smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCOC(=O)[C@]1(CCc2ccccc2)CCC[N@@H+](C2CCOCC2)C1 ZINC000012706643 201861336 /nfs/dbraw/zinc/86/13/36/201861336.db2.gz BWRHVSVBPYOXNS-NRFANRHFSA-N 1 0 345.483 3.444 1 0 EGAFRO CC(C)C[N@@H+]1CCN(Cc2ccccc2C(F)(F)F)C[C@@H]1CCO ZINC000022932598 202094743 /nfs/dbraw/zinc/09/47/43/202094743.db2.gz DBWUKIMJRWRTSX-INIZCTEOSA-N 1 0 344.421 3.230 3 0 EGAFRO C=C1[NH2+]C(=C)C(C(=O)OC)C(c2cccc(N(C)C)c2)C1C(=O)OC ZINC000026187218 202139803 /nfs/dbraw/zinc/13/98/03/202139803.db2.gz YPCSNKBNSOBUML-LXMVLSBBSA-N 1 0 344.411 3.174 1 0 EGAFRO O[C@H]1C[NH+]=C(c2ccc(OC(F)(F)F)cc2)N[C@H]1c1ccccc1 ZINC000028948568 202179573 /nfs/dbraw/zinc/17/95/73/202179573.db2.gz IDAXMZPAWQFAEJ-GJZGRUSLSA-N 1 0 336.313 3.037 1 0 EGAFRO Cc1cc(C)n2nc(NC(=O)c3ccc([C@H]4CCC[NH2+]4)s3)cc2n1 ZINC000023192682 212359392 /nfs/dbraw/zinc/35/93/92/212359392.db2.gz DDPDOCIWVKTEHV-GFCCVEGCSA-N 1 0 341.440 3.084 1 0 EGAFRO Cn1c2c(ccc(Cl)c2Cl)c2c1C(=O)NC(C)(C)[C@H]2C[NH3+] ZINC000073198815 203259347 /nfs/dbraw/zinc/25/93/47/203259347.db2.gz SYNZAUSUEYTBPO-QMMMGPOBSA-N 1 0 326.227 3.049 1 0 EGAFRO O=S(=O)(c1ccc(F)cc1)c1ccc2c(c1)oc1c2CC[NH2+]C1 ZINC000073224738 203260543 /nfs/dbraw/zinc/26/05/43/203260543.db2.gz LUVAFCKEZBXAFJ-UHFFFAOYSA-N 1 0 331.368 3.050 1 0 EGAFRO CNc1nc2cc(-c3ccoc3)sc2c(NCCC[NH+](C)C)n1 ZINC000103263117 204070875 /nfs/dbraw/zinc/07/08/75/204070875.db2.gz LLHGZSOUXFADGZ-UHFFFAOYSA-N 1 0 331.445 3.357 1 0 EGAFRO COC1=C[C@@H]2CCC[N@H+]3CCC4=CC[C@H](OC)C[C@@]43[C@@H]2C=C1OC ZINC000085530716 560073411 /nfs/dbraw/zinc/07/34/11/560073411.db2.gz RBHHHGGATPLHFO-REGYPHIPSA-N 1 0 331.456 3.267 1 0 biogenic,in-vitro EGAFRO Cc1ccccc1OC[C@@H](O)C[NH2+]CCSCc1ccccc1 ZINC000169325893 1294369539 /nfs/dbraw/zinc/36/95/39/1294369539.db2.gz IAWZHCBZPHQUJI-SFHVURJKSA-N 1 0 331.481 3.258 1 0 EGAFRO CCOC(=O)c1cc2c(cccc2C)n1Cc1cccc(C(N)=[NH2+])c1 ZINC000003831891 210078533 /nfs/dbraw/zinc/07/85/33/210078533.db2.gz IQXHWRVIQNHBNS-UHFFFAOYSA-N 1 0 335.407 3.459 1 0 EGAFRO C[C@H]1CN(CCn2ccc3ccc(Br)cc32)C[C@H](C)[NH2+]1 ZINC000022939978 202095444 /nfs/dbraw/zinc/09/54/44/202095444.db2.gz SYRJGMVLKSMDSP-STQMWFEESA-N 1 0 336.277 3.086 1 0 EGAFRO CC[NH+](CC)[C@@H]1CCN(Cc2c[nH]nc2-c2ccc(OC)c(F)c2)C1 ZINC000022910542 202096190 /nfs/dbraw/zinc/09/61/90/202096190.db2.gz SVXXCPWGAZWILD-MRXNPFEDSA-N 1 0 346.450 3.141 3 0 EGAFRO CCCN(CC)[C@@H](C[N@H+](CC)CCC)C(=O)Nc1ccccc1OC ZINC000026005730 202137385 /nfs/dbraw/zinc/13/73/85/202137385.db2.gz ZSLVIUAPFXFIDG-SFHVURJKSA-N 1 0 349.519 3.466 1 0 EGAFRO CS(=O)(=O)c1ccc([C@H]2C[N@@H+]3CCC[C@@H]3c3ccccc32)cc1 ZINC000026666178 202146207 /nfs/dbraw/zinc/14/62/07/202146207.db2.gz VWAZBFLLAFBCKP-RTBURBONSA-N 1 0 327.449 3.373 1 0 EGAFRO CN1CC[NH+](C[C@H]2C[C@@H]3c4ccccc4Cc4ccccc4[C@H]3O2)CC1 ZINC000026668349 202146361 /nfs/dbraw/zinc/14/63/61/202146361.db2.gz URZPDWAADSKBHJ-UEVCKROQSA-N 1 0 348.490 3.452 1 0 EGAFRO C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@@H]3[C@@H](CCC[N@@H+]3CCC[C@@H](O)C3)[C@@H]12 ZINC000028016609 202164677 /nfs/dbraw/zinc/16/46/77/202164677.db2.gz MPMBYCYHKVVBJT-BCNVYZLRSA-N 1 0 349.515 3.227 1 0 EGAFRO C[NH+](C)CCn1cc(S(=O)(=O)c2ccccc2)c2ccc(F)cc21 ZINC000028385532 202170757 /nfs/dbraw/zinc/17/07/57/202170757.db2.gz CTCLQOSVYZEXJP-UHFFFAOYSA-N 1 0 346.427 3.175 1 0 EGAFRO COc1ccc(CC(=O)N[C@@H](CC[NH+](C)C)c2ccc(C)cc2)cc1 ZINC000028653961 202174636 /nfs/dbraw/zinc/17/46/36/202174636.db2.gz ARWGASRCMDRTJX-FQEVSTJZSA-N 1 0 340.467 3.355 1 0 EGAFRO c1ccc2nc(Nc3ccc(OCC[NH+]4CCCC4)cc3)nnc2c1 ZINC000028702725 202175023 /nfs/dbraw/zinc/17/50/23/202175023.db2.gz CFXNAXAPBCUUQV-UHFFFAOYSA-N 1 0 335.411 3.243 1 0 EGAFRO [NH3+]CCN(C(=O)Cc1c[nH]c2ccccc12)[C@H]1CCc2ccccc2C1 ZINC000028825779 202178011 /nfs/dbraw/zinc/17/80/11/202178011.db2.gz ZNTIGUOTNBDEAV-IBGZPJMESA-N 1 0 347.462 3.055 1 0 EGAFRO Cn1c([C@H](O)c2ccc(Cl)cc2)cnc1SCCC[NH+](C)C ZINC000040413287 202439414 /nfs/dbraw/zinc/43/94/14/202439414.db2.gz RLMPFTWBCJRGCF-OAHLLOKOSA-N 1 0 339.892 3.199 1 0 EGAFRO O=S(=O)(c1ccc2c(c1)O[C@H]1C[NH2+]CC[C@@H]21)c1ccccc1Cl ZINC000073197476 203259751 /nfs/dbraw/zinc/25/97/51/203259751.db2.gz IJACBAORMGEWJI-BBRMVZONSA-N 1 0 349.839 3.011 1 0 EGAFRO F[C@H]1CC[NH2+][C@@H]([C@@H]2COC(c3ccccc3)(c3ccccc3)O2)C1 ZINC000169331283 206552138 /nfs/dbraw/zinc/55/21/38/206552138.db2.gz OLGOYYOHTNZCEO-OTWHNJEPSA-N 1 0 327.399 3.393 1 0 EGAFRO COc1cccc(C)c1-c1nc2cc(N3CC[NH+](C)CC3)ccc2[nH]1 ZINC000587785684 1298053746 /nfs/dbraw/zinc/05/37/46/1298053746.db2.gz FLDJEICNGWYEQT-UHFFFAOYSA-N 1 0 336.439 3.299 1 0 EGAFRO CC[NH+]1CCN([C@@H]2Cn3cccc3Sc3ccc(F)cc32)CC1 ZINC000022925243 202095272 /nfs/dbraw/zinc/09/52/72/202095272.db2.gz HXNZZHNYAXGYCA-MRXNPFEDSA-N 1 0 331.460 3.471 1 0 EGAFRO OCCN1CC[NH+]([C@@H]2C[C@H](c3ccc(F)cc3)c3ccccc32)CC1 ZINC000026383867 202142568 /nfs/dbraw/zinc/14/25/68/202142568.db2.gz IEIKIDQXGHFLJU-NHCUHLMSSA-N 1 0 340.442 3.012 1 0 EGAFRO COc1ccc(OC)c(Sc2ccc(NC3=[NH+]CCN3)cc2)c1 ZINC000025999090 202137355 /nfs/dbraw/zinc/13/73/55/202137355.db2.gz WJGLKANVRMMWPC-UHFFFAOYSA-N 1 0 329.425 3.226 1 0 EGAFRO C[N@H+]1Cc2c(NC(=O)CN3CCCC3)cccc2[C@@H](c2ccccc2)C1 ZINC000028219397 202166489 /nfs/dbraw/zinc/16/64/89/202166489.db2.gz YDJJPPIMCFBACU-LJQANCHMSA-N 1 0 349.478 3.298 1 0 EGAFRO O=S(=O)(c1cccc(Cl)c1)n1c2ccccc2c2c1C[NH2+]CC2 ZINC000028524907 202171842 /nfs/dbraw/zinc/17/18/42/202171842.db2.gz MNZVXVZLOMUAKB-UHFFFAOYSA-N 1 0 346.839 3.177 1 0 EGAFRO CC(C)C[N@H+]1C[C@@H]2[C@H](CNc3nc(-c4ccccn4)cs3)[C@@H]2C1 ZINC000101637702 204016713 /nfs/dbraw/zinc/01/67/13/204016713.db2.gz ZHQZERHXDRINRI-QDMKHBRRSA-N 1 0 328.485 3.451 1 0 EGAFRO COc1ccccc1-c1nc2ccccc2c(N2CC[NH+](C)CC2)n1 ZINC000004265926 536972456 /nfs/dbraw/zinc/97/24/56/536972456.db2.gz WHXVCRCGEXFWOP-UHFFFAOYSA-N 1 0 334.423 3.057 1 0 EGAFRO CN1CCC[N@H+](CCn2ccc3ccc(Br)cc32)CC1 ZINC000022939903 202095404 /nfs/dbraw/zinc/09/54/04/202095404.db2.gz NAKAXDBDUSCXMP-UHFFFAOYSA-N 1 0 336.277 3.041 1 0 EGAFRO CC[NH+](CC)[C@H]1CCCC[C@@H]1NC(=O)c1ccc(-n2ccnc2)cc1 ZINC000026029281 202137942 /nfs/dbraw/zinc/13/79/42/202137942.db2.gz NLCAFHMLMFWKEJ-OALUTQOASA-N 1 0 340.471 3.255 1 0 EGAFRO Fc1ccc([C@@H]2[NH2+]CCO[C@@]23COC[C@H](c2ccccc2)C3)cc1 ZINC000026567105 202144874 /nfs/dbraw/zinc/14/48/74/202144874.db2.gz QRJPLDUCXKIQHR-HOJAQTOUSA-N 1 0 327.399 3.430 1 0 EGAFRO CN(CCc1ccc2c(c1)OCO2)[C@H]1CCCC[C@H]1[NH+]1CCCC1 ZINC000026838019 202149096 /nfs/dbraw/zinc/14/90/96/202149096.db2.gz IEXALIKWYRGVDA-ZWKOTPCHSA-N 1 0 330.472 3.297 1 0 EGAFRO C=C1[NH2+]C(=C)C(C(=O)OCCSCC)[C@H](C)C1C(=O)OCC ZINC000026944527 202150596 /nfs/dbraw/zinc/15/05/96/202150596.db2.gz OKWCOQICIOEJAO-QMLLPTRZSA-N 1 0 327.446 3.473 1 0 EGAFRO NC(=O)c1ccc(NC(=[NH2+])N2Cc3cccc4c3[C@H](CCC4)C2)cc1 ZINC000027765418 202160044 /nfs/dbraw/zinc/16/00/44/202160044.db2.gz JEKMDBUTBWAVIU-MRXNPFEDSA-N 1 0 334.423 3.068 1 0 EGAFRO C[C@@H]1C[C@@H]2[C@H]3Cc4ccc(O)cc4[C@@]2(CC[N@@H+]3CC2CC2)CC1=O ZINC000029218861 202183643 /nfs/dbraw/zinc/18/36/43/202183643.db2.gz QZAHEMXNNCHNHX-JRJNMRRASA-N 1 0 325.452 3.286 1 0 EGAFRO CNC(=O)c1ccc(Oc2ccc(Cl)cc2OC)c(C[NH2+]C)c1 ZINC000029129663 202181612 /nfs/dbraw/zinc/18/16/12/202181612.db2.gz FUFMKPBBSWMURG-UHFFFAOYSA-N 1 0 334.803 3.220 1 0 EGAFRO CCCn1cc(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)c2ccccc21 ZINC000029566932 202189170 /nfs/dbraw/zinc/18/91/70/202189170.db2.gz JTJIKSNRWLSIER-MQVJKMGUSA-N 1 0 325.456 3.406 1 0 EGAFRO [NH3+][C@H]1Cn2c3cc(F)ccc3nc2C[C@@H]1c1cc(F)c(F)cc1F ZINC000035930262 202311164 /nfs/dbraw/zinc/31/11/64/202311164.db2.gz BDGWBXCTQZVKNR-YGRLFVJLSA-N 1 0 335.304 3.260 1 0 EGAFRO CN(C)C1=[NH+]C[C@H](Cc2ccccc2)N1CCc1ccc(F)cc1 ZINC000036386731 202324391 /nfs/dbraw/zinc/32/43/91/202324391.db2.gz ZDSGZRKTUVWIJV-IBGZPJMESA-N 1 0 325.431 3.213 3 0 EGAFRO Oc1ccc(-c2nc(CN3CCC[C@H]3C[NH+]3CCCC3)co2)cc1 ZINC000072142850 203167637 /nfs/dbraw/zinc/16/76/37/203167637.db2.gz KHFQVYCYUCIPIK-KRWDZBQOSA-N 1 0 327.428 3.107 1 0 EGAFRO c1c[nH]c(CN2CCC([C@H]3CC[N@@H+](CCc4ccccc4)C3)CC2)n1 ZINC000015064097 203274938 /nfs/dbraw/zinc/27/49/38/203274938.db2.gz ALGHXOXAEWHOMI-FQEVSTJZSA-N 1 0 338.499 3.186 1 0 EGAFRO NC(=[NH2+])c1cccc(NC(=O)c2cccc3c2C(=O)c2ccccc2-3)c1 ZINC000095563696 203762834 /nfs/dbraw/zinc/76/28/34/203762834.db2.gz UVQCIBYFILQQQH-UHFFFAOYSA-N 1 0 341.370 3.434 1 0 EGAFRO Oc1ccc2c(c1)[C@@]13CCCC[C@]1(O)[C@@H](C2)[N@H+](CC1CCC1)CC3 ZINC000003830349 560189825 /nfs/dbraw/zinc/18/98/25/560189825.db2.gz IFKLAQQSCNILHL-HKBOAZHASA-N 1 0 327.468 3.366 1 0 in-vitro EGAFRO CC(C)(C)[NH2+]C[C@@H](O)COC(=O)C(c1ccccc1)c1ccccc1 ZINC000025969503 202137847 /nfs/dbraw/zinc/13/78/47/202137847.db2.gz PPDKDYJQYXVDBI-GOSISDBHSA-N 1 0 341.451 3.111 1 0 EGAFRO c1nc(C2(c3cocn3)C[C@@H]3c4ccccc4[C@H]2c2cccc[n+]23)co1 ZINC000026646552 202146824 /nfs/dbraw/zinc/14/68/24/202146824.db2.gz RCIYGEMOWZFNCV-XLIONFOSSA-N 1 0 342.378 3.375 1 0 EGAFRO C[NH+](C)CCCCC(=O)N1c2ccccc2C(=O)Nc2cccnc21 ZINC000036289029 202320658 /nfs/dbraw/zinc/32/06/58/202320658.db2.gz CPLCQZRQVPNBAT-UHFFFAOYSA-N 1 0 338.411 3.044 1 0 EGAFRO COc1ccc([C@H]2/C=C/C[NH2+]CC(=O)N2Cc2ccc(F)cc2)cc1 ZINC000036388512 202324243 /nfs/dbraw/zinc/32/42/43/202324243.db2.gz ILKVIYVFELVTSI-LSTKMXGYSA-N 1 0 340.398 3.064 1 0 EGAFRO Cc1ccc2ccccc2c1CCCON1C(=N)NC(=[NH2+])NC1(C)C ZINC000045226920 202546150 /nfs/dbraw/zinc/54/61/50/202546150.db2.gz UNVWSLXIKQZSCE-UHFFFAOYSA-N 1 0 339.443 3.113 1 0 EGAFRO Cc1cccc(C)c1-c1ccc2c(c1)nc(N)nc2N1CC[NH+](C)CC1 ZINC000073224590 203260722 /nfs/dbraw/zinc/26/07/22/203260722.db2.gz JYNVTOGGFAIUOG-UHFFFAOYSA-N 1 0 347.466 3.248 1 0 EGAFRO C[C@@H](O)COc1ccc2c(c1)CCC1(CC[NH+](C3CCC3)CC1)O2 ZINC000073219161 203260957 /nfs/dbraw/zinc/26/09/57/203260957.db2.gz LHJMNLIHKFESGY-OAHLLOKOSA-N 1 0 331.456 3.158 1 0 EGAFRO C[NH2+]CCC[C@H]1Cc2cc(F)ccc2N(c2ccccc2)S1(=O)=O ZINC000049072944 132430869 /nfs/dbraw/zinc/43/08/69/132430869.db2.gz JVDABEHLVBLHMY-KRWDZBQOSA-N 1 0 348.443 3.218 1 0 EGAFRO COc1cc2c(cc1OC)-c1cc3ccc(O)c(OC)c3c[n+]1CC2 ZINC000014636435 560223401 /nfs/dbraw/zinc/22/34/01/560223401.db2.gz VQSYXVWEZATIHL-UHFFFAOYSA-O 1 0 338.383 3.082 1 0 biogenic,in-vitro EGAFRO NC(=O)c1cccc2[nH]c([C@@H]3CCC[N@@H+](C4CCCC4)CC3)nc21 ZINC000040864902 581100610 /nfs/dbraw/zinc/10/06/10/581100610.db2.gz BHQQKXGTQNEJFM-CYBMUJFWSA-N 1 0 326.444 3.174 1 0 EGAFRO CN1CCC[N@H+](CCn2ccc3ccc(C(F)(F)F)cc32)CC1 ZINC000022939911 202095759 /nfs/dbraw/zinc/09/57/59/202095759.db2.gz WMVRLHZMOIYJRE-UHFFFAOYSA-N 1 0 325.378 3.298 1 0 EGAFRO OCCN1CC[NH+]([C@@H]2C[C@@H](c3ccc(F)cc3)c3ccccc32)CC1 ZINC000026383860 202142375 /nfs/dbraw/zinc/14/23/75/202142375.db2.gz IEIKIDQXGHFLJU-LEWJYISDSA-N 1 0 340.442 3.012 1 0 EGAFRO C=C1[NH2+]C(=C)C(C(=O)OCCSCC)[C@@H](C)C1C(=O)OCC ZINC000026944535 202150533 /nfs/dbraw/zinc/15/05/33/202150533.db2.gz OKWCOQICIOEJAO-ZSNVJIKNSA-N 1 0 327.446 3.473 1 0 EGAFRO CC(C)(C)C(=O)Oc1cc2c(cc1OC(=O)C(C)(C)C)C[C@@H]([NH3+])CC2 ZINC000028022218 202164788 /nfs/dbraw/zinc/16/47/88/202164788.db2.gz WNQNNGRQQDGWAX-AWEZNQCLSA-N 1 0 347.455 3.406 1 0 EGAFRO CC[NH+](CC)C[C@H](C)N[C@H]1c2ccccc2OCc2ncccc21 ZINC000027877834 202161387 /nfs/dbraw/zinc/16/13/87/202161387.db2.gz VHHNVZQSRFSBHH-MGPUTAFESA-N 1 0 325.456 3.383 1 0 EGAFRO C[NH+](C)CCCOc1cc(=O)c2c(O)cc(-c3ccccc3)oc-2c1 ZINC000028565620 202172188 /nfs/dbraw/zinc/17/21/88/202172188.db2.gz XOMHCAUGPGDGHT-UHFFFAOYSA-N 1 0 339.391 3.496 1 0 EGAFRO Clc1cccc(CN([C@H]2CC[NH2+]C2)C2CCOCC2)c1Cl ZINC000028948799 202179680 /nfs/dbraw/zinc/17/96/80/202179680.db2.gz PIMIZGGCAMLEJJ-AWEZNQCLSA-N 1 0 329.271 3.336 1 0 EGAFRO CCCCOc1ccc(-c2ccc(NC(=O)[C@@](C)([NH3+])CO)cc2)cc1 ZINC000035930414 202310199 /nfs/dbraw/zinc/31/01/99/202310199.db2.gz XJYOQTRXKFNNDN-FQEVSTJZSA-N 1 0 342.439 3.181 1 0 EGAFRO [NH3+][C@@H](Cc1ccccc1)c1nc2ccc(-c3ccncc3)cc2c(=O)[nH]1 ZINC000095591489 203764975 /nfs/dbraw/zinc/76/49/75/203764975.db2.gz VIOPPLALGHQJHU-SFHVURJKSA-N 1 0 342.402 3.228 1 0 EGAFRO CC1(C)Cc2cc(Cl)cc(C(=O)O[C@H]3C[C@H]4CC[C@@H](C3)[NH2+]4)c2O1 ZINC000103225865 204068160 /nfs/dbraw/zinc/06/81/60/204068160.db2.gz FHVXINIOWPLEOC-WDNDVIMCSA-N 1 0 335.831 3.493 1 0 EGAFRO CN1CC[NH+](C[C@@H]2C[C@@H]3c4ccccc4Cc4ccccc4[C@H]3O2)CC1 ZINC000026668345 202146176 /nfs/dbraw/zinc/14/61/76/202146176.db2.gz URZPDWAADSKBHJ-WWPVKYPJSA-N 1 0 348.490 3.452 1 0 EGAFRO c1ccc2[nH]c(NCCC[NH2+]C[C@H]3CCc4ccccc4O3)nc2c1 ZINC000026637464 202146817 /nfs/dbraw/zinc/14/68/17/202146817.db2.gz ASUZYDCLLKBKRT-MRXNPFEDSA-N 1 0 336.439 3.348 1 0 EGAFRO CC(C)[NH2+][C@H](O)COc1ccc2c(=O)cc(-c3ccccc3)oc2c1 ZINC000027102476 202151550 /nfs/dbraw/zinc/15/15/50/202151550.db2.gz NQSBUTKNMCEXFB-HXUWFJFHSA-N 1 0 339.391 3.155 1 0 EGAFRO CCC1=C(C)[NH2+][C@@H](OC)C(CCCN2C(=O)c3ccccc3C2=O)=C1 ZINC000027206969 202152586 /nfs/dbraw/zinc/15/25/86/202152586.db2.gz WGXRHKGDNSEANH-SFHVURJKSA-N 1 0 340.423 3.249 1 0 EGAFRO C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@@H]3[C@@H](CCCN3CC[NH2+][C@@H](C)C3)[C@@H]12 ZINC000028012723 202163611 /nfs/dbraw/zinc/16/36/11/202163611.db2.gz OFAPIFLQCMZNOL-NIPLRTIXSA-N 1 0 348.531 3.064 1 0 EGAFRO O=S(=O)(c1ccccc1)n1cc(C2=CC[NH2+]CC2)c2ccccc21 ZINC000028120714 202165407 /nfs/dbraw/zinc/16/54/07/202165407.db2.gz GOCDLKCFBOWAOO-UHFFFAOYSA-N 1 0 338.432 3.255 1 0 EGAFRO CC(C)(C)[NH2+]C[C@@H](O)COc1cccc2c1[C@]1(O)CCCCC[C@H]21 ZINC000027887557 202161511 /nfs/dbraw/zinc/16/15/11/202161511.db2.gz MWSAXCYTLJHCHC-KKVAFCGZSA-N 1 0 333.472 3.063 1 0 EGAFRO O=S(=O)(c1cccs1)n1cc([C@H]2CCC[NH2+]C2)c2ccccc21 ZINC000028524772 202171239 /nfs/dbraw/zinc/17/12/39/202171239.db2.gz XYVUZYKIADHQGX-ZDUSSCGKSA-N 1 0 346.477 3.407 1 0 EGAFRO COc1ccc([C@H](O)C[C@H]2[NH2+]CCc3cc(OC)c(OC)cc32)cc1 ZINC000028524458 202171494 /nfs/dbraw/zinc/17/14/94/202171494.db2.gz LFUXIUBCWODHDF-QZTJIDSGSA-N 1 0 343.423 3.023 1 0 EGAFRO COC(=O)[C@H]1[C@H]2CC[C@@H](C[C@@H]1c1ccc(-c3ccccn3)cc1)[N@@H+]2C ZINC000028565507 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O=C(Oc1ccc(Br)cc1)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000084708159 1292708913 /nfs/dbraw/zinc/70/89/13/1292708913.db2.gz NEQLCLMTLRLIDI-CYBMUJFWSA-N 1 0 339.233 3.118 1 0 EGAFRO O[C@@H](C[NH2+]CCOc1cccc2ccccc21)COc1ccccc1 ZINC000169329080 1294369700 /nfs/dbraw/zinc/36/97/00/1294369700.db2.gz BNSFUESAZIHVAJ-SFHVURJKSA-N 1 0 337.419 3.248 1 0 EGAFRO COc1cc2c(cc1OC)C(=O)[C@H](Cc1cccc(C[NH+](C)C)c1)C2 ZINC000040402569 213299195 /nfs/dbraw/zinc/29/91/95/213299195.db2.gz SJOVKGALRUSVEK-QGZVFWFLSA-N 1 0 339.435 3.363 1 0 EGAFRO C[N@@H+]1CCCN(CCn2ccc3cccc(Br)c32)CC1 ZINC000022940006 212338565 /nfs/dbraw/zinc/33/85/65/212338565.db2.gz BRQXDKAJEKLOHW-UHFFFAOYSA-N 1 0 336.277 3.041 1 0 EGAFRO O=C(c1ccc2[nH]ccc2c1)N1CCCSC[C@H]1C[NH+]1CCCC1 ZINC000085473221 217674063 /nfs/dbraw/zinc/67/40/63/217674063.db2.gz DCDDCXTVCWUOGN-QGZVFWFLSA-N 1 0 343.496 3.211 1 0 EGAFRO c1c(C2=NC[C@]3(C[NH+]4CCC3CC4)O2)c2ccccc2n1CC1CC1 ZINC000013451730 211558549 /nfs/dbraw/zinc/55/85/49/211558549.db2.gz BESMUVURBIHFQF-OAQYLSRUSA-N 1 0 335.451 3.293 1 0 EGAFRO CN1CCN(C2=[NH+]c3cscc3N(C)c3ccc(F)cc32)CC1 ZINC000049772281 214031708 /nfs/dbraw/zinc/03/17/08/214031708.db2.gz UQFJSMUDXRWDJP-UHFFFAOYSA-N 1 0 330.432 3.294 1 0 EGAFRO C=C1[NH2+]C(=C)C(C(=O)OC)C(c2ccc(N(C)C)cc2)C1C(=O)OC ZINC000101932881 219174715 /nfs/dbraw/zinc/17/47/15/219174715.db2.gz JNJVTUXXUPAJIR-PQMNFKMDSA-N 1 0 344.411 3.174 1 0 EGAFRO NCc1noc(-c2c3ccccc3nn2Cc2cccc(Cl)c2)n1 ZINC000040876694 213396503 /nfs/dbraw/zinc/39/65/03/213396503.db2.gz ZGIXYZWZFRYWHE-UHFFFAOYSA-N 1 0 339.786 3.247 1 0 EGAFRO O=S(=O)(c1cn(C2CC[NH2+]CC2)c2ccccc12)c1ccccc1 ZINC000038421969 213208375 /nfs/dbraw/zinc/20/83/75/213208375.db2.gz VDJWPWVFSZYDTQ-UHFFFAOYSA-N 1 0 340.448 3.399 1 0 in-vivo EGAFRO CCOc1ccccc1C[C@H](c1ccc(F)cc1)N1CC[NH2+]CC1 ZINC000036093232 213064032 /nfs/dbraw/zinc/06/40/32/213064032.db2.gz NJCGBANIMWAYHY-LJQANCHMSA-N 1 0 328.431 3.413 1 0 EGAFRO CC[NH+](CC)CCN[C@H]1c2cccnc2COc2c(C)cccc21 ZINC000027869848 212581406 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EGAFRO COc1cc2c(cc1OC)C(=O)[C@@H](Cc1cccc(C[NH+](C)C)c1)C2 ZINC000040402572 213298465 /nfs/dbraw/zinc/29/84/65/213298465.db2.gz SJOVKGALRUSVEK-KRWDZBQOSA-N 1 0 339.435 3.363 1 0 EGAFRO Cc1ccc2[nH]c3c(c2c1)CCN(C(=O)CC[NH3+])[C@H]3c1cccc(O)c1 ZINC000036423381 213097993 /nfs/dbraw/zinc/09/79/93/213097993.db2.gz FFVMXSODOAJZHO-NRFANRHFSA-N 1 0 349.434 3.005 1 0 EGAFRO [NH3+]CCN(C(=O)Cc1c[nH]c2ccccc12)[C@@H]1CCc2ccccc2C1 ZINC000028825778 212639123 /nfs/dbraw/zinc/63/91/23/212639123.db2.gz ZNTIGUOTNBDEAV-LJQANCHMSA-N 1 0 347.462 3.055 1 0 EGAFRO O=S(=O)(c1ccccc1)c1ccc2[nH]c3c(c2c1)[C@@H]1CC[C@H](C3)[NH2+]1 ZINC000073200476 216363198 /nfs/dbraw/zinc/36/31/98/216363198.db2.gz QKOFDMKHVZSPIF-PXAZEXFGSA-N 1 0 338.432 3.350 1 0 EGAFRO CN1CCC[N@H+](CCn2ccc3cc(Br)ccc32)CC1 ZINC000022939901 212337148 /nfs/dbraw/zinc/33/71/48/212337148.db2.gz SGZRPVACMJUUAK-UHFFFAOYSA-N 1 0 336.277 3.041 1 0 EGAFRO Fc1ccc(C(OCCN2C[C@H]3C[C@@H]2C[NH2+]3)c2ccc(F)cc2)cc1 ZINC000019365798 212021138 /nfs/dbraw/zinc/02/11/38/212021138.db2.gz TVWOZIFKHDSCPO-RTBURBONSA-N 1 0 344.405 3.117 1 0 EGAFRO O=C(NC[C@@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1)c1cccs1 ZINC000011813443 211249384 /nfs/dbraw/zinc/24/93/84/211249384.db2.gz XJNQGBIUDRSYCA-HNNXBMFYSA-N 1 0 340.492 3.357 3 0 EGAFRO Nc1nc(N)c2c([nH+]1)CC[C@H](CNc1c(Cl)cccc1Cl)C2 ZINC000003814878 210076221 /nfs/dbraw/zinc/07/62/21/210076221.db2.gz YATOXASERWLJFG-QMMMGPOBSA-N 1 0 338.242 3.165 1 0 EGAFRO Cc1ccc(=O)n([C@H]2CC[C@](C[NH3+])(c3cccc(Cl)c3)CC2)n1 ZINC000103263366 219279394 /nfs/dbraw/zinc/27/93/94/219279394.db2.gz YZLQZSUOXJJOCP-SAABIXHNSA-N 1 0 331.847 3.217 1 0 EGAFRO [NH3+]Cc1ccc2oc(=O)c(C(=O)Oc3cccc(Cl)c3)cc2c1 ZINC000039178859 213231428 /nfs/dbraw/zinc/23/14/28/213231428.db2.gz KIXWLKCEQKXUKM-UHFFFAOYSA-N 1 0 329.739 3.124 1 0 EGAFRO CCOc1ccccc1C[C@@H](c1cccc(F)c1)N1CC[NH2+]CC1 ZINC000036093227 213062071 /nfs/dbraw/zinc/06/20/71/213062071.db2.gz QXDADQKWVQYGSQ-IBGZPJMESA-N 1 0 328.431 3.413 1 0 EGAFRO O=S(=O)(c1ccc2c(c1)oc1c2CC[NH2+]C1)c1cccc(F)c1 ZINC000073224737 216367274 /nfs/dbraw/zinc/36/72/74/216367274.db2.gz WDRSQVMCYDMWAP-UHFFFAOYSA-N 1 0 331.368 3.050 1 0 EGAFRO CC(C)Oc1ccc(CN2CCC[C@H]([NH+]3CCCC3)C2)cc1CO ZINC000020166998 212108812 /nfs/dbraw/zinc/10/88/12/212108812.db2.gz GBIHCQUMMRTGLP-IBGZPJMESA-N 1 0 332.488 3.026 1 0 EGAFRO COc1ccc(CC2(CO)CC[NH+](Cc3cnc(C)s3)CC2)cc1 ZINC000012456072 211386551 /nfs/dbraw/zinc/38/65/51/211386551.db2.gz ZYTMOFNKFYESOS-UHFFFAOYSA-N 1 0 346.496 3.277 1 0 EGAFRO c1cc2c(N3CC[NH+](Cc4ccccc4)CC3)nc3cccnc3n2c1 ZINC000053294322 132187427 /nfs/dbraw/zinc/18/74/27/132187427.db2.gz QMPYBDXJTRQRLN-UHFFFAOYSA-N 1 0 343.434 3.205 1 0 EGAFRO COc1cc2c(cc1OC)-c1c(OC)c(OC)cc3c1[C@H](C2)[NH2+]CC3 ZINC000005733035 274102475 /nfs/dbraw/zinc/10/24/75/274102475.db2.gz MZSUVQFIWWXTFR-AWEZNQCLSA-N 1 0 341.407 3.131 1 0 EGAFRO C[C@H]1CC[C@H](C)[NH+]1CCCOc1ccc2c(cc3n2CCNC3=O)c1 ZINC000064548815 214791991 /nfs/dbraw/zinc/79/19/91/214791991.db2.gz QPIPBVKEZITOKG-GJZGRUSLSA-N 1 0 341.455 3.026 1 0 EGAFRO CNc1ncc2c(-c3ccccc3)nn(C[C@H]3CC[C@@H]([NH3+])CC3)c2n1 ZINC000101508986 219129761 /nfs/dbraw/zinc/12/97/61/219129761.db2.gz RENRJGXFTHYPPG-CTYIDZIISA-N 1 0 336.443 3.053 1 0 EGAFRO CN1C2=N[C@@H]3C=CC=C[C@H]3C2=C(N2CCC[N@H+](C)CC2)c2ccccc21 ZINC000169301256 530046621 /nfs/dbraw/zinc/04/66/21/530046621.db2.gz MJLWWTBAXVQCHQ-SJLPKXTDSA-N 1 0 346.478 3.008 1 0 EGAFRO Cn1cc(-c2noc([C@@H]3C[NH+]4CCC3CC4)n2)c2cc(F)ccc21 ZINC000003780324 210075589 /nfs/dbraw/zinc/07/55/89/210075589.db2.gz XFSSFBAUMQZWMO-CQSZACIVSA-N 1 0 326.375 3.177 1 0 EGAFRO C[NH+](C)CCn1c(=O)c2cc(Cl)ccc2nc1-c1ccccc1 ZINC000103218840 219271435 /nfs/dbraw/zinc/27/14/35/219271435.db2.gz JSJWHLNOCKVLRW-UHFFFAOYSA-N 1 0 327.815 3.279 1 0 EGAFRO C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](NC(=O)c1cccc3oc(C4CC4)nc31)C2 ZINC000103266998 219278816 /nfs/dbraw/zinc/27/88/16/219278816.db2.gz SFVKVHVOODTRCH-QKDCVEJESA-N 1 0 339.439 3.450 1 0 EGAFRO [NH3+]CCN[C@@H](c1ccc(Cl)cc1)c1ccc(-c2cn[nH]c2)cc1 ZINC000103265802 219279418 /nfs/dbraw/zinc/27/94/18/219279418.db2.gz WYQNADNUGPFGRG-GOSISDBHSA-N 1 0 326.831 3.368 1 0 EGAFRO C[NH2+]Cc1cc(-c2ccccc2)n(S(=O)(=O)c2ccsc2)c1 ZINC000038278387 213206266 /nfs/dbraw/zinc/20/62/66/213206266.db2.gz UKKZWIUAZVOBNP-UHFFFAOYSA-N 1 0 332.450 3.173 1 0 EGAFRO Oc1cccc([C@@]23CCC[C@@H](C2)[N@@H+](CCc2ccccc2)C[C@H]3O)c1 ZINC000073292444 216373830 /nfs/dbraw/zinc/37/38/30/216373830.db2.gz RYGOAYGVHBVXQE-KSEOMHKRSA-N 1 0 337.463 3.492 1 0 EGAFRO COc1cccc([C@H]2CN(C(=O)c3ccccc3)[C@@H]3CCC[NH2+][C@@H]32)c1 ZINC000019566450 212044532 /nfs/dbraw/zinc/04/45/32/212044532.db2.gz OOJOPZFJVFRBGJ-VAMGGRTRSA-N 1 0 336.435 3.055 1 0 EGAFRO COC(=O)[C@@H]1C[C@H]2c3cccc4c3c(cn4C(C)C)C[C@@H]2[N@H+](C)C1 ZINC000169312023 533075305 /nfs/dbraw/zinc/07/53/05/533075305.db2.gz LTGIFHAPVOBYNS-HFTRVMKXSA-N 1 0 326.440 3.355 1 0 EGAFRO Cc1cn2c3c1cc(Cl)cc3C(=O)N([C@@H]1C[NH+]3CCC1CC3)CC2 ZINC000166505582 226160753 /nfs/dbraw/zinc/16/07/53/226160753.db2.gz VVNHBZRFRXWLFQ-QGZVFWFLSA-N 1 0 343.858 3.153 1 0 EGAFRO CCC(=O)N[C@H](c1ccco1)C1=CC(Cl)[C@H]2CCC[NH2+][C@@H]2C1=O ZINC000169313013 528415163 /nfs/dbraw/zinc/41/51/63/528415163.db2.gz FMQNNZFTQVYAJX-VFVAKGGASA-N 1 0 336.819 3.164 1 0 EGAFRO COc1cc2c(cc1OC)[C@@H]1C[N@H+](C)[C@H](C2)c2cc3c(cc21)OCO3 ZINC000014421006 560221272 /nfs/dbraw/zinc/22/12/72/560221272.db2.gz CHGJYZLWIIUFAG-JKSUJKDBSA-N 1 0 339.391 3.107 1 0 biogenic,in-vitro EGAFRO [NH3+]C1CCC(Nc2cc(Cl)nc(-c3c[nH]c4ncccc34)n2)CC1 ZINC000063539782 214760976 /nfs/dbraw/zinc/76/09/76/214760976.db2.gz PUYIXDDMOUMMRR-UHFFFAOYSA-N 1 0 342.834 3.355 1 0 EGAFRO CN1C2=N[C@H]3C=CC=C[C@@H]3C2=C(N2CCC[N@H+](C)CC2)c2ccccc21 ZINC000169301254 530046666 /nfs/dbraw/zinc/04/66/66/530046666.db2.gz MJLWWTBAXVQCHQ-WMZOPIPTSA-N 1 0 346.478 3.008 1 0 EGAFRO CC[NH+](CC)CCCCN1C(=O)C[C@@]2(CCCc3ccccc32)C1=O ZINC000003628710 210069495 /nfs/dbraw/zinc/06/94/95/210069495.db2.gz HXJLUZFQBQXDAD-OAQYLSRUSA-N 1 0 342.483 3.142 1 0 EGAFRO COc1cc2c(cc1OC)[C@@H](Cc1ccc3c(c1)OCO3)[N@H+](C)CC2 ZINC000040556785 213350883 /nfs/dbraw/zinc/35/08/83/213350883.db2.gz MTXCEBJJKJATFS-MRXNPFEDSA-N 1 0 341.407 3.204 1 0 EGAFRO CN(C)C1=[NH+]C[C@H](Cc2ccccc2)N1CCc1cccc(F)c1 ZINC000036386728 213093634 /nfs/dbraw/zinc/09/36/34/213093634.db2.gz GFVDTNGHFOQCFR-IBGZPJMESA-N 1 0 325.431 3.213 3 0 EGAFRO C[C@@H]1CCC[N@@H+]1CCCOc1ccc(C2=NNC(=O)CC2(C)C)cc1 ZINC000073224203 216366967 /nfs/dbraw/zinc/36/69/67/216366967.db2.gz IOBNDNZQHVJSNG-OAHLLOKOSA-N 1 0 343.471 3.190 1 0 EGAFRO Cc1ncc2c(c1-c1noc(-c3nc(C(C)C)cs3)n1)CC[NH2+]C2 ZINC000019792781 212068036 /nfs/dbraw/zinc/06/80/36/212068036.db2.gz MQGVRMNGCXAXAV-UHFFFAOYSA-N 1 0 341.440 3.333 1 0 EGAFRO COC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1c1cccc(Br)c1)[N@@H+]2C ZINC000013826346 211646579 /nfs/dbraw/zinc/64/65/79/211646579.db2.gz ORJOVSLDGBGQAL-YJNKXOJESA-N 1 0 338.245 3.188 1 0 EGAFRO CCC[N@H+]1CCC(=O)N([C@H](COc2ccccc2)CC(C)C)CC1 ZINC000012474469 211390999 /nfs/dbraw/zinc/39/09/99/211390999.db2.gz OTNBVRFZNNLZFI-SFHVURJKSA-N 1 0 332.488 3.424 3 0 EGAFRO Cc1cc(C)nc(N=NC2=CC([NH+]3CCCCC3)CC(C)(C)C2)n1 ZINC000095351618 218285841 /nfs/dbraw/zinc/28/58/41/218285841.db2.gz RNJRMXNHUISSOO-UHFFFAOYSA-O 1 0 328.484 3.351 3 0 EGAFRO Cc1c2ccc3c(c2c[n+]2c1-c1cc4c(cc1CC2)OCO4)OCO3 ZINC000006069258 210584260 /nfs/dbraw/zinc/58/42/60/210584260.db2.gz YESPQCLKTIRGLU-UHFFFAOYSA-N 1 0 334.351 3.116 1 0 biogenic,in-vitro EGAFRO COC(=O)[C@H]1C[C@@H]2c3cccc4c3c(cn4C(C)C)C[C@@H]2[N@H+](C)C1 ZINC000169312021 533547235 /nfs/dbraw/zinc/54/72/35/533547235.db2.gz LTGIFHAPVOBYNS-LESCRADOSA-N 1 0 326.440 3.355 1 0 EGAFRO CC[NH+](CC)CCNC(=O)c1cc(Cl)c(N)c2c(C)c(C)oc21 ZINC000029324057 517638655 /nfs/dbraw/zinc/63/86/55/517638655.db2.gz ZRVXWCHHUAXJDI-UHFFFAOYSA-N 1 0 337.851 3.357 1 0 EGAFRO Cc1nn(C)c2nc3c(C)c(C)ccc3c(NCCC[NH+](C)C)c12 ZINC000169329116 534829576 /nfs/dbraw/zinc/82/95/76/534829576.db2.gz SBYYBBXYXLFWDG-UHFFFAOYSA-N 1 0 325.460 3.410 1 0 EGAFRO C=C1[NH2+]C(=C)C(C(=O)OCCSC)[C@@H](CC)C1C(=O)OCC ZINC000100038098 219088925 /nfs/dbraw/zinc/08/89/25/219088925.db2.gz BMSHIZJEAPAOIW-PRSJPOKTSA-N 1 0 327.446 3.473 1 0 EGAFRO O=C(C1CC1)N1C[C@@H]2[NH2+][C@H](C1)[C@@H]2c1ccc(-c2cccc(F)c2)cc1 ZINC000100108231 219091760 /nfs/dbraw/zinc/09/17/60/219091760.db2.gz RJDMMVWENDWXNN-PMOLBWCYSA-N 1 0 336.410 3.169 1 0 EGAFRO CC[NH+](CC)CCCN1C(=O)C[C@]2(CCCc3ccc(C)cc32)C1=O ZINC000003631707 210068539 /nfs/dbraw/zinc/06/85/39/210068539.db2.gz YSAUQLLWMBXIPG-NRFANRHFSA-N 1 0 342.483 3.060 1 0 EGAFRO C[NH+](C)[C@@H](c1ccc(OCc2ccccc2)cc1)C1COCOC1 ZINC000039215600 213233321 /nfs/dbraw/zinc/23/33/21/213233321.db2.gz XKRJHRLDOSNVTJ-FQEVSTJZSA-N 1 0 327.424 3.489 1 0 EGAFRO C[NH+]1CCN(C[C@@H](c2csc(Cl)c2)C2(O)CCCCC2)CC1 ZINC000038357080 213207097 /nfs/dbraw/zinc/20/70/97/213207097.db2.gz KHYNNQYNYMSTIB-HNNXBMFYSA-N 1 0 342.936 3.428 1 0 EGAFRO CCOc1ccccc1C[C@@H](c1ccccc1F)N1CC[NH2+]CC1 ZINC000036093225 213061251 /nfs/dbraw/zinc/06/12/51/213061251.db2.gz OOJWGIFGXZKDHN-IBGZPJMESA-N 1 0 328.431 3.413 1 0 EGAFRO C[C@@H]1CCC[N@@H+]1CCCOc1ccc(-c2cccc(=O)n2C)cc1 ZINC000073159415 216358149 /nfs/dbraw/zinc/35/81/49/216358149.db2.gz CDBMTHSLJBFRAM-MRXNPFEDSA-N 1 0 326.440 3.306 1 0 EGAFRO Fc1ccc(C(OCCN2CCC[NH2+]CC2)c2ccc(F)cc2)cc1 ZINC000022938491 212338623 /nfs/dbraw/zinc/33/86/23/212338623.db2.gz ALYNPRFOXHAEDW-UHFFFAOYSA-N 1 0 346.421 3.366 1 0 EGAFRO CCC[NH+]1CCC2(CC1)O[C@@H](OC)Cc1c2cnn1-c1ccccc1 ZINC000053299174 214176382 /nfs/dbraw/zinc/17/63/82/214176382.db2.gz CQOWRZAMLIMIMA-LJQANCHMSA-N 1 0 341.455 3.119 1 0 EGAFRO Cc1ccc([C@@H]2NC(=[NH2+])N[C@@H](c3ccc4c(c3)CCCC4)C2=O)cc1 ZINC000049785374 214032347 /nfs/dbraw/zinc/03/23/47/214032347.db2.gz VKMOFFSGTILXGI-OALUTQOASA-N 1 0 333.435 3.353 1 0 EGAFRO COc1ccccc1-c1ccc2ncnc(NC3CC[NH2+]CC3)c2c1 ZINC000004266779 210156104 /nfs/dbraw/zinc/15/61/04/210156104.db2.gz XIOQKCGUHHJYFE-UHFFFAOYSA-N 1 0 334.423 3.469 1 0 EGAFRO COc1cccc(-c2ccc3ncnc(NC4CC[NH2+]CC4)c3c2)c1 ZINC000004267244 210155203 /nfs/dbraw/zinc/15/52/03/210155203.db2.gz VXTFWKOWYOPUHZ-UHFFFAOYSA-N 1 0 334.423 3.469 1 0 EGAFRO O=C1c2cccc3c(Cl)ccc(c32)C(=O)N1[C@@H]1C[NH+]2CCC1CC2 ZINC000003782118 210074769 /nfs/dbraw/zinc/07/47/69/210074769.db2.gz GAPQCBSEPJGDFN-MRXNPFEDSA-N 1 0 340.810 3.183 1 0 EGAFRO C[NH2+]C1CN([C@@H]2c3ccccc3CSc3ccc(OC)cc32)C1 ZINC000022861929 212329617 /nfs/dbraw/zinc/32/96/17/212329617.db2.gz QGHSMRZUZSSFGC-LJQANCHMSA-N 1 0 326.465 3.294 1 0 EGAFRO CC(C)(C)C[N@@H+]1CC[C@H](C2CCN(C(=O)c3ccc(=O)[nH]c3)CC2)C1 ZINC000020774452 212170206 /nfs/dbraw/zinc/17/02/06/212170206.db2.gz NYCRJCUWQCQTHB-KRWDZBQOSA-N 1 0 345.487 3.007 1 0 EGAFRO OC1([C@@H](CN2CC[NH2+]CC2)c2ccsc2Cl)CCCCC1 ZINC000049087549 213985693 /nfs/dbraw/zinc/98/56/93/213985693.db2.gz TVEJRNDJZBJGNP-AWEZNQCLSA-N 1 0 328.909 3.086 1 0 EGAFRO CSc1nccc(N2CCC([N@H+](C)Cc3ccc(F)cc3)CC2)n1 ZINC000299862280 1296778197 /nfs/dbraw/zinc/77/81/97/1296778197.db2.gz MYMAFAMKSQCMAU-UHFFFAOYSA-N 1 0 346.475 3.438 1 0 EGAFRO C=C1[NH2+]C(=C)C(C(=O)OCC)C(c2ccccn2)C1C(=O)OCC ZINC000100015298 219088009 /nfs/dbraw/zinc/08/80/09/219088009.db2.gz RKSPDRGYXVCSEC-DXFLKOCDSA-N 1 0 330.384 3.283 1 0 EGAFRO COc1cccc(-c2nc3ccccc3c(NC3CC[NH2+]CC3)n2)c1 ZINC000004266507 210155289 /nfs/dbraw/zinc/15/52/89/210155289.db2.gz OSGOMUARXSDCJL-UHFFFAOYSA-N 1 0 334.423 3.469 1 0 EGAFRO O=C(CC[NH+]1CCC(Cc2c[nH]cn2)CC1)Nc1cccc(Cl)c1 ZINC000003919864 210094409 /nfs/dbraw/zinc/09/44/09/210094409.db2.gz CGHGXIYPAJLYNP-UHFFFAOYSA-N 1 0 346.862 3.346 1 0 EGAFRO CCCCNc1cc2cccc3c2c(c1)C(=O)N(CC[NH+](C)C)C3=O ZINC000040859893 213393132 /nfs/dbraw/zinc/39/31/32/213393132.db2.gz QTWDTENSOSWCSY-UHFFFAOYSA-N 1 0 339.439 3.209 1 0 EGAFRO Fc1cccc(F)c1-n1nc(OC2CC[NH2+]CC2)c2ccccc21 ZINC000038223494 213206390 /nfs/dbraw/zinc/20/63/90/213206390.db2.gz DVDGHCLLWLHYLG-UHFFFAOYSA-N 1 0 329.350 3.435 1 0 EGAFRO C[N@H+]1[C@@H]2CC[C@H]1CC(NC(=O)c1c3c(ccc1Cl)CC(C)(C)O3)C2 ZINC000026936368 212540763 /nfs/dbraw/zinc/54/07/63/212540763.db2.gz JGCCULDMNNKJIF-AGUYFDCRSA-N 1 0 348.874 3.409 1 0 EGAFRO C[C@@H]1CN(CCn2ccc3ccc(Br)cc32)C[C@H](C)[NH2+]1 ZINC000022939976 212337275 /nfs/dbraw/zinc/33/72/75/212337275.db2.gz SYRJGMVLKSMDSP-BETUJISGSA-N 1 0 336.277 3.086 1 0 EGAFRO COc1ccc(-c2ncc(C[NH2+][C@H]3COc4ccccc4C3)cn2)cc1 ZINC000019839681 212074483 /nfs/dbraw/zinc/07/44/83/212074483.db2.gz PVKJBOQMGSEGMI-GOSISDBHSA-N 1 0 347.418 3.246 1 0 EGAFRO C[NH+](C)CCCOc1ccc2c(c1)N(Cc1ccccc1)C(=O)CC2 ZINC000169308756 226239095 /nfs/dbraw/zinc/23/90/95/226239095.db2.gz JPMNAEZYKQANPK-UHFFFAOYSA-N 1 0 338.451 3.497 1 0 EGAFRO CC(C)COc1cccc(-c2nc3cc(F)c(C(N)=[NH2+])cc3[nH]2)c1O ZINC000005882036 581094020 /nfs/dbraw/zinc/09/40/20/581094020.db2.gz NSUDDASMRZSVON-UHFFFAOYSA-N 1 0 342.374 3.393 1 0 in-vivo EGAFRO [NH3+][C@H](C(=O)Nc1ccc(-c2cn[nH]c2)cc1)c1ccc(Cl)cc1 ZINC000062224878 214706818 /nfs/dbraw/zinc/70/68/18/214706818.db2.gz KAEBHMJJUDBKAM-INIZCTEOSA-N 1 0 326.787 3.369 1 0 EGAFRO CN(C)C(=O)N[C@H]1CC[C@@H](CC[N@@H+]2CCc3ccccc3C2)CC1 ZINC000100908807 219111302 /nfs/dbraw/zinc/11/13/02/219111302.db2.gz UNJDLBOQEKJGAH-RUCARUNLSA-N 1 0 329.488 3.265 1 0 EGAFRO COC(=O)N1CCC2(CC1)CC[NH+](Cc1ccccc1OC)CC2 ZINC000003955918 210095847 /nfs/dbraw/zinc/09/58/47/210095847.db2.gz JDMJYQWCTZJELL-UHFFFAOYSA-N 1 0 332.444 3.140 1 0 EGAFRO Nc1nc(N)c2c([nH+]1)CC[C@H](CNc1ccc(Cl)c(Cl)c1)C2 ZINC000003814890 210076707 /nfs/dbraw/zinc/07/67/07/210076707.db2.gz QOFUANCNUPCYME-QMMMGPOBSA-N 1 0 338.242 3.165 1 0 EGAFRO Cc1cc(N)c2cc(NC(=O)Cc3ccc4c(c3)OCO4)ccc2[nH+]1 ZINC000103236374 219273514 /nfs/dbraw/zinc/27/35/14/219273514.db2.gz FIUYSURTKKYEDA-UHFFFAOYSA-N 1 0 335.363 3.035 1 0 EGAFRO COc1cc2c(cc1O)CC[n+]1cc3c4c(ccc3c(C)c1-2)OCO4 ZINC000103267291 219278635 /nfs/dbraw/zinc/27/86/35/219278635.db2.gz UGJKVGSXQRPZHG-UHFFFAOYSA-O 1 0 336.367 3.102 1 0 EGAFRO [NH3+]CCCN(Cc1nc2ccccc2[nH]1)[C@@H]1CCCc2cccnc21 ZINC000038476977 213208851 /nfs/dbraw/zinc/20/88/51/213208851.db2.gz NNMQETMRHZSGJH-GOSISDBHSA-N 1 0 335.455 3.186 1 0 EGAFRO C[C@H]1C[N@@H+]2CCN(Cc3ccco3)C[C@H]2C[C@@]1(C)c1cccc(O)c1 ZINC000035075230 213006495 /nfs/dbraw/zinc/00/64/95/213006495.db2.gz RVSPXGKTWMCWAK-YRISNDGFSA-N 1 0 340.467 3.469 1 0 EGAFRO COc1cc(-c2nc(C[NH+]3CCCCC3)co2)cc(OC)c1OC ZINC000072101904 216008676 /nfs/dbraw/zinc/00/86/76/216008676.db2.gz TXSQNKZZVLZKIR-UHFFFAOYSA-N 1 0 332.400 3.353 1 0 EGAFRO C=C1[NH2+]C(=C)C(C(=O)OCC)C(c2ccccn2)C1C(=O)OCC ZINC000019201792 212003942 /nfs/dbraw/zinc/00/39/42/212003942.db2.gz RKSPDRGYXVCSEC-WECAROLCSA-N 1 0 330.384 3.283 1 0 EGAFRO Cc1cccc(C[NH+]2CCC(CO)(CCOc3ccccc3)CC2)n1 ZINC000012191784 211315876 /nfs/dbraw/zinc/31/58/76/211315876.db2.gz GKANEGPEUCGCQT-UHFFFAOYSA-N 1 0 340.467 3.434 1 0 EGAFRO [NH3+]C[C@H]1CN(c2ccc(F)cc2)C(=O)C[C@@H]1c1cc(F)ccc1F ZINC000169312400 226240437 /nfs/dbraw/zinc/24/04/37/226240437.db2.gz CYPHHHKCZJTIKY-NHYWBVRUSA-N 1 0 334.341 3.199 1 0 EGAFRO COc1cc2cc3[n+](cc2cc1OC)CCc1cc2c(cc1-3)OCO2 ZINC000006017937 560204303 /nfs/dbraw/zinc/20/43/03/560204303.db2.gz KAYNFWSKMHSNJD-UHFFFAOYSA-N 1 0 336.367 3.096 1 0 biogenic,in-vitro EGAFRO C[C@@H]1C[C@H](C)N1C(=O)[C@@H]1C=C2c3cccc4[nH]cc(c43)C[C@@H]2[N@@H+](C)C1 ZINC000027431914 581094830 /nfs/dbraw/zinc/09/48/30/581094830.db2.gz DUKNIHFTDAXJON-IZSNYMMISA-N 1 0 335.451 3.047 1 0 EGAFRO CC(=O)[C@@H]1C[C@H](O)[C@H]2[C@@H]3CC=C4C[C@@H]([NH3+])CC[C@]4(C)[C@H]3CC[C@]12C ZINC000095099508 290687607 /nfs/dbraw/zinc/68/76/07/290687607.db2.gz RDMMFHMRRFIWLP-JEJVXMLFSA-N 1 0 331.500 3.453 1 0 biogenic,in-vitro EGAFRO C=C1[NH2+]C(=C)C(C(=O)OCC)C(c2cccnc2)C1C(=O)OCC ZINC000100016138 219088045 /nfs/dbraw/zinc/08/80/45/219088045.db2.gz KTKLWCRQTCBZSK-WUVIJCSQSA-N 1 0 330.384 3.283 1 0 EGAFRO COc1cccc(-c2ccc([C@@H]3[C@@H]4CN(C(=O)C5CC5)C[C@H]3[NH2+]4)cc2)c1 ZINC000100101699 219091622 /nfs/dbraw/zinc/09/16/22/219091622.db2.gz WRIKWDSTGKCSSN-AERCQKQUSA-N 1 0 348.446 3.038 1 0 EGAFRO Nc1nc(N)c2c([nH+]1)CC[C@H](CNc1cc(Cl)ccc1Cl)C2 ZINC000003814877 210077131 /nfs/dbraw/zinc/07/71/31/210077131.db2.gz GVCZCLCMHNPXEZ-QMMMGPOBSA-N 1 0 338.242 3.165 1 0 EGAFRO [NH3+]CCN[C@H](c1ccc(Cl)cc1)c1ccc(-c2cn[nH]c2)cc1 ZINC000103265801 219279550 /nfs/dbraw/zinc/27/95/50/219279550.db2.gz WYQNADNUGPFGRG-SFHVURJKSA-N 1 0 326.831 3.368 1 0 EGAFRO C[NH+](C)[C@H](c1ccc(OCc2ccccc2)cc1)C1COCOC1 ZINC000039215601 213233110 /nfs/dbraw/zinc/23/31/10/213233110.db2.gz XKRJHRLDOSNVTJ-HXUWFJFHSA-N 1 0 327.424 3.489 1 0 EGAFRO CCN1CC2(CC[NH+](CCc3c[nH]c4ccccc34)CC2)OC1=O ZINC000028762180 212635387 /nfs/dbraw/zinc/63/53/87/212635387.db2.gz RPIPQIZUPBQNPH-UHFFFAOYSA-N 1 0 327.428 3.017 1 0 EGAFRO COc1cc(C)c2nc3n[nH]c(C)c3c(NCC3CC[NH2+]CC3)c2c1 ZINC000073167795 216359824 /nfs/dbraw/zinc/35/98/24/216359824.db2.gz OMCOUOOGAGOGRF-UHFFFAOYSA-N 1 0 339.443 3.148 1 0 EGAFRO O=S(=O)(c1ccccc1)c1ccc2[nH]c3c(c2c1)[C@H]1CC[C@@H](C3)[NH2+]1 ZINC000073200478 216363481 /nfs/dbraw/zinc/36/34/81/216363481.db2.gz QKOFDMKHVZSPIF-YVEFUNNKSA-N 1 0 338.432 3.350 1 0 EGAFRO C[NH2+]CCCNc1nc(-c2ccc(N(C)C)cc2)cc2ncccc21 ZINC000013489184 211566893 /nfs/dbraw/zinc/56/68/93/211566893.db2.gz RSDAFWNUCMGWLJ-UHFFFAOYSA-N 1 0 335.455 3.384 1 0 EGAFRO C[NH+](C)[C@H](c1cccc(OCc2ccccc2)c1)C1COCOC1 ZINC000169322983 226543800 /nfs/dbraw/zinc/54/38/00/226543800.db2.gz VOZXFGGIMZDFCI-HXUWFJFHSA-N 1 0 327.424 3.489 1 0 EGAFRO COc1cc(N)c(Cl)cc1C(=O)OCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000003824992 560189789 /nfs/dbraw/zinc/18/97/89/560189789.db2.gz BUEFUOFMOXJXAR-TXEJJXNPSA-N 1 0 340.851 3.066 1 0 in-vitro EGAFRO C[C@@H]1C[C@H](C)N1C(=O)[C@@H]1C=C2c3cccc4[nH]cc(c43)C[C@H]2[N@@H+](C)C1 ZINC000013491358 581094768 /nfs/dbraw/zinc/09/47/68/581094768.db2.gz DUKNIHFTDAXJON-FCIKYMEBSA-N 1 0 335.451 3.047 1 0 EGAFRO CO[C@H]1Cc2c(cnn2-c2ccccc2)C2(CC[NH+](C(C)C)CC2)O1 ZINC000053297650 214175803 /nfs/dbraw/zinc/17/58/03/214175803.db2.gz QHMIVZGEIZAGED-LJQANCHMSA-N 1 0 341.455 3.117 1 0 EGAFRO CNc1ncc2c(-c3ccccc3)nn(C[C@H]3CC[C@H]([NH3+])CC3)c2n1 ZINC000101508985 219129668 /nfs/dbraw/zinc/12/96/68/219129668.db2.gz RENRJGXFTHYPPG-OTVXOJSOSA-N 1 0 336.443 3.053 1 0 EGAFRO Cc1cccc(-c2nnc(N3CCC([NH+]4CCCCC4)CC3)s2)n1 ZINC000066258299 215028443 /nfs/dbraw/zinc/02/84/43/215028443.db2.gz FMTZRGIECSUADZ-UHFFFAOYSA-N 1 0 343.500 3.363 1 0 EGAFRO CC(C)NC(=O)SCC[C@@H](C[NH+](C)C)SC(=O)NC(C)C ZINC000103297110 219286181 /nfs/dbraw/zinc/28/61/81/219286181.db2.gz CDOHXILNNSWYCZ-LBPRGKRZSA-N 1 0 335.539 3.009 1 0 EGAFRO O=c1c2ccccc2ncn1-c1ccc(OCCC[NH+]2CCCC2)cc1 ZINC000040917282 213399174 /nfs/dbraw/zinc/39/91/74/213399174.db2.gz FMTBFJSXJKNLPI-UHFFFAOYSA-N 1 0 349.434 3.250 1 0 EGAFRO CC1(C)[NH2+]C(C)(C)c2cc(-c3nc4c(cccc4C(N)=O)[nH]3)ccc21 ZINC000040407838 213300641 /nfs/dbraw/zinc/30/06/41/213300641.db2.gz PHRYWTFZJOLORC-UHFFFAOYSA-N 1 0 334.423 3.402 1 0 EGAFRO C[C@H]1C[NH+](C[C@H](O)COC2CCC(C(C)(C)C)CC2)C[C@H](C)O1 ZINC000036380485 213091971 /nfs/dbraw/zinc/09/19/71/213091971.db2.gz DFRVEFDIWXCZKT-IBRUTMJSSA-N 1 0 327.509 3.078 1 0 EGAFRO C[NH2+]C[C@@H](O)[C@H](c1cccc(F)c1)N1CC(C)(C)c2cccc(F)c21 ZINC000035996051 213054509 /nfs/dbraw/zinc/05/45/09/213054509.db2.gz GSZTZHVFJNFRBY-MSOLQXFVSA-N 1 0 346.421 3.384 1 0 EGAFRO Cc1cc(NCCC[NH+](C)C)n2nc(-c3cccc(F)c3)cc2n1 ZINC000072180226 216066203 /nfs/dbraw/zinc/06/62/03/216066203.db2.gz PPXLCSZAXWLHNV-UHFFFAOYSA-N 1 0 327.407 3.207 1 0 EGAFRO CC[NH2+]C[C@H]1C[C@H]([C@@H](c2ccc(C=O)cc2)C2CCCC2)N2C[C@@H]12 ZINC000085547916 560072180 /nfs/dbraw/zinc/07/21/80/560072180.db2.gz JCPLYUDLXZBFPW-OCAHFIFXSA-N 1 0 326.484 3.455 1 0 biogenic,in-vitro EGAFRO CC[N@@H+]1CCC[C@H](Oc2ccc3[nH]c(=O)c4c(c3c2)CCSC4)C1 ZINC000049089760 581098308 /nfs/dbraw/zinc/09/83/08/581098308.db2.gz PSMLCFXRXFWWAG-AWEZNQCLSA-N 1 0 344.480 3.181 1 0 EGAFRO CCN(CC)c1ccc2cc(C(=O)Nc3ccccn3)c(=[NH2+])oc2c1 ZINC000004115957 210123787 /nfs/dbraw/zinc/12/37/87/210123787.db2.gz QXYHAXQBJNDURN-UHFFFAOYSA-N 1 0 336.395 3.406 1 0 EGAFRO O=C(C1CCC1)N(Cc1ccc(Cl)cc1Cl)[C@H]1CC[NH2+]C1 ZINC000038214163 213205875 /nfs/dbraw/zinc/20/58/75/213205875.db2.gz PXZVEYWSVBEKRN-AWEZNQCLSA-N 1 0 327.255 3.484 1 0 EGAFRO CCOc1ccccc1C[C@@H](c1ccc(F)cc1)N1CC[NH2+]CC1 ZINC000036093231 213061676 /nfs/dbraw/zinc/06/16/76/213061676.db2.gz NJCGBANIMWAYHY-IBGZPJMESA-N 1 0 328.431 3.413 1 0 EGAFRO c1ccc(C(Nc2ccnc(N3CC[NH2+]CC3)n2)c2ccccc2)cc1 ZINC000072125796 216016136 /nfs/dbraw/zinc/01/61/36/216016136.db2.gz PSBOCDRVKVEKLS-UHFFFAOYSA-N 1 0 345.450 3.088 1 0 EGAFRO CC(C)(C)C(=O)Oc1cc2c(cc1OC(=O)C(C)(C)C)C[C@H]([NH3+])CC2 ZINC000028022213 212596620 /nfs/dbraw/zinc/59/66/20/212596620.db2.gz WNQNNGRQQDGWAX-CQSZACIVSA-N 1 0 347.455 3.406 1 0 EGAFRO O=C([C@@H]1C[NH2+]C[C@H]1c1ccccc1)N1CCC(c2ccccc2)CC1 ZINC000073219494 216366018 /nfs/dbraw/zinc/36/60/18/216366018.db2.gz GWNMKQNNLDJEDC-LEWJYISDSA-N 1 0 334.463 3.396 1 0 EGAFRO O=c1ccc(-c2ccc(OC3CC[NH+](C4CCCC4)CC3)cc2)n[nH]1 ZINC000082152222 217478741 /nfs/dbraw/zinc/47/87/41/217478741.db2.gz DQUAQBPYBUZQTK-UHFFFAOYSA-N 1 0 339.439 3.223 1 0 EGAFRO C[NH+](C)CCCNC(=O)c1ccc(-c2cnc3c(O)cccc3c2)cc1 ZINC000169304248 226239481 /nfs/dbraw/zinc/23/94/81/226239481.db2.gz USYGLVCNYUDJNL-UHFFFAOYSA-N 1 0 349.434 3.289 3 0 EGAFRO NS(=O)(=O)c1ccc(Nc2ccnc3cc(Cl)ccc32)cc1 ZINC000207633818 1296095252 /nfs/dbraw/zinc/09/52/52/1296095252.db2.gz VQINXDWNGSCRBV-UHFFFAOYSA-N 1 0 333.800 3.279 1 0 EGAFRO FC(F)Oc1ccccc1C[C@H](c1ccccc1)N1CC[NH2+]CC1 ZINC000049034964 213979260 /nfs/dbraw/zinc/97/92/60/213979260.db2.gz VCVDPONUNCPTCQ-QGZVFWFLSA-N 1 0 332.394 3.477 1 0 in-vivo EGAFRO C=C1[NH2+]C(=C)C(C(=O)OCC)C(c2ccccn2)C1C(=O)OCC ZINC000101613792 219146344 /nfs/dbraw/zinc/14/63/44/219146344.db2.gz RKSPDRGYXVCSEC-WUVIJCSQSA-N 1 0 330.384 3.283 1 0 EGAFRO C[N@@H+]1CC[C@H](c2cn(S(=O)(=O)c3ccccc3)c3ccccc23)C1 ZINC000072177318 216065772 /nfs/dbraw/zinc/06/57/72/216065772.db2.gz UEMBANHXOBGHAG-HNNXBMFYSA-N 1 0 340.448 3.297 1 0 EGAFRO CC[NH+](CC)CCN1C(=O)CS[C@@H]1C12CC3CC(CC(C3)C1)C2 ZINC000028713222 212633153 /nfs/dbraw/zinc/63/31/53/212633153.db2.gz DUSDUPPQEQQINI-CHNSHAQVSA-N 1 0 336.545 3.446 1 0 EGAFRO COc1ccc([C@@H](O)C[C@H]2[NH2+]CCc3cc(OC)c(OC)cc32)cc1 ZINC000028524943 212622898 /nfs/dbraw/zinc/62/28/98/212622898.db2.gz LFUXIUBCWODHDF-MSOLQXFVSA-N 1 0 343.423 3.023 1 0 EGAFRO Cc1cc(=O)[nH]nc1-c1ccc(OC2CC[NH+](C3CCC3)CC2)cc1 ZINC000073200252 216363372 /nfs/dbraw/zinc/36/33/72/216363372.db2.gz UINCAURBECEZLK-UHFFFAOYSA-N 1 0 339.439 3.141 1 0 EGAFRO COc1cc(Cl)cc(CN2CCC[C@H]([NH+]3CCCC3)C2)c1OC ZINC000022919659 212334425 /nfs/dbraw/zinc/33/44/25/212334425.db2.gz QJHZFYRSNRLJLJ-INIZCTEOSA-N 1 0 338.879 3.417 1 0 EGAFRO Cc1cc(NC(=O)Nc2ccc(F)c(F)c2)n(-c2cc[nH+]cc2)n1 ZINC000096273841 1292949669 /nfs/dbraw/zinc/94/96/69/1292949669.db2.gz JKIMRYPNCLSUKU-UHFFFAOYSA-N 1 0 329.310 3.498 1 0 EGAFRO O=C1N(C[C@@H]2CCCC[NH2+]2)CCN1c1cccc(C(F)(F)F)c1 ZINC000049053895 213982093 /nfs/dbraw/zinc/98/20/93/213982093.db2.gz AREYZFZATPKFNP-ZDUSSCGKSA-N 1 0 327.350 3.090 1 0 EGAFRO CCc1cc2c(s1)Nc1ccc(F)cc1N=C2N1CC[NH2+]CC1 ZINC000101109539 219115780 /nfs/dbraw/zinc/11/57/80/219115780.db2.gz OYHCGPHRDGJFPC-UHFFFAOYSA-N 1 0 330.432 3.490 1 0 EGAFRO NC(=O)c1cccc(N[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c1 ZINC000101363756 219124488 /nfs/dbraw/zinc/12/44/88/219124488.db2.gz YUVVBGVQWMKSGU-ACDBMABISA-N 1 0 335.451 3.393 1 0 EGAFRO COC(=O)N1CCC2(CCC[N@H+](Cc3ccccc3OC)C2)CC1 ZINC000003955873 210095749 /nfs/dbraw/zinc/09/57/49/210095749.db2.gz PAJSQIJTMBSDHL-UHFFFAOYSA-N 1 0 332.444 3.140 1 0 EGAFRO O=C1N(c2cc(Cl)cc(Cl)c2)CCN1[C@@H]1C[NH+]2CCC1CC2 ZINC000003782637 210074836 /nfs/dbraw/zinc/07/48/36/210074836.db2.gz UPZCJUXKSYTGKU-OAHLLOKOSA-N 1 0 340.254 3.330 1 0 EGAFRO CCOc1ccc(C[N@@H+]2CC[C@@](C)(O)[C@@H](Cc3ccccc3)C2)cn1 ZINC000067561240 215162142 /nfs/dbraw/zinc/16/21/42/215162142.db2.gz UBKDMUHLFXFYLC-PZJWPPBQSA-N 1 0 340.467 3.296 1 0 EGAFRO COc1ccccc1CNC(=O)Nc1ccc2[nH+]c(C)cc(N)c2c1 ZINC000103236362 219273675 /nfs/dbraw/zinc/27/36/75/219273675.db2.gz LSFJPPDHCVZFRX-UHFFFAOYSA-N 1 0 336.395 3.456 1 0 EGAFRO COc1ncccc1CCC(=O)Nc1ccc2[nH+]c(C)cc(N)c2c1 ZINC000103236337 219273868 /nfs/dbraw/zinc/27/38/68/219273868.db2.gz 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ATCMRGMIYIPJQT-UHFFFAOYSA-N 1 0 338.386 3.313 1 0 EGAFRO C[C@@H]([NH3+])c1nnc2n1-c1ccccc1C(c1ccccc1Cl)=NC2 ZINC000027320179 212553632 /nfs/dbraw/zinc/55/36/32/212553632.db2.gz YQQSUBSJPSSJLE-LLVKDONJSA-N 1 0 337.814 3.291 1 0 EGAFRO O=C1C[C@@H](C[NH+]2CCN(Cc3ccccc3)CC2)Cc2ccccc21 ZINC000022933159 212335768 /nfs/dbraw/zinc/33/57/68/212335768.db2.gz CXIPMENSBSJLHY-IBGZPJMESA-N 1 0 334.463 3.250 1 0 EGAFRO Cc1ncc2c(c1-c1noc(-c3ccnc4ccccc43)n1)CC[NH2+]C2 ZINC000020820124 212173887 /nfs/dbraw/zinc/17/38/87/212173887.db2.gz IGHLFGHAJPUCII-UHFFFAOYSA-N 1 0 343.390 3.301 1 0 EGAFRO COc1ccc(CC(=O)N2CCC[C@@H]([NH3+])[C@@H]2c2ccccc2F)cc1 ZINC000019554248 212041214 /nfs/dbraw/zinc/04/12/14/212041214.db2.gz WIKDNOJPWKMHTJ-QUCCMNQESA-N 1 0 342.414 3.068 1 0 EGAFRO Cc1ccccc1OC[C@H](O)C[NH2+]CCSCc1ccccc1 ZINC000169325895 1294369570 /nfs/dbraw/zinc/36/95/70/1294369570.db2.gz IAWZHCBZPHQUJI-GOSISDBHSA-N 1 0 331.481 3.258 1 0 EGAFRO CC[C@H]1[N@H+](Cc2ccc(F)cc2)CCC[C@]12CCC(=O)N2CCOC ZINC000299842510 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/nfs/dbraw/zinc/29/78/08/213297808.db2.gz BGQYUSCFJWWBHR-UHFFFAOYSA-N 1 0 346.496 3.383 1 0 EGAFRO COc1ccc([C@@H]2/C=C/C[NH2+]CC(=O)N2Cc2ccc(F)cc2)cc1 ZINC000034961569 213001943 /nfs/dbraw/zinc/00/19/43/213001943.db2.gz ILKVIYVFELVTSI-PHXNAMCJSA-N 1 0 340.398 3.064 1 0 EGAFRO Oc1ccc(-c2nc(CN3CC[NH+](C4CCCCC4)CC3)co2)cc1 ZINC000072185530 216067671 /nfs/dbraw/zinc/06/76/71/216067671.db2.gz AJKJJGLRQMAHJC-UHFFFAOYSA-N 1 0 341.455 3.498 1 0 EGAFRO Clc1c[nH]c2ncnc(N3CC4(CC[NH2+]CC4)c4ccccc43)c12 ZINC000029047478 212649936 /nfs/dbraw/zinc/64/99/36/212649936.db2.gz YLRSPXDEXXKFBG-UHFFFAOYSA-N 1 0 339.830 3.384 1 0 EGAFRO CC[NH+](CC)CCn1c2ccccc2nc1Cn1nc2ccccc2n1 ZINC000026253969 212512021 /nfs/dbraw/zinc/51/20/21/212512021.db2.gz ACBOLZDTMZPNAW-UHFFFAOYSA-N 1 0 348.454 3.171 1 0 EGAFRO C[NH+](C)CCOc1cc(=O)c2c(O)cc(-c3ccccc3)oc-2c1 ZINC000103289513 219284149 /nfs/dbraw/zinc/28/41/49/219284149.db2.gz ASRPVWOICPHCSL-UHFFFAOYSA-N 1 0 325.364 3.106 1 0 EGAFRO [NH3+]CCNc1cc(-c2ccnc(Nc3cccc(Cl)c3)n2)ccn1 ZINC000001541870 209759237 /nfs/dbraw/zinc/75/92/37/209759237.db2.gz OGZKVNUWPYUXNL-UHFFFAOYSA-N 1 0 340.818 3.306 1 0 in-vitro EGAFRO CCOc1ccccc1C[C@H](c1ccccc1F)N1CC[NH2+]CC1 ZINC000036093226 213061914 /nfs/dbraw/zinc/06/19/14/213061914.db2.gz OOJWGIFGXZKDHN-LJQANCHMSA-N 1 0 328.431 3.413 1 0 EGAFRO C[C@@H]1CCC[N@@H+]1CCCOc1ccc(-c2ccc(=O)n(C)c2)cc1 ZINC000073168729 216359881 /nfs/dbraw/zinc/35/98/81/216359881.db2.gz MCNAJLPLCULBOJ-MRXNPFEDSA-N 1 0 326.440 3.306 1 0 EGAFRO C[NH+]1CCN(Cc2cn(-c3ccccc3)c(-c3ccccc3)n2)CC1 ZINC000022927697 212336837 /nfs/dbraw/zinc/33/68/37/212336837.db2.gz HQPLZLFCIJHWSF-UHFFFAOYSA-N 1 0 332.451 3.287 1 0 EGAFRO O=C1C[C@H](C[NH+]2CCN(Cc3ccccc3)CC2)Cc2ccccc21 ZINC000022933161 212336231 /nfs/dbraw/zinc/33/62/31/212336231.db2.gz CXIPMENSBSJLHY-LJQANCHMSA-N 1 0 334.463 3.250 1 0 EGAFRO Clc1ccc(-c2noc3ncnc(NCC[NH+]4CCCC4)c32)cc1 ZINC000020329740 212119425 /nfs/dbraw/zinc/11/94/25/212119425.db2.gz 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OQJPSRDMUHEIGX-ISARSNTHSA-N 1 0 326.440 3.308 1 0 EGAFRO COC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1c1ccc(-c3ccccn3)cc1)[N@@H+]2C ZINC000028565505 202173091 /nfs/dbraw/zinc/17/30/91/202173091.db2.gz GGSMUQJJLOHRLS-CUDHKJQZSA-N 1 0 336.435 3.488 1 0 EGAFRO C[C@H]1C[C@H]2[C@@H]3Cc4ccc(O)cc4[C@]2(CC[N@@H+]3CC2CC2)CC1=O ZINC000029219902 202182828 /nfs/dbraw/zinc/18/28/28/202182828.db2.gz QZAHEMXNNCHNHX-WXOSOQMESA-N 1 0 325.452 3.286 1 0 EGAFRO COc1ccc2c(c1OC)-c1c(OC)c(OC)cc3c1[C@H](C2)[NH2+]CC3 ZINC000014725362 201059616 /nfs/dbraw/zinc/05/96/16/201059616.db2.gz YEWPMADNGXMMLJ-ZDUSSCGKSA-N 1 0 341.407 3.131 1 0 EGAFRO Cc1cccc(Cc2nn(C[C@H]3CCC[N@H+]3C)c(=O)c3ccccc32)c1 ZINC000071318749 203092911 /nfs/dbraw/zinc/09/29/11/203092911.db2.gz YMFHXRKTKHBRIX-GOSISDBHSA-N 1 0 347.462 3.390 1 0 EGAFRO N=C(Nc1ccc2c(c1)N(C1CC[NH2+]CC1)CC2)c1cccs1 ZINC000073311171 203263411 /nfs/dbraw/zinc/26/34/11/203263411.db2.gz UPJPJWIIGRLJBK-UHFFFAOYSA-N 1 0 326.469 3.300 1 0 EGAFRO CCOc1ccc(C[NH2+]CCCNC(=O)Nc2ccccc2)cc1 ZINC000095578988 203764244 /nfs/dbraw/zinc/76/42/44/203764244.db2.gz DPIOOXIHWXWMFI-UHFFFAOYSA-N 1 0 327.428 3.387 1 0 EGAFRO Cc1ccc(=O)n(-c2ccc(OCCC[NH+]3CCCCC3)cc2)c1 ZINC000103233132 204069668 /nfs/dbraw/zinc/06/96/68/204069668.db2.gz MNQRLBOUFMWQFR-UHFFFAOYSA-N 1 0 326.440 3.401 1 0 EGAFRO CNc1nc2cc(-c3ccccc3)oc2c(NCCC[NH+](C)C)n1 ZINC000103263060 204069851 /nfs/dbraw/zinc/06/98/51/204069851.db2.gz SAOMQMIYEHWAHU-UHFFFAOYSA-N 1 0 325.416 3.295 1 0 EGAFRO COCc1ccc(O)cc1CC[N@H+](C)[C@@H](C)[C@H](O)c1ccccc1 ZINC000085486958 560076099 /nfs/dbraw/zinc/07/60/99/560076099.db2.gz KVIVHSUTDIVZMW-YWZLYKJASA-N 1 0 329.440 3.135 1 0 biogenic,in-vitro EGAFRO CCOC(=O)COc1ccc(-c2ccc(OCC[NH+](C)C)cc2)cc1 ZINC000095555034 1292944873 /nfs/dbraw/zinc/94/48/73/1292944873.db2.gz SFRFLZZJXHPUPP-UHFFFAOYSA-N 1 0 343.423 3.236 1 0 EGAFRO C=C1[NH2+]C(=C)C(C(=O)OCC)C(c2ccncc2)C1C(=O)OCC ZINC000019229220 202000836 /nfs/dbraw/zinc/00/08/36/202000836.db2.gz ODWQJYJOCYYBEY-WECAROLCSA-N 1 0 330.384 3.283 1 0 EGAFRO O=c1ccc2ccc(CN3CC[NH+](Cc4ccccc4)CC3)cc2o1 ZINC000022939385 202094654 /nfs/dbraw/zinc/09/46/54/202094654.db2.gz QOHYXHDSILDRGN-UHFFFAOYSA-N 1 0 334.419 3.111 1 0 EGAFRO CC[NH+](CC)CCn1c2ccccc2nc1Cn1nnc2ccccc21 ZINC000026260294 202139707 /nfs/dbraw/zinc/13/97/07/202139707.db2.gz DOPQBCXPOQSTLZ-UHFFFAOYSA-N 1 0 348.454 3.171 1 0 EGAFRO CN1C[C@H](CC[NH+](C)C)Oc2ncc(-c3ccccc3)cc2C1=S ZINC000026287791 202141406 /nfs/dbraw/zinc/14/14/06/202141406.db2.gz KHOGUEMVNJVYCU-INIZCTEOSA-N 1 0 341.480 3.069 1 0 EGAFRO COc1ccc(C[C@@H](O)C[NH+]2CCC(c3ccccc3)CC2)cc1 ZINC000026578676 202145116 /nfs/dbraw/zinc/14/51/16/202145116.db2.gz ZKKSPCRULFRHQE-HXUWFJFHSA-N 1 0 325.452 3.478 1 0 EGAFRO C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@@H]3[C@@H](CCC[N@@H+]3CCC[C@H](O)C3)[C@@H]12 ZINC000028016614 202164839 /nfs/dbraw/zinc/16/48/39/202164839.db2.gz MPMBYCYHKVVBJT-ONDWCAEFSA-N 1 0 349.515 3.227 1 0 EGAFRO COc1ccc(-n2nc(-c3ccccc3)n[n+]2-c2ccccc2)cc1 ZINC000029131348 202182387 /nfs/dbraw/zinc/18/23/87/202182387.db2.gz WSPHYMPLVNFPHS-UHFFFAOYSA-N 1 0 329.383 3.220 1 0 EGAFRO CC1(C)[NH2+]C(C)(C)c2sc(-c3nc4c(cccc4C(N)=O)[nH]3)cc21 ZINC000036375199 202323361 /nfs/dbraw/zinc/32/33/61/202323361.db2.gz JLZVGUKETWQLKR-UHFFFAOYSA-N 1 0 340.452 3.464 1 0 EGAFRO CCC[NH+]1CCC2(CC1)O[C@H](OC)Cc1c2cnn1-c1ccccc1 ZINC000072114445 203164061 /nfs/dbraw/zinc/16/40/61/203164061.db2.gz CQOWRZAMLIMIMA-IBGZPJMESA-N 1 0 341.455 3.119 1 0 EGAFRO COc1ccc([C@@H]2Nc3cc(OC)c(OC)cc3C(C)[N+]2=O)cc1 ZINC000100773829 203997564 /nfs/dbraw/zinc/99/75/64/203997564.db2.gz ATOWZEADPUXGFP-GOSISDBHSA-N 1 0 328.368 3.156 1 0 EGAFRO NC(=O)c1cccc(O[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C2CCCCC2)c1 ZINC000101366422 204004725 /nfs/dbraw/zinc/00/47/25/204004725.db2.gz ALLBEOBPSZQTFY-IZZQQSIFSA-N 1 0 328.456 3.492 1 0 EGAFRO Cn1ccnc1CN1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1F)C2 ZINC000011664002 211231615 /nfs/dbraw/zinc/23/16/15/211231615.db2.gz WDTIWHLWNIQDTC-FQEVSTJZSA-N 1 0 342.462 3.047 1 0 EGAFRO COc1cc(N)c(Cl)cc1C(=O)OCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000000021020 560176810 /nfs/dbraw/zinc/17/68/10/560176810.db2.gz BUEFUOFMOXJXAR-VXGBXAGGSA-N 1 0 340.851 3.066 1 0 in-vitro EGAFRO Cc1[nH]c2cccc3c2c1C[C@@H]1[C@@H]3C[C@H](NC(=O)C(C)(C)C)C[N@H+]1C ZINC000003802834 210075229 /nfs/dbraw/zinc/07/52/29/210075229.db2.gz ZNMWUMGOSWLWOH-FDQGKXFDSA-N 1 0 339.483 3.351 1 0 EGAFRO CCC(=O)Nc1cccc2c(OC[C@H](O)[C@H](C)[NH2+]C(C)C)cccc12 ZINC000028767766 202176432 /nfs/dbraw/zinc/17/64/32/202176432.db2.gz AZLDEGGPCJQDTC-KSSFIOAISA-N 1 0 344.455 3.315 1 0 EGAFRO O=C1C[C@H](CC[NH+]2CCN(c3ccccn3)CC2)Cc2ccccc21 ZINC000028472069 202171257 /nfs/dbraw/zinc/17/12/57/202171257.db2.gz VZEJRFREYPGBOV-QGZVFWFLSA-N 1 0 335.451 3.039 1 0 EGAFRO [NH3+]C/C=C/CN(Cc1nc2ccccc2[nH]1)[C@H]1CCCc2cccnc21 ZINC000034373198 202272678 /nfs/dbraw/zinc/27/26/78/202272678.db2.gz SSNIKZLGJOBHFQ-RTLBZRNLSA-N 1 0 347.466 3.352 1 0 EGAFRO C[C@H](O)COc1ccc2c(c1)CCC1(CC[NH+](C3CCC3)CC1)O2 ZINC000073219157 203260866 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COc1cc(Cl)ccc1O[C@H](c1ccccc1)[C@@H]1C[NH2+]CCO1 ZINC000029048704 202180687 /nfs/dbraw/zinc/18/06/87/202180687.db2.gz PVISFTMIHRDVDS-ZWKOTPCHSA-N 1 0 333.815 3.457 1 0 in-vitro EGAFRO COc1cc(Cl)ccc1O[C@H](c1ccccc1)[C@H]1C[NH2+]CCO1 ZINC000029048530 202181047 /nfs/dbraw/zinc/18/10/47/202181047.db2.gz PVISFTMIHRDVDS-QZTJIDSGSA-N 1 0 333.815 3.457 1 0 in-vitro EGAFRO C[C@H]1CC(=O)C[C@]23CC[N@H+](CC4CC4)[C@H](Cc4ccc(O)cc42)[C@H]13 ZINC000034347845 202272445 /nfs/dbraw/zinc/27/24/45/202272445.db2.gz LHBKJDAAKOBCFF-DJJREKMQSA-N 1 0 325.452 3.286 1 0 EGAFRO COc1ccccc1C[NH2+][C@H]1C2CCN(CC2)[C@H]1Cc1ccccc1 ZINC000036323637 202320944 /nfs/dbraw/zinc/32/09/44/202320944.db2.gz JTNZAZWXIUSVNY-UNMCSNQZSA-N 1 0 336.479 3.490 1 0 EGAFRO COc1ccc(OC)c2c1C[C@@H]1[NH2+]C[C@H]2c2c(OC)ccc(OC)c21 ZINC000045324403 202549320 /nfs/dbraw/zinc/54/93/20/202549320.db2.gz WUTMEYDMPWCKHH-OLZOCXBDSA-N 1 0 341.407 3.053 1 0 EGAFRO COc1ccc(CC(=O)N(C)[C@@H]2CCCC[C@@H]2[NH+]2CCCC2)cc1 ZINC000006018053 201670638 /nfs/dbraw/zinc/67/06/38/201670638.db2.gz DYSBBWUPHWMEHV-MOPGFXCFSA-N 1 0 330.472 3.103 1 0 EGAFRO O[C@@]1(c2ccc(Cl)cc2)C[n+]2cccnc2N1C1CCCCCC1 ZINC000072112192 203163157 /nfs/dbraw/zinc/16/31/57/203163157.db2.gz DSJBORBUJGPIOD-LJQANCHMSA-N 1 0 344.866 3.411 1 0 EGAFRO CCNc1ccc2nc3c(c(C)nn3C)c(NCCC[NH+](C)C)c2c1 ZINC000169329676 206551241 /nfs/dbraw/zinc/55/12/41/206551241.db2.gz LGBUXMHYYODJLB-UHFFFAOYSA-N 1 0 340.475 3.225 1 0 EGAFRO [NH3+]CCc1cn(S(=O)(=O)c2ccc(Cl)s2)c2ccccc12 ZINC000014975936 201945622 /nfs/dbraw/zinc/94/56/22/201945622.db2.gz FSQBPWLJULPEEW-UHFFFAOYSA-N 1 0 340.857 3.094 1 0 EGAFRO C[C@H]([NH3+])c1nnc2n1-c1ccc(Cl)cc1C(c1ccccc1)=NC2 ZINC000027317828 202154225 /nfs/dbraw/zinc/15/42/25/202154225.db2.gz ZIQOPTLEAFSOCY-NSHDSACASA-N 1 0 337.814 3.291 1 0 EGAFRO O=C1NCN(c2ccccc2)C12CC[NH+](C1CCCCCC1)CC2 ZINC000027899632 202161841 /nfs/dbraw/zinc/16/18/41/202161841.db2.gz RGDIYOGVVZQMPX-UHFFFAOYSA-N 1 0 327.472 3.138 1 0 EGAFRO COC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1c1ccc(-c3cccnc3)cc1)[N@@H+]2C ZINC000028565881 202172993 /nfs/dbraw/zinc/17/29/93/202172993.db2.gz NXORWCWVGVRNEV-NMLBUPMWSA-N 1 0 336.435 3.488 1 0 EGAFRO C[C@@H]1C[C@@H]2[C@@H]3Cc4ccc(O)cc4[C@]2(CC[N@@H+]3CC2CC2)CC1=O ZINC000029218866 202182961 /nfs/dbraw/zinc/18/29/61/202182961.db2.gz QZAHEMXNNCHNHX-YDUONIPWSA-N 1 0 325.452 3.286 1 0 EGAFRO c1ccc2c(c1)C1CC2(C[NH2+]CCCN2CCOCC2)c2ccccc21 ZINC000029481842 202188006 /nfs/dbraw/zinc/18/80/06/202188006.db2.gz KJXQKZMVOXASOQ-UHFFFAOYSA-N 1 0 348.490 3.134 1 0 EGAFRO C[NH2+]Cc1nnc(C)n1-c1ccc(Cl)cc1C(=O)c1ccccc1 ZINC000033903101 212968952 /nfs/dbraw/zinc/96/89/52/212968952.db2.gz ZDGKGWMHTJKUJI-UHFFFAOYSA-N 1 0 340.814 3.180 1 0 EGAFRO CO[C@@H]1O[C@](C)(c2ccc(-c3ccccc3)cc2)[C@@H](O)C[C@@H]1[NH+](C)C ZINC000033815037 202270296 /nfs/dbraw/zinc/27/02/96/202270296.db2.gz CCZCVKJXNJHBNZ-UWHLTILDSA-N 1 0 341.451 3.253 1 0 EGAFRO C=C(c1c(C)ccc(C)c1OC[C@@H](O)C[NH2+]C(C)(C)C)n1ccnc1 ZINC000040467002 202441921 /nfs/dbraw/zinc/44/19/21/202441921.db2.gz ZCNGEUDRECUQGP-KRWDZBQOSA-N 1 0 343.471 3.147 1 0 EGAFRO CC(C)(C)c1cc(=O)[nH]c(-c2cccc(C[NH+]3CCSCC3)c2)n1 ZINC000020515930 212142770 /nfs/dbraw/zinc/14/27/70/212142770.db2.gz ARBJELRZEAQOAN-UHFFFAOYSA-N 1 0 343.496 3.283 1 0 EGAFRO C[NH+](C)CCOc1ccc2c(c1)occ(-c1ccc(O)cc1)c2=O ZINC000103240653 204069336 /nfs/dbraw/zinc/06/93/36/204069336.db2.gz FGDAXVSWOUJWBD-UHFFFAOYSA-N 1 0 325.364 3.106 1 0 EGAFRO CC1=C[C@]23CC(=O)[C@@H]4[C@]56CCC[C@@]4(C)C[N@H+](CCO)[C@@H]5[C@H]2C[C@H]1C[C@H]36 ZINC000095918714 560054313 /nfs/dbraw/zinc/05/43/13/560054313.db2.gz WPALKPOGFCZSHT-PVOZCVFRSA-N 1 0 341.495 3.031 1 0 biogenic,in-vitro EGAFRO COc1cc(N)c(Cl)cc1C(=O)OCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000000021019 560176775 /nfs/dbraw/zinc/17/67/75/560176775.db2.gz BUEFUOFMOXJXAR-RYUDHWBXSA-N 1 0 340.851 3.066 1 0 in-vitro EGAFRO CC[C@@H]1[N@H+](Cc2cc(OC)cc(OC)c2)CCC[C@]12CCC(=O)N2C ZINC000096092049 1292947508 /nfs/dbraw/zinc/94/75/08/1292947508.db2.gz IZWUDAIRPJLBGJ-ICSRJNTNSA-N 1 0 346.471 3.069 1 0 EGAFRO C[NH2+][C@@H]1CC[C@@]23[C@@H](C[C@@]24CCC[C@@H]14)[C@@]1(O)CCC[C@](C)(C1)C[C@@H]3O ZINC000085547476 290990478 /nfs/dbraw/zinc/99/04/78/290990478.db2.gz GVKKMXCORAWEQD-CYPDMGDPSA-N 1 0 333.516 3.237 1 0 biogenic,in-vitro EGAFRO OCC[C@@H]1CN(Cc2c(F)cccc2Cl)CC[N@@H+]1C1CCCC1 ZINC000022932895 202096101 /nfs/dbraw/zinc/09/61/01/202096101.db2.gz QUKVHMIEEWVWPU-OAHLLOKOSA-N 1 0 340.870 3.290 3 0 EGAFRO C[NH+](C)CCN1C(=O)c2cccc3cc(-c4ccco4)cc(c32)C1=O ZINC000026292985 202141210 /nfs/dbraw/zinc/14/12/10/202141210.db2.gz DTUYPECWAYXFGV-UHFFFAOYSA-N 1 0 334.375 3.257 1 0 EGAFRO CCOC(=O)[C@H]1[C@H]2CC[C@@H](C[C@@H]1c1ccc(-c3cccn3C)cc1)[NH2+]2 ZINC000027551146 202156772 /nfs/dbraw/zinc/15/67/72/202156772.db2.gz GTYWOJXLKBBLCQ-JRBPQWBISA-N 1 0 338.451 3.479 1 0 EGAFRO COc1cc(N)c(Cl)cc1NC(=O)CCC[NH+]1CCCCC1 ZINC000029477363 202187554 /nfs/dbraw/zinc/18/75/54/202187554.db2.gz IAIDRCCEGXKSMQ-UHFFFAOYSA-N 1 0 325.840 3.135 1 0 EGAFRO CC[C@@H](C)n1nc(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)c2ccccc21 ZINC000029570765 202189162 /nfs/dbraw/zinc/18/91/62/202189162.db2.gz MFOJQKDFBGAHGQ-WZYMTQMTSA-N 1 0 340.471 3.362 1 0 EGAFRO CCOc1ccccc1C[C@H](c1cccc(F)c1)N1CC[NH2+]CC1 ZINC000036093228 202314286 /nfs/dbraw/zinc/31/42/86/202314286.db2.gz QXDADQKWVQYGSQ-LJQANCHMSA-N 1 0 328.431 3.413 1 0 EGAFRO CCOCCN(Cc1ccc(F)cc1C(F)(F)F)C1CC[NH2+]CC1 ZINC000036093149 202314980 /nfs/dbraw/zinc/31/49/80/202314980.db2.gz GMDRXCUFTDLBPO-UHFFFAOYSA-N 1 0 348.384 3.435 1 0 EGAFRO CC[N@@H+]1CCC[C@H](OC(=O)[C@@](O)(c2ccccc2)C2CCCC2)C1 ZINC000005341390 201362231 /nfs/dbraw/zinc/36/22/31/201362231.db2.gz OAWRXBDGRIPUMA-AZUAARDMSA-N 1 0 331.456 3.092 1 0 EGAFRO O=S(=O)(c1cn([C@@H]2CC[NH2+]C2)c2ccccc12)c1ccccc1 ZINC000013975496 201366355 /nfs/dbraw/zinc/36/63/55/201366355.db2.gz RLICEYAZXFQQMC-CQSZACIVSA-N 1 0 326.421 3.009 1 0 in-vivo EGAFRO Nc1nc2ccccc2nc1C(=O)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000073200438 203260048 /nfs/dbraw/zinc/26/00/48/203260048.db2.gz MTDODFSDMGLTDF-UHFFFAOYSA-N 1 0 347.422 3.060 1 0 EGAFRO COc1ccc([C@@H]2[NH2+]Cc3ccc4c(c3-n3cccc32)OCO4)cc1 ZINC000075201437 203309161 /nfs/dbraw/zinc/30/91/61/203309161.db2.gz ILRPVBDHCZHWCB-SFHVURJKSA-N 1 0 334.375 3.407 1 0 EGAFRO C[NH2+]CCC[C@@H]1Cc2ccccc2N(c2ccccc2F)S1(=O)=O ZINC000049113081 132431187 /nfs/dbraw/zinc/43/11/87/132431187.db2.gz SPHAUOPMTCENAZ-OAHLLOKOSA-N 1 0 348.443 3.218 1 0 EGAFRO CCCC[NH+]1CCC(COC(=O)c2cccc3c2OCCO3)CC1 ZINC000013732254 560220306 /nfs/dbraw/zinc/22/03/06/560220306.db2.gz YGXXLNHVBNARBP-UHFFFAOYSA-N 1 0 333.428 3.127 1 0 in-vitro EGAFRO C[NH+]1CCN(c2ccc3[nH]c(-c4ccc(O)cc4Cl)nc3c2)CC1 ZINC000587053806 1298053857 /nfs/dbraw/zinc/05/38/57/1298053857.db2.gz IRDGWFNQXUYSGB-UHFFFAOYSA-N 1 0 342.830 3.341 1 0 EGAFRO Cc1c(C(=O)O[C@@H](C)C(C)(C)C)c[nH]c1C(=O)O[C@@H](C)C[NH+](C)C ZINC000026189850 202140479 /nfs/dbraw/zinc/14/04/79/202140479.db2.gz UCHBPQLCXWYHTN-AAEUAGOBSA-N 1 0 338.448 3.021 1 0 EGAFRO COC(=O)[C@H]1[C@H]2CC[C@@H](C[C@@H]1c1ccc(C(F)(F)F)cc1)[N@@H+]2C ZINC000026727587 202147989 /nfs/dbraw/zinc/14/79/89/202147989.db2.gz YDHBZQLWPITXGF-GBJTYRQASA-N 1 0 327.346 3.445 1 0 EGAFRO CC(=O)N[C@H](C)[C@@H](c1cccs1)[NH+]1CCN(c2ccccc2)CC1 ZINC000033362986 202259879 /nfs/dbraw/zinc/25/98/79/202259879.db2.gz WTFAUNAWIYLDCO-BEFAXECRSA-N 1 0 343.496 3.136 3 0 EGAFRO C=C(c1cc(C)cc(C)c1OC[C@H](O)C[NH2+]C(C)(C)C)n1ccnc1 ZINC000033886638 202270172 /nfs/dbraw/zinc/27/01/72/202270172.db2.gz SOHQLNWCVGOCAY-QGZVFWFLSA-N 1 0 343.471 3.147 1 0 EGAFRO O=C(Cc1ccccc1)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1Cc1ccccc1 ZINC000036286112 202320170 /nfs/dbraw/zinc/32/01/70/202320170.db2.gz QXRXXIKAVZAGHZ-SFTDATJTSA-N 1 0 334.463 3.147 1 0 EGAFRO COc1cc2c(cc1OC)[C@H]1C[C@@H](O)[C@H](CC3CCC3)C[N@@H+]1CC2 ZINC000071340246 203093990 /nfs/dbraw/zinc/09/39/90/203093990.db2.gz NIPYWOLSVPPTKN-KBAYOESNSA-N 1 0 331.456 3.174 1 0 EGAFRO CCCCCCN1c2nccc[n+]2C[C@@]1(O)c1ccc(Cl)cc1 ZINC000072112273 203162568 /nfs/dbraw/zinc/16/25/68/203162568.db2.gz BXLCENIQJMZITE-GOSISDBHSA-N 1 0 332.855 3.268 1 0 EGAFRO CCc1nn(-c2ccccc2)c2cc(N3C[C@H]4C[NH2+]C[C@@H]4C3)ccc12 ZINC000072142438 203168739 /nfs/dbraw/zinc/16/87/39/203168739.db2.gz JRGJWNYNELQBIY-HZPDHXFCSA-N 1 0 332.451 3.244 1 0 EGAFRO COC(=O)[C@@H]1[C@@H]2CC[C@H](C[C@@H]1c1ccc(F)cc1)[N@@H+]2C/C=C/C[18F] ZINC000102162291 204034008 /nfs/dbraw/zinc/03/40/08/204034008.db2.gz SGCXLJVGGMOGGK-BXTGHSNDSA-N 1 0 334.397 3.461 1 0 EGAFRO CCCn1c(C)nc2c1nc(C)nc2NCCCC[NH+](CC)CC ZINC000007991886 210879785 /nfs/dbraw/zinc/87/97/85/210879785.db2.gz ZRHPZUQFNHEVGG-UHFFFAOYSA-N 1 0 332.496 3.387 1 0 EGAFRO CCCN1CCC[C@@]2(CC[N@H+](Cc3cncn3C3CCCC3)C2)C1=O ZINC000091656591 276009715 /nfs/dbraw/zinc/00/97/15/276009715.db2.gz HWOBSRVHTCDSRJ-FQEVSTJZSA-N 1 0 344.503 3.223 1 0 EGAFRO Oc1ccc(CC[NH2+]C[C@H](O)COc2cccc3ccccc32)cc1 ZINC000026723361 1291279330 /nfs/dbraw/zinc/27/93/30/1291279330.db2.gz VTSHCTOPRILGOD-IBGZPJMESA-N 1 0 337.419 3.117 1 0 EGAFRO CC[C@H](C)[C@H]1CNC(=S)N1CC1CC[NH+](CCC(C)C)CC1 ZINC000061924312 214687230 /nfs/dbraw/zinc/68/72/30/214687230.db2.gz IAHHINOQAYHBMG-DOTOQJQBSA-N 1 0 325.566 3.349 3 0 EGAFRO C=C1[NH2+]C(=C)C(C(=O)OCC)C(c2c(C)noc2C)C1C(=O)OCC ZINC000100028119 219089416 /nfs/dbraw/zinc/08/94/16/219089416.db2.gz KNZXTLGWVGHSPA-WUVIJCSQSA-N 1 0 348.399 3.493 1 0 EGAFRO [NH3+]CCCCNc1ncnc2ccc(-c3ccc4c(c3)OCO4)cc21 ZINC000066166139 215019944 /nfs/dbraw/zinc/01/99/44/215019944.db2.gz IPGBGTPBGYIXPO-UHFFFAOYSA-N 1 0 336.395 3.176 1 0 EGAFRO CCOC(=O)Cc1c(C)n(C2CC[NH+](C)CC2)c2ccc(OC)cc12 ZINC000035080034 213006290 /nfs/dbraw/zinc/00/62/90/213006290.db2.gz FIYYTWMTPAOOPO-UHFFFAOYSA-N 1 0 344.455 3.331 1 0 EGAFRO Nc1nc2ccccc2nc1NC(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000073200340 216363464 /nfs/dbraw/zinc/36/34/64/216363464.db2.gz KIPGCRIPMWVFDO-UHFFFAOYSA-N 1 0 347.422 3.060 1 0 EGAFRO C=C1[NH2+]C(=C)C(C(=O)OC)C(c2ccccc2OC)C1C(=O)OC ZINC000019418884 212027422 /nfs/dbraw/zinc/02/74/22/212027422.db2.gz IHGUDPUXHMOQNX-GDGUIRGDSA-N 1 0 331.368 3.116 1 0 EGAFRO C[NH2+][C@@H]1C[C@@H]2c3cc(OC)c(OC)cc3CCN2C[C@@H]1CC(C)C ZINC000169300750 532973233 /nfs/dbraw/zinc/97/32/33/532973233.db2.gz BOFYIYHXHPBGAS-CGTJXYLNSA-N 1 0 332.488 3.257 1 0 EGAFRO Cc1nc2cc(-c3ccc(Cl)cc3)nn2c(NCC[NH+](C)C)c1C ZINC000169303623 526909345 /nfs/dbraw/zinc/90/93/45/526909345.db2.gz HYXCHUSYVQQMBQ-UHFFFAOYSA-N 1 0 343.862 3.482 1 0 EGAFRO CC1(C)NC(=[NH2+])NC(=N)N1c1ccc(SCc2ccccc2)cc1 ZINC000029216002 581092231 /nfs/dbraw/zinc/09/22/31/581092231.db2.gz DUGQTGGEJXSJQG-UHFFFAOYSA-N 1 0 339.468 3.164 1 0 EGAFRO CC[N@@H+]1CCC[C@@H](Oc2ccc3[nH]c(=O)c4c(c3c2)CCSC4)C1 ZINC000049089761 581098285 /nfs/dbraw/zinc/09/82/85/581098285.db2.gz PSMLCFXRXFWWAG-CQSZACIVSA-N 1 0 344.480 3.181 1 0 EGAFRO F[C@@H]1CC[NH2+][C@H]([C@@H]2COC(c3ccccc3)(c3ccccc3)O2)C1 ZINC000049832255 214033566 /nfs/dbraw/zinc/03/35/66/214033566.db2.gz OLGOYYOHTNZCEO-QYZOEREBSA-N 1 0 327.399 3.393 1 0 EGAFRO C[NH+]1CCC(c2ccc(-c3nc4c(cccc4C(N)=O)[nH]3)cc2)CC1 ZINC000049071809 213984351 /nfs/dbraw/zinc/98/43/51/213984351.db2.gz FKYXYTRRMYNSQO-UHFFFAOYSA-N 1 0 334.423 3.138 1 0 EGAFRO CN(CC[NH+]1CCCCC1)C(=O)N1CCC(c2ccccc2)CC1 ZINC000040423008 213301764 /nfs/dbraw/zinc/30/17/64/213301764.db2.gz XOZIOSPHJVIAMM-UHFFFAOYSA-N 1 0 329.488 3.404 1 0 EGAFRO Cc1oc2ccc(N3C[C@]4(C[NH+]5CCC4CC5)OC3=O)cc2c1C ZINC000036079931 213060779 /nfs/dbraw/zinc/06/07/79/213060779.db2.gz CLZGMKCVZCUFQE-IBGZPJMESA-N 1 0 326.396 3.471 1 0 EGAFRO C[NH+]1CCN(C[C@H]2C[C@H]3c4ccccc4Cc4ccccc4N3O2)CC1 ZINC000022924347 212334529 /nfs/dbraw/zinc/33/45/29/212334529.db2.gz BELFTABQPVPWDW-KNQAVFIVSA-N 1 0 349.478 3.090 1 0 EGAFRO Cc1ccc(C[N@@H+]2CCN(Cc3ccccc3)[C@@H](CCO)C2)s1 ZINC000020784205 212171628 /nfs/dbraw/zinc/17/16/28/212171628.db2.gz QCQJDVDQDIESRR-SFHVURJKSA-N 1 0 330.497 3.125 3 0 EGAFRO Clc1ccccc1O[C@H]1CCc2ccc(N3CC[NH2+]CC3)nc21 ZINC000036520309 132392275 /nfs/dbraw/zinc/39/22/75/132392275.db2.gz HUUPVTVQRVHGPI-INIZCTEOSA-N 1 0 329.831 3.211 1 0 EGAFRO O=C(NC[C@@H]1CCC[NH2+]C1)c1ccccc1-c1nc(Cl)cs1 ZINC000049785616 214032963 /nfs/dbraw/zinc/03/29/63/214032963.db2.gz SRPMZYHBGJGRFF-LLVKDONJSA-N 1 0 335.860 3.193 1 0 EGAFRO O=c1cc2c(c(-c3ccccc3)n1Cc1ccccc1)[C@H](CCO)[NH2+]C2 ZINC000061943346 214688961 /nfs/dbraw/zinc/68/89/61/214688961.db2.gz WYCVRNNGIIESOH-IBGZPJMESA-N 1 0 346.430 3.090 3 0 EGAFRO NC(=O)c1cccc(O[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c1 ZINC000101363730 219123704 /nfs/dbraw/zinc/12/37/04/219123704.db2.gz NBLFFMILGMAYPO-RUYXUALKSA-N 1 0 336.435 3.360 1 0 EGAFRO CCC[N@H+]1C[C@@H]2C(CNC(=O)c3cc(Cl)cc(Cl)c3)[C@@H]2C1 ZINC000066128570 215015147 /nfs/dbraw/zinc/01/51/47/215015147.db2.gz AJYQQHRESICHPO-GOOCMWNKSA-N 1 0 327.255 3.311 1 0 EGAFRO CCOP(=O)(OCC)O[C@@H](NCCC[NH+](C)C)c1ccco1 ZINC000043010351 213549833 /nfs/dbraw/zinc/54/98/33/213549833.db2.gz BYKFVNAEZXASQA-CQSZACIVSA-N 1 0 334.353 3.017 1 0 EGAFRO Cc1nn(C)c(=O)cc1-c1ccc(OCCC[N@H+]2CCC[C@H]2C)cc1 ZINC000073296454 216373914 /nfs/dbraw/zinc/37/39/14/216373914.db2.gz FVBMQXFSNPPRRM-OAHLLOKOSA-N 1 0 341.455 3.009 1 0 EGAFRO Cc1cc(C)n2nc(NC(=O)c3ccc([C@@H]4CCC[NH2+]4)s3)cc2n1 ZINC000023192679 212360122 /nfs/dbraw/zinc/36/01/22/212360122.db2.gz DDPDOCIWVKTEHV-LBPRGKRZSA-N 1 0 341.440 3.084 1 0 EGAFRO COc1cc(Cl)cc(CN2CCC[C@@H]([NH+]3CCCC3)C2)c1OC ZINC000022919654 212334495 /nfs/dbraw/zinc/33/44/95/212334495.db2.gz QJHZFYRSNRLJLJ-MRXNPFEDSA-N 1 0 338.879 3.417 1 0 EGAFRO C[NH2+][C@H](C(=O)Nc1cc2cc[nH]c(=O)c2cc1Cl)c1ccccc1 ZINC000049045912 581099407 /nfs/dbraw/zinc/09/94/07/581099407.db2.gz SAGGCAPQVJYEGE-INIZCTEOSA-N 1 0 341.798 3.081 1 0 EGAFRO NC(=O)c1cccc2[nH]c(-c3ccc(C[NH+]4CCCCC4)cc3)nc21 ZINC000026487662 581100554 /nfs/dbraw/zinc/10/05/54/581100554.db2.gz SLVCHAWPLCGGHZ-UHFFFAOYSA-N 1 0 334.423 3.315 1 0 EGAFRO C[NH+]1CCN(c2ccc3[nH]c(-c4cnc(Cl)s4)nc3c2)CC1 ZINC000587022933 1298053434 /nfs/dbraw/zinc/05/34/34/1298053434.db2.gz FUIOAXGDBARMGV-UHFFFAOYSA-N 1 0 333.848 3.092 1 0 EGAFRO CN1CC[NH+](Cc2cccc3c2Cc2c(-c4ccccc4)n[nH]c2-3)CC1 ZINC000040575387 213354193 /nfs/dbraw/zinc/35/41/93/213354193.db2.gz XXYVZLIWJICVRO-UHFFFAOYSA-N 1 0 344.462 3.395 1 0 EGAFRO COc1cc2c(cc1OC)-c1cc3cc4c(cc3c[n+]1CC2)OCO4 ZINC000085644935 290992213 /nfs/dbraw/zinc/99/22/13/290992213.db2.gz PZLLZTCQVUFGHI-UHFFFAOYSA-N 1 0 336.367 3.096 1 0 biogenic,in-vitro EGAFRO Fc1cccc(F)c1O[C@@H](c1cccc2c1OCC2)[C@@H]1C[NH2+]CCO1 ZINC000040421658 213301714 /nfs/dbraw/zinc/30/17/14/213301714.db2.gz WDSNWUWPKXWDIQ-WMZOPIPTSA-N 1 0 347.361 3.008 1 0 EGAFRO CO[C@@H]1Cc2c(cnn2-c2ccccc2)C2(CC[NH+](C(C)C)CC2)O1 ZINC000072118419 216013047 /nfs/dbraw/zinc/01/30/47/216013047.db2.gz QHMIVZGEIZAGED-IBGZPJMESA-N 1 0 341.455 3.117 1 0 EGAFRO CCOC(=O)[C@H]1[C@H]2CC[C@@H](C[C@@H]1c1ccc3c(ccn3CC)c1)[NH2+]2 ZINC000027552739 212562561 /nfs/dbraw/zinc/56/25/61/212562561.db2.gz GISYFXUTONSXNR-DODZYUBVSA-N 1 0 326.440 3.448 1 0 EGAFRO O[C@@H]1CN(C/C=C/c2ccc(F)cc2)CC[C@H]1[NH+]1CCCCCC1 ZINC000020205283 212110602 /nfs/dbraw/zinc/11/06/02/212110602.db2.gz GCQUGTRHEXTMEI-BGEOSOQGSA-N 1 0 332.463 3.150 1 0 EGAFRO COc1ccc(-c2ncc(C[NH2+][C@@H]3COc4ccccc4C3)cn2)cc1 ZINC000019839679 212074384 /nfs/dbraw/zinc/07/43/84/212074384.db2.gz PVKJBOQMGSEGMI-SFHVURJKSA-N 1 0 347.418 3.246 1 0 EGAFRO CCOC1(OCC)[C@H]2c3n(C)cc[n+]3[C@H](c3ccccc32)C1(C)C ZINC000013741376 211628436 /nfs/dbraw/zinc/62/84/36/211628436.db2.gz URLHJWMJKNKUDH-IAGOWNOFSA-N 1 0 327.448 3.156 1 0 EGAFRO COC[C@@H]1CCCC[N@@H+]1Cc1c[nH]nc1-c1ccc(OC)cc1OC ZINC000012299740 211337625 /nfs/dbraw/zinc/33/76/25/211337625.db2.gz MMWZMEJGZJHHPL-HNNXBMFYSA-N 1 0 345.443 3.095 3 0 EGAFRO C[NH2+][C@@H](C(=O)Nc1cc2cc[nH]c(=O)c2cc1Cl)c1ccccc1 ZINC000049045916 581099399 /nfs/dbraw/zinc/09/93/99/581099399.db2.gz SAGGCAPQVJYEGE-MRXNPFEDSA-N 1 0 341.798 3.081 1 0 EGAFRO NC(=O)c1cccc2cn(-c3ccc(C[NH+]4CCCCC4)cc3)nc21 ZINC000049784897 214032072 /nfs/dbraw/zinc/03/20/72/214032072.db2.gz PSBQYDNLNHNFAH-UHFFFAOYSA-N 1 0 334.423 3.110 1 0 EGAFRO [NH3+][C@H]1CC[C@H](Nc2cc(-c3c[nH]c4ncccc34)cc(F)n2)CC1 ZINC000101659289 219152891 /nfs/dbraw/zinc/15/28/91/219152891.db2.gz MIFVWYJSKVADTR-BETUJISGSA-N 1 0 325.391 3.446 1 0 EGAFRO O=S(=O)(c1ccccc1)n1cc([C@H]2CCC[NH2+]C2)c2ccccc21 ZINC000003976223 210095743 /nfs/dbraw/zinc/09/57/43/210095743.db2.gz QUUSSZWUXRDTJG-HNNXBMFYSA-N 1 0 340.448 3.345 1 0 in-vivo EGAFRO Cc1c(S(=O)(=O)c2ccccc2)c2ccccc2n1CC[NH+](C)C ZINC000003927129 210094836 /nfs/dbraw/zinc/09/48/36/210094836.db2.gz RIFXMYBRJYQMTK-UHFFFAOYSA-N 1 0 342.464 3.344 1 0 EGAFRO CC[NH+](CC)CCCN1C(=O)C[C@@]2(CCCc3ccc(C)cc32)C1=O ZINC000003631709 210068997 /nfs/dbraw/zinc/06/89/97/210068997.db2.gz YSAUQLLWMBXIPG-OAQYLSRUSA-N 1 0 342.483 3.060 1 0 EGAFRO CC[NH+](CC)CCC[C@@H](C)Nc1ccnc2ccc3nn(C)nc3c21 ZINC000003593728 210060092 /nfs/dbraw/zinc/06/00/92/210060092.db2.gz JPYUKABGFQEQDL-CQSZACIVSA-N 1 0 340.475 3.439 1 0 EGAFRO CC(C)NC(=O)SCC[C@H](C[NH+](C)C)SC(=O)NC(C)C ZINC000103297112 219286186 /nfs/dbraw/zinc/28/61/86/219286186.db2.gz CDOHXILNNSWYCZ-GFCCVEGCSA-N 1 0 335.539 3.009 1 0 EGAFRO C[NH2+][C@@H]1CC[C@@]23C[C@]4(CCC[C@@H]14)[C@@H]2[C@@H](O)C[C@]1(C)CCC[C@@]3(O)C1 ZINC000085547468 290990479 /nfs/dbraw/zinc/99/04/79/290990479.db2.gz HUVYKMFMLKTLMR-VLCGFYLKSA-N 1 0 333.516 3.237 1 0 biogenic,in-vitro EGAFRO COc1ccc2[nH]c3c(c2c1)CC[NH2+][C@@H]3Cc1ccc2c(c1)OCO2 ZINC000028889406 212642738 /nfs/dbraw/zinc/64/27/38/212642738.db2.gz GSJJDYOIKNLJCL-QGZVFWFLSA-N 1 0 336.391 3.335 1 0 EGAFRO COc1cccc(-c2noc(-c3[nH]c4ccccc4c3CC[NH3+])n2)c1 ZINC000028465241 212619673 /nfs/dbraw/zinc/61/96/73/212619673.db2.gz PYDHYGNJYZFRCO-UHFFFAOYSA-N 1 0 334.379 3.395 1 0 EGAFRO Cn1cc(-c2ccnc(NCc3cccc(C[NH+]4CCCC4)c3)n2)cn1 ZINC000023428960 212376554 /nfs/dbraw/zinc/37/65/54/212376554.db2.gz BYTIWELEAKMDGS-UHFFFAOYSA-N 1 0 348.454 3.085 1 0 EGAFRO COc1cc2c(cc1OC)[C@]13C[C@H](OC)C=CC1=CC[N@@H+]3CCC2 ZINC000015217666 286261393 /nfs/dbraw/zinc/26/13/93/286261393.db2.gz FCYJGRFDMUVIHS-UZLBHIALSA-N 1 0 327.424 3.062 1 0 EGAFRO [NH3+]C[C@H]1CN(Cc2ccccc2)C(=O)C[C@@H]1c1cc(F)ccc1F ZINC000169312410 226240218 /nfs/dbraw/zinc/24/02/18/226240218.db2.gz VLMRHZZWZAZTHW-HOCLYGCPSA-N 1 0 330.378 3.056 1 0 EGAFRO COc1ccc(N2C[C@H](C[NH3+])[C@@H](c3cc(F)ccc3F)CC2=O)cc1 ZINC000169312404 534021014 /nfs/dbraw/zinc/02/10/14/534021014.db2.gz AKRQFSGTFVOMDX-LRDDRELGSA-N 1 0 346.377 3.069 1 0 EGAFRO CCC(=O)N[C@@H](c1ccco1)C1=CC(Cl)[C@H]2CCC[NH2+][C@H]2C1=O ZINC000169313009 528397429 /nfs/dbraw/zinc/39/74/29/528397429.db2.gz FMQNNZFTQVYAJX-UHNFBRDESA-N 1 0 336.819 3.164 1 0 EGAFRO NC(=O)c1cccc2[nH]c(-c3cccc(C[NH+]4CCCCC4)c3)nc21 ZINC000026499319 581100567 /nfs/dbraw/zinc/10/05/67/581100567.db2.gz VDEKDAAHTBTVDG-UHFFFAOYSA-N 1 0 334.423 3.315 1 0 EGAFRO NC(=O)c1cc(F)cc2[nH]c(-c3ccc([C@@H]4CCCC[NH2+]4)cc3)nc21 ZINC000049066642 581100964 /nfs/dbraw/zinc/10/09/64/581100964.db2.gz JYZNVPGMEAGFPG-HNNXBMFYSA-N 1 0 338.386 3.283 1 0 EGAFRO O=C(c1ccco1)N1CCC2(CC1)CC[NH+](Cc1ccncc1)CC2 ZINC000003955878 210096097 /nfs/dbraw/zinc/09/60/97/210096097.db2.gz HXMCUJDBYSHPJF-UHFFFAOYSA-N 1 0 339.439 3.193 1 0 EGAFRO CCOC(=O)c1oc2cccc(OC[C@@H](O)C[NH2+]C(C)(C)C)c2c1C ZINC000003607067 210064978 /nfs/dbraw/zinc/06/49/78/210064978.db2.gz VAKUOBVYGMAXIO-ZDUSSCGKSA-N 1 0 349.427 3.046 1 0 EGAFRO CC(=O)[C@H]1C[C@H](O)[C@H]2[C@@H]3CC=C4C[C@H]([NH3+])CC[C@]4(C)[C@H]3CC[C@]12C ZINC000040393112 213296781 /nfs/dbraw/zinc/29/67/81/213296781.db2.gz RDMMFHMRRFIWLP-DYJFIGRHSA-N 1 0 331.500 3.453 1 0 biogenic,in-vitro EGAFRO COc1ccc(Cn2c3ccccc3nc2[C@H]2C[NH2+]CCS2)cc1 ZINC000073222243 216367266 /nfs/dbraw/zinc/36/72/66/216367266.db2.gz SWDWBOARDFBZAD-GOSISDBHSA-N 1 0 339.464 3.471 1 0 EGAFRO C[NH+](C)CCCn1c2cc(-c3ccccc3)nn2c2ccccc2c1=O ZINC000096933152 218902090 /nfs/dbraw/zinc/90/20/90/218902090.db2.gz IBHDYADRKMNSLZ-UHFFFAOYSA-N 1 0 346.434 3.268 1 0 EGAFRO C[C@@H]1C[C@@H](C)N1C(=O)[C@@H]1C=C2c3cccc4[nH]cc(c43)C[C@@H]2[N@@H+](C)C1 ZINC000027442436 581094754 /nfs/dbraw/zinc/09/47/54/581094754.db2.gz DUKNIHFTDAXJON-XXZHDZSNSA-N 1 0 335.451 3.047 1 0 EGAFRO COc1cc(C)ccc1-c1nc2cc(N3CC[NH+](C)CC3)ccc2[nH]1 ZINC000587926238 1298054466 /nfs/dbraw/zinc/05/44/66/1298054466.db2.gz VOHMTVSNCQRZLF-UHFFFAOYSA-N 1 0 336.439 3.299 1 0 EGAFRO S=C1N=C2C(=Cc3ccccc3)C[NH2+]CC2[C@H](c2ccccc2)N1 ZINC000101679977 219156096 /nfs/dbraw/zinc/15/60/96/219156096.db2.gz MECRQXOKJORTFH-FYXHJSOBSA-N 1 0 333.460 3.146 1 0 EGAFRO COc1cc2c(cc1O)CC[n+]1cc3cc(OC)c(OC)cc3cc1-2 ZINC000003647492 210069975 /nfs/dbraw/zinc/06/99/75/210069975.db2.gz YKOWIGFWFQCIKO-UHFFFAOYSA-O 1 0 338.383 3.082 1 0 biogenic,in-vitro EGAFRO COc1ccc(-c2csc(NC(=O)CC[NH+]3CCCC3)n2)cc1 ZINC000040895474 213398610 /nfs/dbraw/zinc/39/86/10/213398610.db2.gz YRVHWRSOZONPGM-UHFFFAOYSA-N 1 0 331.441 3.243 1 0 EGAFRO CC1(C)C=C(CSc2nc3c(cccc3C(N)=O)[nH]2)CC(C)(C)[NH2+]1 ZINC000036423243 213098173 /nfs/dbraw/zinc/09/81/73/213098173.db2.gz NDYRRDODJUJDMX-UHFFFAOYSA-N 1 0 344.484 3.231 1 0 EGAFRO Cc1ccc2[nH]c3c(c2c1)CCN(C(=O)CC[NH3+])[C@@H]3c1cccc(O)c1 ZINC000036423382 213098197 /nfs/dbraw/zinc/09/81/97/213098197.db2.gz FFVMXSODOAJZHO-OAQYLSRUSA-N 1 0 349.434 3.005 1 0 EGAFRO C[N@@H+]1CC[C@@H](c2cn(S(=O)(=O)c3ccccc3)c3ccccc23)C1 ZINC000072177319 216066390 /nfs/dbraw/zinc/06/63/90/216066390.db2.gz UEMBANHXOBGHAG-OAHLLOKOSA-N 1 0 340.448 3.297 1 0 EGAFRO C=C1[NH2+]C(=C)C(C(=O)OC(C)C)[C@H](c2cccnc2)C1C(=O)OC ZINC000023486221 212379533 /nfs/dbraw/zinc/37/95/33/212379533.db2.gz XULKENMDHGOIGW-WECAROLCSA-N 1 0 330.384 3.281 1 0 EGAFRO C[C@@H]1C[N@@H+](CCCn2c3ccccc3c3cc(N)ccc32)C[C@H](C)N1 ZINC000022930240 212335821 /nfs/dbraw/zinc/33/58/21/212335821.db2.gz DAVHXSIZTCBGJE-IYBDPMFKSA-N 1 0 336.483 3.449 1 0 EGAFRO C[NH2+]C1CN([C@H]2c3ccccc3CSc3ccc(OC)cc32)C1 ZINC000022861932 212329580 /nfs/dbraw/zinc/32/95/80/212329580.db2.gz QGHSMRZUZSSFGC-IBGZPJMESA-N 1 0 326.465 3.294 1 0 EGAFRO O=C(NCC1CC[NH2+]CC1)c1ccncc1-c1cccc(Cl)c1 ZINC000049112119 213987988 /nfs/dbraw/zinc/98/79/88/213987988.db2.gz MINMSEZPEBMBHT-UHFFFAOYSA-N 1 0 329.831 3.131 1 0 EGAFRO CNC(=O)c1cc2cc([C@@]3(Cc4ccccc4)CC[NH2+]C3)ccc2[nH]1 ZINC000040827849 213391243 /nfs/dbraw/zinc/39/12/43/213391243.db2.gz WQZFFUKLKSSLDH-OAQYLSRUSA-N 1 0 333.435 3.001 1 0 EGAFRO Cc1nc2cc(N3C[C@@]4(C[NH+]5CCC4CC5)OC3=O)ccc2s1 ZINC000038238425 213206393 /nfs/dbraw/zinc/20/63/93/213206393.db2.gz KWLUVIHGUFALJG-QGZVFWFLSA-N 1 0 329.425 3.026 1 0 EGAFRO CC(C)[N@H+](C)[C@H]1CCN(Cc2nccs2)[C@@H]1Cc1ccncc1 ZINC000299841917 257656106 /nfs/dbraw/zinc/65/61/06/257656106.db2.gz BNPOYUOHJCOZFA-DLBZAZTESA-N 1 0 330.501 3.064 1 0 EGAFRO CN1C2=N[C@H]3C=CC=C[C@H]3C2=C(N2CCC[N@H+](C)CC2)c2ccccc21 ZINC000098083504 219081089 /nfs/dbraw/zinc/08/10/89/219081089.db2.gz MJLWWTBAXVQCHQ-AEFFLSMTSA-N 1 0 346.478 3.008 1 0 EGAFRO C=C1[NH2+]C(=C)C(C(=O)OC)C(c2ccc(N(C)C)cc2)C1C(=O)OC ZINC000101932886 219174389 /nfs/dbraw/zinc/17/43/89/219174389.db2.gz JNJVTUXXUPAJIR-XMGGNUPJSA-N 1 0 344.411 3.174 1 0 EGAFRO CCNC(=O)Oc1ccc2c(c1)[C@@]13CCCC[C@@H]1[C@@H](C2)[N@@H+](C)CC3 ZINC000036221668 213077927 /nfs/dbraw/zinc/07/79/27/213077927.db2.gz ZNJDUQHDGFWNKK-YVWKXTFCSA-N 1 0 328.456 3.483 1 0 in-vivo EGAFRO CCCCOc1cccc(-c2ccc(NC(=O)[C@@](C)([NH3+])CO)cc2)c1 ZINC000035876223 213051918 /nfs/dbraw/zinc/05/19/18/213051918.db2.gz USQQOFUGQWONID-FQEVSTJZSA-N 1 0 342.439 3.181 1 0 EGAFRO CSc1nn(-c2ccccc2)c2cc(N3C[C@H]4C[C@@H]3C[NH2+]4)ccc21 ZINC000072177584 216066236 /nfs/dbraw/zinc/06/62/36/216066236.db2.gz APSCWJDGECPZFG-CZUORRHYSA-N 1 0 336.464 3.298 1 0 EGAFRO CCOc1cccc(-c2nc(CNCC[C@@H]3CCC[N@@H+]3C)co2)c1 ZINC000072185395 216067626 /nfs/dbraw/zinc/06/76/26/216067626.db2.gz UIMZDTCNCIWKOJ-KRWDZBQOSA-N 1 0 329.444 3.314 1 0 EGAFRO Oc1cccc([C@@]23CCC[C@@H]([C@H]2O)[N@@H+](CCc2ccccc2)CC3)c1 ZINC000028710327 212633163 /nfs/dbraw/zinc/63/31/63/212633163.db2.gz YJDWRJHIVSZYJV-BDTNDASRSA-N 1 0 337.463 3.492 1 0 EGAFRO Cc1n[nH]c(=O)cc1-c1ccc(OC2CC[NH+](C3CCC3)CC2)cc1 ZINC000073198483 216361719 /nfs/dbraw/zinc/36/17/19/216361719.db2.gz SWBBNWYFIHQGLU-UHFFFAOYSA-N 1 0 339.439 3.141 1 0 EGAFRO C=C1[NH2+]C(=C)C(C(=O)OCC)C(c2cccnc2)C1C(=O)OCC ZINC000019855554 212076799 /nfs/dbraw/zinc/07/67/99/212076799.db2.gz KTKLWCRQTCBZSK-WECAROLCSA-N 1 0 330.384 3.283 1 0 EGAFRO CCNC(=S)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2CCc1ccccc1 ZINC000012481059 211391909 /nfs/dbraw/zinc/39/19/09/211391909.db2.gz OPJUPQQHZMVKBU-AYHJJNSGSA-N 1 0 331.529 3.099 3 0 EGAFRO CC(=O)c1cc2c(s1)Nc1ccccc1C(N1CCN(C)CC1)=[NH+]2 ZINC000101182483 219118649 /nfs/dbraw/zinc/11/86/49/219118649.db2.gz AOEPTQAXMLYCKU-UHFFFAOYSA-N 1 0 340.452 3.333 1 0 EGAFRO CCN(CC)CC(CN(CC)CC)[NH2+]Cc1ccc(Cl)cc1 ZINC000066078338 215006458 /nfs/dbraw/zinc/00/64/58/215006458.db2.gz NPPAEWZPZKOLFR-UHFFFAOYSA-N 1 0 325.928 3.482 1 0 EGAFRO NC(=[NH2+])c1ccc2cc(C(=O)Nc3ccc4c(c3)OCO4)ccc2c1 ZINC000042920640 213542193 /nfs/dbraw/zinc/54/21/93/213542193.db2.gz SUBZXLQGZLOALR-UHFFFAOYSA-N 1 0 333.347 3.105 1 0 EGAFRO Cn1c([C@@H](O)c2ccc(Cl)cc2)cnc1SCCC[NH+](C)C ZINC000040413290 213299724 /nfs/dbraw/zinc/29/97/24/213299724.db2.gz RLMPFTWBCJRGCF-HNNXBMFYSA-N 1 0 339.892 3.199 1 0 EGAFRO CCc1nn(-c2ccccc2)c2cc(N3C[C@@H]4C[NH2+]C[C@H]4C3)ccc12 ZINC000072142440 216027502 /nfs/dbraw/zinc/02/75/02/216027502.db2.gz JRGJWNYNELQBIY-HOTGVXAUSA-N 1 0 332.451 3.244 1 0 EGAFRO CN1CCC[N@H+](CCn2ccc3c2cccc3Br)CC1 ZINC000022940003 212338104 /nfs/dbraw/zinc/33/81/04/212338104.db2.gz IFAWMTHIXOPXLI-UHFFFAOYSA-N 1 0 336.277 3.041 1 0 EGAFRO CCn1cc[n+](C[C@H]2CC(c3ccccc3)(c3ccccc3)C(=O)O2)c1 ZINC000013651145 211600466 /nfs/dbraw/zinc/60/04/66/211600466.db2.gz ICVGIQZQXVZXOO-HXUWFJFHSA-N 1 0 347.438 3.097 1 0 EGAFRO C[C@@H]1Cc2cc(Cl)cc(C(=O)NC3C[C@H]4CC[C@@H](C3)[N@H+]4C)c2O1 ZINC000013650235 211598944 /nfs/dbraw/zinc/59/89/44/211598944.db2.gz GYNKWJSTMFIZFD-SLYWTYHBSA-N 1 0 334.847 3.018 1 0 EGAFRO CN1CCN2c3ccc(Cl)cc3C(c3ccccc3)=[NH+]C[C@@H]2C1 ZINC000036080401 132390641 /nfs/dbraw/zinc/39/06/41/132390641.db2.gz KYQCNBBQKYANTG-MRXNPFEDSA-N 1 0 325.843 3.311 1 0 EGAFRO Cc1ccc([C@H]2NC(=[NH2+])N[C@@H](c3ccc4c(c3)CCCC4)C2=O)cc1 ZINC000049785373 214032597 /nfs/dbraw/zinc/03/25/97/214032597.db2.gz VKMOFFSGTILXGI-MOPGFXCFSA-N 1 0 333.435 3.353 1 0 EGAFRO O=S(=O)(c1cn([C@H]2CC[NH2+]C2)c2ccccc12)c1ccccc1 ZINC000003937723 210094566 /nfs/dbraw/zinc/09/45/66/210094566.db2.gz RLICEYAZXFQQMC-AWEZNQCLSA-N 1 0 326.421 3.009 1 0 in-vivo EGAFRO OCC[NH2+][C@@H](c1ccc(Cl)cc1)c1ccc(-c2cn[nH]c2)cc1 ZINC000103265799 219278628 /nfs/dbraw/zinc/27/86/28/219278628.db2.gz AKEJRIXSVRURDM-GOSISDBHSA-N 1 0 327.815 3.401 1 0 EGAFRO CC[NH+](CC)CC(=O)N[C@@H]1CC(C)(C)Oc2c(C)c(C)c(O)c(C)c21 ZINC000038463063 213209339 /nfs/dbraw/zinc/20/93/39/213209339.db2.gz ISSAWACGRIFXMR-OAHLLOKOSA-N 1 0 348.487 3.378 1 0 EGAFRO COc1ccc2c3c1O[C@H]1c4[nH]c(C)cc4C[C@H]4[C@@H](C2)[N@@H+](C)CC[C@]314 ZINC000034950440 213002195 /nfs/dbraw/zinc/00/21/95/213002195.db2.gz AZFVBLNULSJPKC-YQMDMEMYSA-N 1 0 336.435 3.136 1 0 EGAFRO Cc1cc2oc(=O)c3c(c2cc1C)CCN(C[C@@H](C)[NH+]1CCCC1)C3 ZINC000027742463 212575517 /nfs/dbraw/zinc/57/55/17/212575517.db2.gz MUOQKHVINIDDRH-MRXNPFEDSA-N 1 0 340.467 3.252 1 0 EGAFRO CC(C)Oc1ccc(CN2CCC[C@@H]([NH+]3CCCC3)C2)cc1CO ZINC000020166996 212108676 /nfs/dbraw/zinc/10/86/76/212108676.db2.gz GBIHCQUMMRTGLP-LJQANCHMSA-N 1 0 332.488 3.026 1 0 EGAFRO C[N@H+](CCC(=O)Nc1cc2ccccc2oc1=O)Cc1ccccc1 ZINC000095595029 1292945458 /nfs/dbraw/zinc/94/54/58/1292945458.db2.gz JOAQPVWZBNGDJT-UHFFFAOYSA-N 1 0 336.391 3.254 1 0 EGAFRO CCCCNc1c(NCCC[NH+](CCCC)CCCC)c(=O)c1=O ZINC000103244118 219274799 /nfs/dbraw/zinc/27/47/99/219274799.db2.gz XDRUGQNDJGBODQ-UHFFFAOYSA-N 1 0 337.508 3.199 1 0 EGAFRO Cc1c2ccccc2[nH]c1CN(C)c1cc([C@@H]2CCC[NH2+]C2)ncn1 ZINC000039518292 213239690 /nfs/dbraw/zinc/23/96/90/213239690.db2.gz QCIJVJBCXOSHCJ-OAHLLOKOSA-N 1 0 335.455 3.370 1 0 EGAFRO CC(C)c1cccc(Oc2ccc(NC(=O)[C@@](C)([NH3+])CO)cc2)c1 ZINC000035839624 213050601 /nfs/dbraw/zinc/05/06/01/213050601.db2.gz RILVMBSAAFTKKA-IBGZPJMESA-N 1 0 328.412 3.251 1 0 EGAFRO C[N@H+](CCC(=O)NC1CCCCC1)[C@@H]1Cc2c[nH]c3cccc(c23)C1 ZINC000026579748 212527893 /nfs/dbraw/zinc/52/78/93/212527893.db2.gz SZHXZCVHCVDRBX-SFHVURJKSA-N 1 0 339.483 3.406 1 0 EGAFRO CC[NH+]1CCN([C@H]2Cn3cccc3Sc3ccc(F)cc32)CC1 ZINC000022925248 212336100 /nfs/dbraw/zinc/33/61/00/212336100.db2.gz HXNZZHNYAXGYCA-INIZCTEOSA-N 1 0 331.460 3.471 1 0 EGAFRO CCc1ccc(C[NH2+]C[C@H]2C[C@@H](CO)N(C)[C@H]2c2ccccc2F)o1 ZINC000019225790 212007270 /nfs/dbraw/zinc/00/72/70/212007270.db2.gz KYRGHOIRLUYJLS-QEEYODRMSA-N 1 0 346.446 3.125 1 0 EGAFRO C/C=C1\[C@H]2[N@H+]3CC[C@]24c2cccc(OC)c2N(C(C)=O)[C@@H]4C[C@H]1CC3 ZINC000085488166 560075810 /nfs/dbraw/zinc/07/58/10/560075810.db2.gz CCNTUVFHVFQEJI-JULLEKLJSA-N 1 0 338.451 3.112 1 0 biogenic,in-vitro EGAFRO O=C(O[C@@H]1C[NH+]2CCC1CC2)[C@](O)(c1ccccc1)C1CCCCC1 ZINC000003627967 210069412 /nfs/dbraw/zinc/06/94/12/210069412.db2.gz SWZDDEVSNRTITP-CTNGQTDRSA-N 1 0 343.467 3.092 1 0 EGAFRO O=C(O[C@H]1C[NH+]2CCC1CC2)[C@](O)(c1ccccc1)C1CCCCC1 ZINC000003627965 210069426 /nfs/dbraw/zinc/06/94/26/210069426.db2.gz SWZDDEVSNRTITP-FPOVZHCZSA-N 1 0 343.467 3.092 1 0 EGAFRO CN(C)C(=O)c1cc2cc([C@]3(Cc4ccccc4)CC[NH2+]C3)ccc2[nH]1 ZINC000040866668 213394130 /nfs/dbraw/zinc/39/41/30/213394130.db2.gz XBZYPUYXVGRGJR-QFIPXVFZSA-N 1 0 347.462 3.344 1 0 EGAFRO CCN1CC[NH2+][C@H](c2ccc(O)cc2F)[C@@H]1c1ccc(O)cc1F ZINC000040685868 213369027 /nfs/dbraw/zinc/36/90/27/213369027.db2.gz JWZKKSWYLXQLOT-MSOLQXFVSA-N 1 0 334.366 3.084 1 0 EGAFRO CC(C)NC(=O)c1cccc2[nH]c(C3=CC(C)(C)[NH2+]C3(C)C)nc21 ZINC000040407354 213299953 /nfs/dbraw/zinc/29/99/53/213299953.db2.gz WBTKCVPWOXYIRK-UHFFFAOYSA-N 1 0 326.444 3.245 1 0 EGAFRO CCCC[N@@H+]1CCCN(c2nc3ccccc3n2CCOCC)CC1 ZINC000038142538 213201946 /nfs/dbraw/zinc/20/19/46/213201946.db2.gz KVGVEPAVXJHHOX-UHFFFAOYSA-N 1 0 344.503 3.385 1 0 EGAFRO COc1ccc2c(c1)C(=O)c1c-2c(NCC[NH+](C)C)nc2ccccc12 ZINC000033848651 212966261 /nfs/dbraw/zinc/96/62/61/212966261.db2.gz MYWIUUPHQNZRLA-UHFFFAOYSA-N 1 0 347.418 3.428 1 0 EGAFRO COC(=O)[C@H]1[C@H]2CC[C@@H](C[C@@H]1c1ccc(-c3nccs3)cc1)[NH2+]2 ZINC000028565685 212624921 /nfs/dbraw/zinc/62/49/21/212624921.db2.gz PWFSHJVBULYKOS-ZJIFWQFVSA-N 1 0 328.437 3.207 1 0 EGAFRO CC[NH+](CC)CCN[C@@H]1c2cccnc2COc2ccc(F)cc21 ZINC000026836428 212537109 /nfs/dbraw/zinc/53/71/09/212537109.db2.gz LBMGACNHKZLCLV-LJQANCHMSA-N 1 0 329.419 3.134 1 0 EGAFRO O=c1[nH]c(CCC[NH+]2CCN(c3ccccc3)CC2)nc2ccccc21 ZINC000013581563 581100917 /nfs/dbraw/zinc/10/09/17/581100917.db2.gz VOUINADYKXZIQJ-UHFFFAOYSA-N 1 0 348.450 3.090 1 0 EGAFRO COCCNc1nc(-c2ccccc2C[NH+](C)C)nc2ccccc21 ZINC000004267744 210155892 /nfs/dbraw/zinc/15/58/92/210155892.db2.gz ZBPXPJFIQHROPR-UHFFFAOYSA-N 1 0 336.439 3.417 1 0 EGAFRO O=C(Oc1ccc(Br)cc1)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC000066124305 215013897 /nfs/dbraw/zinc/01/38/97/215013897.db2.gz NEQLCLMTLRLIDI-ZDUSSCGKSA-N 1 0 339.233 3.118 1 0 EGAFRO [NH3+]C[C@@H]1CCCc2cc(S(=O)(=O)c3c[nH]c4ccccc43)ccc21 ZINC000043130645 213562777 /nfs/dbraw/zinc/56/27/77/213562777.db2.gz PAQUVAIORCYZFB-AWEZNQCLSA-N 1 0 340.448 3.379 1 0 EGAFRO CN1CC[NH+](C[C@@H](c2ccc(Cl)cc2)C2(O)CCCCC2)CC1 ZINC000040860996 213395200 /nfs/dbraw/zinc/39/52/00/213395200.db2.gz QTRTUWQVBHBFRC-SFHVURJKSA-N 1 0 336.907 3.366 1 0 in-vitro EGAFRO O=C1CSC2(CC[NH+](Cc3ccccc3)CC2)N1c1ccccn1 ZINC000040422987 213301113 /nfs/dbraw/zinc/30/11/13/213301113.db2.gz MWLKYUBXVDOPGN-UHFFFAOYSA-N 1 0 339.464 3.154 1 0 EGAFRO CCCCC[NH+]1CCN(c2nc3ccccc3n2CCOCC)CC1 ZINC000038142567 213203039 /nfs/dbraw/zinc/20/30/39/213203039.db2.gz DGHUDWCSQDHCNN-UHFFFAOYSA-N 1 0 344.503 3.385 1 0 EGAFRO COCCCN(Cc1ccc(F)cc1C(F)(F)F)C1CC[NH2+]CC1 ZINC000036093148 213061256 /nfs/dbraw/zinc/06/12/56/213061256.db2.gz XZDYMDWKOACPPP-UHFFFAOYSA-N 1 0 348.384 3.435 1 0 EGAFRO Fc1ccc([C@@H]2[NH2+]CCO[C@]23COC[C@H](c2ccccc2)C3)cc1 ZINC000026567109 212524929 /nfs/dbraw/zinc/52/49/29/212524929.db2.gz QRJPLDUCXKIQHR-YZGWKJHDSA-N 1 0 327.399 3.430 1 0 EGAFRO Cn1c2c(ccc(Cl)c2Cl)c2c1C(=O)NC(C)(C)[C@@H]2C[NH3+] ZINC000073198814 216362543 /nfs/dbraw/zinc/36/25/43/216362543.db2.gz SYNZAUSUEYTBPO-MRVPVSSYSA-N 1 0 326.227 3.049 1 0 EGAFRO Fc1cc(F)cc(COC[C@@H](c2ccccc2)N2CC[NH2+]CC2)c1 ZINC000022926765 212335886 /nfs/dbraw/zinc/33/58/86/212335886.db2.gz DXBWGWOQIAHGKG-IBGZPJMESA-N 1 0 332.394 3.128 1 0 EGAFRO CC[NH+]1CCN(c2nc3c(c4ccccc42)[C@H](O)c2ccccc2-3)CC1 ZINC000066078868 132811383 /nfs/dbraw/zinc/81/13/83/132811383.db2.gz DLUCHERCNKEHKI-OAQYLSRUSA-N 1 0 345.446 3.439 1 0 EGAFRO C[NH+](C)CCn1c2ccccc2nc1CN1c2ccccc2CCC1=O ZINC000028824457 535933267 /nfs/dbraw/zinc/93/32/67/535933267.db2.gz NGVBVGZQNZCQFJ-UHFFFAOYSA-N 1 0 348.450 3.077 1 0 EGAFRO CN1CC[NH+](C[C@H](c2ccc(Cl)cc2)C2(O)CCCCC2)CC1 ZINC000040860998 213394216 /nfs/dbraw/zinc/39/42/16/213394216.db2.gz QTRTUWQVBHBFRC-GOSISDBHSA-N 1 0 336.907 3.366 1 0 in-vitro EGAFRO Oc1cccc([C@]23CCC[C@H]([C@@H]2O)[N@@H+](CCc2ccccc2)CC3)c1 ZINC000028710328 212633125 /nfs/dbraw/zinc/63/31/25/212633125.db2.gz YJDWRJHIVSZYJV-BHIFYINESA-N 1 0 337.463 3.492 1 0 EGAFRO [NH3+]CCN1CCc2c3cc(Cl)ccc3[nH]c2[C@@H]1c1cccc(O)c1 ZINC000049823329 214034421 /nfs/dbraw/zinc/03/44/21/214034421.db2.gz WXUOLBYGWGIMFN-IBGZPJMESA-N 1 0 341.842 3.433 1 0 EGAFRO C[C@H](C[NH+]1CCCC1)N(C)C(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000013860889 211652874 /nfs/dbraw/zinc/65/28/74/211652874.db2.gz PVMSKQXZQUCBAL-GFCCVEGCSA-N 1 0 329.271 3.479 1 0 EGAFRO C[NH2+][C@@H]1C[C@H]2c3cc(OC)c(OC)cc3CCN2C[C@@H]1CC(C)C ZINC000169300754 532973352 /nfs/dbraw/zinc/97/33/52/532973352.db2.gz BOFYIYHXHPBGAS-JQHSSLGASA-N 1 0 332.488 3.257 1 0 EGAFRO CCC(=O)N[C@@H](c1ccco1)C1=CC(Cl)[C@H]2CCC[NH2+][C@@H]2C1=O ZINC000169313012 528397595 /nfs/dbraw/zinc/39/75/95/528397595.db2.gz FMQNNZFTQVYAJX-GTTSAUCSSA-N 1 0 336.819 3.164 1 0 EGAFRO C[NH+]1CCN(c2ccc3[nH]c(-c4ncccc4Cl)nc3c2)CC1 ZINC000587065467 1298053528 /nfs/dbraw/zinc/05/35/28/1298053528.db2.gz RDNOSWGHSWHTET-UHFFFAOYSA-N 1 0 327.819 3.030 1 0 EGAFRO C[NH+](C)CCn1cc(S(=O)(=O)c2ccccc2)c2ccccc21 ZINC000003927125 210093731 /nfs/dbraw/zinc/09/37/31/210093731.db2.gz JRCURRGCAIWUMY-UHFFFAOYSA-N 1 0 328.437 3.036 1 0 EGAFRO Cc1cccc(C)c1OC[C@@H](C)NC(=O)[C@H]1CC(C)(C)[NH2+]C1(C)C ZINC000040641000 213362707 /nfs/dbraw/zinc/36/27/07/213362707.db2.gz ZWPHHWBUGVSXIF-HZPDHXFCSA-N 1 0 332.488 3.354 1 0 EGAFRO C[NH+](C)CCNC(=O)c1cccc2ccc(-c3ccc(F)cc3)nc21 ZINC000001613462 209766248 /nfs/dbraw/zinc/76/62/48/209766248.db2.gz DQOMCJPIXGGCGO-UHFFFAOYSA-N 1 0 337.398 3.332 1 0 EGAFRO O[C@@]1(c2ccc(Cl)cc2)C[n+]2cccnc2N1C1CCCCC1 ZINC000072107108 216009648 /nfs/dbraw/zinc/00/96/48/216009648.db2.gz GCPLMJGCRICWJK-GOSISDBHSA-N 1 0 330.839 3.021 1 0 EGAFRO CCOC1(OCC)[C@@H]2c3n(C)cc[n+]3[C@@H](c3ccccc32)C1(C)C ZINC000029487989 212670473 /nfs/dbraw/zinc/67/04/73/212670473.db2.gz URLHJWMJKNKUDH-IRXDYDNUSA-N 1 0 327.448 3.156 1 0 EGAFRO Fc1ccc(N(CCCN2CC[NH2+]CC2)c2ccc(F)cc2)cc1 ZINC000022930220 212336712 /nfs/dbraw/zinc/33/67/12/212336712.db2.gz LRJWNYKCDTWXAG-UHFFFAOYSA-N 1 0 331.410 3.398 1 0 EGAFRO CCNC(=O)c1ccc(C2=CC3(CC[NH2+]CC3)Oc3ccccc32)cc1 ZINC000043022983 213552627 /nfs/dbraw/zinc/55/26/27/213552627.db2.gz FXFKPMGUMYHNAD-UHFFFAOYSA-N 1 0 348.446 3.383 1 0 EGAFRO COc1ccc(CC[NH2+]CC[C@H]2CNc3ccccc3O2)cc1OC ZINC000013780745 211637401 /nfs/dbraw/zinc/63/74/01/211637401.db2.gz GBXQUOVRCAWZPD-INIZCTEOSA-N 1 0 342.439 3.099 1 0 EGAFRO [NH3+][C@@H]1CCCC[C@@H]1Nc1nc(Cl)cc(-c2c[nH]c3ncccc23)n1 ZINC000063539737 214761342 /nfs/dbraw/zinc/76/13/42/214761342.db2.gz DQPYZHUAILXFJI-OLZOCXBDSA-N 1 0 342.834 3.355 1 0 EGAFRO [NH3+][C@H]1CC[C@H](Nc2cc(NCc3ccccc3)n3nccc3n2)CC1 ZINC000101556719 219136517 /nfs/dbraw/zinc/13/65/17/219136517.db2.gz QWQBUHHFXHTFDX-IYBDPMFKSA-N 1 0 336.443 3.023 1 0 EGAFRO O=C(CC[NH+]1CCC(Cc2c[nH]cn2)CC1)Nc1ccc(Cl)cc1 ZINC000003919872 210094014 /nfs/dbraw/zinc/09/40/14/210094014.db2.gz PXZWAKNYGHYHEV-UHFFFAOYSA-N 1 0 346.862 3.346 1 0 EGAFRO CN(C[C@H]1CCc2[nH+]c(N)nc(N)c2C1)c1cccc2ccccc21 ZINC000003814884 210076976 /nfs/dbraw/zinc/07/69/76/210076976.db2.gz GUIFHQSZBXGPLV-ZDUSSCGKSA-N 1 0 333.439 3.036 1 0 EGAFRO O=C1OC2(CCN(c3nc4cc(F)ccc4[nH]3)CC2)c2ccccc21 ZINC000040430338 213302834 /nfs/dbraw/zinc/30/28/34/213302834.db2.gz QNXVMYVJXUTGAH-UHFFFAOYSA-N 1 0 337.354 3.368 1 0 EGAFRO CN(Cc1nc2ccccc2n1CCC[NH3+])[C@@H]1CCCc2cccnc21 ZINC000035979384 213053049 /nfs/dbraw/zinc/05/30/49/213053049.db2.gz UPBCAKKETXMWBJ-LJQANCHMSA-N 1 0 349.482 3.290 1 0 EGAFRO C[C@H](CN1CCc2c3ccccc3oc(=O)c2C1)[NH+]1CCCCC1 ZINC000027741990 212575152 /nfs/dbraw/zinc/57/51/52/212575152.db2.gz CMWRBKMNZCDGIQ-OAHLLOKOSA-N 1 0 326.440 3.026 1 0 EGAFRO C[N@@H+]1CCC[C@@H]1CCn1ccc(-c2cccc(-c3cncnc3)c2)n1 ZINC000020209088 212111858 /nfs/dbraw/zinc/11/18/58/212111858.db2.gz CDWAAYNSJBCGGJ-LJQANCHMSA-N 1 0 333.439 3.491 1 0 EGAFRO Cn1cc(-c2noc([C@H]3C[NH+]4CCC3CC4)n2)c2cc(F)ccc21 ZINC000013860837 211652452 /nfs/dbraw/zinc/65/24/52/211652452.db2.gz XFSSFBAUMQZWMO-AWEZNQCLSA-N 1 0 326.375 3.177 1 0 EGAFRO O=C1NCCN1CC[NH+]1CCC(c2c[nH]c3ccc(Cl)cc32)CC1 ZINC000012356109 211354023 /nfs/dbraw/zinc/35/40/23/211354023.db2.gz UFIWZMXMDVOAMC-UHFFFAOYSA-N 1 0 346.862 3.026 1 0 EGAFRO 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COC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1c1ccc(-c3nccs3)cc1)[NH2+]2 ZINC000028565683 212624980 /nfs/dbraw/zinc/62/49/80/212624980.db2.gz PWFSHJVBULYKOS-JJXSEGSLSA-N 1 0 328.437 3.207 1 0 EGAFRO COc1ccc2cc(-c3n[nH]cc3C[N@@H+]3CCC[C@H]3CO)ccc2c1 ZINC000012433443 211379384 /nfs/dbraw/zinc/37/93/84/211379384.db2.gz BEUKSSIUCDJAPK-SFHVURJKSA-N 1 0 337.423 3.195 1 0 EGAFRO Clc1ccc(N2CC[NH+](CCc3ccc4c(c3)OCO4)CC2)cc1 ZINC000095564699 218437707 /nfs/dbraw/zinc/43/77/07/218437707.db2.gz VQXJKAVRUIMGRB-UHFFFAOYSA-N 1 0 344.842 3.433 1 0 EGAFRO C[NH2+]CCC[C@@H]1Cc2cc(F)ccc2N(c2ccccc2)S1(=O)=O ZINC000049072943 132430294 /nfs/dbraw/zinc/43/02/94/132430294.db2.gz JVDABEHLVBLHMY-QGZVFWFLSA-N 1 0 348.443 3.218 1 0 EGAFRO Cc1ccc(NC(=O)c2cc(-c3ccc(NC(N)=[NH2+])cc3)on2)cc1 ZINC000169327287 226544734 /nfs/dbraw/zinc/54/47/34/226544734.db2.gz UQCSTLUPFBZXDA-UHFFFAOYSA-N 1 0 335.367 3.208 1 0 EGAFRO CNC(=O)[C@H]([NH2+]Cc1ccc(OCc2ccccc2)cc1)C(C)C ZINC000027655856 453819794 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C=C(c1c(C)ccc(Cl)c1OC[C@@H](O)C[NH2+]C(C)C)n1ccnc1 ZINC000040466747 213310837 /nfs/dbraw/zinc/31/08/37/213310837.db2.gz ZYGGYFVFHITDCU-HNNXBMFYSA-N 1 0 349.862 3.102 1 0 EGAFRO C[C@H]1C[N@@H+]2CCN(Cc3ccoc3)C[C@H]2C[C@@]1(C)c1cccc(O)c1 ZINC000035075231 213007256 /nfs/dbraw/zinc/00/72/56/213007256.db2.gz XNSUKSAFEUEKIG-LDQXTDLNSA-N 1 0 340.467 3.469 1 0 EGAFRO [NH3+][C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1Cc2ccccc2C1 ZINC000072105413 216009682 /nfs/dbraw/zinc/00/96/82/216009682.db2.gz JFWNERIMAUEHNN-MRXNPFEDSA-N 1 0 335.234 3.406 1 0 in-vitro EGAFRO Cc1nc2ccccc2n1-c1ccc(C(=O)N(C)[C@@H]2CC[N@H+](C)C2)cc1 ZINC000072122727 216015442 /nfs/dbraw/zinc/01/54/42/216015442.db2.gz AWDJVAMSSJIVCL-GOSISDBHSA-N 1 0 348.450 3.110 1 0 EGAFRO Cc1csc(-c2[nH]c(CCC[NH3+])nc2-c2ccc3c(c2)OCO3)n1 ZINC000073312227 216376606 /nfs/dbraw/zinc/37/66/06/216376606.db2.gz NQXVTQJZWXAUJV-UHFFFAOYSA-N 1 0 342.424 3.129 1 0 EGAFRO CC(C)[N@@H+]1CCN(Cc2ccc3cc(Cl)ccc3n2)C[C@@H]1CCO ZINC000023372966 212372826 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O[C@@]1(c2ccc(Cl)cc2)CC[N@H+](Cc2c[nH]c3ncccc23)C1 ZINC000040861982 213395076 /nfs/dbraw/zinc/39/50/76/213395076.db2.gz BUOWMBFFJAPTLV-SFHVURJKSA-N 1 0 327.815 3.310 1 0 EGAFRO C[NH+]1CCC(=C2c3ccccc3C(CO)=C(CO)c3ccccc32)CC1 ZINC000039215293 213231655 /nfs/dbraw/zinc/23/16/55/213231655.db2.gz UKIOLIPHRMCZMI-UHFFFAOYSA-N 1 0 347.458 3.423 1 0 EGAFRO CN1CC[NH+](Cc2ccc(-c3[nH]nc4c3Cc3ccccc3-4)cc2)CC1 ZINC000036338888 213085256 /nfs/dbraw/zinc/08/52/56/213085256.db2.gz HZLFQVDCKKRZST-UHFFFAOYSA-N 1 0 344.462 3.395 1 0 EGAFRO CC(C)(C)[NH2+]C[C@H](O)COc1cccc2c1[C@@H]1CCCCC[C@]21O ZINC000027887536 212583732 /nfs/dbraw/zinc/58/37/32/212583732.db2.gz WXQKLUMSPOGXCW-AUSJPIAWSA-N 1 0 333.472 3.063 1 0 EGAFRO C[C@@H](c1ccc(-c2ccc(F)cc2)cc1)[C@H]([NH3+])C(=O)N1CC[C@H](F)C1 ZINC000014209594 211712886 /nfs/dbraw/zinc/71/28/86/211712886.db2.gz BFIKQYQPKFNDJQ-AGRHKRQWSA-N 1 0 344.405 3.494 1 0 EGAFRO CCCN(CCC)C(=O)/C(=C\[C@@H]1CCC[NH2+]1)c1ccc(OC)cc1 ZINC000013530035 211571420 /nfs/dbraw/zinc/57/14/20/211571420.db2.gz GSGJEFRVMPMJPF-STZPCZCHSA-N 1 0 330.472 3.479 1 0 EGAFRO O=c1[nH]c2ccccc2cc1C[N@@H+](Cc1ccccn1)C[C@@H]1CCCO1 ZINC000067675023 280387634 /nfs/dbraw/zinc/38/76/34/280387634.db2.gz DUEAVMOELRRONS-IBGZPJMESA-N 1 0 349.434 3.104 1 0 EGAFRO Oc1cccc(CC[N@H+]2CCCC[C@H]2[C@H](O)c2cccc(O)c2)c1 ZINC000085486961 560076085 /nfs/dbraw/zinc/07/60/85/560076085.db2.gz OYNUALIDVIGIGO-VQTJNVASSA-N 1 0 327.424 3.228 1 0 biogenic,in-vitro EGAFRO [NH3+][C@@H](CCC(=O)Nc1ccc(Oc2ccccc2)cc1)c1nnc[nH]1 ZINC000040935925 581098981 /nfs/dbraw/zinc/09/89/81/581098981.db2.gz UXGPUPRVWVJSBT-INIZCTEOSA-N 1 0 337.383 3.016 1 0 EGAFRO C[NH+]1CCN(c2ccc3[nH]c(-c4ccc(Cl)nc4F)nc3c2)CC1 ZINC000587178013 1298053986 /nfs/dbraw/zinc/05/39/86/1298053986.db2.gz LTHKXYGZIYDLQN-UHFFFAOYSA-N 1 0 345.809 3.169 1 0 EGAFRO O=c1cc2c(c(-c3ccccc3)n1Cc1ccccc1)[C@@H](CCO)[NH2+]C2 ZINC000061943352 214689176 /nfs/dbraw/zinc/68/91/76/214689176.db2.gz WYCVRNNGIIESOH-LJQANCHMSA-N 1 0 346.430 3.090 3 0 EGAFRO OC1([C@H](CN2CC[NH2+]CC2)c2ccsc2Cl)CCCCC1 ZINC000049087546 213984822 /nfs/dbraw/zinc/98/48/22/213984822.db2.gz TVEJRNDJZBJGNP-CQSZACIVSA-N 1 0 328.909 3.086 1 0 EGAFRO O=C(C1CCC1)N(Cc1ccccc1C(F)(F)F)[C@H]1CC[NH2+]C1 ZINC000043066752 213556389 /nfs/dbraw/zinc/55/63/89/213556389.db2.gz DTBBOFHJHSCSAN-AWEZNQCLSA-N 1 0 326.362 3.196 1 0 EGAFRO Cn1c2ccccc2[n+](C)c1CC(=O)c1ccc(Br)cc1 ZINC000003176778 209973883 /nfs/dbraw/zinc/97/38/83/209973883.db2.gz LQIFUBUACSXPIR-UHFFFAOYSA-N 1 0 344.232 3.191 3 0 EGAFRO Clc1ccc(Cl)c(-c2ccnc(N3C[C@@H]4CC[NH2+][C@@H]4C3)n2)c1 ZINC000040763267 213385034 /nfs/dbraw/zinc/38/50/34/213385034.db2.gz YCYWLCIZCILZPB-ZUZCIYMTSA-N 1 0 335.238 3.249 1 0 EGAFRO COC(=O)c1ccc(C2=CC3(CC[NH2+]CC3)Oc3ccccc32)cc1 ZINC000040429452 213302581 /nfs/dbraw/zinc/30/25/81/213302581.db2.gz PZYPBUIOQZWSRY-UHFFFAOYSA-N 1 0 335.403 3.420 1 0 EGAFRO CC(C)[NH2+]C[C@H](O)c1scc(Br)c1Br ZINC000033827108 212964468 /nfs/dbraw/zinc/96/44/68/212964468.db2.gz PHIFQRWQYCEZBF-ZETCQYMHSA-N 1 0 343.084 3.305 1 0 EGAFRO CNc1ccccc1C(=O)NCCC[NH2+]C12CC3CC(CC(C3)C1)C2 ZINC000072117037 216012447 /nfs/dbraw/zinc/01/24/47/216012447.db2.gz NPRBPSHIHHSRCE-UHFFFAOYSA-N 1 0 341.499 3.407 1 0 EGAFRO Oc1cccc(F)c1-n1nc(OC2CC[NH2+]CC2)c2ccccc21 ZINC000072124848 216016713 /nfs/dbraw/zinc/01/67/13/216016713.db2.gz IUTQZHKFJYKMRH-UHFFFAOYSA-N 1 0 327.359 3.001 1 0 EGAFRO CCOC(=O)c1oc2ccccc2c1NC(=O)CC[NH+]1CCCCC1 ZINC000000054919 209393599 /nfs/dbraw/zinc/39/35/99/209393599.db2.gz KXOYHEIUIVDIPQ-UHFFFAOYSA-N 1 0 344.411 3.424 1 0 EGAFRO COc1ccccc1CC(=O)N(C)[C@@H]1CCCC[C@@H]1[NH+]1CCCC1 ZINC000026833603 212537052 /nfs/dbraw/zinc/53/70/52/212537052.db2.gz XXUIHHCQRMCYSJ-MSOLQXFVSA-N 1 0 330.472 3.103 1 0 EGAFRO C[NH+]1CCN(C[C@@H]2C[C@H]3c4ccccc4Cc4ccccc4N3O2)CC1 ZINC000022924342 212335145 /nfs/dbraw/zinc/33/51/45/212335145.db2.gz BELFTABQPVPWDW-UGKGYDQZSA-N 1 0 349.478 3.090 1 0 EGAFRO CC[C@@H]1[C@H]2[C@H]3Cc4ccc(OC)cc4[C@@]2(CC[N@@H+]3C)CC(=O)[C@H]1C ZINC000040670170 213366992 /nfs/dbraw/zinc/36/69/92/213366992.db2.gz SOIRLXJJWMWZKS-MMEHTYGQSA-N 1 0 327.468 3.445 1 0 EGAFRO F[C@@H]1CC[NH2+][C@@H]([C@@H]2COC(c3ccccc3)(c3ccccc3)O2)C1 ZINC000049832259 214034747 /nfs/dbraw/zinc/03/47/47/214034747.db2.gz OLGOYYOHTNZCEO-QRVBRYPASA-N 1 0 327.399 3.393 1 0 EGAFRO C[NH+](C)CCCN1c2ccccc2Sc2ccc(C(N)=O)cc21 ZINC000029338163 535833761 /nfs/dbraw/zinc/83/37/61/535833761.db2.gz XDGRRGICKANPTB-UHFFFAOYSA-N 1 0 327.453 3.340 1 0 EGAFRO COc1ccc(CC(C)(C)[NH2+]C[C@H](O)COc2ccccc2)cc1 ZINC000034560282 1291390679 /nfs/dbraw/zinc/39/06/79/1291390679.db2.gz CVLQHWXSSKFZAF-KRWDZBQOSA-N 1 0 329.440 3.046 1 0 EGAFRO [NH3+]CCCCCCC/N=c1/c2ccc(Cl)cc2nc2n1CCC2 ZINC000040875433 213396401 /nfs/dbraw/zinc/39/64/01/213396401.db2.gz OLOJLUJCUZFPLE-UZYVYHOESA-N 1 0 332.879 3.446 1 0 EGAFRO CC[NH2+]Cc1cncc(-c2ccc3[nH]nc(-c4ncc[nH]4)c3c2)c1C ZINC000072177826 216066505 /nfs/dbraw/zinc/06/65/05/216066505.db2.gz PSLNWDZYCFEKFB-UHFFFAOYSA-N 1 0 332.411 3.433 1 0 EGAFRO Oc1ccc(-c2nc(CN3CCC([NH+]4CCCC4)CC3)co2)cc1 ZINC000072185680 216066894 /nfs/dbraw/zinc/06/68/94/216066894.db2.gz SBWWFGYUXUVVKD-UHFFFAOYSA-N 1 0 327.428 3.107 1 0 EGAFRO CC[C@@H]1NC(=O)OC12CC[NH+](CCc1c[nH]c3ccccc13)CC2 ZINC000028761082 212634930 /nfs/dbraw/zinc/63/49/30/212634930.db2.gz KEQCSOQVBUYFKL-KRWDZBQOSA-N 1 0 327.428 3.063 1 0 EGAFRO C[NH+]1CCN(C[C@H]2C[C@@H]3c4ccccc4Cc4ccccc4N3O2)CC1 ZINC000022924356 212334466 /nfs/dbraw/zinc/33/44/66/212334466.db2.gz BELFTABQPVPWDW-DENIHFKCSA-N 1 0 349.478 3.090 1 0 EGAFRO COc1cc(CC[NH+]2CCCCC2)c(OC)cc1Br ZINC000013737379 211626933 /nfs/dbraw/zinc/62/69/33/211626933.db2.gz HCAIUSZHAJZMDI-UHFFFAOYSA-N 1 0 328.250 3.495 1 0 EGAFRO Cn1ccnc1CN1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1F)C2 ZINC000011664003 211231810 /nfs/dbraw/zinc/23/18/10/211231810.db2.gz WDTIWHLWNIQDTC-HXUWFJFHSA-N 1 0 342.462 3.047 1 0 EGAFRO C[C@@H](OC[C@H](O)C[N@@H+]1CCCC[C@@H]1CCO)c1ccc(Cl)cc1 ZINC000006940181 258052663 /nfs/dbraw/zinc/05/26/63/258052663.db2.gz RRQYSZVQNSEVRF-ZTFGCOKTSA-N 1 0 341.879 3.015 1 0 EGAFRO