CLJCAEAVBIAOMB-UHFFFAOYSA-N 1 2 373.472 2.954 40 0 FFABLO COc1ccc(F)c(C[N@@H+](CCCN2CCOCC2)Cc2cccnc2)c1 ZINC000012118027 207339877 /nfs/dbraw/zinc/33/98/77/207339877.db2.gz CLJCAEAVBIAOMB-UHFFFAOYSA-N 1 2 373.472 2.954 40 0 FFABLO Cc1nc(C)c(C(=O)N2Cc3ccccc3OC[C@H]2Cn2cc[nH+]c2)o1 ZINC000012128347 207340852 /nfs/dbraw/zinc/34/08/52/207340852.db2.gz PVZCBSNCIDONRX-MRXNPFEDSA-N 1 2 352.394 2.592 40 0 FFABLO O=C(CC12C[C@H]3C[C@H](CC(O)(C3)C1)C2)N1CCCN(c2cccc[nH+]2)CC1 ZINC000019402086 207668011 /nfs/dbraw/zinc/66/80/11/207668011.db2.gz DBNVHSPGVZBRNR-OTXOEQGISA-N 1 2 369.509 2.842 40 0 FFABLO COc1ccc(O[C@H](C)C(=O)NCc2ccccc2-n2cc[nH+]c2)cc1 ZINC000038755597 208206786 /nfs/dbraw/zinc/20/67/86/208206786.db2.gz SJJROIPBKCBZJY-OAHLLOKOSA-N 1 2 351.406 2.965 40 0 FFABLO Cc1cc(C)n(-c2ccc(C[N@H+]3CCC[C@H]3c3nc(N)n(C)n3)cc2)n1 ZINC000283959561 256907436 /nfs/dbraw/zinc/90/74/36/256907436.db2.gz HXGTWRTUMJCWRV-KRWDZBQOSA-N 1 2 351.458 2.537 40 0 FFABLO Cc1cc(C)n(-c2ccc(C[N@@H+]3CCC[C@H]3c3nc(N)n(C)n3)cc2)n1 ZINC000283959561 256907437 /nfs/dbraw/zinc/90/74/37/256907437.db2.gz HXGTWRTUMJCWRV-KRWDZBQOSA-N 1 2 351.458 2.537 40 0 FFABLO CC[NH+]1CCN(c2c(Br)cc(N)cc2Br)CC1 ZINC000226316815 132250472 /nfs/dbraw/zinc/25/04/72/132250472.db2.gz IVMQYTJUUUPTNG-UHFFFAOYSA-N 1 2 363.097 2.936 40 0 FFABLO Cc1noc2nc(C)cc(C(=O)N[C@H]3CCCN(c4cccc[nH+]4)C3)c12 ZINC000130582167 132251134 /nfs/dbraw/zinc/25/11/34/132251134.db2.gz PXDKRBCZBQKDJX-AWEZNQCLSA-N 1 2 351.410 2.633 40 0 FFABLO CN(C(=O)c1ccc2c(c1)OCCO2)[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000257312497 132297015 /nfs/dbraw/zinc/29/70/15/132297015.db2.gz UOFMOKTZUGABPB-INIZCTEOSA-N 1 2 353.422 2.594 40 0 FFABLO CC[C@]12CCC[N@@H+]3CCc4c5ccccc5n(c4[C@@H]31)[C@](O)(C(=O)OC)C2 ZINC000003202006 506313626 /nfs/dbraw/zinc/31/36/26/506313626.db2.gz RXPRRQLKFXBCSJ-HMXCVIKNSA-N 1 2 354.450 2.953 40 0 FFABLO CC[C@]12CCC[N@H+]3CCc4c5ccccc5n(c4[C@@H]31)[C@](O)(C(=O)OC)C2 ZINC000003202006 506313632 /nfs/dbraw/zinc/31/36/32/506313632.db2.gz RXPRRQLKFXBCSJ-HMXCVIKNSA-N 1 2 354.450 2.953 40 0 FFABLO COC(=O)C1=C(C(=O)OC)[C@@H]2CCC[C@H]1[C@H]1N=[NH+]N(c3ccccc3)[C@H]12 ZINC000006379156 506478865 /nfs/dbraw/zinc/47/88/65/506478865.db2.gz VJUBMAIKLRQXPC-GFOFROLCSA-N 1 2 355.394 2.684 40 0 FFABLO CC(C)c1nc2ccccc2n1C[C@@H](C)C(=O)NC[C@@H](C)[NH+]1CCOCC1 ZINC000019453877 507171334 /nfs/dbraw/zinc/17/13/34/507171334.db2.gz FWFGZYGJLNNRAL-IAGOWNOFSA-N 1 2 372.513 2.633 40 0 FFABLO CC(C)n1nccc1C(=O)N1C[C@@H](C[NH+]2CCOCC2)c2ccccc21 ZINC000019454549 507171568 /nfs/dbraw/zinc/17/15/68/507171568.db2.gz PIGWXLZQXOVRKM-MRXNPFEDSA-N 1 2 354.454 2.540 40 0 FFABLO COc1cccc(C(=O)N2CCc3nc([C@@H]4CCCC[N@@H+]4C)ncc3C2)c1 ZINC000019588964 507182662 /nfs/dbraw/zinc/18/26/62/507182662.db2.gz KLYZCNNMYOBROE-IBGZPJMESA-N 1 2 366.465 2.841 40 0 FFABLO COc1cccc(C(=O)N2CCc3nc([C@@H]4CCCC[N@H+]4C)ncc3C2)c1 ZINC000019588964 507182669 /nfs/dbraw/zinc/18/26/69/507182669.db2.gz KLYZCNNMYOBROE-IBGZPJMESA-N 1 2 366.465 2.841 40 0 FFABLO C[N@@H+]1CCCC[C@@H]1c1ncc2c(n1)CCN(C(=O)Cc1ccc(F)cc1)C2 ZINC000019588916 507183500 /nfs/dbraw/zinc/18/35/00/507183500.db2.gz QYKBFANCVXLUBP-LJQANCHMSA-N 1 2 368.456 2.900 40 0 FFABLO C[N@H+]1CCCC[C@@H]1c1ncc2c(n1)CCN(C(=O)Cc1ccc(F)cc1)C2 ZINC000019588916 507183505 /nfs/dbraw/zinc/18/35/05/507183505.db2.gz QYKBFANCVXLUBP-LJQANCHMSA-N 1 2 368.456 2.900 40 0 FFABLO CCOc1cccc(CNC(=O)c2cccc(C[NH+]3CCOCC3)c2)c1 ZINC000022509749 507296358 /nfs/dbraw/zinc/29/63/58/507296358.db2.gz BGFHHPZJFGAYMI-UHFFFAOYSA-N 1 2 354.450 2.848 40 0 FFABLO COC(=O)c1ccccc1NC(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000022509868 507296450 /nfs/dbraw/zinc/29/64/50/507296450.db2.gz KCNJKKXNHWSDMW-UHFFFAOYSA-N 1 2 354.406 2.558 40 0 FFABLO COc1ccc(CCC(=O)NCc2ccccc2C[NH+]2CCOCC2)cc1 ZINC000023955499 507381039 /nfs/dbraw/zinc/38/10/39/507381039.db2.gz BFVJIXIQOGWXHA-UHFFFAOYSA-N 1 2 368.477 2.776 40 0 FFABLO O=C(Cc1ccc(F)cc1)N1CCC[C@H]1c1cncc(-n2cc[nH+]c2)n1 ZINC000072378475 507781395 /nfs/dbraw/zinc/78/13/95/507781395.db2.gz GDXVMJJRRDABJO-KRWDZBQOSA-N 1 2 351.385 2.708 40 0 FFABLO CCOc1cc(-c2nnc([C@H]([NH3+])c3cccc(OC)c3)[nH]2)ccc1OC ZINC000095533630 508197985 /nfs/dbraw/zinc/19/79/85/508197985.db2.gz DZSXIJOMJZUARD-QGZVFWFLSA-N 1 2 354.410 2.936 40 0 FFABLO COc1ccccc1C[NH+]1CC2(C1)CC[C@H](CNC(=O)c1ccco1)CO2 ZINC000248120160 509236921 /nfs/dbraw/zinc/23/69/21/509236921.db2.gz DHUYECMTSXURSX-MRXNPFEDSA-N 1 2 370.449 2.699 40 0 FFABLO COC(=O)c1ccccc1NC(=S)N1CC[NH+](Cc2ccco2)CC1 ZINC000225215410 509367059 /nfs/dbraw/zinc/36/70/59/509367059.db2.gz CEUINUICCYIGAV-UHFFFAOYSA-N 1 2 359.451 2.581 40 0 FFABLO S=C(NCCCn1cc[nH+]c1)Nc1ccc(Oc2ccccc2)nn1 ZINC000225188855 509367764 /nfs/dbraw/zinc/36/77/64/509367764.db2.gz GDMSOSRKGFQDPP-UHFFFAOYSA-N 1 2 354.439 2.842 40 0 FFABLO O=C(Nc1nccs1)c1cccc([C@H]2CCCN2Cc2[nH]cc[nH+]2)n1 ZINC000257219902 509960125 /nfs/dbraw/zinc/96/01/25/509960125.db2.gz DISPTICVNYOYGL-CQSZACIVSA-N 1 2 354.439 2.851 40 0 FFABLO CNC(=O)C[N@@H+]1CCC[C@@H](c2nccnc2Oc2ccccc2Cl)C1 ZINC000257233477 509961963 /nfs/dbraw/zinc/96/19/63/509961963.db2.gz GPLWFZSGKIVXOU-CYBMUJFWSA-N 1 2 360.845 2.848 40 0 FFABLO CNC(=O)C[N@H+]1CCC[C@@H](c2nccnc2Oc2ccccc2Cl)C1 ZINC000257233477 509961968 /nfs/dbraw/zinc/96/19/68/509961968.db2.gz GPLWFZSGKIVXOU-CYBMUJFWSA-N 1 2 360.845 2.848 40 0 FFABLO O=C(Nc1ccccn1)c1cccc([C@@H]2CCC[N@H+](Cc3ncc[nH]3)C2)n1 ZINC000257307008 509976919 /nfs/dbraw/zinc/97/69/19/509976919.db2.gz SWWARPNBAYUSQA-OAHLLOKOSA-N 1 2 362.437 2.832 40 0 FFABLO O=C(Nc1ccccn1)c1cccc([C@@H]2CCC[N@@H+](Cc3ncc[nH]3)C2)n1 ZINC000257307008 509976925 /nfs/dbraw/zinc/97/69/25/509976925.db2.gz SWWARPNBAYUSQA-OAHLLOKOSA-N 1 2 362.437 2.832 40 0 FFABLO CNc1[nH+]c([C@H]2CCN(C(=O)c3ccc4[nH]cnc4c3)C2)c2sccn12 ZINC000257326881 509979127 /nfs/dbraw/zinc/97/91/27/509979127.db2.gz WYZCQPBOKCIPBC-LBPRGKRZSA-N 1 2 366.450 2.944 40 0 FFABLO O=C(CC1CC1)NC[C@@H]1C[N@H+](Cc2cccc3[nH]ccc32)Cc2cncn21 ZINC000247844093 510871455 /nfs/dbraw/zinc/87/14/55/510871455.db2.gz GKEZJWALCFQSBU-GOSISDBHSA-N 1 2 363.465 2.838 40 0 FFABLO O=C(CC1CC1)NC[C@@H]1C[N@@H+](Cc2cccc3[nH]ccc32)Cc2cncn21 ZINC000247844093 510871456 /nfs/dbraw/zinc/87/14/56/510871456.db2.gz GKEZJWALCFQSBU-GOSISDBHSA-N 1 2 363.465 2.838 40 0 FFABLO O=C(CC1CC1)NC[C@@H]1CN(Cc2cccc3[nH]ccc32)Cc2c[nH+]cn21 ZINC000247844093 510871457 /nfs/dbraw/zinc/87/14/57/510871457.db2.gz GKEZJWALCFQSBU-GOSISDBHSA-N 1 2 363.465 2.838 40 0 FFABLO CC(C)n1cc(C[N@H+]2Cc3ccnn3C[C@@H](OCc3ccncc3)C2)cn1 ZINC000306130049 511760022 /nfs/dbraw/zinc/76/00/22/511760022.db2.gz IVAULIHRVRQSNV-FQEVSTJZSA-N 1 2 366.469 2.657 40 0 FFABLO CC(C)n1cc(C[N@@H+]2Cc3ccnn3C[C@@H](OCc3ccncc3)C2)cn1 ZINC000306130049 511760031 /nfs/dbraw/zinc/76/00/31/511760031.db2.gz IVAULIHRVRQSNV-FQEVSTJZSA-N 1 2 366.469 2.657 40 0 FFABLO Cc1ccc(-c2c[nH+]c3n2C[C@@]2(CCN(C(=O)c4ccn(C)n4)C2)C3)cc1 ZINC000306132919 511760598 /nfs/dbraw/zinc/76/05/98/511760598.db2.gz LWIHVIGOPHAJQA-NRFANRHFSA-N 1 2 361.449 2.681 40 0 FFABLO O=C(NCC[C@H]1CCOC12C[NH+](Cc1ccccc1F)C2)N1CCCC1 ZINC000306139375 511762639 /nfs/dbraw/zinc/76/26/39/511762639.db2.gz SVONHBMCIFGROQ-KRWDZBQOSA-N 1 2 361.461 2.612 40 0 FFABLO Cc1cc(Br)ccc1Nc1cc(C2CC2)[nH+]c(NCCO)n1 ZINC000328955230 511956290 /nfs/dbraw/zinc/95/62/90/511956290.db2.gz AATVZSPNDJMFOI-UHFFFAOYSA-N 1 2 363.259 3.573 40 0 FFABLO Cc1nc2cc(Nc3cc(C4CC4)[nH+]c(NCCCO)n3)ccc2s1 ZINC000329006798 511965178 /nfs/dbraw/zinc/96/51/78/511965178.db2.gz LFONOEBWPGJKNA-UHFFFAOYSA-N 1 2 355.467 2.654 40 0 FFABLO OCCCNc1nc(NCc2ccccc2F)cc(-c2ccccc2)[nH+]1 ZINC000329030224 511970906 /nfs/dbraw/zinc/97/09/06/511970906.db2.gz QCHOCQGBHXYAKE-UHFFFAOYSA-N 1 2 352.413 2.533 40 0 FFABLO c1cncc(-c2cc(NC[C@@H]3CCCO3)nc(NC3CCCCC3)[nH+]2)c1 ZINC000329039097 511971990 /nfs/dbraw/zinc/97/19/90/511971990.db2.gz RVBKMBJVRIJZRQ-KRWDZBQOSA-N 1 2 353.470 2.718 40 0 FFABLO OCCCNc1nc(Nc2ccccc2OC(F)(F)F)cc(C2CC2)[nH+]1 ZINC000329047902 511973456 /nfs/dbraw/zinc/97/34/56/511973456.db2.gz UIHAAEOIDSEITG-UHFFFAOYSA-N 1 2 368.359 2.634 40 0 FFABLO Cc1ccc(-c2cc(C)nc(SCC(=O)N3CC[NH+](C)CC3)n2)cc1 ZINC000408558284 513086842 /nfs/dbraw/zinc/08/68/42/513086842.db2.gz SSQFHUYMVSCSJY-UHFFFAOYSA-N 1 2 356.495 2.627 40 0 FFABLO Cc1ncoc1C(=O)N1CCn2c(CCOCC3CCC3)c[nH+]c2[C@@H]1C ZINC000585097522 518535580 /nfs/dbraw/zinc/53/55/80/518535580.db2.gz KZRYMKCVCOZPJS-AWEZNQCLSA-N 1 2 358.442 2.756 40 0 FFABLO Cc1ccc(C[NH+]2CC3(C2)OCC[C@@H]3CCNC(=O)C2CC(F)(F)C2)o1 ZINC000585102878 518539340 /nfs/dbraw/zinc/53/93/40/518539340.db2.gz LQTLWEHXIWVLCN-HNNXBMFYSA-N 1 2 368.424 2.731 40 0 FFABLO COc1cc(C(=O)NCc2ccccc2-n2cc[nH+]c2)cc(OC)c1OC ZINC000020110784 522125765 /nfs/dbraw/zinc/12/57/65/522125765.db2.gz WOMLXTWIGBCTMN-UHFFFAOYSA-N 1 2 367.405 2.828 40 0 FFABLO COc1ccc(CCCNC(=O)c2cccc(C[NH+]3CCOCC3)c2)cc1 ZINC000020050304 523938161 /nfs/dbraw/zinc/93/81/61/523938161.db2.gz NFPKOMANDXSAPC-UHFFFAOYSA-N 1 2 368.477 2.890 40 0 FFABLO CCC[C@H](c1nnnn1C[C@@H]1CCCO1)[NH+]1CCN(c2ccccc2)CC1 ZINC000057670299 535722360 /nfs/dbraw/zinc/72/23/60/535722360.db2.gz YTMVMNAFXNQTGJ-RBUKOAKNSA-N 1 2 370.501 2.516 40 0 FFABLO CCOC[C@@H]1Cc2c([nH+]cn2C)CN1C(=O)c1cnc2ccccc2c1 ZINC000585094777 571219679 /nfs/dbraw/zinc/21/96/79/571219679.db2.gz MHYCHPAHGMFGBT-INIZCTEOSA-N 1 2 350.422 2.572 40 0 FFABLO COc1ccccc1[C@H]1Cn2c(C)c[nH+]c2CN1C(=O)c1ncoc1C ZINC000257233821 209973027 /nfs/dbraw/zinc/97/30/27/209973027.db2.gz GQWIYXZQTDGHDV-OAHLLOKOSA-N 1 2 352.394 2.894 40 0 FFABLO CCOC(=O)C1CC[NH+]([C@H]2CC(=O)N(c3ccc(C(C)C)cc3)C2=O)CC1 ZINC000104278526 209260072 /nfs/dbraw/zinc/26/00/72/209260072.db2.gz BXDOQNJLGJIIQQ-SFHVURJKSA-N 1 2 372.465 2.717 40 0 FFABLO COc1ccccc1[C@H](NC(=O)[C@H]1CC[C@H](OC)CC1)c1[nH+]ccn1C ZINC000100162552 209210168 /nfs/dbraw/zinc/21/01/68/209210168.db2.gz BIUIHUMOJGOABQ-DAYGRLMNSA-N 1 2 357.454 2.840 40 0 FFABLO COc1ccc([C@H](NC(=O)[C@H]2CC[C@H](OC)CC2)c2[nH+]ccn2C)cc1 ZINC000100162576 209209949 /nfs/dbraw/zinc/20/99/49/209209949.db2.gz MGMACNUFPZMVRQ-JQHSSLGASA-N 1 2 357.454 2.840 40 0 FFABLO Cn1c[nH+]c2c1[C@@H](COCc1cccnc1)N(Cc1nccs1)CC2 ZINC000096187725 209131787 /nfs/dbraw/zinc/13/17/87/209131787.db2.gz BHVXULOTKAOEQK-MRXNPFEDSA-N 1 2 355.467 2.588 40 0 FFABLO Cc1nc(CN2C(=O)CC[C@@H]3[C@@H]2CC[N@@H+]3Cc2csc(C)n2)cs1 ZINC000096056580 209103728 /nfs/dbraw/zinc/10/37/28/209103728.db2.gz BZAGDIYSPVAZGM-CVEARBPZSA-N 1 2 362.524 2.982 40 0 FFABLO Cc1nc(CN2C(=O)CC[C@@H]3[C@@H]2CC[N@H+]3Cc2csc(C)n2)cs1 ZINC000096056580 209103735 /nfs/dbraw/zinc/10/37/35/209103735.db2.gz BZAGDIYSPVAZGM-CVEARBPZSA-N 1 2 362.524 2.982 40 0 FFABLO CC(C)COC[C@@H]1CN(Cc2ccc3c(c2)OCO3)Cc2[nH+]cn(C)c21 ZINC000096044844 209100101 /nfs/dbraw/zinc/10/01/01/209100101.db2.gz RXQFFTHFVHUTLB-INIZCTEOSA-N 1 2 357.454 2.921 40 0 FFABLO CC(C)COC[C@@H]1C[N@H+](Cc2ccc3c(c2)OCO3)Cc2ncn(C)c21 ZINC000096044844 209100103 /nfs/dbraw/zinc/10/01/03/209100103.db2.gz RXQFFTHFVHUTLB-INIZCTEOSA-N 1 2 357.454 2.921 40 0 FFABLO CC(C)COC[C@@H]1C[N@@H+](Cc2ccc3c(c2)OCO3)Cc2ncn(C)c21 ZINC000096044844 209100107 /nfs/dbraw/zinc/10/01/07/209100107.db2.gz RXQFFTHFVHUTLB-INIZCTEOSA-N 1 2 357.454 2.921 40 0 FFABLO O=C(N1CCCC1)N1Cc2[nH+]cn(CC3CC3)c2[C@@H](COCC2CC2)C1 ZINC000096045163 209099481 /nfs/dbraw/zinc/09/94/81/209099481.db2.gz ZKOOVOHMPUVSCX-QGZVFWFLSA-N 1 2 358.486 2.835 40 0 FFABLO Cc1nc2ccc(C(=O)N3CC[NH+](Cc4cccc(O)c4)CC3)cc2o1 ZINC000280389284 256511443 /nfs/dbraw/zinc/51/14/43/256511443.db2.gz NGPHZMAPFILPHB-UHFFFAOYSA-N 1 2 351.406 2.800 40 0 FFABLO C=CC(=O)N1CCCc2ccccc2[C@@H]1c1cc[nH+]c(N2CCOCC2)c1 ZINC000096087165 132218835 /nfs/dbraw/zinc/21/88/35/132218835.db2.gz VSRSAIGONCHOES-QFIPXVFZSA-N 1 2 363.461 2.968 40 0 FFABLO C[C@@H](Oc1ccccc1)C(=O)Nc1c[nH+]c(N2CCCCC2)nc1N(C)C ZINC000224356755 132283379 /nfs/dbraw/zinc/28/33/79/132283379.db2.gz IVMCLUHLKFCOQS-OAHLLOKOSA-N 1 2 369.469 2.939 40 0 FFABLO OC[C@H]1CCCN(c2ncc3c(n2)C[C@@H]2CC[C@H]3[N@H+]2Cc2ccoc2)C1 ZINC000072327873 136144227 /nfs/dbraw/zinc/14/42/27/136144227.db2.gz UVCVUCYEEOLSFI-URLQWDBASA-N 1 2 354.454 2.540 40 0 FFABLO OC[C@H]1CCCN(c2ncc3c(n2)C[C@@H]2CC[C@H]3[N@@H+]2Cc2ccoc2)C1 ZINC000072327873 136144228 /nfs/dbraw/zinc/14/42/28/136144228.db2.gz UVCVUCYEEOLSFI-URLQWDBASA-N 1 2 354.454 2.540 40 0 FFABLO Cn1cc[nH+]c1[C@@H](NC(=O)Cc1ccc(O)cc1)c1ccc(F)c(F)c1 ZINC000012115027 506817808 /nfs/dbraw/zinc/81/78/08/506817808.db2.gz FDUYXLQTIRRUAQ-SFHVURJKSA-N 1 2 357.360 2.852 40 0 FFABLO C[N@@H+]1C[C@@H](NC(=O)NC2CCCCC2)C[C@H]1c1nc(-c2cccnc2)no1 ZINC000012529877 506872345 /nfs/dbraw/zinc/87/23/45/506872345.db2.gz LVCDGLCTUUELPV-HOTGVXAUSA-N 1 2 370.457 2.509 40 0 biogenic,in-vitro FFABLO C[N@H+]1C[C@@H](NC(=O)NC2CCCCC2)C[C@H]1c1nc(-c2cccnc2)no1 ZINC000012529877 506872353 /nfs/dbraw/zinc/87/23/53/506872353.db2.gz LVCDGLCTUUELPV-HOTGVXAUSA-N 1 2 370.457 2.509 40 0 biogenic,in-vitro FFABLO CCOc1ccccc1N1CC[NH+](CC(=O)N2[C@H](C)CCC[C@@H]2C)CC1 ZINC000013562869 506945376 /nfs/dbraw/zinc/94/53/76/506945376.db2.gz LMPXSDBTNYKHJW-HDICACEKSA-N 1 2 359.514 2.997 40 0 FFABLO CCOc1ccc(NC(=S)N2CC[NH+](Cc3ccccn3)CC2)cc1 ZINC000016704505 507103635 /nfs/dbraw/zinc/10/36/35/507103635.db2.gz ZZBDMISPSVIACB-UHFFFAOYSA-N 1 2 356.495 2.995 40 0 FFABLO CCCn1ncc(C(=O)N[C@H](c2[nH+]ccn2C)c2ccc(F)cc2)c1C ZINC000019525895 507177259 /nfs/dbraw/zinc/17/72/59/507177259.db2.gz UQYYXHOYJYAEBO-KRWDZBQOSA-N 1 2 355.417 2.994 40 0 FFABLO COc1ccc(C[N@@H+]2CCC[C@H](c3ncccc3S(C)(=O)=O)C2)cc1 ZINC000019555137 507178987 /nfs/dbraw/zinc/17/89/87/507178987.db2.gz ZQIWTVLRUOVLQC-INIZCTEOSA-N 1 2 360.479 2.873 40 0 FFABLO COc1ccc(C[N@H+]2CCC[C@H](c3ncccc3S(C)(=O)=O)C2)cc1 ZINC000019555137 507178992 /nfs/dbraw/zinc/17/89/92/507178992.db2.gz ZQIWTVLRUOVLQC-INIZCTEOSA-N 1 2 360.479 2.873 40 0 FFABLO COc1cccc(C[N@@H+](Cc2cn(C)nc2C)C[C@@H]2CCCO2)c1OC ZINC000019583701 507183317 /nfs/dbraw/zinc/18/33/17/507183317.db2.gz IONCEROULBTICD-SFHVURJKSA-N 1 2 359.470 2.927 40 0 FFABLO COc1cccc(C[N@H+](Cc2cn(C)nc2C)C[C@@H]2CCCO2)c1OC ZINC000019583701 507183325 /nfs/dbraw/zinc/18/33/25/507183325.db2.gz IONCEROULBTICD-SFHVURJKSA-N 1 2 359.470 2.927 40 0 FFABLO CC(=O)N1CCc2nnc([C@@H]3CCC[N@@H+]3Cc3ccccc3Cl)n2CC1 ZINC000019710732 507193054 /nfs/dbraw/zinc/19/30/54/507193054.db2.gz XMHYJECOLSDPRD-KRWDZBQOSA-N 1 2 373.888 2.673 40 0 FFABLO CC(=O)N1CCc2nnc([C@@H]3CCC[N@H+]3Cc3ccccc3Cl)n2CC1 ZINC000019710732 507193061 /nfs/dbraw/zinc/19/30/61/507193061.db2.gz XMHYJECOLSDPRD-KRWDZBQOSA-N 1 2 373.888 2.673 40 0 FFABLO Cc1cc(NC(=O)C[N@H+]2CCC[C@@H](c3nc4ccccc4n3C)C2)no1 ZINC000019715912 507195552 /nfs/dbraw/zinc/19/55/52/507195552.db2.gz XPDDAHGHELWDTA-CQSZACIVSA-N 1 2 353.426 2.688 40 0 FFABLO Cc1cc(NC(=O)C[N@@H+]2CCC[C@@H](c3nc4ccccc4n3C)C2)no1 ZINC000019715912 507195560 /nfs/dbraw/zinc/19/55/60/507195560.db2.gz XPDDAHGHELWDTA-CQSZACIVSA-N 1 2 353.426 2.688 40 0 FFABLO O=C(c1ccc(F)cc1)N1CCC[C@H](c2nccnc2-n2cc[nH+]c2)C1 ZINC000072350529 507779343 /nfs/dbraw/zinc/77/93/43/507779343.db2.gz BBRBJUFPPIVEEJ-HNNXBMFYSA-N 1 2 351.385 2.821 40 0 FFABLO O=C(c1ccsc1)N1Cc2ccnn2C[C@H](CNc2cccc[nH+]2)C1 ZINC000247893770 509187413 /nfs/dbraw/zinc/18/74/13/509187413.db2.gz ZJEDAVTWDIQUHM-CQSZACIVSA-N 1 2 353.451 2.724 40 0 FFABLO COc1ccc(C[NH+]2CC3(C2)OCC[C@H]3COCc2ccncc2)cc1 ZINC000247921650 509191129 /nfs/dbraw/zinc/19/11/29/509191129.db2.gz XZICOCUPSFXXFM-IBGZPJMESA-N 1 2 354.450 2.898 40 0 FFABLO CN(C)c1cc([C@@H]2CCCN2C(=O)Cc2ccc3c(c2)OCO3)cc[nH+]1 ZINC000257249448 509963444 /nfs/dbraw/zinc/96/34/44/509963444.db2.gz JIKNWWYSRKVTEG-INIZCTEOSA-N 1 2 353.422 2.783 40 0 FFABLO O=C(Cn1cc[nH+]c1)N1CCC[C@@H]1c1ncc(Cc2ccccc2F)o1 ZINC000257250572 509963918 /nfs/dbraw/zinc/96/39/18/509963918.db2.gz JNBPGOGFUCIVPZ-QGZVFWFLSA-N 1 2 354.385 2.965 40 0 FFABLO c1ccc(C[N@@H+]2CCO[C@@H](c3nnn4cc(-c5ccncc5)ccc34)C2)nc1 ZINC000306138500 511762677 /nfs/dbraw/zinc/76/26/77/511762677.db2.gz RYZPZSVZRCZLNI-HXUWFJFHSA-N 1 2 372.432 2.760 40 0 FFABLO c1ccc(C[N@H+]2CCO[C@@H](c3nnn4cc(-c5ccncc5)ccc34)C2)nc1 ZINC000306138500 511762683 /nfs/dbraw/zinc/76/26/83/511762683.db2.gz RYZPZSVZRCZLNI-HXUWFJFHSA-N 1 2 372.432 2.760 40 0 FFABLO C[C@@H](CO)Nc1nc(Nc2ccc(F)c(F)c2)cc(-c2ccccc2)[nH+]1 ZINC000328969340 511957937 /nfs/dbraw/zinc/95/79/37/511957937.db2.gz DDMPGFMPCNOFIO-LBPRGKRZSA-N 1 2 356.376 2.802 40 0 FFABLO OCCCNc1nc(NCc2ccc(F)cc2)cc(-c2ccccc2)[nH+]1 ZINC000329017994 511968624 /nfs/dbraw/zinc/96/86/24/511968624.db2.gz NOOCKXUJHUNOIO-UHFFFAOYSA-N 1 2 352.413 2.533 40 0 FFABLO OCCNc1nc(NCc2ccccc2Cl)cc(-c2ccccc2)[nH+]1 ZINC000329059023 511976003 /nfs/dbraw/zinc/97/60/03/511976003.db2.gz WFCTYGSCGGSTNS-UHFFFAOYSA-N 1 2 354.841 2.657 40 0 FFABLO CSc1ccccc1Nc1cc(-c2ccccc2)[nH+]c(NCCO)n1 ZINC000329066620 511977047 /nfs/dbraw/zinc/97/70/47/511977047.db2.gz YCLJBCBAHQEMRO-UHFFFAOYSA-N 1 2 352.463 2.857 40 0 FFABLO OCCNc1nc(Nc2c(F)cccc2C(F)(F)F)cc(C2CC2)[nH+]1 ZINC000329071170 511977696 /nfs/dbraw/zinc/97/76/96/511977696.db2.gz ZNGRIVWHLVWKKJ-UHFFFAOYSA-N 1 2 356.323 2.504 40 0 FFABLO Cc1cc(C[NH+]2CC3(C2)C[C@H](OCc2cccc(C)n2)CS3)n(C)n1 ZINC000585105399 518541028 /nfs/dbraw/zinc/54/10/28/518541028.db2.gz VZOPGWLEVIVMEL-SFHVURJKSA-N 1 2 358.511 2.709 40 0 FFABLO Cc1ncccc1Oc1cncc([C@@H]2CCC[N@@H+]2CC(=O)N2CCCC2)n1 ZINC000072383627 571188730 /nfs/dbraw/zinc/18/87/30/571188730.db2.gz QPLYBKGUIGXYHJ-KRWDZBQOSA-N 1 2 367.453 2.732 40 0 FFABLO Cc1ncccc1Oc1cncc([C@@H]2CCC[N@H+]2CC(=O)N2CCCC2)n1 ZINC000072383627 571188731 /nfs/dbraw/zinc/18/87/31/571188731.db2.gz QPLYBKGUIGXYHJ-KRWDZBQOSA-N 1 2 367.453 2.732 40 0 FFABLO Cc1cccnc1Nc1ccc([C@H]2CN(Cc3[nH]cc[nH+]3)CCO2)nc1 ZINC000257330927 210001283 /nfs/dbraw/zinc/00/12/83/210001283.db2.gz XQPQFYKDNFNMQG-QGZVFWFLSA-N 1 2 350.426 2.825 40 0 FFABLO COCCn1cc(-c2cc(C(=O)N3CCCC3)c3ccccn23)[nH+]c1C ZINC000096266819 209147759 /nfs/dbraw/zinc/14/77/59/209147759.db2.gz IOONKHNOOAPQPX-UHFFFAOYSA-N 1 2 352.438 2.994 40 0 FFABLO CC(C)Nc1nc(NC2CC2)c2c([nH+]1)CCN(C(=O)c1ccco1)CC2 ZINC000096254623 209145464 /nfs/dbraw/zinc/14/54/64/209145464.db2.gz NOLCEXZBTNMNQA-UHFFFAOYSA-N 1 2 355.442 2.705 40 0 FFABLO CCn1c2ccccc2[nH+]c1N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000012480765 207383061 /nfs/dbraw/zinc/38/30/61/207383061.db2.gz ZNNPKJOURRZEAD-UHFFFAOYSA-N 1 2 370.478 2.567 40 0 FFABLO Cn1cc[nH+]c1CN1CCCC[C@@H]1c1cc(C(=O)NC2CCCC2)[nH]n1 ZINC000072380520 208842979 /nfs/dbraw/zinc/84/29/79/208842979.db2.gz DETVDCGMNNHSDF-QGZVFWFLSA-N 1 2 356.474 2.543 40 0 FFABLO O=S(=O)(c1ccccc1)N1CC[C@@]2(C1)CCCN(c1cccc[nH+]1)C2 ZINC000096216730 132222575 /nfs/dbraw/zinc/22/25/75/132222575.db2.gz IIMXCUIHVKZROR-IBGZPJMESA-N 1 2 357.479 2.763 40 0 FFABLO C[C@@]1(c2ncc(C[NH+]3CCN(c4ccccn4)CC3)cn2)CCCCO1 ZINC000257264586 132295945 /nfs/dbraw/zinc/29/59/45/132295945.db2.gz LVDGVDNUNUQGOB-FQEVSTJZSA-N 1 2 353.470 2.610 40 0 FFABLO CCOc1ccccc1N1CC[NH+](CC(=O)N2[C@@H](C)CCC[C@@H]2C)CC1 ZINC000057712295 136130041 /nfs/dbraw/zinc/13/00/41/136130041.db2.gz LMPXSDBTNYKHJW-ROUUACIJSA-N 1 2 359.514 2.997 40 0 FFABLO Cc1ccc(-c2noc([C@@H]3C[C@@H](O)C[N@@H+]3Cc3cccnc3)n2)cc1F ZINC000015674324 507054142 /nfs/dbraw/zinc/05/41/42/507054142.db2.gz QXNQRRUDYLHFBD-WBVHZDCISA-N 1 2 354.385 2.887 40 0 biogenic,in-vitro FFABLO Cc1ccc(-c2noc([C@@H]3C[C@@H](O)C[N@H+]3Cc3cccnc3)n2)cc1F ZINC000015674324 507054147 /nfs/dbraw/zinc/05/41/47/507054147.db2.gz QXNQRRUDYLHFBD-WBVHZDCISA-N 1 2 354.385 2.887 40 0 biogenic,in-vitro FFABLO Cc1cc(-c2cnc(NCC[NH+]3CCOCC3)nc2-c2ccc(C)o2)on1 ZINC000019216693 507159255 /nfs/dbraw/zinc/15/92/55/507159255.db2.gz PTHIMHGBHQAYTK-UHFFFAOYSA-N 1 2 369.425 2.753 40 0 FFABLO COc1ncc(C(=O)N2CCC[C@@H](c3[nH+]c(C)n4c(C)csc34)C2)cn1 ZINC000019240452 507162866 /nfs/dbraw/zinc/16/28/66/507162866.db2.gz PWLLZZIGJXMKOW-CYBMUJFWSA-N 1 2 371.466 2.831 40 0 FFABLO CC(C)c1nc2c(c(N3CCOCC3)n1)CC[N@H+](Cc1cccc(O)c1)C2 ZINC000019453713 507173009 /nfs/dbraw/zinc/17/30/09/507173009.db2.gz ZBEOTCNCHKXFBY-UHFFFAOYSA-N 1 2 368.481 2.701 40 0 FFABLO CC(C)c1nc2c(c(N3CCOCC3)n1)CC[N@@H+](Cc1cccc(O)c1)C2 ZINC000019453713 507173017 /nfs/dbraw/zinc/17/30/17/507173017.db2.gz ZBEOTCNCHKXFBY-UHFFFAOYSA-N 1 2 368.481 2.701 40 0 FFABLO CCn1cc(C(=O)N2CC[N@H+](Cc3cccc(OC)c3)C[C@@H]2C)c(C)n1 ZINC000019524460 507175000 /nfs/dbraw/zinc/17/50/00/507175000.db2.gz IDBVVFIAHXZTPX-HNNXBMFYSA-N 1 2 356.470 2.567 40 0 FFABLO CCn1cc(C(=O)N2CC[N@@H+](Cc3cccc(OC)c3)C[C@@H]2C)c(C)n1 ZINC000019524460 507175009 /nfs/dbraw/zinc/17/50/09/507175009.db2.gz IDBVVFIAHXZTPX-HNNXBMFYSA-N 1 2 356.470 2.567 40 0 FFABLO CCn1cc(-c2cc(C(=O)NCCn3cc[nH+]c3)c3ccccc3n2)cn1 ZINC000019525115 507176821 /nfs/dbraw/zinc/17/68/21/507176821.db2.gz AYQJSCLZGJNTAT-UHFFFAOYSA-N 1 2 360.421 2.745 40 0 FFABLO COc1ccc(OC)c([C@H]2CCC[N@@H+]2CC(=O)Nc2cn(C)nc2C)c1 ZINC000019658856 507188714 /nfs/dbraw/zinc/18/87/14/507188714.db2.gz KFPRJFXKPFYWKN-QGZVFWFLSA-N 1 2 358.442 2.521 40 0 FFABLO COc1ccc(OC)c([C@H]2CCC[N@H+]2CC(=O)Nc2cn(C)nc2C)c1 ZINC000019658856 507188718 /nfs/dbraw/zinc/18/87/18/507188718.db2.gz KFPRJFXKPFYWKN-QGZVFWFLSA-N 1 2 358.442 2.521 40 0 FFABLO CCOC(=O)c1nnc2c(-c3ccccc3)c(C)nn2c1/C=C/[NH+](C)C ZINC000019960795 507207183 /nfs/dbraw/zinc/20/71/83/507207183.db2.gz YFFDFOGCXHPVRZ-VAWYXSNFSA-N 1 2 351.410 2.809 40 0 FFABLO CC(C)(C)OC(=O)N1CCN(c2ccc([C@H]3CCCCN3C=O)c[nH+]2)CC1 ZINC000072216435 507770765 /nfs/dbraw/zinc/77/07/65/507770765.db2.gz DTGNTKAKPUKGRR-QGZVFWFLSA-N 1 2 374.485 2.822 40 0 FFABLO COc1ccc(F)c(C[N@@H+]2CCc3nc(-c4ccncc4)[nH]c(=O)c3C2)c1 ZINC000072339831 507778612 /nfs/dbraw/zinc/77/86/12/507778612.db2.gz OVTIHRNOJSYLLF-UHFFFAOYSA-N 1 2 366.396 2.950 40 0 FFABLO COc1ccc(F)c(C[N@H+]2CCc3nc(-c4ccncc4)[nH]c(=O)c3C2)c1 ZINC000072339831 507778615 /nfs/dbraw/zinc/77/86/15/507778615.db2.gz OVTIHRNOJSYLLF-UHFFFAOYSA-N 1 2 366.396 2.950 40 0 FFABLO COc1ccc(C[N@@H+]2CCN3C(=O)N(Cc4ccc(C)cc4)C[C@H]3C2)cn1 ZINC000085436243 508308910 /nfs/dbraw/zinc/30/89/10/508308910.db2.gz BNMZVAKMILROGU-LJQANCHMSA-N 1 2 366.465 2.521 40 0 biogenic,in-vitro FFABLO COc1ccc(C[N@H+]2CCN3C(=O)N(Cc4ccc(C)cc4)C[C@H]3C2)cn1 ZINC000085436243 508308912 /nfs/dbraw/zinc/30/89/12/508308912.db2.gz BNMZVAKMILROGU-LJQANCHMSA-N 1 2 366.465 2.521 40 0 biogenic,in-vitro FFABLO CC(C)n1nccc1NC(=O)[C@H](C)[N@@H+]1CC[C@]2(C1)OCc1ccccc12 ZINC000186618110 509803960 /nfs/dbraw/zinc/80/39/60/509803960.db2.gz KCNKLUFYDYHJGA-MGPUTAFESA-N 1 2 354.454 2.922 40 0 FFABLO CC(C)n1nccc1NC(=O)[C@H](C)[N@H+]1CC[C@]2(C1)OCc1ccccc12 ZINC000186618110 509803966 /nfs/dbraw/zinc/80/39/66/509803966.db2.gz KCNKLUFYDYHJGA-MGPUTAFESA-N 1 2 354.454 2.922 40 0 FFABLO Cc1noc(C)c1C[N@@H+]1CCO[C@@H]2C[C@@H](COCc3ccncc3)C[C@H]21 ZINC000252015090 509830441 /nfs/dbraw/zinc/83/04/41/509830441.db2.gz VFOVGCHYONKJFW-DFQSSKMNSA-N 1 2 357.454 2.883 40 0 FFABLO Cc1noc(C)c1C[N@H+]1CCO[C@@H]2C[C@@H](COCc3ccncc3)C[C@H]21 ZINC000252015090 509830450 /nfs/dbraw/zinc/83/04/50/509830450.db2.gz VFOVGCHYONKJFW-DFQSSKMNSA-N 1 2 357.454 2.883 40 0 FFABLO C[C@H]1c2nc(CC(=O)NC3CC3)cn2CC[N@H+]1Cc1cccc2[nH]ccc21 ZINC000253591857 509900013 /nfs/dbraw/zinc/90/00/13/509900013.db2.gz QWZJGVWPNBJYHQ-AWEZNQCLSA-N 1 2 363.465 2.762 40 0 FFABLO C[C@H]1c2nc(CC(=O)NC3CC3)cn2CC[N@@H+]1Cc1cccc2[nH]ccc21 ZINC000253591857 509900018 /nfs/dbraw/zinc/90/00/18/509900018.db2.gz QWZJGVWPNBJYHQ-AWEZNQCLSA-N 1 2 363.465 2.762 40 0 FFABLO CN(C)C(=O)c1cnn2c1nccc2[C@@H]1CCCC[N@@H+]1Cc1cncs1 ZINC000257199691 509955676 /nfs/dbraw/zinc/95/56/76/509955676.db2.gz AANBSLVCYMYRHI-HNNXBMFYSA-N 1 2 370.482 2.615 40 0 FFABLO CN(C)C(=O)c1cnn2c1nccc2[C@@H]1CCCC[N@H+]1Cc1cncs1 ZINC000257199691 509955680 /nfs/dbraw/zinc/95/56/80/509955680.db2.gz AANBSLVCYMYRHI-HNNXBMFYSA-N 1 2 370.482 2.615 40 0 FFABLO CN(C)c1cc([C@H]2CCCN2C(=O)Cc2ccc3c(c2)OCO3)cc[nH+]1 ZINC000257249449 509964427 /nfs/dbraw/zinc/96/44/27/509964427.db2.gz JIKNWWYSRKVTEG-MRXNPFEDSA-N 1 2 353.422 2.783 40 0 FFABLO CNc1cc([C@H]2CCCN(C(=O)COc3ccc(OC)cc3)C2)cc[nH+]1 ZINC000257254185 509966421 /nfs/dbraw/zinc/96/64/21/509966421.db2.gz KCCAFVQQOPHAAB-INIZCTEOSA-N 1 2 355.438 2.917 40 0 FFABLO COc1ccccc1[C@H]1Cn2c(C)c[nH+]c2CN1C(=O)C1CCOCC1 ZINC000257296895 509975338 /nfs/dbraw/zinc/97/53/38/509975338.db2.gz REWRVFQJJKAVBL-QGZVFWFLSA-N 1 2 355.438 2.710 40 0 FFABLO CNc1nc(Nc2cc(C(=O)OC)ccc2OC)cc(-c2ccccc2)[nH+]1 ZINC000329066565 511976611 /nfs/dbraw/zinc/97/66/11/511976611.db2.gz YAYJQEQSIQVIFP-UHFFFAOYSA-N 1 2 364.405 2.568 40 0 FFABLO COC(=O)c1cccc(NC(=O)c2cccc(C[NH+]3CCOCC3)c2)c1 ZINC000020452626 522236426 /nfs/dbraw/zinc/23/64/26/522236426.db2.gz AIHLDONCJVBVKC-UHFFFAOYSA-N 1 2 354.406 2.558 40 0 FFABLO CC(=O)N[C@H]1[C@H](c2ccccc2)[N@H+](Cc2ccncc2Cl)CC[C@@]1(C)O ZINC000514289318 560032938 /nfs/dbraw/zinc/03/29/38/560032938.db2.gz ICSRBFAYSWQJAQ-SLFFLAALSA-N 1 2 373.884 2.938 40 0 biogenic,in-vitro FFABLO CC(=O)N[C@H]1[C@H](c2ccccc2)[N@@H+](Cc2ccncc2Cl)CC[C@@]1(C)O ZINC000514289318 560032939 /nfs/dbraw/zinc/03/29/39/560032939.db2.gz ICSRBFAYSWQJAQ-SLFFLAALSA-N 1 2 373.884 2.938 40 0 biogenic,in-vitro FFABLO Cc1ccc[nH+]c1Nc1ccc([C@H]2CN(Cc3ccnn3C)CCO2)nc1 ZINC000257295495 223055374 /nfs/dbraw/zinc/05/53/74/223055374.db2.gz QYNVITWIFLLWOH-LJQANCHMSA-N 1 2 364.453 2.836 40 0 FFABLO CC(C)n1cnc2c1[C@@H](C(=O)N(C)Cc1ccccn1)[N@@H+](C(C)C)CC2 ZINC000096264996 209147218 /nfs/dbraw/zinc/14/72/18/209147218.db2.gz XZQYDFWWURYNMX-IBGZPJMESA-N 1 2 355.486 2.825 40 0 FFABLO CC(C)n1cnc2c1[C@@H](C(=O)N(C)Cc1ccccn1)[N@H+](C(C)C)CC2 ZINC000096264996 209147221 /nfs/dbraw/zinc/14/72/21/209147221.db2.gz XZQYDFWWURYNMX-IBGZPJMESA-N 1 2 355.486 2.825 40 0 FFABLO O=C(c1ccsc1)N1CCC2(CC1)C[N@H+](Cc1cccnc1)CCO2 ZINC000096158799 209127073 /nfs/dbraw/zinc/12/70/73/209127073.db2.gz LMLQZGWNOLSJBN-UHFFFAOYSA-N 1 2 357.479 2.650 40 0 FFABLO O=C(c1ccsc1)N1CCC2(CC1)C[N@@H+](Cc1cccnc1)CCO2 ZINC000096158799 209127077 /nfs/dbraw/zinc/12/70/77/209127077.db2.gz LMLQZGWNOLSJBN-UHFFFAOYSA-N 1 2 357.479 2.650 40 0 FFABLO O=C(c1cccc(Cl)c1)N1CCCn2nnc(C[NH+]3CCCCC3)c2C1 ZINC000096084734 209109584 /nfs/dbraw/zinc/10/95/84/209109584.db2.gz ABTJXVWNRYXACB-UHFFFAOYSA-N 1 2 373.888 2.964 40 0 FFABLO C[C@@H](CNC(=O)C1=NO[C@]2(CCN(c3cccc[nH+]3)C2)C1)c1ccccc1 ZINC000096074526 209107703 /nfs/dbraw/zinc/10/77/03/209107703.db2.gz JFAYIWNXFKYPAW-HRAATJIYSA-N 1 2 364.449 2.727 40 0 FFABLO CCc1nc(CN2CC[NH+](Cc3ccc(OC(C)C)c(OC)c3)CC2)no1 ZINC000093283436 250027568 /nfs/dbraw/zinc/02/75/68/250027568.db2.gz JVGKRMSJBQJJMJ-UHFFFAOYSA-N 1 2 374.485 2.746 40 0 FFABLO CNc1ncc(C[N@@H+](Cc2cc(OC)ccc2OC)C[C@@H]2CCCO2)cn1 ZINC000012187517 207346600 /nfs/dbraw/zinc/34/66/00/207346600.db2.gz GNCUHHKYGMAVTC-SFHVURJKSA-N 1 2 372.469 2.717 40 0 FFABLO CNc1ncc(C[N@H+](Cc2cc(OC)ccc2OC)C[C@@H]2CCCO2)cn1 ZINC000012187517 207346603 /nfs/dbraw/zinc/34/66/03/207346603.db2.gz GNCUHHKYGMAVTC-SFHVURJKSA-N 1 2 372.469 2.717 40 0 FFABLO CS(=O)(=O)c1cc(Cl)cnc1C1CC[NH+](Cc2ccccn2)CC1 ZINC000012222714 207350191 /nfs/dbraw/zinc/35/01/91/207350191.db2.gz LDSZHSWMVFDZRM-UHFFFAOYSA-N 1 2 365.886 2.913 40 0 FFABLO Cn1nnc2c1[C@@H](COCc1ccccn1)C[N@H+](Cc1cccs1)C2 ZINC000096060758 209105008 /nfs/dbraw/zinc/10/50/08/209105008.db2.gz PPUSCSJTHAPEHM-CQSZACIVSA-N 1 2 355.467 2.588 40 0 FFABLO Cn1nnc2c1[C@@H](COCc1ccccn1)C[N@@H+](Cc1cccs1)C2 ZINC000096060758 209105011 /nfs/dbraw/zinc/10/50/11/209105011.db2.gz PPUSCSJTHAPEHM-CQSZACIVSA-N 1 2 355.467 2.588 40 0 FFABLO FC1(F)CC[N@H+](Cc2nccs2)C[C@]12CCN(c1ncccn1)C2 ZINC000096051167 209103085 /nfs/dbraw/zinc/10/30/85/209103085.db2.gz RGSWEVFQKFDSCM-HNNXBMFYSA-N 1 2 351.426 2.671 40 0 FFABLO FC1(F)CC[N@@H+](Cc2nccs2)C[C@]12CCN(c1ncccn1)C2 ZINC000096051167 209103088 /nfs/dbraw/zinc/10/30/88/209103088.db2.gz RGSWEVFQKFDSCM-HNNXBMFYSA-N 1 2 351.426 2.671 40 0 FFABLO Cn1c[nH+]c2c1[C@@H](COCc1cccnc1)CN(C(=O)C1=CCCC1)C2 ZINC000096045033 209100590 /nfs/dbraw/zinc/10/05/90/209100590.db2.gz SHEWWOLYAQDRNH-QGZVFWFLSA-N 1 2 352.438 2.568 40 0 FFABLO c1cncc(COC[C@@H]2c3nnn(CC4CC4)c3CC[N@@H+]2C2CCC2)c1 ZINC000096045422 209100028 /nfs/dbraw/zinc/10/00/28/209100028.db2.gz VMSGOLBCDJGPHY-LJQANCHMSA-N 1 2 353.470 2.752 40 0 FFABLO c1cncc(COC[C@@H]2c3nnn(CC4CC4)c3CC[N@H+]2C2CCC2)c1 ZINC000096045422 209100031 /nfs/dbraw/zinc/10/00/31/209100031.db2.gz VMSGOLBCDJGPHY-LJQANCHMSA-N 1 2 353.470 2.752 40 0 FFABLO COc1cccc(NC(=O)[C@@]2(C)CCCN(c3cc(N(C)C)[nH+]cn3)C2)c1 ZINC000257305881 132296825 /nfs/dbraw/zinc/29/68/25/132296825.db2.gz SRXXMWOYKPXHEE-FQEVSTJZSA-N 1 2 369.469 2.796 40 0 FFABLO COc1cccc(NC(=O)[C@@]2(C)CCCN(c3cc(N(C)C)nc[nH+]3)C2)c1 ZINC000257305881 132296826 /nfs/dbraw/zinc/29/68/26/132296826.db2.gz SRXXMWOYKPXHEE-FQEVSTJZSA-N 1 2 369.469 2.796 40 0 FFABLO [NH2+]=C1S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc(OCc2ccccc2)cc1 ZINC000034924578 506373782 /nfs/dbraw/zinc/37/37/82/506373782.db2.gz XOQWRNDFWTZQKF-SJORKVTESA-N 1 2 374.487 2.919 40 0 FFABLO COc1ccc([C@@H](NC(=O)c2cccnc2Cl)c2[nH+]ccn2C)cc1 ZINC000012114933 506817581 /nfs/dbraw/zinc/81/75/81/506817581.db2.gz JMNJLSFLZYGGTK-OAHLLOKOSA-N 1 2 356.813 2.997 40 0 FFABLO COc1ccc(C[N@@H+]2CC[C@@H](c3cc4nc(C)cc(=O)n4[nH]3)C2)c(OC)c1 ZINC000013225717 506932587 /nfs/dbraw/zinc/93/25/87/506932587.db2.gz SHVVVSSBHXMHDA-CQSZACIVSA-N 1 2 368.437 2.750 40 0 FFABLO COc1ccc(C[N@H+]2CC[C@@H](c3cc4nc(C)cc(=O)n4[nH]3)C2)c(OC)c1 ZINC000013225717 506932595 /nfs/dbraw/zinc/93/25/95/506932595.db2.gz SHVVVSSBHXMHDA-CQSZACIVSA-N 1 2 368.437 2.750 40 0 FFABLO CC(=O)N1CCC[C@H](c2ncc3c(n2)CC[N@@H+](Cc2cccc(F)c2)C3)C1 ZINC000019017124 507153168 /nfs/dbraw/zinc/15/31/68/507153168.db2.gz PVIJAEAMDVCZGI-KRWDZBQOSA-N 1 2 368.456 2.900 40 0 FFABLO CC(=O)N1CCC[C@H](c2ncc3c(n2)CC[N@H+](Cc2cccc(F)c2)C3)C1 ZINC000019017124 507153174 /nfs/dbraw/zinc/15/31/74/507153174.db2.gz PVIJAEAMDVCZGI-KRWDZBQOSA-N 1 2 368.456 2.900 40 0 FFABLO CC(=O)N1CCc2nc([C@H]3CCCC[N@@H+]3Cc3ccncc3)ncc2C1 ZINC000019018305 507154243 /nfs/dbraw/zinc/15/42/43/507154243.db2.gz RWWDCYBBTODYCI-LJQANCHMSA-N 1 2 351.454 2.503 40 0 FFABLO CC(=O)N1CCc2nc([C@H]3CCCC[N@H+]3Cc3ccncc3)ncc2C1 ZINC000019018305 507154245 /nfs/dbraw/zinc/15/42/45/507154245.db2.gz RWWDCYBBTODYCI-LJQANCHMSA-N 1 2 351.454 2.503 40 0 FFABLO Cc1nc2c(c(N3CCC[C@@H](CO)C3)n1)C[N@H+](Cc1ccccc1)CC2 ZINC000019286200 507163292 /nfs/dbraw/zinc/16/32/92/507163292.db2.gz OXKJMVHXXXLQAX-GOSISDBHSA-N 1 2 352.482 2.552 40 0 FFABLO Cc1nc2c(c(N3CCC[C@@H](CO)C3)n1)C[N@@H+](Cc1ccccc1)CC2 ZINC000019286200 507163296 /nfs/dbraw/zinc/16/32/96/507163296.db2.gz OXKJMVHXXXLQAX-GOSISDBHSA-N 1 2 352.482 2.552 40 0 FFABLO CN(CCCNC(=O)c1cccc(C[NH+]2CCOCC2)c1)c1ccccc1 ZINC000068386041 507209871 /nfs/dbraw/zinc/20/98/71/507209871.db2.gz JBQGLRLEQKYKSG-UHFFFAOYSA-N 1 2 367.493 2.775 40 0 FFABLO COc1cc2ccccc2c(Br)c1C(=O)N1CC[NH+](C)CC1 ZINC000059843559 507503622 /nfs/dbraw/zinc/50/36/22/507503622.db2.gz PPMNKIXZMXFPGQ-UHFFFAOYSA-N 1 2 363.255 2.999 40 0 FFABLO O=C(Nc1ccc(C[NH+]2CCOCC2)cc1)c1cc2ccccc2oc1=O ZINC000026440583 507587215 /nfs/dbraw/zinc/58/72/15/507587215.db2.gz KLEKPRFSHCHMMB-UHFFFAOYSA-N 1 2 364.401 2.878 40 0 FFABLO Cc1occc1-c1cc2[nH]c3c(c(=O)n2n1)CC[N@H+](Cc1ccccn1)C3 ZINC000072339377 507776972 /nfs/dbraw/zinc/77/69/72/507776972.db2.gz QHKNSBGVFFCYMX-UHFFFAOYSA-N 1 2 361.405 2.957 40 0 FFABLO Cc1occc1-c1cc2[nH]c3c(c(=O)n2n1)CC[N@@H+](Cc1ccccn1)C3 ZINC000072339377 507776976 /nfs/dbraw/zinc/77/69/76/507776976.db2.gz QHKNSBGVFFCYMX-UHFFFAOYSA-N 1 2 361.405 2.957 40 0 FFABLO COc1ccc(C[N@@H+]2CCc3c(nc(N4CCCC[C@H]4C)[nH]c3=O)C2)cc1 ZINC000072347317 507778572 /nfs/dbraw/zinc/77/85/72/507778572.db2.gz XOTHCQNXQBUGMM-OAHLLOKOSA-N 1 2 368.481 2.716 40 0 FFABLO COc1ccc(C[N@H+]2CCc3c(nc(N4CCCC[C@H]4C)[nH]c3=O)C2)cc1 ZINC000072347317 507778576 /nfs/dbraw/zinc/77/85/76/507778576.db2.gz XOTHCQNXQBUGMM-OAHLLOKOSA-N 1 2 368.481 2.716 40 0 FFABLO CCc1[nH+]ccn1-c1cccc([C@H]2CCCN(C(=O)c3cc[nH]n3)C2)n1 ZINC000072379006 507780916 /nfs/dbraw/zinc/78/09/16/507780916.db2.gz WNWSBKKWMMNBCS-AWEZNQCLSA-N 1 2 350.426 2.573 40 0 FFABLO CCc1[nH+]ccn1-c1cccc([C@H]2CCCN(C(=O)c3ccn[nH]3)C2)n1 ZINC000072379006 507780922 /nfs/dbraw/zinc/78/09/22/507780922.db2.gz WNWSBKKWMMNBCS-AWEZNQCLSA-N 1 2 350.426 2.573 40 0 FFABLO C[C@]12C[N@H+](Cc3ccc(F)c(F)c3)C[C@H]1NC(=O)c1ccccc1C2=O ZINC000072395021 507781922 /nfs/dbraw/zinc/78/19/22/507781922.db2.gz IITWPGXYHLVZHG-XLIONFOSSA-N 1 2 356.372 2.782 40 0 FFABLO C[C@]12C[N@@H+](Cc3ccc(F)c(F)c3)C[C@H]1NC(=O)c1ccccc1C2=O ZINC000072395021 507781925 /nfs/dbraw/zinc/78/19/25/507781925.db2.gz IITWPGXYHLVZHG-XLIONFOSSA-N 1 2 356.372 2.782 40 0 FFABLO CCC[C@](C)(OCC)C(=O)Nc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000225692665 509383890 /nfs/dbraw/zinc/38/38/90/509383890.db2.gz FIRISANEYARTSZ-FQEVSTJZSA-N 1 2 364.486 2.931 40 0 FFABLO CNc1cc([C@@H]2CCCN(C(=O)COc3ccc(OC)cc3)C2)cc[nH+]1 ZINC000257254186 509965906 /nfs/dbraw/zinc/96/59/06/509965906.db2.gz KCCAFVQQOPHAAB-MRXNPFEDSA-N 1 2 355.438 2.917 40 0 FFABLO Cc1nc(Nc2cnccn2)cc([C@@H]2CCCCN2Cc2[nH+]ccn2C)n1 ZINC000257272122 509971555 /nfs/dbraw/zinc/97/15/55/509971555.db2.gz NBEDKBPLEKTEDM-INIZCTEOSA-N 1 2 364.457 2.779 40 0 FFABLO CC(C)c1cc(C(=O)N(C)C[C@]2(O)CCN(c3cccc[nH+]3)C2)cs1 ZINC000257302509 509975208 /nfs/dbraw/zinc/97/52/08/509975208.db2.gz SDEJIEUXUVDGAR-LJQANCHMSA-N 1 2 359.495 2.980 40 0 FFABLO CC(C)[C@@H](CO)Nc1nc(NCc2ccco2)cc(-c2cccnc2)[nH+]1 ZINC000328957071 511956411 /nfs/dbraw/zinc/95/64/11/511956411.db2.gz AIZPJNOIZFLLDD-QGZVFWFLSA-N 1 2 353.426 3.173 40 0 FFABLO Cc1cc(C[N@H+]2Cc3cccn3C[C@H](CC(=O)NCc3ccco3)C2)no1 ZINC000585099212 518534619 /nfs/dbraw/zinc/53/46/19/518534619.db2.gz VPWXQAUPJOZIKL-MRXNPFEDSA-N 1 2 368.437 2.716 40 0 FFABLO Cc1cc(C[N@@H+]2Cc3cccn3C[C@H](CC(=O)NCc3ccco3)C2)no1 ZINC000585099212 518534623 /nfs/dbraw/zinc/53/46/23/518534623.db2.gz VPWXQAUPJOZIKL-MRXNPFEDSA-N 1 2 368.437 2.716 40 0 FFABLO O=C(NCC[C@@H]1C[N@H+](Cc2cccs2)Cc2ccnn21)c1cscn1 ZINC000585112459 518544409 /nfs/dbraw/zinc/54/44/09/518544409.db2.gz QZQJDJLGTKCLLP-CYBMUJFWSA-N 1 2 373.507 2.778 40 0 FFABLO O=C(NCC[C@@H]1C[N@@H+](Cc2cccs2)Cc2ccnn21)c1cscn1 ZINC000585112459 518544414 /nfs/dbraw/zinc/54/44/14/518544414.db2.gz QZQJDJLGTKCLLP-CYBMUJFWSA-N 1 2 373.507 2.778 40 0 FFABLO COc1cccc(O[C@H](C)C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000020045555 526238853 /nfs/dbraw/zinc/23/88/53/526238853.db2.gz PQAKAOLTFBPNOM-OAHLLOKOSA-N 1 2 351.406 2.965 40 0 FFABLO O=C(NC[C@@H]1CCC2(C[NH+](Cc3ccccc3F)C2)OC1)N1CCCC1 ZINC000306126915 571213260 /nfs/dbraw/zinc/21/32/60/571213260.db2.gz FIUUNLUYKOSLLI-INIZCTEOSA-N 1 2 361.461 2.612 40 0 FFABLO COc1c(C)cccc1C[N@@H+]1CCc2nc3cc(C)[nH]n3c(=O)c2CC1 ZINC000100769187 209217698 /nfs/dbraw/zinc/21/76/98/209217698.db2.gz UCMKBPZUXVUJBC-UHFFFAOYSA-N 1 2 352.438 2.661 40 0 FFABLO COc1c(C)cccc1C[N@H+]1CCc2nc3cc(C)[nH]n3c(=O)c2CC1 ZINC000100769187 209217700 /nfs/dbraw/zinc/21/77/00/209217700.db2.gz UCMKBPZUXVUJBC-UHFFFAOYSA-N 1 2 352.438 2.661 40 0 FFABLO Cc1cccc(C(=O)N2CC[C@]3(C2)C[C@H](Nc2cccc[nH+]2)CCO3)n1 ZINC000096209242 209135752 /nfs/dbraw/zinc/13/57/52/209135752.db2.gz GKWKSNOIRQRWED-OXQOHEQNSA-N 1 2 352.438 2.661 40 0 FFABLO COc1ccc(C[NH+]2CC3(C2)CCN(C(=O)c2cscn2)C3)cc1F ZINC000096070766 209106293 /nfs/dbraw/zinc/10/62/93/209106293.db2.gz RARMMIMLHYPXCN-UHFFFAOYSA-N 1 2 361.442 2.639 40 0 FFABLO CN(C)c1ccc(-c2noc([C@@H]3CCC[N@@H+]3Cc3ccc(CO)o3)n2)cn1 ZINC000035426249 207156640 /nfs/dbraw/zinc/15/66/40/207156640.db2.gz PEGGPRMWYXQLHE-INIZCTEOSA-N 1 2 369.425 2.620 40 0 biogenic,in-vitro FFABLO CN(C)c1ccc(-c2noc([C@@H]3CCC[N@H+]3Cc3ccc(CO)o3)n2)cn1 ZINC000035426249 207156647 /nfs/dbraw/zinc/15/66/47/207156647.db2.gz PEGGPRMWYXQLHE-INIZCTEOSA-N 1 2 369.425 2.620 40 0 biogenic,in-vitro FFABLO CNc1ncc(C[N@@H+](Cc2ccc(OC)cc2OC)C[C@@H]2CCCO2)cn1 ZINC000012187269 207346274 /nfs/dbraw/zinc/34/62/74/207346274.db2.gz AKPRAGJCYHYJIQ-SFHVURJKSA-N 1 2 372.469 2.717 40 0 FFABLO CNc1ncc(C[N@H+](Cc2ccc(OC)cc2OC)C[C@@H]2CCCO2)cn1 ZINC000012187269 207346279 /nfs/dbraw/zinc/34/62/79/207346279.db2.gz AKPRAGJCYHYJIQ-SFHVURJKSA-N 1 2 372.469 2.717 40 0 FFABLO CCOc1ccc(C[N@H+]2CCc3nc4ccsc4c(=O)n3CC2)cc1 ZINC000012275839 207352866 /nfs/dbraw/zinc/35/28/66/207352866.db2.gz MXINIWASPMSDNB-UHFFFAOYSA-N 1 2 355.463 2.915 40 0 FFABLO CCOc1ccc(C[N@@H+]2CCc3nc4ccsc4c(=O)n3CC2)cc1 ZINC000012275839 207352871 /nfs/dbraw/zinc/35/28/71/207352871.db2.gz MXINIWASPMSDNB-UHFFFAOYSA-N 1 2 355.463 2.915 40 0 FFABLO CCOC(=O)C(=O)Nc1c[nH+]c(C)n1-c1nc(-c2ccc(F)cc2)cs1 ZINC000032615936 208033673 /nfs/dbraw/zinc/03/36/73/208033673.db2.gz IUKXMKPDQCEWTH-UHFFFAOYSA-N 1 2 374.397 2.945 40 0 FFABLO Cc1c(C(=O)N2CC[NH+](C)CC2)cnc2c(-c3ccc(Cl)cc3)cnn21 ZINC000038829593 208205713 /nfs/dbraw/zinc/20/57/13/208205713.db2.gz WCCGMWQQPGEKRS-UHFFFAOYSA-N 1 2 369.856 2.746 40 0 FFABLO CCOC[C@@H]1CN(Cc2cccnc2OC)Cc2[nH+]cn(CC3CC3)c21 ZINC000096045118 209100021 /nfs/dbraw/zinc/10/00/21/209100021.db2.gz VTARPTZBOQUQGI-KRWDZBQOSA-N 1 2 356.470 2.833 40 0 FFABLO O=C(NCc1ccccc1-n1cc[nH+]c1)c1ccc(N2CCOCC2)cc1 ZINC000038772889 506444184 /nfs/dbraw/zinc/44/41/84/506444184.db2.gz MBHPHOVRHFQXNP-UHFFFAOYSA-N 1 2 362.433 2.639 40 0 FFABLO CC(=O)N1CCc2nc([C@@H]3CCCC[N@@H+]3Cc3cccnc3)ncc2C1 ZINC000019018296 507154103 /nfs/dbraw/zinc/15/41/03/507154103.db2.gz IXLSXZFTSCCYEK-IBGZPJMESA-N 1 2 351.454 2.503 40 0 FFABLO CC(=O)N1CCc2nc([C@@H]3CCCC[N@H+]3Cc3cccnc3)ncc2C1 ZINC000019018296 507154109 /nfs/dbraw/zinc/15/41/09/507154109.db2.gz IXLSXZFTSCCYEK-IBGZPJMESA-N 1 2 351.454 2.503 40 0 FFABLO Cn1ccnc1[C@H](O)c1cccc(F)c1N1CC[NH+](Cc2ccco2)CC1 ZINC000019291286 507163245 /nfs/dbraw/zinc/16/32/45/507163245.db2.gz CECXCHROIUNYJR-LJQANCHMSA-N 1 2 370.428 2.556 40 0 FFABLO O=c1[nH]c(-c2ccncc2)nc2c1C[N@H+](Cc1ccc(F)c(F)c1)CC2 ZINC000019292958 507165067 /nfs/dbraw/zinc/16/50/67/507165067.db2.gz LKMRXAAGIRPICG-UHFFFAOYSA-N 1 2 354.360 2.668 40 0 FFABLO O=c1[nH]c(-c2ccncc2)nc2c1C[N@@H+](Cc1ccc(F)c(F)c1)CC2 ZINC000019292958 507165074 /nfs/dbraw/zinc/16/50/74/507165074.db2.gz LKMRXAAGIRPICG-UHFFFAOYSA-N 1 2 354.360 2.668 40 0 FFABLO CC(C)c1cc(C(=O)N2CCc3nc([C@H]4CCCC[N@@H+]4C)ncc3C2)[nH]n1 ZINC000019451891 507172020 /nfs/dbraw/zinc/17/20/20/507172020.db2.gz ODDCNXKQAUMADE-GOSISDBHSA-N 1 2 368.485 2.678 40 0 FFABLO CC(C)c1cc(C(=O)N2CCc3nc([C@H]4CCCC[N@H+]4C)ncc3C2)[nH]n1 ZINC000019451891 507172027 /nfs/dbraw/zinc/17/20/27/507172027.db2.gz ODDCNXKQAUMADE-GOSISDBHSA-N 1 2 368.485 2.678 40 0 FFABLO COc1ccc(OC)c([C@@H]2CCC[N@@H+]2CC(=O)Nc2cn(C)nc2C)c1 ZINC000019658854 507188445 /nfs/dbraw/zinc/18/84/45/507188445.db2.gz KFPRJFXKPFYWKN-KRWDZBQOSA-N 1 2 358.442 2.521 40 0 FFABLO COc1ccc(OC)c([C@@H]2CCC[N@H+]2CC(=O)Nc2cn(C)nc2C)c1 ZINC000019658854 507188450 /nfs/dbraw/zinc/18/84/50/507188450.db2.gz KFPRJFXKPFYWKN-KRWDZBQOSA-N 1 2 358.442 2.521 40 0 FFABLO COc1ccc(OCC2CC[NH+](CC(=O)Nc3nccs3)CC2)cc1 ZINC000019657755 507188820 /nfs/dbraw/zinc/18/88/20/507188820.db2.gz QFVLKBNJVGEVDV-UHFFFAOYSA-N 1 2 361.467 2.881 40 0 FFABLO CC[C@@H]1C(=O)NCCN1C(=O)CCCn1c2ccccc2[nH+]c1C(C)C ZINC000019718071 507196727 /nfs/dbraw/zinc/19/67/27/507196727.db2.gz NTEAETVGFRQVTE-MRXNPFEDSA-N 1 2 356.470 2.677 40 0 FFABLO CCOC(=O)c1n[nH]cc1-c1c[nH+]cn1Cc1ccc2c(c1)CCCO2 ZINC000019719722 507197367 /nfs/dbraw/zinc/19/73/67/507197367.db2.gz HQOSLAGLBLQEFI-UHFFFAOYSA-N 1 2 352.394 2.823 40 0 FFABLO COC(=O)c1c(NC(=O)COc2ccccc2C)sc2c1CC[N@H+](C)C2 ZINC000020242025 507214975 /nfs/dbraw/zinc/21/49/75/507214975.db2.gz AJRQOUJAFDLBJP-UHFFFAOYSA-N 1 2 374.462 2.849 40 0 FFABLO COC(=O)c1c(NC(=O)COc2ccccc2C)sc2c1CC[N@@H+](C)C2 ZINC000020242025 507214983 /nfs/dbraw/zinc/21/49/83/507214983.db2.gz AJRQOUJAFDLBJP-UHFFFAOYSA-N 1 2 374.462 2.849 40 0 FFABLO CCC[NH+]1CCN(C(=O)CSc2nc3ccc(Cl)cc3[nH]2)CC1 ZINC000022873774 507317522 /nfs/dbraw/zinc/31/75/22/507317522.db2.gz XQVAJQRXGYDDBL-UHFFFAOYSA-N 1 2 352.891 2.863 40 0 FFABLO CCc1[nH+]ccn1-c1cccc(C2CCN(C(=O)c3c[nH]nc3C)CC2)n1 ZINC000072378566 507781423 /nfs/dbraw/zinc/78/14/23/507781423.db2.gz XHWCXZZIQPEMJQ-UHFFFAOYSA-N 1 2 364.453 2.881 40 0 FFABLO CCOc1ccc([C@@H]([NH3+])c2nc(COc3ccc(F)cc3)n[nH]2)cc1OC ZINC000095534261 508197609 /nfs/dbraw/zinc/19/76/09/508197609.db2.gz ULUYBDGCHISHRI-GOSISDBHSA-N 1 2 372.400 2.978 40 0 FFABLO COc1ccc([C@@H]2CCN(C(=O)N[C@@H]3CCN(c4cccc[nH+]4)C3)C2)cc1 ZINC000128667271 508626376 /nfs/dbraw/zinc/62/63/76/508626376.db2.gz LWWTYCMTRVRWLT-QZTJIDSGSA-N 1 2 366.465 2.868 40 0 FFABLO O=C(c1ccsc1)N1Cc2ccnn2C[C@@H](CNc2cccc[nH+]2)C1 ZINC000247893766 509188352 /nfs/dbraw/zinc/18/83/52/509188352.db2.gz ZJEDAVTWDIQUHM-AWEZNQCLSA-N 1 2 353.451 2.724 40 0 FFABLO O=C(Cc1cccc(Cl)c1)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000223152176 509330781 /nfs/dbraw/zinc/33/07/81/509330781.db2.gz SEXXVEMMMLTNAV-UHFFFAOYSA-N 1 2 372.852 2.956 40 0 FFABLO CC(C)n1nccc1NC(=O)[C@@H](C)[N@@H+]1CC[C@@]2(C1)OCc1ccccc12 ZINC000248697987 509441244 /nfs/dbraw/zinc/44/12/44/509441244.db2.gz KCNKLUFYDYHJGA-QRWLVFNGSA-N 1 2 354.454 2.922 40 0 FFABLO CC(C)n1nccc1NC(=O)[C@@H](C)[N@H+]1CC[C@@]2(C1)OCc1ccccc12 ZINC000248697987 509441248 /nfs/dbraw/zinc/44/12/48/509441248.db2.gz KCNKLUFYDYHJGA-QRWLVFNGSA-N 1 2 354.454 2.922 40 0 FFABLO O=C([O-])c1ccc(C[N@@H+]2CCC[C@@H](c3cncc(-n4cc[nH+]c4)n3)C2)cc1 ZINC000257200006 509955737 /nfs/dbraw/zinc/95/57/37/509955737.db2.gz ABPMHOONWDLFLT-QGZVFWFLSA-N 1 2 363.421 2.740 40 0 FFABLO O=C([O-])c1ccc(C[N@H+]2CCC[C@@H](c3cncc(-n4cc[nH+]c4)n3)C2)cc1 ZINC000257200006 509955742 /nfs/dbraw/zinc/95/57/42/509955742.db2.gz ABPMHOONWDLFLT-QGZVFWFLSA-N 1 2 363.421 2.740 40 0 FFABLO Cc1[nH+]cc(-c2cncc([C@H]3CCCN(C(=O)c4ccncc4)C3)n2)n1C ZINC000257214660 509958312 /nfs/dbraw/zinc/95/83/12/509958312.db2.gz CMXRIJVAOCSOAL-INIZCTEOSA-N 1 2 362.437 2.600 40 0 FFABLO Cc1cc(C)nc(Nc2nccnc2[C@@H]2CCCN2Cc2cn(C)c[nH+]2)n1 ZINC000257231610 509962023 /nfs/dbraw/zinc/96/20/23/509962023.db2.gz GHLGRTCTPWFCBU-INIZCTEOSA-N 1 2 364.457 2.698 40 0 FFABLO Cn1cc(C[N@@H+]2CCO[C@H](c3nccnc3-c3cccc(F)c3)C2)cn1 ZINC000257312239 509977208 /nfs/dbraw/zinc/97/72/08/509977208.db2.gz UMZCKCCWGMYNAS-KRWDZBQOSA-N 1 2 353.401 2.590 40 0 FFABLO Cn1cc(C[N@H+]2CCO[C@H](c3nccnc3-c3cccc(F)c3)C2)cn1 ZINC000257312239 509977214 /nfs/dbraw/zinc/97/72/14/509977214.db2.gz UMZCKCCWGMYNAS-KRWDZBQOSA-N 1 2 353.401 2.590 40 0 FFABLO Cc1cn(C)c([C@H]2CCCN(C(=O)CCc3nc4ccccc4[nH]3)C2)[nH+]1 ZINC000257317956 509979089 /nfs/dbraw/zinc/97/90/89/509979089.db2.gz VLWWJNQATQJDSG-HNNXBMFYSA-N 1 2 351.454 2.944 40 0 FFABLO CCOc1ccsc1C(=O)N1C[C@H]2OC[C@H](CNc3cccc[nH+]3)[C@H]2C1 ZINC000306142026 511761867 /nfs/dbraw/zinc/76/18/67/511761867.db2.gz WNFJSKDQWICDSW-SQWLQELKSA-N 1 2 373.478 2.741 40 0 FFABLO c1cc(C[N@@H+]2CCO[C@@H](c3nnn4cc(-c5ccncc5)ccc34)C2)ccn1 ZINC000306137443 511762619 /nfs/dbraw/zinc/76/26/19/511762619.db2.gz QWHLJCLNSMXTPP-HXUWFJFHSA-N 1 2 372.432 2.760 40 0 FFABLO c1cc(C[N@H+]2CCO[C@@H](c3nnn4cc(-c5ccncc5)ccc34)C2)ccn1 ZINC000306137443 511762625 /nfs/dbraw/zinc/76/26/25/511762625.db2.gz QWHLJCLNSMXTPP-HXUWFJFHSA-N 1 2 372.432 2.760 40 0 FFABLO OCCNc1nc(Nc2ccc(F)c(Cl)c2)cc(-c2ccccc2)[nH+]1 ZINC000329007230 511965428 /nfs/dbraw/zinc/96/54/28/511965428.db2.gz LJIYUFSUNXACMQ-UHFFFAOYSA-N 1 2 358.804 2.928 40 0 FFABLO COc1cc(Nc2cc(C3CC3)[nH+]c(N[C@H](CO)C(C)C)n2)cc(OC)c1 ZINC000329032259 511971117 /nfs/dbraw/zinc/97/11/17/511971117.db2.gz QNZHIFMGPGWHHT-GOSISDBHSA-N 1 2 372.469 3.544 40 0 FFABLO Cc1cc(CN2CCn3c(CCOc4cccnc4)c[nH+]c3[C@H]2C)[nH]n1 ZINC000585097242 518532679 /nfs/dbraw/zinc/53/26/79/518532679.db2.gz GYBVDMUVZAKDRN-OAHLLOKOSA-N 1 2 352.442 2.508 40 0 FFABLO CC(C)CCC(=O)N1Cc2c[nH+]cn2[C@H](C(=O)NCc2cccs2)C1 ZINC000585096190 518533524 /nfs/dbraw/zinc/53/35/24/518533524.db2.gz XRQRWQZQLQLHFV-INIZCTEOSA-N 1 2 360.483 2.581 40 0 FFABLO CCc1nc(C[NH2+][C@H]2CCCN(C(C)=O)[C@H]2Cc2ccc(C)cc2)no1 ZINC000585286943 518556139 /nfs/dbraw/zinc/55/61/39/518556139.db2.gz YIYWAPYHHNMPDG-ROUUACIJSA-N 1 2 356.470 2.652 40 0 FFABLO CC(C)(C(=O)N[C@@H]1CCCOc2cc(Cl)ccc21)[NH+]1CCOCC1 ZINC000574544511 519208387 /nfs/dbraw/zinc/20/83/87/519208387.db2.gz ICRWBTAJQPXCPV-OAHLLOKOSA-N 1 2 352.862 2.781 40 0 FFABLO CC(C)c1nnc(CCC(=O)N2CCC[C@H]2c2cc[nH+]c(N(C)C)c2)o1 ZINC000257337353 210003339 /nfs/dbraw/zinc/00/33/39/210003339.db2.gz YSLQOHAXHIHHRC-HNNXBMFYSA-N 1 2 357.458 2.950 40 0 FFABLO COc1ccc(OCC(=O)N2CCC[C@@H]2c2cc[nH+]c(N(C)C)c2)cc1 ZINC000257332193 210000828 /nfs/dbraw/zinc/00/08/28/210000828.db2.gz XWFCLGMVBPALDC-GOSISDBHSA-N 1 2 355.438 2.899 40 0 FFABLO Cc1ccsc1C(=O)N1CCc2[nH+]c(NC(C)C)nc(N(C)C)c2C1 ZINC000096254052 209144806 /nfs/dbraw/zinc/14/48/06/209144806.db2.gz BESYVGSZQGYFTG-UHFFFAOYSA-N 1 2 359.499 2.931 40 0 FFABLO CC(C)n1cnc2c1[C@H](C(=O)N(C)Cc1ccccn1)[N@@H+](C(C)C)CC2 ZINC000096264995 209147700 /nfs/dbraw/zinc/14/77/00/209147700.db2.gz XZQYDFWWURYNMX-LJQANCHMSA-N 1 2 355.486 2.825 40 0 FFABLO CC(C)n1cnc2c1[C@H](C(=O)N(C)Cc1ccccn1)[N@H+](C(C)C)CC2 ZINC000096264995 209147702 /nfs/dbraw/zinc/14/77/02/209147702.db2.gz XZQYDFWWURYNMX-LJQANCHMSA-N 1 2 355.486 2.825 40 0 FFABLO CCCCn1c2nc(C[N@@H+]3CCC[C@H](C)C3)n(CCC)c2c(=O)[nH]c1=O ZINC000008136130 207220525 /nfs/dbraw/zinc/22/05/25/207220525.db2.gz SGNWFRWMKFRGNR-AWEZNQCLSA-N 1 2 361.490 2.741 40 0 FFABLO CCCCn1c2nc(C[N@H+]3CCC[C@H](C)C3)n(CCC)c2c(=O)[nH]c1=O ZINC000008136130 207220528 /nfs/dbraw/zinc/22/05/28/207220528.db2.gz SGNWFRWMKFRGNR-AWEZNQCLSA-N 1 2 361.490 2.741 40 0 FFABLO COc1cccc(NC(=O)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)c1 ZINC000008167759 207222021 /nfs/dbraw/zinc/22/20/21/207222021.db2.gz UWNPZCAICZXKFC-UHFFFAOYSA-N 1 2 369.421 2.774 40 0 FFABLO Cc1ncsc1C(=O)N1Cc2ccccc2OC[C@H]1Cn1cc[nH+]c1 ZINC000012128338 207341383 /nfs/dbraw/zinc/34/13/83/207341383.db2.gz LOPRATKRXINVLN-OAHLLOKOSA-N 1 2 354.435 2.752 40 0 FFABLO Cc1nc(Nc2ncccn2)cc([C@@H]2CCCN(c3cc[nH+]c(C)n3)C2)n1 ZINC000257256096 132296008 /nfs/dbraw/zinc/29/60/08/132296008.db2.gz KKBHAPGTLMPDLI-OAHLLOKOSA-N 1 2 362.441 2.801 40 0 FFABLO C[C@H]1CCCN(c2nc3c(c(=O)[nH]2)C[N@H+](Cc2ccc(F)c(F)c2)CC3)C1 ZINC000072347476 136144839 /nfs/dbraw/zinc/14/48/39/136144839.db2.gz APTIWZUDEMMCDL-ZDUSSCGKSA-N 1 2 374.435 2.843 40 0 FFABLO C[C@H]1CCCN(c2nc3c(c(=O)[nH]2)C[N@@H+](Cc2ccc(F)c(F)c2)CC3)C1 ZINC000072347476 136144840 /nfs/dbraw/zinc/14/48/40/136144840.db2.gz APTIWZUDEMMCDL-ZDUSSCGKSA-N 1 2 374.435 2.843 40 0 FFABLO COc1cc(-c2n[nH]c([C@@H]([NH3+])Cc3ccccc3)n2)cc(OC)c1OC ZINC000095534835 209079542 /nfs/dbraw/zinc/07/95/42/209079542.db2.gz GLERXFLVOQHNTQ-AWEZNQCLSA-N 1 2 354.410 2.740 40 0 FFABLO CC[C@@H](c1nnnn1C(C)(C)C)[NH+]1CCN(c2ccccc2OC)CC1 ZINC000035310767 506379118 /nfs/dbraw/zinc/37/91/18/506379118.db2.gz AYCTZWOCKWUAHL-HNNXBMFYSA-N 1 2 358.490 2.710 40 0 FFABLO C[C@H]1C[N@H+](Cc2ccco2)[C@@H](C)CN1C(=O)c1[nH]ncc1Br ZINC000019575668 507181037 /nfs/dbraw/zinc/18/10/37/507181037.db2.gz BZSJAANJOOKLON-QWRGUYRKSA-N 1 2 367.247 2.500 40 0 FFABLO C[C@H]1C[N@@H+](Cc2ccco2)[C@@H](C)CN1C(=O)c1[nH]ncc1Br ZINC000019575668 507181043 /nfs/dbraw/zinc/18/10/43/507181043.db2.gz BZSJAANJOOKLON-QWRGUYRKSA-N 1 2 367.247 2.500 40 0 FFABLO C[C@@H](Oc1cccc(F)c1)C(=O)N1CCC(c2cc(C[NH+](C)C)[nH]n2)CC1 ZINC000019708930 507192350 /nfs/dbraw/zinc/19/23/50/507192350.db2.gz GFZYJNPKXDEIIL-CQSZACIVSA-N 1 2 374.460 2.784 40 0 FFABLO c1ccc(CN2C[NH+]=C3NC4(CCCC4)n4c5ccccc5nc4N3C2)nc1 ZINC000020676395 507232611 /nfs/dbraw/zinc/23/26/11/507232611.db2.gz SVAYOSWCSZMEGO-UHFFFAOYSA-N 1 2 373.464 2.855 40 0 FFABLO Cc1ccc(CC(=O)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)cc1C ZINC000026114388 507558745 /nfs/dbraw/zinc/55/87/45/507558745.db2.gz SXUFCXCMVZHCJG-UHFFFAOYSA-N 1 2 366.461 2.919 40 0 FFABLO CCOc1cc([C@@H]([NH3+])c2nnc(-c3ccc(OC)cc3)[nH]2)ccc1OC ZINC000095534369 508198087 /nfs/dbraw/zinc/19/80/87/508198087.db2.gz SBPLZPMBWMJCCI-QGZVFWFLSA-N 1 2 354.410 2.936 40 0 FFABLO CCOc1cc([C@@H]([NH3+])c2nc(-c3ccc(OC)cc3)n[nH]2)ccc1OC ZINC000095534369 508198092 /nfs/dbraw/zinc/19/80/92/508198092.db2.gz SBPLZPMBWMJCCI-QGZVFWFLSA-N 1 2 354.410 2.936 40 0 FFABLO COc1ccc(S(=O)(=O)NCc2ccc(-n3cc[nH+]c3)cc2)c(C)c1C ZINC000223765120 509348048 /nfs/dbraw/zinc/34/80/48/509348048.db2.gz WNCVMRKCPYZXRD-UHFFFAOYSA-N 1 2 371.462 2.976 40 0 FFABLO CC(=O)N1CCC(O)(c2csc(C[N@@H+]3CCc4ccccc4C3)n2)CC1 ZINC000225474551 509373947 /nfs/dbraw/zinc/37/39/47/509373947.db2.gz UJJWPVPUEVGANF-UHFFFAOYSA-N 1 2 371.506 2.531 40 0 biogenic,in-vitro FFABLO CC(=O)N1CCC(O)(c2csc(C[N@H+]3CCc4ccccc4C3)n2)CC1 ZINC000225474551 509373953 /nfs/dbraw/zinc/37/39/53/509373953.db2.gz UJJWPVPUEVGANF-UHFFFAOYSA-N 1 2 371.506 2.531 40 0 biogenic,in-vitro FFABLO Cc1ncsc1C[NH+]1CC2(C1)OCC[C@H]2CCNc1ncc(C)cn1 ZINC000253600345 509901673 /nfs/dbraw/zinc/90/16/73/509901673.db2.gz LHNKNKZDOBJBSP-OAHLLOKOSA-N 1 2 359.499 2.643 40 0 FFABLO Cc1cc(Nc2ncccn2)nc([C@@H]2CCCCN2Cc2c[nH+]c[nH]2)n1 ZINC000257280889 509970013 /nfs/dbraw/zinc/97/00/13/509970013.db2.gz OMUVXIYSQMGGMT-HNNXBMFYSA-N 1 2 350.430 2.769 40 0 FFABLO Cc1cc(Nc2ncccn2)nc([C@@H]2CCCCN2Cc2c[nH]c[nH+]2)n1 ZINC000257280889 509970015 /nfs/dbraw/zinc/97/00/15/509970015.db2.gz OMUVXIYSQMGGMT-HNNXBMFYSA-N 1 2 350.430 2.769 40 0 FFABLO O=C(c1cccs1)N1CCC[C@H]1c1ccnc(C[NH+]2CCOCC2)c1 ZINC000257301764 509974203 /nfs/dbraw/zinc/97/42/03/509974203.db2.gz RZVTYGYKPBCKCS-KRWDZBQOSA-N 1 2 357.479 2.953 40 0 FFABLO CNc1cc([C@@H]2CCCN(C(=O)CCc3nc(C(C)C)no3)C2)cc[nH+]1 ZINC000257300329 509974278 /nfs/dbraw/zinc/97/42/78/509974278.db2.gz RTVMBAHIUZIYPZ-OAHLLOKOSA-N 1 2 357.458 2.969 40 0 FFABLO Cc1cc(Nc2ncccn2)nc([C@H]2CCCCN2Cc2c[nH+]cn2C)n1 ZINC000257297157 509975504 /nfs/dbraw/zinc/97/55/04/509975504.db2.gz RGDBXQCFKDBFGR-MRXNPFEDSA-N 1 2 364.457 2.779 40 0 FFABLO Cc1[nH+]cc(-c2nccnc2C2CCN(C(=O)c3cccnc3)CC2)n1C ZINC000257310310 509977227 /nfs/dbraw/zinc/97/72/27/509977227.db2.gz UEOYMVNGMQKQOA-UHFFFAOYSA-N 1 2 362.437 2.600 40 0 FFABLO c1cncc(C[N@@H+]2CCO[C@@H](c3nnn4cc(-c5ccncc5)ccc34)C2)c1 ZINC000306135374 511759854 /nfs/dbraw/zinc/75/98/54/511759854.db2.gz OPDITLFMLULJCM-HXUWFJFHSA-N 1 2 372.432 2.760 40 0 FFABLO c1cncc(C[N@H+]2CCO[C@@H](c3nnn4cc(-c5ccncc5)ccc34)C2)c1 ZINC000306135374 511759860 /nfs/dbraw/zinc/75/98/60/511759860.db2.gz OPDITLFMLULJCM-HXUWFJFHSA-N 1 2 372.432 2.760 40 0 FFABLO Cn1ccc(C(=O)N2CCC3(Cc4[nH+]cc(-c5ccccc5)n4C3)CC2)n1 ZINC000306131498 511760980 /nfs/dbraw/zinc/76/09/80/511760980.db2.gz KGNUWHNPRDPQRR-UHFFFAOYSA-N 1 2 361.449 2.762 40 0 FFABLO CC(=O)NCc1[nH+]c(C2CCN(C(=O)C3(F)CCC3)CC2)n2ccccc12 ZINC000585113214 518545202 /nfs/dbraw/zinc/54/52/02/518545202.db2.gz IAJLIALHGPXZGA-UHFFFAOYSA-N 1 2 372.444 2.569 40 0 FFABLO Cc1csc(Nc2nccnc2[C@@H]2CCC[N@@H+](Cc3nccn3C)C2)n1 ZINC000585177449 518549270 /nfs/dbraw/zinc/54/92/70/518549270.db2.gz KZQQNSLNRPJISS-CQSZACIVSA-N 1 2 369.498 3.098 40 0 FFABLO Cc1csc(Nc2nccnc2[C@@H]2CCC[N@H+](Cc3nccn3C)C2)n1 ZINC000585177449 518549276 /nfs/dbraw/zinc/54/92/76/518549276.db2.gz KZQQNSLNRPJISS-CQSZACIVSA-N 1 2 369.498 3.098 40 0 FFABLO O=C(NCCSCc1ccco1)c1cccc(C[NH+]2CCOCC2)c1 ZINC000020459454 526373231 /nfs/dbraw/zinc/37/32/31/526373231.db2.gz GNKDHXSKEPGRPH-UHFFFAOYSA-N 1 2 360.479 2.775 40 0 FFABLO CC[C@H](C)n1nc(C(=O)N2CCC[N@H+](Cc3cnn(CC)c3)CC2)cc1C ZINC000679229661 570613946 /nfs/dbraw/zinc/61/39/46/570613946.db2.gz IHUKLTCMMWFZEP-INIZCTEOSA-N 1 2 372.517 2.727 40 0 FFABLO CC[C@H](C)n1nc(C(=O)N2CCC[N@@H+](Cc3cnn(CC)c3)CC2)cc1C ZINC000679229661 570613949 /nfs/dbraw/zinc/61/39/49/570613949.db2.gz IHUKLTCMMWFZEP-INIZCTEOSA-N 1 2 372.517 2.727 40 0 FFABLO NC(=O)c1sc2c(c1N)=C(c1ccco1)[C@@H]1CCCCCCC[C@H]1[NH+]=2 ZINC000261508256 210007278 /nfs/dbraw/zinc/00/72/78/210007278.db2.gz QWEPOPBXBLFBTC-VXGBXAGGSA-N 1 2 357.479 2.584 40 0 FFABLO Cc1cc(Nc2ncccn2)nc([C@@H]2CCCCN2Cc2cn(C)c[nH+]2)n1 ZINC000257277538 209984942 /nfs/dbraw/zinc/98/49/42/209984942.db2.gz NYHXTHGWJGCYIE-INIZCTEOSA-N 1 2 364.457 2.779 40 0 FFABLO COc1ccccc1C[NH+]1CC2(C1)OCC[C@@H]2COCc1ccccn1 ZINC000248121422 209924700 /nfs/dbraw/zinc/92/47/00/209924700.db2.gz DXVQJNZSYRBZOR-GOSISDBHSA-N 1 2 354.450 2.898 40 0 FFABLO COc1cccc(C[N@@H+]2C[C@H]3C[C@H](C(=O)Nc4ccccc4)[C@@H](C2)O3)c1 ZINC000096253401 209144750 /nfs/dbraw/zinc/14/47/50/209144750.db2.gz JXMWPJIUVRXDEA-HSALFYBXSA-N 1 2 352.434 2.923 40 0 FFABLO COc1cccc(C[N@H+]2C[C@H]3C[C@H](C(=O)Nc4ccccc4)[C@@H](C2)O3)c1 ZINC000096253401 209144752 /nfs/dbraw/zinc/14/47/52/209144752.db2.gz JXMWPJIUVRXDEA-HSALFYBXSA-N 1 2 352.434 2.923 40 0 FFABLO Cc1ccoc1C(=O)N1Cc2c[nH+]cn2C[C@@H](COc2ccccn2)C1 ZINC000096206764 209134666 /nfs/dbraw/zinc/13/46/66/209134666.db2.gz SOXSJUQQUFDLSO-HNNXBMFYSA-N 1 2 352.394 2.531 40 0 FFABLO Cc1ccoc1C(=O)N1Cc2c[nH+]cn2C[C@H](COc2ccccn2)C1 ZINC000096206763 209134308 /nfs/dbraw/zinc/13/43/08/209134308.db2.gz SOXSJUQQUFDLSO-OAHLLOKOSA-N 1 2 352.394 2.531 40 0 FFABLO Cn1c[nH+]c2c1[C@@H](COCc1ccccc1)N(C(=O)c1ccco1)CC2 ZINC000096187739 209132041 /nfs/dbraw/zinc/13/20/41/209132041.db2.gz OMHMMMCZELSSPN-QGZVFWFLSA-N 1 2 351.406 2.970 40 0 FFABLO COc1ccc([C@H]2CCN(C(=O)N[C@H]3CCN(c4cccc[nH+]4)C3)C2)cc1 ZINC000128667929 250773873 /nfs/dbraw/zinc/77/38/73/250773873.db2.gz LWWTYCMTRVRWLT-ROUUACIJSA-N 1 2 366.465 2.868 40 0 FFABLO Cc1ccccc1C(=O)NC1CC[NH+](CC(=O)Nc2ccc(F)cc2)CC1 ZINC000004909092 207061403 /nfs/dbraw/zinc/06/14/03/207061403.db2.gz FPHCFKDLPHSPGF-UHFFFAOYSA-N 1 2 369.440 2.967 40 0 FFABLO Cc1csc2c([C@@H]3CCCN(C(=O)CCCn4cncn4)C3)[nH+]c(C)n12 ZINC000019240410 207652166 /nfs/dbraw/zinc/65/21/66/207652166.db2.gz BGNBCLYGEZJWTG-OAHLLOKOSA-N 1 2 372.498 2.791 40 0 FFABLO Cc1ccc(NC(=O)Nc2c[nH+]c(N3CCOCC3)nc2N(C)C)cc1C ZINC000224147623 132281690 /nfs/dbraw/zinc/28/16/90/132281690.db2.gz PMBXOWVERYKRLY-UHFFFAOYSA-N 1 2 370.457 2.640 40 0 FFABLO O=C(CN1c2ccccc2C2=[NH+]CCCN2C1=O)NCc1ccc(F)cc1 ZINC000072335725 136144625 /nfs/dbraw/zinc/14/46/25/136144625.db2.gz FHNZASLIGGYPAE-UHFFFAOYSA-N 1 2 366.396 2.534 40 0 FFABLO CC(C)c1ncc(C[N@@H+]2CCc3nc(-c4ccncc4)[nH]c(=O)c3C2)cn1 ZINC000012121868 506818751 /nfs/dbraw/zinc/81/87/51/506818751.db2.gz CDLBHJRAXCNCSE-UHFFFAOYSA-N 1 2 362.437 2.716 40 0 FFABLO CC(C)c1ncc(C[N@H+]2CCc3nc(-c4ccncc4)[nH]c(=O)c3C2)cn1 ZINC000012121868 506818760 /nfs/dbraw/zinc/81/87/60/506818760.db2.gz CDLBHJRAXCNCSE-UHFFFAOYSA-N 1 2 362.437 2.716 40 0 FFABLO COc1ccc(C[N@@H+](Cc2cn(C)nc2C)C[C@H]2CCCO2)c(OC)c1 ZINC000012187196 506828853 /nfs/dbraw/zinc/82/88/53/506828853.db2.gz KQALLTPDNHXYGZ-LJQANCHMSA-N 1 2 359.470 2.927 40 0 FFABLO COc1ccc(C[N@H+](Cc2cn(C)nc2C)C[C@H]2CCCO2)c(OC)c1 ZINC000012187196 506828865 /nfs/dbraw/zinc/82/88/65/506828865.db2.gz KQALLTPDNHXYGZ-LJQANCHMSA-N 1 2 359.470 2.927 40 0 FFABLO COc1ccccc1CN(CCC[NH+]1CCOCC1)Cc1ccncc1 ZINC000013989968 506961130 /nfs/dbraw/zinc/96/11/30/506961130.db2.gz AQMGZNKHLPROOH-UHFFFAOYSA-N 1 2 355.482 2.815 40 0 FFABLO COc1ccc(NC(=O)C[C@@H]2[NH2+]CCc3c4ccccc4[nH]c3C2=O)cc1 ZINC000017074740 507114762 /nfs/dbraw/zinc/11/47/62/507114762.db2.gz PCTRKCVWTOHCNR-SFHVURJKSA-N 1 2 363.417 2.902 40 0 FFABLO COc1ccccc1C[N@H+]1CCc2nc3c(C)csc3c(=O)n2CC1 ZINC000019240332 507163277 /nfs/dbraw/zinc/16/32/77/507163277.db2.gz CQSJWFRTVSAFRB-UHFFFAOYSA-N 1 2 355.463 2.833 40 0 FFABLO COc1ccccc1C[N@@H+]1CCc2nc3c(C)csc3c(=O)n2CC1 ZINC000019240332 507163283 /nfs/dbraw/zinc/16/32/83/507163283.db2.gz CQSJWFRTVSAFRB-UHFFFAOYSA-N 1 2 355.463 2.833 40 0 FFABLO COCc1ccc(C[N@@H+]2CCc3c(=O)[nH]c(-c4cccnc4)nc3C2)o1 ZINC000019594499 507186510 /nfs/dbraw/zinc/18/65/10/507186510.db2.gz POWNICJLHNTBPE-UHFFFAOYSA-N 1 2 352.394 2.542 40 0 FFABLO COCc1ccc(C[N@H+]2CCc3c(=O)[nH]c(-c4cccnc4)nc3C2)o1 ZINC000019594499 507186516 /nfs/dbraw/zinc/18/65/16/507186516.db2.gz POWNICJLHNTBPE-UHFFFAOYSA-N 1 2 352.394 2.542 40 0 FFABLO CCn1cc(C[N@@H+]2CCO[C@@H](c3ccc(-c4cc[nH]n4)cn3)C2)c(C)n1 ZINC000019692506 507189820 /nfs/dbraw/zinc/18/98/20/507189820.db2.gz FJOLZGVBBKYUCS-LJQANCHMSA-N 1 2 352.442 2.570 40 0 FFABLO CCn1cc(C[N@H+]2CCO[C@@H](c3ccc(-c4cc[nH]n4)cn3)C2)c(C)n1 ZINC000019692506 507189821 /nfs/dbraw/zinc/18/98/21/507189821.db2.gz FJOLZGVBBKYUCS-LJQANCHMSA-N 1 2 352.442 2.570 40 0 FFABLO COc1ccc(C[NH+]2CC3(C2)OCC[C@@H]3COCc2ccncc2)cc1 ZINC000247921653 509191362 /nfs/dbraw/zinc/19/13/62/509191362.db2.gz XZICOCUPSFXXFM-LJQANCHMSA-N 1 2 354.450 2.898 40 0 FFABLO Cc1n[nH]cc1C[N@H+]1CCC[C@H](Cc2cc(Nc3nncs3)ncn2)C1 ZINC000257250214 509963496 /nfs/dbraw/zinc/96/34/96/509963496.db2.gz JLOPXKPVBWDUDY-CYBMUJFWSA-N 1 2 370.486 2.558 40 0 FFABLO O=C(NC1CCCC1)[C@H]1C[N@H+](CCOCc2ccccc2)Cc2ccnn21 ZINC000247726702 510868965 /nfs/dbraw/zinc/86/89/65/510868965.db2.gz DWYCDLPGCWGTFY-HXUWFJFHSA-N 1 2 368.481 2.515 40 0 FFABLO O=C(NC1CCCC1)[C@H]1C[N@@H+](CCOCc2ccccc2)Cc2ccnn21 ZINC000247726702 510868966 /nfs/dbraw/zinc/86/89/66/510868966.db2.gz DWYCDLPGCWGTFY-HXUWFJFHSA-N 1 2 368.481 2.515 40 0 FFABLO CC(C)[C@H](CO)Nc1nc(NC[C@H]2CCCO2)cc(-c2ccccc2)[nH+]1 ZINC000328955346 511956475 /nfs/dbraw/zinc/95/64/75/511956475.db2.gz ACGLCHKMLCZZOR-AEFFLSMTSA-N 1 2 356.470 3.163 40 0 FFABLO OCCCNc1nc(Nc2cc(Cl)c(O)c(Cl)c2)cc(C2CC2)[nH+]1 ZINC000329041917 511972259 /nfs/dbraw/zinc/97/22/59/511972259.db2.gz SKYOCCLHRNPCHN-UHFFFAOYSA-N 1 2 369.252 2.748 40 0 FFABLO COC(=O)c1c2c(sc1NC(=O)c1ccccc1OC)C[N@@H+](C)CC2 ZINC000408575713 513087688 /nfs/dbraw/zinc/08/76/88/513087688.db2.gz PSQVXYMGNQEWMJ-UHFFFAOYSA-N 1 2 360.435 2.784 40 0 FFABLO COC(=O)c1c2c(sc1NC(=O)c1ccccc1OC)C[N@H+](C)CC2 ZINC000408575713 513087692 /nfs/dbraw/zinc/08/76/92/513087692.db2.gz PSQVXYMGNQEWMJ-UHFFFAOYSA-N 1 2 360.435 2.784 40 0 FFABLO COc1ncccc1CN1CCn2c(CCOCC3CC3)c[nH+]c2[C@H]1C ZINC000585097969 518535603 /nfs/dbraw/zinc/53/56/03/518535603.db2.gz PVKKMNFQRHFXMV-OAHLLOKOSA-N 1 2 356.470 2.833 40 0 FFABLO O=C(NCC[C@H]1CCOC12C[NH+](Cc1cccs1)C2)C1CC(F)(F)C1 ZINC000585103368 518539567 /nfs/dbraw/zinc/53/95/67/518539567.db2.gz VCNHIJWRLZNBHV-AWEZNQCLSA-N 1 2 370.465 2.891 40 0 FFABLO CN(CCCNC(=O)c1ccc(C[NH+]2CCOCC2)cc1)c1ccccc1 ZINC000078554654 522768044 /nfs/dbraw/zinc/76/80/44/522768044.db2.gz NNXRXXQWGHITKQ-UHFFFAOYSA-N 1 2 367.493 2.775 40 0 FFABLO CCC[C@H](c1nnnn1CCOC)[NH+]1CCN(c2cccc(C)c2C)CC1 ZINC000057670007 535722965 /nfs/dbraw/zinc/72/29/65/535722965.db2.gz UYOOWYBVFONOCY-LJQANCHMSA-N 1 2 372.517 2.600 40 0 FFABLO O=C(NCc1ccc(-n2cc[nH+]c2)nc1)N1CCC[C@H]([C@@H]2CCCCO2)C1 ZINC000685938957 568434629 /nfs/dbraw/zinc/43/46/29/568434629.db2.gz RBOSNICYGXADMX-ROUUACIJSA-N 1 2 369.469 2.758 40 0 FFABLO Cc1ccc(-c2c[nH+]c3n2C[C@@]2(CCN(C(=O)c4ccnn4C)C2)C3)cc1 ZINC000306125750 571213197 /nfs/dbraw/zinc/21/31/97/571213197.db2.gz DBEJKOXCBAIGBD-NRFANRHFSA-N 1 2 361.449 2.681 40 0 FFABLO CN1CC[N@H+](Cc2ccco2)C[C@@H]1c1nnn2cc(-c3ccncc3)ccc12 ZINC000306127889 571213635 /nfs/dbraw/zinc/21/36/35/571213635.db2.gz GJXORQAQNGEPJL-HXUWFJFHSA-N 1 2 374.448 2.873 40 0 FFABLO CN1CC[N@@H+](Cc2ccco2)C[C@@H]1c1nnn2cc(-c3ccncc3)ccc12 ZINC000306127889 571213636 /nfs/dbraw/zinc/21/36/36/571213636.db2.gz GJXORQAQNGEPJL-HXUWFJFHSA-N 1 2 374.448 2.873 40 0 FFABLO COCC[C@@H]1Cn2cccc2C[N@H+](Cc2ccc(S(C)(=O)=O)cc2)C1 ZINC000585095093 571219883 /nfs/dbraw/zinc/21/98/83/571219883.db2.gz FLZOFYJKKRVWFR-KRWDZBQOSA-N 1 2 362.495 2.560 40 0 FFABLO COCC[C@@H]1Cn2cccc2C[N@@H+](Cc2ccc(S(C)(=O)=O)cc2)C1 ZINC000585095093 571219884 /nfs/dbraw/zinc/21/98/84/571219884.db2.gz FLZOFYJKKRVWFR-KRWDZBQOSA-N 1 2 362.495 2.560 40 0 FFABLO C[C@@](O)(CNC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1)c1ccsc1 ZINC000126154266 981185152 /nfs/dbraw/zinc/18/51/52/981185152.db2.gz VEAPGPWHOCSHOG-GOSISDBHSA-N 1 2 374.441 2.780 40 0 FFABLO CN(C)c1cc([C@H]2CCCN(C(=O)c3ccc4c(c3)OCO4)C2)cc[nH+]1 ZINC000257226237 529774370 /nfs/dbraw/zinc/77/43/70/529774370.db2.gz FJTARONHGSOXPM-INIZCTEOSA-N 1 2 353.422 2.896 40 0 FFABLO C[C@@H](CO)Nc1nc(NCc2ccccc2F)cc(-c2ccccc2)[nH+]1 ZINC000329069977 210134989 /nfs/dbraw/zinc/13/49/89/210134989.db2.gz ZBYRTEABSIBTEA-AWEZNQCLSA-N 1 2 352.413 2.531 40 0 FFABLO Cc1ccc(-c2c[nH+]c3n2C[C@]2(CCN(C(=O)c4ccnn4C)C2)C3)cc1 ZINC000306125751 210050130 /nfs/dbraw/zinc/05/01/30/210050130.db2.gz DBEJKOXCBAIGBD-OAQYLSRUSA-N 1 2 361.449 2.681 40 0 FFABLO CN(C)C(=O)NC[C@H]1C[N@H+](Cc2cccc3ccccc32)Cc2cncn21 ZINC000306124164 210049330 /nfs/dbraw/zinc/04/93/30/210049330.db2.gz BIBUDWODDKJZEU-IBGZPJMESA-N 1 2 363.465 2.864 40 0 FFABLO CN(C)C(=O)NC[C@H]1C[N@@H+](Cc2cccc3ccccc32)Cc2cncn21 ZINC000306124164 210049334 /nfs/dbraw/zinc/04/93/34/210049334.db2.gz BIBUDWODDKJZEU-IBGZPJMESA-N 1 2 363.465 2.864 40 0 FFABLO CN(C)C(=O)NC[C@H]1CN(Cc2cccc3ccccc32)Cc2c[nH+]cn21 ZINC000306124164 210049338 /nfs/dbraw/zinc/04/93/38/210049338.db2.gz BIBUDWODDKJZEU-IBGZPJMESA-N 1 2 363.465 2.864 40 0 FFABLO Cc1nc(Nc2cnccn2)cc([C@@H]2CCCC[N@H+]2Cc2cncn2C)n1 ZINC000257268943 223043479 /nfs/dbraw/zinc/04/34/79/223043479.db2.gz MNWZVAYQOXDERZ-KRWDZBQOSA-N 1 2 364.457 2.779 40 0 FFABLO Cc1nc(Nc2cnccn2)cc([C@@H]2CCCC[N@@H+]2Cc2cncn2C)n1 ZINC000257268943 223043485 /nfs/dbraw/zinc/04/34/85/223043485.db2.gz MNWZVAYQOXDERZ-KRWDZBQOSA-N 1 2 364.457 2.779 40 0 FFABLO Cc1nn(C)cc1C(=O)N1CC[N@@H+](Cc2ccccc2F)C[C@@H]1C(C)C ZINC000019583539 211238204 /nfs/dbraw/zinc/23/82/04/211238204.db2.gz MHNZYDXXJZVALQ-LJQANCHMSA-N 1 2 358.461 2.850 40 0 FFABLO Cc1nn(C)cc1C(=O)N1CC[N@H+](Cc2ccccc2F)C[C@@H]1C(C)C ZINC000019583539 211238208 /nfs/dbraw/zinc/23/82/08/211238208.db2.gz MHNZYDXXJZVALQ-LJQANCHMSA-N 1 2 358.461 2.850 40 0 FFABLO Cc1cc(NC(=O)C[N@H+]2CCC[C@H](c3nc4ccccc4n3C)C2)no1 ZINC000019715913 211248436 /nfs/dbraw/zinc/24/84/36/211248436.db2.gz XPDDAHGHELWDTA-AWEZNQCLSA-N 1 2 353.426 2.688 40 0 FFABLO Cc1cc(NC(=O)C[N@@H+]2CCC[C@H](c3nc4ccccc4n3C)C2)no1 ZINC000019715913 211248441 /nfs/dbraw/zinc/24/84/41/211248441.db2.gz XPDDAHGHELWDTA-AWEZNQCLSA-N 1 2 353.426 2.688 40 0 FFABLO COC(C)(C)C(=O)N1CCC[C@@H](c2ccc(-c3ccc(N)[nH+]c3)cn2)C1 ZINC000019689251 211245976 /nfs/dbraw/zinc/24/59/76/211245976.db2.gz GCSIRGQWNHIQNR-MRXNPFEDSA-N 1 2 354.454 2.857 40 0 FFABLO CS(=O)(=O)c1cc(Cl)cnc1[C@H]1CCC[N@H+](Cc2ccncc2)C1 ZINC000019573337 211235864 /nfs/dbraw/zinc/23/58/64/211235864.db2.gz GZRQJHTZIMLYOP-AWEZNQCLSA-N 1 2 365.886 2.913 40 0 FFABLO CS(=O)(=O)c1cc(Cl)cnc1[C@H]1CCC[N@@H+](Cc2ccncc2)C1 ZINC000019573337 211235867 /nfs/dbraw/zinc/23/58/67/211235867.db2.gz GZRQJHTZIMLYOP-AWEZNQCLSA-N 1 2 365.886 2.913 40 0 FFABLO O=S1(=O)N=C([C@H]2CCC[N@H+](Cc3ccncc3)C2)Nc2ccccc21 ZINC000019375685 211220318 /nfs/dbraw/zinc/22/03/18/211220318.db2.gz PHJKNMNDWLXWCZ-HNNXBMFYSA-N 1 2 356.451 2.507 40 0 FFABLO O=S1(=O)N=C([C@H]2CCC[N@@H+](Cc3ccncc3)C2)Nc2ccccc21 ZINC000019375685 211220322 /nfs/dbraw/zinc/22/03/22/211220322.db2.gz PHJKNMNDWLXWCZ-HNNXBMFYSA-N 1 2 356.451 2.507 40 0 FFABLO CCOC(=O)C[NH+]1CCC(C2(c3cc4ccccc4[nH]3)OCCO2)CC1 ZINC000001560021 210360469 /nfs/dbraw/zinc/36/04/69/210360469.db2.gz NWKDRRZKIAMEOA-UHFFFAOYSA-N 1 2 358.438 2.643 40 0 FFABLO Cc1ccc(C(=O)N2CCC3(CC2)CN(c2cccc[nH+]2)CCO3)cc1 ZINC000096158997 132221360 /nfs/dbraw/zinc/22/13/60/132221360.db2.gz TVQKKKBWGGZUEN-UHFFFAOYSA-N 1 2 351.450 2.902 40 0 FFABLO C[C@@H](CO)Nc1cc(N2CCc3ccc(OC(F)(F)F)cc3C2)nc[nH+]1 ZINC000328955843 132371743 /nfs/dbraw/zinc/37/17/43/132371743.db2.gz ACVFTYBURMGLCU-NSHDSACASA-N 1 2 368.359 2.731 40 0 FFABLO C[C@@H](CO)Nc1cc(N2CCc3ccc(OC(F)(F)F)cc3C2)[nH+]cn1 ZINC000328955843 132371744 /nfs/dbraw/zinc/37/17/44/132371744.db2.gz ACVFTYBURMGLCU-NSHDSACASA-N 1 2 368.359 2.731 40 0 FFABLO C[N@H+](Cc1cn2c(n1)CN(C(=O)c1cccs1)CC2)Cc1cccnc1 ZINC000096086872 222017842 /nfs/dbraw/zinc/01/78/42/222017842.db2.gz ATIMUMGOSUWNFL-UHFFFAOYSA-N 1 2 367.478 2.628 40 0 FFABLO C[N@@H+](Cc1cn2c(n1)CN(C(=O)c1cccs1)CC2)Cc1cccnc1 ZINC000096086872 222017846 /nfs/dbraw/zinc/01/78/46/222017846.db2.gz ATIMUMGOSUWNFL-UHFFFAOYSA-N 1 2 367.478 2.628 40 0 FFABLO Cc1c(C(=O)N2CC[NH+](C)CC2)cnc2c(-c3cccc(Cl)c3)cnn21 ZINC000038829656 506446584 /nfs/dbraw/zinc/44/65/84/506446584.db2.gz SLFNMYVUZRVULX-UHFFFAOYSA-N 1 2 369.856 2.746 40 0 FFABLO CCn1nc(C)c(C[N@@H+]2CCc3nc(-c4ccccn4)[nH]c(=O)c3C2)c1C ZINC000012122744 506818830 /nfs/dbraw/zinc/81/88/30/506818830.db2.gz ZWNPFOKGAUQDFO-UHFFFAOYSA-N 1 2 364.453 2.636 40 0 FFABLO CCn1nc(C)c(C[N@H+]2CCc3nc(-c4ccccn4)[nH]c(=O)c3C2)c1C ZINC000012122744 506818843 /nfs/dbraw/zinc/81/88/43/506818843.db2.gz ZWNPFOKGAUQDFO-UHFFFAOYSA-N 1 2 364.453 2.636 40 0 FFABLO Cc1ncsc1C(=O)N1Cc2ccccc2OC[C@@H]1Cn1cc[nH+]c1 ZINC000012128333 506820059 /nfs/dbraw/zinc/82/00/59/506820059.db2.gz LOPRATKRXINVLN-HNNXBMFYSA-N 1 2 354.435 2.752 40 0 FFABLO COc1cc2c(cc1O)CC[N@H+](Cc1ccnc(N3CCCC3)n1)[C@@H]2C ZINC000012240775 506841187 /nfs/dbraw/zinc/84/11/87/506841187.db2.gz DIKYUMSUTVWVGG-CQSZACIVSA-N 1 2 354.454 2.910 40 0 FFABLO COc1cc2c(cc1O)CC[N@@H+](Cc1ccnc(N3CCCC3)n1)[C@@H]2C ZINC000012240775 506841192 /nfs/dbraw/zinc/84/11/92/506841192.db2.gz DIKYUMSUTVWVGG-CQSZACIVSA-N 1 2 354.454 2.910 40 0 FFABLO C[C@@H](C[NH+]1CCOCC1)NC(=O)c1ccc(Cl)c(N2CCCCC2)c1 ZINC000019714949 507194893 /nfs/dbraw/zinc/19/48/93/507194893.db2.gz DUEXYHNGUAVYLJ-HNNXBMFYSA-N 1 2 365.905 2.781 40 0 FFABLO Cc1cc(N2CCOCC2)nc(SC[C@H]2COc3ccccc3O2)[nH+]1 ZINC000022636496 507301756 /nfs/dbraw/zinc/30/17/56/507301756.db2.gz CKXVRMZVBINAKP-CQSZACIVSA-N 1 2 359.451 2.554 40 0 FFABLO CCc1[nH+]ccn1-c1cncc(C2CCN(C(=O)c3ccncc3)CC2)n1 ZINC000072355342 507779298 /nfs/dbraw/zinc/77/92/98/507779298.db2.gz DXANJXXMDILHTC-UHFFFAOYSA-N 1 2 362.437 2.640 40 0 FFABLO Nc1cc(-c2c[nH]nc2[C@@H]2CCCN2S(=O)(=O)c2ccccc2)cc[nH+]1 ZINC000072360798 507780409 /nfs/dbraw/zinc/78/04/09/507780409.db2.gz HOPULGFPQIYJBL-INIZCTEOSA-N 1 2 369.450 2.580 40 0 FFABLO Cn1cc(C[N@H+]2Cc3ncn(CC4CC4)c3[C@@H](COCC3CC3)C2)cn1 ZINC000096045149 508203437 /nfs/dbraw/zinc/20/34/37/508203437.db2.gz RCGVNLIYIFQRDC-GOSISDBHSA-N 1 2 355.486 2.553 40 0 FFABLO Cn1cc(C[N@@H+]2Cc3ncn(CC4CC4)c3[C@@H](COCC3CC3)C2)cn1 ZINC000096045149 508203439 /nfs/dbraw/zinc/20/34/39/508203439.db2.gz RCGVNLIYIFQRDC-GOSISDBHSA-N 1 2 355.486 2.553 40 0 FFABLO COc1cccc(C[N@H+]2Cc3ccnn3C[C@@H](OCc3ccncc3)C2)c1 ZINC000247945986 509194976 /nfs/dbraw/zinc/19/49/76/509194976.db2.gz ZLHUXXHWVDKICZ-NRFANRHFSA-N 1 2 364.449 2.888 40 0 FFABLO COc1cccc(C[N@@H+]2Cc3ccnn3C[C@@H](OCc3ccncc3)C2)c1 ZINC000247945986 509194984 /nfs/dbraw/zinc/19/49/84/509194984.db2.gz ZLHUXXHWVDKICZ-NRFANRHFSA-N 1 2 364.449 2.888 40 0 FFABLO Cc1occc1C(=O)N1Cc2ccnn2C[C@H](CNc2cccc[nH+]2)C1 ZINC000248007926 509214445 /nfs/dbraw/zinc/21/44/45/509214445.db2.gz HVWOHNYROUFAGR-OAHLLOKOSA-N 1 2 351.410 2.564 40 0 FFABLO c1cc2n(n1)[C@@H](COc1cccnc1)C[N@H+](Cc1ccc3c(c1)OCO3)C2 ZINC000248338141 509271884 /nfs/dbraw/zinc/27/18/84/509271884.db2.gz QSFBWDFRTBWTBR-QGZVFWFLSA-N 1 2 364.405 2.643 40 0 FFABLO c1cc2n(n1)[C@@H](COc1cccnc1)C[N@@H+](Cc1ccc3c(c1)OCO3)C2 ZINC000248338141 509271893 /nfs/dbraw/zinc/27/18/93/509271893.db2.gz QSFBWDFRTBWTBR-QGZVFWFLSA-N 1 2 364.405 2.643 40 0 FFABLO Cc1ccc(CC(=O)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)c(C)c1 ZINC000224699250 509359115 /nfs/dbraw/zinc/35/91/15/509359115.db2.gz AVBZFBUMNOMSNI-UHFFFAOYSA-N 1 2 366.461 2.919 40 0 FFABLO Cc1cccnc1NC(=S)NCc1ccccc1C[NH+]1CCOCC1 ZINC000225778915 509387321 /nfs/dbraw/zinc/38/73/21/509387321.db2.gz NLBHIFIHTTTXIM-UHFFFAOYSA-N 1 2 356.495 2.709 40 0 FFABLO Cc1noc(C)c1C[N@@H+]1CCO[C@@H]2C[C@H](COCc3ccncc3)C[C@H]21 ZINC000252015092 509831050 /nfs/dbraw/zinc/83/10/50/509831050.db2.gz VFOVGCHYONKJFW-MISYRCLQSA-N 1 2 357.454 2.883 40 0 FFABLO Cc1noc(C)c1C[N@H+]1CCO[C@@H]2C[C@H](COCc3ccncc3)C[C@H]21 ZINC000252015092 509831057 /nfs/dbraw/zinc/83/10/57/509831057.db2.gz VFOVGCHYONKJFW-MISYRCLQSA-N 1 2 357.454 2.883 40 0 FFABLO Cc1noc(C)c1C[NH+]1CCN(C(=O)c2cccc([C@H]3CCOC3)c2)CC1 ZINC000270482133 510883385 /nfs/dbraw/zinc/88/33/85/510883385.db2.gz IMFMBDFGBRBGPW-IBGZPJMESA-N 1 2 369.465 2.753 40 0 FFABLO CCOC[C@H]1CCn2c[nH+]cc2CN1C(=O)c1ccc2ncccc2c1 ZINC000585096858 518533302 /nfs/dbraw/zinc/53/33/02/518533302.db2.gz DTCQZGAOAXCHNF-QGZVFWFLSA-N 1 2 350.422 2.883 40 0 FFABLO O=C(Nc1ccccn1)c1cccc([C@H]2CCC[N@H+](Cc3ncc[nH]3)C2)n1 ZINC000257307007 534406616 /nfs/dbraw/zinc/40/66/16/534406616.db2.gz SWWARPNBAYUSQA-HNNXBMFYSA-N 1 2 362.437 2.832 40 0 FFABLO O=C(Nc1ccccn1)c1cccc([C@H]2CCC[N@@H+](Cc3ncc[nH]3)C2)n1 ZINC000257307007 534406624 /nfs/dbraw/zinc/40/66/24/534406624.db2.gz SWWARPNBAYUSQA-HNNXBMFYSA-N 1 2 362.437 2.832 40 0 FFABLO COc1ccc(Nc2cc(C3CC3)[nH+]c(N[C@H](CO)C(C)C)n2)cc1OC ZINC000329004771 571133877 /nfs/dbraw/zinc/13/38/77/571133877.db2.gz KTGJZMGNAANMMU-MRXNPFEDSA-N 1 2 372.469 3.544 40 0 FFABLO CN(C)c1cc([C@@H]2CCCN2C(=O)c2ccc3c(c2)OCCO3)cc[nH+]1 ZINC000257282618 529774372 /nfs/dbraw/zinc/77/43/72/529774372.db2.gz OUNKBTLRIWIPCQ-INIZCTEOSA-N 1 2 353.422 2.896 40 0 FFABLO COc1c(Br)cc(C(C)C)cc1C(=O)N1CC[NH+](C)CC1 ZINC000057339315 210207447 /nfs/dbraw/zinc/20/74/47/210207447.db2.gz CUYKPNPXYRUNDJ-UHFFFAOYSA-N 1 2 355.276 2.969 40 0 FFABLO OCCCNc1nc(Nc2c(F)cccc2C(F)(F)F)cc(C2CC2)[nH+]1 ZINC000329035875 210134116 /nfs/dbraw/zinc/13/41/16/210134116.db2.gz RGEXKNASLLHHNM-UHFFFAOYSA-N 1 2 370.350 2.894 40 0 FFABLO Cc1ccc(Nc2cc(-c3ccccc3)[nH+]c(NCCCO)n2)cc1F ZINC000329026187 210130909 /nfs/dbraw/zinc/13/09/09/210130909.db2.gz PKFRNGPXWJTJQV-UHFFFAOYSA-N 1 2 352.413 2.973 40 0 FFABLO Cc1cc(C[N@H+]2Cc3cccn3[C@H](CCOc3ccccn3)C2)n(C)n1 ZINC000306130684 210050433 /nfs/dbraw/zinc/05/04/33/210050433.db2.gz JMXLUNIFMVNSLT-GOSISDBHSA-N 1 2 351.454 2.951 40 0 FFABLO Cc1cc(C[N@@H+]2Cc3cccn3[C@H](CCOc3ccccn3)C2)n(C)n1 ZINC000306130684 210050438 /nfs/dbraw/zinc/05/04/38/210050438.db2.gz JMXLUNIFMVNSLT-GOSISDBHSA-N 1 2 351.454 2.951 40 0 FFABLO CCc1nnc(Nc2cnc([C@H]3CCC[N@H+](Cc4cc[nH]n4)C3)cn2)s1 ZINC000257333923 223069165 /nfs/dbraw/zinc/06/91/65/223069165.db2.gz YDRLKTLOXKNANR-LBPRGKRZSA-N 1 2 370.486 2.737 40 0 FFABLO CCc1nnc(Nc2cnc([C@H]3CCC[N@@H+](Cc4cc[nH]n4)C3)cn2)s1 ZINC000257333923 223069169 /nfs/dbraw/zinc/06/91/69/223069169.db2.gz YDRLKTLOXKNANR-LBPRGKRZSA-N 1 2 370.486 2.737 40 0 FFABLO CCn1cc(-c2cc(NCCCc3ccccc3OC)nc(N)[nH+]2)cn1 ZINC000019717952 211248652 /nfs/dbraw/zinc/24/86/52/211248652.db2.gz WFHSMQUKSOIBQX-UHFFFAOYSA-N 1 2 352.442 2.996 40 0 FFABLO CCC[C@H](C(=O)N1CC[NH+](Cc2ncccc2C)CC1)n1nc(C)cc1C ZINC000019501795 211225872 /nfs/dbraw/zinc/22/58/72/211225872.db2.gz JFFBITKELUWBDJ-HXUWFJFHSA-N 1 2 369.513 2.889 40 0 FFABLO COc1cccc(C[N@@H+]2CCN(C(=O)c3cc(C(C)C)nn3C)[C@H](C)C2)c1 ZINC000019497773 211225319 /nfs/dbraw/zinc/22/53/19/211225319.db2.gz ODTXIJDPIKONDD-MRXNPFEDSA-N 1 2 370.497 2.899 40 0 FFABLO COc1cccc(C[N@H+]2CCN(C(=O)c3cc(C(C)C)nn3C)[C@H](C)C2)c1 ZINC000019497773 211225325 /nfs/dbraw/zinc/22/53/25/211225325.db2.gz ODTXIJDPIKONDD-MRXNPFEDSA-N 1 2 370.497 2.899 40 0 FFABLO Cc1csc2c([C@H]3CCCN(C(=O)CCCn4cncn4)C3)[nH+]c(C)n12 ZINC000019240411 211211962 /nfs/dbraw/zinc/21/19/62/211211962.db2.gz BGNBCLYGEZJWTG-HNNXBMFYSA-N 1 2 372.498 2.791 40 0 FFABLO C[C@@H]1[C@H](c2ccccc2)CC[N@@H+]1CC1=Nc2ccccc2S(=O)(=O)N1 ZINC000333030711 258246061 /nfs/dbraw/zinc/24/60/61/258246061.db2.gz MBENTFJNOKMBRC-GDBMZVCRSA-N 1 2 355.463 2.887 40 0 FFABLO C[C@@H]1[C@H](c2ccccc2)CC[N@H+]1CC1=Nc2ccccc2S(=O)(=O)N1 ZINC000333030711 258246062 /nfs/dbraw/zinc/24/60/62/258246062.db2.gz MBENTFJNOKMBRC-GDBMZVCRSA-N 1 2 355.463 2.887 40 0 FFABLO CS(=O)(=O)c1c[nH]nc1[C@H]1CCC[N@H+](Cc2c[nH]c3ccccc23)C1 ZINC000257272789 533467077 /nfs/dbraw/zinc/46/70/77/533467077.db2.gz NDXAVVTWHQGSAD-ZDUSSCGKSA-N 1 2 358.467 2.674 40 0 FFABLO CS(=O)(=O)c1c[nH]nc1[C@H]1CCC[N@@H+](Cc2c[nH]c3ccccc23)C1 ZINC000257272789 533467078 /nfs/dbraw/zinc/46/70/78/533467078.db2.gz NDXAVVTWHQGSAD-ZDUSSCGKSA-N 1 2 358.467 2.674 40 0 FFABLO Cc1ccc(NC(=O)Nc2c[nH+]c(N3CCOCC3)nc2N(C)C)c(C)c1 ZINC000224148097 132281782 /nfs/dbraw/zinc/28/17/82/132281782.db2.gz UKUNMRCYHWKXIL-UHFFFAOYSA-N 1 2 370.457 2.640 40 0 FFABLO Cc1cnc(NC(=O)[C@]2(C)CCCN(c3cc(N(C)C)[nH+]cn3)C2)s1 ZINC000257312258 132297243 /nfs/dbraw/zinc/29/72/43/132297243.db2.gz UNBRVCYAZTYWCJ-QGZVFWFLSA-N 1 2 360.487 2.553 40 0 FFABLO Cc1cnc(NC(=O)[C@]2(C)CCCN(c3cc(N(C)C)nc[nH+]3)C2)s1 ZINC000257312258 132297245 /nfs/dbraw/zinc/29/72/45/132297245.db2.gz UNBRVCYAZTYWCJ-QGZVFWFLSA-N 1 2 360.487 2.553 40 0 FFABLO C[C@H]1c2ncc(COCC3CCOCC3)n2CC[N@H+]1Cc1cccnc1 ZINC000096109797 222027599 /nfs/dbraw/zinc/02/75/99/222027599.db2.gz ALPPNSHTOFOKMO-INIZCTEOSA-N 1 2 356.470 2.798 40 0 FFABLO C[C@H]1c2ncc(COCC3CCOCC3)n2CC[N@@H+]1Cc1cccnc1 ZINC000096109797 222027602 /nfs/dbraw/zinc/02/76/02/222027602.db2.gz ALPPNSHTOFOKMO-INIZCTEOSA-N 1 2 356.470 2.798 40 0 FFABLO C[C@H](CNC(=O)C1=NO[C@@]2(CCN(c3cccc[nH+]3)C2)C1)c1ccccc1 ZINC000096074529 222012689 /nfs/dbraw/zinc/01/26/89/222012689.db2.gz JFAYIWNXFKYPAW-IERDGZPVSA-N 1 2 364.449 2.727 40 0 FFABLO Cc1csc(C[N@@H+]2CC[C@H]3O[C@H](C(=O)Nc4cccnc4)CC[C@H]32)n1 ZINC000096186985 222070626 /nfs/dbraw/zinc/07/06/26/222070626.db2.gz NLXDOTKNAYDKDL-OAGGEKHMSA-N 1 2 358.467 2.607 40 0 FFABLO Cc1csc(C[N@H+]2CC[C@H]3O[C@H](C(=O)Nc4cccnc4)CC[C@H]32)n1 ZINC000096186985 222070630 /nfs/dbraw/zinc/07/06/30/222070630.db2.gz NLXDOTKNAYDKDL-OAGGEKHMSA-N 1 2 358.467 2.607 40 0 FFABLO CCOc1ccc(C[N@@H+]2CCc3nc4cc(C)[nH]n4c(=O)c3CC2)cc1 ZINC000100769172 222252431 /nfs/dbraw/zinc/25/24/31/222252431.db2.gz GEKYRCTXSJGJOA-UHFFFAOYSA-N 1 2 352.438 2.743 40 0 FFABLO CCOc1ccc(C[N@H+]2CCc3nc4cc(C)[nH]n4c(=O)c3CC2)cc1 ZINC000100769172 222252434 /nfs/dbraw/zinc/25/24/34/222252434.db2.gz GEKYRCTXSJGJOA-UHFFFAOYSA-N 1 2 352.438 2.743 40 0 FFABLO CCCOc1ccc2cc(S(=O)(=O)NCCCn3cc[nH+]c3)ccc2c1 ZINC000101370818 222271306 /nfs/dbraw/zinc/27/13/06/222271306.db2.gz SKRDMDYOACTBGU-UHFFFAOYSA-O 1 2 374.486 2.613 40 0 FFABLO O=C1C[C@@H]([N@H+]2CCCC[C@@H]2CCO)C(=O)N1c1cc(Cl)ccc1Cl ZINC000008570048 263356072 /nfs/dbraw/zinc/35/60/72/263356072.db2.gz OFHJHRCTFAQVMW-IUODEOHRSA-N 1 2 371.264 2.862 40 0 FFABLO O=C1C[C@@H]([N@@H+]2CCCC[C@@H]2CCO)C(=O)N1c1cc(Cl)ccc1Cl ZINC000008570048 263356075 /nfs/dbraw/zinc/35/60/75/263356075.db2.gz OFHJHRCTFAQVMW-IUODEOHRSA-N 1 2 371.264 2.862 40 0 FFABLO Cc1nc(NC(=O)C[NH+]2CCC(O)(c3ccc(F)cc3)CC2)sc1C ZINC000004967747 506410980 /nfs/dbraw/zinc/41/09/80/506410980.db2.gz MWOISAVEGKSDSR-UHFFFAOYSA-N 1 2 363.458 2.821 40 0 FFABLO S=C(Nc1cccc2cnncc21)N1CCN(c2cccc[nH+]2)CC1 ZINC000006045953 506464840 /nfs/dbraw/zinc/46/48/40/506464840.db2.gz HTJMSUROJNNIKM-UHFFFAOYSA-N 1 2 350.451 2.544 40 0 FFABLO COc1ncc(C(=O)N2CCC(c3[nH+]c(C)n4c(C)csc34)CC2)cn1 ZINC000012087556 506813817 /nfs/dbraw/zinc/81/38/17/506813817.db2.gz MWIFNWZIZTYDJW-UHFFFAOYSA-N 1 2 371.466 2.831 40 0 FFABLO O=C(NCc1cccc(N2CCCC2=O)c1)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000044853331 506893615 /nfs/dbraw/zinc/89/36/15/506893615.db2.gz CEFKBNGKDZNEDR-UHFFFAOYSA-N 1 2 374.444 2.988 40 0 FFABLO COc1cc(OC)cc(OCC(=O)NCc2ccccc2-n2cc[nH+]c2)c1 ZINC000044899933 506897701 /nfs/dbraw/zinc/89/77/01/506897701.db2.gz XKNSLZDKTVGLIH-UHFFFAOYSA-N 1 2 367.405 2.585 40 0 FFABLO COc1ccc(CC(=O)N2CCC[C@@H]2c2cncc(-n3cc[nH+]c3)n2)cc1 ZINC000072378373 507781338 /nfs/dbraw/zinc/78/13/38/507781338.db2.gz UXVSHJGJCVRDPV-GOSISDBHSA-N 1 2 363.421 2.577 40 0 FFABLO COC[C@@H]1CN(Cc2ccc3c(c2)OCO3)Cc2[nH+]cn(CC3CC3)c21 ZINC000096045060 508203509 /nfs/dbraw/zinc/20/35/09/508203509.db2.gz LETSQXLZXDYYOA-INIZCTEOSA-N 1 2 355.438 2.768 40 0 FFABLO COC[C@@H]1C[N@H+](Cc2ccc3c(c2)OCO3)Cc2ncn(CC3CC3)c21 ZINC000096045060 508203510 /nfs/dbraw/zinc/20/35/10/508203510.db2.gz LETSQXLZXDYYOA-INIZCTEOSA-N 1 2 355.438 2.768 40 0 FFABLO COC[C@@H]1C[N@@H+](Cc2ccc3c(c2)OCO3)Cc2ncn(CC3CC3)c21 ZINC000096045060 508203513 /nfs/dbraw/zinc/20/35/13/508203513.db2.gz LETSQXLZXDYYOA-INIZCTEOSA-N 1 2 355.438 2.768 40 0 FFABLO CCOC[C@@H]1CN(C(=O)c2c(C)noc2C)Cc2[nH+]cn(CC3CC3)c21 ZINC000096045138 508203747 /nfs/dbraw/zinc/20/37/47/508203747.db2.gz CNAGSWONPDMUCZ-HNNXBMFYSA-N 1 2 358.442 2.674 40 0 FFABLO Cn1cccc1C(=O)N1Cc2[nH+]cn(C)c2[C@@H](COCC2CCCC2)C1 ZINC000096044955 508203823 /nfs/dbraw/zinc/20/38/23/508203823.db2.gz BXRCKOSLVJPGSQ-MRXNPFEDSA-N 1 2 356.470 2.705 40 0 FFABLO CN(C)c1nc(N(C)C)c(NC(=O)c2cccc(C(F)(F)F)c2)c[nH+]1 ZINC000224349264 509357979 /nfs/dbraw/zinc/35/79/79/509357979.db2.gz FOJMJJQAINTQEN-UHFFFAOYSA-N 1 2 353.348 2.880 40 0 FFABLO CC(C)(Br)C(=O)Nc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000225594349 509377204 /nfs/dbraw/zinc/37/72/04/509377204.db2.gz BLNCZLXLRRCLHS-UHFFFAOYSA-N 1 2 371.275 2.510 40 0 FFABLO Cc1ccsc1C[N@H+]1Cc2ccnn2[C@@H](C(=O)NCc2ccccn2)C1 ZINC000253599891 509901089 /nfs/dbraw/zinc/90/10/89/509901089.db2.gz WJBMXYLVKGPZTN-QGZVFWFLSA-N 1 2 367.478 2.521 40 0 FFABLO Cc1ccsc1C[N@@H+]1Cc2ccnn2[C@@H](C(=O)NCc2ccccn2)C1 ZINC000253599891 509901101 /nfs/dbraw/zinc/90/11/01/509901101.db2.gz WJBMXYLVKGPZTN-QGZVFWFLSA-N 1 2 367.478 2.521 40 0 FFABLO Cc1c(F)cccc1NC(=O)C[N@@H+]1CC[C@H](Oc2ccccc2)[C@@](C)(O)C1 ZINC000257276037 509970529 /nfs/dbraw/zinc/97/05/29/509970529.db2.gz NSDAOWLSNHJIHK-FPOVZHCZSA-N 1 2 372.440 2.977 40 0 FFABLO Cc1c(F)cccc1NC(=O)C[N@H+]1CC[C@H](Oc2ccccc2)[C@@](C)(O)C1 ZINC000257276037 509970537 /nfs/dbraw/zinc/97/05/37/509970537.db2.gz NSDAOWLSNHJIHK-FPOVZHCZSA-N 1 2 372.440 2.977 40 0 FFABLO Cc1cc(CN2CCn3c(CCOc4ccccn4)c[nH+]c3[C@H]2C)no1 ZINC000585098696 518534546 /nfs/dbraw/zinc/53/45/46/518534546.db2.gz XLWXWEMOINDWSH-OAHLLOKOSA-N 1 2 353.426 2.773 40 0 FFABLO O=C(Cc1ccccc1)O[C@H](COCc1ccccc1)C[NH+]1CCOCC1 ZINC000020789755 527283276 /nfs/dbraw/zinc/28/32/76/527283276.db2.gz YPZJFYZQSUBLFQ-NRFANRHFSA-N 1 2 369.461 2.690 40 0 FFABLO O=C(NCCc1[nH+]ccn1Cc1ccccc1)N1CC[C@@]2(C1)CCCOC2 ZINC000685938842 568428973 /nfs/dbraw/zinc/42/89/73/568428973.db2.gz HHQYBZJEBJLEAF-OAQYLSRUSA-N 1 2 368.481 2.686 40 0 FFABLO Cn1cc[nH+]c1CN1CCCC[C@H]1c1cc(C(=O)NC2CCCC2)[nH]n1 ZINC000072380521 571188085 /nfs/dbraw/zinc/18/80/85/571188085.db2.gz DETVDCGMNNHSDF-KRWDZBQOSA-N 1 2 356.474 2.543 40 0 FFABLO CNC(=O)c1cnn2c1nccc2[C@H]1CCCC[N@@H+]1Cc1cccc(C)n1 ZINC000257337287 529954509 /nfs/dbraw/zinc/95/45/09/529954509.db2.gz YSEJIKDCEGLPLU-QGZVFWFLSA-N 1 2 364.453 2.520 40 0 FFABLO CNC(=O)c1cnn2c1nccc2[C@H]1CCCC[N@H+]1Cc1cccc(C)n1 ZINC000257337287 529954511 /nfs/dbraw/zinc/95/45/11/529954511.db2.gz YSEJIKDCEGLPLU-QGZVFWFLSA-N 1 2 364.453 2.520 40 0 FFABLO C[N@@H+]1CCc2c(sc(NC(=O)c3ccc4ncsc4c3)c2C(N)=O)C1 ZINC000004088588 219541116 /nfs/dbraw/zinc/54/11/16/219541116.db2.gz NLFZOLOZGTXVFC-UHFFFAOYSA-N 1 2 372.475 2.697 40 0 FFABLO C[N@H+]1CCc2c(sc(NC(=O)c3ccc4ncsc4c3)c2C(N)=O)C1 ZINC000004088588 219541118 /nfs/dbraw/zinc/54/11/18/219541118.db2.gz NLFZOLOZGTXVFC-UHFFFAOYSA-N 1 2 372.475 2.697 40 0 FFABLO Cc1cn(C)c([C@H]2CCCN(C(=O)CCn3cnc4ccccc43)C2)[nH+]1 ZINC000257208672 223020224 /nfs/dbraw/zinc/02/02/24/223020224.db2.gz BNDAEHSQGFSGQX-INIZCTEOSA-N 1 2 351.454 2.875 40 0 FFABLO Cc1nc2sccn2c1C[N@@H+]1CCO[C@H](CCc2cc(C)ncn2)C1 ZINC000257216320 223022859 /nfs/dbraw/zinc/02/28/59/223022859.db2.gz CTZPLXLKXFLFCS-MRXNPFEDSA-N 1 2 357.483 2.636 40 0 FFABLO Cc1nc2sccn2c1C[N@H+]1CCO[C@H](CCc2cc(C)ncn2)C1 ZINC000257216320 223022862 /nfs/dbraw/zinc/02/28/62/223022862.db2.gz CTZPLXLKXFLFCS-MRXNPFEDSA-N 1 2 357.483 2.636 40 0 FFABLO O=S(=O)(c1ccc(F)cc1)N1Cc2[nH+]ccn2C[C@@H]1c1ccccc1 ZINC000257277504 223048379 /nfs/dbraw/zinc/04/83/79/223048379.db2.gz NYFKJGBGXMBENV-QGZVFWFLSA-N 1 2 357.410 2.968 40 0 FFABLO Cn1cc(C[N@@H+]2CCO[C@@H](c3nccnc3-c3cccc(F)c3)C2)cn1 ZINC000257312240 223061942 /nfs/dbraw/zinc/06/19/42/223061942.db2.gz UMZCKCCWGMYNAS-QGZVFWFLSA-N 1 2 353.401 2.590 40 0 FFABLO Cn1cc(C[N@H+]2CCO[C@@H](c3nccnc3-c3cccc(F)c3)C2)cn1 ZINC000257312240 223061944 /nfs/dbraw/zinc/06/19/44/223061944.db2.gz UMZCKCCWGMYNAS-QGZVFWFLSA-N 1 2 353.401 2.590 40 0 FFABLO O=c1cc(CC[C@@H]2C[N@H+](Cc3ccc4ccccc4n3)CCO2)nc[nH]1 ZINC000257343442 223073568 /nfs/dbraw/zinc/07/35/68/223073568.db2.gz ZTBNNDRSVKVYRF-GOSISDBHSA-N 1 2 350.422 2.564 40 0 FFABLO O=c1cc(CC[C@@H]2C[N@@H+](Cc3ccc4ccccc4n3)CCO2)nc[nH]1 ZINC000257343442 223073571 /nfs/dbraw/zinc/07/35/71/223073571.db2.gz ZTBNNDRSVKVYRF-GOSISDBHSA-N 1 2 350.422 2.564 40 0 FFABLO c1ccc2c(c1)nc1n2C2(CCCC2)NC2=[NH+]CN(Cc3cccnc3)CN12 ZINC000020676400 211293954 /nfs/dbraw/zinc/29/39/54/211293954.db2.gz NTVNWTZMXKTFQH-UHFFFAOYSA-N 1 2 373.464 2.855 40 0 FFABLO CC(C)[C@@H](CNC(=O)c1cc(-c2cccc(F)c2)no1)[NH+]1CCOCC1 ZINC000019718142 211252334 /nfs/dbraw/zinc/25/23/34/211252334.db2.gz JHLUAKXESQCHGY-QGZVFWFLSA-N 1 2 361.417 2.567 40 0 FFABLO CCn1cc(-c2cc(C(=O)N[C@H](Cn3cc[nH+]c3)C(C)(C)C)no2)cn1 ZINC000019665278 211244890 /nfs/dbraw/zinc/24/48/90/211244890.db2.gz YTYOBOAAIWIDSP-MRXNPFEDSA-N 1 2 356.430 2.599 40 0 FFABLO O=c1[nH]c(-c2ccncc2)nc2c1CC[N@H+](CC1=Cc3ccccc3OC1)C2 ZINC000019375142 211222046 /nfs/dbraw/zinc/22/20/46/211222046.db2.gz UOTSRKIUEPBWOJ-UHFFFAOYSA-N 1 2 372.428 2.666 40 0 FFABLO O=c1[nH]c(-c2ccncc2)nc2c1CC[N@@H+](CC1=Cc3ccccc3OC1)C2 ZINC000019375142 211222048 /nfs/dbraw/zinc/22/20/48/211222048.db2.gz UOTSRKIUEPBWOJ-UHFFFAOYSA-N 1 2 372.428 2.666 40 0 FFABLO CNc1cc([C@H]2CCCN(C(=O)Cc3ccc4c(c3)OCO4)C2)cc[nH+]1 ZINC000257336394 533054762 /nfs/dbraw/zinc/05/47/62/533054762.db2.gz YOFKDVNEQFZKEQ-INIZCTEOSA-N 1 2 353.422 2.801 40 0 FFABLO CNc1cc([C@H]2CCCN(C(=O)c3cccc4c3OCCO4)C2)cc[nH+]1 ZINC000257317702 533055332 /nfs/dbraw/zinc/05/53/32/533055332.db2.gz VKVJMWJBYVDAJM-HNNXBMFYSA-N 1 2 353.422 2.914 40 0 FFABLO Cc1ccc(N2Cc3[nH+]cn(CC4CC4)c3[C@H](COCC3CC3)C2)nn1 ZINC000096045152 132217198 /nfs/dbraw/zinc/21/71/98/132217198.db2.gz YDUZRWGGSUKURI-KRWDZBQOSA-N 1 2 353.470 2.922 40 0 FFABLO CNC(=O)c1sc2nccnc2c1C1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000257230510 132295185 /nfs/dbraw/zinc/29/51/85/132295185.db2.gz GCQPBKDNGROZGH-UHFFFAOYSA-N 1 2 368.466 2.533 40 0 FFABLO C[C@H]1CCCC[C@@H]1NC(=O)CN1c2ccccc2C2=[NH+]CCCN2C1=O ZINC000072335719 136144603 /nfs/dbraw/zinc/14/46/03/136144603.db2.gz NVCFNXVPWHHNSD-HOCLYGCPSA-N 1 2 354.454 2.774 40 0 FFABLO O=C(c1ccsc1)N1CC[C@@H]([NH+]2CCOCC2)[C@@H]1Cc1ccccc1 ZINC000096061695 222008319 /nfs/dbraw/zinc/00/83/19/222008319.db2.gz LGGJVVJXWOAWPV-MOPGFXCFSA-N 1 2 356.491 2.906 40 0 FFABLO Cc1occc1C(=O)N1CC[C@@H]([NH+]2CCOCC2)[C@@H]1Cc1ccccc1 ZINC000096061694 222009346 /nfs/dbraw/zinc/00/93/46/222009346.db2.gz HDEYTQRMFCQRAB-UXHICEINSA-N 1 2 354.450 2.746 40 0 FFABLO CCc1nnc(NC(=O)[C@H]2CCCN(c3[nH+]c4ccccc4n3C)C2)s1 ZINC000012145802 506823675 /nfs/dbraw/zinc/82/36/75/506823675.db2.gz GKBYNXZCEHGDNM-LBPRGKRZSA-N 1 2 370.482 2.842 40 0 FFABLO COc1ccc(C[N@@H+]2CCc3c(nc(N4CCC[C@@H](C)C4)[nH]c3=O)C2)cc1 ZINC000012182678 506828029 /nfs/dbraw/zinc/82/80/29/506828029.db2.gz ZCHWOMOUZAPLSR-OAHLLOKOSA-N 1 2 368.481 2.573 40 0 FFABLO COc1ccc(C[N@H+]2CCc3c(nc(N4CCC[C@@H](C)C4)[nH]c3=O)C2)cc1 ZINC000012182678 506828035 /nfs/dbraw/zinc/82/80/35/506828035.db2.gz ZCHWOMOUZAPLSR-OAHLLOKOSA-N 1 2 368.481 2.573 40 0 FFABLO C[C@H]1CCCN(c2nc3c(c(=O)[nH]2)CC[N@H+](Cc2ccccc2F)C3)C1 ZINC000019496603 507171297 /nfs/dbraw/zinc/17/12/97/507171297.db2.gz IWFDQCLIRKIUDV-AWEZNQCLSA-N 1 2 356.445 2.704 40 0 FFABLO C[C@H]1CCCN(c2nc3c(c(=O)[nH]2)CC[N@@H+](Cc2ccccc2F)C3)C1 ZINC000019496603 507171306 /nfs/dbraw/zinc/17/13/06/507171306.db2.gz IWFDQCLIRKIUDV-AWEZNQCLSA-N 1 2 356.445 2.704 40 0 FFABLO Cc1ncc(C[N@@H+]2CCO[C@H](c3ccc(-c4cnn(C)c4)cn3)C2)s1 ZINC000019693795 507189559 /nfs/dbraw/zinc/18/95/59/507189559.db2.gz QZLVQHMBAQRRSJ-SFHVURJKSA-N 1 2 355.467 2.821 40 0 FFABLO Cc1ncc(C[N@H+]2CCO[C@H](c3ccc(-c4cnn(C)c4)cn3)C2)s1 ZINC000019693795 507189563 /nfs/dbraw/zinc/18/95/63/507189563.db2.gz QZLVQHMBAQRRSJ-SFHVURJKSA-N 1 2 355.467 2.821 40 0 FFABLO COc1ccc(-c2ncc(C[N@H+](CCO)Cc3cccnc3)cn2)cc1 ZINC000057796978 507329265 /nfs/dbraw/zinc/32/92/65/507329265.db2.gz KSBNHEOCDDNQKR-UHFFFAOYSA-N 1 2 350.422 2.542 40 0 FFABLO COc1ccc(-c2ncc(C[N@@H+](CCO)Cc3cccnc3)cn2)cc1 ZINC000057796978 507329278 /nfs/dbraw/zinc/32/92/78/507329278.db2.gz KSBNHEOCDDNQKR-UHFFFAOYSA-N 1 2 350.422 2.542 40 0 FFABLO Cc1ccc(C[N@H+]2CCc3c([nH]c4cc(-c5cc(C)on5)nn4c3=O)C2)o1 ZINC000072339413 507777449 /nfs/dbraw/zinc/77/74/49/507777449.db2.gz ZWCVSLWVRXOMSM-UHFFFAOYSA-N 1 2 365.393 2.858 40 0 FFABLO Cc1ccc(C[N@@H+]2CCc3c([nH]c4cc(-c5cc(C)on5)nn4c3=O)C2)o1 ZINC000072339413 507777454 /nfs/dbraw/zinc/77/74/54/507777454.db2.gz ZWCVSLWVRXOMSM-UHFFFAOYSA-N 1 2 365.393 2.858 40 0 FFABLO Cc1[nH]nc2ncc(C(=O)NCc3cc[nH+]c(N4CCCCCC4)c3)cc12 ZINC000107276406 507841683 /nfs/dbraw/zinc/84/16/83/507841683.db2.gz VXBKQBQKWUXXBK-UHFFFAOYSA-N 1 2 364.453 2.972 40 0 FFABLO Cn1c[nH+]c2c1[C@@H](COCC1CC1)CN(Cc1ccc3c(c1)OCO3)C2 ZINC000096044903 508203807 /nfs/dbraw/zinc/20/38/07/508203807.db2.gz UTTFIKSOUMDHFP-MRXNPFEDSA-N 1 2 355.438 2.675 40 0 FFABLO Cn1cnc2c1[C@@H](COCC1CC1)C[N@H+](Cc1ccc3c(c1)OCO3)C2 ZINC000096044903 508203809 /nfs/dbraw/zinc/20/38/09/508203809.db2.gz UTTFIKSOUMDHFP-MRXNPFEDSA-N 1 2 355.438 2.675 40 0 FFABLO Cn1cnc2c1[C@@H](COCC1CC1)C[N@@H+](Cc1ccc3c(c1)OCO3)C2 ZINC000096044903 508203810 /nfs/dbraw/zinc/20/38/10/508203810.db2.gz UTTFIKSOUMDHFP-MRXNPFEDSA-N 1 2 355.438 2.675 40 0 FFABLO Cc1cccnc1C[N@@H+]1CCN2C(=O)N(Cc3ccc(F)cc3)C[C@H]2C1 ZINC000077266711 508293307 /nfs/dbraw/zinc/29/33/07/508293307.db2.gz XVODWBBIAKPXIO-GOSISDBHSA-N 1 2 354.429 2.651 40 0 biogenic,in-vitro FFABLO Cc1cccnc1C[N@H+]1CCN2C(=O)N(Cc3ccc(F)cc3)C[C@H]2C1 ZINC000077266711 508293309 /nfs/dbraw/zinc/29/33/09/508293309.db2.gz XVODWBBIAKPXIO-GOSISDBHSA-N 1 2 354.429 2.651 40 0 biogenic,in-vitro FFABLO C[C@]12CCC(=O)N1[C@H]1CCCC[C@H]1[N@@H+]2Cc1ccnc(N2CCCC2)n1 ZINC000253591009 509899698 /nfs/dbraw/zinc/89/96/98/509899698.db2.gz MZVMLDYPOWALEQ-FUHIMQAGSA-N 1 2 355.486 2.542 40 0 FFABLO C[C@]12CCC(=O)N1[C@H]1CCCC[C@H]1[N@H+]2Cc1ccnc(N2CCCC2)n1 ZINC000253591009 509899705 /nfs/dbraw/zinc/89/97/05/509899705.db2.gz MZVMLDYPOWALEQ-FUHIMQAGSA-N 1 2 355.486 2.542 40 0 FFABLO O=C(NCC[C@H]1CCOC12C[NH+](Cc1ccccc1F)C2)c1ccncc1 ZINC000247476854 510862345 /nfs/dbraw/zinc/86/23/45/510862345.db2.gz HKYVWIZUFYEZIG-SFHVURJKSA-N 1 2 369.440 2.632 40 0 FFABLO COCC[N@@H+]1CCN(C(=O)c2csc(C3CCCCC3)n2)C[C@@H]1C ZINC000412121614 512969809 /nfs/dbraw/zinc/96/98/09/512969809.db2.gz MGKOSZWCBUTDTO-AWEZNQCLSA-N 1 2 351.516 2.984 40 0 FFABLO COCC[N@H+]1CCN(C(=O)c2csc(C3CCCCC3)n2)C[C@@H]1C ZINC000412121614 512969812 /nfs/dbraw/zinc/96/98/12/512969812.db2.gz MGKOSZWCBUTDTO-AWEZNQCLSA-N 1 2 351.516 2.984 40 0 FFABLO CC(=O)Nc1cccc(-c2c[nH+]c3n2CCN(C(=O)[C@@H]2C[C@@H]2C)CC3)c1 ZINC000585111579 518544627 /nfs/dbraw/zinc/54/46/27/518544627.db2.gz XBGYWXMUQLJLML-SUMWQHHRSA-N 1 2 352.438 2.549 40 0 FFABLO O=C(C=Cc1c[nH]c[nH+]1)N1CC[C@]2(CCCO2)[C@H](OCc2ccccc2)C1 ZINC000585291516 518557419 /nfs/dbraw/zinc/55/74/19/518557419.db2.gz PPRYFFRIMNTKFM-WKQNUPFUSA-N 1 2 367.449 2.790 40 0 FFABLO Cc1[nH+]cc(-c2cncc([C@@H]3CCCN(C(=O)c4ccccn4)C3)n2)n1C ZINC000257280319 534722715 /nfs/dbraw/zinc/72/27/15/534722715.db2.gz OKJOAGXWXNROGQ-OAHLLOKOSA-N 1 2 362.437 2.600 40 0 FFABLO CC(C)(C)OC(=O)N1C[C@@H]2C[C@@]3(C)[C@H](CCC[C@@H]13)N2C(=O)Cn1cc[nH+]c1 ZINC000257286108 526427908 /nfs/dbraw/zinc/42/79/08/526427908.db2.gz PKHSNGSXSAEHRL-KSVNGYGVSA-N 1 2 374.485 2.662 40 0 FFABLO CNC(=O)C[N@@H+]1CCC[C@H](c2nccnc2Oc2ccccc2Cl)C1 ZINC000257233478 529862614 /nfs/dbraw/zinc/86/26/14/529862614.db2.gz GPLWFZSGKIVXOU-ZDUSSCGKSA-N 1 2 360.845 2.848 40 0 FFABLO CNC(=O)C[N@H+]1CCC[C@H](c2nccnc2Oc2ccccc2Cl)C1 ZINC000257233478 529862615 /nfs/dbraw/zinc/86/26/15/529862615.db2.gz GPLWFZSGKIVXOU-ZDUSSCGKSA-N 1 2 360.845 2.848 40 0 FFABLO CCOC(=O)N1CC[NH+](C[C@H](O)COC2CCC(C(C)(C)C)CC2)CC1 ZINC000023586873 210159808 /nfs/dbraw/zinc/15/98/08/210159808.db2.gz MVHXDCKVSPFTDX-ADKAHSJRSA-N 1 2 370.534 2.743 40 0 FFABLO Cc1csc(CN2Cc3c[nH+]cn3[C@H](COCc3ccccn3)C2)n1 ZINC000306138279 210055277 /nfs/dbraw/zinc/05/52/77/210055277.db2.gz RUBGUVWLABVTNB-KRWDZBQOSA-N 1 2 355.467 2.817 40 0 FFABLO Cc1cn(C)c([C@@H]2CCCN(C(=O)CCn3ncc4ccccc43)C2)[nH+]1 ZINC000257243547 223034940 /nfs/dbraw/zinc/03/49/40/223034940.db2.gz IHMMBBFVJSTATK-QGZVFWFLSA-N 1 2 351.454 2.875 40 0 FFABLO CN(C)C(=O)c1sc2ncccc2c1[C@H]1CC[N@H+](Cc2nccn2C)C1 ZINC000257344908 223073607 /nfs/dbraw/zinc/07/36/07/223073607.db2.gz ZZDUAEAZUHKQHS-ZDUSSCGKSA-N 1 2 369.494 2.721 40 0 FFABLO CN(C)C(=O)c1sc2ncccc2c1[C@H]1CC[N@@H+](Cc2nccn2C)C1 ZINC000257344908 223073608 /nfs/dbraw/zinc/07/36/08/223073608.db2.gz ZZDUAEAZUHKQHS-ZDUSSCGKSA-N 1 2 369.494 2.721 40 0 FFABLO Cc1nc(-c2cccc(NC(=S)NCC[NH+]3CCOCC3)c2)cs1 ZINC000023103055 211376281 /nfs/dbraw/zinc/37/62/81/211376281.db2.gz DAZFPIAHZFIFAE-UHFFFAOYSA-N 1 2 362.524 2.737 40 0 FFABLO CC[C@H]1C(=O)NCCN1C(=O)CCCn1c2ccccc2[nH+]c1C(C)C ZINC000019718070 211249925 /nfs/dbraw/zinc/24/99/25/211249925.db2.gz NTEAETVGFRQVTE-INIZCTEOSA-N 1 2 356.470 2.677 40 0 FFABLO C[N@@H+]1CCCC[C@H]1c1nnc2n1CCN(C(=O)CC1CCCCC1)CC2 ZINC000019706115 211247239 /nfs/dbraw/zinc/24/72/39/211247239.db2.gz YMLUWAAYIAUIMZ-KRWDZBQOSA-N 1 2 359.518 2.790 40 0 FFABLO C[N@H+]1CCCC[C@H]1c1nnc2n1CCN(C(=O)CC1CCCCC1)CC2 ZINC000019706115 211247244 /nfs/dbraw/zinc/24/72/44/211247244.db2.gz YMLUWAAYIAUIMZ-KRWDZBQOSA-N 1 2 359.518 2.790 40 0 FFABLO Cc1cnc(C(=O)N2CCC[C@H]2c2ccc(-c3ccc(N)[nH+]c3)cn2)cn1 ZINC000019691756 211245702 /nfs/dbraw/zinc/24/57/02/211245702.db2.gz VVKREUYAGGKJOS-SFHVURJKSA-N 1 2 360.421 2.802 40 0 FFABLO COc1cc(C[N@H+]2CCc3c(=O)[nH]c(-c4cccnc4)nc3C2)ccc1O ZINC000019550087 211231326 /nfs/dbraw/zinc/23/13/26/211231326.db2.gz RPTZPEQMIOGPNB-UHFFFAOYSA-N 1 2 364.405 2.517 40 0 FFABLO COc1cc(C[N@@H+]2CCc3c(=O)[nH]c(-c4cccnc4)nc3C2)ccc1O ZINC000019550087 211231321 /nfs/dbraw/zinc/23/13/21/211231321.db2.gz RPTZPEQMIOGPNB-UHFFFAOYSA-N 1 2 364.405 2.517 40 0 FFABLO O=c1[nH]c(-c2ccccn2)nc2c1C[N@H+](Cc1cc(F)ccc1F)CC2 ZINC000019403165 211220337 /nfs/dbraw/zinc/22/03/37/211220337.db2.gz KMTNZHAOBYWUPA-UHFFFAOYSA-N 1 2 354.360 2.668 40 0 FFABLO O=c1[nH]c(-c2ccccn2)nc2c1C[N@@H+](Cc1cc(F)ccc1F)CC2 ZINC000019403165 211220341 /nfs/dbraw/zinc/22/03/41/211220341.db2.gz KMTNZHAOBYWUPA-UHFFFAOYSA-N 1 2 354.360 2.668 40 0 FFABLO Cc1cc2nc3c(c(=O)n2[nH]1)CC[N@H+](Cc1ccc2c(c1)C[C@@H](C)O2)CC3 ZINC000019130249 211203267 /nfs/dbraw/zinc/20/32/67/211203267.db2.gz YYAUKUOIRFXRMN-CQSZACIVSA-N 1 2 364.449 2.668 40 0 FFABLO Cc1cc2nc3c(c(=O)n2[nH]1)CC[N@@H+](Cc1ccc2c(c1)C[C@@H](C)O2)CC3 ZINC000019130249 211203273 /nfs/dbraw/zinc/20/32/73/211203273.db2.gz YYAUKUOIRFXRMN-CQSZACIVSA-N 1 2 364.449 2.668 40 0 FFABLO CC(=O)N1CCc2nc([C@@H]3CCCC[N@@H+]3Cc3ccncc3)ncc2C1 ZINC000019018303 211199793 /nfs/dbraw/zinc/19/97/93/211199793.db2.gz RWWDCYBBTODYCI-IBGZPJMESA-N 1 2 351.454 2.503 40 0 FFABLO CC(=O)N1CCc2nc([C@@H]3CCCC[N@H+]3Cc3ccncc3)ncc2C1 ZINC000019018303 211199800 /nfs/dbraw/zinc/19/98/00/211199800.db2.gz RWWDCYBBTODYCI-IBGZPJMESA-N 1 2 351.454 2.503 40 0 FFABLO Cc1ccc(COc2ccc(C(=S)N3CC[NH+](CCO)CC3)cc2)cc1 ZINC000013547512 211039656 /nfs/dbraw/zinc/03/96/56/211039656.db2.gz MVCYNHUXLXSEFT-UHFFFAOYSA-N 1 2 370.518 2.859 40 0 FFABLO CCOc1ccccc1NC(=O)C[N@H+]1[C@@H](C(=O)OC)C[C@H]2CCCC[C@@H]21 ZINC000041624143 220932690 /nfs/dbraw/zinc/93/26/90/220932690.db2.gz KULDFDXSWYKLOP-HYVNUMGLSA-N 1 2 360.454 2.830 40 0 FFABLO CCOc1ccccc1NC(=O)C[N@@H+]1[C@@H](C(=O)OC)C[C@H]2CCCC[C@@H]21 ZINC000041624143 220932693 /nfs/dbraw/zinc/93/26/93/220932693.db2.gz KULDFDXSWYKLOP-HYVNUMGLSA-N 1 2 360.454 2.830 40 0 FFABLO CCc1ccc(NC(=O)Nc2c[nH+]c(N3CCOCC3)nc2N(C)C)cc1 ZINC000224147858 132281709 /nfs/dbraw/zinc/28/17/09/132281709.db2.gz CSNIVGLDEIESIG-UHFFFAOYSA-N 1 2 370.457 2.586 40 0 FFABLO C[C@H](CO)Nc1cc(N2CCc3ccc(OC(F)(F)F)cc3C2)nc[nH+]1 ZINC000328955842 132371836 /nfs/dbraw/zinc/37/18/36/132371836.db2.gz ACVFTYBURMGLCU-LLVKDONJSA-N 1 2 368.359 2.731 40 0 FFABLO C[C@H](CO)Nc1cc(N2CCc3ccc(OC(F)(F)F)cc3C2)[nH+]cn1 ZINC000328955842 132371837 /nfs/dbraw/zinc/37/18/37/132371837.db2.gz ACVFTYBURMGLCU-LLVKDONJSA-N 1 2 368.359 2.731 40 0 FFABLO CN(C)c1nc(N2CCCC2)[nH+]c2c1CN(C(=O)NC1CCCCC1)CC2 ZINC000096058572 222006482 /nfs/dbraw/zinc/00/64/82/222006482.db2.gz NVOLGIRAFWXFMS-UHFFFAOYSA-N 1 2 372.517 2.543 40 0 FFABLO CCCc1ccc(C(=O)N2CCCn3nnc(Cn4cc[nH+]c4)c3C2)cc1 ZINC000096259529 222103809 /nfs/dbraw/zinc/10/38/09/222103809.db2.gz MTKSWAZIVVGIKC-UHFFFAOYSA-N 1 2 364.453 2.522 40 0 FFABLO Cc1nc(CN2Cc3c[nH+]cn3C[C@@H](COc3ccccn3)C2)cs1 ZINC000096208012 222077726 /nfs/dbraw/zinc/07/77/26/222077726.db2.gz PHBCXYQVQSPNLI-HNNXBMFYSA-N 1 2 355.467 2.754 40 0 FFABLO Cc1cc(C(=O)N2C[C@@H]3COC[C@]3(CNc3cccc[nH+]3)C2)sc1C ZINC000096209604 222079507 /nfs/dbraw/zinc/07/95/07/222079507.db2.gz YCPDCYXMEDTAOD-BEFAXECRSA-N 1 2 357.479 2.961 40 0 FFABLO Cc1nc(C[N@@H+]2CCC[C@]3(C2)COCCN(Cc2ccccn2)C3)cs1 ZINC000096229308 222091145 /nfs/dbraw/zinc/09/11/45/222091145.db2.gz ODCCHNZFEYSLPQ-HXUWFJFHSA-N 1 2 372.538 2.961 40 0 FFABLO Cc1nc(C[N@H+]2CCC[C@]3(C2)COCCN(Cc2ccccn2)C3)cs1 ZINC000096229308 222091150 /nfs/dbraw/zinc/09/11/50/222091150.db2.gz ODCCHNZFEYSLPQ-HXUWFJFHSA-N 1 2 372.538 2.961 40 0 FFABLO O=C(c1ccc(Cn2ccnc2)cc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000038850807 506446720 /nfs/dbraw/zinc/44/67/20/506446720.db2.gz SPPMWSZWHBFPAY-UHFFFAOYSA-N 1 2 360.461 2.889 40 0 FFABLO Cn1cc[nH+]c1[C@H](NC(=O)Cc1ccc(O)cc1)c1ccc(F)c(F)c1 ZINC000012115028 506817819 /nfs/dbraw/zinc/81/78/19/506817819.db2.gz FDUYXLQTIRRUAQ-GOSISDBHSA-N 1 2 357.360 2.852 40 0 FFABLO O=C(c1ccc(F)c(F)c1)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000025133869 507469394 /nfs/dbraw/zinc/46/93/94/507469394.db2.gz KUFAJCPFMBHEPM-UHFFFAOYSA-N 1 2 360.360 2.652 40 0 FFABLO Cc1cccc(C[N@@H+]2CCN3C(=O)N(Cc4ccc(F)cc4)C[C@H]3C2)n1 ZINC000077266715 508293453 /nfs/dbraw/zinc/29/34/53/508293453.db2.gz ZOTWNIPFZZRFBZ-LJQANCHMSA-N 1 2 354.429 2.651 40 0 biogenic,in-vitro FFABLO Cc1cccc(C[N@H+]2CCN3C(=O)N(Cc4ccc(F)cc4)C[C@H]3C2)n1 ZINC000077266715 508293456 /nfs/dbraw/zinc/29/34/56/508293456.db2.gz ZOTWNIPFZZRFBZ-LJQANCHMSA-N 1 2 354.429 2.651 40 0 biogenic,in-vitro FFABLO COc1cccc(C[NH+]2CC3(C2)OCC[C@@H]3CCNc2ncc(C)cn2)c1 ZINC000253600199 509901602 /nfs/dbraw/zinc/90/16/02/509901602.db2.gz HVFSBRCYHKFBQJ-SFHVURJKSA-N 1 2 368.481 2.887 40 0 FFABLO Cc1cncc(OCC[C@@H]2CCOC3(C[NH+](Cc4ccccn4)C3)C2)n1 ZINC000253601658 509903040 /nfs/dbraw/zinc/90/30/40/509903040.db2.gz VMZWRRVGSSEKLU-QGZVFWFLSA-N 1 2 354.454 2.630 40 0 FFABLO CCOCc1cc(C[NH+]2CCC(S(=O)(=O)CC)CC2)ccc1OC ZINC000195156776 510692117 /nfs/dbraw/zinc/69/21/17/510692117.db2.gz ZMAIVAWCMNTWEY-UHFFFAOYSA-N 1 2 355.500 2.631 40 0 FFABLO CCN(CC)C(=O)[C@@H]1CCCN(C(=O)Nc2ccc3c(c2)[nH+]c(C)n3C)C1 ZINC000409149131 513099455 /nfs/dbraw/zinc/09/94/55/513099455.db2.gz XVZUOCLVLOPVIC-OAHLLOKOSA-N 1 2 371.485 2.994 40 0 FFABLO Cc1cc2nc(C3CC[NH+](Cc4nccn4C(C)C)CC3)cc(=O)n2[nH]1 ZINC000257299847 534132949 /nfs/dbraw/zinc/13/29/49/534132949.db2.gz RRWDDKOEVLHDQH-UHFFFAOYSA-N 1 2 354.458 2.900 40 0 FFABLO CCOC[C@H]1CCn2c[nH+]cc2CN1C(=O)c1ccc2ccccc2n1 ZINC000585097058 518534169 /nfs/dbraw/zinc/53/41/69/518534169.db2.gz GZZKMSCKVVSJLM-MRXNPFEDSA-N 1 2 350.422 2.883 40 0 FFABLO Cc1cc(CN2CCn3c(CCOc4ccccn4)c[nH+]c3[C@@H]2C)no1 ZINC000585098695 518534506 /nfs/dbraw/zinc/53/45/06/518534506.db2.gz XLWXWEMOINDWSH-HNNXBMFYSA-N 1 2 353.426 2.773 40 0 FFABLO O=C(NCC[C@@H]1C[N@H+](Cc2cccs2)Cc2ccnn21)N1CCCC1 ZINC000585112667 518545965 /nfs/dbraw/zinc/54/59/65/518545965.db2.gz UWKSCKPFXFVFQC-OAHLLOKOSA-N 1 2 359.499 2.697 40 0 FFABLO O=C(NCC[C@@H]1C[N@@H+](Cc2cccs2)Cc2ccnn21)N1CCCC1 ZINC000585112667 518545972 /nfs/dbraw/zinc/54/59/72/518545972.db2.gz UWKSCKPFXFVFQC-OAHLLOKOSA-N 1 2 359.499 2.697 40 0 FFABLO CCc1nnc(Nc2cc(C)nc([C@@H]3CC[N@H+](Cc4ncc[nH]4)C3)n2)s1 ZINC000072382602 571188450 /nfs/dbraw/zinc/18/84/50/571188450.db2.gz JCXBILUTRDNTGC-GFCCVEGCSA-N 1 2 370.486 2.655 40 0 FFABLO CCc1nnc(Nc2cc(C)nc([C@@H]3CC[N@@H+](Cc4ncc[nH]4)C3)n2)s1 ZINC000072382602 571188451 /nfs/dbraw/zinc/18/84/51/571188451.db2.gz JCXBILUTRDNTGC-GFCCVEGCSA-N 1 2 370.486 2.655 40 0 FFABLO Cn1nccc1C(=O)N1CC[C@@]2(Cc3[nH+]cc(-c4ccc(F)cc4)n3C2)C1 ZINC000306133057 210053647 /nfs/dbraw/zinc/05/36/47/210053647.db2.gz MAJCTGKLJNLARR-HXUWFJFHSA-N 1 2 365.412 2.511 40 0 FFABLO c1cncc(C[N@@H+]2CCO[C@H](c3nnn4cc(-c5ccncc5)ccc34)C2)c1 ZINC000306135373 210052722 /nfs/dbraw/zinc/05/27/22/210052722.db2.gz OPDITLFMLULJCM-FQEVSTJZSA-N 1 2 372.432 2.760 40 0 FFABLO c1cncc(C[N@H+]2CCO[C@H](c3nnn4cc(-c5ccncc5)ccc34)C2)c1 ZINC000306135373 210052727 /nfs/dbraw/zinc/05/27/27/210052727.db2.gz OPDITLFMLULJCM-FQEVSTJZSA-N 1 2 372.432 2.760 40 0 FFABLO Cc1cc(C)nc(Nc2nccnc2[C@H]2CCCN2Cc2cn(C)c[nH+]2)n1 ZINC000257231611 223030994 /nfs/dbraw/zinc/03/09/94/223030994.db2.gz GHLGRTCTPWFCBU-MRXNPFEDSA-N 1 2 364.457 2.698 40 0 FFABLO Cc1csc(Nc2cccc([C@@H]3C[N@H+](Cc4cnn(C)c4)CCO3)n2)n1 ZINC000257300033 223056919 /nfs/dbraw/zinc/05/69/19/223056919.db2.gz RSPYPSZQCXPXMD-INIZCTEOSA-N 1 2 370.482 2.897 40 0 FFABLO Cc1csc(Nc2cccc([C@@H]3C[N@@H+](Cc4cnn(C)c4)CCO3)n2)n1 ZINC000257300033 223056921 /nfs/dbraw/zinc/05/69/21/223056921.db2.gz RSPYPSZQCXPXMD-INIZCTEOSA-N 1 2 370.482 2.897 40 0 FFABLO Cn1c[nH+]cc1CN1CCC[C@H]1c1cccc(C(=O)Nc2nccs2)n1 ZINC000257344366 223073112 /nfs/dbraw/zinc/07/31/12/223073112.db2.gz ZWXDBOGVUUQYME-INIZCTEOSA-N 1 2 368.466 2.861 40 0 FFABLO C[N@@H+]1CCCC[C@@H]1c1ncc2c(n1)CCN(C(=O)Cc1ccccc1F)C2 ZINC000019588928 211238549 /nfs/dbraw/zinc/23/85/49/211238549.db2.gz SZVOPTHXKASLRD-LJQANCHMSA-N 1 2 368.456 2.900 40 0 FFABLO C[N@H+]1CCCC[C@@H]1c1ncc2c(n1)CCN(C(=O)Cc1ccccc1F)C2 ZINC000019588928 211238554 /nfs/dbraw/zinc/23/85/54/211238554.db2.gz SZVOPTHXKASLRD-LJQANCHMSA-N 1 2 368.456 2.900 40 0 FFABLO CCn1cc(-c2cc(C(=O)N[C@@H](Cn3cc[nH+]c3)C(C)(C)C)no2)cn1 ZINC000019665275 211244776 /nfs/dbraw/zinc/24/47/76/211244776.db2.gz YTYOBOAAIWIDSP-INIZCTEOSA-N 1 2 356.430 2.599 40 0 FFABLO Cc1[nH+]c2ccccc2n1C[C@H](C)C(=O)NCCSc1nccn1C ZINC000019286738 211210927 /nfs/dbraw/zinc/21/09/27/211210927.db2.gz IEJOJOKTPAOBMN-ZDUSSCGKSA-N 1 2 357.483 2.623 40 0 FFABLO O=C(Cn1cc[nH+]c1)N[C@@H](Cc1ccccc1)c1ccc2c(c1)OCCO2 ZINC000019370510 211219628 /nfs/dbraw/zinc/21/96/28/211219628.db2.gz BRGIXPPINWNTBZ-SFHVURJKSA-N 1 2 363.417 2.755 40 0 FFABLO CC(=O)N1CC[C@@H](c2ncc3c(n2)CC[N@@H+](Cc2cccc(F)c2)C3)C1 ZINC000019016694 211199458 /nfs/dbraw/zinc/19/94/58/211199458.db2.gz WHFNXZGAUSEJBG-MRXNPFEDSA-N 1 2 354.429 2.510 40 0 FFABLO CC(=O)N1CC[C@@H](c2ncc3c(n2)CC[N@H+](Cc2cccc(F)c2)C3)C1 ZINC000019016694 211199461 /nfs/dbraw/zinc/19/94/61/211199461.db2.gz WHFNXZGAUSEJBG-MRXNPFEDSA-N 1 2 354.429 2.510 40 0 FFABLO CNc1cc([C@H]2CCCN2S(=O)(=O)c2ccc(F)c(F)c2)cc[nH+]1 ZINC000257214678 533054268 /nfs/dbraw/zinc/05/42/68/533054268.db2.gz CNADYFKMEBAIOD-OAHLLOKOSA-N 1 2 353.394 2.927 40 0 FFABLO CN(C)c1nc(N2CCCCC2)[nH+]cc1NC(=O)COc1ccccc1 ZINC000224356061 132283150 /nfs/dbraw/zinc/28/31/50/132283150.db2.gz AJLSMZMZIBOTAP-UHFFFAOYSA-N 1 2 355.442 2.550 40 0 FFABLO C[C@]1(c2ncc(C[NH+]3CCN(c4ccccn4)CC3)cn2)CCCCO1 ZINC000257264587 132295807 /nfs/dbraw/zinc/29/58/07/132295807.db2.gz LVDGVDNUNUQGOB-HXUWFJFHSA-N 1 2 353.470 2.610 40 0 FFABLO OCCCNc1cc(N2CCc3ccc(OC(F)(F)F)cc3C2)nc[nH+]1 ZINC000329036019 132372821 /nfs/dbraw/zinc/37/28/21/132372821.db2.gz RHJKQFDPNPVACP-UHFFFAOYSA-N 1 2 368.359 2.732 40 0 FFABLO OCCCNc1cc(N2CCc3ccc(OC(F)(F)F)cc3C2)[nH+]cn1 ZINC000329036019 132372822 /nfs/dbraw/zinc/37/28/22/132372822.db2.gz RHJKQFDPNPVACP-UHFFFAOYSA-N 1 2 368.359 2.732 40 0 FFABLO FC1(F)CC[N@H+](Cc2nccs2)C[C@@]12CCN(c1ncccn1)C2 ZINC000096051168 222000727 /nfs/dbraw/zinc/00/07/27/222000727.db2.gz RGSWEVFQKFDSCM-OAHLLOKOSA-N 1 2 351.426 2.671 40 0 FFABLO FC1(F)CC[N@@H+](Cc2nccs2)C[C@@]12CCN(c1ncccn1)C2 ZINC000096051168 222000730 /nfs/dbraw/zinc/00/07/30/222000730.db2.gz RGSWEVFQKFDSCM-OAHLLOKOSA-N 1 2 351.426 2.671 40 0 FFABLO O=C(c1cccnc1)N1CCC(F)(F)[C@@]2(CCN(c3cccc[nH+]3)C2)C1 ZINC000096239616 222095241 /nfs/dbraw/zinc/09/52/41/222095241.db2.gz VJZUKKDCCUINHH-GOSISDBHSA-N 1 2 358.392 2.855 40 0 FFABLO COc1cccc([C@@H](NC(=O)c2cccnc2C)c2[nH+]ccn2C)c1OC ZINC000012114979 506816790 /nfs/dbraw/zinc/81/67/90/506816790.db2.gz OUPDLIYWHWYBIF-QGZVFWFLSA-N 1 2 366.421 2.660 40 0 FFABLO COc1cc2c(cc1O)CC[N@H+](Cc1ccnc(N3CCCC3)n1)[C@H]2C ZINC000012240778 506840692 /nfs/dbraw/zinc/84/06/92/506840692.db2.gz DIKYUMSUTVWVGG-AWEZNQCLSA-N 1 2 354.454 2.910 40 0 FFABLO COc1cc2c(cc1O)CC[N@@H+](Cc1ccnc(N3CCCC3)n1)[C@H]2C ZINC000012240778 506840701 /nfs/dbraw/zinc/84/07/01/506840701.db2.gz DIKYUMSUTVWVGG-AWEZNQCLSA-N 1 2 354.454 2.910 40 0 FFABLO COc1ccc(CCCNC(=O)c2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC000044907118 506900505 /nfs/dbraw/zinc/90/05/05/506900505.db2.gz DEMVBQXLICTPJP-UHFFFAOYSA-N 1 2 368.477 2.890 40 0 FFABLO O=C(Cc1ccc(F)cc1)N1CCC(c2cncc(-n3cc[nH+]c3)n2)CC1 ZINC000072355369 507779385 /nfs/dbraw/zinc/77/93/85/507779385.db2.gz GTEMLLPXMDSMKW-UHFFFAOYSA-N 1 2 365.412 2.750 40 0 FFABLO C[C@]12CCC(=O)N1[C@H]1CCCC[C@@H]1[N@@H+]2Cc1ccnc(N2CCCC2)n1 ZINC000072348150 507779491 /nfs/dbraw/zinc/77/94/91/507779491.db2.gz MZVMLDYPOWALEQ-ABSDTBQOSA-N 1 2 355.486 2.542 40 0 FFABLO C[C@]12CCC(=O)N1[C@H]1CCCC[C@@H]1[N@H+]2Cc1ccnc(N2CCCC2)n1 ZINC000072348150 507779494 /nfs/dbraw/zinc/77/94/94/507779494.db2.gz MZVMLDYPOWALEQ-ABSDTBQOSA-N 1 2 355.486 2.542 40 0 FFABLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(C(=O)N(C)C)CC2 ZINC000096037049 508203097 /nfs/dbraw/zinc/20/30/97/508203097.db2.gz PONQYONBQOSQFT-UHFFFAOYSA-N 1 2 367.497 2.858 40 0 FFABLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(C(=O)N(C)C)CC2 ZINC000096037049 508203100 /nfs/dbraw/zinc/20/31/00/508203100.db2.gz PONQYONBQOSQFT-UHFFFAOYSA-N 1 2 367.497 2.858 40 0 FFABLO Cc1ncc2c(n1)[C@]1(CC[N@H+](Cc3cc(F)c(O)c(Cl)c3)C1)COC2 ZINC000247940952 509195822 /nfs/dbraw/zinc/19/58/22/509195822.db2.gz GLPXVHPIQPDZOZ-SFHVURJKSA-N 1 2 363.820 2.957 40 0 FFABLO Cc1ncc2c(n1)[C@]1(CC[N@@H+](Cc3cc(F)c(O)c(Cl)c3)C1)COC2 ZINC000247940952 509195832 /nfs/dbraw/zinc/19/58/32/509195832.db2.gz GLPXVHPIQPDZOZ-SFHVURJKSA-N 1 2 363.820 2.957 40 0 FFABLO CCOc1ccc(CNC(=O)c2cccc(C[NH+]3CCOCC3)c2)cc1 ZINC000216420614 509260822 /nfs/dbraw/zinc/26/08/22/509260822.db2.gz DHBQDLXOWQYQKZ-UHFFFAOYSA-N 1 2 354.450 2.848 40 0 FFABLO Cc1ncsc1C[NH+]1CC2(C1)OCC[C@@H]2CCNc1ncc(C)cn1 ZINC000253600344 509900497 /nfs/dbraw/zinc/90/04/97/509900497.db2.gz LHNKNKZDOBJBSP-HNNXBMFYSA-N 1 2 359.499 2.643 40 0 FFABLO COC(=O)c1c2c(sc1NC(=O)c1cccc(OC)c1)C[N@@H+](C)CC2 ZINC000408562778 513087290 /nfs/dbraw/zinc/08/72/90/513087290.db2.gz BXRQVIVPGBNICW-UHFFFAOYSA-N 1 2 360.435 2.784 40 0 FFABLO COC(=O)c1c2c(sc1NC(=O)c1cccc(OC)c1)C[N@H+](C)CC2 ZINC000408562778 513087293 /nfs/dbraw/zinc/08/72/93/513087293.db2.gz BXRQVIVPGBNICW-UHFFFAOYSA-N 1 2 360.435 2.784 40 0 FFABLO CCOCCc1c[nH+]c2n1CCN(C(=O)COc1ccccc1C)[C@H]2C ZINC000585098246 518534481 /nfs/dbraw/zinc/53/44/81/518534481.db2.gz SMQROTJGKWKFHY-INIZCTEOSA-N 1 2 357.454 2.753 40 0 FFABLO COc1ncccc1CN1CCn2c(CCOCC3CC3)c[nH+]c2[C@@H]1C ZINC000585097966 518534856 /nfs/dbraw/zinc/53/48/56/518534856.db2.gz PVKKMNFQRHFXMV-HNNXBMFYSA-N 1 2 356.470 2.833 40 0 FFABLO CC1CCC(C(=O)N2CCc3[nH+]cc(CNC(=O)CC4CC4)n3CC2)CC1 ZINC000585110646 518542113 /nfs/dbraw/zinc/54/21/13/518542113.db2.gz ROQQDOSRYFCNIJ-UHFFFAOYSA-N 1 2 372.513 2.510 40 0 FFABLO Cc1ccc(C[N@H+]2Cc3ccnn3[C@@H](CNC(=O)N3CCCC3)C2)s1 ZINC000585112496 518543526 /nfs/dbraw/zinc/54/35/26/518543526.db2.gz QDOSEIZKGBCSBA-INIZCTEOSA-N 1 2 359.499 2.615 40 0 FFABLO Cc1ccc(C[N@@H+]2Cc3ccnn3[C@@H](CNC(=O)N3CCCC3)C2)s1 ZINC000585112496 518543532 /nfs/dbraw/zinc/54/35/32/518543532.db2.gz QDOSEIZKGBCSBA-INIZCTEOSA-N 1 2 359.499 2.615 40 0 FFABLO O=C(NCC[C@H]1C[N@H+](Cc2cccs2)Cc2ccnn21)c1cscn1 ZINC000585112460 518543563 /nfs/dbraw/zinc/54/35/63/518543563.db2.gz QZQJDJLGTKCLLP-ZDUSSCGKSA-N 1 2 373.507 2.778 40 0 FFABLO O=C(NCC[C@H]1C[N@@H+](Cc2cccs2)Cc2ccnn21)c1cscn1 ZINC000585112460 518543572 /nfs/dbraw/zinc/54/35/72/518543572.db2.gz QZQJDJLGTKCLLP-ZDUSSCGKSA-N 1 2 373.507 2.778 40 0 FFABLO Cn1cccc1C(=O)NCC[C@@H]1C[N@H+](Cc2ccsc2)Cc2ccnn21 ZINC000585112275 518543632 /nfs/dbraw/zinc/54/36/32/518543632.db2.gz MINWBNBOBISDCU-MRXNPFEDSA-N 1 2 369.494 2.660 40 0 FFABLO Cn1cccc1C(=O)NCC[C@@H]1C[N@@H+](Cc2ccsc2)Cc2ccnn21 ZINC000585112275 518543637 /nfs/dbraw/zinc/54/36/37/518543637.db2.gz MINWBNBOBISDCU-MRXNPFEDSA-N 1 2 369.494 2.660 40 0 FFABLO COc1cc(OC)cc(OCC(=O)NCc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000020460100 522870092 /nfs/dbraw/zinc/87/00/92/522870092.db2.gz TZPJTDDPHMHRSK-UHFFFAOYSA-N 1 2 367.405 2.585 40 0 FFABLO COCCCN1C(=O)CCc2c(C)nc(C[N@H+](C)Cc3ccccc3)nc21 ZINC000072370974 536541151 /nfs/dbraw/zinc/54/11/51/536541151.db2.gz SCMMVGJVJPHPHY-UHFFFAOYSA-N 1 2 368.481 2.733 40 0 FFABLO COCCCN1C(=O)CCc2c(C)nc(C[N@@H+](C)Cc3ccccc3)nc21 ZINC000072370974 536541155 /nfs/dbraw/zinc/54/11/55/536541155.db2.gz SCMMVGJVJPHPHY-UHFFFAOYSA-N 1 2 368.481 2.733 40 0 FFABLO O=C([O-])C[C@@H]1CC[N@@H+](C2CCOCC2)C[C@@H]1Cc1[nH]c2ccccc2[nH+]1 ZINC000514288546 560034582 /nfs/dbraw/zinc/03/45/82/560034582.db2.gz CIEXWVZQAWOCGE-GJZGRUSLSA-N 1 2 357.454 2.697 40 0 biogenic,in-vitro FFABLO O=C([O-])C[C@@H]1CC[N@H+](C2CCOCC2)C[C@@H]1Cc1[nH]c2ccccc2[nH+]1 ZINC000514288546 560034583 /nfs/dbraw/zinc/03/45/83/560034583.db2.gz CIEXWVZQAWOCGE-GJZGRUSLSA-N 1 2 357.454 2.697 40 0 biogenic,in-vitro FFABLO CC(C)[C@@H](CO)Nc1nc(NC[C@@H]2CCCO2)cc(-c2ccccc2)[nH+]1 ZINC000328955347 571129788 /nfs/dbraw/zinc/12/97/88/571129788.db2.gz ACGLCHKMLCZZOR-FUHWJXTLSA-N 1 2 356.470 3.163 40 0 FFABLO O=C1N(c2cccnc2)CC[C@]12C[N@@H+](Cc1cccnc1)CC(F)(F)C2 ZINC000585093078 571219045 /nfs/dbraw/zinc/21/90/45/571219045.db2.gz AJBRMDUOVPXPEN-SFHVURJKSA-N 1 2 358.392 2.741 40 0 FFABLO O=C1N(c2cccnc2)CC[C@]12C[N@H+](Cc1cccnc1)CC(F)(F)C2 ZINC000585093078 571219048 /nfs/dbraw/zinc/21/90/48/571219048.db2.gz AJBRMDUOVPXPEN-SFHVURJKSA-N 1 2 358.392 2.741 40 0 FFABLO C[C@H](CO)Nc1nc(NCc2cc(F)cc(F)c2)cc(-c2ccccc2)[nH+]1 ZINC000329058965 210133557 /nfs/dbraw/zinc/13/35/57/210133557.db2.gz WECRXEPSWSVEGL-CYBMUJFWSA-N 1 2 370.403 2.670 40 0 FFABLO CC[C@H](C)Nc1nc(Nc2ccc(C(=O)OC)c(OC)c2)cc(C2CC2)[nH+]1 ZINC000329045931 210133246 /nfs/dbraw/zinc/13/32/46/210133246.db2.gz TXMRBMAGGVTIPH-LBPRGKRZSA-N 1 2 370.453 2.947 40 0 FFABLO OCCCNc1nc(Nc2cc(F)ccc2F)cc(-c2ccccc2)[nH+]1 ZINC000328990350 210129698 /nfs/dbraw/zinc/12/96/98/210129698.db2.gz IOEADUPKRHSBTP-UHFFFAOYSA-N 1 2 356.376 2.804 40 0 FFABLO Cc1noc(C)c1-c1cccc(C[C@H]2CCN(C(=O)Cn3cc[nH+]c3)C2)n1 ZINC000257209124 223019737 /nfs/dbraw/zinc/01/97/37/223019737.db2.gz BPDICPLKSGMVNV-MRXNPFEDSA-N 1 2 365.437 2.641 40 0 FFABLO Cc1ncc(C[N@@H+]2CCO[C@@H](c3ccc(Nc4ncccn4)cn3)C2)s1 ZINC000257222910 223027110 /nfs/dbraw/zinc/02/71/10/223027110.db2.gz DVCWDXZMVAZHFA-QGZVFWFLSA-N 1 2 368.466 2.954 40 0 FFABLO Cc1ncc(C[N@H+]2CCO[C@@H](c3ccc(Nc4ncccn4)cn3)C2)s1 ZINC000257222910 223027113 /nfs/dbraw/zinc/02/71/13/223027113.db2.gz DVCWDXZMVAZHFA-QGZVFWFLSA-N 1 2 368.466 2.954 40 0 FFABLO Cc1nc(Nc2ncccn2)cc([C@@H]2CCCCN2Cc2[nH+]ccn2C)n1 ZINC000257254149 223038327 /nfs/dbraw/zinc/03/83/27/223038327.db2.gz KBWHVVOGKQAPIJ-INIZCTEOSA-N 1 2 364.457 2.779 40 0 FFABLO COc1ccccc1[C@@H]1Cn2cc[nH+]c2CN1C(=O)c1c(C)noc1C ZINC000257256486 223040217 /nfs/dbraw/zinc/04/02/17/223040217.db2.gz KLRPNNWBWVJSCK-HNNXBMFYSA-N 1 2 352.394 2.894 40 0 FFABLO CN(C)C(=O)c1sc2ncccc2c1[C@@H]1CC[N@H+](Cc2ncc[nH]2)C1 ZINC000257288066 223051494 /nfs/dbraw/zinc/05/14/94/223051494.db2.gz PSQRZURMQAUURU-GFCCVEGCSA-N 1 2 355.467 2.711 40 0 FFABLO CN(C)C(=O)c1sc2ncccc2c1[C@@H]1CC[N@@H+](Cc2ncc[nH]2)C1 ZINC000257288066 223051498 /nfs/dbraw/zinc/05/14/98/223051498.db2.gz PSQRZURMQAUURU-GFCCVEGCSA-N 1 2 355.467 2.711 40 0 FFABLO COc1ccccc1[C@@H]1Cn2c(C)c[nH+]c2CN1C(=O)C1CCOCC1 ZINC000257296894 223055073 /nfs/dbraw/zinc/05/50/73/223055073.db2.gz REWRVFQJJKAVBL-KRWDZBQOSA-N 1 2 355.438 2.710 40 0 FFABLO CCc1nnc(Nc2cnc([C@@H]3CCC[N@H+](Cc4cc[nH]n4)C3)cn2)s1 ZINC000257333922 223070034 /nfs/dbraw/zinc/07/00/34/223070034.db2.gz YDRLKTLOXKNANR-GFCCVEGCSA-N 1 2 370.486 2.737 40 0 FFABLO CCc1nnc(Nc2cnc([C@@H]3CCC[N@@H+](Cc4cc[nH]n4)C3)cn2)s1 ZINC000257333922 223070035 /nfs/dbraw/zinc/07/00/35/223070035.db2.gz YDRLKTLOXKNANR-GFCCVEGCSA-N 1 2 370.486 2.737 40 0 FFABLO COc1cccc(F)c1C[N@@H+]1CCC[C@@H]1c1cncc(CNC(C)=O)n1 ZINC000257333167 223069784 /nfs/dbraw/zinc/06/97/84/223069784.db2.gz YALUXZWEIFIQJE-GOSISDBHSA-N 1 2 358.417 2.598 40 0 FFABLO COc1cccc(F)c1C[N@H+]1CCC[C@@H]1c1cncc(CNC(C)=O)n1 ZINC000257333167 223069785 /nfs/dbraw/zinc/06/97/85/223069785.db2.gz YALUXZWEIFIQJE-GOSISDBHSA-N 1 2 358.417 2.598 40 0 FFABLO Cc1nc(Nc2cnccn2)cc([C@H]2CCCCN2Cc2[nH]cc[nH+]2)n1 ZINC000257341127 223072345 /nfs/dbraw/zinc/07/23/45/223072345.db2.gz ZIXDQLKIIQMRSD-OAHLLOKOSA-N 1 2 350.430 2.769 40 0 FFABLO COc1cc([C@H]2CN(C(=O)OC(C)(C)C)CC[NH2+]2)cc(OC)c1OC ZINC000022113693 211339921 /nfs/dbraw/zinc/33/99/21/211339921.db2.gz KKHSBESKMJAZDS-CYBMUJFWSA-N 1 2 352.431 2.594 40 0 FFABLO CCn1cc(-c2c[nH+]cn2[C@@H]2CC(=O)N(c3ccc(OC)cc3)C2)cn1 ZINC000019719584 211250684 /nfs/dbraw/zinc/25/06/84/211250684.db2.gz ZDWFYFQOTLEVQZ-MRXNPFEDSA-N 1 2 351.410 2.753 40 0 FFABLO CC(C)c1cc(C(=O)N2CCc3nc([C@@H]4CCCC[N@@H+]4C)ncc3C2)[nH]n1 ZINC000019451889 211224220 /nfs/dbraw/zinc/22/42/20/211224220.db2.gz ODDCNXKQAUMADE-SFHVURJKSA-N 1 2 368.485 2.678 40 0 FFABLO CC(C)c1cc(C(=O)N2CCc3nc([C@@H]4CCCC[N@H+]4C)ncc3C2)[nH]n1 ZINC000019451889 211224226 /nfs/dbraw/zinc/22/42/26/211224226.db2.gz ODDCNXKQAUMADE-SFHVURJKSA-N 1 2 368.485 2.678 40 0 FFABLO Cc1nc(C)n(CC(=O)N2CCC[C@H](c3[nH+]c(C)n4c(C)csc34)C2)n1 ZINC000019240428 211212804 /nfs/dbraw/zinc/21/28/04/211212804.db2.gz KLSXMCXXFDVXEK-HNNXBMFYSA-N 1 2 372.498 2.627 40 0 FFABLO CC(=O)N1CCC[C@@H](c2ncc3c(n2)CC[N@@H+](Cc2cccc(F)c2)C3)C1 ZINC000019017123 211200444 /nfs/dbraw/zinc/20/04/44/211200444.db2.gz PVIJAEAMDVCZGI-QGZVFWFLSA-N 1 2 368.456 2.900 40 0 FFABLO CC(=O)N1CCC[C@@H](c2ncc3c(n2)CC[N@H+](Cc2cccc(F)c2)C3)C1 ZINC000019017123 211200450 /nfs/dbraw/zinc/20/04/50/211200450.db2.gz PVIJAEAMDVCZGI-QGZVFWFLSA-N 1 2 368.456 2.900 40 0 FFABLO CNc1cc([C@@H]2CCCN(C(=O)CCc3nnc(C(C)C)o3)C2)cc[nH+]1 ZINC000257272090 533052269 /nfs/dbraw/zinc/05/22/69/533052269.db2.gz NBADBXBKIAKPBL-OAHLLOKOSA-N 1 2 357.458 2.969 40 0 FFABLO Cn1cc[nH+]c1[C@@H]1CCN(S(=O)(=O)c2cc(Cl)sc2Cl)C1 ZINC000328747460 258119825 /nfs/dbraw/zinc/11/98/25/258119825.db2.gz BAGGIUZGVOVIDE-MRVPVSSYSA-N 1 2 366.295 2.967 40 0 FFABLO Cc1cc(C)cc(NC(=O)Nc2c[nH+]c(N3CCOCC3)nc2N(C)C)c1 ZINC000224148584 132281797 /nfs/dbraw/zinc/28/17/97/132281797.db2.gz AYFPRUKJPJVCFH-UHFFFAOYSA-N 1 2 370.457 2.640 40 0 FFABLO CN(C)c1cc(N2CCC[C@](C)(C(=O)NCc3cccs3)C2)nc[nH+]1 ZINC000257303591 132296840 /nfs/dbraw/zinc/29/68/40/132296840.db2.gz SHWFBALNZBTIES-SFHVURJKSA-N 1 2 359.499 2.527 40 0 FFABLO CN(C)c1cc(N2CCC[C@](C)(C(=O)NCc3cccs3)C2)[nH+]cn1 ZINC000257303591 132296841 /nfs/dbraw/zinc/29/68/41/132296841.db2.gz SHWFBALNZBTIES-SFHVURJKSA-N 1 2 359.499 2.527 40 0 FFABLO CN(C(=O)c1ccc2c(c1)OCCO2)[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000257312498 132297258 /nfs/dbraw/zinc/29/72/58/132297258.db2.gz UOFMOKTZUGABPB-MRXNPFEDSA-N 1 2 353.422 2.594 40 0 FFABLO c1csc(CN2Cc3[nH+]ccn3C[C@@H](COCc3ccccn3)C2)n1 ZINC000096059163 222006897 /nfs/dbraw/zinc/00/68/97/222006897.db2.gz FOBFVASPPWJHFG-HNNXBMFYSA-N 1 2 355.467 2.583 40 0 FFABLO CC[N@@H+]1CCn2c(-c3cccc(F)c3)cnc2C12CCN(C(C)=O)CC2 ZINC000096144984 222047912 /nfs/dbraw/zinc/04/79/12/222047912.db2.gz QUBLMPPAQRKWPX-UHFFFAOYSA-N 1 2 356.445 2.862 40 0 FFABLO CC[N@H+]1CCn2c(-c3cccc(F)c3)cnc2C12CCN(C(C)=O)CC2 ZINC000096144984 222047914 /nfs/dbraw/zinc/04/79/14/222047914.db2.gz QUBLMPPAQRKWPX-UHFFFAOYSA-N 1 2 356.445 2.862 40 0 FFABLO COc1ccc(CN(C)C(=O)c2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC000038361179 506436410 /nfs/dbraw/zinc/43/64/10/506436410.db2.gz JRYAXTFKXBOJNP-UHFFFAOYSA-N 1 2 354.450 2.800 40 0 FFABLO CCOc1cccc(CNC(=O)c2ccc(C[NH+]3CCOCC3)cc2)c1 ZINC000038753555 506444235 /nfs/dbraw/zinc/44/42/35/506444235.db2.gz BDLHTAFRKSYTQI-UHFFFAOYSA-N 1 2 354.450 2.848 40 0 FFABLO CCc1nnc(NC(=O)[C@@H]2CCCN(c3[nH+]c4ccccc4n3C)C2)s1 ZINC000012145801 506823838 /nfs/dbraw/zinc/82/38/38/506823838.db2.gz GKBYNXZCEHGDNM-GFCCVEGCSA-N 1 2 370.482 2.842 40 0 FFABLO Cc1nonc1NC(=O)C[NH+]1CCC2(C=Cc3cc(C)c(C)cc3O2)CC1 ZINC000012187940 506831635 /nfs/dbraw/zinc/83/16/35/506831635.db2.gz FRKBAXKLUGXZDZ-UHFFFAOYSA-N 1 2 368.437 2.874 40 0 FFABLO CCOc1ccccc1CN1CCc2c(N)nc(N3CCCC3)[nH+]c2C1 ZINC000012222216 506837616 /nfs/dbraw/zinc/83/76/16/506837616.db2.gz WLBVOPJBDCMAEF-UHFFFAOYSA-N 1 2 353.470 2.616 40 0 FFABLO CCOc1ccccc1C[N@@H+]1CCc2c(N)nc(N3CCCC3)nc2C1 ZINC000012222216 506837623 /nfs/dbraw/zinc/83/76/23/506837623.db2.gz WLBVOPJBDCMAEF-UHFFFAOYSA-N 1 2 353.470 2.616 40 0 FFABLO CCOc1ccccc1C[N@H+]1CCc2c(N)nc(N3CCCC3)nc2C1 ZINC000012222216 506837633 /nfs/dbraw/zinc/83/76/33/506837633.db2.gz WLBVOPJBDCMAEF-UHFFFAOYSA-N 1 2 353.470 2.616 40 0 FFABLO Cc1cc(-c2cc3nc(C)c(C)c(NCC[NH+]4CCOCC4)n3n2)c(C)o1 ZINC000072337447 507777250 /nfs/dbraw/zinc/77/72/50/507777250.db2.gz MHFLJNUJKKEECX-UHFFFAOYSA-N 1 2 369.469 2.967 40 0 FFABLO CCOc1ccc([C@H]([NH3+])c2nc(COc3ccccc3)n[nH]2)cc1OC ZINC000095534216 508197745 /nfs/dbraw/zinc/19/77/45/508197745.db2.gz KXRIDNIOLBRPRX-SFHVURJKSA-N 1 2 354.410 2.839 40 0 FFABLO COc1ccccc1C[N@H+]1Cc2ccnn2[C@H](CCNC(=O)CC2CC2)C1 ZINC000248146361 509247203 /nfs/dbraw/zinc/24/72/03/509247203.db2.gz SSCYURSNANLZCD-GOSISDBHSA-N 1 2 368.481 2.755 40 0 FFABLO COc1ccccc1C[N@@H+]1Cc2ccnn2[C@H](CCNC(=O)CC2CC2)C1 ZINC000248146361 509247209 /nfs/dbraw/zinc/24/72/09/509247209.db2.gz SSCYURSNANLZCD-GOSISDBHSA-N 1 2 368.481 2.755 40 0 FFABLO Cc1cc(C)cc(OCCNC(=O)c2ccc(C[NH+]3CCOCC3)cc2)c1 ZINC000224055151 509353301 /nfs/dbraw/zinc/35/33/01/509353301.db2.gz KMXRKKKZYWHCQZ-UHFFFAOYSA-N 1 2 368.477 2.944 40 0 FFABLO CCOc1ccc(C(=O)Nc2c[nH+]c(N3CCCC3)nc2N(C)C)cc1 ZINC000224351240 509357415 /nfs/dbraw/zinc/35/74/15/509357415.db2.gz LZNDDUXFADOVNS-UHFFFAOYSA-N 1 2 355.442 2.794 40 0 FFABLO Cc1ccnc(OCC[C@H]2CCOC3(C[NH+](Cc4ccccn4)C3)C2)n1 ZINC000253477575 509883985 /nfs/dbraw/zinc/88/39/85/509883985.db2.gz GNCKAFNPDCDLFX-KRWDZBQOSA-N 1 2 354.454 2.630 40 0 FFABLO CN(C)C(=O)C[N@@H+]1CCC[C@@H](c2nccnc2Oc2ccccc2F)C1 ZINC000257313127 509977088 /nfs/dbraw/zinc/97/70/88/509977088.db2.gz URDHIVJOCVYKPE-CQSZACIVSA-N 1 2 358.417 2.676 40 0 FFABLO CN(C)C(=O)C[N@H+]1CCC[C@@H](c2nccnc2Oc2ccccc2F)C1 ZINC000257313127 509977092 /nfs/dbraw/zinc/97/70/92/509977092.db2.gz URDHIVJOCVYKPE-CQSZACIVSA-N 1 2 358.417 2.676 40 0 FFABLO CCOC[C@@H]1CCn2c[nH+]cc2CN1C(=O)c1ccc2ncccc2c1 ZINC000585096855 518533821 /nfs/dbraw/zinc/53/38/21/518533821.db2.gz DTCQZGAOAXCHNF-KRWDZBQOSA-N 1 2 350.422 2.883 40 0 FFABLO Cc1cc(CN2CCn3c(CCOc4ccccn4)c[nH+]c3[C@@H]2C)[nH]n1 ZINC000585098759 518535153 /nfs/dbraw/zinc/53/51/53/518535153.db2.gz ZICZNDGSLZLNDQ-HNNXBMFYSA-N 1 2 352.442 2.508 40 0 FFABLO Cc1ccc(C[NH+]2CC3(C2)OCC[C@H]3CCNC(=O)C2CC(F)(F)C2)o1 ZINC000585102940 518538137 /nfs/dbraw/zinc/53/81/37/518538137.db2.gz LQTLWEHXIWVLCN-OAHLLOKOSA-N 1 2 368.424 2.731 40 0 FFABLO COc1ccc(-c2c[nH+]c3n2CCN(C(=O)Cc2ccccn2)CC3)cc1 ZINC000585111570 518543727 /nfs/dbraw/zinc/54/37/27/518543727.db2.gz WSZPUXSXLCMQRL-UHFFFAOYSA-N 1 2 362.433 2.581 40 0 FFABLO O=C(NCC[C@@H]1C[N@H+](Cc2cccs2)Cc2ccnn21)c1ccco1 ZINC000585112218 518544047 /nfs/dbraw/zinc/54/40/47/518544047.db2.gz LNUDTVYRNGEFLE-CQSZACIVSA-N 1 2 356.451 2.915 40 0 FFABLO O=C(NCC[C@@H]1C[N@@H+](Cc2cccs2)Cc2ccnn21)c1ccco1 ZINC000585112218 518544056 /nfs/dbraw/zinc/54/40/56/518544056.db2.gz LNUDTVYRNGEFLE-CQSZACIVSA-N 1 2 356.451 2.915 40 0 FFABLO O=C(NCC[C@H]1C[N@H+](Cc2cccs2)Cc2ccnn21)N1CCCC1 ZINC000585112666 518544694 /nfs/dbraw/zinc/54/46/94/518544694.db2.gz UWKSCKPFXFVFQC-HNNXBMFYSA-N 1 2 359.499 2.697 40 0 FFABLO O=C(NCC[C@H]1C[N@@H+](Cc2cccs2)Cc2ccnn21)N1CCCC1 ZINC000585112666 518544699 /nfs/dbraw/zinc/54/46/99/518544699.db2.gz UWKSCKPFXFVFQC-HNNXBMFYSA-N 1 2 359.499 2.697 40 0 FFABLO Cc1nc([C@@H]2C[N@H+](Cc3c[nH]nc3-c3cccs3)CCO2)cc(=O)[nH]1 ZINC000257250157 534502819 /nfs/dbraw/zinc/50/28/19/534502819.db2.gz JLGURZSWCKEVHA-AWEZNQCLSA-N 1 2 357.439 2.516 40 0 FFABLO Cc1nc([C@@H]2C[N@@H+](Cc3c[nH]nc3-c3cccs3)CCO2)cc(=O)[nH]1 ZINC000257250157 534502820 /nfs/dbraw/zinc/50/28/20/534502820.db2.gz JLGURZSWCKEVHA-AWEZNQCLSA-N 1 2 357.439 2.516 40 0 FFABLO CC(=O)NCc1cnc(C)nc1[C@H]1CCC[N@H+]1Cc1nccn1C(C)C ZINC000257329226 526815404 /nfs/dbraw/zinc/81/54/04/526815404.db2.gz XJABXSFGQLAFOP-QGZVFWFLSA-N 1 2 356.474 2.536 40 0 FFABLO CC(=O)NCc1cnc(C)nc1[C@H]1CCC[N@@H+]1Cc1nccn1C(C)C ZINC000257329226 526815409 /nfs/dbraw/zinc/81/54/09/526815409.db2.gz XJABXSFGQLAFOP-QGZVFWFLSA-N 1 2 356.474 2.536 40 0 FFABLO CC(=O)NCc1cnc(C)nc1[C@H]1CCCN1Cc1[nH+]ccn1C(C)C ZINC000257329226 526815413 /nfs/dbraw/zinc/81/54/13/526815413.db2.gz XJABXSFGQLAFOP-QGZVFWFLSA-N 1 2 356.474 2.536 40 0 FFABLO CC(C)[C@@H](CO)Nc1nc(NCc2ccco2)cc(-c2ccncc2)[nH+]1 ZINC000329044274 571129822 /nfs/dbraw/zinc/12/98/22/571129822.db2.gz SWCWVVXGXYVDJD-QGZVFWFLSA-N 1 2 353.426 3.173 40 0 FFABLO O=C1N(c2cccnc2)CC[C@@]12C[N@@H+](Cc1cccnc1)CC(F)(F)C2 ZINC000585093077 571219014 /nfs/dbraw/zinc/21/90/14/571219014.db2.gz AJBRMDUOVPXPEN-GOSISDBHSA-N 1 2 358.392 2.741 40 0 FFABLO O=C1N(c2cccnc2)CC[C@@]12C[N@H+](Cc1cccnc1)CC(F)(F)C2 ZINC000585093077 571219016 /nfs/dbraw/zinc/21/90/16/571219016.db2.gz AJBRMDUOVPXPEN-GOSISDBHSA-N 1 2 358.392 2.741 40 0 FFABLO CNC(=O)C[N@@H+]1CCCC[C@H]1c1cc(Nc2cccc(C)n2)nc(C)n1 ZINC000257268180 529862472 /nfs/dbraw/zinc/86/24/72/529862472.db2.gz MKOSKUCHIBZZBV-INIZCTEOSA-N 1 2 354.458 2.505 40 0 FFABLO CNC(=O)C[N@H+]1CCCC[C@H]1c1cc(Nc2cccc(C)n2)nc(C)n1 ZINC000257268180 529862473 /nfs/dbraw/zinc/86/24/73/529862473.db2.gz MKOSKUCHIBZZBV-INIZCTEOSA-N 1 2 354.458 2.505 40 0 FFABLO CN(C)C(=O)NC[C@@H]1CN(Cc2cccc3ccccc32)Cc2c[nH+]cn21 ZINC000306124165 210049988 /nfs/dbraw/zinc/04/99/88/210049988.db2.gz BIBUDWODDKJZEU-LJQANCHMSA-N 1 2 363.465 2.864 40 0 FFABLO CN(C)C(=O)NC[C@@H]1C[N@H+](Cc2cccc3ccccc32)Cc2cncn21 ZINC000306124165 210049981 /nfs/dbraw/zinc/04/99/81/210049981.db2.gz BIBUDWODDKJZEU-LJQANCHMSA-N 1 2 363.465 2.864 40 0 FFABLO CN(C)C(=O)NC[C@@H]1C[N@@H+](Cc2cccc3ccccc32)Cc2cncn21 ZINC000306124165 210049984 /nfs/dbraw/zinc/04/99/84/210049984.db2.gz BIBUDWODDKJZEU-LJQANCHMSA-N 1 2 363.465 2.864 40 0 FFABLO COCCn1cc[nH+]c1[C@H]1CN(C(=O)c2ccco2)Cc2ccccc21 ZINC000306140053 210055313 /nfs/dbraw/zinc/05/53/13/210055313.db2.gz UIIMLXKHHNWEEA-KRWDZBQOSA-N 1 2 351.406 2.910 40 0 FFABLO CCn1cc(C[N@@H+]2CCO[C@@H](c3cccc(-c4cncnc4)n3)C2)c(C)n1 ZINC000257210003 223019831 /nfs/dbraw/zinc/01/98/31/223019831.db2.gz BSSNVKSMAPLUOF-HXUWFJFHSA-N 1 2 364.453 2.637 40 0 FFABLO CCn1cc(C[N@H+]2CCO[C@@H](c3cccc(-c4cncnc4)n3)C2)c(C)n1 ZINC000257210003 223019836 /nfs/dbraw/zinc/01/98/36/223019836.db2.gz BSSNVKSMAPLUOF-HXUWFJFHSA-N 1 2 364.453 2.637 40 0 FFABLO Cc1cn(C)c([C@H]2CCCN(C(=O)Cn3c(C)nc4ccccc43)C2)[nH+]1 ZINC000257232436 223030247 /nfs/dbraw/zinc/03/02/47/223030247.db2.gz GKUZKUWQDKMQFD-INIZCTEOSA-N 1 2 351.454 2.793 40 0 FFABLO O=C(Cn1cc[nH+]c1)N1CCC[C@@H]1c1ncc(Cc2ccc(F)cc2)o1 ZINC000257287359 223051681 /nfs/dbraw/zinc/05/16/81/223051681.db2.gz PPOSXXUCTUYSTD-QGZVFWFLSA-N 1 2 354.385 2.965 40 0 FFABLO Cn1c[nH+]c(CN2CCC[C@@H]2c2cccc(C(=O)Nc3nccs3)n2)c1 ZINC000257344875 223073577 /nfs/dbraw/zinc/07/35/77/223073577.db2.gz ZYZZYCLHPJKJOA-MRXNPFEDSA-N 1 2 368.466 2.861 40 0 FFABLO Cn1cnc(C[N@@H+]2CCC[C@@H]2c2cccc(C(=O)Nc3nccs3)n2)c1 ZINC000257344875 223073580 /nfs/dbraw/zinc/07/35/80/223073580.db2.gz ZYZZYCLHPJKJOA-MRXNPFEDSA-N 1 2 368.466 2.861 40 0 FFABLO Cn1cnc(C[N@H+]2CCC[C@@H]2c2cccc(C(=O)Nc3nccs3)n2)c1 ZINC000257344875 223073581 /nfs/dbraw/zinc/07/35/81/223073581.db2.gz ZYZZYCLHPJKJOA-MRXNPFEDSA-N 1 2 368.466 2.861 40 0 FFABLO CCn1c(C)[nH+]c2cc(NC(=O)CCc3c(C)nc(N)nc3C)ccc21 ZINC000019719214 211250328 /nfs/dbraw/zinc/25/03/28/211250328.db2.gz OQSMWKCIARLSPU-UHFFFAOYSA-N 1 2 352.442 2.925 40 0 FFABLO CC(C)[C@H]1C[N@H+](Cc2ccccc2F)CCN1C(=O)CCn1ccnc1 ZINC000019451473 211221927 /nfs/dbraw/zinc/22/19/27/211221927.db2.gz HPVQOWDSNYZSTH-LJQANCHMSA-N 1 2 358.461 2.781 40 0 FFABLO CC(C)[C@H]1C[N@@H+](Cc2ccccc2F)CCN1C(=O)CCn1ccnc1 ZINC000019451473 211221930 /nfs/dbraw/zinc/22/19/30/211221930.db2.gz HPVQOWDSNYZSTH-LJQANCHMSA-N 1 2 358.461 2.781 40 0 FFABLO CC(C)[C@H]1CN(Cc2ccccc2F)CCN1C(=O)CCn1cc[nH+]c1 ZINC000019451473 211221934 /nfs/dbraw/zinc/22/19/34/211221934.db2.gz HPVQOWDSNYZSTH-LJQANCHMSA-N 1 2 358.461 2.781 40 0 FFABLO CC(C)c1cc2cccnc2n1CCc1noc(C[NH+]2CCC(O)CC2)n1 ZINC000012292620 210934494 /nfs/dbraw/zinc/93/44/94/210934494.db2.gz OBKKRUZKRBTJOB-UHFFFAOYSA-N 1 2 369.469 2.742 40 0 FFABLO Cc1cccc(OCCNC(=O)c2cccc(C[NH+]3CCOCC3)c2)c1 ZINC000068384600 221315543 /nfs/dbraw/zinc/31/55/43/221315543.db2.gz QHMSNPTXLNXVEH-UHFFFAOYSA-N 1 2 354.450 2.636 40 0 FFABLO Cc1ncsc1-c1cc(C(=O)N2CCN(c3cccc[nH+]3)CC2)ccn1 ZINC000257269960 132295849 /nfs/dbraw/zinc/29/58/49/132295849.db2.gz MSDRWNPEXCFIPZ-UHFFFAOYSA-N 1 2 365.462 2.871 40 0 FFABLO C[N@H+](Cc1cn2c(n1)CN(Cc1ccsc1)CC2)Cc1cccnc1 ZINC000096059542 222007028 /nfs/dbraw/zinc/00/70/28/222007028.db2.gz XJYJHIJBDRYWRA-UHFFFAOYSA-N 1 2 353.495 2.987 40 0 FFABLO C[N@@H+](Cc1cn2c(n1)CN(Cc1ccsc1)CC2)Cc1cccnc1 ZINC000096059542 222007029 /nfs/dbraw/zinc/00/70/29/222007029.db2.gz XJYJHIJBDRYWRA-UHFFFAOYSA-N 1 2 353.495 2.987 40 0 FFABLO Cc1csc(C[N@@H+]2CC[C@H]3C(=O)N(c4ccccc4)CCO[C@H]3C2)n1 ZINC000096206456 222076443 /nfs/dbraw/zinc/07/64/43/222076443.db2.gz RUXBCSFTYWZHGK-SJORKVTESA-N 1 2 357.479 2.705 40 0 FFABLO Cc1csc(C[N@H+]2CC[C@H]3C(=O)N(c4ccccc4)CCO[C@H]3C2)n1 ZINC000096206456 222076444 /nfs/dbraw/zinc/07/64/44/222076444.db2.gz RUXBCSFTYWZHGK-SJORKVTESA-N 1 2 357.479 2.705 40 0 FFABLO Cc1ccc(C(=O)N2Cc3c[nH+]cn3C[C@@H](COCC3CCC3)C2)cn1 ZINC000096208090 222078738 /nfs/dbraw/zinc/07/87/38/222078738.db2.gz INJNZNFXGQUAKA-KRWDZBQOSA-N 1 2 354.454 2.675 40 0 FFABLO Cc1ccnc(C(=O)N2CC[C@]3(C2)C[C@H](Nc2cccc[nH+]2)CCO3)c1 ZINC000096219660 222084107 /nfs/dbraw/zinc/08/41/07/222084107.db2.gz GGDFXGIAUMXANL-OXQOHEQNSA-N 1 2 352.438 2.661 40 0 FFABLO CCn1ncc(C[N@@H+]2CCc3nc4cc(C(C)(C)C)[nH]n4c(=O)c3C2)c1C ZINC000012276761 506843133 /nfs/dbraw/zinc/84/31/33/506843133.db2.gz CCXQLGSTQRPHBU-UHFFFAOYSA-N 1 2 368.485 2.816 40 0 FFABLO CCn1ncc(C[N@H+]2CCc3nc4cc(C(C)(C)C)[nH]n4c(=O)c3C2)c1C ZINC000012276761 506843138 /nfs/dbraw/zinc/84/31/38/506843138.db2.gz CCXQLGSTQRPHBU-UHFFFAOYSA-N 1 2 368.485 2.816 40 0 FFABLO CCOC(=O)c1cccc(NC(=O)c2cccc(C[NH+]3CCOCC3)c2)c1 ZINC000044900278 506898429 /nfs/dbraw/zinc/89/84/29/506898429.db2.gz OAVOOTONYACRIO-UHFFFAOYSA-N 1 2 368.433 2.948 40 0 FFABLO Cc1cc(-c2ccc(N)[nH+]c2)cc([C@H]2CCN(C(=O)c3ccc(N)nc3)C2)n1 ZINC000072374702 507780774 /nfs/dbraw/zinc/78/07/74/507780774.db2.gz BNWWVDBDGHVHHI-INIZCTEOSA-N 1 2 374.448 2.641 40 0 FFABLO CC(=O)N1CCc2nnc([C@H]3CCCC[N@@H+]3Cc3cccc(C)c3)n2CC1 ZINC000072372802 507781202 /nfs/dbraw/zinc/78/12/02/507781202.db2.gz XDKHZJRXGONADQ-LJQANCHMSA-N 1 2 367.497 2.718 40 0 FFABLO CC(=O)N1CCc2nnc([C@H]3CCCC[N@H+]3Cc3cccc(C)c3)n2CC1 ZINC000072372802 507781206 /nfs/dbraw/zinc/78/12/06/507781206.db2.gz XDKHZJRXGONADQ-LJQANCHMSA-N 1 2 367.497 2.718 40 0 FFABLO COc1ccc(O[C@@H](C)C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000030759047 507812748 /nfs/dbraw/zinc/81/27/48/507812748.db2.gz VWAQMWWBQOMECE-HNNXBMFYSA-N 1 2 351.406 2.965 40 0 FFABLO CCOc1ccc(-c2nnc([C@H]([NH3+])c3cccc(OC)c3)[nH]2)cc1OC ZINC000095533634 508197784 /nfs/dbraw/zinc/19/77/84/508197784.db2.gz SWBRWVGOYHVIMB-QGZVFWFLSA-N 1 2 354.410 2.936 40 0 FFABLO O=C(N1CCCC1)N1Cc2[nH+]cn(CC3CC3)c2[C@H](COCC2CC2)C1 ZINC000096045162 508203930 /nfs/dbraw/zinc/20/39/30/508203930.db2.gz ZKOOVOHMPUVSCX-KRWDZBQOSA-N 1 2 358.486 2.835 40 0 FFABLO CCc1ccc(CC(=O)NCc2ccccc2C[NH+]2CCOCC2)cc1 ZINC000158793294 508753177 /nfs/dbraw/zinc/75/31/77/508753177.db2.gz DVBRVMPTGHQDSY-UHFFFAOYSA-N 1 2 352.478 2.940 40 0 FFABLO Cc1cc(C[NH+]2CC3(C2)C[C@H](OCc2csc(C)n2)CS3)n(C)n1 ZINC000248011702 509216325 /nfs/dbraw/zinc/21/63/25/509216325.db2.gz FCYYQESXBFQPHL-INIZCTEOSA-N 1 2 364.540 2.770 40 0 FFABLO c1cncc(O[C@@H]2CCOC3(C[NH+](Cc4ccc5c(c4)OCO5)C3)C2)c1 ZINC000248335146 509272037 /nfs/dbraw/zinc/27/20/37/509272037.db2.gz MKWGBXBXIQVFHQ-MRXNPFEDSA-N 1 2 354.406 2.623 40 0 FFABLO O=C(NCc1ccc(-n2cc[nH+]c2)cc1)c1cccc(N2CCCC2=O)c1 ZINC000224744469 509360866 /nfs/dbraw/zinc/36/08/66/509360866.db2.gz KBGPVAWZNZVDSK-UHFFFAOYSA-N 1 2 360.417 2.929 40 0 FFABLO COC(=O)c1cc(NC(=S)NCCCn2cc[nH+]c2)ccc1Cl ZINC000225521236 509375390 /nfs/dbraw/zinc/37/53/90/509375390.db2.gz BXYLCPVESYPPMI-UHFFFAOYSA-N 1 2 352.847 2.700 40 0 FFABLO CC(C)n1nccc1NC(=O)[C@@H](C)[N@@H+]1CC[C@]2(C1)OCc1ccccc12 ZINC000186618090 509804832 /nfs/dbraw/zinc/80/48/32/509804832.db2.gz KCNKLUFYDYHJGA-FOIQADDNSA-N 1 2 354.454 2.922 40 0 FFABLO CC(C)n1nccc1NC(=O)[C@@H](C)[N@H+]1CC[C@]2(C1)OCc1ccccc12 ZINC000186618090 509804838 /nfs/dbraw/zinc/80/48/38/509804838.db2.gz KCNKLUFYDYHJGA-FOIQADDNSA-N 1 2 354.454 2.922 40 0 FFABLO O=C(C[C@@H]1C[N@@H+](Cc2ccccc2F)Cc2ccnn21)NCc1ccco1 ZINC000247844231 510871471 /nfs/dbraw/zinc/87/14/71/510871471.db2.gz GLVNQQWVLZWCLZ-QGZVFWFLSA-N 1 2 368.412 2.879 40 0 FFABLO O=C(C[C@@H]1C[N@H+](Cc2ccccc2F)Cc2ccnn21)NCc1ccco1 ZINC000247844231 510871472 /nfs/dbraw/zinc/87/14/72/510871472.db2.gz GLVNQQWVLZWCLZ-QGZVFWFLSA-N 1 2 368.412 2.879 40 0 FFABLO COc1cccc(C[NH+]2CC3(C2)C[C@@H](OCC2CCOCC2)CCO3)c1 ZINC000247867423 510871796 /nfs/dbraw/zinc/87/17/96/510871796.db2.gz BMIQCMRTLNBRJG-FQEVSTJZSA-N 1 2 361.482 2.872 40 0 FFABLO Cn1cnc2c1[C@@H](C(=O)NCc1cccs1)C[N@H+](Cc1cccs1)C2 ZINC000585110800 518541714 /nfs/dbraw/zinc/54/17/14/518541714.db2.gz IMXMZYXUGNXKMC-HNNXBMFYSA-N 1 2 372.519 2.959 40 0 FFABLO Cn1cnc2c1[C@@H](C(=O)NCc1cccs1)C[N@@H+](Cc1cccs1)C2 ZINC000585110800 518541717 /nfs/dbraw/zinc/54/17/17/518541717.db2.gz IMXMZYXUGNXKMC-HNNXBMFYSA-N 1 2 372.519 2.959 40 0 FFABLO Cc1cnc(Nc2cc([C@H]3CCCC[N@H+]3CC(=O)N(C)C)nc(C)n2)s1 ZINC000585177429 518548378 /nfs/dbraw/zinc/54/83/78/518548378.db2.gz BIMFSMZUHURSMT-OAHLLOKOSA-N 1 2 374.514 2.909 40 0 FFABLO Cc1cnc(Nc2cc([C@H]3CCCC[N@@H+]3CC(=O)N(C)C)nc(C)n2)s1 ZINC000585177429 518548383 /nfs/dbraw/zinc/54/83/83/518548383.db2.gz BIMFSMZUHURSMT-OAHLLOKOSA-N 1 2 374.514 2.909 40 0 FFABLO CC(C)[C@H](CO)Nc1cc(N2CCc3cc([C@@H](C)O)ccc3C2)nc[nH+]1 ZINC000329063893 535037398 /nfs/dbraw/zinc/03/73/98/535037398.db2.gz XGGAOKZVEVMQSL-KDOFPFPSSA-N 1 2 356.470 2.521 40 0 FFABLO CC(C)[C@H](CO)Nc1cc(N2CCc3cc([C@@H](C)O)ccc3C2)[nH+]cn1 ZINC000329063893 535037403 /nfs/dbraw/zinc/03/74/03/535037403.db2.gz XGGAOKZVEVMQSL-KDOFPFPSSA-N 1 2 356.470 2.521 40 0 FFABLO CCc1nnc2c(N3CCN(c4cccc[nH+]4)CC3)nc3ccccc3n12 ZINC000007504162 535860517 /nfs/dbraw/zinc/86/05/17/535860517.db2.gz HLFLPTRWPGDOCR-UHFFFAOYSA-N 1 2 359.437 2.562 40 0 FFABLO CC(C)[C@H](CO)Nc1nc(NC[C@@H]2CCCO2)cc(-c2ccccc2)[nH+]1 ZINC000328955349 571130209 /nfs/dbraw/zinc/13/02/09/571130209.db2.gz ACGLCHKMLCZZOR-WMZOPIPTSA-N 1 2 356.470 3.163 40 0 FFABLO OCCCNc1nc(Nc2ccc(F)c(F)c2)cc(-c2ccccc2)[nH+]1 ZINC000329061782 210135560 /nfs/dbraw/zinc/13/55/60/210135560.db2.gz WTXVMDSOKLMMPU-UHFFFAOYSA-N 1 2 356.376 2.804 40 0 FFABLO Cc1c(Nc2cc(C3CC3)[nH+]c(NCCO)n2)cccc1C(F)(F)F ZINC000329012587 210131194 /nfs/dbraw/zinc/13/11/94/210131194.db2.gz MKRRAIVLEUKSDY-UHFFFAOYSA-N 1 2 352.360 2.673 40 0 FFABLO c1coc(C[N@@H+]2CCO[C@@H](c3nnn4cc(-c5ccncc5)ccc34)C2)c1 ZINC000306129437 210052402 /nfs/dbraw/zinc/05/24/02/210052402.db2.gz IDFFOJKCJSOOGM-LJQANCHMSA-N 1 2 361.405 2.958 40 0 FFABLO c1coc(C[N@H+]2CCO[C@@H](c3nnn4cc(-c5ccncc5)ccc34)C2)c1 ZINC000306129437 210052405 /nfs/dbraw/zinc/05/24/05/210052405.db2.gz IDFFOJKCJSOOGM-LJQANCHMSA-N 1 2 361.405 2.958 40 0 FFABLO Cc1c[nH]nc1C[C@H]1CCCN(C(=O)Cn2c(C)[nH+]c3ccccc32)C1 ZINC000257238867 223033109 /nfs/dbraw/zinc/03/31/09/223033109.db2.gz HMVXQQJWPTZXTM-MRXNPFEDSA-N 1 2 351.454 2.858 40 0 FFABLO O=S(=O)(c1ccc(F)cc1)N1Cc2[nH+]ccn2C[C@H]1c1ccccc1 ZINC000257277503 223047847 /nfs/dbraw/zinc/04/78/47/223047847.db2.gz NYFKJGBGXMBENV-KRWDZBQOSA-N 1 2 357.410 2.968 40 0 FFABLO O=C(Cn1cc[nH+]c1)N1CCC[C@H]1c1ncc(Cc2ccc(F)cc2)o1 ZINC000257287358 223051234 /nfs/dbraw/zinc/05/12/34/223051234.db2.gz PPOSXXUCTUYSTD-KRWDZBQOSA-N 1 2 354.385 2.965 40 0 FFABLO Cc1cc(C)nc(Nc2nccnc2[C@@H]2CCCN2Cc2[nH+]ccn2C)n1 ZINC000257294535 223053889 /nfs/dbraw/zinc/05/38/89/223053889.db2.gz QUPMQXQQWYDZOL-HNNXBMFYSA-N 1 2 364.457 2.698 40 0 FFABLO COc1ccc(OC)c([C@@H]2CCC[N@H+]2CC(=O)Nc2cnn(C)c2C)c1 ZINC000019658917 211241876 /nfs/dbraw/zinc/24/18/76/211241876.db2.gz HLRCVBBFXZOPPM-KRWDZBQOSA-N 1 2 358.442 2.521 40 0 FFABLO COc1ccc(OC)c([C@@H]2CCC[N@@H+]2CC(=O)Nc2cnn(C)c2C)c1 ZINC000019658917 211241874 /nfs/dbraw/zinc/24/18/74/211241874.db2.gz HLRCVBBFXZOPPM-KRWDZBQOSA-N 1 2 358.442 2.521 40 0 FFABLO CCN(Cc1cnc(C)nc1)c1cccc(OCC[NH+]2CCOCC2)c1 ZINC000019526658 211227987 /nfs/dbraw/zinc/22/79/87/211227987.db2.gz CVTGSHJIHOYXQU-UHFFFAOYSA-N 1 2 356.470 2.523 40 0 FFABLO CC[NH+]1CCN(C(=O)[C@@H]2[C@@H]3CC[C@@]4(CC(=O)c5cc(C)ccc5O4)[C@@H]32)CC1 ZINC000019527783 211227918 /nfs/dbraw/zinc/22/79/18/211227918.db2.gz BJTBWWZJRLSGBL-CDYWNXMYSA-N 1 2 368.477 2.519 40 0 FFABLO Cc1ccc(C)c([C@H](O)C[NH+]2CCN(C(=O)c3ccccc3F)CC2)c1 ZINC000019132073 211204390 /nfs/dbraw/zinc/20/43/90/211204390.db2.gz FIYWEPYIIYQZML-HXUWFJFHSA-N 1 2 356.441 2.934 40 0 FFABLO COc1ccc(OC)c(-c2csc(NCCC[NH+]3CCOCC3)n2)c1 ZINC000019552710 220270363 /nfs/dbraw/zinc/27/03/63/220270363.db2.gz MIVOEIOEFVTYMK-UHFFFAOYSA-N 1 2 363.483 2.962 40 0 FFABLO CNc1cc([C@H]2CCCN(C(=O)c3ccc4c(c3)OCCO4)C2)cc[nH+]1 ZINC000257323012 533054520 /nfs/dbraw/zinc/05/45/20/533054520.db2.gz WIJVNOPUEIJGGV-INIZCTEOSA-N 1 2 353.422 2.914 40 0 FFABLO CCc1cccc(NC(=O)Nc2c[nH+]c(N3CCOCC3)nc2N(C)C)c1 ZINC000224147391 132281830 /nfs/dbraw/zinc/28/18/30/132281830.db2.gz CMPDNMYQCAZFMH-UHFFFAOYSA-N 1 2 370.457 2.586 40 0 FFABLO O=C(c1ccncc1)N1CCC(F)(F)[C@@]2(CCN(c3cccc[nH+]3)C2)C1 ZINC000096239618 222095815 /nfs/dbraw/zinc/09/58/15/222095815.db2.gz NHDDTLGCVPDHTF-GOSISDBHSA-N 1 2 358.392 2.855 40 0 FFABLO Cc1ccc(C(=O)N2CCCn3nnc(C[NH+]4CCCCC4)c3C2)cc1C ZINC000096259572 222102766 /nfs/dbraw/zinc/10/27/66/222102766.db2.gz KJMCYEBBLKAHSV-UHFFFAOYSA-N 1 2 367.497 2.927 40 0 FFABLO Cc1nc(C[N@@H+]2CCC[C@@]3(CN(Cc4ccccn4)CCO3)C2)cs1 ZINC000096226691 222088406 /nfs/dbraw/zinc/08/84/06/222088406.db2.gz IUXAUYMYLMTCJD-IBGZPJMESA-N 1 2 358.511 2.714 40 0 FFABLO Cc1nc(C[N@H+]2CCC[C@@]3(CN(Cc4ccccn4)CCO3)C2)cs1 ZINC000096226691 222088408 /nfs/dbraw/zinc/08/84/08/222088408.db2.gz IUXAUYMYLMTCJD-IBGZPJMESA-N 1 2 358.511 2.714 40 0 FFABLO Cc1nc(CN2CCC[C@]3(C2)C[N@H+](Cc2ccccn2)CCO3)cs1 ZINC000096226691 222088412 /nfs/dbraw/zinc/08/84/12/222088412.db2.gz IUXAUYMYLMTCJD-IBGZPJMESA-N 1 2 358.511 2.714 40 0 FFABLO Cc1nc(CN2CCC[C@]3(C2)C[N@@H+](Cc2ccccn2)CCO3)cs1 ZINC000096226691 222088415 /nfs/dbraw/zinc/08/84/15/222088415.db2.gz IUXAUYMYLMTCJD-IBGZPJMESA-N 1 2 358.511 2.714 40 0 FFABLO Cc1cc(-c2cc3[nH]c4c(c(=O)n3n2)CC[N@H+](Cc2ccoc2)C4)no1 ZINC000100182402 222238693 /nfs/dbraw/zinc/23/86/93/222238693.db2.gz HCWFDYCSAKJIGB-UHFFFAOYSA-N 1 2 351.366 2.550 40 0 FFABLO Cc1cc(-c2cc3[nH]c4c(c(=O)n3n2)CC[N@@H+](Cc2ccoc2)C4)no1 ZINC000100182402 222238696 /nfs/dbraw/zinc/23/86/96/222238696.db2.gz HCWFDYCSAKJIGB-UHFFFAOYSA-N 1 2 351.366 2.550 40 0 FFABLO O=C(CN1C(=O)N2CCC[NH+]=C2c2ccc(Cl)cc21)N1CCCCC1 ZINC000019345949 507167222 /nfs/dbraw/zinc/16/72/22/507167222.db2.gz NPWVIYCRDRENQZ-UHFFFAOYSA-N 1 2 360.845 2.745 40 0 FFABLO CC(C)(C)OC(=O)N1CCN(c2[nH+]cccc2[C@H]2CCCCN2C=O)CC1 ZINC000072216495 507770754 /nfs/dbraw/zinc/77/07/54/507770754.db2.gz HDFPWZWTHUYJBF-QGZVFWFLSA-N 1 2 374.485 2.822 40 0 FFABLO C[C@@]12CCC(=O)N1[C@H]1CCCC[C@@H]1[N@@H+]2Cc1ccnc(N2CCCC2)n1 ZINC000072348149 507779525 /nfs/dbraw/zinc/77/95/25/507779525.db2.gz MZVMLDYPOWALEQ-ZWOKBUDYSA-N 1 2 355.486 2.542 40 0 FFABLO C[C@@]12CCC(=O)N1[C@H]1CCCC[C@@H]1[N@H+]2Cc1ccnc(N2CCCC2)n1 ZINC000072348149 507779528 /nfs/dbraw/zinc/77/95/28/507779528.db2.gz MZVMLDYPOWALEQ-ZWOKBUDYSA-N 1 2 355.486 2.542 40 0 FFABLO Cc1cc(-c2ccc(N)[nH+]c2)cc([C@@H]2CCN(C(=O)c3ccc(N)nc3)C2)n1 ZINC000072374701 507780955 /nfs/dbraw/zinc/78/09/55/507780955.db2.gz BNWWVDBDGHVHHI-MRXNPFEDSA-N 1 2 374.448 2.641 40 0 FFABLO CC(=O)N1CCc2nnc([C@H]3CCCC[N@@H+]3Cc3ccccc3F)n2CC1 ZINC000072372809 507781340 /nfs/dbraw/zinc/78/13/40/507781340.db2.gz VEWZCCJUOSDWHG-GOSISDBHSA-N 1 2 371.460 2.549 40 0 FFABLO CC(=O)N1CCc2nnc([C@H]3CCCC[N@H+]3Cc3ccccc3F)n2CC1 ZINC000072372809 507781342 /nfs/dbraw/zinc/78/13/42/507781342.db2.gz VEWZCCJUOSDWHG-GOSISDBHSA-N 1 2 371.460 2.549 40 0 FFABLO Cn1c[nH+]c2c1[C@H](COCc1cccnc1)CN(C(=O)C1=CCCC1)C2 ZINC000096045032 508203783 /nfs/dbraw/zinc/20/37/83/508203783.db2.gz SHEWWOLYAQDRNH-KRWDZBQOSA-N 1 2 352.438 2.568 40 0 FFABLO Cc1csc(C[NH+]2CC3(C2)C[C@H](OCC2CCOCC2)CS3)n1 ZINC000247983328 509211294 /nfs/dbraw/zinc/21/12/94/509211294.db2.gz YAYMUQQQOUNYHW-HNNXBMFYSA-N 1 2 354.541 2.955 40 0 FFABLO c1ccc(CO[C@H]2CCOC3(C[NH+](Cc4ccc5c(c4)OCO5)C3)C2)nc1 ZINC000248341592 509273161 /nfs/dbraw/zinc/27/31/61/509273161.db2.gz WOORMNKFWXRHLH-SFHVURJKSA-N 1 2 368.433 2.761 40 0 FFABLO c1ccc(CO[C@@H]2CCOC3(C[NH+](Cc4ccc5c(c4)OCO5)C3)C2)nc1 ZINC000248341590 509273290 /nfs/dbraw/zinc/27/32/90/509273290.db2.gz WOORMNKFWXRHLH-GOSISDBHSA-N 1 2 368.433 2.761 40 0 FFABLO Cc1noc(C)c1C[NH+]1CC2(C1)C[C@H](CCOc1cnccn1)CCO2 ZINC000252015086 509830925 /nfs/dbraw/zinc/83/09/25/509830925.db2.gz VFNGPPVMCWTNND-MRXNPFEDSA-N 1 2 358.442 2.532 40 0 FFABLO O=C(NCC[C@@H]1CCOC12C[NH+](Cc1ccccc1F)C2)c1ccncc1 ZINC000247476843 510862209 /nfs/dbraw/zinc/86/22/09/510862209.db2.gz HKYVWIZUFYEZIG-GOSISDBHSA-N 1 2 369.440 2.632 40 0 FFABLO CCOC[C@H]1CCn2c[nH+]cc2CN1C(=O)c1cnc2ccccc2c1 ZINC000585097793 518534678 /nfs/dbraw/zinc/53/46/78/518534678.db2.gz PUAVJTFADHZAQI-QGZVFWFLSA-N 1 2 350.422 2.883 40 0 FFABLO COc1cc(C[NH+]2CC3(C2)C[C@@H](Oc2ccccn2)CCO3)cc(OC)c1 ZINC000585104632 518539880 /nfs/dbraw/zinc/53/98/80/518539880.db2.gz JSBYLMQTUKLOSM-KRWDZBQOSA-N 1 2 370.449 2.911 40 0 FFABLO Cn1cnc2c1[C@@H](C(=O)NCC1CCC1)C[N@H+](Cc1ccc(F)cc1)C2 ZINC000585110815 518542301 /nfs/dbraw/zinc/54/23/01/518542301.db2.gz KJDQGJQHXKOJQC-KRWDZBQOSA-N 1 2 356.445 2.575 40 0 FFABLO Cn1cnc2c1[C@@H](C(=O)NCC1CCC1)C[N@@H+](Cc1ccc(F)cc1)C2 ZINC000585110815 518542306 /nfs/dbraw/zinc/54/23/06/518542306.db2.gz KJDQGJQHXKOJQC-KRWDZBQOSA-N 1 2 356.445 2.575 40 0 FFABLO Cn1cccc1C(=O)NCC[C@H]1C[N@H+](Cc2ccsc2)Cc2ccnn21 ZINC000585112270 518543773 /nfs/dbraw/zinc/54/37/73/518543773.db2.gz MINWBNBOBISDCU-INIZCTEOSA-N 1 2 369.494 2.660 40 0 FFABLO Cn1cccc1C(=O)NCC[C@H]1C[N@@H+](Cc2ccsc2)Cc2ccnn21 ZINC000585112270 518543781 /nfs/dbraw/zinc/54/37/81/518543781.db2.gz MINWBNBOBISDCU-INIZCTEOSA-N 1 2 369.494 2.660 40 0 FFABLO Cc1ccc(C[N@H+]2Cc3ccnn3[C@@H](CNC(=O)N3CCCC3)C2)cc1 ZINC000585113042 518546137 /nfs/dbraw/zinc/54/61/37/518546137.db2.gz XUQVONUCDABYDG-IBGZPJMESA-N 1 2 353.470 2.554 40 0 FFABLO Cc1ccc(C[N@@H+]2Cc3ccnn3[C@@H](CNC(=O)N3CCCC3)C2)cc1 ZINC000585113042 518546144 /nfs/dbraw/zinc/54/61/44/518546144.db2.gz XUQVONUCDABYDG-IBGZPJMESA-N 1 2 353.470 2.554 40 0 FFABLO O=C([O-])c1cccc(C[N@@H+]2CCC[C@H](c3cncc(-n4cc[nH+]c4)n3)C2)c1 ZINC000257297189 534547636 /nfs/dbraw/zinc/54/76/36/534547636.db2.gz RGGJYCFPKRWUMF-KRWDZBQOSA-N 1 2 363.421 2.740 40 0 FFABLO O=C([O-])c1cccc(C[N@H+]2CCC[C@H](c3cncc(-n4cc[nH+]c4)n3)C2)c1 ZINC000257297189 534547639 /nfs/dbraw/zinc/54/76/39/534547639.db2.gz RGGJYCFPKRWUMF-KRWDZBQOSA-N 1 2 363.421 2.740 40 0 FFABLO Cc1c[nH+]c2n1C[C@H](c1ccccc1)N(C(=O)c1cnn3cccnc13)C2 ZINC000257220217 534668150 /nfs/dbraw/zinc/66/81/50/534668150.db2.gz DKBAICSCTIVMTL-QGZVFWFLSA-N 1 2 358.405 2.632 40 0 FFABLO Cc1[nH+]c2ccccc2n1CC(=O)N1CCO[C@H](c2ccnc(C)c2)C1 ZINC000257234753 534672400 /nfs/dbraw/zinc/67/24/00/534672400.db2.gz GUYBNVCMPQYBHD-IBGZPJMESA-N 1 2 350.422 2.648 40 0 FFABLO CCN1C(=O)CC[C@@H](C(=O)NCCCn2cc[nH+]c2)[C@@H]1c1ccc(C)cc1 ZINC000257310922 528948850 /nfs/dbraw/zinc/94/88/50/528948850.db2.gz UHERIJKNTYJPSV-QUCCMNQESA-N 1 2 368.481 2.698 40 0 FFABLO CCc1[nH+]ccn1-c1ccc(C(=O)N(C)C[C@H]2Cc3ccccc3O2)cn1 ZINC000257233265 529759582 /nfs/dbraw/zinc/75/95/82/529759582.db2.gz GONKTDHDSNPYPP-QGZVFWFLSA-N 1 2 362.433 2.905 40 0 FFABLO Cc1nc(Nc2ncccn2)cc([C@@H]2CCCC[N@@H+]2Cc2cc[nH]n2)n1 ZINC000257213747 223022021 /nfs/dbraw/zinc/02/20/21/223022021.db2.gz CIXSRZNGXRDYQJ-INIZCTEOSA-N 1 2 350.430 2.769 40 0 FFABLO Cc1nc(Nc2ncccn2)cc([C@@H]2CCCC[N@H+]2Cc2cc[nH]n2)n1 ZINC000257213747 223022023 /nfs/dbraw/zinc/02/20/23/223022023.db2.gz CIXSRZNGXRDYQJ-INIZCTEOSA-N 1 2 350.430 2.769 40 0 FFABLO Cc1ccc(F)cc1NC(=O)C[N@@H+]1CC[C@H](Oc2ccccc2)[C@@](C)(O)C1 ZINC000257302183 223058434 /nfs/dbraw/zinc/05/84/34/223058434.db2.gz SBVALOQFSRVDSJ-FPOVZHCZSA-N 1 2 372.440 2.977 40 0 FFABLO Cc1ccc(F)cc1NC(=O)C[N@H+]1CC[C@H](Oc2ccccc2)[C@@](C)(O)C1 ZINC000257302183 223058436 /nfs/dbraw/zinc/05/84/36/223058436.db2.gz SBVALOQFSRVDSJ-FPOVZHCZSA-N 1 2 372.440 2.977 40 0 FFABLO Cn1c[nH+]c(CN2CCC[C@H]2c2cccc(C(=O)Nc3nccs3)n2)c1 ZINC000257344874 223073398 /nfs/dbraw/zinc/07/33/98/223073398.db2.gz ZYZZYCLHPJKJOA-INIZCTEOSA-N 1 2 368.466 2.861 40 0 FFABLO Cn1cnc(C[N@@H+]2CCC[C@H]2c2cccc(C(=O)Nc3nccs3)n2)c1 ZINC000257344874 223073401 /nfs/dbraw/zinc/07/34/01/223073401.db2.gz ZYZZYCLHPJKJOA-INIZCTEOSA-N 1 2 368.466 2.861 40 0 FFABLO Cn1cnc(C[N@H+]2CCC[C@H]2c2cccc(C(=O)Nc3nccs3)n2)c1 ZINC000257344874 223073403 /nfs/dbraw/zinc/07/34/03/223073403.db2.gz ZYZZYCLHPJKJOA-INIZCTEOSA-N 1 2 368.466 2.861 40 0 FFABLO Cn1cc(C[N@@H+]2CCO[C@@H](c3cn4c(cccc4-c4ccncc4)n3)C2)cn1 ZINC000306124669 223107300 /nfs/dbraw/zinc/10/73/00/223107300.db2.gz BWECVPNIJYWWQW-HXUWFJFHSA-N 1 2 374.448 2.703 40 0 FFABLO Cn1cc(C[N@H+]2CCO[C@@H](c3cn4c(cccc4-c4ccncc4)n3)C2)cn1 ZINC000306124669 223107304 /nfs/dbraw/zinc/10/73/04/223107304.db2.gz BWECVPNIJYWWQW-HXUWFJFHSA-N 1 2 374.448 2.703 40 0 FFABLO Cc1ccc(C(=O)N[C@H]2C[C@@H](c3nc(-c4ccncc4)no3)[N@H+](C)C2)cc1 ZINC000012529827 220003053 /nfs/dbraw/zinc/00/30/53/220003053.db2.gz BUCMVLLKHVHDTF-IRXDYDNUSA-N 1 2 363.421 2.615 40 0 biogenic,in-vitro FFABLO Cc1ccc(C(=O)N[C@H]2C[C@@H](c3nc(-c4ccncc4)no3)[N@@H+](C)C2)cc1 ZINC000012529827 220003057 /nfs/dbraw/zinc/00/30/57/220003057.db2.gz BUCMVLLKHVHDTF-IRXDYDNUSA-N 1 2 363.421 2.615 40 0 biogenic,in-vitro FFABLO COc1cccc(OC)c1C[N@@H+]1CC[C@@H](c2cc3nc(C)cc(=O)n3[nH]2)C1 ZINC000013225698 220061020 /nfs/dbraw/zinc/06/10/20/220061020.db2.gz HUCRNQAPUHYVQB-CQSZACIVSA-N 1 2 368.437 2.750 40 0 FFABLO COc1cccc(OC)c1C[N@H+]1CC[C@@H](c2cc3nc(C)cc(=O)n3[nH]2)C1 ZINC000013225698 220061022 /nfs/dbraw/zinc/06/10/22/220061022.db2.gz HUCRNQAPUHYVQB-CQSZACIVSA-N 1 2 368.437 2.750 40 0 FFABLO CC(=O)N1CC[C@H](c2ncc3c(n2)CC[N@@H+](Cc2cccc(F)c2)C3)C1 ZINC000019016696 220233166 /nfs/dbraw/zinc/23/31/66/220233166.db2.gz WHFNXZGAUSEJBG-INIZCTEOSA-N 1 2 354.429 2.510 40 0 FFABLO CC(=O)N1CC[C@H](c2ncc3c(n2)CC[N@H+](Cc2cccc(F)c2)C3)C1 ZINC000019016696 220233171 /nfs/dbraw/zinc/23/31/71/220233171.db2.gz WHFNXZGAUSEJBG-INIZCTEOSA-N 1 2 354.429 2.510 40 0 FFABLO COc1ccc(F)c(C[N@@H+]2CCc3c(=O)[nH]c(-c4cccnc4)nc3C2)c1 ZINC000019551657 220271804 /nfs/dbraw/zinc/27/18/04/220271804.db2.gz WSBGHKZTZFYZSA-UHFFFAOYSA-N 1 2 366.396 2.538 40 0 FFABLO COc1ccc(F)c(C[N@H+]2CCc3c(=O)[nH]c(-c4cccnc4)nc3C2)c1 ZINC000019551657 220271805 /nfs/dbraw/zinc/27/18/05/220271805.db2.gz WSBGHKZTZFYZSA-UHFFFAOYSA-N 1 2 366.396 2.538 40 0 FFABLO COc1ccccc1NC(=O)N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000019571262 220276768 /nfs/dbraw/zinc/27/67/68/220276768.db2.gz WGJYFAUCUGMQPC-UHFFFAOYSA-N 1 2 369.421 2.774 40 0 FFABLO C[N@@H+]1CCCC[C@H]1c1ncc2c(n1)CCN(C(=O)Cc1ccccc1F)C2 ZINC000019588930 220279437 /nfs/dbraw/zinc/27/94/37/220279437.db2.gz SZVOPTHXKASLRD-IBGZPJMESA-N 1 2 368.456 2.900 40 0 FFABLO C[N@H+]1CCCC[C@H]1c1ncc2c(n1)CCN(C(=O)Cc1ccccc1F)C2 ZINC000019588930 220279443 /nfs/dbraw/zinc/27/94/43/220279443.db2.gz SZVOPTHXKASLRD-IBGZPJMESA-N 1 2 368.456 2.900 40 0 FFABLO Cc1cc2[nH]c(CCNC(=O)c3ccc(-n4cccn4)nc3)[nH+]c2cc1C ZINC000019716570 220290523 /nfs/dbraw/zinc/29/05/23/220290523.db2.gz HLLACPAIUSZXST-UHFFFAOYSA-N 1 2 360.421 2.733 40 0 FFABLO CC(C)(CO)CCCn1c[nH+]cc1-c1cnc(N2CCOCC2)s1 ZINC000019719530 220290960 /nfs/dbraw/zinc/29/09/60/220290960.db2.gz MULWFGXPTFCJCM-UHFFFAOYSA-N 1 2 350.488 2.642 40 0 FFABLO O=C(c1ccc(F)cc1)C1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC000278922037 256362653 /nfs/dbraw/zinc/36/26/53/256362653.db2.gz UECSKAVRCARSTC-UHFFFAOYSA-N 1 2 370.428 2.552 40 0 FFABLO O=C(c1ccc(F)cc1)C1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000278922037 256362655 /nfs/dbraw/zinc/36/26/55/256362655.db2.gz UECSKAVRCARSTC-UHFFFAOYSA-N 1 2 370.428 2.552 40 0 FFABLO C[C@@H]1C[C@@H](NC(=O)N2CCN(c3cc(F)ccc3F)CC2)c2[nH+]ccn21 ZINC000333053057 258246974 /nfs/dbraw/zinc/24/69/74/258246974.db2.gz BWWDGSRWLDPPNB-IUODEOHRSA-N 1 2 361.396 2.699 40 0 FFABLO CS(=O)(=O)c1c[nH]nc1[C@H]1CCC[N@H+](Cc2ccc3cc[nH]c3c2)C1 ZINC000257298914 533467289 /nfs/dbraw/zinc/46/72/89/533467289.db2.gz RNVLOFDJBKQPNO-HNNXBMFYSA-N 1 2 358.467 2.674 40 0 FFABLO CS(=O)(=O)c1c[nH]nc1[C@H]1CCC[N@@H+](Cc2ccc3cc[nH]c3c2)C1 ZINC000257298914 533467296 /nfs/dbraw/zinc/46/72/96/533467296.db2.gz RNVLOFDJBKQPNO-HNNXBMFYSA-N 1 2 358.467 2.674 40 0 FFABLO COc1cccc(Nc2cc(-c3ccccc3)[nH+]c(NCCCO)n2)c1 ZINC000329006834 533592250 /nfs/dbraw/zinc/59/22/50/533592250.db2.gz LGSCDPPRUYCSKQ-UHFFFAOYSA-N 1 2 350.422 2.534 40 0 FFABLO Cc1oncc1C(=O)N1Cc2[nH+]cn(C)c2[C@H](COCC2CCCC2)C1 ZINC000096068651 222010741 /nfs/dbraw/zinc/01/07/41/222010741.db2.gz XHGWKRBBBXMHBE-HNNXBMFYSA-N 1 2 358.442 2.663 40 0 FFABLO COC[C@@H]1c2c(cnn2CC2CC2)CC[N@H+]1Cc1ccc2c(c1)OCO2 ZINC000096197859 222072897 /nfs/dbraw/zinc/07/28/97/222072897.db2.gz HDOQNRHSVKPHFW-QGZVFWFLSA-N 1 2 355.438 2.768 40 0 FFABLO COC[C@@H]1c2c(cnn2CC2CC2)CC[N@@H+]1Cc1ccc2c(c1)OCO2 ZINC000096197859 222072900 /nfs/dbraw/zinc/07/29/00/222072900.db2.gz HDOQNRHSVKPHFW-QGZVFWFLSA-N 1 2 355.438 2.768 40 0 FFABLO CO[C@H]1CCN(Cc2ccccn2)[C@@H]2C[N@H+](Cc3csc(C)n3)C[C@@H]21 ZINC000096217281 222081069 /nfs/dbraw/zinc/08/10/69/222081069.db2.gz PWQDPCBNZVEOLL-OTWHNJEPSA-N 1 2 358.511 2.568 40 0 FFABLO CO[C@H]1CCN(Cc2ccccn2)[C@@H]2C[N@@H+](Cc3csc(C)n3)C[C@@H]21 ZINC000096217281 222081074 /nfs/dbraw/zinc/08/10/74/222081074.db2.gz PWQDPCBNZVEOLL-OTWHNJEPSA-N 1 2 358.511 2.568 40 0 FFABLO O=C(Nc1nc2ccccc2n1CC[NH+]1CCOCC1)NC1CCCCC1 ZINC000032609618 506269816 /nfs/dbraw/zinc/26/98/16/506269816.db2.gz SXOXZBKIORFCAE-UHFFFAOYSA-N 1 2 371.485 2.823 40 0 FFABLO CNc1ccc(-c2noc([C@@H]3CCC[N@@H+]3Cc3ccc(CO)o3)n2)cn1 ZINC000035426117 506384476 /nfs/dbraw/zinc/38/44/76/506384476.db2.gz KDYBNVUEOSRPBL-HNNXBMFYSA-N 1 2 355.398 2.596 40 0 biogenic,in-vitro FFABLO CNc1ccc(-c2noc([C@@H]3CCC[N@H+]3Cc3ccc(CO)o3)n2)cn1 ZINC000035426117 506384487 /nfs/dbraw/zinc/38/44/87/506384487.db2.gz KDYBNVUEOSRPBL-HNNXBMFYSA-N 1 2 355.398 2.596 40 0 biogenic,in-vitro FFABLO Cc1ccccc1C(=O)NC1CC[NH+](CC(=O)Nc2cccc(F)c2)CC1 ZINC000004909862 506403548 /nfs/dbraw/zinc/40/35/48/506403548.db2.gz YNAUPCHCJRIVAQ-UHFFFAOYSA-N 1 2 369.440 2.967 40 0 FFABLO CC(=O)N(C)c1ccc(OC[C@@H](O)Cn2c(C)[nH+]c3ccccc32)cc1 ZINC000004906754 506404227 /nfs/dbraw/zinc/40/42/27/506404227.db2.gz ALBCGFNSGBVSSE-KRWDZBQOSA-N 1 2 353.422 2.767 40 0 FFABLO Cc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@@H](C(=O)c2ccccc2)[N@H+]2CCC[C@@H]32)cc1 ZINC000009319338 506688771 /nfs/dbraw/zinc/68/87/71/506688771.db2.gz OMZRRIFLLAJNSQ-HAGHYFMRSA-N 1 2 374.440 2.830 40 0 FFABLO Cc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@@H](C(=O)c2ccccc2)[N@@H+]2CCC[C@@H]32)cc1 ZINC000009319338 506688777 /nfs/dbraw/zinc/68/87/77/506688777.db2.gz OMZRRIFLLAJNSQ-HAGHYFMRSA-N 1 2 374.440 2.830 40 0 FFABLO Cn1cc[nH+]c1[C@@H](NC(=O)Cc1cccc(O)c1)c1ccc(F)c(F)c1 ZINC000012115029 506816875 /nfs/dbraw/zinc/81/68/75/506816875.db2.gz XZVDRWUZXVVIHM-SFHVURJKSA-N 1 2 357.360 2.852 40 0 FFABLO COc1cccc(C[N@@H+]2CCc3c(nc(N4CCC[C@@H](C)C4)[nH]c3=O)C2)c1 ZINC000012184732 506828979 /nfs/dbraw/zinc/82/89/79/506828979.db2.gz OLBGMLWELKULIE-OAHLLOKOSA-N 1 2 368.481 2.573 40 0 FFABLO COc1cccc(C[N@H+]2CCc3c(nc(N4CCC[C@@H](C)C4)[nH]c3=O)C2)c1 ZINC000012184732 506828987 /nfs/dbraw/zinc/82/89/87/506828987.db2.gz OLBGMLWELKULIE-OAHLLOKOSA-N 1 2 368.481 2.573 40 0 FFABLO C[C@@H]1CCCN(c2nc3c(c(=O)[nH]2)C[N@H+](Cc2c(F)cccc2F)CC3)C1 ZINC000012183124 506830234 /nfs/dbraw/zinc/83/02/34/506830234.db2.gz SRTODJWPLZHZBG-CYBMUJFWSA-N 1 2 374.435 2.843 40 0 FFABLO C[C@@H]1CCCN(c2nc3c(c(=O)[nH]2)C[N@@H+](Cc2c(F)cccc2F)CC3)C1 ZINC000012183124 506830246 /nfs/dbraw/zinc/83/02/46/506830246.db2.gz SRTODJWPLZHZBG-CYBMUJFWSA-N 1 2 374.435 2.843 40 0 FFABLO COc1cccc(C[N@@H+]2CCc3c(nc(N4CCCC[C@H]4C)[nH]c3=O)C2)c1 ZINC000072347316 507777915 /nfs/dbraw/zinc/77/79/15/507777915.db2.gz VIRQGCUQQVZZNV-OAHLLOKOSA-N 1 2 368.481 2.716 40 0 FFABLO COc1cccc(C[N@H+]2CCc3c(nc(N4CCCC[C@H]4C)[nH]c3=O)C2)c1 ZINC000072347316 507777919 /nfs/dbraw/zinc/77/79/19/507777919.db2.gz VIRQGCUQQVZZNV-OAHLLOKOSA-N 1 2 368.481 2.716 40 0 FFABLO O=C(Cc1ccc(F)cc1)N1CCC[C@@H]1c1cncc(-n2cc[nH+]c2)n1 ZINC000072378474 507780969 /nfs/dbraw/zinc/78/09/69/507780969.db2.gz GDXVMJJRRDABJO-QGZVFWFLSA-N 1 2 351.385 2.708 40 0 FFABLO O=C(NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1)c1cn[nH]n1 ZINC000108997045 507930979 /nfs/dbraw/zinc/93/09/79/507930979.db2.gz UJWXYENWMWEYOB-UHFFFAOYSA-N 1 2 354.241 2.506 40 0 FFABLO O=C(NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1)c1cnn[nH]1 ZINC000108997045 507930980 /nfs/dbraw/zinc/93/09/80/507930980.db2.gz UJWXYENWMWEYOB-UHFFFAOYSA-N 1 2 354.241 2.506 40 0 FFABLO CCOc1ccc([C@@H]([NH3+])c2nnc(-c3cccc(OC)c3)[nH]2)cc1OC ZINC000095534235 508197774 /nfs/dbraw/zinc/19/77/74/508197774.db2.gz WFLGEEBUVFNTDF-QGZVFWFLSA-N 1 2 354.410 2.936 40 0 FFABLO Cc1ccc(C[N@@H+]2Cc3ncn(C)c3[C@H](COCC3CCOCC3)C2)o1 ZINC000096044976 508203876 /nfs/dbraw/zinc/20/38/76/508203876.db2.gz GDIHGFNDFAOOMT-KRWDZBQOSA-N 1 2 359.470 2.864 40 0 FFABLO Cc1ccc(C[N@H+]2Cc3ncn(C)c3[C@H](COCC3CCOCC3)C2)o1 ZINC000096044976 508203878 /nfs/dbraw/zinc/20/38/78/508203878.db2.gz GDIHGFNDFAOOMT-KRWDZBQOSA-N 1 2 359.470 2.864 40 0 FFABLO Cc1ccc(CN2Cc3[nH+]cn(C)c3[C@H](COCC3CCOCC3)C2)o1 ZINC000096044976 508203879 /nfs/dbraw/zinc/20/38/79/508203879.db2.gz GDIHGFNDFAOOMT-KRWDZBQOSA-N 1 2 359.470 2.864 40 0 FFABLO CC(C)CCC(=O)N1Cc2c[nH+]cn2[C@@H](C(=O)NCc2cccs2)C1 ZINC000585096192 518533036 /nfs/dbraw/zinc/53/30/36/518533036.db2.gz XRQRWQZQLQLHFV-MRXNPFEDSA-N 1 2 360.483 2.581 40 0 FFABLO C[C@H]1c2[nH+]cc(CCOCC3CC3)n2CCN1Cc1ccc(CO)cc1 ZINC000585097005 518533220 /nfs/dbraw/zinc/53/32/20/518533220.db2.gz DMZWWZHMSFOCPX-INIZCTEOSA-N 1 2 355.482 2.921 40 0 FFABLO Cc1ccc2[nH+]cc(-c3cccc([C@@H]4CCCN(S(C)(=O)=O)C4)n3)n2c1 ZINC000585262782 518550106 /nfs/dbraw/zinc/55/01/06/518550106.db2.gz FNWUHMYBUQLAFY-OAHLLOKOSA-N 1 2 370.478 2.844 40 0 FFABLO CC(=O)N[C@@H]1CCCC[C@]12C[N@H+](Cc1cc(F)c(O)c(Cl)c1)CCO2 ZINC000306141541 526844570 /nfs/dbraw/zinc/84/45/70/526844570.db2.gz VZMVIBHWIZTVGA-AEFFLSMTSA-N 1 2 370.852 2.834 40 0 FFABLO CC(=O)N[C@@H]1CCCC[C@]12C[N@@H+](Cc1cc(F)c(O)c(Cl)c1)CCO2 ZINC000306141541 526844576 /nfs/dbraw/zinc/84/45/76/526844576.db2.gz VZMVIBHWIZTVGA-AEFFLSMTSA-N 1 2 370.852 2.834 40 0 FFABLO O=C(Cc1ccccc1)O[C@@H](COCc1ccccc1)C[NH+]1CCOCC1 ZINC000020789751 527283156 /nfs/dbraw/zinc/28/31/56/527283156.db2.gz YPZJFYZQSUBLFQ-OAQYLSRUSA-N 1 2 369.461 2.690 40 0 FFABLO CC(C)n1cc2c(n1)C1(CC[NH+](Cc3nccs3)CC1)CN(C)C2=O ZINC000306143178 528578867 /nfs/dbraw/zinc/57/88/67/528578867.db2.gz XVESXGUTSSEFIY-UHFFFAOYSA-N 1 2 359.499 2.540 40 0 FFABLO COCC[NH+]1CCN(C(=O)c2sc(-c3ccc(F)cc3)nc2C)CC1 ZINC000194533245 222621391 /nfs/dbraw/zinc/62/13/91/222621391.db2.gz UTUUHDDPQWYZFA-UHFFFAOYSA-N 1 2 363.458 2.662 40 0 FFABLO CNc1nc(NCc2ccc(Br)cc2)cc(-c2cccnc2)[nH+]1 ZINC000329032196 529833460 /nfs/dbraw/zinc/83/34/60/529833460.db2.gz QMEJKBXWKOSQFF-UHFFFAOYSA-N 1 2 370.254 2.799 40 0 FFABLO Cc1cc(=O)[nH]c([C@@H]2C[N@H+](Cc3c[nH]nc3-c3cccs3)CCO2)n1 ZINC000257235280 223031745 /nfs/dbraw/zinc/03/17/45/223031745.db2.gz GXDRFQZKQALUTL-ZDUSSCGKSA-N 1 2 357.439 2.516 40 0 FFABLO Cc1cc(=O)[nH]c([C@@H]2C[N@@H+](Cc3c[nH]nc3-c3cccs3)CCO2)n1 ZINC000257235280 223031749 /nfs/dbraw/zinc/03/17/49/223031749.db2.gz GXDRFQZKQALUTL-ZDUSSCGKSA-N 1 2 357.439 2.516 40 0 FFABLO COc1ncc(C[N@@H+]2CCC[C@H]2c2ccnc(Nc3cnccn3)c2)cn1 ZINC000257307089 223059473 /nfs/dbraw/zinc/05/94/73/223059473.db2.gz SXDYXMDIECXGLU-INIZCTEOSA-N 1 2 363.425 2.751 40 0 FFABLO COc1ncc(C[N@H+]2CCC[C@H]2c2ccnc(Nc3cnccn3)c2)cn1 ZINC000257307089 223059476 /nfs/dbraw/zinc/05/94/76/223059476.db2.gz SXDYXMDIECXGLU-INIZCTEOSA-N 1 2 363.425 2.751 40 0 FFABLO CCn1cc(C[N@@H+]2CCO[C@@H](c3cccc(-c4cnn(C)c4)n3)C2)c(C)n1 ZINC000257335979 223071221 /nfs/dbraw/zinc/07/12/21/223071221.db2.gz YMQIWVXCNYXJGI-HXUWFJFHSA-N 1 2 366.469 2.580 40 0 FFABLO CCn1cc(C[N@H+]2CCO[C@@H](c3cccc(-c4cnn(C)c4)n3)C2)c(C)n1 ZINC000257335979 223071224 /nfs/dbraw/zinc/07/12/24/223071224.db2.gz YMQIWVXCNYXJGI-HXUWFJFHSA-N 1 2 366.469 2.580 40 0 FFABLO O=C(Cn1cc[nH+]c1)N1CCC[C@H](c2ncc(Cc3ccccc3)o2)C1 ZINC000257344213 223073531 /nfs/dbraw/zinc/07/35/31/223073531.db2.gz ZWEDEDYHVVLOBZ-KRWDZBQOSA-N 1 2 350.422 2.868 40 0 FFABLO Cc1nc(C(=O)N2CC[C@@]3(Cc4[nH+]cc(-c5cccnc5)n4C3)C2)cs1 ZINC000306127186 223106571 /nfs/dbraw/zinc/10/65/71/223106571.db2.gz FRCSCMSGDCCGIH-LJQANCHMSA-N 1 2 365.462 2.799 40 0 FFABLO Cc1nc(C)n(CC(=O)N2CCC[C@@H](c3[nH+]c(C)n4c(C)csc34)C2)n1 ZINC000019240426 220243838 /nfs/dbraw/zinc/24/38/38/220243838.db2.gz KLSXMCXXFDVXEK-OAHLLOKOSA-N 1 2 372.498 2.627 40 0 FFABLO CC(C)N(Cc1ccccc1)C(=O)C[NH+]1CCN(Cc2ccccn2)CC1 ZINC000019447613 220258073 /nfs/dbraw/zinc/25/80/73/220258073.db2.gz OCRBUHIPRIQWKM-UHFFFAOYSA-N 1 2 366.509 2.636 40 0 FFABLO CC(C)N(Cc1ccccc1)C(=O)CN1CC[NH+](Cc2ccccn2)CC1 ZINC000019447613 220258078 /nfs/dbraw/zinc/25/80/78/220258078.db2.gz OCRBUHIPRIQWKM-UHFFFAOYSA-N 1 2 366.509 2.636 40 0 FFABLO CNc1cc([C@@H]2CCCN(C(=O)Cc3ccc4c(c3)OCO4)C2)cc[nH+]1 ZINC000257336395 533053730 /nfs/dbraw/zinc/05/37/30/533053730.db2.gz YOFKDVNEQFZKEQ-MRXNPFEDSA-N 1 2 353.422 2.801 40 0 FFABLO CCn1cc(-c2c[nH+]cn2[C@H]2CC(=O)N(c3ccc(OC)cc3)C2)cn1 ZINC000019719583 220291697 /nfs/dbraw/zinc/29/16/97/220291697.db2.gz ZDWFYFQOTLEVQZ-INIZCTEOSA-N 1 2 351.410 2.753 40 0 FFABLO COC(C)(C)C(=O)N1CCC[C@H](c2ccc(-c3ccc(N)[nH+]c3)cn2)C1 ZINC000019689253 220285750 /nfs/dbraw/zinc/28/57/50/220285750.db2.gz GCSIRGQWNHIQNR-INIZCTEOSA-N 1 2 354.454 2.857 40 0 FFABLO Cc1onc(-c2ccc(Cl)cc2)c1C(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000019718262 220289647 /nfs/dbraw/zinc/28/96/47/220289647.db2.gz LLWTWYMOAMRZQI-GFCCVEGCSA-N 1 2 363.845 2.754 40 0 FFABLO COc1ccc(CC(=O)Nc2c[nH+]c(N3CCCCC3)nc2N(C)C)cc1 ZINC000224356136 132282941 /nfs/dbraw/zinc/28/29/41/132282941.db2.gz XFBSPMHDYHLVST-UHFFFAOYSA-N 1 2 369.469 2.723 40 0 FFABLO c1csc(CN2Cc3[nH+]ccn3C[C@@H](COCc3cccnc3)C2)n1 ZINC000096059145 222007142 /nfs/dbraw/zinc/00/71/42/222007142.db2.gz FPODUNACVIQHCY-INIZCTEOSA-N 1 2 355.467 2.583 40 0 FFABLO CCc1ccc(C(=O)N2CCCn3nnc(C[NH+]4CCCCC4)c3C2)cc1 ZINC000096259571 222103235 /nfs/dbraw/zinc/10/32/35/222103235.db2.gz QIHFSERATOPYLN-UHFFFAOYSA-N 1 2 367.497 2.873 40 0 FFABLO CC[N@@H+]1CCn2c(C)cnc2C12CCN(C(=O)c1ccc(OC)cc1)CC2 ZINC000096145014 222047978 /nfs/dbraw/zinc/04/79/78/222047978.db2.gz DABXVQXNDGBDQZ-UHFFFAOYSA-N 1 2 368.481 2.667 40 0 FFABLO CC[N@H+]1CCn2c(C)cnc2C12CCN(C(=O)c1ccc(OC)cc1)CC2 ZINC000096145014 222047982 /nfs/dbraw/zinc/04/79/82/222047982.db2.gz DABXVQXNDGBDQZ-UHFFFAOYSA-N 1 2 368.481 2.667 40 0 FFABLO CCN1CCn2c(C)c[nH+]c2C12CCN(C(=O)c1ccc(OC)cc1)CC2 ZINC000096145014 222047986 /nfs/dbraw/zinc/04/79/86/222047986.db2.gz DABXVQXNDGBDQZ-UHFFFAOYSA-N 1 2 368.481 2.667 40 0 FFABLO Cn1ncc2c1[C@@H](COCC1CC1)[N@H+](Cc1ccc3c(c1)OCO3)CC2 ZINC000096197773 222073322 /nfs/dbraw/zinc/07/33/22/222073322.db2.gz JHFXDPGKSSFAJA-QGZVFWFLSA-N 1 2 355.438 2.675 40 0 FFABLO Cn1ncc2c1[C@@H](COCC1CC1)[N@@H+](Cc1ccc3c(c1)OCO3)CC2 ZINC000096197773 222073324 /nfs/dbraw/zinc/07/33/24/222073324.db2.gz JHFXDPGKSSFAJA-QGZVFWFLSA-N 1 2 355.438 2.675 40 0 FFABLO CN1c2ccccc2C[C@@H](C(=O)OCC[NH+]2CCOCC2)c2ccccc21 ZINC000033665916 506361821 /nfs/dbraw/zinc/36/18/21/506361821.db2.gz FHJDFHYSUCGJKK-LJQANCHMSA-N 1 2 366.461 2.970 40 0 FFABLO Cc1ccc(N2C(=O)C[C@H]([NH+]3CCN(c4ccccc4)CC3)C2=O)cc1C ZINC000036633929 506410282 /nfs/dbraw/zinc/41/02/82/506410282.db2.gz KMVKNTPMMBRNOO-FQEVSTJZSA-N 1 2 363.461 2.758 40 0 FFABLO COc1ccc(O[C@@H](C)C(=O)NCc2ccccc2-n2cc[nH+]c2)cc1 ZINC000038755595 506444105 /nfs/dbraw/zinc/44/41/05/506444105.db2.gz SJJROIPBKCBZJY-HNNXBMFYSA-N 1 2 351.406 2.965 40 0 FFABLO O=c1[nH]c(-c2ccccn2)nc2c1CC[N@H+](Cc1c[nH]c3ccccc13)C2 ZINC000012120675 506819515 /nfs/dbraw/zinc/81/95/15/506819515.db2.gz FGPRRGGUDRJSFD-UHFFFAOYSA-N 1 2 357.417 2.872 40 0 FFABLO O=c1[nH]c(-c2ccccn2)nc2c1CC[N@@H+](Cc1c[nH]c3ccccc13)C2 ZINC000012120675 506819518 /nfs/dbraw/zinc/81/95/18/506819518.db2.gz FGPRRGGUDRJSFD-UHFFFAOYSA-N 1 2 357.417 2.872 40 0 FFABLO CCn1cc(C[N@@H+]2CCc3nc4cc(C(C)(C)C)[nH]n4c(=O)c3C2)c(C)n1 ZINC000012325255 506849905 /nfs/dbraw/zinc/84/99/05/506849905.db2.gz XLNFCPAYGXDXQJ-UHFFFAOYSA-N 1 2 368.485 2.816 40 0 FFABLO CCn1cc(C[N@H+]2CCc3nc4cc(C(C)(C)C)[nH]n4c(=O)c3C2)c(C)n1 ZINC000012325255 506849908 /nfs/dbraw/zinc/84/99/08/506849908.db2.gz XLNFCPAYGXDXQJ-UHFFFAOYSA-N 1 2 368.485 2.816 40 0 FFABLO CN(C)c1nc(N2CCCC2)[nH+]cc1NC(=O)Cc1c[nH]c2ccccc12 ZINC000224353285 509356881 /nfs/dbraw/zinc/35/68/81/509356881.db2.gz AJHVRVBUOHIEGX-UHFFFAOYSA-N 1 2 364.453 2.805 40 0 FFABLO COc1ccc(OC)c(NC(=S)N2CC[NH+](Cc3ccccn3)CC2)c1 ZINC000225225268 509367519 /nfs/dbraw/zinc/36/75/19/509367519.db2.gz JGKQXKXSOWUSJC-UHFFFAOYSA-N 1 2 372.494 2.613 40 0 FFABLO O=C1C[C@H]([N@H+]2CCCC[C@H]2CCO)C(=O)N1c1cc(Cl)ccc1Cl ZINC000250759039 509804092 /nfs/dbraw/zinc/80/40/92/509804092.db2.gz OFHJHRCTFAQVMW-WFASDCNBSA-N 1 2 371.264 2.862 40 0 FFABLO O=C1C[C@H]([N@@H+]2CCCC[C@H]2CCO)C(=O)N1c1cc(Cl)ccc1Cl ZINC000250759039 509804099 /nfs/dbraw/zinc/80/40/99/509804099.db2.gz OFHJHRCTFAQVMW-WFASDCNBSA-N 1 2 371.264 2.862 40 0 FFABLO C[C@]12CCC(=O)N1[C@@H]1CCCC[C@H]1[N@@H+]2Cc1ccnc(N2CCCC2)n1 ZINC000253591010 509899204 /nfs/dbraw/zinc/89/92/04/509899204.db2.gz MZVMLDYPOWALEQ-MBOZVWFJSA-N 1 2 355.486 2.542 40 0 FFABLO C[C@]12CCC(=O)N1[C@@H]1CCCC[C@H]1[N@H+]2Cc1ccnc(N2CCCC2)n1 ZINC000253591010 509899209 /nfs/dbraw/zinc/89/92/09/509899209.db2.gz MZVMLDYPOWALEQ-MBOZVWFJSA-N 1 2 355.486 2.542 40 0 FFABLO Cc1cnc(NCC[C@H]2CCOC23C[NH+](Cc2cccc(C)n2)C3)nc1 ZINC000253600380 509901273 /nfs/dbraw/zinc/90/12/73/509901273.db2.gz MJVOZIPYFNUGQS-KRWDZBQOSA-N 1 2 353.470 2.582 40 0 FFABLO COc1ccc([C@@H]2Nc3ccccc3-c3c(=O)[nH]c(SC)n[n+]32)cc1O ZINC000261361652 509984844 /nfs/dbraw/zinc/98/48/44/509984844.db2.gz BBHKDJRQNGORHD-MRXNPFEDSA-O 1 2 369.426 2.545 40 0 FFABLO CCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N[C@@H]2c1cccc(O)c1 ZINC000261362004 509985815 /nfs/dbraw/zinc/98/58/15/509985815.db2.gz BSSKSMLBPQJGSL-INIZCTEOSA-O 1 2 353.427 2.927 40 0 FFABLO OCCCNc1cc(N2CCc3ccc(Br)cc3C2)nc[nH+]1 ZINC000329032781 511971099 /nfs/dbraw/zinc/97/10/99/511971099.db2.gz QPUVBTDUJNEVMC-UHFFFAOYSA-N 1 2 363.259 2.596 40 0 FFABLO OCCCNc1cc(N2CCc3ccc(Br)cc3C2)[nH+]cn1 ZINC000329032781 511971100 /nfs/dbraw/zinc/97/11/00/511971100.db2.gz QPUVBTDUJNEVMC-UHFFFAOYSA-N 1 2 363.259 2.596 40 0 FFABLO C[C@@H](CO)Nc1nc(Nc2cc(Cl)c(O)c(Cl)c2)cc(C2CC2)[nH+]1 ZINC000329034849 534128961 /nfs/dbraw/zinc/12/89/61/534128961.db2.gz RBCSHCRHRRHSGY-QMMMGPOBSA-N 1 2 369.252 2.747 40 0 FFABLO C[C@@H]1c2[nH+]cc(CCOCC3CC3)n2CCN1Cc1ccc(CO)cc1 ZINC000585097006 518533773 /nfs/dbraw/zinc/53/37/73/518533773.db2.gz DMZWWZHMSFOCPX-MRXNPFEDSA-N 1 2 355.482 2.921 40 0 FFABLO COc1ncccc1C[NH+]1CC2(C1)C[C@H](OCc1cccnc1)CS2 ZINC000585104762 518541141 /nfs/dbraw/zinc/54/11/41/518541141.db2.gz MDAJROGEAUWBGT-KRWDZBQOSA-N 1 2 357.479 2.762 40 0 FFABLO CN(C)c1ccc(C(=O)N2CCc3[nH+]cc(-c4cccnc4)n3CC2)cc1 ZINC000585111036 518542944 /nfs/dbraw/zinc/54/29/44/518542944.db2.gz BARRRCDFORMHDW-UHFFFAOYSA-N 1 2 361.449 2.710 40 0 FFABLO COc1ccc(Nc2cc(C3CC3)[nH+]c(N[C@@H](CO)C(C)C)n2)c(OC)c1 ZINC000328991023 571133881 /nfs/dbraw/zinc/13/38/81/571133881.db2.gz IRPOHGFHNOKMEH-KRWDZBQOSA-N 1 2 372.469 3.544 40 0 FFABLO Cc1nc(Nc2ccccn2)cc([C@H]2CCCC[N@H+]2CC(=O)N(C)C)n1 ZINC000072382732 571188384 /nfs/dbraw/zinc/18/83/84/571188384.db2.gz DLPGXISJWFONFH-MRXNPFEDSA-N 1 2 354.458 2.539 40 0 FFABLO Cc1nc(Nc2ccccn2)cc([C@H]2CCCC[N@@H+]2CC(=O)N(C)C)n1 ZINC000072382732 571188385 /nfs/dbraw/zinc/18/83/85/571188385.db2.gz DLPGXISJWFONFH-MRXNPFEDSA-N 1 2 354.458 2.539 40 0 FFABLO Cc1noc(C)c1-c1ccnc(C2CCN(C(=O)Cn3cc[nH+]c3)CC2)c1 ZINC000257203014 223017455 /nfs/dbraw/zinc/01/74/55/223017455.db2.gz AOHOXWKIBKQNKU-UHFFFAOYSA-N 1 2 365.437 2.956 40 0 FFABLO Cc1nc(Nc2ncccn2)cc([C@H]2CCCC[N@@H+]2Cc2cc[nH]n2)n1 ZINC000257213748 223021095 /nfs/dbraw/zinc/02/10/95/223021095.db2.gz CIXSRZNGXRDYQJ-MRXNPFEDSA-N 1 2 350.430 2.769 40 0 FFABLO Cc1nc(Nc2ncccn2)cc([C@H]2CCCC[N@H+]2Cc2cc[nH]n2)n1 ZINC000257213748 223021097 /nfs/dbraw/zinc/02/10/97/223021097.db2.gz CIXSRZNGXRDYQJ-MRXNPFEDSA-N 1 2 350.430 2.769 40 0 FFABLO Cc1ncc(C[N@@H+]2CCO[C@@H](c3cccc(-c4cnn(C)c4)n3)C2)s1 ZINC000257243571 223034544 /nfs/dbraw/zinc/03/45/44/223034544.db2.gz IHPCHFXNFDGCBA-GOSISDBHSA-N 1 2 355.467 2.821 40 0 FFABLO Cc1ncc(C[N@H+]2CCO[C@@H](c3cccc(-c4cnn(C)c4)n3)C2)s1 ZINC000257243571 223034547 /nfs/dbraw/zinc/03/45/47/223034547.db2.gz IHPCHFXNFDGCBA-GOSISDBHSA-N 1 2 355.467 2.821 40 0 FFABLO Cn1nccc1C[N@@H+]1CCC[C@@H]1c1cccc(C(=O)Nc2nccs2)n1 ZINC000257254260 223038231 /nfs/dbraw/zinc/03/82/31/223038231.db2.gz KCIZOCIYYGFLBG-MRXNPFEDSA-N 1 2 368.466 2.861 40 0 FFABLO Cn1nccc1C[N@H+]1CCC[C@@H]1c1cccc(C(=O)Nc2nccs2)n1 ZINC000257254260 223038234 /nfs/dbraw/zinc/03/82/34/223038234.db2.gz KCIZOCIYYGFLBG-MRXNPFEDSA-N 1 2 368.466 2.861 40 0 FFABLO NC(=O)c1sc2c(c1N)=C(c1ccco1)[C@H]1CCCCCCC[C@@H]1[NH+]=2 ZINC000261508255 223075956 /nfs/dbraw/zinc/07/59/56/223075956.db2.gz QWEPOPBXBLFBTC-RYUDHWBXSA-N 1 2 357.479 2.584 40 0 FFABLO Cn1ccc(C(=O)N2CC[C@@]3(Cc4[nH+]cc(-c5ccc(F)cc5)n4C3)C2)n1 ZINC000306142323 223112872 /nfs/dbraw/zinc/11/28/72/223112872.db2.gz WVZSEDFOGKLAMG-HXUWFJFHSA-N 1 2 365.412 2.511 40 0 FFABLO C[C@H](CO)Nc1nc(Nc2ccc(O)cc2Cl)cc(-c2ccccc2)[nH+]1 ZINC000329055338 223130835 /nfs/dbraw/zinc/13/08/35/223130835.db2.gz VMVBVWRSMKXPEF-GFCCVEGCSA-N 1 2 370.840 2.883 40 0 FFABLO CC(C)(C)Oc1ccccc1Nc1nc(NCCO)[nH+]c(N2CCCC2)n1 ZINC000013829544 220097199 /nfs/dbraw/zinc/09/71/99/220097199.db2.gz YLYZGVPSUIZOCY-UHFFFAOYSA-N 1 2 372.473 2.797 40 0 FFABLO COc1ncc(C(=O)N2CCC(c3[nH+]c(C)n4ccsc34)CC2)cn1 ZINC000019240821 220243971 /nfs/dbraw/zinc/24/39/71/220243971.db2.gz AABSTWCOLWSFRA-UHFFFAOYSA-N 1 2 357.439 2.523 40 0 FFABLO O=c1[nH]c(-c2cccnc2)nc2c1CC[N@H+](Cc1ccc3ccccc3n1)C2 ZINC000019376336 220255660 /nfs/dbraw/zinc/25/56/60/220255660.db2.gz XCUABONBSMPXNT-UHFFFAOYSA-N 1 2 369.428 2.938 40 0 FFABLO O=c1[nH]c(-c2cccnc2)nc2c1CC[N@@H+](Cc1ccc3ccccc3n1)C2 ZINC000019376336 220255665 /nfs/dbraw/zinc/25/56/65/220255665.db2.gz XCUABONBSMPXNT-UHFFFAOYSA-N 1 2 369.428 2.938 40 0 FFABLO CNc1cc([C@@H]2CCC[N@H+](Cc3ccccc3OCC(=O)[O-])C2)cc[nH+]1 ZINC000257292568 533053558 /nfs/dbraw/zinc/05/35/58/533053558.db2.gz QMDDYLFNTFPIFK-MRXNPFEDSA-N 1 2 355.438 2.966 40 0 FFABLO CNc1cc([C@@H]2CCC[N@@H+](Cc3ccccc3OCC(=O)[O-])C2)cc[nH+]1 ZINC000257292568 533053563 /nfs/dbraw/zinc/05/35/63/533053563.db2.gz QMDDYLFNTFPIFK-MRXNPFEDSA-N 1 2 355.438 2.966 40 0 FFABLO C[N@@H+]1CCCC[C@@H]1c1nnc2n1CCN(C(=O)CC1CCCCC1)CC2 ZINC000019706114 220285287 /nfs/dbraw/zinc/28/52/87/220285287.db2.gz YMLUWAAYIAUIMZ-QGZVFWFLSA-N 1 2 359.518 2.790 40 0 FFABLO C[N@H+]1CCCC[C@@H]1c1nnc2n1CCN(C(=O)CC1CCCCC1)CC2 ZINC000019706114 220285293 /nfs/dbraw/zinc/28/52/93/220285293.db2.gz YMLUWAAYIAUIMZ-QGZVFWFLSA-N 1 2 359.518 2.790 40 0 FFABLO CS(=O)(=O)c1c[nH]nc1[C@H]1CCC[N@H+](Cc2ccc3[nH]ccc3c2)C1 ZINC000257323386 533467695 /nfs/dbraw/zinc/46/76/95/533467695.db2.gz WJYFEQZGVMKARI-HNNXBMFYSA-N 1 2 358.467 2.674 40 0 FFABLO CS(=O)(=O)c1c[nH]nc1[C@H]1CCC[N@@H+](Cc2ccc3[nH]ccc3c2)C1 ZINC000257323386 533467697 /nfs/dbraw/zinc/46/76/97/533467697.db2.gz WJYFEQZGVMKARI-HNNXBMFYSA-N 1 2 358.467 2.674 40 0 FFABLO O=C(c1ccc(F)cc1)N1CCC2(CC1)CN(c1cccc[nH+]1)CCO2 ZINC000096158998 132221162 /nfs/dbraw/zinc/22/11/62/132221162.db2.gz LSZVBYKCUZVOFL-UHFFFAOYSA-N 1 2 355.413 2.732 40 0 FFABLO OCCCNc1cc(N2CCc3cc(OC(F)(F)F)ccc3C2)nc[nH+]1 ZINC000328966961 132371894 /nfs/dbraw/zinc/37/18/94/132371894.db2.gz CPTCSVMBFKLCRI-UHFFFAOYSA-N 1 2 368.359 2.732 40 0 FFABLO OCCCNc1cc(N2CCc3cc(OC(F)(F)F)ccc3C2)[nH+]cn1 ZINC000328966961 132371895 /nfs/dbraw/zinc/37/18/95/132371895.db2.gz CPTCSVMBFKLCRI-UHFFFAOYSA-N 1 2 368.359 2.732 40 0 FFABLO C[C@H]1CCCC[C@H]1NC(=O)CN1c2ccccc2C2=[NH+]CCCN2C1=O ZINC000072335721 136144658 /nfs/dbraw/zinc/14/46/58/136144658.db2.gz NVCFNXVPWHHNSD-GOEBONIOSA-N 1 2 354.454 2.774 40 0 FFABLO Cn1nnc2c1[C@H](COCc1ccncc1)C[N@H+](Cc1cccs1)C2 ZINC000096060741 222007905 /nfs/dbraw/zinc/00/79/05/222007905.db2.gz MYBXMKQMAYFFDC-HNNXBMFYSA-N 1 2 355.467 2.588 40 0 FFABLO Cn1nnc2c1[C@H](COCc1ccncc1)C[N@@H+](Cc1cccs1)C2 ZINC000096060741 222007911 /nfs/dbraw/zinc/00/79/11/222007911.db2.gz MYBXMKQMAYFFDC-HNNXBMFYSA-N 1 2 355.467 2.588 40 0 FFABLO CCOC[C@H]1Cn2c[nH+]cc2CN(C(=O)c2cn(C)c3ccccc23)C1 ZINC000096208166 222078304 /nfs/dbraw/zinc/07/83/04/222078304.db2.gz KIJRKWMHYJHMLN-OAHLLOKOSA-N 1 2 352.438 2.684 40 0 FFABLO Cc1ncoc1C(=O)N1CC[C@@]2(C1)CCC[C@@H](CNc1cccc[nH+]1)O2 ZINC000096209934 222080557 /nfs/dbraw/zinc/08/05/57/222080557.db2.gz XYASDIOFJSLXEI-HNAYVOBHSA-N 1 2 356.426 2.644 40 0 FFABLO O=C(NCC1CC1)C1=NO[C@@]2(CC[N@@H+](Cc3ccc(Cl)c(F)c3)C2)C1 ZINC000096225502 222087337 /nfs/dbraw/zinc/08/73/37/222087337.db2.gz VWCDXIFMHLOEMW-SFHVURJKSA-N 1 2 365.836 2.726 40 0 FFABLO O=C(NCC1CC1)C1=NO[C@@]2(CC[N@H+](Cc3ccc(Cl)c(F)c3)C2)C1 ZINC000096225502 222087339 /nfs/dbraw/zinc/08/73/39/222087339.db2.gz VWCDXIFMHLOEMW-SFHVURJKSA-N 1 2 365.836 2.726 40 0 FFABLO Nc1ccc(C(=O)Oc2cccc(OC(=O)[C@@H]3C=CC([NH3+])=CC3)c2)cc1 ZINC000101005192 222259050 /nfs/dbraw/zinc/25/90/50/222259050.db2.gz XYJRLPHSZUNGAC-CQSZACIVSA-N 1 2 350.374 2.812 40 0 FFABLO COc1cccc(C[N@@H+]2CCN(C(=O)c3cnn(C(C)C)c3)[C@@H](C)C2)c1 ZINC000019575636 263374321 /nfs/dbraw/zinc/37/43/21/263374321.db2.gz GNJHXBRUJSRJNC-INIZCTEOSA-N 1 2 356.470 2.819 40 0 FFABLO COc1cccc(C[N@H+]2CCN(C(=O)c3cnn(C(C)C)c3)[C@@H](C)C2)c1 ZINC000019575636 263374323 /nfs/dbraw/zinc/37/43/23/263374323.db2.gz GNJHXBRUJSRJNC-INIZCTEOSA-N 1 2 356.470 2.819 40 0 FFABLO O=C(NC1CC[NH+](Cc2nnnn2C2CCCCC2)CC1)C1CCCCC1 ZINC000035313365 506380903 /nfs/dbraw/zinc/38/09/03/506380903.db2.gz GRMPSJQDVQJMLC-UHFFFAOYSA-N 1 2 374.533 2.839 40 0 FFABLO C[C@H]1CC(=O)c2c(nc(N3CC[NH+](C)CC3)nc2Nc2ccccc2)C1 ZINC000020801895 507235723 /nfs/dbraw/zinc/23/57/23/507235723.db2.gz LLGIDTSMTBJPRO-CQSZACIVSA-N 1 2 351.454 2.737 40 0 FFABLO OCCN1CC[NH+](CCCN2c3ccccc3Sc3cccnc32)CC1 ZINC000022463283 507293959 /nfs/dbraw/zinc/29/39/59/507293959.db2.gz RUPOLIZWSDDWNJ-UHFFFAOYSA-N 1 2 370.522 2.684 40 0 in-man FFABLO O=C(Cc1ccc(F)cc1)N1CCC[C@@H](c2nccnc2-n2cc[nH+]c2)C1 ZINC000072350662 507779509 /nfs/dbraw/zinc/77/95/09/507779509.db2.gz RBZIWNJFAPIWDR-MRXNPFEDSA-N 1 2 365.412 2.750 40 0 FFABLO O=C([C@@H]1C[C@@H]2CC[N@@H+](Cc3ccc(F)c(F)c3)C[C@@H]2O1)N1CCCC1 ZINC000096040990 508203902 /nfs/dbraw/zinc/20/39/02/508203902.db2.gz JGAURMKERJKEFQ-WBAXXEDZSA-N 1 2 350.409 2.567 40 0 FFABLO O=C([C@@H]1C[C@@H]2CC[N@H+](Cc3ccc(F)c(F)c3)C[C@@H]2O1)N1CCCC1 ZINC000096040990 508203904 /nfs/dbraw/zinc/20/39/04/508203904.db2.gz JGAURMKERJKEFQ-WBAXXEDZSA-N 1 2 350.409 2.567 40 0 FFABLO C[C@@H]1c2nc(CC(=O)NC3CC3)cn2CC[N@H+]1Cc1cccc2[nH]ccc21 ZINC000253591858 509899496 /nfs/dbraw/zinc/89/94/96/509899496.db2.gz QWZJGVWPNBJYHQ-CQSZACIVSA-N 1 2 363.465 2.762 40 0 FFABLO C[C@@H]1c2nc(CC(=O)NC3CC3)cn2CC[N@@H+]1Cc1cccc2[nH]ccc21 ZINC000253591858 509899503 /nfs/dbraw/zinc/89/95/03/509899503.db2.gz QWZJGVWPNBJYHQ-CQSZACIVSA-N 1 2 363.465 2.762 40 0 FFABLO Cc1ccsc1C(=O)N1Cc2c[nH+]cn2[C@H](COc2ccccn2)C1 ZINC000253598391 509901005 /nfs/dbraw/zinc/90/10/05/509901005.db2.gz KEDVRQCEUBPDAV-HNNXBMFYSA-N 1 2 354.435 2.924 40 0 FFABLO c1cncc(-c2ccc3c([C@@H]4C[N@H+](Cc5ccncc5)CCO4)nnn3c2)c1 ZINC000306130369 534505044 /nfs/dbraw/zinc/50/50/44/534505044.db2.gz JDXPANIATBXSKE-FQEVSTJZSA-N 1 2 372.432 2.760 40 0 FFABLO c1cncc(-c2ccc3c([C@@H]4C[N@@H+](Cc5ccncc5)CCO4)nnn3c2)c1 ZINC000306130369 534505051 /nfs/dbraw/zinc/50/50/51/534505051.db2.gz JDXPANIATBXSKE-FQEVSTJZSA-N 1 2 372.432 2.760 40 0 FFABLO c1cncc(C[N@@H+]2CCO[C@H](c3nnn4cc(-c5cccnc5)ccc34)C2)c1 ZINC000306137165 534506591 /nfs/dbraw/zinc/50/65/91/534506591.db2.gz QNGLTPPARBRFJH-FQEVSTJZSA-N 1 2 372.432 2.760 40 0 FFABLO c1cncc(C[N@H+]2CCO[C@H](c3nnn4cc(-c5cccnc5)ccc34)C2)c1 ZINC000306137165 534506595 /nfs/dbraw/zinc/50/65/95/534506595.db2.gz QNGLTPPARBRFJH-FQEVSTJZSA-N 1 2 372.432 2.760 40 0 FFABLO Fc1cccc(C[N@H+]2Cc3ccnn3C[C@H](CNc3ncccn3)C2)c1 ZINC000306136357 534517191 /nfs/dbraw/zinc/51/71/91/534517191.db2.gz PQZJHUGCGLUNFR-MRXNPFEDSA-N 1 2 352.417 2.556 40 0 FFABLO Fc1cccc(C[N@@H+]2Cc3ccnn3C[C@H](CNc3ncccn3)C2)c1 ZINC000306136357 534517203 /nfs/dbraw/zinc/51/72/03/534517203.db2.gz PQZJHUGCGLUNFR-MRXNPFEDSA-N 1 2 352.417 2.556 40 0 FFABLO Cc1[nH+]cc(-c2cncc([C@@H]3CCCN(C(=O)c4cccnc4)C3)n2)n1C ZINC000257245997 534722249 /nfs/dbraw/zinc/72/22/49/534722249.db2.gz ISABVJAGQQWVCR-MRXNPFEDSA-N 1 2 362.437 2.600 40 0 FFABLO C[N@@H+]1C[C@@H](NC(=O)Nc2ccccc2)C[C@H]1c1nc(-c2cccnc2)no1 ZINC000020464216 524011384 /nfs/dbraw/zinc/01/13/84/524011384.db2.gz YHEFBVXPGVABSG-HOTGVXAUSA-N 1 2 364.409 2.699 40 0 biogenic,in-vitro FFABLO C[N@H+]1C[C@@H](NC(=O)Nc2ccccc2)C[C@H]1c1nc(-c2cccnc2)no1 ZINC000020464216 524011389 /nfs/dbraw/zinc/01/13/89/524011389.db2.gz YHEFBVXPGVABSG-HOTGVXAUSA-N 1 2 364.409 2.699 40 0 biogenic,in-vitro FFABLO COc1cccc(CCCNC(=O)c2cccc(C[NH+]3CCOCC3)c2)c1 ZINC000020453511 525889930 /nfs/dbraw/zinc/88/99/30/525889930.db2.gz UXEMHRXBDHLZOY-UHFFFAOYSA-N 1 2 368.477 2.890 40 0 FFABLO CCCn1cc(C[NH+]2CCC(c3cc(=O)n4[nH]c(C)cc4n3)CC2)cn1 ZINC000257306514 528841307 /nfs/dbraw/zinc/84/13/07/528841307.db2.gz SUNWHMCUGCRTPQ-UHFFFAOYSA-N 1 2 354.458 2.729 40 0 FFABLO Cc1c(C[N@@H+]2CCO[C@H](c3nccnc3-c3ccccc3F)C2)cnn1C ZINC000257201755 223016819 /nfs/dbraw/zinc/01/68/19/223016819.db2.gz AIXIERZGBPXLCL-SFHVURJKSA-N 1 2 367.428 2.898 40 0 FFABLO Cc1c(C[N@H+]2CCO[C@H](c3nccnc3-c3ccccc3F)C2)cnn1C ZINC000257201755 223016821 /nfs/dbraw/zinc/01/68/21/223016821.db2.gz AIXIERZGBPXLCL-SFHVURJKSA-N 1 2 367.428 2.898 40 0 FFABLO COc1cc(CCC(=O)N2Cc3[nH+]ccn3C[C@@H]2c2ccccc2)on1 ZINC000257325132 223065215 /nfs/dbraw/zinc/06/52/15/223065215.db2.gz WROZZKHSUTVLPX-MRXNPFEDSA-N 1 2 352.394 2.596 40 0 FFABLO c1cc(C[N@@H+]2CCO[C@H](c3nnn4cc(-c5ccncc5)ccc34)C2)ccn1 ZINC000306137442 223111534 /nfs/dbraw/zinc/11/15/34/223111534.db2.gz QWHLJCLNSMXTPP-FQEVSTJZSA-N 1 2 372.432 2.760 40 0 FFABLO c1cc(C[N@H+]2CCO[C@H](c3nnn4cc(-c5ccncc5)ccc34)C2)ccn1 ZINC000306137442 223111537 /nfs/dbraw/zinc/11/15/37/223111537.db2.gz QWHLJCLNSMXTPP-FQEVSTJZSA-N 1 2 372.432 2.760 40 0 FFABLO Cc1nc(CN2Cc3c[nH+]cn3[C@@H](COCc3ccccn3)C2)cs1 ZINC000306140604 223112784 /nfs/dbraw/zinc/11/27/84/223112784.db2.gz UYUCUNWWDXVAIH-GOSISDBHSA-N 1 2 355.467 2.817 40 0 FFABLO Cc1ccc(C)c([C@@H](O)C[NH+]2CCN(C(=O)c3cccc(F)c3)CC2)c1 ZINC000019132062 220237922 /nfs/dbraw/zinc/23/79/22/220237922.db2.gz TUZMDHSJQFQMFI-FQEVSTJZSA-N 1 2 356.441 2.934 40 0 FFABLO CC[C@@H](C[NH+]1CCOCC1)NC(=O)Cc1c(C)[nH]c2cc(C)cc(C)c21 ZINC000019500341 220262927 /nfs/dbraw/zinc/26/29/27/220262927.db2.gz GSCBDLCCBDHWAM-KRWDZBQOSA-N 1 2 357.498 2.863 40 0 FFABLO O=C(NCC[NH+]1CCOCC1)c1cccc(OCc2ccccc2Cl)c1 ZINC000022258483 220381244 /nfs/dbraw/zinc/38/12/44/220381244.db2.gz QZWNIISBCCGJJJ-UHFFFAOYSA-N 1 2 374.868 2.981 40 0 FFABLO Cc1nn(Cc2ccccc2)c(C)c1C[N@H+](CCO)Cc1cccnc1 ZINC000057796940 221094250 /nfs/dbraw/zinc/09/42/50/221094250.db2.gz IRYVTQLZFLJKLC-UHFFFAOYSA-N 1 2 350.466 2.938 40 0 FFABLO Cc1nn(Cc2ccccc2)c(C)c1C[N@@H+](CCO)Cc1cccnc1 ZINC000057796940 221094251 /nfs/dbraw/zinc/09/42/51/221094251.db2.gz IRYVTQLZFLJKLC-UHFFFAOYSA-N 1 2 350.466 2.938 40 0 FFABLO COc1ccc(CC(=O)NCc2ccc(-n3cc[nH+]c3)cc2)cc1OC ZINC000069389782 221325723 /nfs/dbraw/zinc/32/57/23/221325723.db2.gz XVTHZEUDQNBHHD-UHFFFAOYSA-N 1 2 351.406 2.748 40 0 FFABLO CO[C@@H]1C[N@H+](CC(=O)Nc2ccccc2C(F)(F)F)C[C@]12CCCO2 ZINC000257209987 533472317 /nfs/dbraw/zinc/47/23/17/533472317.db2.gz BSQVIDJUMZXAKS-GDBMZVCRSA-N 1 2 358.360 2.524 40 0 FFABLO CO[C@@H]1C[N@@H+](CC(=O)Nc2ccccc2C(F)(F)F)C[C@]12CCCO2 ZINC000257209987 533472321 /nfs/dbraw/zinc/47/23/21/533472321.db2.gz BSQVIDJUMZXAKS-GDBMZVCRSA-N 1 2 358.360 2.524 40 0 FFABLO COc1cccc(CN2C[C@@]3(F)C[N@H+](Cc4ccccc4)C[C@@]3(F)C2=O)c1 ZINC000306128682 533485608 /nfs/dbraw/zinc/48/56/08/533485608.db2.gz HIDYOKFUFRIAQI-LEWJYISDSA-N 1 2 372.415 2.970 40 0 FFABLO COc1cccc(CN2C[C@@]3(F)C[N@@H+](Cc4ccccc4)C[C@@]3(F)C2=O)c1 ZINC000306128682 533485613 /nfs/dbraw/zinc/48/56/13/533485613.db2.gz HIDYOKFUFRIAQI-LEWJYISDSA-N 1 2 372.415 2.970 40 0 FFABLO COc1cccc(Nc2cc(-c3ccccc3)[nH+]c(N[C@@H](C)CO)n2)c1 ZINC000329038189 533592546 /nfs/dbraw/zinc/59/25/46/533592546.db2.gz RSJRFIVTPIBDCB-AWEZNQCLSA-N 1 2 350.422 2.532 40 0 FFABLO COc1cccc(C(=O)Nc2c[nH+]c(N3CCCCC3)nc2N(C)C)c1 ZINC000224354936 132282882 /nfs/dbraw/zinc/28/28/82/132282882.db2.gz ZXWDJJJWUZVOHO-UHFFFAOYSA-N 1 2 355.442 2.794 40 0 FFABLO Cn1nnc2c1[C@H](COCc1cccnc1)C[N@H+](Cc1cccs1)C2 ZINC000096060725 222008000 /nfs/dbraw/zinc/00/80/00/222008000.db2.gz LLVLMCIZHJAERT-HNNXBMFYSA-N 1 2 355.467 2.588 40 0 FFABLO Cn1nnc2c1[C@H](COCc1cccnc1)C[N@@H+](Cc1cccs1)C2 ZINC000096060725 222008003 /nfs/dbraw/zinc/00/80/03/222008003.db2.gz LLVLMCIZHJAERT-HNNXBMFYSA-N 1 2 355.467 2.588 40 0 FFABLO COc1ccc(C[N@@H+]2C[C@H]3C[C@H](C(=O)NCc4ccccc4)[C@@H](C2)O3)cc1 ZINC000096253425 222102148 /nfs/dbraw/zinc/10/21/48/222102148.db2.gz CVTJRJQIHAKUFN-QHAWAJNXSA-N 1 2 366.461 2.601 40 0 FFABLO COc1ccc(C[N@H+]2C[C@H]3C[C@H](C(=O)NCc4ccccc4)[C@@H](C2)O3)cc1 ZINC000096253425 222102153 /nfs/dbraw/zinc/10/21/53/222102153.db2.gz CVTJRJQIHAKUFN-QHAWAJNXSA-N 1 2 366.461 2.601 40 0 FFABLO O=C(c1ccsc1)N1CCC2(CC1)C[N@H+](Cc1ccccn1)CCO2 ZINC000096158840 222058574 /nfs/dbraw/zinc/05/85/74/222058574.db2.gz BNDIZXSNMALNPK-UHFFFAOYSA-N 1 2 357.479 2.650 40 0 FFABLO O=C(c1ccsc1)N1CCC2(CC1)C[N@@H+](Cc1ccccn1)CCO2 ZINC000096158840 222058579 /nfs/dbraw/zinc/05/85/79/222058579.db2.gz BNDIZXSNMALNPK-UHFFFAOYSA-N 1 2 357.479 2.650 40 0 FFABLO Cc1c2ccccc2oc1-c1nnc2sc(CC[NH+]3CCOCC3)nn21 ZINC000096194447 222072348 /nfs/dbraw/zinc/07/23/48/222072348.db2.gz KYNRPRHJXFYCAO-UHFFFAOYSA-N 1 2 369.450 2.782 40 0 FFABLO O=C(Cc1cccs1)N1CCC2(C[C@@H](Nc3cccc[nH+]3)CO2)CC1 ZINC000096221355 222085971 /nfs/dbraw/zinc/08/59/71/222085971.db2.gz NQGKRBCHRKTHCP-OAHLLOKOSA-N 1 2 357.479 2.948 40 0 FFABLO COc1cccc(CN2CC[N@H+](Cc3ccc(OC)c(CO)c3)[C@@H](C)C2)c1 ZINC000019575651 263374623 /nfs/dbraw/zinc/37/46/23/263374623.db2.gz VSYVYCCSBQIGGM-KRWDZBQOSA-N 1 2 370.493 2.902 40 0 FFABLO COc1cccc(CN2CC[N@@H+](Cc3ccc(OC)c(CO)c3)[C@@H](C)C2)c1 ZINC000019575651 263374625 /nfs/dbraw/zinc/37/46/25/263374625.db2.gz VSYVYCCSBQIGGM-KRWDZBQOSA-N 1 2 370.493 2.902 40 0 FFABLO C[C@@H]1CCCN(c2nc3c(c(=O)[nH]2)CC[N@H+](Cc2ccccc2F)C3)C1 ZINC000019496602 507171180 /nfs/dbraw/zinc/17/11/80/507171180.db2.gz IWFDQCLIRKIUDV-CQSZACIVSA-N 1 2 356.445 2.704 40 0 FFABLO C[C@@H]1CCCN(c2nc3c(c(=O)[nH]2)CC[N@@H+](Cc2ccccc2F)C3)C1 ZINC000019496602 507171188 /nfs/dbraw/zinc/17/11/88/507171188.db2.gz IWFDQCLIRKIUDV-CQSZACIVSA-N 1 2 356.445 2.704 40 0 FFABLO C[C@H](C[NH+]1CCOCC1)NC(=O)c1ccc(Cl)c(N2CCCCC2)c1 ZINC000019714950 507194617 /nfs/dbraw/zinc/19/46/17/507194617.db2.gz DUEXYHNGUAVYLJ-OAHLLOKOSA-N 1 2 365.905 2.781 40 0 FFABLO CCOc1ccc2nc3c(cc2c1)CN(CCC[NH+]1CCOCC1)C(=O)O3 ZINC000072396348 507782007 /nfs/dbraw/zinc/78/20/07/507782007.db2.gz QRAQAEYPGOGZLV-UHFFFAOYSA-N 1 2 371.437 2.670 40 0 FFABLO CCOc1cc(-c2nnc([C@@H]([NH3+])c3cccc(OC)c3)[nH]2)ccc1OC ZINC000095533631 508197824 /nfs/dbraw/zinc/19/78/24/508197824.db2.gz DZSXIJOMJZUARD-KRWDZBQOSA-N 1 2 354.410 2.936 40 0 FFABLO COc1ccccc1C[N@H+]1Cc2ccnn2C[C@@H](OCc2ccccn2)C1 ZINC000248145100 509248520 /nfs/dbraw/zinc/24/85/20/509248520.db2.gz SCESFQGNYYHCBF-FQEVSTJZSA-N 1 2 364.449 2.888 40 0 FFABLO COc1ccccc1C[N@@H+]1Cc2ccnn2C[C@@H](OCc2ccccn2)C1 ZINC000248145100 509248523 /nfs/dbraw/zinc/24/85/23/509248523.db2.gz SCESFQGNYYHCBF-FQEVSTJZSA-N 1 2 364.449 2.888 40 0 FFABLO CC1CCN(Cc2nnc(C[NH+]3CCC(C)CC3)n2-n2cccc2)CC1 ZINC000225151208 509365976 /nfs/dbraw/zinc/36/59/76/509365976.db2.gz JFPHZYFDXPTQII-UHFFFAOYSA-N 1 2 356.518 2.855 40 0 FFABLO Cc1noc(C)c1C[NH+]1CC2(C1)C[C@@H](CCOc1cnccn1)CCO2 ZINC000252015084 509832092 /nfs/dbraw/zinc/83/20/92/509832092.db2.gz VFNGPPVMCWTNND-INIZCTEOSA-N 1 2 358.442 2.532 40 0 FFABLO CC1(C)CN(C(=O)c2ccccc2)C[C@@H]2CN(C(=O)C3CCCC3)CC[N@@H+]21 ZINC000253395492 509877684 /nfs/dbraw/zinc/87/76/84/509877684.db2.gz BYKHGTQCQJSEMQ-IBGZPJMESA-N 1 2 369.509 2.624 40 0 biogenic,in-vitro FFABLO CC1(C)CN(C(=O)c2ccccc2)C[C@@H]2CN(C(=O)C3CCCC3)CC[N@H+]21 ZINC000253395492 509877688 /nfs/dbraw/zinc/87/76/88/509877688.db2.gz BYKHGTQCQJSEMQ-IBGZPJMESA-N 1 2 369.509 2.624 40 0 biogenic,in-vitro FFABLO CC1(C)CN(C(=O)c2ccccc2)C[C@@H]2C[N@H+](Cc3ccccn3)CCN21 ZINC000253408377 509878651 /nfs/dbraw/zinc/87/86/51/509878651.db2.gz XSNJZAAKDQSPPK-FQEVSTJZSA-N 1 2 364.493 2.502 40 0 biogenic,in-vitro FFABLO CC1(C)CN(C(=O)c2ccccc2)C[C@@H]2C[N@@H+](Cc3ccccn3)CCN21 ZINC000253408377 509878658 /nfs/dbraw/zinc/87/86/58/509878658.db2.gz XSNJZAAKDQSPPK-FQEVSTJZSA-N 1 2 364.493 2.502 40 0 biogenic,in-vitro FFABLO CC1(C)CN(C(=O)c2ccccc2)C[C@@H]2CN(Cc3ccccn3)CC[N@@H+]21 ZINC000253408377 509878665 /nfs/dbraw/zinc/87/86/65/509878665.db2.gz XSNJZAAKDQSPPK-FQEVSTJZSA-N 1 2 364.493 2.502 40 0 biogenic,in-vitro FFABLO CC1(C)CN(C(=O)c2ccccc2)C[C@@H]2CN(Cc3ccccn3)CC[N@H+]21 ZINC000253408377 509878670 /nfs/dbraw/zinc/87/86/70/509878670.db2.gz XSNJZAAKDQSPPK-FQEVSTJZSA-N 1 2 364.493 2.502 40 0 biogenic,in-vitro FFABLO Cc1noc(C)c1C[NH+]1CC2(C1)C[C@H](OCc1cncc(C)c1)CCO2 ZINC000253602975 509903365 /nfs/dbraw/zinc/90/33/65/509903365.db2.gz HIPQEDNTPWEINL-GOSISDBHSA-N 1 2 357.454 2.945 40 0 FFABLO CSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N(C(C)=O)[C@@H]2c1ccc(C)o1 ZINC000261361821 509985576 /nfs/dbraw/zinc/98/55/76/509985576.db2.gz CFPNSACUKWCRFV-KRWDZBQOSA-O 1 2 369.426 2.673 40 0 FFABLO CCC(=O)N1c2ccccc2-c2c(=O)[nH]c(SC)n[n+]2[C@@H]1c1ccco1 ZINC000261365270 509987558 /nfs/dbraw/zinc/98/75/58/509987558.db2.gz RAAARIRFIUDFSX-QGZVFWFLSA-O 1 2 369.426 2.755 40 0 FFABLO COc1ncccc1C[NH+]1CC2(C1)C[C@@H](Oc1ncccc1F)CS2 ZINC000247819498 510871278 /nfs/dbraw/zinc/87/12/78/510871278.db2.gz CMVLWMOKZYYMRB-CQSZACIVSA-N 1 2 361.442 2.763 40 0 FFABLO c1cc(COC[C@@H]2CCOC23C[NH+](Cc2ccc4c(c2)OCO4)C3)ccn1 ZINC000247820670 510871335 /nfs/dbraw/zinc/87/13/35/510871335.db2.gz CYPXSBJVJKNRSW-SFHVURJKSA-N 1 2 368.433 2.618 40 0 FFABLO Cn1cccc1C(=O)N1Cc2c[nH+]cn2CC[C@H]1COc1ccccc1 ZINC000585097626 518534998 /nfs/dbraw/zinc/53/49/98/518534998.db2.gz OFEOGGMEUUGERD-INIZCTEOSA-N 1 2 350.422 2.715 40 0 FFABLO O=C(NCC[C@H]1C[N@H+](Cc2ccccc2)Cc2ccnn21)c1ccco1 ZINC000585112081 518543393 /nfs/dbraw/zinc/54/33/93/518543393.db2.gz ILEJBCGTFPBRCE-KRWDZBQOSA-N 1 2 350.422 2.853 40 0 FFABLO O=C(NCC[C@H]1C[N@@H+](Cc2ccccc2)Cc2ccnn21)c1ccco1 ZINC000585112081 518543402 /nfs/dbraw/zinc/54/34/02/518543402.db2.gz ILEJBCGTFPBRCE-KRWDZBQOSA-N 1 2 350.422 2.853 40 0 FFABLO O=C(C=Cc1c[nH]c[nH+]1)N1CC[C@@]2(CCCO2)[C@@H](OCc2ccccc2)C1 ZINC000585291515 518556945 /nfs/dbraw/zinc/55/69/45/518556945.db2.gz PPRYFFRIMNTKFM-QGELVWPYSA-N 1 2 367.449 2.790 40 0 FFABLO Fc1ccc(CNc2cc(-c3cccnc3)[nH+]c(NC3CC3)n2)cc1F ZINC000329072198 534465869 /nfs/dbraw/zinc/46/58/69/534465869.db2.gz ZVRZAMZGSDTUAV-UHFFFAOYSA-N 1 2 353.376 2.847 40 0 FFABLO Cc1[nH+]cc(-c2cncc(C[C@H]3CCCN(C(=O)C4CCC4)C3)n2)n1C ZINC000257204448 534721937 /nfs/dbraw/zinc/72/19/37/534721937.db2.gz AUQSDUWXQFNYQC-OAHLLOKOSA-N 1 2 353.470 2.767 40 0 FFABLO Cc1cccc(C[C@H]2CCCN(C(=O)C[N@@H+](C)Cc3cccnc3)C2)n1 ZINC000257304859 534727948 /nfs/dbraw/zinc/72/79/48/534727948.db2.gz SNLFRMPXKQRDDS-GOSISDBHSA-N 1 2 352.482 2.698 40 0 FFABLO Cc1cccc(C[C@H]2CCCN(C(=O)C[N@H+](C)Cc3cccnc3)C2)n1 ZINC000257304859 534727952 /nfs/dbraw/zinc/72/79/52/534727952.db2.gz SNLFRMPXKQRDDS-GOSISDBHSA-N 1 2 352.482 2.698 40 0 FFABLO CC(C)c1nc2cc(C(=O)N(C)[C@@H]3CC[C@@H](n4cc[nH+]c4)[C@@H]3O)ccc2[nH]1 ZINC000257263990 528328219 /nfs/dbraw/zinc/32/82/19/528328219.db2.gz LSJPGVZNKGOSOG-KZNAEPCWSA-N 1 2 367.453 2.719 40 0 FFABLO Cc1nc(Nc2cnccn2)cc([C@H]2CCCCN2Cc2[nH+]ccn2C)n1 ZINC000257272123 223045509 /nfs/dbraw/zinc/04/55/09/223045509.db2.gz NBEDKBPLEKTEDM-MRXNPFEDSA-N 1 2 364.457 2.779 40 0 FFABLO O=C([O-])c1ccccc1C[N@@H+]1CCC[C@H](c2cncc(-n3cc[nH+]c3)n2)C1 ZINC000257334102 223069689 /nfs/dbraw/zinc/06/96/89/223069689.db2.gz YEOGDZYHDBTOLW-INIZCTEOSA-N 1 2 363.421 2.740 40 0 FFABLO O=C([O-])c1ccccc1C[N@H+]1CCC[C@H](c2cncc(-n3cc[nH+]c3)n2)C1 ZINC000257334102 223069691 /nfs/dbraw/zinc/06/96/91/223069691.db2.gz YEOGDZYHDBTOLW-INIZCTEOSA-N 1 2 363.421 2.740 40 0 FFABLO Cc1[nH+]c([C@H]2CCCN(C(=O)COC[C@@H]3CCCO3)C2)c2sccn12 ZINC000019240750 220242654 /nfs/dbraw/zinc/24/26/54/220242654.db2.gz ZCYCRAQDOASJFZ-GJZGRUSLSA-N 1 2 363.483 2.606 40 0 FFABLO COc1cccc([C@H](NC(=O)c2ccnn2C(F)F)c2[nH+]ccn2C)c1 ZINC000019291249 220246955 /nfs/dbraw/zinc/24/69/55/220246955.db2.gz FBEZSUDZWZHVAH-AWEZNQCLSA-N 1 2 361.352 2.540 40 0 FFABLO CC(C)c1nc2ccccc2n1C[C@H](C)C(=O)NC[C@@H](C)[NH+]1CCOCC1 ZINC000019453879 220258155 /nfs/dbraw/zinc/25/81/55/220258155.db2.gz FWFGZYGJLNNRAL-DLBZAZTESA-N 1 2 372.513 2.633 40 0 FFABLO COc1cccc(C[N@@H+]2CCN(C(=O)c3cc(C(C)C)nn3C)[C@@H](C)C2)c1 ZINC000019497772 220264529 /nfs/dbraw/zinc/26/45/29/220264529.db2.gz ODTXIJDPIKONDD-INIZCTEOSA-N 1 2 370.497 2.899 40 0 FFABLO COc1cccc(C[N@H+]2CCN(C(=O)c3cc(C(C)C)nn3C)[C@@H](C)C2)c1 ZINC000019497772 220264534 /nfs/dbraw/zinc/26/45/34/220264534.db2.gz ODTXIJDPIKONDD-INIZCTEOSA-N 1 2 370.497 2.899 40 0 FFABLO CCc1cccc2c(CC(=O)N[C@H](CC)C[NH+]3CCOCC3)c(C)[nH]c21 ZINC000019523027 220265636 /nfs/dbraw/zinc/26/56/36/220265636.db2.gz FCRDBAXDLJMTJJ-QGZVFWFLSA-N 1 2 357.498 2.808 40 0 FFABLO CCCn1ncc(C(=O)N[C@@H](c2[nH+]ccn2C)c2ccc(F)cc2)c1C ZINC000019525896 220269670 /nfs/dbraw/zinc/26/96/70/220269670.db2.gz UQYYXHOYJYAEBO-QGZVFWFLSA-N 1 2 355.417 2.994 40 0 FFABLO CC(=O)N1CCc2nnc([C@H]3CCC[N@@H+]3Cc3ccccc3Cl)n2CC1 ZINC000019710733 220288326 /nfs/dbraw/zinc/28/83/26/220288326.db2.gz XMHYJECOLSDPRD-QGZVFWFLSA-N 1 2 373.888 2.673 40 0 FFABLO CC(=O)N1CCc2nnc([C@H]3CCC[N@H+]3Cc3ccccc3Cl)n2CC1 ZINC000019710733 220288331 /nfs/dbraw/zinc/28/83/31/220288331.db2.gz XMHYJECOLSDPRD-QGZVFWFLSA-N 1 2 373.888 2.673 40 0 FFABLO CC(=O)Nc1cccc(NC(=O)c2cccc(C[NH+]3CCOCC3)c2)c1 ZINC000022531580 220389844 /nfs/dbraw/zinc/38/98/44/220389844.db2.gz RZMHAEANANZICK-UHFFFAOYSA-N 1 2 353.422 2.730 40 0 FFABLO COc1cccc(NC(=O)NCc2ccccc2C[NH+]2CCOCC2)c1 ZINC000053984506 221049333 /nfs/dbraw/zinc/04/93/33/221049333.db2.gz POFVYSASLZVHSQ-UHFFFAOYSA-N 1 2 355.438 2.849 40 0 FFABLO C[C@@H]1[C@@H](c2ccccc2)CC[N@@H+]1CC1=Nc2ccccc2S(=O)(=O)N1 ZINC000333030714 258245987 /nfs/dbraw/zinc/24/59/87/258245987.db2.gz MBENTFJNOKMBRC-ZBFHGGJFSA-N 1 2 355.463 2.887 40 0 FFABLO C[C@@H]1[C@@H](c2ccccc2)CC[N@H+]1CC1=Nc2ccccc2S(=O)(=O)N1 ZINC000333030714 258245988 /nfs/dbraw/zinc/24/59/88/258245988.db2.gz MBENTFJNOKMBRC-ZBFHGGJFSA-N 1 2 355.463 2.887 40 0 FFABLO CS(=O)(=O)c1c[nH]nc1[C@@H]1CCC[N@H+](Cc2c[nH]c3ccccc23)C1 ZINC000257272788 533465848 /nfs/dbraw/zinc/46/58/48/533465848.db2.gz NDXAVVTWHQGSAD-CYBMUJFWSA-N 1 2 358.467 2.674 40 0 FFABLO CS(=O)(=O)c1c[nH]nc1[C@@H]1CCC[N@@H+](Cc2c[nH]c3ccccc23)C1 ZINC000257272788 533465853 /nfs/dbraw/zinc/46/58/53/533465853.db2.gz NDXAVVTWHQGSAD-CYBMUJFWSA-N 1 2 358.467 2.674 40 0 FFABLO COc1cccc(C[N@@H+]2CCC[C@H]2c2nccc(CNC(C)=O)n2)c1F ZINC000257259931 533479288 /nfs/dbraw/zinc/47/92/88/533479288.db2.gz LARSGCBOMGMNFU-INIZCTEOSA-N 1 2 358.417 2.598 40 0 FFABLO COc1cccc(C[N@H+]2CCC[C@H]2c2nccc(CNC(C)=O)n2)c1F ZINC000257259931 533479290 /nfs/dbraw/zinc/47/92/90/533479290.db2.gz LARSGCBOMGMNFU-INIZCTEOSA-N 1 2 358.417 2.598 40 0 FFABLO FC1(F)CC[N@H+](Cc2nccs2)C[C@]12CCN(c1cnccn1)C2 ZINC000096051179 222001700 /nfs/dbraw/zinc/00/17/00/222001700.db2.gz MLQIIUJRQYCYMN-HNNXBMFYSA-N 1 2 351.426 2.671 40 0 FFABLO FC1(F)CC[N@@H+](Cc2nccs2)C[C@]12CCN(c1cnccn1)C2 ZINC000096051179 222001703 /nfs/dbraw/zinc/00/17/03/222001703.db2.gz MLQIIUJRQYCYMN-HNNXBMFYSA-N 1 2 351.426 2.671 40 0 FFABLO Cc1ccc(C[N@@H+]2CCO[C@]3(CCCN(c4nncs4)C3)C2)s1 ZINC000096226612 222088563 /nfs/dbraw/zinc/08/85/63/222088563.db2.gz LZOHMNNZTFFONU-MRXNPFEDSA-N 1 2 350.513 2.779 40 0 FFABLO Cc1ccc(C[N@H+]2CCO[C@]3(CCCN(c4nncs4)C3)C2)s1 ZINC000096226612 222088565 /nfs/dbraw/zinc/08/85/65/222088565.db2.gz LZOHMNNZTFFONU-MRXNPFEDSA-N 1 2 350.513 2.779 40 0 FFABLO O=C1C[C@H]([N@H+]2CCCC[C@@H]2CCO)C(=O)N1c1cc(Cl)ccc1Cl ZINC000036000010 506391602 /nfs/dbraw/zinc/39/16/02/506391602.db2.gz OFHJHRCTFAQVMW-DOMZBBRYSA-N 1 2 371.264 2.862 40 0 FFABLO O=C1C[C@H]([N@@H+]2CCCC[C@@H]2CCO)C(=O)N1c1cc(Cl)ccc1Cl ZINC000036000010 506391606 /nfs/dbraw/zinc/39/16/06/506391606.db2.gz OFHJHRCTFAQVMW-DOMZBBRYSA-N 1 2 371.264 2.862 40 0 FFABLO Cc1c(C[N@@H+]2CCc3c(=O)[nH]c(N4CCCC4)nc3C2)[nH]c2ccccc12 ZINC000012132497 506822482 /nfs/dbraw/zinc/82/24/82/506822482.db2.gz IBPKBBRZPWBDMI-UHFFFAOYSA-N 1 2 363.465 2.718 40 0 FFABLO Cc1c(C[N@H+]2CCc3c(=O)[nH]c(N4CCCC4)nc3C2)[nH]c2ccccc12 ZINC000012132497 506822488 /nfs/dbraw/zinc/82/24/88/506822488.db2.gz IBPKBBRZPWBDMI-UHFFFAOYSA-N 1 2 363.465 2.718 40 0 FFABLO C=COCCCNC(=O)C1CCN(c2[nH+]c3ccccc3n2CC)CC1 ZINC000012221311 506838279 /nfs/dbraw/zinc/83/82/79/506838279.db2.gz HOTOTXKFELHCBP-UHFFFAOYSA-N 1 2 356.470 2.939 40 0 FFABLO COc1ccc(C[N@H+]2CCc3nc4ccsc4c(=O)n3CC2)c(OC)c1 ZINC000012328313 506851059 /nfs/dbraw/zinc/85/10/59/506851059.db2.gz JQTBJIUQUFTODV-UHFFFAOYSA-N 1 2 371.462 2.534 40 0 FFABLO COc1ccc(C[N@@H+]2CCc3nc4ccsc4c(=O)n3CC2)c(OC)c1 ZINC000012328313 506851068 /nfs/dbraw/zinc/85/10/68/506851068.db2.gz JQTBJIUQUFTODV-UHFFFAOYSA-N 1 2 371.462 2.534 40 0 FFABLO COc1cccc(C[N@@H+]2CCc3nc4cc(C5CC5)[nH]n4c(=O)c3C2)c1 ZINC000012329763 506852250 /nfs/dbraw/zinc/85/22/50/506852250.db2.gz UOEAVSKVSVOGFZ-UHFFFAOYSA-N 1 2 350.422 2.879 40 0 FFABLO COc1cccc(C[N@H+]2CCc3nc4cc(C5CC5)[nH]n4c(=O)c3C2)c1 ZINC000012329763 506852259 /nfs/dbraw/zinc/85/22/59/506852259.db2.gz UOEAVSKVSVOGFZ-UHFFFAOYSA-N 1 2 350.422 2.879 40 0 FFABLO O=c1[nH]c(N2CCCCC2)nc2c1CC[N@@H+](Cc1ccc(F)c(F)c1)C2 ZINC000019292975 507164426 /nfs/dbraw/zinc/16/44/26/507164426.db2.gz OXIARCSZVIXAPE-UHFFFAOYSA-N 1 2 360.408 2.597 40 0 FFABLO O=c1[nH]c(N2CCCCC2)nc2c1CC[N@H+](Cc1ccc(F)c(F)c1)C2 ZINC000019292975 507164434 /nfs/dbraw/zinc/16/44/34/507164434.db2.gz OXIARCSZVIXAPE-UHFFFAOYSA-N 1 2 360.408 2.597 40 0 FFABLO COc1ccccc1OCc1ccc(C(=O)NCCCn2cc[nH+]c2)o1 ZINC000027980285 507699254 /nfs/dbraw/zinc/69/92/54/507699254.db2.gz WOJHYZGNFDVEIV-UHFFFAOYSA-N 1 2 355.394 2.884 40 0 FFABLO CC(=O)N1CCC[C@@H]1c1ccc[nH+]c1N1CCN(C(=O)OC(C)(C)C)CC1 ZINC000072216455 507770962 /nfs/dbraw/zinc/77/09/62/507770962.db2.gz CKWULLJUGDNVDE-QGZVFWFLSA-N 1 2 374.485 2.822 40 0 FFABLO COc1ccc(CC(=O)N2CCC[C@H]2c2cncc(-n3cc[nH+]c3)n2)cc1 ZINC000072378374 507781305 /nfs/dbraw/zinc/78/13/05/507781305.db2.gz UXVSHJGJCVRDPV-SFHVURJKSA-N 1 2 363.421 2.577 40 0 FFABLO CCOc1cc([C@H]([NH3+])c2nnc(-c3cccc(OC)c3)[nH]2)ccc1OC ZINC000095534378 508197578 /nfs/dbraw/zinc/19/75/78/508197578.db2.gz KVSVOXPJWAMOKE-KRWDZBQOSA-N 1 2 354.410 2.936 40 0 FFABLO CCC(=O)c1cccc(S(=O)(=O)N2CC[N@H+](C)CC23CCCCC3)c1 ZINC000119239137 508754934 /nfs/dbraw/zinc/75/49/34/508754934.db2.gz GSDDCLQMMALISO-UHFFFAOYSA-N 1 2 364.511 2.918 40 0 FFABLO CCC(=O)c1cccc(S(=O)(=O)N2CC[N@@H+](C)CC23CCCCC3)c1 ZINC000119239137 508754937 /nfs/dbraw/zinc/75/49/37/508754937.db2.gz GSDDCLQMMALISO-UHFFFAOYSA-N 1 2 364.511 2.918 40 0 FFABLO CC(C)[NH+]1CCN(C(=O)[C@@H]2[C@@H]3CC[C@]4(CC(=O)c5ccccc5O4)[C@@H]32)CC1 ZINC000247995395 509213070 /nfs/dbraw/zinc/21/30/70/509213070.db2.gz MGMFKBAONQPZCX-SZFLOTBDSA-N 1 2 368.477 2.599 40 0 FFABLO O=C1CCCN1CC[C@H]1CCOC12C[NH+](Cc1ccc3ccccc3n1)C2 ZINC000248011077 509217295 /nfs/dbraw/zinc/21/72/95/509217295.db2.gz VTNNLNHXMRPMNP-SFHVURJKSA-N 1 2 365.477 2.838 40 0 FFABLO CCCO[C@@](C)(CC)C(=O)Nc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000225730213 509386743 /nfs/dbraw/zinc/38/67/43/509386743.db2.gz VYBOFSRGDUWRBR-FQEVSTJZSA-N 1 2 364.486 2.931 40 0 FFABLO COc1ccccc1C[NH+]1CC2(C1)OCC[C@H]2CCNc1ncc(C)cn1 ZINC000253600531 509901484 /nfs/dbraw/zinc/90/14/84/509901484.db2.gz RAXZAOJKBDEQLE-GOSISDBHSA-N 1 2 368.481 2.887 40 0 FFABLO COc1cccc(C[NH+]2CC3(C2)C[C@@H](Oc2cncc(C)n2)CCO3)c1 ZINC000253601192 509902884 /nfs/dbraw/zinc/90/28/84/509902884.db2.gz LNFLUYGTDYSRJM-SFHVURJKSA-N 1 2 355.438 2.606 40 0 FFABLO CCSc1n[n+]2c(c(=O)[nH]1)-c1ccccc1N[C@@H]2c1ccc(O)cc1 ZINC000261364665 509987346 /nfs/dbraw/zinc/98/73/46/509987346.db2.gz MUSRJNBCVZQHRV-INIZCTEOSA-O 1 2 353.427 2.927 40 0 FFABLO O=C(CC1CCCC1)N1Cc2c[nH+]cn2[C@@H](COCc2ccccn2)C1 ZINC000247867638 510871757 /nfs/dbraw/zinc/87/17/57/510871757.db2.gz PEZNZJJTKXSNDO-LJQANCHMSA-N 1 2 354.454 2.959 40 0 FFABLO C[C@H](CO)Nc1nc(Nc2ccccc2C(F)(F)F)cc(C2CC2)[nH+]1 ZINC000329059680 534129577 /nfs/dbraw/zinc/12/95/77/534129577.db2.gz WJDGVWUDSCIQSO-SNVBAGLBSA-N 1 2 352.360 2.753 40 0 FFABLO C[C@@H](CO)Nc1nc(Nc2ccccc2C(F)(F)F)cc(C2CC2)[nH+]1 ZINC000329059678 534129559 /nfs/dbraw/zinc/12/95/59/534129559.db2.gz WJDGVWUDSCIQSO-JTQLQIEISA-N 1 2 352.360 2.753 40 0 FFABLO Cc1ccc(C[NH+]2CC3(C2)CC[C@H](CNC(=O)N2CCCC2)CO3)s1 ZINC000585105277 518541456 /nfs/dbraw/zinc/54/14/56/518541456.db2.gz SBIMMXUKRBVWPC-MRXNPFEDSA-N 1 2 363.527 2.843 40 0 FFABLO Cc1cnc(Nc2cc([C@@H]3CCCC[N@H+]3CC(=O)N(C)C)nc(C)n2)s1 ZINC000585177428 518548219 /nfs/dbraw/zinc/54/82/19/518548219.db2.gz BIMFSMZUHURSMT-HNNXBMFYSA-N 1 2 374.514 2.909 40 0 FFABLO Cc1cnc(Nc2cc([C@@H]3CCCC[N@@H+]3CC(=O)N(C)C)nc(C)n2)s1 ZINC000585177428 518548223 /nfs/dbraw/zinc/54/82/23/518548223.db2.gz BIMFSMZUHURSMT-HNNXBMFYSA-N 1 2 374.514 2.909 40 0 FFABLO CC(C)(C(=O)N[C@H]1CCCOc2cc(Cl)ccc21)[NH+]1CCOCC1 ZINC000574544510 519208869 /nfs/dbraw/zinc/20/88/69/519208869.db2.gz ICRWBTAJQPXCPV-HNNXBMFYSA-N 1 2 352.862 2.781 40 0 FFABLO Cc1cccc(C[N@@H+]2CCO[C@H](c3cncc(Nc4ncccn4)n3)C2)c1 ZINC000257301126 534708428 /nfs/dbraw/zinc/70/84/28/534708428.db2.gz RXCLVLXVQGRZKO-SFHVURJKSA-N 1 2 362.437 2.892 40 0 FFABLO Cc1cccc(C[N@H+]2CCO[C@H](c3cncc(Nc4ncccn4)n3)C2)c1 ZINC000257301126 534708436 /nfs/dbraw/zinc/70/84/36/534708436.db2.gz RXCLVLXVQGRZKO-SFHVURJKSA-N 1 2 362.437 2.892 40 0 FFABLO O=C(c1ccccc1C(F)(F)F)N1CC[C@H](O)[C@@H](n2cc[nH+]c2)CC1 ZINC000257313521 534747964 /nfs/dbraw/zinc/74/79/64/534747964.db2.gz USZFNKJJHZPTMX-GJZGRUSLSA-N 1 2 353.344 2.740 40 0 FFABLO C[NH+]1CCN(c2ccnc(SCC(=O)c3ccc(Cl)cc3)n2)CC1 ZINC000096306362 536424745 /nfs/dbraw/zinc/42/47/45/536424745.db2.gz ZTONUUYECDTJMC-UHFFFAOYSA-N 1 2 362.886 2.857 40 0 FFABLO c1ccc(C[N@@H+]2CCO[C@H](c3nnn4cc(-c5ccncc5)ccc34)C2)nc1 ZINC000306138499 223112047 /nfs/dbraw/zinc/11/20/47/223112047.db2.gz RYZPZSVZRCZLNI-FQEVSTJZSA-N 1 2 372.432 2.760 40 0 FFABLO c1ccc(C[N@H+]2CCO[C@H](c3nnn4cc(-c5ccncc5)ccc34)C2)nc1 ZINC000306138499 223112050 /nfs/dbraw/zinc/11/20/50/223112050.db2.gz RYZPZSVZRCZLNI-FQEVSTJZSA-N 1 2 372.432 2.760 40 0 FFABLO C[N@@H+]1C[C@@H](NC(=O)NC2CCCCC2)C[C@H]1c1nc(-c2ccccn2)no1 ZINC000012529785 220002904 /nfs/dbraw/zinc/00/29/04/220002904.db2.gz PCIOKHJRZHCILS-HOCLYGCPSA-N 1 2 370.457 2.509 40 0 biogenic,in-vitro FFABLO C[N@H+]1C[C@@H](NC(=O)NC2CCCCC2)C[C@H]1c1nc(-c2ccccn2)no1 ZINC000012529785 220002907 /nfs/dbraw/zinc/00/29/07/220002907.db2.gz PCIOKHJRZHCILS-HOCLYGCPSA-N 1 2 370.457 2.509 40 0 biogenic,in-vitro FFABLO COc1cccc([C@@H](NC(=O)c2ccnn2C(F)F)c2[nH+]ccn2C)c1 ZINC000019291248 220247200 /nfs/dbraw/zinc/24/72/00/220247200.db2.gz FBEZSUDZWZHVAH-CQSZACIVSA-N 1 2 361.352 2.540 40 0 FFABLO O=C1C[N@H+](Cc2c[nH]nc2-c2ccc(O)cc2)CCN1C1CCCCC1 ZINC000019336416 220251513 /nfs/dbraw/zinc/25/15/13/220251513.db2.gz CUJZXAOLQGUXCS-UHFFFAOYSA-N 1 2 354.454 2.759 40 0 FFABLO O=C1C[N@@H+](Cc2c[nH]nc2-c2ccc(O)cc2)CCN1C1CCCCC1 ZINC000019336416 220251515 /nfs/dbraw/zinc/25/15/15/220251515.db2.gz CUJZXAOLQGUXCS-UHFFFAOYSA-N 1 2 354.454 2.759 40 0 FFABLO CNc1cc([C@@H]2CCCN(C(=O)c3cccc4c3OCCO4)C2)cc[nH+]1 ZINC000257317703 533053487 /nfs/dbraw/zinc/05/34/87/533053487.db2.gz VKVJMWJBYVDAJM-OAHLLOKOSA-N 1 2 353.422 2.914 40 0 FFABLO Cc1nn(C)c(C)c1NC(=O)C[NH+]1CCC(Oc2ccccc2C)CC1 ZINC000019664367 220283238 /nfs/dbraw/zinc/28/32/38/220283238.db2.gz LQKBXDHLWIMJSI-UHFFFAOYSA-N 1 2 356.470 2.827 40 0 FFABLO O=C(Cc1ccccc1)NC(=S)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000022288914 220382883 /nfs/dbraw/zinc/38/28/83/220382883.db2.gz CKEVDYXEOONVGC-UHFFFAOYSA-N 1 2 369.490 2.575 40 0 FFABLO NC(=O)c1cccc2nc([C@H]3CC[N@H+](Cc4ccc(F)c(F)c4)C3)[nH]c21 ZINC000049171115 221020124 /nfs/dbraw/zinc/02/01/24/221020124.db2.gz UAHYPFIRELKANE-LBPRGKRZSA-N 1 2 356.376 2.930 40 0 biogenic,in-vitro FFABLO NC(=O)c1cccc2nc([C@H]3CC[N@@H+](Cc4ccc(F)c(F)c4)C3)[nH]c21 ZINC000049171115 221020126 /nfs/dbraw/zinc/02/01/26/221020126.db2.gz UAHYPFIRELKANE-LBPRGKRZSA-N 1 2 356.376 2.930 40 0 biogenic,in-vitro FFABLO COc1cccc(C[N@@H+](Cc2cnn(C)c2C)C[C@@H]2CCCO2)c1OC ZINC000057810935 221094307 /nfs/dbraw/zinc/09/43/07/221094307.db2.gz OABJIXNMAAKQQB-SFHVURJKSA-N 1 2 359.470 2.927 40 0 FFABLO COc1cccc(C[N@H+](Cc2cnn(C)c2C)C[C@@H]2CCCO2)c1OC ZINC000057810935 221094308 /nfs/dbraw/zinc/09/43/08/221094308.db2.gz OABJIXNMAAKQQB-SFHVURJKSA-N 1 2 359.470 2.927 40 0 FFABLO O=C(NCCOc1ccc(Cl)cc1)c1cccc(C[NH+]2CCOCC2)c1 ZINC000068384563 221315184 /nfs/dbraw/zinc/31/51/84/221315184.db2.gz BQFJJYFYJRTJEC-UHFFFAOYSA-N 1 2 374.868 2.981 40 0 FFABLO c1coc(C[NH+]2CCN(c3nccn4c(-c5ccncc5)cnc34)CC2)c1 ZINC000306136101 132302023 /nfs/dbraw/zinc/30/20/23/132302023.db2.gz PJCZCQUXAUEXII-UHFFFAOYSA-N 1 2 360.421 2.707 40 0 FFABLO Fc1ccc(C[N@@H+]2CCO[C@H]3[C@H](OCCCn4cccn4)CC[C@@H]32)cc1 ZINC000096058034 222005987 /nfs/dbraw/zinc/00/59/87/222005987.db2.gz BCQABQMCXRHIGP-XUVXKRRUSA-N 1 2 359.445 2.861 40 0 FFABLO Fc1ccc(C[N@H+]2CCO[C@H]3[C@H](OCCCn4cccn4)CC[C@@H]32)cc1 ZINC000096058034 222005991 /nfs/dbraw/zinc/00/59/91/222005991.db2.gz BCQABQMCXRHIGP-XUVXKRRUSA-N 1 2 359.445 2.861 40 0 FFABLO O=C(c1ccc(Cl)cc1)N1CCCn2nnc(C[NH+]3CCCCC3)c2C1 ZINC000096084735 222018600 /nfs/dbraw/zinc/01/86/00/222018600.db2.gz DIXYZQGMVMQRIN-UHFFFAOYSA-N 1 2 373.888 2.964 40 0 FFABLO COc1ccccc1NC(=O)C[NH+]1CCC(NC(=O)C2CCCCC2)CC1 ZINC000006200416 506471575 /nfs/dbraw/zinc/47/15/75/506471575.db2.gz XHYPDFQCOAGJIW-UHFFFAOYSA-N 1 2 373.497 2.795 40 0 FFABLO O=C1C[C@@H]([N@H+]2CCCC[C@H]2CCO)C(=O)N1c1cc(Cl)ccc1Cl ZINC000017076041 507115585 /nfs/dbraw/zinc/11/55/85/507115585.db2.gz OFHJHRCTFAQVMW-SWLSCSKDSA-N 1 2 371.264 2.862 40 0 FFABLO O=C1C[C@@H]([N@@H+]2CCCC[C@H]2CCO)C(=O)N1c1cc(Cl)ccc1Cl ZINC000017076041 507115590 /nfs/dbraw/zinc/11/55/90/507115590.db2.gz OFHJHRCTFAQVMW-SWLSCSKDSA-N 1 2 371.264 2.862 40 0 FFABLO CCc1[nH+]ccn1-c1nccnc1[C@@H]1CCCN(C(=O)c2ccncc2)C1 ZINC000072350610 507779173 /nfs/dbraw/zinc/77/91/73/507779173.db2.gz QNUQRFRSFRPXRA-MRXNPFEDSA-N 1 2 362.437 2.640 40 0 FFABLO CCc1[nH+]ccn1-c1cccc([C@H]2CCCN(C(=O)c3c[nH]nc3C)C2)n1 ZINC000072378997 507781434 /nfs/dbraw/zinc/78/14/34/507781434.db2.gz IFTOMYIPCBNWKJ-HNNXBMFYSA-N 1 2 364.453 2.881 40 0 FFABLO C[N@@H+]1[C@H](Cc2ccccc2)N(S(=O)(=O)C2C=CC=CC=C2)CC1(C)C ZINC000031769137 507821602 /nfs/dbraw/zinc/82/16/02/507821602.db2.gz JCIVFNPPPQRJLS-IBGZPJMESA-N 1 2 358.507 2.962 40 0 FFABLO C[N@H+]1[C@H](Cc2ccccc2)N(S(=O)(=O)C2C=CC=CC=C2)CC1(C)C ZINC000031769137 507821603 /nfs/dbraw/zinc/82/16/03/507821603.db2.gz JCIVFNPPPQRJLS-IBGZPJMESA-N 1 2 358.507 2.962 40 0 FFABLO c1cncc(COC[C@H]2c3nnn(CC4CC4)c3CC[N@@H+]2C2CCC2)c1 ZINC000096045423 508203407 /nfs/dbraw/zinc/20/34/07/508203407.db2.gz VMSGOLBCDJGPHY-IBGZPJMESA-N 1 2 353.470 2.752 40 0 FFABLO c1cncc(COC[C@H]2c3nnn(CC4CC4)c3CC[N@H+]2C2CCC2)c1 ZINC000096045423 508203410 /nfs/dbraw/zinc/20/34/10/508203410.db2.gz VMSGOLBCDJGPHY-IBGZPJMESA-N 1 2 353.470 2.752 40 0 FFABLO O=C(C[C@@H]1C[N@@H+](CCOc2ccc(Cl)cc2)Cc2ccnn21)N1CCC1 ZINC000247888802 509188432 /nfs/dbraw/zinc/18/84/32/509188432.db2.gz XXCMFSDQISWZRD-QGZVFWFLSA-N 1 2 374.872 2.595 40 0 FFABLO O=C(C[C@@H]1C[N@H+](CCOc2ccc(Cl)cc2)Cc2ccnn21)N1CCC1 ZINC000247888802 509188440 /nfs/dbraw/zinc/18/84/40/509188440.db2.gz XXCMFSDQISWZRD-QGZVFWFLSA-N 1 2 374.872 2.595 40 0 FFABLO O=C1CCCN1C[C@H]1CN(CCOc2ccc(Cl)cc2)Cc2c[nH+]cn21 ZINC000247955649 509200512 /nfs/dbraw/zinc/20/05/12/509200512.db2.gz NDIYYVOCOJAHON-QGZVFWFLSA-N 1 2 374.872 2.595 40 0 FFABLO O=C(c1cccc(F)c1)N1Cc2ccnn2C[C@H](CNc2cccc[nH+]2)C1 ZINC000247967661 509203384 /nfs/dbraw/zinc/20/33/84/509203384.db2.gz ZVQUNGPFMFGFHP-OAHLLOKOSA-N 1 2 365.412 2.802 40 0 FFABLO Cn1cc(C[N@H+]2Cc3cccn3[C@@H](CCOCC3CCOCC3)C2)cn1 ZINC000248120775 509236994 /nfs/dbraw/zinc/23/69/94/509236994.db2.gz KAFXAAHLKJEAIC-FQEVSTJZSA-N 1 2 358.486 2.612 40 0 FFABLO Cn1cc(C[N@@H+]2Cc3cccn3[C@@H](CCOCC3CCOCC3)C2)cn1 ZINC000248120775 509237000 /nfs/dbraw/zinc/23/70/00/509237000.db2.gz KAFXAAHLKJEAIC-FQEVSTJZSA-N 1 2 358.486 2.612 40 0 FFABLO c1cncc(O[C@H]2CCOC3(C[NH+](Cc4ccc5c(c4)OCO5)C3)C2)c1 ZINC000248335144 509271714 /nfs/dbraw/zinc/27/17/14/509271714.db2.gz MKWGBXBXIQVFHQ-INIZCTEOSA-N 1 2 354.406 2.623 40 0 FFABLO CCc1cc(S(=O)(=O)NCc2ccc(-n3cc[nH+]c3)cc2)ccc1OC ZINC000223710765 509345447 /nfs/dbraw/zinc/34/54/47/509345447.db2.gz JQGRCKUBIONEAS-UHFFFAOYSA-N 1 2 371.462 2.922 40 0 FFABLO CC(C)n1nccc1NC(=O)[C@H](C)[N@@H+]1CC[C@@]2(C1)OCc1ccccc12 ZINC000248697988 509440969 /nfs/dbraw/zinc/44/09/69/509440969.db2.gz KCNKLUFYDYHJGA-YWZLYKJASA-N 1 2 354.454 2.922 40 0 FFABLO CC(C)n1nccc1NC(=O)[C@H](C)[N@H+]1CC[C@@]2(C1)OCc1ccccc12 ZINC000248697988 509440979 /nfs/dbraw/zinc/44/09/79/509440979.db2.gz KCNKLUFYDYHJGA-YWZLYKJASA-N 1 2 354.454 2.922 40 0 FFABLO O=C(CC1Cc2ccccc2C1)N1Cc2c[nH+]cn2[C@H](COCC2CC2)C1 ZINC000247870083 510871747 /nfs/dbraw/zinc/87/17/47/510871747.db2.gz QHTPGAKDVBFHPN-NRFANRHFSA-N 1 2 365.477 2.998 40 0 FFABLO Cc1ccc(-c2c[nH+]c3n2C[C@]2(CCN(C(=O)c4ccn(C)n4)C2)C3)cc1 ZINC000306132920 534196825 /nfs/dbraw/zinc/19/68/25/534196825.db2.gz LWIHVIGOPHAJQA-OAQYLSRUSA-N 1 2 361.449 2.681 40 0 FFABLO COCCc1c[nH+]c2n1CCN(C(=O)c1ccc3ccccc3n1)[C@@H]2C ZINC000585098201 518535664 /nfs/dbraw/zinc/53/56/64/518535664.db2.gz RYUYBTXCJPJKNF-CQSZACIVSA-N 1 2 350.422 2.837 40 0 FFABLO Cn1ccnc1C[N@H+]1[C@H](c2ccccc2F)C[C@H]2NC(=O)CCCC[C@@H]21 ZINC000257267196 534787534 /nfs/dbraw/zinc/78/75/34/534787534.db2.gz MGIJLJORYQYYAS-SQNIBIBYSA-N 1 2 356.445 2.934 40 0 FFABLO Cn1ccnc1C[N@@H+]1[C@H](c2ccccc2F)C[C@H]2NC(=O)CCCC[C@@H]21 ZINC000257267196 534787538 /nfs/dbraw/zinc/78/75/38/534787538.db2.gz MGIJLJORYQYYAS-SQNIBIBYSA-N 1 2 356.445 2.934 40 0 FFABLO Cn1cc[nH+]c1CN1[C@H](c2ccccc2F)C[C@H]2NC(=O)CCCC[C@@H]21 ZINC000257267196 534787539 /nfs/dbraw/zinc/78/75/39/534787539.db2.gz MGIJLJORYQYYAS-SQNIBIBYSA-N 1 2 356.445 2.934 40 0 FFABLO CCOC[C@H]1Cc2c([nH+]cn2C)CN1C(=O)c1cnc2ccccc2c1 ZINC000585094778 571219790 /nfs/dbraw/zinc/21/97/90/571219790.db2.gz MHYCHPAHGMFGBT-MRXNPFEDSA-N 1 2 350.422 2.572 40 0 FFABLO CN1CC[N@H+](Cc2ccco2)C[C@H]1c1nnn2cc(-c3ccncc3)ccc12 ZINC000306127888 529774891 /nfs/dbraw/zinc/77/48/91/529774891.db2.gz GJXORQAQNGEPJL-FQEVSTJZSA-N 1 2 374.448 2.873 40 0 FFABLO CN1CC[N@@H+](Cc2ccco2)C[C@H]1c1nnn2cc(-c3ccncc3)ccc12 ZINC000306127888 529774892 /nfs/dbraw/zinc/77/48/92/529774892.db2.gz GJXORQAQNGEPJL-FQEVSTJZSA-N 1 2 374.448 2.873 40 0 FFABLO Cn1cc(C[N@@H+]2CCO[C@@H](c3ccc(Nc4ccccn4)cn3)C2)cn1 ZINC000257231044 223029216 /nfs/dbraw/zinc/02/92/16/223029216.db2.gz GEZFUMPGMPURCD-GOSISDBHSA-N 1 2 350.426 2.527 40 0 FFABLO Cn1cc(C[N@H+]2CCO[C@@H](c3ccc(Nc4ccccn4)cn3)C2)cn1 ZINC000257231044 223029218 /nfs/dbraw/zinc/02/92/18/223029218.db2.gz GEZFUMPGMPURCD-GOSISDBHSA-N 1 2 350.426 2.527 40 0 FFABLO Cn1cc(C[N@@H+]2CCC[C@H]2c2cccc(C(=O)Nc3nccs3)n2)cn1 ZINC000257290548 223052838 /nfs/dbraw/zinc/05/28/38/223052838.db2.gz QDKGBYKXZBEYFX-INIZCTEOSA-N 1 2 368.466 2.861 40 0 FFABLO Cn1cc(C[N@H+]2CCC[C@H]2c2cccc(C(=O)Nc3nccs3)n2)cn1 ZINC000257290548 223052840 /nfs/dbraw/zinc/05/28/40/223052840.db2.gz QDKGBYKXZBEYFX-INIZCTEOSA-N 1 2 368.466 2.861 40 0 FFABLO Cc1cc(C)nc(Nc2nccnc2[C@H]2CCCN2Cc2[nH+]ccn2C)n1 ZINC000257294536 223054407 /nfs/dbraw/zinc/05/44/07/223054407.db2.gz QUPMQXQQWYDZOL-OAHLLOKOSA-N 1 2 364.457 2.698 40 0 FFABLO c1cc(CCNc2cc(-c3ccncc3)[nH+]c(NC3CCCC3)n2)ccn1 ZINC000329012032 223129396 /nfs/dbraw/zinc/12/93/96/223129396.db2.gz MHKONYLDBNMVDZ-UHFFFAOYSA-N 1 2 360.465 2.787 40 0 FFABLO c1cc(-c2cc(NC[C@@H]3CCCO3)nc(NC3CCCCC3)[nH+]2)ccn1 ZINC000329014765 223130173 /nfs/dbraw/zinc/13/01/73/223130173.db2.gz MXWXOVJMMXMRQI-KRWDZBQOSA-N 1 2 353.470 2.718 40 0 FFABLO COC(=O)[C@@H]1Cc2[nH]c[nH+]c2CN1Cc1ccc(OC)c2ccccc12 ZINC000015707126 220161674 /nfs/dbraw/zinc/16/16/74/220161674.db2.gz VENRRLMKCHWHTG-SFHVURJKSA-N 1 2 351.406 2.671 40 0 biogenic,in-vitro FFABLO COC(=O)[C@@H]1Cc2[nH+]c[nH]c2CN1Cc1ccc(OC)c2ccccc12 ZINC000015707126 220161678 /nfs/dbraw/zinc/16/16/78/220161678.db2.gz VENRRLMKCHWHTG-SFHVURJKSA-N 1 2 351.406 2.671 40 0 biogenic,in-vitro FFABLO CCC[C@@H](C(=O)N1CC[NH+](Cc2ncccc2C)CC1)n1nc(C)cc1C ZINC000019501794 220263025 /nfs/dbraw/zinc/26/30/25/220263025.db2.gz JFFBITKELUWBDJ-FQEVSTJZSA-N 1 2 369.513 2.889 40 0 FFABLO COc1ccc(C[N@@H+]2CCC[C@@H](c3ncccc3S(C)(=O)=O)C2)cc1 ZINC000019555135 220271964 /nfs/dbraw/zinc/27/19/64/220271964.db2.gz ZQIWTVLRUOVLQC-MRXNPFEDSA-N 1 2 360.479 2.873 40 0 FFABLO COc1ccc(C[N@H+]2CCC[C@@H](c3ncccc3S(C)(=O)=O)C2)cc1 ZINC000019555135 220271967 /nfs/dbraw/zinc/27/19/67/220271967.db2.gz ZQIWTVLRUOVLQC-MRXNPFEDSA-N 1 2 360.479 2.873 40 0 FFABLO CNC(=O)c1cc([C@H]2C[N@H+](Cc3ccccn3)CCO2)nc2ccccc21 ZINC000019754337 220294187 /nfs/dbraw/zinc/29/41/87/220294187.db2.gz QGWSXQNEJRYHOH-HXUWFJFHSA-N 1 2 362.433 2.563 40 0 FFABLO CNC(=O)c1cc([C@H]2C[N@@H+](Cc3ccccn3)CCO2)nc2ccccc21 ZINC000019754337 220294189 /nfs/dbraw/zinc/29/41/89/220294189.db2.gz QGWSXQNEJRYHOH-HXUWFJFHSA-N 1 2 362.433 2.563 40 0 FFABLO CNc1ncc(C[N@H+](Cc2cccnc2)Cc2ccc3c(c2)OCO3)cn1 ZINC000057823027 221093622 /nfs/dbraw/zinc/09/36/22/221093622.db2.gz DKPYUPQQISBLBK-UHFFFAOYSA-N 1 2 363.421 2.844 40 0 FFABLO CNc1ncc(C[N@@H+](Cc2cccnc2)Cc2ccc3c(c2)OCO3)cn1 ZINC000057823027 221093626 /nfs/dbraw/zinc/09/36/26/221093626.db2.gz DKPYUPQQISBLBK-UHFFFAOYSA-N 1 2 363.421 2.844 40 0 FFABLO Cc1ccc(N2C(=O)C[C@@H]([NH+]3CCN(c4ccccc4)CC3)C2=O)cc1C ZINC000101274237 132233783 /nfs/dbraw/zinc/23/37/83/132233783.db2.gz KMVKNTPMMBRNOO-HXUWFJFHSA-N 1 2 363.461 2.758 40 0 FFABLO Cc1nc(Nc2ncccn2)cc([C@H]2CCCN(c3cc[nH+]c(C)n3)C2)n1 ZINC000257256095 132296099 /nfs/dbraw/zinc/29/60/99/132296099.db2.gz KKBHAPGTLMPDLI-HNNXBMFYSA-N 1 2 362.441 2.801 40 0 FFABLO Cc1ccc(Nc2nc(NCc3ccco3)[nH+]c(N3CCOCC3)n2)cc1 ZINC000032603970 132925223 /nfs/dbraw/zinc/92/52/23/132925223.db2.gz MNGZGNPMPUABMD-UHFFFAOYSA-N 1 2 366.425 2.965 40 0 FFABLO C[C@H]1CCCN(c2nc3c(c(=O)[nH]2)C[N@H+](Cc2cc(F)ccc2F)CC3)C1 ZINC000072347480 136144806 /nfs/dbraw/zinc/14/48/06/136144806.db2.gz CLMRRJGOXONQSM-ZDUSSCGKSA-N 1 2 374.435 2.843 40 0 FFABLO C[C@H]1CCCN(c2nc3c(c(=O)[nH]2)C[N@@H+](Cc2cc(F)ccc2F)CC3)C1 ZINC000072347480 136144807 /nfs/dbraw/zinc/14/48/07/136144807.db2.gz CLMRRJGOXONQSM-ZDUSSCGKSA-N 1 2 374.435 2.843 40 0 FFABLO C[C@H]1c2ncc(COCC3CCOCC3)n2CC[N@H+]1Cc1ccncc1 ZINC000096109799 222027802 /nfs/dbraw/zinc/02/78/02/222027802.db2.gz UOVSNGAEHLTOME-INIZCTEOSA-N 1 2 356.470 2.798 40 0 FFABLO C[C@H]1c2ncc(COCC3CCOCC3)n2CC[N@@H+]1Cc1ccncc1 ZINC000096109799 222027804 /nfs/dbraw/zinc/02/78/04/222027804.db2.gz UOVSNGAEHLTOME-INIZCTEOSA-N 1 2 356.470 2.798 40 0 FFABLO O=C(c1cccs1)N1CC[C@@H]([NH+]2CCOCC2)[C@@H]1Cc1ccccc1 ZINC000096061702 222008574 /nfs/dbraw/zinc/00/85/74/222008574.db2.gz GZAIPRGIAJLERJ-MSOLQXFVSA-N 1 2 356.491 2.906 40 0 FFABLO O=C(Cc1ccsc1)N1CC[C@]2(C1)C[C@H](Nc1cccc[nH+]1)CCO2 ZINC000096209230 222078084 /nfs/dbraw/zinc/07/80/84/222078084.db2.gz BWECDZBDMWAHBK-VQIMIIECSA-N 1 2 357.479 2.948 40 0 FFABLO CCOC(=O)c1cccc(NC(=O)c2ccc(C[NH+]3CCOCC3)cc2)c1 ZINC000022913806 263386244 /nfs/dbraw/zinc/38/62/44/263386244.db2.gz QFIJFUPVXNXDSQ-UHFFFAOYSA-N 1 2 368.433 2.948 40 0 FFABLO Cc1ccccc1C(=O)NC1CC[NH+](CC(=O)Nc2ccccc2F)CC1 ZINC000004909635 506404963 /nfs/dbraw/zinc/40/49/63/506404963.db2.gz OAZWXTGPBCXIEV-UHFFFAOYSA-N 1 2 369.440 2.967 40 0 FFABLO COc1ccc(C[N@@H+]2CCc3c(nc(N4CCCC[C@@H]4C)[nH]c3=O)C2)cc1 ZINC000012182633 506827935 /nfs/dbraw/zinc/82/79/35/506827935.db2.gz XOTHCQNXQBUGMM-HNNXBMFYSA-N 1 2 368.481 2.716 40 0 FFABLO COc1ccc(C[N@H+]2CCc3c(nc(N4CCCC[C@@H]4C)[nH]c3=O)C2)cc1 ZINC000012182633 506827939 /nfs/dbraw/zinc/82/79/39/506827939.db2.gz XOTHCQNXQBUGMM-HNNXBMFYSA-N 1 2 368.481 2.716 40 0 FFABLO CC1CCN(c2nc3c(c(=O)[nH]2)C[N@H+](Cc2c(F)cccc2F)CC3)CC1 ZINC000012183081 506828772 /nfs/dbraw/zinc/82/87/72/506828772.db2.gz JARUZZCZMXUPJQ-UHFFFAOYSA-N 1 2 374.435 2.843 40 0 FFABLO CC1CCN(c2nc3c(c(=O)[nH]2)C[N@@H+](Cc2c(F)cccc2F)CC3)CC1 ZINC000012183081 506828783 /nfs/dbraw/zinc/82/87/83/506828783.db2.gz JARUZZCZMXUPJQ-UHFFFAOYSA-N 1 2 374.435 2.843 40 0 FFABLO CCNc1nc(N2CC[NH+](Cc3ccccc3)CC2)nc2c1C(=O)CCC2 ZINC000020801767 507235343 /nfs/dbraw/zinc/23/53/43/507235343.db2.gz KFYHNFMAGCKFIJ-UHFFFAOYSA-N 1 2 365.481 2.750 40 0 FFABLO c1[nH]cc(CCNc2c3c(nc4cc(C5CCOCC5)nn42)CCCC3)[nH+]1 ZINC000072336900 507777422 /nfs/dbraw/zinc/77/74/22/507777422.db2.gz OLJGQRSUIYUJOO-UHFFFAOYSA-N 1 2 366.469 2.880 40 0 FFABLO c1[nH]c(CCNc2c3c(nc4cc(C5CCOCC5)nn42)CCCC3)c[nH+]1 ZINC000072336900 507777425 /nfs/dbraw/zinc/77/74/25/507777425.db2.gz OLJGQRSUIYUJOO-UHFFFAOYSA-N 1 2 366.469 2.880 40 0 FFABLO O=C(C[N@@H+]1CCCC[C@@H]1c1ccnc(Nc2ccccn2)n1)N1CCCC1 ZINC000072377582 507780941 /nfs/dbraw/zinc/78/09/41/507780941.db2.gz BTRMHNRMMLHQQN-QGZVFWFLSA-N 1 2 366.469 2.765 40 0 FFABLO O=C(C[N@H+]1CCCC[C@@H]1c1ccnc(Nc2ccccn2)n1)N1CCCC1 ZINC000072377582 507780946 /nfs/dbraw/zinc/78/09/46/507780946.db2.gz BTRMHNRMMLHQQN-QGZVFWFLSA-N 1 2 366.469 2.765 40 0 FFABLO CCc1[nH+]ccn1-c1cccc([C@@H]2CCCN(C(=O)c3cnccn3)C2)n1 ZINC000072379181 507781226 /nfs/dbraw/zinc/78/12/26/507781226.db2.gz SAVUHNWCXZIMBI-OAHLLOKOSA-N 1 2 362.437 2.640 40 0 FFABLO COc1cc(-c2nnc([C@H]([NH3+])c3ccc(C)cc3)[nH]2)cc(OC)c1OC ZINC000095534087 508197684 /nfs/dbraw/zinc/19/76/84/508197684.db2.gz RNOMZKCTKGVMNI-MRXNPFEDSA-N 1 2 354.410 2.854 40 0 FFABLO O=C(C[C@H]1C[N@@H+](CCOc2ccc(Cl)cc2)Cc2ccnn21)N1CCC1 ZINC000247888800 509187800 /nfs/dbraw/zinc/18/78/00/509187800.db2.gz XXCMFSDQISWZRD-KRWDZBQOSA-N 1 2 374.872 2.595 40 0 FFABLO O=C(C[C@H]1C[N@H+](CCOc2ccc(Cl)cc2)Cc2ccnn21)N1CCC1 ZINC000247888800 509187808 /nfs/dbraw/zinc/18/78/08/509187808.db2.gz XXCMFSDQISWZRD-KRWDZBQOSA-N 1 2 374.872 2.595 40 0 FFABLO O=C1CCCN1C[C@H]1CN(Cc2ccc3ccccc3n2)Cc2c[nH+]cn21 ZINC000247904871 509189085 /nfs/dbraw/zinc/18/90/85/509189085.db2.gz LTHOUXMMIAZYOG-LJQANCHMSA-N 1 2 361.449 2.611 40 0 FFABLO Cc1cc(NC(=S)NCCCn2cc[nH+]c2)ccc1N1CCCC1=O ZINC000225522051 509376466 /nfs/dbraw/zinc/37/64/66/509376466.db2.gz GUCBXQAEUDYEEM-UHFFFAOYSA-N 1 2 357.483 2.695 40 0 FFABLO CCCOC(C)(C)C(=O)Nc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000225727013 509385843 /nfs/dbraw/zinc/38/58/43/509385843.db2.gz HAFKKKVCOZOCQR-UHFFFAOYSA-N 1 2 350.459 2.541 40 0 FFABLO CNc1nccnc1[C@H]1C[N@H+](Cc2c[nH]nc2-c2cccs2)CCO1 ZINC000257319703 509979968 /nfs/dbraw/zinc/97/99/68/509979968.db2.gz VTRHYJJKIPOCJG-CYBMUJFWSA-N 1 2 356.455 2.543 40 0 FFABLO CNc1nccnc1[C@H]1C[N@@H+](Cc2c[nH]nc2-c2cccs2)CCO1 ZINC000257319703 509979975 /nfs/dbraw/zinc/97/99/75/509979975.db2.gz VTRHYJJKIPOCJG-CYBMUJFWSA-N 1 2 356.455 2.543 40 0 FFABLO C[C@H]1CCCN(Cc2nnc(C[N@@H+]3CCC[C@H](C)C3)n2-n2cccc2)C1 ZINC000260574288 509983963 /nfs/dbraw/zinc/98/39/63/509983963.db2.gz RJPIDKOBUCMNSY-ROUUACIJSA-N 1 2 356.518 2.855 40 0 FFABLO C[C@H]1CCCN(Cc2nnc(C[N@H+]3CCC[C@H](C)C3)n2-n2cccc2)C1 ZINC000260574288 509983970 /nfs/dbraw/zinc/98/39/70/509983970.db2.gz RJPIDKOBUCMNSY-ROUUACIJSA-N 1 2 356.518 2.855 40 0 FFABLO O=C(CC1=CCCCC1)N1Cc2c[nH+]cn2[C@@H](COc2ncccn2)C1 ZINC000247856474 510871564 /nfs/dbraw/zinc/87/15/64/510871564.db2.gz KUSHITAUQGAFIW-QGZVFWFLSA-N 1 2 353.426 2.526 40 0 FFABLO O=C(CC1CCCC1)N1Cc2c[nH+]cn2[C@H](COCc2ccccn2)C1 ZINC000247867633 510871808 /nfs/dbraw/zinc/87/18/08/510871808.db2.gz PEZNZJJTKXSNDO-IBGZPJMESA-N 1 2 354.454 2.959 40 0 FFABLO Cc1noc(C)c1C[NH+]1CCN(C(=O)c2cccc([C@@H]3CCOC3)c2)CC1 ZINC000270482142 510883976 /nfs/dbraw/zinc/88/39/76/510883976.db2.gz IMFMBDFGBRBGPW-LJQANCHMSA-N 1 2 369.465 2.753 40 0 FFABLO Cc1cc(Nc2ncccn2)nc([C@@H]2CCCC[N@H+]2Cc2cnn(C)c2)n1 ZINC000257282069 534005235 /nfs/dbraw/zinc/00/52/35/534005235.db2.gz OSFRNTGWUZNAMB-INIZCTEOSA-N 1 2 364.457 2.779 40 0 FFABLO Cc1cc(Nc2ncccn2)nc([C@@H]2CCCC[N@@H+]2Cc2cnn(C)c2)n1 ZINC000257282069 534005244 /nfs/dbraw/zinc/00/52/44/534005244.db2.gz OSFRNTGWUZNAMB-INIZCTEOSA-N 1 2 364.457 2.779 40 0 FFABLO O=C(NCC[C@@H]1C[N@H+](Cc2cccs2)Cc2ccnn21)c1ccncc1 ZINC000585112610 518543744 /nfs/dbraw/zinc/54/37/44/518543744.db2.gz UEHLJMZRGGSLRY-MRXNPFEDSA-N 1 2 367.478 2.717 40 0 FFABLO O=C(NCC[C@@H]1C[N@@H+](Cc2cccs2)Cc2ccnn21)c1ccncc1 ZINC000585112610 518543750 /nfs/dbraw/zinc/54/37/50/518543750.db2.gz UEHLJMZRGGSLRY-MRXNPFEDSA-N 1 2 367.478 2.717 40 0 FFABLO CC(=O)Nc1cccc(-c2c[nH+]c3n2CCN(C(=O)[C@H]2C[C@@H]2C)CC3)c1 ZINC000585111578 518544522 /nfs/dbraw/zinc/54/45/22/518544522.db2.gz XBGYWXMUQLJLML-GUYCJALGSA-N 1 2 352.438 2.549 40 0 FFABLO COc1ccc(CC(=O)NCc2ccccc2-n2cc[nH+]c2)cc1OC ZINC000020485704 523903839 /nfs/dbraw/zinc/90/38/39/523903839.db2.gz MUQKBAJOJBWAQZ-UHFFFAOYSA-N 1 2 351.406 2.748 40 0 FFABLO Cc1n[nH]cc1C[N@@H+]1CCC[C@H]1c1nccnc1Nc1nc(C)cc(C)n1 ZINC000257237859 534852798 /nfs/dbraw/zinc/85/27/98/534852798.db2.gz HINCAYLOJPMBNC-INIZCTEOSA-N 1 2 364.457 2.996 40 0 FFABLO Cc1n[nH]cc1C[N@H+]1CCC[C@H]1c1nccnc1Nc1nc(C)cc(C)n1 ZINC000257237859 534852800 /nfs/dbraw/zinc/85/28/00/534852800.db2.gz HINCAYLOJPMBNC-INIZCTEOSA-N 1 2 364.457 2.996 40 0 FFABLO CC(=O)N[C@H]1CCCC[C@@]12C[N@H+](Cc1cc(F)c(O)c(Cl)c1)CCO2 ZINC000306141542 526894438 /nfs/dbraw/zinc/89/44/38/526894438.db2.gz VZMVIBHWIZTVGA-FUHWJXTLSA-N 1 2 370.852 2.834 40 0 FFABLO CC(=O)N[C@H]1CCCC[C@@]12C[N@@H+](Cc1cc(F)c(O)c(Cl)c1)CCO2 ZINC000306141542 526894444 /nfs/dbraw/zinc/89/44/44/526894444.db2.gz VZMVIBHWIZTVGA-FUHWJXTLSA-N 1 2 370.852 2.834 40 0 FFABLO CCC[C@H](c1nnnn1CCOC)[NH+]1CCN(c2cc(C)ccc2C)CC1 ZINC000057670020 535722196 /nfs/dbraw/zinc/72/21/96/535722196.db2.gz MSIFQAUZIPAEEX-GOSISDBHSA-N 1 2 372.517 2.600 40 0 FFABLO O=C(NCc1ccc(-n2cc[nH+]c2)nc1)N1CCC[C@H]([C@H]2CCCCO2)C1 ZINC000685938958 568434619 /nfs/dbraw/zinc/43/46/19/568434619.db2.gz RBOSNICYGXADMX-ZWKOTPCHSA-N 1 2 369.469 2.758 40 0 FFABLO CCOC[C@@H]1Cc2c([nH+]cn2C)CN1C(=O)c1ccnc2ccccc21 ZINC000585094821 571219694 /nfs/dbraw/zinc/21/96/94/571219694.db2.gz OADPSQRHJNOTNZ-AWEZNQCLSA-N 1 2 350.422 2.572 40 0 FFABLO CNc1nc(NCc2ccccc2Br)cc(-c2ccncc2)[nH+]1 ZINC000329070603 529833487 /nfs/dbraw/zinc/83/34/87/529833487.db2.gz ZIHGAUXRQVEJAL-UHFFFAOYSA-N 1 2 370.254 2.799 40 0 FFABLO COC(=O)c1ccc(NC(=S)N2CC[NH+](Cc3ccco3)CC2)cc1 ZINC000225215135 222831600 /nfs/dbraw/zinc/83/16/00/222831600.db2.gz HORNGYXMEQWWMC-UHFFFAOYSA-N 1 2 359.451 2.581 40 0 FFABLO COc1ncc(C[N@@H+]2CCC[C@@H]2c2cncc(-c3c(C)noc3C)n2)cn1 ZINC000257221969 223026951 /nfs/dbraw/zinc/02/69/51/223026951.db2.gz DRIJTUOAZJSSSC-QGZVFWFLSA-N 1 2 366.425 2.884 40 0 FFABLO COc1ncc(C[N@H+]2CCC[C@@H]2c2cncc(-c3c(C)noc3C)n2)cn1 ZINC000257221969 223026953 /nfs/dbraw/zinc/02/69/53/223026953.db2.gz DRIJTUOAZJSSSC-QGZVFWFLSA-N 1 2 366.425 2.884 40 0 FFABLO Cn1nccc1C(=O)N1CC[C@]2(Cc3[nH+]cc(-c4ccc(F)cc4)n3C2)C1 ZINC000306133056 223109838 /nfs/dbraw/zinc/10/98/38/223109838.db2.gz MAJCTGKLJNLARR-FQEVSTJZSA-N 1 2 365.412 2.511 40 0 FFABLO CN1CC[NH+](CCSC(=O)[C@@](O)(c2ccccc2)C2CCCC2)CC1 ZINC000019366469 220253418 /nfs/dbraw/zinc/25/34/18/220253418.db2.gz YXEDATSKQWAGIU-HXUWFJFHSA-N 1 2 362.539 2.572 40 0 FFABLO CC(C)n1nccc1C(=O)N1C[C@H](C[NH+]2CCOCC2)c2ccccc21 ZINC000019454551 220258117 /nfs/dbraw/zinc/25/81/17/220258117.db2.gz PIGWXLZQXOVRKM-INIZCTEOSA-N 1 2 354.454 2.540 40 0 FFABLO CC(=O)NC(=Cc1c[nH]c(C)[nH+]1)[C@@]1(C)CCCN(c2cc(C)ncn2)C1 ZINC000257255532 132296051 /nfs/dbraw/zinc/29/60/51/132296051.db2.gz KHVOMGYJWWESML-VZZQTLFRSA-N 1 2 354.458 2.600 40 0 FFABLO Cc1nc(NC(=O)[C@]2(C)CCCN(c3cc(N(C)C)[nH+]cn3)C2)sc1C ZINC000257285983 132296361 /nfs/dbraw/zinc/29/63/61/132296361.db2.gz PJRKVKYRIVGSLI-GOSISDBHSA-N 1 2 374.514 2.861 40 0 FFABLO Cc1nc(NC(=O)[C@]2(C)CCCN(c3cc(N(C)C)nc[nH+]3)C2)sc1C ZINC000257285983 132296362 /nfs/dbraw/zinc/29/63/62/132296362.db2.gz PJRKVKYRIVGSLI-GOSISDBHSA-N 1 2 374.514 2.861 40 0 FFABLO C[C@@H]1CCCN(c2nc3c(c(=O)[nH]2)C[N@H+](Cc2ccc(F)c(F)c2)CC3)C1 ZINC000072347475 136144750 /nfs/dbraw/zinc/14/47/50/136144750.db2.gz APTIWZUDEMMCDL-CYBMUJFWSA-N 1 2 374.435 2.843 40 0 FFABLO C[C@@H]1CCCN(c2nc3c(c(=O)[nH]2)C[N@@H+](Cc2ccc(F)c(F)c2)CC3)C1 ZINC000072347475 136144751 /nfs/dbraw/zinc/14/47/51/136144751.db2.gz APTIWZUDEMMCDL-CYBMUJFWSA-N 1 2 374.435 2.843 40 0 FFABLO Cc1nc2c(c(N3CCC[C@H](CO)C3)n1)C[N@H+](Cc1ccccc1)CC2 ZINC000072347606 136144908 /nfs/dbraw/zinc/14/49/08/136144908.db2.gz OXKJMVHXXXLQAX-SFHVURJKSA-N 1 2 352.482 2.552 40 0 FFABLO Cc1nc2c(c(N3CCC[C@H](CO)C3)n1)C[N@@H+](Cc1ccccc1)CC2 ZINC000072347606 136144909 /nfs/dbraw/zinc/14/49/09/136144909.db2.gz OXKJMVHXXXLQAX-SFHVURJKSA-N 1 2 352.482 2.552 40 0 FFABLO O=C(c1cscn1)N1CC[C@H]2OCC[C@@]2(CCNc2cccc[nH+]2)C1 ZINC000096207645 222076492 /nfs/dbraw/zinc/07/64/92/222076492.db2.gz ZFEKTXIMJKEFJJ-QAPCUYQASA-N 1 2 358.467 2.662 40 0 FFABLO Cc1nc(C(=O)N2CC[C@]3(C2)C[C@H](Nc2cccc[nH+]2)CCO3)cs1 ZINC000096209257 222078591 /nfs/dbraw/zinc/07/85/91/222078591.db2.gz CAWGQTIMDANWQA-RDTXWAMCSA-N 1 2 358.467 2.722 40 0 FFABLO CCC(C)(C)n1nnnc1C[NH+]1CCC(NC(=O)c2ccccc2C)CC1 ZINC000004910225 506404110 /nfs/dbraw/zinc/40/41/10/506404110.db2.gz GQIJBPBYFVBANC-UHFFFAOYSA-N 1 2 370.501 2.521 40 0 FFABLO CCOCCCNC(=O)[C@@H]1CCCN(c2[nH+]c3ccccc3n2CC)C1 ZINC000012145829 506823819 /nfs/dbraw/zinc/82/38/19/506823819.db2.gz KPZLICCTIKSQHL-MRXNPFEDSA-N 1 2 358.486 2.815 40 0 FFABLO COc1ccc2cc(C[NH2+]c3ccc(N4CCOCC4)cc3)c(=O)[nH]c2c1 ZINC000013561408 506945352 /nfs/dbraw/zinc/94/53/52/506945352.db2.gz YMEUMHJSPIBOCE-UHFFFAOYSA-N 1 2 365.433 2.985 40 0 FFABLO Nc1cc(-c2c[nH]nc2[C@@H]2CCCN2C(=O)COc2ccccc2)cc[nH+]1 ZINC000072357490 507779244 /nfs/dbraw/zinc/77/92/44/507779244.db2.gz UWNFUPXYOIKRJC-KRWDZBQOSA-N 1 2 363.421 2.796 40 0 FFABLO C[N@@H+]1[C@@H](Cc2ccccc2)N(S(=O)(=O)C2C=CC=CC=C2)CC1(C)C ZINC000031769135 507821584 /nfs/dbraw/zinc/82/15/84/507821584.db2.gz JCIVFNPPPQRJLS-LJQANCHMSA-N 1 2 358.507 2.962 40 0 FFABLO C[N@H+]1[C@@H](Cc2ccccc2)N(S(=O)(=O)C2C=CC=CC=C2)CC1(C)C ZINC000031769135 507821585 /nfs/dbraw/zinc/82/15/85/507821585.db2.gz JCIVFNPPPQRJLS-LJQANCHMSA-N 1 2 358.507 2.962 40 0 FFABLO COc1ccc([C@@H]([NH3+])c2nc(COc3ccc(F)cc3)n[nH]2)cc1OC ZINC000095533835 508197663 /nfs/dbraw/zinc/19/76/63/508197663.db2.gz RXXPSZHAOFPERK-QGZVFWFLSA-N 1 2 358.373 2.588 40 0 FFABLO COC(=O)Cc1ccc(NC(=S)N2CC[NH+](Cc3ccco3)CC2)cc1 ZINC000225215195 509367725 /nfs/dbraw/zinc/36/77/25/509367725.db2.gz HHHNABLJQSNGPW-UHFFFAOYSA-N 1 2 373.478 2.510 40 0 FFABLO CCCC[C@](C)(OC)C(=O)Nc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000225618558 509379918 /nfs/dbraw/zinc/37/99/18/509379918.db2.gz ZCZGEVIBFVUXDW-FQEVSTJZSA-N 1 2 364.486 2.931 40 0 FFABLO Cc1cccc(C[NH+]2CC3(C2)C[C@@H](CCOc2nccc(C)n2)CCO3)n1 ZINC000253476946 509884852 /nfs/dbraw/zinc/88/48/52/509884852.db2.gz CCEAUZANUCFHMA-SFHVURJKSA-N 1 2 368.481 2.939 40 0 FFABLO O=C(NCC[C@H]1C[N@H+](Cc2ccsc2)Cc2ccnn21)c1cccnc1 ZINC000247477597 510862238 /nfs/dbraw/zinc/86/22/38/510862238.db2.gz HRVQRJKPWDEAAB-KRWDZBQOSA-N 1 2 367.478 2.717 40 0 FFABLO O=C(NCC[C@H]1C[N@@H+](Cc2ccsc2)Cc2ccnn21)c1cccnc1 ZINC000247477597 510862239 /nfs/dbraw/zinc/86/22/39/510862239.db2.gz HRVQRJKPWDEAAB-KRWDZBQOSA-N 1 2 367.478 2.717 40 0 FFABLO COc1cccc(C[NH+]2CC3(C2)C[C@H](OCC2CCOCC2)CCO3)c1 ZINC000247867425 510871839 /nfs/dbraw/zinc/87/18/39/510871839.db2.gz BMIQCMRTLNBRJG-HXUWFJFHSA-N 1 2 361.482 2.872 40 0 FFABLO C[C@@H](CO)Nc1nc(NCc2ccc(F)cc2)cc(-c2ccccc2)[nH+]1 ZINC000329009691 534129178 /nfs/dbraw/zinc/12/91/78/534129178.db2.gz LXBVXIQQLQXMKY-AWEZNQCLSA-N 1 2 352.413 2.531 40 0 FFABLO C[C@H]1c2ncc(CCOc3cc[nH+]cc3)n2CCN1C(=O)C1CC=CC1 ZINC000585098507 518535369 /nfs/dbraw/zinc/53/53/69/518535369.db2.gz UJWRVSAWJRAAOP-HNNXBMFYSA-N 1 2 352.438 2.769 40 0 FFABLO O=C(NCC[C@@H]1C[N@H+](Cc2ccccc2)Cc2ccnn21)c1ccco1 ZINC000585112083 518544242 /nfs/dbraw/zinc/54/42/42/518544242.db2.gz ILEJBCGTFPBRCE-QGZVFWFLSA-N 1 2 350.422 2.853 40 0 FFABLO O=C(NCC[C@@H]1C[N@@H+](Cc2ccccc2)Cc2ccnn21)c1ccco1 ZINC000585112083 518544246 /nfs/dbraw/zinc/54/42/46/518544246.db2.gz ILEJBCGTFPBRCE-QGZVFWFLSA-N 1 2 350.422 2.853 40 0 FFABLO Cc1[nH+]cc(-c2nccnc2C2CCN(C(=O)c3ccccn3)CC2)n1C ZINC000257247406 534722361 /nfs/dbraw/zinc/72/23/61/534722361.db2.gz IYXFCDFAAMYNMQ-UHFFFAOYSA-N 1 2 362.437 2.600 40 0 FFABLO CC(C)c1cc(C(=O)N(C)C[C@@]2(O)CCN(c3cccc[nH+]3)C2)cs1 ZINC000257302508 528013152 /nfs/dbraw/zinc/01/31/52/528013152.db2.gz SDEJIEUXUVDGAR-IBGZPJMESA-N 1 2 359.495 2.980 40 0 FFABLO C[C@H](CO)Nc1nc(Nc2ccc(OC(F)F)cc2)cc(C2CC2)[nH+]1 ZINC000328982892 571128491 /nfs/dbraw/zinc/12/84/91/571128491.db2.gz HDIOFCMJLNPRJX-SNVBAGLBSA-N 1 2 350.369 3.492 40 0 FFABLO COc1ccccc1Oc1cncc([C@@H]2CCC[N@@H+]2CC(=O)N(C)C)n1 ZINC000072383960 571189064 /nfs/dbraw/zinc/18/90/64/571189064.db2.gz ZQSZUTTUHPFBEG-HNNXBMFYSA-N 1 2 356.426 2.503 40 0 FFABLO COc1ccccc1Oc1cncc([C@@H]2CCC[N@H+]2CC(=O)N(C)C)n1 ZINC000072383960 571189065 /nfs/dbraw/zinc/18/90/65/571189065.db2.gz ZQSZUTTUHPFBEG-HNNXBMFYSA-N 1 2 356.426 2.503 40 0 FFABLO