smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name N#Cc1ccc(C(=O)N2CCCSC[C@H]2C[NH+]2CCCC2)cc1 ZINC000085473207 283124010 /nfs/dbraw/zinc/12/40/10/283124010.db2.gz NWXRVFCSNGCMGT-QGZVFWFLSA-N 1 0 329.469 2.602 40 30 EFEBRO CCNC(NCc1cc(OC)c(OC)cc1Br)=[NH+]CC ZINC000076105861 202387816 /nfs/dbraw/zinc/38/78/16/202387816.db2.gz GSLXBRKMCIJHRG-UHFFFAOYSA-N 1 0 344.253 2.541 40 30 EFEBRO Cc1ccc(C[NH+](C)C)cc1NS(=O)(=O)c1cccc(C#N)c1 ZINC000154045342 201394108 /nfs/dbraw/zinc/39/41/08/201394108.db2.gz DBUMJCRRBANWTF-UHFFFAOYSA-N 1 0 329.425 2.729 40 30 EFEBRO C[NH+]=C(NCc1nc(C)cs1)NCC1(c2ccc(OC)cc2)CC1 ZINC000097229913 219000684 /nfs/dbraw/zinc/00/06/84/219000684.db2.gz RHZNSHMXFBKGIP-UHFFFAOYSA-N 1 0 344.484 2.857 40 30 EFEBRO O/N=C1\CCC=CCC[C@H]1[NH+]1CCN(c2ccc3c(c2)OCO3)CC1 ZINC000018127374 135713248 /nfs/dbraw/zinc/71/32/48/135713248.db2.gz JTABKOZBAZMABZ-DZNVGIAESA-N 1 0 343.427 2.866 40 30 EFEBRO COc1ccc2nc3n(c2c1)[C@@H](C[NH2+]Cc1ccc(C#N)cc1)COC3 ZINC000096112623 274143771 /nfs/dbraw/zinc/14/37/71/274143771.db2.gz DVTYKYWNDVMKQO-INIZCTEOSA-N 1 0 348.406 2.778 40 30 biogenic,in-vitro EFEBRO N#Cc1cccc(N[C@H]2CO[C@@]3(CC[N@H+](Cc4cccs4)C3)C2)n1 ZINC000096047654 473268645 /nfs/dbraw/zinc/26/86/45/473268645.db2.gz GZTTUWWIPOZCAS-QAPCUYQASA-N 1 0 340.452 2.860 40 30 EFEBRO N#Cc1cccc(N[C@H]2CO[C@@]3(C2)CCC[N@H+](Cc2cccnc2)C3)n1 ZINC000096048316 473271115 /nfs/dbraw/zinc/27/11/15/473271115.db2.gz WXLMDHRJKZPTAJ-UYAOXDASSA-N 1 0 349.438 2.584 40 30 EFEBRO N#Cc1cccc(N[C@H]2CO[C@]3(C2)CCC[N@H+](Cc2ccoc2)C3)n1 ZINC000096048306 473271191 /nfs/dbraw/zinc/27/11/91/473271191.db2.gz MLLXNQVDFDOQNK-MJGOQNOKSA-N 1 0 338.411 2.782 40 30 EFEBRO N#Cc1cccc(N[C@@H]2CO[C@]3(C2)CCC[N@H+](Cc2ccncc2)C3)n1 ZINC000096048323 473271460 /nfs/dbraw/zinc/27/14/60/473271460.db2.gz ZNLYYYAVMFWZJG-ICSRJNTNSA-N 1 0 349.438 2.584 40 30 EFEBRO N#Cc1ccc(OC[C@@H]2Cn3cncc3C[N@@H+](C3CCCC3)C2)nc1 ZINC000096209360 473344941 /nfs/dbraw/zinc/34/49/41/473344941.db2.gz LEIQTJAFURXSNG-INIZCTEOSA-N 1 0 337.427 2.603 40 30 EFEBRO C=CCOc1cc(OC)ccc1C(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000125216376 473376444 /nfs/dbraw/zinc/37/64/44/473376444.db2.gz OJMPMIKSHIFUPQ-UHFFFAOYSA-N 1 0 344.455 2.960 40 30 EFEBRO C[NH+]=C(NCc1ccccn1)NCc1ccccc1OC(F)(F)F ZINC000096404102 473379994 /nfs/dbraw/zinc/37/99/94/473379994.db2.gz RBBGEAZDJCLKIM-UHFFFAOYSA-N 1 0 338.333 2.845 40 30 EFEBRO C[NH+]=C(NCCCn1cc(C)cn1)N[C@@H](C)c1ccccc1OC ZINC000096406093 473382616 /nfs/dbraw/zinc/38/26/16/473382616.db2.gz UXDLGJZDHZIWTC-HNNXBMFYSA-N 1 0 329.448 2.516 40 30 EFEBRO CCCC#C[C@@](O)(C(=O)O[C@H]1C[NH+]2CCC1CC2)C1CCCCC1 ZINC000001640764 471394476 /nfs/dbraw/zinc/39/44/76/471394476.db2.gz CZSCWCOOWBSDAG-ICSRJNTNSA-N 1 0 333.472 2.739 40 30 EFEBRO C=C1CC[C@]2(O)[C@@H]3Cc4ccc(O)c5c4[C@]2(CC[N@H+]3CC2CC2)[C@@H]1O5 ZINC000003831178 471455436 /nfs/dbraw/zinc/45/54/36/471455436.db2.gz WJBLNOPPDWQMCH-ZXNZYJFHSA-N 1 0 339.435 2.513 40 30 in-vitro EFEBRO CCCc1c2c3ccccc3[nH]c2c2c([n+]1N)CC(C)(C)C/C2=N\N ZINC000004899275 471479188 /nfs/dbraw/zinc/47/91/88/471479188.db2.gz AFNYUDBVDUTVPA-ZVHZXABRSA-O 1 0 336.463 2.910 40 30 EFEBRO CCC(=O)OCOc1ccc(/C=C2/CC[C@H](C[NH+](C)C)C2=O)cc1 ZINC000016957533 471952074 /nfs/dbraw/zinc/95/20/74/471952074.db2.gz SMDDTKYJMPEYDY-UVQBRAAOSA-N 1 0 331.412 2.900 40 30 EFEBRO COc1ccc(NC(=[NH2+])Nc2nc(-c3ccccc3)cc(=O)[nH]2)cc1 ZINC000017070592 471955295 /nfs/dbraw/zinc/95/52/95/471955295.db2.gz VEQITZYLPYNKDL-UHFFFAOYSA-N 1 0 335.367 2.504 40 30 EFEBRO C=CCNC(=O)[C@@]1(Cc2cc(-c3ccc(C)cc3)no2)CCC[NH2+]1 ZINC000019696495 471983364 /nfs/dbraw/zinc/98/33/64/471983364.db2.gz CQYIOMKCHTYTOI-IBGZPJMESA-N 1 0 325.412 2.617 40 30 EFEBRO N#CCNC(=O)C[NH2+][C@@H](c1cccs1)c1ccc2c(c1)CCC2 ZINC000097227359 472484237 /nfs/dbraw/zinc/48/42/37/472484237.db2.gz GHHFRRAHCUJBDK-GOSISDBHSA-N 1 0 325.437 2.556 40 30 EFEBRO C[NH+](C)CCN(Cc1cccnc1)C(=O)/C=C/c1cccc(C#N)c1 ZINC000079050178 472811066 /nfs/dbraw/zinc/81/10/66/472811066.db2.gz PIXKJUVCCSXBOL-CMDGGOBGSA-N 1 0 334.423 2.557 40 30 EFEBRO C[C@H]1CCC[C@](C#N)(NC(=O)c2cnn(CC[NH+]3CCCCC3)c2)C1 ZINC000073767048 472871026 /nfs/dbraw/zinc/87/10/26/472871026.db2.gz QFWXUUGWCMYZQL-LPHOPBHVSA-N 1 0 343.475 2.571 40 30 EFEBRO C#CC[NH+]1CCC(C(=O)Nc2nc3ccc(OCC)cc3s2)CC1 ZINC000050026491 472973300 /nfs/dbraw/zinc/97/33/00/472973300.db2.gz GJTZLMSSWGVKIW-UHFFFAOYSA-N 1 0 343.452 2.979 40 30 EFEBRO C=C(C)C[NH+]1CCC(NC(=O)N2CCS[C@H](C(C)C)C2)CC1 ZINC000096439936 473419242 /nfs/dbraw/zinc/41/92/42/473419242.db2.gz KPUNBQRYJHHESZ-INIZCTEOSA-N 1 0 325.522 2.810 40 30 EFEBRO C[NH+]=C(NCCC1=CCOCC1)N[C@H]1C[C@@H](C)N(c2ccccc2)C1 ZINC000096484220 473443552 /nfs/dbraw/zinc/44/35/52/473443552.db2.gz KNSNUABLUXWLPB-AEFFLSMTSA-N 1 0 342.487 2.556 40 30 EFEBRO CC[NH+]=C(NCc1ccn(-c2ccccc2)n1)NCc1ncccc1C ZINC000096484809 473443764 /nfs/dbraw/zinc/44/37/64/473443764.db2.gz JDKGVLITVHZCCN-UHFFFAOYSA-N 1 0 348.454 2.831 40 30 EFEBRO Cc1ccc(C#N)c(NCc2ccccc2C[N@@H+]2CCC[C@@H]2CO)n1 ZINC000225514052 474220520 /nfs/dbraw/zinc/22/05/20/474220520.db2.gz LEXRCHKJHYSDGV-LJQANCHMSA-N 1 0 336.439 2.831 40 30 EFEBRO Cc1nc2c([nH]1)C[C@H](C(=O)N1CCC(C#N)(c3ccccc3)CC1)CC2 ZINC000225521368 474221131 /nfs/dbraw/zinc/22/11/31/474221131.db2.gz QRFFXPKQLNOAFH-MRXNPFEDSA-N 1 0 348.450 2.907 40 30 EFEBRO C=CCOC(=O)c1cc(-n2cccc2)ccc1N1CC[NH+](CC)CC1 ZINC000226278265 474240573 /nfs/dbraw/zinc/24/05/73/474240573.db2.gz IVPHPUKFLJLIQA-UHFFFAOYSA-N 1 0 339.439 2.962 40 30 EFEBRO CCN1CC[NH+](C[C@@H](C)CNc2c(C#N)cnc3ccccc32)CC1 ZINC000189442301 474398016 /nfs/dbraw/zinc/39/80/16/474398016.db2.gz VQMLCSVQLMNHQX-INIZCTEOSA-N 1 0 337.471 2.792 40 30 EFEBRO C=CCc1cc(CN2C[C@H](CC)O[C@]3(CCOC3)C2)cc(OC)c1O ZINC000240423785 474548875 /nfs/dbraw/zinc/54/88/75/474548875.db2.gz FQVBHLDZHJNYMA-FXAWDEMLSA-N 1 0 347.455 2.899 40 30 EFEBRO N#Cc1ccc(NCC2CC[NH+](C[C@@H](O)c3ccccc3)CC2)cn1 ZINC000253431502 474756231 /nfs/dbraw/zinc/75/62/31/474756231.db2.gz HIILDYWKLULPDG-HXUWFJFHSA-N 1 0 336.439 2.811 40 30 EFEBRO CN(C)C(=[NH2+])NC[C@H]1CCC[N@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000253432638 474758194 /nfs/dbraw/zinc/75/81/94/474758194.db2.gz MBIMAFRXHDOSRN-UKRRQHHQSA-N 1 0 342.409 2.965 40 30 EFEBRO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CCC2(CCOCC2)[C@@H]1C ZINC000375242872 476735396 /nfs/dbraw/zinc/73/53/96/476735396.db2.gz RJSHBEOWVAFLGM-CVEARBPZSA-N 1 0 333.476 2.609 40 30 EFEBRO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CCC2(CCOCC2)[C@H]1C ZINC000375242874 476736076 /nfs/dbraw/zinc/73/60/76/476736076.db2.gz RJSHBEOWVAFLGM-HZPDHXFCSA-N 1 0 333.476 2.609 40 30 EFEBRO C#CC[NH+]1CCC(C(=O)OCc2cnc(-c3cccs3)o2)CC1 ZINC000096425265 518269242 /nfs/dbraw/zinc/26/92/42/518269242.db2.gz OUMVOOSAFLSRNE-UHFFFAOYSA-N 1 0 330.409 2.792 40 30 EFEBRO CC[N+]1(CC(=O)c2ccccc2)CCO[C@](O)(c2ccccc2)C1 ZINC000001668053 209778356 /nfs/dbraw/zinc/77/83/56/209778356.db2.gz SHIQEJHMCRIJHH-BGERDNNASA-N 1 0 326.416 2.582 40 30 EFEBRO N#Cc1ccnc(N2CCC[C@H]([NH2+]Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000096472302 283222546 /nfs/dbraw/zinc/22/25/46/283222546.db2.gz COWVQIYLNWXBFF-INIZCTEOSA-N 1 0 337.383 2.620 40 30 EFEBRO C#CCOc1ccc(CN2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)cc1OCC ZINC000072324600 216151518 /nfs/dbraw/zinc/15/15/18/216151518.db2.gz WJPAOBOBAWJFKI-WMZOPIPTSA-N 1 0 328.456 2.766 40 30 EFEBRO C=CC[C@]1(C(=O)OC)C(=O)C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(F)cc1 ZINC000072340214 216158405 /nfs/dbraw/zinc/15/84/05/216158405.db2.gz GMCXELCFTKXPRM-JTDSTZFVSA-N 1 0 331.387 2.867 40 30 EFEBRO N#CCCn1cc(C[NH2+]CCc2nnc3ccccn32)c2ccccc21 ZINC000022024974 212271408 /nfs/dbraw/zinc/27/14/08/212271408.db2.gz ZRICCDGDEQYRBG-UHFFFAOYSA-N 1 0 344.422 2.930 40 30 EFEBRO C[C@H](NC(=O)N1CCC[C@H]2C[N@H+](C)CC[C@H]21)c1ccc(C#N)cc1 ZINC000230192262 242248531 /nfs/dbraw/zinc/24/85/31/242248531.db2.gz VVHBBJCFOCYYGN-JCGIZDLHSA-N 1 0 326.444 2.745 40 30 EFEBRO N#Cc1ccc(C[NH2+]C2CCC(C(=O)N3CCSCC3)CC2)cc1 ZINC000078978653 217162485 /nfs/dbraw/zinc/16/24/85/217162485.db2.gz PPHKDMLMTLNNFW-UHFFFAOYSA-N 1 0 343.496 2.782 40 30 EFEBRO C=CCN(C)C(=O)N[C@H](C)c1cc(F)ccc1N1CC[NH+](CC)CC1 ZINC000119066526 221235158 /nfs/dbraw/zinc/23/51/58/221235158.db2.gz QNTLFBHVRBDAFA-OAHLLOKOSA-N 1 0 348.466 2.856 40 30 EFEBRO CC[NH+](CC)C[C@@H]1Cn2ccnc2CN(Cc2cccc(C#N)c2)C1 ZINC000096066912 276106585 /nfs/dbraw/zinc/10/65/85/276106585.db2.gz NOKHQGFXXSAIMO-IBGZPJMESA-N 1 0 337.471 2.729 40 30 EFEBRO N#Cc1cccc(N[C@@H]2CO[C@]3(C2)CCC[N@H+](Cc2ccccn2)C3)n1 ZINC000096048314 473270628 /nfs/dbraw/zinc/27/06/28/473270628.db2.gz LQDCYOSCNOXXFJ-ICSRJNTNSA-N 1 0 349.438 2.584 40 30 EFEBRO C=CCOC[C@H]1CNC(=O)[C@@H]2CC[N@H+](Cc3ccsc3)CC[C@H]12 ZINC000096065555 473286499 /nfs/dbraw/zinc/28/64/99/473286499.db2.gz SRUZYQNVBDJDRO-BRWVUGGUSA-N 1 0 334.485 2.525 40 30 EFEBRO C=CC[N@H+]1CCC[C@@]12CCCN(S(=O)(=O)c1ccc(F)cc1)C2 ZINC000096214812 473346665 /nfs/dbraw/zinc/34/66/65/473346665.db2.gz LXXUPICUWYCJHT-KRWDZBQOSA-N 1 0 338.448 2.631 40 30 EFEBRO C=CC[N@H+]1CCC[C@]12CCCN(S(=O)(=O)c1ccc(C)cc1)C2 ZINC000096214806 473346801 /nfs/dbraw/zinc/34/68/01/473346801.db2.gz VYXJQAAUXVZXLO-GOSISDBHSA-N 1 0 334.485 2.800 40 30 EFEBRO C=CC[N@H+]1CCC[C@]12CCCN(S(=O)(=O)c1ccccc1F)C2 ZINC000096214816 473346846 /nfs/dbraw/zinc/34/68/46/473346846.db2.gz RTIITZBJLHVBFN-QGZVFWFLSA-N 1 0 338.448 2.631 40 30 EFEBRO C=CC[N@H+]1CCC[C@]12CCCN(S(=O)(=O)c1cccc(C)c1)C2 ZINC000096214809 473347512 /nfs/dbraw/zinc/34/75/12/473347512.db2.gz JNZNABUTOWVPJH-GOSISDBHSA-N 1 0 334.485 2.800 40 30 EFEBRO CNC(=[NH2+])NN=C(c1ccccc1)c1ccc(Br)cc1 ZINC000001572547 471393651 /nfs/dbraw/zinc/39/36/51/471393651.db2.gz SOFUQTGDLLAPQE-XMHGGMMESA-N 1 0 331.217 2.945 40 30 EFEBRO C[NH+]1CCC(OC(=O)[C@@](O)(C#Cc2ccccc2)c2ccccc2)CC1 ZINC000001669057 471394674 /nfs/dbraw/zinc/39/46/74/471394674.db2.gz QPZCIHUWGXRMCU-JOCHJYFZSA-N 1 0 349.430 2.563 40 30 EFEBRO CCCC#C[C@](O)(C(=O)O[C@@H]1C[NH+]2CCC1CC2)C1CCCCC1 ZINC000001640765 471395553 /nfs/dbraw/zinc/39/55/53/471395553.db2.gz CZSCWCOOWBSDAG-UYAOXDASSA-N 1 0 333.472 2.739 40 30 EFEBRO C=C1[C@@H]2CC[C@]3(CC[C@@H]4[C@@]5(C)CCC[C@@]4(C=[N+](CCO)C5)[C@H]3C2)[C@H]1O ZINC000005493562 471508974 /nfs/dbraw/zinc/50/89/74/471508974.db2.gz RXGJFLXLQIECAN-ZBWDDEHUSA-N 1 0 344.519 2.996 40 30 EFEBRO N#Cc1c(N)n[nH]c1CCC[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000008395452 471686884 /nfs/dbraw/zinc/68/68/84/471686884.db2.gz OZMKXNAMLZLLNR-UHFFFAOYSA-N 1 0 348.454 2.790 40 30 EFEBRO C=CCNC(=O)[C@]1(Cc2cc(-c3ccc(C)cc3)no2)CCC[NH2+]1 ZINC000019696494 471983686 /nfs/dbraw/zinc/98/36/86/471983686.db2.gz CQYIOMKCHTYTOI-LJQANCHMSA-N 1 0 325.412 2.617 40 30 EFEBRO COc1ccccc1CN/[NH+]=C/c1ccc(N2CCOCC2)c(F)c1 ZINC000020763624 471992876 /nfs/dbraw/zinc/99/28/76/471992876.db2.gz CWYGGNQILDFXDB-FYJGNVAPSA-N 1 0 343.402 2.795 40 30 EFEBRO C=C1[C@@H](O)[C@]23CC[C@H]1[C@H](O)[C@H]2[C@@]12CCC[C@@]4(C)C[N@@H+](CC)[C@@H]1[C@@H]3C[C@@H]24 ZINC000030726633 472347121 /nfs/dbraw/zinc/34/71/21/472347121.db2.gz OVXLNQAYPUEDSI-ZAWREGRRSA-N 1 0 343.511 2.821 40 30 biogenic,in-vitro EFEBRO C#CC[NH+]1CCC(C(=O)Nc2ccc3c(c2)O[C@](C)(CC)O3)CC1 ZINC000097104346 472448238 /nfs/dbraw/zinc/44/82/38/472448238.db2.gz XDJOFKGRHGZEDK-LJQANCHMSA-N 1 0 328.412 2.868 40 30 EFEBRO CC[NH+]=C(NCc1csc(N(C)C)n1)NCc1sccc1C ZINC000097227626 472483607 /nfs/dbraw/zinc/48/36/07/472483607.db2.gz OJDSHUKDZZDPRF-UHFFFAOYSA-N 1 0 337.518 2.834 40 30 EFEBRO Cc1cn2c(n1)CC[C@@H]([NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1)C2 ZINC000097232516 472485321 /nfs/dbraw/zinc/48/53/21/472485321.db2.gz NKBUEGUAKYYMMP-GOSISDBHSA-N 1 0 346.438 2.568 40 30 EFEBRO C#CC[NH+]1CCC(C(=O)NCCSc2ccc(C)c(C)c2)CC1 ZINC000058167130 472511876 /nfs/dbraw/zinc/51/18/76/472511876.db2.gz DVRMFIDGSPGGGJ-UHFFFAOYSA-N 1 0 330.497 2.857 40 30 EFEBRO Cc1ccc(NS(=O)(=O)c2ccc(C#N)cc2)c(C[NH+](C)C)c1 ZINC000073314483 472796805 /nfs/dbraw/zinc/79/68/05/472796805.db2.gz ITVGAXMOPQYZBV-UHFFFAOYSA-N 1 0 329.425 2.729 40 30 EFEBRO O=C(NCC#CC[NH+]1CCCC1)Nc1ccccc1C(F)(F)F ZINC000075164691 473144096 /nfs/dbraw/zinc/14/40/96/473144096.db2.gz HPGGSBLBEBCGLH-UHFFFAOYSA-N 1 0 325.334 2.926 40 30 EFEBRO C=C(C)C[NH+]1CCC(NC(=O)N2CCC(OCC3CC3)CC2)CC1 ZINC000096439941 473419191 /nfs/dbraw/zinc/41/91/91/473419191.db2.gz JJFRVEKYYFBRGN-UHFFFAOYSA-N 1 0 335.492 2.628 40 30 EFEBRO Cc1ccc(C#N)c(NCc2ccccc2C[N@@H+]2CCC[C@H]2CO)n1 ZINC000225514023 474220966 /nfs/dbraw/zinc/22/09/66/474220966.db2.gz LEXRCHKJHYSDGV-IBGZPJMESA-N 1 0 336.439 2.831 40 30 EFEBRO C[N@@H+]1CC[C@@H](COCC2CC2)CC12CN(Cc1ccccc1C#N)C2 ZINC000248135967 474266630 /nfs/dbraw/zinc/26/66/30/474266630.db2.gz OPJLLTWOMAWALC-GOSISDBHSA-N 1 0 339.483 2.881 40 30 EFEBRO CCN1CC[NH+](C[C@H](C)CNc2nc3c(cc2C#N)CCCC3)CC1 ZINC000189443674 474399665 /nfs/dbraw/zinc/39/96/65/474399665.db2.gz RHAOWUBOHBHWIG-MRXNPFEDSA-N 1 0 341.503 2.518 40 30 EFEBRO C=CCO[C@H]1CC[N@H+](Cc2cccc(C#N)c2)[C@H]1Cc1cnn(C)c1 ZINC000306137245 474811378 /nfs/dbraw/zinc/81/13/78/474811378.db2.gz QQKHJCCOBIZHJV-PMACEKPBSA-N 1 0 336.439 2.680 40 30 EFEBRO C=CC[N@H+]1CCOCC2(CCN(C(=O)c3ccccc3C)CC2)C1 ZINC000585102429 479284827 /nfs/dbraw/zinc/28/48/27/479284827.db2.gz GPMSGILABKKAAY-UHFFFAOYSA-N 1 0 328.456 2.736 40 30 EFEBRO CC(C)(C#N)C(=O)Nc1ccc(NC(=O)C[NH+]2CCCCCC2)cc1 ZINC000055404987 518507278 /nfs/dbraw/zinc/50/72/78/518507278.db2.gz WCMGWGBPXABBMZ-UHFFFAOYSA-N 1 0 342.443 2.989 40 30 EFEBRO C[N+]1(Cc2ccccc2)[C@@H]2CC[C@H]1C(=O)N(Cc1ccccc1)C2=O ZINC000018069239 211979930 /nfs/dbraw/zinc/97/99/30/211979930.db2.gz DMDDSFBWTOPMGN-LIMIJEPZSA-N 1 0 335.427 2.733 40 30 EFEBRO N#Cc1ccc(NC(=O)CC[N@H+]2CCCC[C@@H]2CCO)cc1Cl ZINC000078776817 217120253 /nfs/dbraw/zinc/12/02/53/217120253.db2.gz CFUZMBGCKHLXSK-OAHLLOKOSA-N 1 0 335.835 2.777 40 30 EFEBRO C[C@@H]([NH2+]C1(CNc2nccnc2C#N)CCOCC1)c1ccccc1 ZINC000079097156 217191287 /nfs/dbraw/zinc/19/12/87/217191287.db2.gz JMCLALGUCJFAPF-OAHLLOKOSA-N 1 0 337.427 2.660 40 30 EFEBRO C=CCC(O)(CC=C)[C@@H]1CCC[N@@H+]1Cc1ccnc(N2CCCC2)n1 ZINC000012240914 211328559 /nfs/dbraw/zinc/32/85/59/211328559.db2.gz WBJQAQQKUDHOLV-SFHVURJKSA-N 1 0 342.487 2.925 40 30 EFEBRO CC[C@@H](C#N)S(=O)(=O)N(C)C1CC[NH+](C2CCC(C)CC2)CC1 ZINC000095439657 280066047 /nfs/dbraw/zinc/06/60/47/280066047.db2.gz IAHXRRRDJXIDFS-PREGVCBESA-N 1 0 341.521 2.593 40 30 EFEBRO C=CCN1C(=O)COC2(CC[NH+](Cc3ccc(C)s3)CC2)[C@H]1C ZINC000096201541 473337106 /nfs/dbraw/zinc/33/71/06/473337106.db2.gz FTZIHNOOYPTRST-OAHLLOKOSA-N 1 0 334.485 2.824 40 30 EFEBRO N#Cc1ccc(N2C[C@]3(CC[N@H+](Cc4ccncc4)C3)CC2=O)cc1 ZINC000096238842 473360665 /nfs/dbraw/zinc/36/06/65/473360665.db2.gz LQDOHPDOPCKZQT-HXUWFJFHSA-N 1 0 332.407 2.582 40 30 EFEBRO N#Cc1cccc(C[N@@H+]2CCc3ncnc(NC4CCC4)c3CC2)c1 ZINC000096255757 473366062 /nfs/dbraw/zinc/36/60/62/473366062.db2.gz HUQYOMTWMPCUHG-UHFFFAOYSA-N 1 0 333.439 2.913 40 30 EFEBRO C=CC[NH+]1CCC(NC(=O)c2cc(C)ccc2N2CCCC2)CC1 ZINC000096408446 473386647 /nfs/dbraw/zinc/38/66/47/473386647.db2.gz IAWKIOXEOSWVJI-UHFFFAOYSA-N 1 0 327.472 2.975 40 30 EFEBRO CC(C)C#C[C@](O)(C(=O)O[C@H]1C2CC[NH+](CC2)[C@H]1C)C1CCCCC1 ZINC000005954670 471527111 /nfs/dbraw/zinc/52/71/11/471527111.db2.gz QAPPZPYLSRRINH-LDQXTDLNSA-N 1 0 347.499 2.983 40 30 EFEBRO C=CC[NH2+]Cc1ccc(-c2cc(C(=O)OC)cc(C(=O)OC)c2)o1 ZINC000007540634 471620955 /nfs/dbraw/zinc/62/09/55/471620955.db2.gz IOQWIBWQUKLVOC-UHFFFAOYSA-N 1 0 329.352 2.795 40 30 EFEBRO CCC[C@@H]1[C@H](c2ccccc2)C(C#N)(C#N)[C@]2(C#N)C[C@@]1([NH3+])NC2=O ZINC000036383736 472001600 /nfs/dbraw/zinc/00/16/00/472001600.db2.gz ULEFGRQKGOPQAF-WXSAJPJJSA-N 1 0 333.395 2.759 40 30 EFEBRO CCC(CC)[C@@H]1CCN(C(NCC2CCN(C(C)=O)CC2)=[NH+]C)C1 ZINC000086746252 472291823 /nfs/dbraw/zinc/29/18/23/472291823.db2.gz RRUSOSNEXPCVHJ-GOSISDBHSA-N 1 0 336.524 2.578 40 30 EFEBRO N#CCNC(=O)C[NH2+][C@@H]1CCC[C@H]1c1ccccc1C(F)(F)F ZINC000097103551 472447970 /nfs/dbraw/zinc/44/79/70/472447970.db2.gz PHKOBHIQZSQFCZ-GXTWGEPZSA-N 1 0 325.334 2.571 40 30 EFEBRO N#CCNC(=O)C[NH2+][C@H]1CCC[C@H]1c1ccccc1C(F)(F)F ZINC000097103549 472449094 /nfs/dbraw/zinc/44/90/94/472449094.db2.gz PHKOBHIQZSQFCZ-JSGCOSHPSA-N 1 0 325.334 2.571 40 30 EFEBRO N#CCNC(=O)C[NH2+][C@H](c1cccs1)c1ccc2c(c1)CCC2 ZINC000097227360 472483385 /nfs/dbraw/zinc/48/33/85/472483385.db2.gz GHHFRRAHCUJBDK-SFHVURJKSA-N 1 0 325.437 2.556 40 30 EFEBRO C[C@H]1CCCN(C(=[NH2+])NCc2ccc(COC3CCOCC3)cc2)C1 ZINC000130637212 472619289 /nfs/dbraw/zinc/61/92/89/472619289.db2.gz OQTABCUYWRKOFY-INIZCTEOSA-N 1 0 345.487 2.929 40 30 EFEBRO Cc1ccc(C[N@@H+]2CC[C@@]3(C[C@@H](Nc4cccc(C#N)n4)CO3)C2)o1 ZINC000107728686 472978856 /nfs/dbraw/zinc/97/88/56/472978856.db2.gz LCBLSLAWGHGKLK-VQIMIIECSA-N 1 0 338.411 2.700 40 30 EFEBRO CN(C)C(=O)NC1CC2(C1)CC[NH+](Cc1cccc(C#N)c1)CC2 ZINC000108528176 473035996 /nfs/dbraw/zinc/03/59/96/473035996.db2.gz SKZPUCFXDATQFN-UHFFFAOYSA-N 1 0 326.444 2.574 40 30 EFEBRO N#Cc1cccc(C[N@H+]2CCC3(CC(NC(=O)c4cccnc4)C3)C2)c1 ZINC000108527422 473036277 /nfs/dbraw/zinc/03/62/77/473036277.db2.gz GBONCROSGZZYKO-UHFFFAOYSA-N 1 0 346.434 2.738 40 30 EFEBRO N#Cc1cccc(CNc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)c1 ZINC000096482849 473442318 /nfs/dbraw/zinc/44/23/18/473442318.db2.gz NCHYAEADKXGYMA-IBGZPJMESA-N 1 0 348.450 2.868 40 30 EFEBRO N#Cc1cccc(CNc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)c1 ZINC000096482850 473442563 /nfs/dbraw/zinc/44/25/63/473442563.db2.gz NCHYAEADKXGYMA-LJQANCHMSA-N 1 0 348.450 2.868 40 30 EFEBRO C[NH+]=C(NCCC1=CCOCC1)N[C@H]1C[C@H](C)N(c2ccccc2)C1 ZINC000096484221 473443572 /nfs/dbraw/zinc/44/35/72/473443572.db2.gz KNSNUABLUXWLPB-WMZOPIPTSA-N 1 0 342.487 2.556 40 30 EFEBRO C[C@H]([NH2+][C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1cccc(O)c1 ZINC000194970157 473985852 /nfs/dbraw/zinc/98/58/52/473985852.db2.gz NTFOIENJTKGJIR-IFXJQAMLSA-N 1 0 335.407 2.716 40 30 EFEBRO CN(C)[C@@H](CNC(=[NH2+])N(C)C1CC1)c1cccc(C(F)(F)F)c1 ZINC000183891250 474443401 /nfs/dbraw/zinc/44/34/01/474443401.db2.gz XXSSFUNMJPMGSW-AWEZNQCLSA-N 1 0 328.382 2.717 40 30 EFEBRO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CCC[C@H]1C[C@@H](O)c1ccccc1 ZINC000245338788 474573836 /nfs/dbraw/zinc/57/38/36/474573836.db2.gz ONXQAFOXRPXIEX-NSHGMRRFSA-N 1 0 343.471 2.629 40 30 EFEBRO N#CC1(CCC[NH+]2CCN(Cc3cccs3)CC2)CCOCC1 ZINC000330031878 475187741 /nfs/dbraw/zinc/18/77/41/475187741.db2.gz FIYKHNBFOLDRRC-UHFFFAOYSA-N 1 0 333.501 2.966 40 30 EFEBRO CC(C)N(C)C(=O)C1CC[NH+](CCCC2(C#N)CCOCC2)CC1 ZINC000330031926 475188035 /nfs/dbraw/zinc/18/80/35/475188035.db2.gz GAYFWLDOIHBDRB-UHFFFAOYSA-N 1 0 335.492 2.666 40 30 EFEBRO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CCC2(CCOCC2)[C@H]1C ZINC000375242875 476735568 /nfs/dbraw/zinc/73/55/68/476735568.db2.gz RJSHBEOWVAFLGM-JKSUJKDBSA-N 1 0 333.476 2.609 40 30 EFEBRO COc1cc2c(c(OC)c1OC)CC[N@@H+]([C@@H]1CC[C@@H](C#N)C1)CC2 ZINC000590162726 479612192 /nfs/dbraw/zinc/61/21/92/479612192.db2.gz NAKLOLHJFOJVJN-UKRRQHHQSA-N 1 0 330.428 2.805 40 30 EFEBRO CC[NH+]=C(NCc1noc(C)n1)NCc1ccc(Cl)cc1Cl ZINC000083151462 520204752 /nfs/dbraw/zinc/20/47/52/520204752.db2.gz WFVFBRFCZVDYPM-UHFFFAOYSA-N 1 0 342.230 2.940 40 30 EFEBRO C[NH+](C)C[C@H](NC(=O)NCC1(CC#N)CC1)c1ccc(Cl)cc1 ZINC000252497153 535952278 /nfs/dbraw/zinc/95/22/78/535952278.db2.gz PZZWFBUENYGJQJ-HNNXBMFYSA-N 1 0 334.851 2.936 40 30 EFEBRO Cc1ccc(-c2c[n+](CC(=O)Nc3nccs3)c3n2CCC3)cc1 ZINC000027526081 1099443375 /nfs/dbraw/zinc/44/33/75/1099443375.db2.gz UHFRLBHYAVCJJD-UHFFFAOYSA-O 1 0 339.444 2.792 40 30 EFEBRO N#Cc1ccc(CNC(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000194010657 240399775 /nfs/dbraw/zinc/39/97/75/240399775.db2.gz BAALLNKOZGQEJF-HXUWFJFHSA-N 1 0 348.450 2.880 40 30 EFEBRO C[C@H](CNC(=[NH2+])N(C)C1CC1)Oc1ccccc1Br ZINC000195559344 241010109 /nfs/dbraw/zinc/01/01/09/241010109.db2.gz DJYAZKBZJIZHPY-SNVBAGLBSA-N 1 0 326.238 2.625 40 30 EFEBRO N#Cc1cccc(C(=O)NCC2CC[NH+]([C@@H]3CCSC3)CC2)c1 ZINC000225567485 241931827 /nfs/dbraw/zinc/93/18/27/241931827.db2.gz HIQMOYMSYGRIGP-QGZVFWFLSA-N 1 0 329.469 2.506 40 30 EFEBRO CS(=O)(=O)OCC1C[NH+](C(c2ccccc2)c2ccccc2)C1 ZINC000079058302 217184533 /nfs/dbraw/zinc/18/45/33/217184533.db2.gz JCOQDAJMCQWEAH-UHFFFAOYSA-N 1 0 331.437 2.684 40 30 EFEBRO C=CCN1C(=O)CCC12CCC([NH2+]Cc1cccnc1OC)CC2 ZINC000096228565 218705201 /nfs/dbraw/zinc/70/52/01/218705201.db2.gz QUUHBGOLZLCXCM-UHFFFAOYSA-N 1 0 329.444 2.670 40 30 EFEBRO CC(=O)N1CCc2cc(C(=O)C[n+]3ccc4ccccc4c3)ccc21 ZINC000005000295 210355081 /nfs/dbraw/zinc/35/50/81/210355081.db2.gz HOBSZFLYVLGEHQ-UHFFFAOYSA-N 1 0 331.395 2.919 40 30 EFEBRO CC1c2cccn2CC[N+]1=CC(=O)c1ccc(Br)cc1 ZINC000004866837 210307246 /nfs/dbraw/zinc/30/72/46/210307246.db2.gz WNBQBXVSVGLXMQ-UHFFFAOYSA-N 1 0 332.221 2.969 40 30 EFEBRO N#Cc1cccc(C[NH2+][C@@H]2CCc3nc(N4CCCC4)ncc3C2)c1 ZINC000306124407 270026324 /nfs/dbraw/zinc/02/63/24/270026324.db2.gz BPCWFHUZRSLOTM-GOSISDBHSA-N 1 0 333.439 2.596 40 30 EFEBRO CC[NH+]1CCC2(CC1)C[C@H](NC(=O)C1(C#N)CC1)c1ccccc1O2 ZINC000096093973 276152482 /nfs/dbraw/zinc/15/24/82/276152482.db2.gz YXXCMXZFAQNYRN-INIZCTEOSA-N 1 0 339.439 2.785 40 30 EFEBRO C[C@@H](C[NH+]1CCCCC1)NC(=O)Nc1cn(C)nc1C(F)(F)F ZINC000331312974 278251963 /nfs/dbraw/zinc/25/19/63/278251963.db2.gz BDDYWDQBKFEFMH-JTQLQIEISA-N 1 0 333.358 2.639 40 30 EFEBRO Cc1cc(C(=O)N2C[C@@H]3CCC[N@@H+]3Cc3ccccc32)ncc1C#N ZINC000580627011 324200487 /nfs/dbraw/zinc/20/04/87/324200487.db2.gz YWHKESKJLOZWRF-KRWDZBQOSA-N 1 0 332.407 2.887 40 30 EFEBRO N#Cc1cccc(N[C@@H]2CO[C@@]3(C2)CCC[N@H+](Cc2ccoc2)C3)n1 ZINC000096048305 473272339 /nfs/dbraw/zinc/27/23/39/473272339.db2.gz MLLXNQVDFDOQNK-PKOBYXMFSA-N 1 0 338.411 2.782 40 30 EFEBRO N#Cc1cccc(C[N@H+]2CC[C@H]3[C@H]2CCN3C(=O)c2cscn2)c1 ZINC000096184573 473326353 /nfs/dbraw/zinc/32/63/53/473326353.db2.gz QMPKWTQIVRCZBB-SJORKVTESA-N 1 0 338.436 2.504 40 30 EFEBRO N#Cc1cccc(C[NH+]2CCC3(CC2)NC(=O)C[C@@H]3c2ccncc2)c1 ZINC000096199914 473335498 /nfs/dbraw/zinc/33/54/98/473335498.db2.gz GZWFPQIILBOCGX-LJQANCHMSA-N 1 0 346.434 2.592 40 30 EFEBRO N#Cc1cccc(C[NH+]2CCC3(CC2)NC(=O)C[C@H]3c2ccncc2)c1 ZINC000096199913 473336278 /nfs/dbraw/zinc/33/62/78/473336278.db2.gz GZWFPQIILBOCGX-IBGZPJMESA-N 1 0 346.434 2.592 40 30 EFEBRO C=CC[N@H+]1CCC[C@@]12CCCN(C(=O)Cc1cccc(OC)c1)C2 ZINC000096214750 473347012 /nfs/dbraw/zinc/34/70/12/473347012.db2.gz XZXYMMNTUAKNOO-HXUWFJFHSA-N 1 0 328.456 2.881 40 30 EFEBRO C=CC[N@H+]1CCC[C@]12CCCN(C(=O)Cc1cccc(OC)c1)C2 ZINC000096214749 473347441 /nfs/dbraw/zinc/34/74/41/473347441.db2.gz XZXYMMNTUAKNOO-FQEVSTJZSA-N 1 0 328.456 2.881 40 30 EFEBRO N#Cc1cccc(OC[C@H]2CO[C@@H]3C[N@@H+](C4CCSCC4)C[C@H]23)c1 ZINC000096219222 473351118 /nfs/dbraw/zinc/35/11/18/473351118.db2.gz FZOIQWZNYCAYGE-KFKAGJAMSA-N 1 0 344.480 2.779 40 30 EFEBRO N#Cc1cccc(N[C@@H]2CO[C@]3(C2)CCC[N@H+](Cc2ccco2)C3)n1 ZINC000096223056 473356097 /nfs/dbraw/zinc/35/60/97/473356097.db2.gz ZBVLANSVYBABPF-LPHOPBHVSA-N 1 0 338.411 2.782 40 30 EFEBRO CC[NH+]=C(NCCCSC)NC1CCN(c2cccc(C)n2)CC1 ZINC000085541352 472256551 /nfs/dbraw/zinc/25/65/51/472256551.db2.gz ARMAVAORCXFHSS-UHFFFAOYSA-N 1 0 349.548 2.667 40 30 EFEBRO C[NH+]=C(NCc1ncc(C)s1)NC1CCN(c2ccccc2)CC1 ZINC000086717599 472292100 /nfs/dbraw/zinc/29/21/00/472292100.db2.gz NAQGISGQGXUBEG-UHFFFAOYSA-N 1 0 343.500 2.786 40 30 EFEBRO C[NH+](C)CCN(Cc1ccco1)C(=O)Nc1ccc(F)cc1C#N ZINC000088393246 472361148 /nfs/dbraw/zinc/36/11/48/472361148.db2.gz VHSZOPAUHJFAHY-UHFFFAOYSA-N 1 0 330.363 2.886 40 30 EFEBRO C[NH+]=C(NCCc1ccc2c(c1)CCO2)N[C@@H](C)c1ccc(C)o1 ZINC000088791998 472386418 /nfs/dbraw/zinc/38/64/18/472386418.db2.gz PBHGWERXGDFUFP-AWEZNQCLSA-N 1 0 327.428 2.992 40 30 EFEBRO C#CC[NH+]1CCC(C(=O)Nc2ccc(F)cc2OCC2CC2)CC1 ZINC000076920029 472424793 /nfs/dbraw/zinc/42/47/93/472424793.db2.gz GPUWWHYIOIFCRE-UHFFFAOYSA-N 1 0 330.403 2.898 40 30 EFEBRO CC(C)N(Cc1ccc(C#N)cc1)C(=O)C[N@H+](C)[C@H]1CCSC1 ZINC000089937379 472553177 /nfs/dbraw/zinc/55/31/77/472553177.db2.gz DNLOHQOWSIMNNO-KRWDZBQOSA-N 1 0 331.485 2.733 40 30 EFEBRO C=CCOC[C@@]12CCCO[C@H]1CC[N@@H+](Cc1cccnc1OC)C2 ZINC000107771362 472981190 /nfs/dbraw/zinc/98/11/90/472981190.db2.gz PBGGRZCRGTXFQM-HKUYNNGSSA-N 1 0 332.444 2.664 40 30 EFEBRO c1csc(CC[NH+]=C(NCc2nc(C3CC3)no2)N2CCCC2)c1 ZINC000096443083 473421307 /nfs/dbraw/zinc/42/13/07/473421307.db2.gz ALIOAFWGZJIEOY-UHFFFAOYSA-N 1 0 345.472 2.793 40 30 EFEBRO CC[NH+]=C(NCCc1cnn(C)c1)NC[C@H](C)c1ccc(F)c(F)c1 ZINC000096450231 473427185 /nfs/dbraw/zinc/42/71/85/473427185.db2.gz LJLAVJSFOZWYPA-ZDUSSCGKSA-N 1 0 349.429 2.600 40 30 EFEBRO N#C[C@H](NC(=O)CC1([NH+]2CCOCC2)CCCC1)C1CCCCC1 ZINC000096451401 473427795 /nfs/dbraw/zinc/42/77/95/473427795.db2.gz ZELRLVDMZGZHNV-KRWDZBQOSA-N 1 0 333.476 2.610 40 30 EFEBRO N#Cc1cc(N2CCC(C[NH+]3CCOCC3)CC2)c2ccccc2n1 ZINC000096453514 473429748 /nfs/dbraw/zinc/42/97/48/473429748.db2.gz SDINIXZDNCRCMI-UHFFFAOYSA-N 1 0 336.439 2.655 40 30 EFEBRO C[NH+]=C(NCC1(C(=O)N(C)C)CCCC1)N[C@H](C)c1ccccc1 ZINC000096461880 473433138 /nfs/dbraw/zinc/43/31/38/473433138.db2.gz OXBYXQWQYMJUNT-OAHLLOKOSA-N 1 0 330.476 2.561 40 30 EFEBRO CC(C)[C@](C)([NH2+]CC(=O)NCC#N)c1ccc(Br)cc1 ZINC000192372854 473674552 /nfs/dbraw/zinc/67/45/52/473674552.db2.gz DQDOLMQSJODYJJ-HNNXBMFYSA-N 1 0 338.249 2.550 40 30 EFEBRO C#CCN(C)Cc1nc(C2(O)CC[NH+](CC(C)(C)C)CC2)cs1 ZINC000225424432 474211855 /nfs/dbraw/zinc/21/18/55/474211855.db2.gz VBNKPYIOVPQSKI-UHFFFAOYSA-N 1 0 335.517 2.538 40 30 biogenic,in-vitro EFEBRO CC(=O)Nc1ccc(CC(=[NH2+])NOC(=O)c2ccc(C)cc2)cc1 ZINC000226102656 474239693 /nfs/dbraw/zinc/23/96/93/474239693.db2.gz YJUNYJYMFBSOPT-UHFFFAOYSA-N 1 0 325.368 2.625 40 30 EFEBRO CC(=O)N[C@H]1CCCN(Cc2cccn2Cc2ccccc2C#N)C1 ZINC000189664414 474459692 /nfs/dbraw/zinc/45/96/92/474459692.db2.gz AVFQZFFTKPCVNH-IBGZPJMESA-N 1 0 336.439 2.509 40 30 EFEBRO C=CCNC(=O)C[NH2+][C@H]1CCN(CC)[C@H]1c1ccc(Cl)c(F)c1 ZINC000252509157 474687901 /nfs/dbraw/zinc/68/79/01/474687901.db2.gz YDKJVXDPZAHERS-RDJZCZTQSA-N 1 0 339.842 2.506 40 30 EFEBRO N#Cc1ccc(C(=O)NCC2CC[NH+](C3CCSCC3)CC2)cc1 ZINC000252550888 474695580 /nfs/dbraw/zinc/69/55/80/474695580.db2.gz SZTUYMOSLNPMQX-UHFFFAOYSA-N 1 0 343.496 2.896 40 30 EFEBRO C=CCN1CC[C@]2(C[N@H+](Cc3ccoc3)C[C@H]2c2nccs2)C1=O ZINC000306132766 474808933 /nfs/dbraw/zinc/80/89/33/474808933.db2.gz LRSGBZSQQHJPOP-MAUKXSAKSA-N 1 0 343.452 2.740 40 30 EFEBRO COC(=O)[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1c1ccc(O)cc1 ZINC000296079739 475190191 /nfs/dbraw/zinc/19/01/91/475190191.db2.gz QLUFALPSEIMYPN-RBUKOAKNSA-N 1 0 336.391 2.652 40 30 EFEBRO CC(=O)NCCOc1cccc2ccc[n+](CC(=O)c3ccccc3)c21 ZINC000408718586 476972566 /nfs/dbraw/zinc/97/25/66/476972566.db2.gz FBDSHQPFOMNGDW-UHFFFAOYSA-O 1 0 349.410 2.525 40 30 EFEBRO COc1ccc(C(=[NH2+])NOC(=O)COc2cc(C)cc(C)c2)cc1 ZINC000005535127 523366577 /nfs/dbraw/zinc/36/65/77/523366577.db2.gz OBABWOMZONKXEQ-UHFFFAOYSA-N 1 0 328.368 2.555 40 30 EFEBRO C[NH+]=C(NCCC1CCCC1)NCc1ccc(C(=O)N(C)C)cc1 ZINC000080524726 526355010 /nfs/dbraw/zinc/35/50/10/526355010.db2.gz XOWCEVIPXMFYBT-UHFFFAOYSA-N 1 0 330.476 2.634 40 30 EFEBRO C[C@H](c1cccc(C#N)c1)[N@H+](C)C1CCN(CCn2cccn2)CC1 ZINC000189873473 237341983 /nfs/dbraw/zinc/34/19/83/237341983.db2.gz VBNSBHWTCBHYIT-QGZVFWFLSA-N 1 0 337.471 2.912 40 30 EFEBRO N#Cc1cccc(C(=O)N[C@@H]2CCCc3c2cnn3-c2cc[nH+]cc2)c1 ZINC000071195719 202342906 /nfs/dbraw/zinc/34/29/06/202342906.db2.gz JQLUPMGRRACVDJ-GOSISDBHSA-N 1 0 343.390 2.946 40 30 EFEBRO N#Cc1cccc(C(=O)N[C@H]2CCCc3c2cnn3-c2cc[nH+]cc2)c1 ZINC000071195720 202343117 /nfs/dbraw/zinc/34/31/17/202343117.db2.gz JQLUPMGRRACVDJ-SFHVURJKSA-N 1 0 343.390 2.946 40 30 EFEBRO C[C@H](NC(=O)CC1([NH+]2CCOCC2)CCCC1)c1cccc(C#N)c1 ZINC000072542985 202364311 /nfs/dbraw/zinc/36/43/11/202364311.db2.gz ZTDCZOVZBSWFOD-INIZCTEOSA-N 1 0 341.455 2.771 40 30 EFEBRO C#CCOc1ccccc1NC(=O)N1CCC([NH+]2CC=CC2)CC1 ZINC000188879766 201045685 /nfs/dbraw/zinc/04/56/85/201045685.db2.gz ZMQRRUOEDSLELO-UHFFFAOYSA-N 1 0 325.412 2.567 40 30 EFEBRO C=C(C)C[NH+]1CCC(NC(=O)NCCc2ccc(F)c(F)c2)CC1 ZINC000189391100 201046387 /nfs/dbraw/zinc/04/63/87/201046387.db2.gz PXRNHNQANUASCB-UHFFFAOYSA-N 1 0 337.414 2.847 40 30 EFEBRO Cc1nccc(NC(=O)N2CCC[N@H+](CC3CCCCC3)CC2)n1 ZINC000330101237 241487565 /nfs/dbraw/zinc/48/75/65/241487565.db2.gz FITIZTBINHCDOJ-UHFFFAOYSA-N 1 0 331.464 2.919 40 30 EFEBRO N#Cc1cccc(CCNC(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)c1 ZINC000253430106 243979817 /nfs/dbraw/zinc/97/98/17/243979817.db2.gz HXDBYZDKUGAGFT-IBGZPJMESA-N 1 0 340.471 2.761 40 30 EFEBRO C=CCn1cc(C[N@@H+]2CCc3nc(C)[nH]c(=O)c3C2)c2ccccc21 ZINC000019576552 212045947 /nfs/dbraw/zinc/04/59/47/212045947.db2.gz RURKDAFWBVMNGA-UHFFFAOYSA-N 1 0 334.423 2.777 40 30 EFEBRO COc1ccc(C(=O)[C@@]2(C)N(O)[C@@H](C)C(c3ccccc3)[N+]2=O)cc1 ZINC000007813393 205837490 /nfs/dbraw/zinc/83/74/90/205837490.db2.gz PKIIXIJXLRUQSM-DJJJIMSYSA-N 1 0 340.379 2.687 40 30 EFEBRO C[C@H](C[NH+]1CCCCC1)NC(=O)Nc1cn(C)nc1C(F)(F)F ZINC000331312975 278185228 /nfs/dbraw/zinc/18/52/28/278185228.db2.gz BDDYWDQBKFEFMH-SNVBAGLBSA-N 1 0 333.358 2.639 40 30 EFEBRO COc1ccc2c(c1)nc1n2[C@@H](C[NH2+]Cc2ccc(C#N)cc2)COC1 ZINC000096112676 473305982 /nfs/dbraw/zinc/30/59/82/473305982.db2.gz WRYSFHQUTLDZCA-INIZCTEOSA-N 1 0 348.406 2.778 40 30 biogenic,in-vitro EFEBRO C=CC[N@H+]1CCC[C@]12CCCN(S(=O)(=O)c1cccc(F)c1)C2 ZINC000096214819 473348070 /nfs/dbraw/zinc/34/80/70/473348070.db2.gz VOYDWUSWIKSHQL-QGZVFWFLSA-N 1 0 338.448 2.631 40 30 EFEBRO C#CC[NH+]1CCC(C(=O)N[C@H](C)[C@H](OC)c2ccc(Cl)cc2)CC1 ZINC000096412152 473391734 /nfs/dbraw/zinc/39/17/34/473391734.db2.gz JLCMBJMJYDSKTE-KDOFPFPSSA-N 1 0 348.874 2.877 40 30 EFEBRO CCOCCCNC(=O)C1CC[NH+]([C@@H](C)c2ccc(C#N)cc2)CC1 ZINC000096411337 473390597 /nfs/dbraw/zinc/39/05/97/473390597.db2.gz PMUONXVTGPFDER-INIZCTEOSA-N 1 0 343.471 2.874 40 30 EFEBRO COc1cc2c3c(c1OC)C1(C=CC(=O)C=C1)C[C@H]3[N+](C)(C)CC2 ZINC000000296273 471343254 /nfs/dbraw/zinc/34/32/54/471343254.db2.gz QUWNQGIEEDWQNY-OAHLLOKOSA-N 1 0 326.416 2.714 40 30 EFEBRO CNC(=[NH2+])NN=C(c1ccccc1)c1ccc(Br)cc1 ZINC000001572548 471393563 /nfs/dbraw/zinc/39/35/63/471393563.db2.gz SOFUQTGDLLAPQE-RGEXLXHISA-N 1 0 331.217 2.945 40 30 EFEBRO CC[C@H]1C[N@@H+]2CC[C@H]1C[C@@H]2CNC(=S)Nc1ccc(C#N)cc1 ZINC000008254548 471675170 /nfs/dbraw/zinc/67/51/70/471675170.db2.gz SRLGWCYJRDYROK-YQQAZPJKSA-N 1 0 328.485 2.965 40 30 biogenic,in-vitro EFEBRO C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](C[NH+]4CCN(C)CC4)[C@H]3C[C@@H]12 ZINC000019703405 471983218 /nfs/dbraw/zinc/98/32/18/471983218.db2.gz LLAWFIRDWMEMEQ-BFMVXSJESA-N 1 0 332.488 2.548 40 30 biogenic EFEBRO C#CC[NH+]1CCC(C(=O)NC[C@H]2CCCc3cc(OC)ccc32)CC1 ZINC000097380072 472494779 /nfs/dbraw/zinc/49/47/79/472494779.db2.gz FTXLTMXPUYMDLP-GOSISDBHSA-N 1 0 340.467 2.577 40 30 EFEBRO C#CC[NH+]1CCC(C(=O)N2CC[C@H](CSc3ccccc3)C2)CC1 ZINC000081287214 473175333 /nfs/dbraw/zinc/17/53/33/473175333.db2.gz FNVIUIBIUSGESP-KRWDZBQOSA-N 1 0 342.508 2.972 40 30 EFEBRO C#CC[NH+]1CCC(C(=O)N2CC[C@@H](CSc3ccccc3)C2)CC1 ZINC000081287216 473175916 /nfs/dbraw/zinc/17/59/16/473175916.db2.gz FNVIUIBIUSGESP-QGZVFWFLSA-N 1 0 342.508 2.972 40 30 EFEBRO CC[NH+]=C(NCCc1ccc2c(c1)CCO2)NCc1c(C)noc1C ZINC000095405856 473198093 /nfs/dbraw/zinc/19/80/93/473198093.db2.gz DRZGQUUVVBCBMY-UHFFFAOYSA-N 1 0 342.443 2.524 40 30 EFEBRO C=CCO[C@H](C)C(=O)Nc1ccc(N2CCC(C[NH+](C)C)CC2)cc1 ZINC000096413973 473392623 /nfs/dbraw/zinc/39/26/23/473392623.db2.gz BHGORJAIPIHLMX-MRXNPFEDSA-N 1 0 345.487 2.994 40 30 EFEBRO C[N@H+](CCC(=O)NCc1ccc(F)cc1)Cc1ccc(C#N)cc1 ZINC000096435716 473415562 /nfs/dbraw/zinc/41/55/62/473415562.db2.gz VYGLTIRTQVHTHQ-UHFFFAOYSA-N 1 0 325.387 2.836 40 30 EFEBRO C=C(C)C[NH+]1CCC(NC(=O)NC[C@@H](C)Oc2ccccc2F)CC1 ZINC000096439935 473419109 /nfs/dbraw/zinc/41/91/09/473419109.db2.gz DWQPDQYYNXREBA-OAHLLOKOSA-N 1 0 349.450 2.933 40 30 EFEBRO C[NH+]=C(NC[C@@H]1CCOC1)N(C)Cc1ccc(C(F)(F)F)cc1 ZINC000114086163 473439817 /nfs/dbraw/zinc/43/98/17/473439817.db2.gz YANLRUGRQRINBC-ZDUSSCGKSA-N 1 0 329.366 2.749 40 30 EFEBRO CCO[C@H]1C[C@H]([NH2+]C2CCN(c3ccc(C#N)cn3)CC2)C1(C)C ZINC000096493388 473449633 /nfs/dbraw/zinc/44/96/33/473449633.db2.gz YSUPNIFPKXLKQB-IRXDYDNUSA-N 1 0 328.460 2.715 40 30 EFEBRO C[C@@H]([NH2+][C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1cncc(F)c1 ZINC000096500306 473452107 /nfs/dbraw/zinc/45/21/07/473452107.db2.gz AOQLAMMWIONZOD-FZKQIMNGSA-N 1 0 338.386 2.939 40 30 EFEBRO CC(=O)Nc1ccc(CC(=[NH2+])NOC(=O)c2ccccc2C)cc1 ZINC000226102643 474240433 /nfs/dbraw/zinc/24/04/33/474240433.db2.gz WTYNMZOTRCXWEZ-UHFFFAOYSA-N 1 0 325.368 2.625 40 30 EFEBRO CC(=O)N[C@@H]1CCCN(Cc2cccn2Cc2ccccc2C#N)C1 ZINC000189664396 474459441 /nfs/dbraw/zinc/45/94/41/474459441.db2.gz AVFQZFFTKPCVNH-LJQANCHMSA-N 1 0 336.439 2.509 40 30 EFEBRO C=CCc1cc(CN2C[C@H](CC)O[C@@]3(CCOC3)C2)cc(OC)c1O ZINC000240423786 474549162 /nfs/dbraw/zinc/54/91/62/474549162.db2.gz FQVBHLDZHJNYMA-PXNSSMCTSA-N 1 0 347.455 2.899 40 30 EFEBRO C=CCOC[C@@H]1C[C@@H]2OCCN(Cc3ccc4c(c3)OCO4)[C@H]2C1 ZINC000253377409 474730556 /nfs/dbraw/zinc/73/05/56/474730556.db2.gz WZSSLRDHKPLYIB-BQFCYCMXSA-N 1 0 331.412 2.597 40 30 EFEBRO CO[C@]1(C(=O)Nc2nc(CN3CCC[C@@H](C)C3)cs2)CCOC1 ZINC000330015772 475184365 /nfs/dbraw/zinc/18/43/65/475184365.db2.gz ONMVHWITQNSJSY-MLGOLLRUSA-N 1 0 339.461 2.769 40 30 EFEBRO CCc1nc(C#N)cc(N[C@@H](c2nccn2C)c2cccc(OC)c2)n1 ZINC000585141510 479298985 /nfs/dbraw/zinc/29/89/85/479298985.db2.gz AWVSGAREFZJBKA-GOSISDBHSA-N 1 0 348.410 2.854 40 30 EFEBRO C[C@@H](c1cccc(C#N)c1)[N@H+](C)C1CCN(CCn2cccn2)CC1 ZINC000189873453 534079435 /nfs/dbraw/zinc/07/94/35/534079435.db2.gz VBNSBHWTCBHYIT-KRWDZBQOSA-N 1 0 337.471 2.912 40 30 EFEBRO CCOC(=O)c1c(NC(=O)C[n+]2ccccc2)sc2c1CCCC2 ZINC000004129298 210127902 /nfs/dbraw/zinc/12/79/02/210127902.db2.gz YOTGQQJOLGZTGV-UHFFFAOYSA-O 1 0 345.444 2.730 40 30 EFEBRO CN1CCN(C[C@@H]([NH2+]Cc2cccc(C#N)c2)c2ccccc2)CC1 ZINC000069171113 215366612 /nfs/dbraw/zinc/36/66/12/215366612.db2.gz ZLLVVNHZGYYCIP-OAQYLSRUSA-N 1 0 334.467 2.637 40 30 EFEBRO N#C[C@H](NC(=O)CC1([NH+]2CCOCC2)CCCC1)c1ccccc1F ZINC000073336576 216379418 /nfs/dbraw/zinc/37/94/18/216379418.db2.gz UHMJPZDAXDDGKM-KRWDZBQOSA-N 1 0 345.418 2.542 40 30 EFEBRO [NH2+]=C(NCCc1c[nH]c2ccc(F)cc12)Nc1ncccc1[N+](=O)[O-] ZINC000225242264 240232376 /nfs/dbraw/zinc/23/23/76/240232376.db2.gz DIMIVQUXFZRGEL-UHFFFAOYSA-N 1 0 342.334 2.580 40 30 EFEBRO C=CCn1cc(CN2C[C@@H]3CCC[N@H+]3C[C@@H]2CCSC)c(C)n1 ZINC000019552334 212040651 /nfs/dbraw/zinc/04/06/51/212040651.db2.gz OSUHMXPDIOQWOQ-ROUUACIJSA-N 1 0 334.533 2.779 40 30 EFEBRO C#CC[NH+]1CCC(C(=O)NC[C@H](C)Oc2ccccc2Cl)CC1 ZINC000078226686 217031167 /nfs/dbraw/zinc/03/11/67/217031167.db2.gz GGNBSQUTEALWAP-AWEZNQCLSA-N 1 0 334.847 2.569 40 30 EFEBRO N#Cc1ccc(NC(=O)CC[N@H+]2CCCC[C@H]2CCO)cc1Cl ZINC000078776821 217119820 /nfs/dbraw/zinc/11/98/20/217119820.db2.gz CFUZMBGCKHLXSK-HNNXBMFYSA-N 1 0 335.835 2.777 40 30 EFEBRO C=C[C@H]1C[N@@H+]2CC[C@H]1C[C@@H]2CNC(=S)Nc1ccc(C#N)cc1 ZINC000008254577 544421348 /nfs/dbraw/zinc/42/13/48/544421348.db2.gz KKCGANUMVWSTTK-YQQAZPJKSA-N 1 0 326.469 2.741 40 30 biogenic,in-vitro EFEBRO CC1(C)Cc2c(C#N)c(N3CC[NH2+]CC3)nc(-c3ccccc3)c2CO1 ZINC000003077643 281369316 /nfs/dbraw/zinc/36/93/16/281369316.db2.gz BYFBDENSOYQTMX-UHFFFAOYSA-N 1 0 348.450 2.881 40 30 EFEBRO CC[NH+]=C(NCc1c(C)noc1C)NC[C@@H]1CCO[C@H]1C(C)(C)C ZINC000095406338 473199043 /nfs/dbraw/zinc/19/90/43/473199043.db2.gz FARYDZNIZZEAAF-GOEBONIOSA-N 1 0 336.480 2.798 40 30 EFEBRO C[NH+]=C(NCCCOC[C@@H]1CCOC1)NC1CC(c2ccccc2)C1 ZINC000081660146 473240226 /nfs/dbraw/zinc/24/02/26/473240226.db2.gz KCWLPLLAOPUITN-IVMQYODDSA-N 1 0 345.487 2.541 40 30 EFEBRO N#Cc1cccc(N[C@H]2CO[C@]3(C2)CCC[N@H+](Cc2cccnc2)C3)n1 ZINC000096048318 473270581 /nfs/dbraw/zinc/27/05/81/473270581.db2.gz WXLMDHRJKZPTAJ-QUCCMNQESA-N 1 0 349.438 2.584 40 30 EFEBRO N#Cc1cccc(N[C@@H]2CO[C@]3(C2)CCC[N@H+](Cc2cccnc2)C3)n1 ZINC000096048319 473271629 /nfs/dbraw/zinc/27/16/29/473271629.db2.gz WXLMDHRJKZPTAJ-ICSRJNTNSA-N 1 0 349.438 2.584 40 30 EFEBRO C=CCOC[C@]12CCCO[C@H]1CC[N@@H+](Cc1cccnc1OC)C2 ZINC000096065027 473286455 /nfs/dbraw/zinc/28/64/55/473286455.db2.gz PBGGRZCRGTXFQM-PKOBYXMFSA-N 1 0 332.444 2.664 40 30 EFEBRO C=CC[N@H+]1CCC[C@]12CCCN(C(=O)Cc1ccc(OC)cc1)C2 ZINC000096214769 473347636 /nfs/dbraw/zinc/34/76/36/473347636.db2.gz UFJRFDMMBVBOBN-FQEVSTJZSA-N 1 0 328.456 2.881 40 30 EFEBRO C=CC[N@H+]1CCC[C@@]12CCCN(S(=O)(=O)c1cccc(F)c1)C2 ZINC000096214818 473347661 /nfs/dbraw/zinc/34/76/61/473347661.db2.gz VOYDWUSWIKSHQL-KRWDZBQOSA-N 1 0 338.448 2.631 40 30 EFEBRO N#Cc1ccc(N2C[C@]3(CC[N@H+](Cc4cccnc4)C3)CC2=O)cc1 ZINC000096238840 473361033 /nfs/dbraw/zinc/36/10/33/473361033.db2.gz FCJXYTMYNKXCKD-HXUWFJFHSA-N 1 0 332.407 2.582 40 30 EFEBRO N#Cc1cccc(C[N@@H+]2CCc3ncnc(N4CCCC4)c3CC2)c1 ZINC000096255443 473366191 /nfs/dbraw/zinc/36/61/91/473366191.db2.gz GLCAGKNXLNJSBK-UHFFFAOYSA-N 1 0 333.439 2.549 40 30 EFEBRO C[NH+]=C(NCc1nncn1C)N[C@@H](C)c1ccc(Cl)cc1Cl ZINC000096406101 473383259 /nfs/dbraw/zinc/38/32/59/473383259.db2.gz WGBYMHZJRXWTEX-VIFPVBQESA-N 1 0 341.246 2.548 40 30 EFEBRO C[NH+]=C(NCc1nncn1C)N[C@H](C)c1ccc(Cl)cc1Cl ZINC000096406102 473382559 /nfs/dbraw/zinc/38/25/59/473382559.db2.gz WGBYMHZJRXWTEX-SECBINFHSA-N 1 0 341.246 2.548 40 30 EFEBRO CC[NH+]=C(NCCc1csc(C)n1)NCc1ccc(OC)cc1 ZINC000096406079 473382684 /nfs/dbraw/zinc/38/26/84/473382684.db2.gz LVYATTDRYUZBEL-UHFFFAOYSA-N 1 0 332.473 2.758 40 30 EFEBRO C/C(=N/NC(=S)N1CC[NH+](C2CCCCC2)CC1)c1ccccn1 ZINC000005618894 471513612 /nfs/dbraw/zinc/51/36/12/471513612.db2.gz XRNUKBNDPNWHJV-HKWRFOASSA-N 1 0 345.516 2.630 40 30 EFEBRO CC[NH+](CC)CCC[C@@H](C)NC(=S)N/N=C(/C)c1ccccn1 ZINC000006381983 471543656 /nfs/dbraw/zinc/54/36/56/471543656.db2.gz JDELQHHBOGXZLZ-MYKQLWFJSA-N 1 0 335.521 2.780 40 30 EFEBRO COc1ccc(C(=O)[C@@]2(C)N(O)[C@H](C)C(c3ccccc3)[N+]2=O)cc1 ZINC000007813392 471640211 /nfs/dbraw/zinc/64/02/11/471640211.db2.gz PKIIXIJXLRUQSM-YJYMSZOUSA-N 1 0 340.379 2.687 40 30 EFEBRO C=C[C@H]1C[N@H+]2CC[C@H]1C[C@@H]2CNS(=O)(=O)c1ccc(Cl)cc1 ZINC000008300021 471679338 /nfs/dbraw/zinc/67/93/38/471679338.db2.gz XXTIOPHTWLFTFB-KCQAQPDRSA-N 1 0 340.876 2.515 40 30 biogenic,in-vitro EFEBRO [NH2+]=C(NCCc1nccn1Cc1ccccc1)N1CCCCCC1 ZINC000097228066 472483955 /nfs/dbraw/zinc/48/39/55/472483955.db2.gz RASNNOWNTPHNRM-UHFFFAOYSA-N 1 0 325.460 2.665 40 30 EFEBRO C[C@@H](CCNC(=O)NCc1cc(C#N)ccc1F)[NH+]1CCCCC1 ZINC000097372866 472493642 /nfs/dbraw/zinc/49/36/42/472493642.db2.gz REQTWHWDLFQCJX-AWEZNQCLSA-N 1 0 332.423 2.761 40 30 EFEBRO N#CCSCC(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000046025032 472497759 /nfs/dbraw/zinc/49/77/59/472497759.db2.gz HORRJIQLOGFTBF-UHFFFAOYSA-N 1 0 337.876 2.677 40 30 EFEBRO C=CCN(C)C(=O)N[C@@H]1CC[N@H+](C2CC2)[C@@H]1c1cccc(OC)c1 ZINC000155745968 472607046 /nfs/dbraw/zinc/60/70/46/472607046.db2.gz OKUCZINNYBZCPM-QZTJIDSGSA-N 1 0 329.444 2.800 40 30 EFEBRO C=C(C)C[NH+]1CCC(NC(=O)N[C@@H]2CCO[C@@H]2c2ccccc2)CC1 ZINC000096446993 473424857 /nfs/dbraw/zinc/42/48/57/473424857.db2.gz HPFBMPIYQMPANV-RTBURBONSA-N 1 0 343.471 2.856 40 30 EFEBRO COc1ccc(C[NH2+]CCc2nc3ccc(F)cc3n2C)cc1C#N ZINC000096447827 473426100 /nfs/dbraw/zinc/42/61/00/473426100.db2.gz HXDMKIHGJXOJJD-UHFFFAOYSA-N 1 0 338.386 2.925 40 30 EFEBRO N#C[C@@H](NC(=O)CC1([NH+]2CCOCC2)CCCC1)C1CCCCC1 ZINC000096451400 473427476 /nfs/dbraw/zinc/42/74/76/473427476.db2.gz ZELRLVDMZGZHNV-QGZVFWFLSA-N 1 0 333.476 2.610 40 30 EFEBRO C[C@H](NC(=[NH2+])NCCc1ccnn1C)c1ccc(Cl)cc1Cl ZINC000225602214 474229292 /nfs/dbraw/zinc/22/92/92/474229292.db2.gz WGXNJGZGYHTROF-JTQLQIEISA-N 1 0 340.258 2.935 40 30 EFEBRO CC[NH+]1CCN(c2c(N)cc(C#N)n2Cc2ccccc2Cl)CC1 ZINC000225869860 474238984 /nfs/dbraw/zinc/23/89/84/474238984.db2.gz ILWUTZIAYVZWID-UHFFFAOYSA-N 1 0 343.862 2.786 40 30 EFEBRO CCN1CC[NH+](C[C@@H](C)CNc2nc3c(cc2C#N)CCCC3)CC1 ZINC000189443651 474400634 /nfs/dbraw/zinc/40/06/34/474400634.db2.gz RHAOWUBOHBHWIG-INIZCTEOSA-N 1 0 341.503 2.518 40 30 EFEBRO C#C[C@@H](NC(=O)NCc1ccc(OC2CC[NH+](C)CC2)cc1)C(C)C ZINC000242106192 474558156 /nfs/dbraw/zinc/55/81/56/474558156.db2.gz WHTOVDMFFIZXOY-LJQANCHMSA-N 1 0 343.471 2.617 40 30 EFEBRO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000253426026 474751610 /nfs/dbraw/zinc/75/16/10/474751610.db2.gz FKLZDXWZWDHBTG-WMZOPIPTSA-N 1 0 335.492 2.628 40 30 EFEBRO N#Cc1ccc(NCC2CC[NH+](C[C@H](O)c3ccccc3)CC2)cn1 ZINC000253431497 474756126 /nfs/dbraw/zinc/75/61/26/474756126.db2.gz HIILDYWKLULPDG-FQEVSTJZSA-N 1 0 336.439 2.811 40 30 EFEBRO CO[C@]1(C(=O)Nc2nc(CN3CCC[C@H](C)C3)cs2)CCOC1 ZINC000330015770 475184223 /nfs/dbraw/zinc/18/42/23/475184223.db2.gz ONMVHWITQNSJSY-BLLLJJGKSA-N 1 0 339.461 2.769 40 30 EFEBRO CC[NH+]=C(NCCc1ccc2c(c1)CCO2)NCc1cnc(C)s1 ZINC000096445612 520204513 /nfs/dbraw/zinc/20/45/13/520204513.db2.gz YAADBMBZUAWTFY-UHFFFAOYSA-N 1 0 344.484 2.684 40 30 EFEBRO CC[NH+](CC)CCC[C@H](C)NC(=S)N/N=C(/C)c1ccccn1 ZINC000005493520 520636882 /nfs/dbraw/zinc/63/68/82/520636882.db2.gz JDELQHHBOGXZLZ-HGVMIPIXSA-N 1 0 335.521 2.780 40 30 EFEBRO CCn1nncc1C(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000328832821 535920948 /nfs/dbraw/zinc/92/09/48/535920948.db2.gz KWOLJEDHOYYRNU-WFASDCNBSA-N 1 0 333.461 2.747 40 30 EFEBRO N#Cc1c[nH]c(C(=O)N2CCCN(Cc3ccc(Cl)cc3)CC2)c1 ZINC000175164141 231396622 /nfs/dbraw/zinc/39/66/22/231396622.db2.gz ONESAPSZDMPCEX-UHFFFAOYSA-N 1 0 342.830 2.888 40 30 EFEBRO COc1cccc(C(=O)C[n+]2cc(-c3ccc(F)cc3)n(C)c2N)c1 ZINC000004435656 210192323 /nfs/dbraw/zinc/19/23/23/210192323.db2.gz IDBOSWJZEGFIDK-UHFFFAOYSA-O 1 0 340.378 2.592 40 30 EFEBRO N#Cc1ccnc(N2CCC[C@@H]([NH2+]Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000096472299 283221763 /nfs/dbraw/zinc/22/17/63/283221763.db2.gz COWVQIYLNWXBFF-MRXNPFEDSA-N 1 0 337.383 2.620 40 30 EFEBRO COc1cc2c3c(c1OC)C1(C=CC(=O)C=C1)C[C@@H]3[N+](C)(C)CC2 ZINC000000296272 209521473 /nfs/dbraw/zinc/52/14/73/209521473.db2.gz QUWNQGIEEDWQNY-HNNXBMFYSA-N 1 0 326.416 2.714 40 30 EFEBRO C[NH+]=C(NCc1ncc(C)s1)N[C@H](C)c1cc(OC)ccc1OC ZINC000075077662 216549718 /nfs/dbraw/zinc/54/97/18/216549718.db2.gz GYJRJYYJCCENLZ-GFCCVEGCSA-N 1 0 348.472 2.895 40 30 EFEBRO CN(C(=[NH2+])NCCOc1ncc(C(F)(F)F)cc1Cl)C1CC1 ZINC000225574480 241931577 /nfs/dbraw/zinc/93/15/77/241931577.db2.gz DYQLZJSQZUYXGA-UHFFFAOYSA-N 1 0 336.745 2.542 40 30 EFEBRO CC[NH+](CC)C[C@H]1Cn2ccnc2CN(Cc2cccc(C#N)c2)C1 ZINC000096066913 284735250 /nfs/dbraw/zinc/73/52/50/284735250.db2.gz NOKHQGFXXSAIMO-LJQANCHMSA-N 1 0 337.471 2.729 40 30 EFEBRO CN1CC[NH+](C[C@H]2CCCN(c3c(Cl)cccc3C#N)C2)CC1 ZINC000095403191 218338350 /nfs/dbraw/zinc/33/83/50/218338350.db2.gz MKLNFFYXIZBCRV-OAHLLOKOSA-N 1 0 332.879 2.675 40 30 EFEBRO C=C(C)CNC(=O)N[C@@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000119065819 221235666 /nfs/dbraw/zinc/23/56/66/221235666.db2.gz AJMQKFLERGCDKC-AWEZNQCLSA-N 1 0 334.439 2.514 40 30 EFEBRO C[NH+]=C(NCc1nccs1)N1CCO[C@@H](c2ccccc2C)C1 ZINC000161725185 275409151 /nfs/dbraw/zinc/40/91/51/275409151.db2.gz YACHFOZLGPNTAL-OAHLLOKOSA-N 1 0 330.457 2.600 40 30 EFEBRO CC[C@H](C#N)S(=O)(=O)N(C)C1CC[NH+](C2CCC(C)CC2)CC1 ZINC000095439658 473204918 /nfs/dbraw/zinc/20/49/18/473204918.db2.gz IAHXRRRDJXIDFS-BDVYOWHSSA-N 1 0 341.521 2.593 40 30 EFEBRO CNC(NCC1(c2cccc(C(F)(F)F)c2)CCOCC1)=[NH+]C ZINC000161543379 473242977 /nfs/dbraw/zinc/24/29/77/473242977.db2.gz WYWDGLOGRUMZQV-UHFFFAOYSA-N 1 0 329.366 2.548 40 30 EFEBRO N#Cc1cccc(N[C@@H]2CO[C@]3(CC[N@H+](Cc4ccsc4)C3)C2)n1 ZINC000096047661 473268873 /nfs/dbraw/zinc/26/88/73/473268873.db2.gz USPBKFNLMRPHCN-FUHWJXTLSA-N 1 0 340.452 2.860 40 30 EFEBRO N#Cc1cccc(N[C@H]2CO[C@]3(CC[N@H+](Cc4ccsc4)C3)C2)n1 ZINC000096047660 473269350 /nfs/dbraw/zinc/26/93/50/473269350.db2.gz USPBKFNLMRPHCN-SJLPKXTDSA-N 1 0 340.452 2.860 40 30 EFEBRO N#Cc1cccc(N[C@H]2CO[C@@]3(CC[N@H+](Cc4ccsc4)C3)C2)n1 ZINC000096047662 473269931 /nfs/dbraw/zinc/26/99/31/473269931.db2.gz USPBKFNLMRPHCN-AEFFLSMTSA-N 1 0 340.452 2.860 40 30 EFEBRO N#Cc1cccc(N[C@@H]2CO[C@@]3(C2)CCC[N@H+](Cc2ccncc2)C3)n1 ZINC000096048321 473271976 /nfs/dbraw/zinc/27/19/76/473271976.db2.gz ZNLYYYAVMFWZJG-AZUAARDMSA-N 1 0 349.438 2.584 40 30 EFEBRO C=CC[NH+]1CCC(NC(=O)Cc2ccc(Br)cc2)CC1 ZINC000096182346 473325052 /nfs/dbraw/zinc/32/50/52/473325052.db2.gz WMKCFBHOBCWJHA-UHFFFAOYSA-N 1 0 337.261 2.758 40 30 EFEBRO N#Cc1cccc(C[N@H+]2CC[C@H]3[C@@H]2CCC(=O)N3c2cccnc2)c1 ZINC000096186461 473329800 /nfs/dbraw/zinc/32/98/00/473329800.db2.gz VUXAGBUHIJCOBI-OALUTQOASA-N 1 0 332.407 2.723 40 30 EFEBRO C=CCO[C@@H]1CC[N@H+](Cc2cccc(C#N)c2)[C@H]1Cc1cnn(C)c1 ZINC000096200243 473336233 /nfs/dbraw/zinc/33/62/33/473336233.db2.gz QQKHJCCOBIZHJV-VQTJNVASSA-N 1 0 336.439 2.680 40 30 EFEBRO C=CC[N@H+]1CCC[C@@]12CCCN(C(=O)Cc1ccc(OC)cc1)C2 ZINC000096214771 473347681 /nfs/dbraw/zinc/34/76/81/473347681.db2.gz UFJRFDMMBVBOBN-HXUWFJFHSA-N 1 0 328.456 2.881 40 30 EFEBRO C=C(C)C#C[C@@](O)(C(=O)O[C@@H]1C[NH+]2CCC1CC2)C1CCCCC1 ZINC000001640756 471394505 /nfs/dbraw/zinc/39/45/05/471394505.db2.gz JMTZQKLHHPNCSG-QUCCMNQESA-N 1 0 331.456 2.515 40 30 EFEBRO COc1ccc(C(=O)/C=C/c2ccc(OCC(N)=[NH2+])cc2)cc1OC ZINC000005856412 471523077 /nfs/dbraw/zinc/52/30/77/471523077.db2.gz OJHRQGQGFMCKSK-WEVVVXLNSA-N 1 0 340.379 2.915 40 30 EFEBRO CC(C)C#C[C@](O)(C(=O)O[C@@H]1C2CC[NH+](CC2)[C@H]1C)C1CCCCC1 ZINC000005954666 471526741 /nfs/dbraw/zinc/52/67/41/471526741.db2.gz QAPPZPYLSRRINH-NBHGPNQESA-N 1 0 347.499 2.983 40 30 EFEBRO CC(C)C#C[C@](O)(C(=O)O[C@@H]1C2CC[NH+](CC2)[C@@H]1C)C1CCCCC1 ZINC000005954665 471527295 /nfs/dbraw/zinc/52/72/95/471527295.db2.gz QAPPZPYLSRRINH-LKUPVBHCSA-N 1 0 347.499 2.983 40 30 EFEBRO C=CCNC(=O)c1ccc(C[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000020241721 471988350 /nfs/dbraw/zinc/98/83/50/471988350.db2.gz VWBXACCLCACUFB-UHFFFAOYSA-N 1 0 335.451 2.925 40 30 EFEBRO CC[NH+]=C(NCc1ncnn1C)NC1CCC(c2ccccc2)CC1 ZINC000086703476 472291971 /nfs/dbraw/zinc/29/19/71/472291971.db2.gz YIENUMRJHKRRLL-UHFFFAOYSA-N 1 0 340.475 2.597 40 30 EFEBRO COc1ccc(C[N@@H+]2CCCN(C(=O)c3ccc(C#N)cc3)CC2)cc1 ZINC000044892239 472348843 /nfs/dbraw/zinc/34/88/43/472348843.db2.gz FHWIWZJBFYWKFM-UHFFFAOYSA-N 1 0 349.434 2.915 40 30 EFEBRO C=CC[NH+]1CCC(NC(=O)NCc2ccc(N3CC=CC3)cc2)CC1 ZINC000102735874 472590799 /nfs/dbraw/zinc/59/07/99/472590799.db2.gz POIVGFVSTVPPPY-UHFFFAOYSA-N 1 0 340.471 2.512 40 30 EFEBRO CC[N@H+](C)C[C@H]1CCN(Cc2c(C#N)c(C)nn2-c2ccccc2)C1 ZINC000091071905 472693593 /nfs/dbraw/zinc/69/35/93/472693593.db2.gz ZBWKJBXVNYEXSZ-QGZVFWFLSA-N 1 0 337.471 2.826 40 30 EFEBRO N#Cc1cccc(N[C@H]2CO[C@]3(C2)CCC[N@H+](Cc2ccccn2)C3)n1 ZINC000107730732 472978939 /nfs/dbraw/zinc/97/89/39/472978939.db2.gz LQDCYOSCNOXXFJ-QUCCMNQESA-N 1 0 349.438 2.584 40 30 EFEBRO C[NH+]=C(NCc1ncc(C)s1)N[C@@H](C)c1cc(OC)ccc1OC ZINC000075077661 473121235 /nfs/dbraw/zinc/12/12/35/473121235.db2.gz GYJRJYYJCCENLZ-LBPRGKRZSA-N 1 0 348.472 2.895 40 30 EFEBRO COc1ccc(CNC(=O)NCC#CC[NH+](C(C)C)C(C)C)cc1 ZINC000075164535 473144598 /nfs/dbraw/zinc/14/45/98/473144598.db2.gz IRZJRVVHUADBGU-UHFFFAOYSA-N 1 0 331.460 2.617 40 30 EFEBRO C[C@H](C[NH2+][C@@H](C(N)=O)c1ccc(C#N)cc1)Oc1ccccc1Cl ZINC000096437227 473416119 /nfs/dbraw/zinc/41/61/19/473416119.db2.gz MULXTTMCIGGDTL-SJKOYZFVSA-N 1 0 343.814 2.795 40 30 EFEBRO C[NH+]=C(NCC1(C(=O)N(C)C)CCCC1)N[C@@H](C)c1ccccc1 ZINC000096461879 473433953 /nfs/dbraw/zinc/43/39/53/473433953.db2.gz OXBYXQWQYMJUNT-HNNXBMFYSA-N 1 0 330.476 2.561 40 30 EFEBRO C[NH+]=C(NCc1ccon1)N[C@@H]1CCCN(c2ccccc2Cl)C1 ZINC000096462457 473434848 /nfs/dbraw/zinc/43/48/48/473434848.db2.gz PVVIOOBRAZCVCU-CQSZACIVSA-N 1 0 347.850 2.662 40 30 EFEBRO CC(C)C(=O)N[C@H]1CCC[N@H+](CCCOc2cccc(C#N)c2)C1 ZINC000096476116 473439845 /nfs/dbraw/zinc/43/98/45/473439845.db2.gz KIDOVRLGDIVXNT-KRWDZBQOSA-N 1 0 329.444 2.564 40 30 EFEBRO CC(C)[C@@](C)([NH2+]CC(=O)NCC#N)c1ccc(Br)cc1 ZINC000192372859 473674600 /nfs/dbraw/zinc/67/46/00/473674600.db2.gz DQDOLMQSJODYJJ-OAHLLOKOSA-N 1 0 338.249 2.550 40 30 EFEBRO C[C@@H]([NH2+][C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1cccc(O)c1 ZINC000194970194 473985430 /nfs/dbraw/zinc/98/54/30/473985430.db2.gz NTFOIENJTKGJIR-KUHUBIRLSA-N 1 0 335.407 2.716 40 30 EFEBRO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CCC[C@@H]1C[C@@H](O)c1ccccc1 ZINC000195531574 474090118 /nfs/dbraw/zinc/09/01/18/474090118.db2.gz ONXQAFOXRPXIEX-GGPKGHCWSA-N 1 0 343.471 2.629 40 30 EFEBRO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CCC[C@H]1C[C@H](O)c1ccccc1 ZINC000245338787 474573153 /nfs/dbraw/zinc/57/31/53/474573153.db2.gz ONXQAFOXRPXIEX-BJLQDIEVSA-N 1 0 343.471 2.629 40 30 EFEBRO N#C[C@@H]1CSCCN1C(=O)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000253418178 474745107 /nfs/dbraw/zinc/74/51/07/474745107.db2.gz VGBNEXLBAPXPEQ-DOTOQJQBSA-N 1 0 347.459 2.505 40 30 EFEBRO C=CCN1CC[C@@]2(C[N@H+](Cc3ccco3)C[C@H]2c2nccs2)C1=O ZINC000306132004 474810050 /nfs/dbraw/zinc/81/00/50/474810050.db2.gz KVLIIEJUUGHHAB-YJBOKZPZSA-N 1 0 343.452 2.740 40 30 EFEBRO CO[C@@]1(C(=O)Nc2nc(CN3CCC[C@H](C)C3)cs2)CCOC1 ZINC000330015771 475184391 /nfs/dbraw/zinc/18/43/91/475184391.db2.gz ONMVHWITQNSJSY-LRDDRELGSA-N 1 0 339.461 2.769 40 30 EFEBRO Cc1c(CCO)sc[n+]1CC(=O)O[C@H]1C[C@H](C)CC[C@@H]1C(C)C ZINC000004750924 525702767 /nfs/dbraw/zinc/70/27/67/525702767.db2.gz PXEDQFWOBVMMCP-BMFZPTHFSA-N 1 0 340.509 2.883 40 30 EFEBRO C[NH+]1CCN(/C=N/C2=NN(c3cccc(C(F)(F)F)c3)CC2)CC1 ZINC000003218859 1095442731 /nfs/dbraw/zinc/44/27/31/1095442731.db2.gz GQTFFEULGUPLRB-UDWIEESQSA-N 1 0 339.365 2.505 40 30 EFEBRO N#Cc1ccc([N+](=O)[O-])c(NC2CC[NH+](Cc3ccncc3)CC2)c1 ZINC000183711050 235204335 /nfs/dbraw/zinc/20/43/35/235204335.db2.gz SOTZTKRNKKTPGU-UHFFFAOYSA-N 1 0 337.383 2.938 40 30 EFEBRO C[C@@H](NC(=O)CC1([NH+]2CCOCC2)CCCC1)c1cccc(C#N)c1 ZINC000072542988 216271428 /nfs/dbraw/zinc/27/14/28/216271428.db2.gz ZTDCZOVZBSWFOD-MRXNPFEDSA-N 1 0 341.455 2.771 40 30 EFEBRO CC(C)Cn1c(C#N)cc(N)c1N1CC[NH+](Cc2ccccc2)CC1 ZINC000225871854 242068134 /nfs/dbraw/zinc/06/81/34/242068134.db2.gz QEOWTEDTHPSRFE-UHFFFAOYSA-N 1 0 337.471 2.920 40 30 EFEBRO C[C@H](NC(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@H]21)c1ccc(C#N)cc1 ZINC000230192253 242247509 /nfs/dbraw/zinc/24/75/09/242247509.db2.gz VVHBBJCFOCYYGN-BMGDILEWSA-N 1 0 326.444 2.745 40 30 EFEBRO C=CCNC(=O)C[NH+]1CCC(c2nc3cc(C)c(C)cc3[nH]2)CC1 ZINC000012475078 211392336 /nfs/dbraw/zinc/39/23/36/211392336.db2.gz KNDBTAYNKFITSD-UHFFFAOYSA-N 1 0 326.444 2.661 40 30 EFEBRO CN(C)C(=[NH2+])NC[C@H](c1ccccc1)N1CCc2sccc2C1 ZINC000170903997 544863167 /nfs/dbraw/zinc/86/31/67/544863167.db2.gz OWFGGXDWHLCUMG-MRXNPFEDSA-N 1 0 328.485 2.724 40 30 EFEBRO C#CC[NH+]1CCC(C(=O)N2CCSC[C@H]2c2ccc(C)cc2)CC1 ZINC000096407398 275381834 /nfs/dbraw/zinc/38/18/34/275381834.db2.gz URSXLSMLXNNVNL-IBGZPJMESA-N 1 0 342.508 2.957 40 30 EFEBRO COc1ccc(C)cc1C1(C[NH+]=C(N(C)C)N(C)C)CCOCC1 ZINC000225547439 295104236 /nfs/dbraw/zinc/10/42/36/295104236.db2.gz PCYOJIJGXWINLB-UHFFFAOYSA-N 1 0 333.476 2.531 40 30 EFEBRO CC[NH+]=C(NCc1c(C)noc1C)NC[C@H]1CCO[C@@H]1C(C)(C)C ZINC000095406337 473198982 /nfs/dbraw/zinc/19/89/82/473198982.db2.gz FARYDZNIZZEAAF-ZBFHGGJFSA-N 1 0 336.480 2.798 40 30 EFEBRO C[NH+]=C(NCCCOC[C@H]1CCOC1)NC1CC(c2ccccc2)C1 ZINC000081660147 473240189 /nfs/dbraw/zinc/24/01/89/473240189.db2.gz KCWLPLLAOPUITN-IPJUCJBFSA-N 1 0 345.487 2.541 40 30 EFEBRO N#Cc1cccc(N[C@@H]2CO[C@]3(CC[N@H+](Cc4cccs4)C3)C2)n1 ZINC000096047653 473269319 /nfs/dbraw/zinc/26/93/19/473269319.db2.gz GZTTUWWIPOZCAS-MAUKXSAKSA-N 1 0 340.452 2.860 40 30 EFEBRO N#Cc1ccc(N2C[C@@]3(CC[N@H+](Cc4cccnc4)C3)CC2=O)cc1 ZINC000096238839 473361210 /nfs/dbraw/zinc/36/12/10/473361210.db2.gz FCJXYTMYNKXCKD-FQEVSTJZSA-N 1 0 332.407 2.582 40 30 EFEBRO C=C(C)C[NH+]1CCC(NC(=O)NCCc2ccccc2OC)CC1 ZINC000096404526 473382074 /nfs/dbraw/zinc/38/20/74/473382074.db2.gz YDOCVHFYXCBFEY-UHFFFAOYSA-N 1 0 331.460 2.577 40 30 EFEBRO C=C1[C@@H]2CC[C@]3(CC[C@H]4[C@@]5(C=[N+](CCO)C[C@@]4(C)CCC5)[C@H]3C2)[C@H]1O ZINC000005493563 471509047 /nfs/dbraw/zinc/50/90/47/471509047.db2.gz RXGJFLXLQIECAN-NGEYSQDSSA-N 1 0 344.519 2.996 40 30 EFEBRO CCOC(=O)C=C(N)[NH2+]Nc1cc(Cl)c(Cl)cc1[N+](=O)[O-] ZINC000016682241 471948057 /nfs/dbraw/zinc/94/80/57/471948057.db2.gz ITENCRYXGCZDEU-UHFFFAOYSA-N 1 0 335.147 2.539 40 30 EFEBRO CCC(=O)OCOc1ccc(/C=C2/CC[C@@H](C[NH+](C)C)C2=O)cc1 ZINC000017198779 471958750 /nfs/dbraw/zinc/95/87/50/471958750.db2.gz SMDDTKYJMPEYDY-QZFKAFNDSA-N 1 0 331.412 2.900 40 30 EFEBRO CN(C)/C=N\c1ncc2c3ccccc3n(CC[NH+](C)C)c2c1C#N ZINC000036383739 472002220 /nfs/dbraw/zinc/00/22/20/472002220.db2.gz YITHKOBKHNYAFH-XKZIYDEJSA-N 1 0 334.427 2.844 40 30 EFEBRO C=C1[C@@H](O)[C@]23CC[C@H]1[C@H](O)[C@@H]2[C@@]12CCC[C@@]4(C)C[N@@H+](CC)[C@@H]1[C@@H]3C[C@@H]24 ZINC000085489089 472254592 /nfs/dbraw/zinc/25/45/92/472254592.db2.gz OVXLNQAYPUEDSI-LXPUUYNXSA-N 1 0 343.511 2.821 40 30 biogenic,in-vitro EFEBRO C[NH+](C)CCCN(CCC#N)C(=O)Nc1cc(F)c(F)c(F)c1 ZINC000086299072 472279909 /nfs/dbraw/zinc/27/99/09/472279909.db2.gz HXHLBGXCRGPDOT-UHFFFAOYSA-N 1 0 328.338 2.803 40 30 EFEBRO C[NH+]1CCN(CCCSc2nc3c(cc2C#N)CCCC3)CC1 ZINC000097098582 472444926 /nfs/dbraw/zinc/44/49/26/472444926.db2.gz YUKDFTCRDHJZBZ-UHFFFAOYSA-N 1 0 330.501 2.562 40 30 EFEBRO N#CCNC(=O)C[NH2+][C@@H]1CCC[C@@H]1c1ccccc1C(F)(F)F ZINC000097103552 472448819 /nfs/dbraw/zinc/44/88/19/472448819.db2.gz PHKOBHIQZSQFCZ-TZMCWYRMSA-N 1 0 325.334 2.571 40 30 EFEBRO COc1ccc([C@@H](CNC(=[NH2+])N(C)C2CC2)N2CCCCC2)cc1 ZINC000097371836 472492131 /nfs/dbraw/zinc/49/21/31/472492131.db2.gz GUUSCGSZPGGHSO-GOSISDBHSA-N 1 0 330.476 2.631 40 30 EFEBRO C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCCc3cc(OC)ccc32)CC1 ZINC000097380073 472495425 /nfs/dbraw/zinc/49/54/25/472495425.db2.gz FTXLTMXPUYMDLP-SFHVURJKSA-N 1 0 340.467 2.577 40 30 EFEBRO C=CCN(C)C(=O)N[C@H]1CC[N@H+](C2CC2)[C@@H]1c1cccc(OC)c1 ZINC000155746089 472606868 /nfs/dbraw/zinc/60/68/68/472606868.db2.gz OKUCZINNYBZCPM-ZWKOTPCHSA-N 1 0 329.444 2.800 40 30 EFEBRO N#Cc1cccc(C[N@@H+]2CC[C@H](c3nnc(-c4cccnc4)o3)C2)c1 ZINC000049169647 472934632 /nfs/dbraw/zinc/93/46/32/472934632.db2.gz LTWOHRXGGJGMRD-KRWDZBQOSA-N 1 0 331.379 2.993 40 30 biogenic,in-vitro EFEBRO N#Cc1cc(N2CCC[N@@H+](C3CCOCC3)CC2)c2ccccc2n1 ZINC000096429539 473408097 /nfs/dbraw/zinc/40/80/97/473408097.db2.gz IDWRWKGUEHQASO-UHFFFAOYSA-N 1 0 336.439 2.798 40 30 EFEBRO C=C(C)C[NH+]1CCC(NC(=O)NC[C@H](C)Oc2ccccc2F)CC1 ZINC000096439934 473418935 /nfs/dbraw/zinc/41/89/35/473418935.db2.gz DWQPDQYYNXREBA-HNNXBMFYSA-N 1 0 349.450 2.933 40 30 EFEBRO C=C(C)C[NH+]1CCC(NC(=O)N[C@@H]2CCO[C@H]2c2ccccc2)CC1 ZINC000096446995 473425129 /nfs/dbraw/zinc/42/51/29/473425129.db2.gz HPFBMPIYQMPANV-MOPGFXCFSA-N 1 0 343.471 2.856 40 30 EFEBRO Cc1cc(C)n(-c2ccc(CNC(=[NH2+])N(C)C)c(C(F)(F)F)c2)n1 ZINC000170911048 473644776 /nfs/dbraw/zinc/64/47/76/473644776.db2.gz NCAJRPGGFUKQRY-UHFFFAOYSA-N 1 0 339.365 2.884 40 30 EFEBRO Cc1nc(CN2CCC(CNC(=[NH2+])N3CCCCCC3)CC2)oc1C ZINC000195539991 474091627 /nfs/dbraw/zinc/09/16/27/474091627.db2.gz YBCHCCAKJWUFSS-UHFFFAOYSA-N 1 0 347.507 2.694 40 30 EFEBRO C#CCN(C)Cc1nc(C2(O)CC[NH+](CCC(C)C)CC2)cs1 ZINC000225469662 474215537 /nfs/dbraw/zinc/21/55/37/474215537.db2.gz OIRONTHASUQTSC-UHFFFAOYSA-N 1 0 335.517 2.538 40 30 biogenic,in-vitro EFEBRO C[C@H](c1cccc(C#N)c1)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000189973769 474524663 /nfs/dbraw/zinc/52/46/63/474524663.db2.gz MZQHSKBHMIRLQN-ZEDDUWKQSA-N 1 0 338.499 2.862 40 30 EFEBRO C=C1[C@@H](O)[C@]23C[C@H]1[C@H](O)C[C@H]2[C@@]12CCC[C@@]4(C)C[N@@H+](CC)[C@@H]1[C@@H]3C[C@@H]24 ZINC000252483770 474669802 /nfs/dbraw/zinc/66/98/02/474669802.db2.gz FIAOWYBSINDVNF-ILFPCFKHSA-N 1 0 343.511 2.821 40 30 biogenic,in-vitro EFEBRO COc1cc(Br)ccc1CCCNC(=[NH2+])N(C)C1CC1 ZINC000252485349 474671496 /nfs/dbraw/zinc/67/14/96/474671496.db2.gz GRVQPGHQFLFFJJ-UHFFFAOYSA-N 1 0 340.265 2.799 40 30 EFEBRO CN(C)C(=[NH2+])NC[C@H]1CCC[N@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000253432637 474757929 /nfs/dbraw/zinc/75/79/29/474757929.db2.gz MBIMAFRXHDOSRN-HIFRSBDPSA-N 1 0 342.409 2.965 40 30 EFEBRO CN(C)C(=[NH2+])NC[C@@H]1CCC[N@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000253432639 474758340 /nfs/dbraw/zinc/75/83/40/474758340.db2.gz MBIMAFRXHDOSRN-ZFWWWQNUSA-N 1 0 342.409 2.965 40 30 EFEBRO C=CCN1CC[C@@]2(C[N@H+](Cc3ccoc3)C[C@@H]2c2nccs2)C1=O ZINC000306132767 474810185 /nfs/dbraw/zinc/81/01/85/474810185.db2.gz LRSGBZSQQHJPOP-QAPCUYQASA-N 1 0 343.452 2.740 40 30 EFEBRO CC[NH+]=C(NCc1ccnc(C)n1)NCc1ccc(C)cc1OCC ZINC000157665060 520204081 /nfs/dbraw/zinc/20/40/81/520204081.db2.gz TVNLYIDIPMTFQA-UHFFFAOYSA-N 1 0 341.459 2.747 40 30 EFEBRO C=C(C)C[NH+]1CCC(NC(=O)N2CCO[C@@H](c3cccs3)C2)CC1 ZINC000159339879 526586835 /nfs/dbraw/zinc/58/68/35/526586835.db2.gz RZVAWZCVGDVMSA-MRXNPFEDSA-N 1 0 349.500 2.872 40 30 EFEBRO Cc1cccc2c1ncc(C#N)c2NC[C@@H](c1cnn(C)c1)[NH+](C)C ZINC000078290459 202390047 /nfs/dbraw/zinc/39/00/47/202390047.db2.gz JKQRBOJRRUEXJE-KRWDZBQOSA-N 1 0 334.427 2.863 40 30 EFEBRO C[NH+]=C(NCc1nccn1C)NCC1(c2ccccc2)CCCC1 ZINC000079349167 202429283 /nfs/dbraw/zinc/42/92/83/202429283.db2.gz BHEYUHRVRWYEAU-UHFFFAOYSA-N 1 0 325.460 2.597 40 30 EFEBRO C#CCOc1ccc(CN2C[C@H]3CCC[N@@H+]3C[C@@H]2C)cc1OCC ZINC000072324602 216151349 /nfs/dbraw/zinc/15/13/49/216151349.db2.gz WJPAOBOBAWJFKI-FUHWJXTLSA-N 1 0 328.456 2.766 40 30 EFEBRO C=CCNC(=O)[C@]1(Cc2ccccc2-c2ccsc2)C[NH2+]CCO1 ZINC000072389355 216189946 /nfs/dbraw/zinc/18/99/46/216189946.db2.gz PEQVLTGYXYOSGZ-IBGZPJMESA-N 1 0 342.464 2.618 40 30 EFEBRO COC(=O)C[N+]1(Cc2ccccc2)CCN(Cc2ccccc2)CC1 ZINC000004385794 201055910 /nfs/dbraw/zinc/05/59/10/201055910.db2.gz VSVPGJHVXYFRDH-UHFFFAOYSA-N 1 0 339.459 2.692 40 30 EFEBRO C=CCC(O)(CC=C)[C@H]1CCC[N@@H+]1Cc1ccnc(N2CCCC2)n1 ZINC000012240919 211328588 /nfs/dbraw/zinc/32/85/88/211328588.db2.gz WBJQAQQKUDHOLV-GOSISDBHSA-N 1 0 342.487 2.925 40 30 EFEBRO C=CCOc1c(Br)cc(C[NH2+][C@@H](CC)CO)cc1OC ZINC000008326266 210936650 /nfs/dbraw/zinc/93/66/50/210936650.db2.gz XWUYHDSTSIQLMJ-LBPRGKRZSA-N 1 0 344.249 2.883 40 30 EFEBRO Cc1ccc(C(=O)C[n+]2c3ccccc3n3c2SC[C@H](O)C3)cc1 ZINC000015961554 257857776 /nfs/dbraw/zinc/85/77/76/257857776.db2.gz QQYDDSPEEJGQBN-OAHLLOKOSA-N 1 0 339.440 2.587 40 30 EFEBRO C[C@@H](c1cccc(C#N)c1)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000189973747 287142046 /nfs/dbraw/zinc/14/20/46/287142046.db2.gz MZQHSKBHMIRLQN-XVSDAANHSA-N 1 0 338.499 2.862 40 30 EFEBRO CC[NH+]=C(NCc1c(C)noc1C)NC[C@@H]1CCO[C@@H]1C(C)(C)C ZINC000095406336 473198901 /nfs/dbraw/zinc/19/89/01/473198901.db2.gz FARYDZNIZZEAAF-HOCLYGCPSA-N 1 0 336.480 2.798 40 30 EFEBRO CC[NH+]=C(NCc1c(C)noc1C)NC[C@H]1CCO[C@H]1C(C)(C)C ZINC000095406339 473199134 /nfs/dbraw/zinc/19/91/34/473199134.db2.gz FARYDZNIZZEAAF-GDBMZVCRSA-N 1 0 336.480 2.798 40 30 EFEBRO N#Cc1cccc(N[C@H]2CO[C@@]3(C2)CCC[N@H+](Cc2ccoc2)C3)n1 ZINC000096048304 473272373 /nfs/dbraw/zinc/27/23/73/473272373.db2.gz MLLXNQVDFDOQNK-IEBWSBKVSA-N 1 0 338.411 2.782 40 30 EFEBRO N#Cc1cccc(N[C@H]2CO[C@@]3(C2)CCC[N@H+](Cc2ccncc2)C3)n1 ZINC000096048320 473272447 /nfs/dbraw/zinc/27/24/47/473272447.db2.gz ZNLYYYAVMFWZJG-UYAOXDASSA-N 1 0 349.438 2.584 40 30 EFEBRO CC(C)[N@H+](C)Cc1cncc2c1CCN(C(=O)c1cccc(C#N)c1)C2 ZINC000096189468 473331186 /nfs/dbraw/zinc/33/11/86/473331186.db2.gz XYWCEMVVDFJISF-UHFFFAOYSA-N 1 0 348.450 2.992 40 30 EFEBRO N#Cc1ccc(OC[C@H]2Cn3cncc3C[N@@H+](C3CCCC3)C2)nc1 ZINC000096209361 473345103 /nfs/dbraw/zinc/34/51/03/473345103.db2.gz LEIQTJAFURXSNG-MRXNPFEDSA-N 1 0 337.427 2.603 40 30 EFEBRO C=CC[N@H+]1CCC[C@@]12CCCN(S(=O)(=O)Cc1ccc(C)cc1)C2 ZINC000096214823 473346346 /nfs/dbraw/zinc/34/63/46/473346346.db2.gz YQDLQKHGLPBDGG-IBGZPJMESA-N 1 0 348.512 2.941 40 30 EFEBRO N#Cc1ccc(OC[C@]23COC[C@H]2C[N@H+](Cc2cccs2)C3)nc1 ZINC000096220237 473353834 /nfs/dbraw/zinc/35/38/34/473353834.db2.gz KOSNSMUVLKEGRN-QAPCUYQASA-N 1 0 341.436 2.542 40 30 EFEBRO C=C(C)C#C[C@@](O)(C(=O)O[C@H]1C[NH+]2CCC1CC2)C1CCCCC1 ZINC000001640754 471395011 /nfs/dbraw/zinc/39/50/11/471395011.db2.gz JMTZQKLHHPNCSG-ICSRJNTNSA-N 1 0 331.456 2.515 40 30 EFEBRO O=C(C[n+]1ccccc1-c1ccccn1)c1ccc2c(c1)OCCO2 ZINC000003193779 471435188 /nfs/dbraw/zinc/43/51/88/471435188.db2.gz VSRFTOSQAABHPE-UHFFFAOYSA-N 1 0 333.367 2.690 40 30 EFEBRO C[N@H+]1[C@@H]2CC[C@H]1CC(=NOC(=O)c1cncc(Br)c1)C2 ZINC000005319850 471498921 /nfs/dbraw/zinc/49/89/21/471498921.db2.gz UDOJXRNCHJZLRQ-BETUJISGSA-N 1 0 338.205 2.614 40 30 EFEBRO C=CCn1ncc(C[NH+]2CCC(O)(c3ccccc3OC)CC2)c1C ZINC000012330670 471771902 /nfs/dbraw/zinc/77/19/02/471771902.db2.gz OWOMFOUAWDEMMO-UHFFFAOYSA-N 1 0 341.455 2.870 40 30 EFEBRO C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](C[NH2+]CCc4c[nH]cn4)[C@H]3C[C@H]12 ZINC000012661715 471789286 /nfs/dbraw/zinc/78/92/86/471789286.db2.gz LIPXWZPIPQPEAZ-KWXDATOUSA-N 1 0 343.471 2.856 40 30 biogenic EFEBRO C[NH+]=C(NCC(C1CC1)C1CC1)NC1CCN(c2ccccn2)CC1 ZINC000086484279 472287546 /nfs/dbraw/zinc/28/75/46/472287546.db2.gz OJKOUIXDHDIOBA-UHFFFAOYSA-N 1 0 341.503 2.652 40 30 EFEBRO C[C@@H]([NH2+]CC#Cc1ccc(F)cc1)c1cccc(NS(C)(=O)=O)c1 ZINC000119025468 472519971 /nfs/dbraw/zinc/51/99/71/472519971.db2.gz AKZICPBEGWQUCS-CQSZACIVSA-N 1 0 346.427 2.900 40 30 EFEBRO [NH3+]C[C@@H](O)CC(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F ZINC000100237388 472526483 /nfs/dbraw/zinc/52/64/83/472526483.db2.gz PFCGKMUHBNXVEA-VKHMYHEASA-N 1 0 343.136 2.800 40 30 EFEBRO C=CCOC[C@H]1CC[C@H]2[C@H](CC[N@@H+]2Cc2ccc3c(c2)OCO3)O1 ZINC000107206384 472934130 /nfs/dbraw/zinc/93/41/30/472934130.db2.gz CWPIIGISBJXSNG-IKGGRYGDSA-N 1 0 331.412 2.740 40 30 EFEBRO C=CCOC[C@@]12CCCO[C@@H]1CC[N@@H+](Cc1cccnc1OC)C2 ZINC000107771358 472981322 /nfs/dbraw/zinc/98/13/22/472981322.db2.gz PBGGRZCRGTXFQM-MJGOQNOKSA-N 1 0 332.444 2.664 40 30 EFEBRO CC[NH+]=C(NCCc1ccccn1)NC[C@@H]1CCO[C@H]1C(C)(C)C ZINC000096447297 473424515 /nfs/dbraw/zinc/42/45/15/473424515.db2.gz HHUKQLYDFFPLHC-DOTOQJQBSA-N 1 0 332.492 2.630 40 30 EFEBRO C=C(C)C[NH+]1CCC(NC(=O)N[C@H]2CCO[C@H]2c2ccccc2)CC1 ZINC000096446996 473424582 /nfs/dbraw/zinc/42/45/82/473424582.db2.gz HPFBMPIYQMPANV-OALUTQOASA-N 1 0 343.471 2.856 40 30 EFEBRO C=C(C)C[NH+]1CCC(NC(=O)c2cccc(-c3n[nH]c(C)n3)c2)CC1 ZINC000096446784 473425140 /nfs/dbraw/zinc/42/51/40/473425140.db2.gz QJRXSXGBDYOXDD-UHFFFAOYSA-N 1 0 339.443 2.550 40 30 EFEBRO C=CCC[C@@H](O)C[N@@H+]1CCCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000096473571 473437056 /nfs/dbraw/zinc/43/70/56/473437056.db2.gz HSODLYXYIMKRLU-QGZVFWFLSA-N 1 0 336.863 2.815 40 30 EFEBRO CC(C)C(=O)N[C@@H]1CCC[N@H+](CCCOc2cccc(C#N)c2)C1 ZINC000096476114 473439253 /nfs/dbraw/zinc/43/92/53/473439253.db2.gz KIDOVRLGDIVXNT-QGZVFWFLSA-N 1 0 329.444 2.564 40 30 EFEBRO C[NH+]=C(NCCC1=CCOCC1)NCc1coc(-c2ccccc2)n1 ZINC000096484224 473443155 /nfs/dbraw/zinc/44/31/55/473443155.db2.gz ZVGQXFKSAQPNMQ-UHFFFAOYSA-N 1 0 340.427 2.743 40 30 EFEBRO C[C@H](NC(=O)N1CCC[C@H]2C[N@H+](C)CC[C@@H]21)c1ccc(C#N)cc1 ZINC000096497177 473451714 /nfs/dbraw/zinc/45/17/14/473451714.db2.gz VVHBBJCFOCYYGN-WBAXXEDZSA-N 1 0 326.444 2.745 40 30 EFEBRO C[C@@H]([NH2+][C@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1cncc(F)c1 ZINC000096500308 473451827 /nfs/dbraw/zinc/45/18/27/473451827.db2.gz AOQLAMMWIONZOD-ACJLOTCBSA-N 1 0 338.386 2.939 40 30 EFEBRO [NH2+]=C(NCCc1c[nH]c2ccc(F)cc12)Nc1ccc([N+](=O)[O-])cn1 ZINC000225235567 474205006 /nfs/dbraw/zinc/20/50/06/474205006.db2.gz DEOYYWVTOVELEF-UHFFFAOYSA-N 1 0 342.334 2.580 40 30 EFEBRO N#Cc1cccc(C(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)c1 ZINC000253417118 474743585 /nfs/dbraw/zinc/74/35/85/474743585.db2.gz RTVAKZNSTOLUPY-IBGZPJMESA-N 1 0 333.435 2.853 40 30 EFEBRO C=CCN1CC[C@]2(C[N@H+](Cc3ccoc3)C[C@@H]2c2nccs2)C1=O ZINC000306132765 474809710 /nfs/dbraw/zinc/80/97/10/474809710.db2.gz LRSGBZSQQHJPOP-CRAIPNDOSA-N 1 0 343.452 2.740 40 30 EFEBRO C=CCN1CC[C@]2(C[N@H+](Cc3ccco3)C[C@@H]2c2nccs2)C1=O ZINC000306132001 474810623 /nfs/dbraw/zinc/81/06/23/474810623.db2.gz KVLIIEJUUGHHAB-CRAIPNDOSA-N 1 0 343.452 2.740 40 30 EFEBRO Cc1cc(C)cc([C@@H](O)CNC(=O)NCc2nccn2CC(C)C)c1 ZINC000330031946 475187553 /nfs/dbraw/zinc/18/75/53/475187553.db2.gz GMPGTIZVSGSSTR-KRWDZBQOSA-N 1 0 344.459 2.893 40 30 EFEBRO COc1ccc(C2=NO[C@H](CNC(=O)C[N@@H+]3CCC[C@H]3C)C2)cc1F ZINC000330032866 475188494 /nfs/dbraw/zinc/18/84/94/475188494.db2.gz SMOPNJJEUASXKH-OCCSQVGLSA-N 1 0 349.406 2.768 40 30 EFEBRO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CCC2(CCOCC2)[C@@H]1C ZINC000375242873 476735662 /nfs/dbraw/zinc/73/56/62/476735662.db2.gz RJSHBEOWVAFLGM-HOTGVXAUSA-N 1 0 333.476 2.609 40 30 EFEBRO COCC[N@@H+]1CCC[C@]12CCCN(C(=O)c1ccccc1C#N)CC2 ZINC000585100674 479282370 /nfs/dbraw/zinc/28/23/70/479282370.db2.gz SGJYNWSBHZXXBW-FQEVSTJZSA-N 1 0 341.455 2.665 40 30 EFEBRO N#CCSCC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000155923746 526476418 /nfs/dbraw/zinc/47/64/18/526476418.db2.gz JJDCHBOHIAGWOA-MSOLQXFVSA-N 1 0 343.496 2.756 40 30 EFEBRO C[NH+]1CCN(c2ccc(NC(=O)c3ccnc(C4CC4)c3)nc2)CC1 ZINC000329350661 536422775 /nfs/dbraw/zinc/42/27/75/536422775.db2.gz WWPGFLGEFBEHMM-UHFFFAOYSA-N 1 0 337.427 2.742 40 30 EFEBRO C#CCOc1ccc(C[NH+]2CCC(c3[nH]nc4nccnc43)CC2)cc1 ZINC000072393760 216192906 /nfs/dbraw/zinc/19/29/06/216192906.db2.gz OQWCHFSIARUPKY-UHFFFAOYSA-N 1 0 347.422 2.745 40 30 EFEBRO CC(C)[N@H+](Cc1nnc(-c2cccc(C#N)c2)o1)C1CCOCC1 ZINC000072685554 216293434 /nfs/dbraw/zinc/29/34/34/216293434.db2.gz SKUDFUDFQNAKNT-UHFFFAOYSA-N 1 0 326.400 2.998 40 30 EFEBRO N#Cc1ccc(CNC(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000194010669 240399890 /nfs/dbraw/zinc/39/98/90/240399890.db2.gz BAALLNKOZGQEJF-FQEVSTJZSA-N 1 0 348.450 2.880 40 30 EFEBRO CC(=O)Nc1ccc(CC(=[NH2+])NOC(=O)c2ccccc2Cl)cc1 ZINC000226102686 242089524 /nfs/dbraw/zinc/08/95/24/242089524.db2.gz IAUBZSDEZRVNEN-UHFFFAOYSA-N 1 0 345.786 2.970 40 30 EFEBRO CN1CC[NH+](C[C@@H]2CCCN(c3c(Cl)cccc3C#N)C2)CC1 ZINC000095403190 218338766 /nfs/dbraw/zinc/33/87/66/218338766.db2.gz MKLNFFYXIZBCRV-HNNXBMFYSA-N 1 0 332.879 2.675 40 30 EFEBRO C[NH+](C)C1(C(=O)NC2CCC(Oc3ccccc3C#N)CC2)CCC1 ZINC000095418264 218357441 /nfs/dbraw/zinc/35/74/41/218357441.db2.gz LGAPIPITNHALLI-UHFFFAOYSA-N 1 0 341.455 2.849 40 30 EFEBRO C[NH+]=C(NCCc1ccc(OC(F)F)cc1)NCc1ncccc1C ZINC000096454937 257834397 /nfs/dbraw/zinc/83/43/97/257834397.db2.gz RGTKZRKETDIPFH-UHFFFAOYSA-N 1 0 348.397 2.899 40 30 EFEBRO C#C[C@H]1C[N@H+]2CC[C@H]1C[C@@H]2COC(=O)Nc1cc(OC)cc(OC)c1 ZINC000008300183 544422245 /nfs/dbraw/zinc/42/22/45/544422245.db2.gz YVEFWOUVVOXWEH-OFQRWUPVSA-N 1 0 344.411 2.596 40 30 biogenic,in-vitro EFEBRO Cc1cccc(C[N@@H+]2CC[C@@]3(CC(=O)N(c4cccc(C#N)c4)C3)C2)n1 ZINC000096077465 473291880 /nfs/dbraw/zinc/29/18/80/473291880.db2.gz RDIJLUADBKZMEB-OAQYLSRUSA-N 1 0 346.434 2.891 40 30 EFEBRO N#Cc1cccc(C[NH2+]C[C@@H]2Cn3nnc(-c4ccccc4)c3CO2)c1 ZINC000096199278 473336162 /nfs/dbraw/zinc/33/61/62/473336162.db2.gz VPYYNJWICUOVNS-GOSISDBHSA-N 1 0 345.406 2.505 40 30 EFEBRO C=CCN1C(=O)COC2(CC[NH+](Cc3ccc(C)s3)CC2)[C@@H]1C ZINC000096201540 473337344 /nfs/dbraw/zinc/33/73/44/473337344.db2.gz FTZIHNOOYPTRST-HNNXBMFYSA-N 1 0 334.485 2.824 40 30 EFEBRO N#Cc1cccc(N2C[C@]3(CC[N@H+](Cc4ccccn4)C3)CC2=O)c1 ZINC000096238882 473360565 /nfs/dbraw/zinc/36/05/65/473360565.db2.gz FONGJRHRZOMIBM-HXUWFJFHSA-N 1 0 332.407 2.582 40 30 EFEBRO C=C1CC[C@@]2(O)[C@@H]3Cc4ccc(O)c5c4[C@]2(CC[N@H+]3CC2CC2)[C@@H]1O5 ZINC000003831179 471455584 /nfs/dbraw/zinc/45/55/84/471455584.db2.gz WJBLNOPPDWQMCH-LLUDDFSJSA-N 1 0 339.435 2.513 40 30 in-vitro EFEBRO C=CCOc1c(Br)cc(CNCCC[NH2+]C)cc1OC ZINC000007525109 471619850 /nfs/dbraw/zinc/61/98/50/471619850.db2.gz XNAJEFLEUPSQLC-UHFFFAOYSA-N 1 0 343.265 2.722 40 30 EFEBRO C[N@H+](CCCO)C1CCN(c2cc(C#N)ccc2C(F)(F)F)CC1 ZINC000097096993 472444913 /nfs/dbraw/zinc/44/49/13/472444913.db2.gz UBJGQBVZTFAGFB-UHFFFAOYSA-N 1 0 341.377 2.860 40 30 EFEBRO N#Cc1cnc2ccccc2c1N1CC[NH+](CCCn2ccnc2)CC1 ZINC000096493057 473448860 /nfs/dbraw/zinc/44/88/60/473448860.db2.gz HDYFABXHHRNPSD-UHFFFAOYSA-N 1 0 346.438 2.515 40 30 EFEBRO C[C@@H]([NH2+][C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1cccc(O)c1 ZINC000194970168 473984466 /nfs/dbraw/zinc/98/44/66/473984466.db2.gz NTFOIENJTKGJIR-AUUYWEPGSA-N 1 0 335.407 2.716 40 30 EFEBRO C=CCOC(=O)c1cc(-n2cccc2)ccc1N1CC[NH+](C)CC1 ZINC000226278254 474240285 /nfs/dbraw/zinc/24/02/85/474240285.db2.gz UXWQZNRQLVIHCU-UHFFFAOYSA-N 1 0 325.412 2.572 40 30 EFEBRO C=CCN(C)C(=O)N[C@@H]1CC[N@H+](C2CC2)[C@H]1c1cccc(OC)c1 ZINC000249279553 474551748 /nfs/dbraw/zinc/55/17/48/474551748.db2.gz OKUCZINNYBZCPM-MSOLQXFVSA-N 1 0 329.444 2.800 40 30 EFEBRO N#CCSCC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000241126051 474553153 /nfs/dbraw/zinc/55/31/53/474553153.db2.gz JJDCHBOHIAGWOA-ZWKOTPCHSA-N 1 0 343.496 2.756 40 30 EFEBRO C=C(C)[C@H]1OCC[C@@H]1CNC(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000253426025 474750247 /nfs/dbraw/zinc/75/02/47/474750247.db2.gz FKLZDXWZWDHBTG-SJLPKXTDSA-N 1 0 335.492 2.628 40 30 EFEBRO C=CCCC(=O)N1CCC2(C[C@H](C[NH+]3CCC(F)(F)CC3)O2)CC1 ZINC000306135017 474809362 /nfs/dbraw/zinc/80/93/62/474809362.db2.gz OEYJWLLOHSZXIR-OAHLLOKOSA-N 1 0 342.430 2.834 40 30 EFEBRO COc1cc2c(c(OC)c1OC)CC[N@@H+]([C@@H]1CC[C@H](C#N)C1)CC2 ZINC000590162724 479611787 /nfs/dbraw/zinc/61/17/87/479611787.db2.gz NAKLOLHJFOJVJN-DZGCQCFKSA-N 1 0 330.428 2.805 40 30 EFEBRO C[NH+]=C(NCc1cc(C)no1)NCc1ccc(F)cc1CSC ZINC000154592177 518571043 /nfs/dbraw/zinc/57/10/43/518571043.db2.gz LWNAUNBPVLNBRU-UHFFFAOYSA-N 1 0 336.436 2.850 40 30 EFEBRO Cc1cc(N2CCC([NH2+]Cc3cc(C#N)cs3)CC2)nc(C)n1 ZINC000178615106 525056917 /nfs/dbraw/zinc/05/69/17/525056917.db2.gz QPFYHYZNTUEALC-UHFFFAOYSA-N 1 0 327.457 2.785 40 30 EFEBRO CS(=O)(=O)OCCCCCCCCCCC[NH+]1CCOCC1 ZINC000005519520 525227898 /nfs/dbraw/zinc/22/78/98/525227898.db2.gz VVIJYNRPAVUNET-UHFFFAOYSA-N 1 0 335.510 2.806 40 30 EFEBRO Cc1c(CCO)sc[n+]1CC(=O)O[C@H]1C[C@@H](C)CC[C@@H]1C(C)C ZINC000004750925 525701102 /nfs/dbraw/zinc/70/11/02/525701102.db2.gz PXEDQFWOBVMMCP-IMJJTQAJSA-N 1 0 340.509 2.883 40 30 EFEBRO C[NH+](C)C[C@@H](NC(=O)NCC1(CC#N)CC1)c1ccc(Cl)cc1 ZINC000252497154 535940525 /nfs/dbraw/zinc/94/05/25/535940525.db2.gz PZZWFBUENYGJQJ-OAHLLOKOSA-N 1 0 334.851 2.936 40 30 EFEBRO CCCCCCCCCC[NH2+]CCOCCOCCOCCO ZINC000100923925 219112265 /nfs/dbraw/zinc/11/22/65/219112265.db2.gz GGOGEKFDVDEZDX-UHFFFAOYSA-N 1 0 333.513 2.759 40 30 EFEBRO N#C[C@@H](NC(=O)CC1([NH+]2CCOCC2)CCCC1)c1ccccc1F ZINC000073336572 216379311 /nfs/dbraw/zinc/37/93/11/216379311.db2.gz UHMJPZDAXDDGKM-QGZVFWFLSA-N 1 0 345.418 2.542 40 30 EFEBRO C=CCNC(=O)CN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000022586029 212308923 /nfs/dbraw/zinc/30/89/23/212308923.db2.gz QHOIEGQNGGJUFY-UHFFFAOYSA-N 1 0 349.478 2.696 40 30 EFEBRO C[C@@H](CNC(=[NH2+])N(C)C1CC1)Oc1ccccc1Br ZINC000195559343 241009174 /nfs/dbraw/zinc/00/91/74/241009174.db2.gz DJYAZKBZJIZHPY-JTQLQIEISA-N 1 0 326.238 2.625 40 30 EFEBRO C[NH+](C)CC1CCC(NC(=O)NCCc2cccc(C#N)c2)CC1 ZINC000252495726 243810917 /nfs/dbraw/zinc/81/09/17/243810917.db2.gz OXVZZLQMNGTCDS-UHFFFAOYSA-N 1 0 328.460 2.520 40 30 EFEBRO N#Cc1ccnc(N2CCN(c3cc[nH+]c4cc(F)ccc43)CC2)c1 ZINC000079096580 217191614 /nfs/dbraw/zinc/19/16/14/217191614.db2.gz FKNRTAJKUDJYMB-UHFFFAOYSA-N 1 0 333.370 2.967 40 30 EFEBRO CCC[C@H](C(=O)N1CCC(Oc2ccc(C#N)cc2)CC1)[NH+](C)C ZINC000095449404 218394102 /nfs/dbraw/zinc/39/41/02/218394102.db2.gz FCTUFMYAMCHAQC-GOSISDBHSA-N 1 0 329.444 2.658 40 30 EFEBRO CCC[C@@H](C(=O)N1CCC(Oc2ccc(C#N)cc2)CC1)[NH+](C)C ZINC000095449403 218394150 /nfs/dbraw/zinc/39/41/50/218394150.db2.gz FCTUFMYAMCHAQC-SFHVURJKSA-N 1 0 329.444 2.658 40 30 EFEBRO N#CCC(=O)NCc1ccccc1C[NH+]1CCN(c2ccccc2)CC1 ZINC000097377956 219018919 /nfs/dbraw/zinc/01/89/19/219018919.db2.gz SZXFPMFJPBFYHT-UHFFFAOYSA-N 1 0 348.450 2.539 40 30 EFEBRO CC[NH+]=C(NCCc1cnn(C)c1)NC[C@@H](C)c1ccc(F)c(F)c1 ZINC000096450230 257834311 /nfs/dbraw/zinc/83/43/11/257834311.db2.gz LJLAVJSFOZWYPA-CYBMUJFWSA-N 1 0 349.429 2.600 40 30 EFEBRO COc1ccc(C(=O)/C=C\c2ccc(OCC(N)=[NH2+])cc2)cc1OC ZINC000104305836 295077050 /nfs/dbraw/zinc/07/70/50/295077050.db2.gz OJHRQGQGFMCKSK-UITAMQMPSA-N 1 0 340.379 2.915 40 30 EFEBRO C[NH+]=C(NCc1nccs1)N1CCO[C@H](c2ccccc2C)C1 ZINC000161725074 473256522 /nfs/dbraw/zinc/25/65/22/473256522.db2.gz YACHFOZLGPNTAL-HNNXBMFYSA-N 1 0 330.457 2.600 40 30 EFEBRO Cc1ccc(C[N@@H+]2CC[C@@]3(C[C@H](Nc4cccc(C#N)n4)CO3)C2)o1 ZINC000096047671 473270104 /nfs/dbraw/zinc/27/01/04/473270104.db2.gz LCBLSLAWGHGKLK-QFBILLFUSA-N 1 0 338.411 2.700 40 30 EFEBRO C=CC[N@@H+]1C[C@@H]2CN(Cc3ccco3)CCC[C@]2(C(=O)OCC)C1 ZINC000096055968 473278178 /nfs/dbraw/zinc/27/81/78/473278178.db2.gz YYOZCXBIGADONR-LPHOPBHVSA-N 1 0 332.444 2.543 40 30 EFEBRO C=CC[N@@H+]1C[C@@H]2CN(Cc3ccc(C)o3)CCC[C@]2(C(=O)OCC)C1 ZINC000096055974 473280814 /nfs/dbraw/zinc/28/08/14/473280814.db2.gz OGWMBNUWBOCFJO-PXNSSMCTSA-N 1 0 346.471 2.851 40 30 EFEBRO N#Cc1cccc(C[NH+]2CCC3(C[C@@H](c4ccncc4)C(=O)N3)CC2)c1 ZINC000096199542 473335667 /nfs/dbraw/zinc/33/56/67/473335667.db2.gz KZMZAOYXWNQBQM-IBGZPJMESA-N 1 0 346.434 2.592 40 30 EFEBRO C=CC[N@H+]1CCC[C@@]12CCCN(S(=O)(=O)c1ccccc1F)C2 ZINC000096214815 473347380 /nfs/dbraw/zinc/34/73/80/473347380.db2.gz RTIITZBJLHVBFN-KRWDZBQOSA-N 1 0 338.448 2.631 40 30 EFEBRO C=CC[N@H+]1CCC[C@]12CCCN(S(=O)(=O)c1ccc(F)cc1)C2 ZINC000096214814 473348013 /nfs/dbraw/zinc/34/80/13/473348013.db2.gz LXXUPICUWYCJHT-QGZVFWFLSA-N 1 0 338.448 2.631 40 30 EFEBRO N#Cc1cccc(C[N@@H+]2CC[C@]3(C2)CCCN(c2ncccn2)C3)c1 ZINC000096216854 473349830 /nfs/dbraw/zinc/34/98/30/473349830.db2.gz JYZFIAWWZZJQFG-FQEVSTJZSA-N 1 0 333.439 2.841 40 30 EFEBRO N#Cc1cccc(N[C@@H]2CO[C@@]3(C2)CCC[N@H+](Cc2ccco2)C3)n1 ZINC000096223051 473356166 /nfs/dbraw/zinc/35/61/66/473356166.db2.gz ZBVLANSVYBABPF-QFBILLFUSA-N 1 0 338.411 2.782 40 30 EFEBRO N#Cc1ccc(N2C[C@@]3(CC[N@H+](Cc4ccccn4)C3)CC2=O)cc1 ZINC000096238833 473360840 /nfs/dbraw/zinc/36/08/40/473360840.db2.gz LOGUQJHCAGOQSB-FQEVSTJZSA-N 1 0 332.407 2.582 40 30 EFEBRO CCOCCCNC(=O)C1CC[NH+]([C@H](C)c2ccc(C#N)cc2)CC1 ZINC000096411338 473390513 /nfs/dbraw/zinc/39/05/13/473390513.db2.gz PMUONXVTGPFDER-MRXNPFEDSA-N 1 0 343.471 2.874 40 30 EFEBRO C=C(C)C#C[C@](O)(C(=O)O[C@@H]1C[NH+]2CCC1CC2)C1CCCCC1 ZINC000001640755 471394601 /nfs/dbraw/zinc/39/46/01/471394601.db2.gz JMTZQKLHHPNCSG-UYAOXDASSA-N 1 0 331.456 2.515 40 30 EFEBRO C=C(C)C#C[C@](O)(C(=O)O[C@H]1C[NH+]2CCC1CC2)C1CCCCC1 ZINC000001640753 471394866 /nfs/dbraw/zinc/39/48/66/471394866.db2.gz JMTZQKLHHPNCSG-AZUAARDMSA-N 1 0 331.456 2.515 40 30 EFEBRO CC(C)C#C[C@](O)(C(=O)O[C@H]1C2CC[NH+](CC2)[C@@H]1C)C1CCCCC1 ZINC000005954668 471527168 /nfs/dbraw/zinc/52/71/68/471527168.db2.gz QAPPZPYLSRRINH-OZOXKJRCSA-N 1 0 347.499 2.983 40 30 EFEBRO C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](C[NH2+]CCc4c[nH]cn4)[C@H]3C[C@@H]12 ZINC000012661714 471788888 /nfs/dbraw/zinc/78/88/88/471788888.db2.gz LIPXWZPIPQPEAZ-ZMIKWESLSA-N 1 0 343.471 2.856 40 30 biogenic EFEBRO C/C(=N\NC(=S)N1CC[NH+](C2CCCCC2)CC1)c1ccccn1 ZINC000016942075 471952167 /nfs/dbraw/zinc/95/21/67/471952167.db2.gz XRNUKBNDPNWHJV-HMMYKYKNSA-N 1 0 345.516 2.630 40 30 EFEBRO COc1ccc(-c2cc(=O)[nH]c(NC(=[NH2+])Nc3ccccc3)n2)cc1 ZINC000017070595 471955385 /nfs/dbraw/zinc/95/53/85/471955385.db2.gz KXVPQCMYDHZIGR-UHFFFAOYSA-N 1 0 335.367 2.504 40 30 EFEBRO C=CCNC(=O)c1ccc(CN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000020241781 471988086 /nfs/dbraw/zinc/98/80/86/471988086.db2.gz AKAYDONMDREGFS-UHFFFAOYSA-N 1 0 349.478 2.920 40 30 EFEBRO Cc1cn2c(n1)CC[C@H]([NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1)C2 ZINC000097232515 472485407 /nfs/dbraw/zinc/48/54/07/472485407.db2.gz NKBUEGUAKYYMMP-SFHVURJKSA-N 1 0 346.438 2.568 40 30 EFEBRO C[C@H]([NH2+]CC#Cc1ccc(F)cc1)c1cccc(NS(C)(=O)=O)c1 ZINC000119025317 472520498 /nfs/dbraw/zinc/52/04/98/472520498.db2.gz AKZICPBEGWQUCS-AWEZNQCLSA-N 1 0 346.427 2.900 40 30 EFEBRO C[C@@H]1CCC[C@@](C#N)(NC(=O)c2cnn(CC[NH+]3CCCCC3)c2)C1 ZINC000073767043 472871158 /nfs/dbraw/zinc/87/11/58/472871158.db2.gz QFWXUUGWCMYZQL-VQIMIIECSA-N 1 0 343.475 2.571 40 30 EFEBRO N#Cc1cccc(N[C@H]2CO[C@@]3(C2)CCC[N@H+](Cc2ccccn2)C3)n1 ZINC000107730725 472978360 /nfs/dbraw/zinc/97/83/60/472978360.db2.gz LQDCYOSCNOXXFJ-UYAOXDASSA-N 1 0 349.438 2.584 40 30 EFEBRO C=CCO[C@@H](C)C(=O)Nc1ccc(N2CCC(C[NH+](C)C)CC2)cc1 ZINC000096413972 473392758 /nfs/dbraw/zinc/39/27/58/473392758.db2.gz BHGORJAIPIHLMX-INIZCTEOSA-N 1 0 345.487 2.994 40 30 EFEBRO CC(C)C[NH+]1CCC(NC(=O)NCc2cc(C#N)ccc2F)CC1 ZINC000096439166 473417494 /nfs/dbraw/zinc/41/74/94/473417494.db2.gz YYZVOOFJAAFBCI-UHFFFAOYSA-N 1 0 332.423 2.617 40 30 EFEBRO CCO[C@@H]1C[C@H]([NH2+]C2CCN(c3ccc(C#N)cn3)CC2)C1(C)C ZINC000096493387 473448787 /nfs/dbraw/zinc/44/87/87/473448787.db2.gz YSUPNIFPKXLKQB-DLBZAZTESA-N 1 0 328.460 2.715 40 30 EFEBRO COc1ccc(Oc2ccc(CNC(=[NH2+])N(C)C3CC3)cn2)cc1 ZINC000195559291 474096279 /nfs/dbraw/zinc/09/62/79/474096279.db2.gz VYCPBIREETVVQZ-UHFFFAOYSA-N 1 0 326.400 2.791 40 30 EFEBRO Cc1nc2c([nH]1)C[C@@H](C(=O)N1CCC(C#N)(c3ccccc3)CC1)CC2 ZINC000225521398 474220617 /nfs/dbraw/zinc/22/06/17/474220617.db2.gz QRFFXPKQLNOAFH-INIZCTEOSA-N 1 0 348.450 2.907 40 30 EFEBRO N#Cc1cccc(C(=O)NCC2CC[NH+]([C@H]3CCSC3)CC2)c1 ZINC000225567456 474225626 /nfs/dbraw/zinc/22/56/26/474225626.db2.gz HIQMOYMSYGRIGP-KRWDZBQOSA-N 1 0 329.469 2.506 40 30 EFEBRO CN(C)[C@H](CNC(=[NH2+])N(C)C1CC1)c1cccc(C(F)(F)F)c1 ZINC000183891269 474442409 /nfs/dbraw/zinc/44/24/09/474442409.db2.gz XXSSFUNMJPMGSW-CQSZACIVSA-N 1 0 328.382 2.717 40 30 EFEBRO C=CCc1cc(CN2C[C@@H](CC)O[C@]3(CCOC3)C2)cc(OC)c1O ZINC000240423788 474549080 /nfs/dbraw/zinc/54/90/80/474549080.db2.gz FQVBHLDZHJNYMA-YLJYHZDGSA-N 1 0 347.455 2.899 40 30 EFEBRO Cc1nsc(NCc2ccccc2C[NH+]2CCC(O)CC2)c1C#N ZINC000240912258 474551922 /nfs/dbraw/zinc/55/19/22/474551922.db2.gz IWWVSOPUAOQOKT-UHFFFAOYSA-N 1 0 342.468 2.892 40 30 EFEBRO N#C[C@@H]1CSCCN1C(=O)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000253418182 474744483 /nfs/dbraw/zinc/74/44/83/474744483.db2.gz VGBNEXLBAPXPEQ-NVXWUHKLSA-N 1 0 347.459 2.505 40 30 EFEBRO C[NH+]=C(NCc1cc(Br)ccc1OC(F)F)NC1CC1 ZINC000253420693 474748510 /nfs/dbraw/zinc/74/85/10/474748510.db2.gz VBBJCYUERHZRDL-UHFFFAOYSA-N 1 0 348.191 2.878 40 30 EFEBRO N#Cc1cc(N2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)ncn1 ZINC000310988125 474834664 /nfs/dbraw/zinc/83/46/64/474834664.db2.gz KVUDGMUMOLSLOG-UHFFFAOYSA-N 1 0 333.439 2.841 40 30 EFEBRO COCC[N@@H+]1CCC[C@@]12CCCN(C(=O)c1ccccc1C#N)CC2 ZINC000585100675 479283500 /nfs/dbraw/zinc/28/35/00/479283500.db2.gz SGJYNWSBHZXXBW-HXUWFJFHSA-N 1 0 341.455 2.665 40 30 EFEBRO C=CC[NH+]1CCC(NC(=O)Cc2ccc(Br)s2)CC1 ZINC000079310181 518860371 /nfs/dbraw/zinc/86/03/71/518860371.db2.gz KNHBIIFRMJPZSD-UHFFFAOYSA-N 1 0 343.290 2.820 40 30 EFEBRO CCCC#C[C@](O)(C(=O)O[C@H]1C[NH+]2CCC1CC2)C1CCCCC1 ZINC000001640763 519861319 /nfs/dbraw/zinc/86/13/19/519861319.db2.gz CZSCWCOOWBSDAG-AZUAARDMSA-N 1 0 333.472 2.739 40 30 EFEBRO CN1CCN(C[C@H]([NH2+]Cc2cccc(C#N)c2)c2ccccc2)CC1 ZINC000069171111 215367000 /nfs/dbraw/zinc/36/70/00/215367000.db2.gz ZLLVVNHZGYYCIP-NRFANRHFSA-N 1 0 334.467 2.637 40 30 EFEBRO C=CC[C@@]1(C(=O)OC)C(=O)C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(F)cc1 ZINC000072340215 216158590 /nfs/dbraw/zinc/15/85/90/216158590.db2.gz GMCXELCFTKXPRM-GJYPPUQNSA-N 1 0 331.387 2.867 40 30 EFEBRO C[C@H]([NH2+]C1(CNC(=O)C(C)(C)C#N)CCOCC1)c1ccccc1 ZINC000079096396 217191790 /nfs/dbraw/zinc/19/17/90/217191790.db2.gz UCFJKBNGHQFKBS-HNNXBMFYSA-N 1 0 329.444 2.552 40 30 EFEBRO C[C@@H]([NH2+]C1(CNC(=O)C(C)(C)C#N)CCOCC1)c1ccccc1 ZINC000079096397 217192202 /nfs/dbraw/zinc/19/22/02/217192202.db2.gz UCFJKBNGHQFKBS-OAHLLOKOSA-N 1 0 329.444 2.552 40 30 EFEBRO C=CCN1CC[C@]2(C[N@H+](Cc3ccco3)C[C@H]2c2nccs2)C1=O ZINC000306132002 257899948 /nfs/dbraw/zinc/89/99/48/257899948.db2.gz KVLIIEJUUGHHAB-MAUKXSAKSA-N 1 0 343.452 2.740 40 30 EFEBRO CC[NH+]1CCC2(CC1)C[C@@H](NC(=O)C1(C#N)CC1)c1ccccc1O2 ZINC000096093974 276360449 /nfs/dbraw/zinc/36/04/49/276360449.db2.gz YXXCMXZFAQNYRN-MRXNPFEDSA-N 1 0 339.439 2.785 40 30 EFEBRO N#Cc1cccc(N[C@@H]2CO[C@@]3(CC[N@H+](Cc4ccsc4)C3)C2)n1 ZINC000096047663 473268594 /nfs/dbraw/zinc/26/85/94/473268594.db2.gz USPBKFNLMRPHCN-WMZOPIPTSA-N 1 0 340.452 2.860 40 30 EFEBRO C=CC[N@@H+]1C[C@@H]2C[NH+](Cc3cccc(F)c3)CCC[C@]2(C(=O)[O-])C1 ZINC000096185192 473325596 /nfs/dbraw/zinc/32/55/96/473325596.db2.gz AXVFKTCKUKEXIC-LPHOPBHVSA-N 1 0 332.419 2.610 40 30 EFEBRO N#Cc1cccc(C[NH+]2CCC3(CC2)NC(=O)C[C@@H]3c2cccnc2)c1 ZINC000096199710 473335302 /nfs/dbraw/zinc/33/53/02/473335302.db2.gz UXBWOUJDTNCGBX-LJQANCHMSA-N 1 0 346.434 2.592 40 30 EFEBRO C=CCO[C@@H]1CC[N@@H+](Cc2ccc(OC)cc2)[C@H]1Cc1cnn(C)c1 ZINC000096200242 473335954 /nfs/dbraw/zinc/33/59/54/473335954.db2.gz WVPDYZTZCKBURT-VQTJNVASSA-N 1 0 341.455 2.817 40 30 EFEBRO C=CC[N@H+]1CCC[C@@]12CCCN(S(=O)(=O)c1ccc(C)cc1)C2 ZINC000096214807 473346221 /nfs/dbraw/zinc/34/62/21/473346221.db2.gz VYXJQAAUXVZXLO-SFHVURJKSA-N 1 0 334.485 2.800 40 30 EFEBRO C=CCn1c(NCC[NH+](CC)CC)nc2ccc(Cl)cc2c1=O ZINC000001555862 471394183 /nfs/dbraw/zinc/39/41/83/471394183.db2.gz YAKPYRZYRGSZGM-UHFFFAOYSA-N 1 0 334.851 2.990 40 30 EFEBRO COc1ccc(C(=O)[C@]2(C)N(O)[C@H](C)C(c3ccccc3)[N+]2=O)cc1 ZINC000007813394 471640391 /nfs/dbraw/zinc/64/03/91/471640391.db2.gz PKIIXIJXLRUQSM-BFUOFWGJSA-N 1 0 340.379 2.687 40 30 EFEBRO N#Cc1c(NC(=O)CC[NH+]2CCC(O)CC2)sc2c1CCCCC2 ZINC000016338378 471931568 /nfs/dbraw/zinc/93/15/68/471931568.db2.gz KWENCDDMYJPWGY-UHFFFAOYSA-N 1 0 347.484 2.674 40 30 EFEBRO C[C@@H](C(=O)Nc1ccccc1C#N)N1CCC([NH+]2CCCCC2)CC1 ZINC000026439386 472135647 /nfs/dbraw/zinc/13/56/47/472135647.db2.gz MQVCIRAGFHTVHT-INIZCTEOSA-N 1 0 340.471 2.836 40 30 EFEBRO CCC(CC)[C@H]1CCN(C(NCC2CCN(C(C)=O)CC2)=[NH+]C)C1 ZINC000086746253 472291760 /nfs/dbraw/zinc/29/17/60/472291760.db2.gz RRUSOSNEXPCVHJ-SFHVURJKSA-N 1 0 336.524 2.578 40 30 EFEBRO N#CCNC(=O)C[NH2+][C@H]1CCC[C@@H]1c1ccccc1C(F)(F)F ZINC000097103550 472448353 /nfs/dbraw/zinc/44/83/53/472448353.db2.gz PHKOBHIQZSQFCZ-OCCSQVGLSA-N 1 0 325.334 2.571 40 30 EFEBRO Cc1c([C@H](C)[NH2+]C[C@@H](O)c2ccncc2)cnn1-c1ccc(C#N)cc1 ZINC000097233944 472484594 /nfs/dbraw/zinc/48/45/94/472484594.db2.gz LTBONSGFEFCRHK-VBKZILBWSA-N 1 0 347.422 2.832 40 30 EFEBRO CCCCCCCCCCNC(=O)C[n+]1cccc(C(=O)NC)c1 ZINC000104131195 472657850 /nfs/dbraw/zinc/65/78/50/472657850.db2.gz MZIXTVQYESPAFS-UHFFFAOYSA-O 1 0 334.484 2.591 40 30 EFEBRO C[C@@H]1CCC[C@](C#N)(NC(=O)c2cnn(CC[NH+]3CCCCC3)c2)C1 ZINC000073767047 472870943 /nfs/dbraw/zinc/87/09/43/472870943.db2.gz QFWXUUGWCMYZQL-APWZRJJASA-N 1 0 343.475 2.571 40 30 EFEBRO N#Cc1cccc(C[N@H+]2CCC3(CC(NC(=O)c4ccncc4)C3)C2)c1 ZINC000108535342 473037422 /nfs/dbraw/zinc/03/74/22/473037422.db2.gz ICIUHMZJZMOYDN-UHFFFAOYSA-N 1 0 346.434 2.738 40 30 EFEBRO C[C@@H](C[NH2+][C@H](C(N)=O)c1ccc(C#N)cc1)Oc1ccccc1Cl ZINC000096437224 473416277 /nfs/dbraw/zinc/41/62/77/473416277.db2.gz MULXTTMCIGGDTL-SJCJKPOMSA-N 1 0 343.814 2.795 40 30 EFEBRO CN(CC[NH+](C)C)C(=O)NCc1cccc(-c2ccc(C#N)s2)c1 ZINC000096447358 473425716 /nfs/dbraw/zinc/42/57/16/473425716.db2.gz CPXKGPLPXJEKAV-UHFFFAOYSA-N 1 0 342.468 2.990 40 30 EFEBRO N#Cc1cc(N2CCC(C[NH+]3CCOCC3)CC2)nc2ccccc12 ZINC000096453504 473429600 /nfs/dbraw/zinc/42/96/00/473429600.db2.gz VMPKEELRLFKIAH-UHFFFAOYSA-N 1 0 336.439 2.655 40 30 EFEBRO C[NH+]=C(NC[C@H]1CCOC1)N(C)Cc1ccc(C(F)(F)F)cc1 ZINC000114086164 473439858 /nfs/dbraw/zinc/43/98/58/473439858.db2.gz YANLRUGRQRINBC-CYBMUJFWSA-N 1 0 329.366 2.749 40 30 EFEBRO C[NH+]=C(NCCc1ccncc1C)NCc1coc(-c2ccccc2)n1 ZINC000096484692 473443097 /nfs/dbraw/zinc/44/30/97/473443097.db2.gz WPFJDIPRKDQYDZ-UHFFFAOYSA-N 1 0 349.438 2.953 40 30 EFEBRO C[C@H]([NH2+][C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1cccc(O)c1 ZINC000194970184 473985740 /nfs/dbraw/zinc/98/57/40/473985740.db2.gz NTFOIENJTKGJIR-LIRRHRJNSA-N 1 0 335.407 2.716 40 30 EFEBRO C#CCOc1cc(F)ccc1NC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000195532190 474089741 /nfs/dbraw/zinc/08/97/41/474089741.db2.gz PUCDBPZJIGBIRC-CABCVRRESA-N 1 0 331.391 2.538 40 30 EFEBRO CCN1CC[NH+](C[C@@H](C)CNc2ccc3cc(C#N)ccc3n2)CC1 ZINC000195575064 474100104 /nfs/dbraw/zinc/10/01/04/474100104.db2.gz APWIBCMBXOVBTF-INIZCTEOSA-N 1 0 337.471 2.792 40 30 EFEBRO C[NH+]=C(NCCc1cccc(OC)c1)NCc1cc(C(C)C)no1 ZINC000225441535 474212367 /nfs/dbraw/zinc/21/23/67/474212367.db2.gz NUMGQIIAKPNNTR-UHFFFAOYSA-N 1 0 330.432 2.714 40 30 EFEBRO CC[NH+]1CCN(c2c(N)cc(C#N)n2Cc2ccc(Cl)cc2)CC1 ZINC000225869887 474237790 /nfs/dbraw/zinc/23/77/90/474237790.db2.gz HZMNOMWXEBZAMF-UHFFFAOYSA-N 1 0 343.862 2.786 40 30 EFEBRO C=CCN1CC[C@@]2(C[N@H+](Cc3ccco3)C[C@@H]2c2nccs2)C1=O ZINC000306132003 474809130 /nfs/dbraw/zinc/80/91/30/474809130.db2.gz KVLIIEJUUGHHAB-QAPCUYQASA-N 1 0 343.452 2.740 40 30 EFEBRO C=CCN1CC[C@@]2(C[N@H+](Cc3ccoc3)C[C@H]2c2nccs2)C1=O ZINC000306132768 474810563 /nfs/dbraw/zinc/81/05/63/474810563.db2.gz LRSGBZSQQHJPOP-YJBOKZPZSA-N 1 0 343.452 2.740 40 30 EFEBRO CO[C@@]1(C(=O)Nc2nc(CN3CCC[C@@H](C)C3)cs2)CCOC1 ZINC000330015773 475185205 /nfs/dbraw/zinc/18/52/05/475185205.db2.gz ONMVHWITQNSJSY-WBMJQRKESA-N 1 0 339.461 2.769 40 30 EFEBRO COc1ccc(C2=NO[C@H](CNC(=O)C[N@@H+]3CCC[C@@H]3C)C2)cc1F ZINC000330032865 475187464 /nfs/dbraw/zinc/18/74/64/475187464.db2.gz SMOPNJJEUASXKH-JSGCOSHPSA-N 1 0 349.406 2.768 40 30 EFEBRO O=C(Nc1cc(CSCCO)ccn1)C1CC[NH+](C2CC2)CC1 ZINC000330033139 475187844 /nfs/dbraw/zinc/18/78/44/475187844.db2.gz WNUDODMYQBMVMY-UHFFFAOYSA-N 1 0 335.473 2.770 40 30 EFEBRO CCc1nc(C#N)cc(N[C@H](c2nccn2C)c2cccc(OC)c2)n1 ZINC000585141511 479298701 /nfs/dbraw/zinc/29/87/01/479298701.db2.gz AWVSGAREFZJBKA-SFHVURJKSA-N 1 0 348.410 2.854 40 30 EFEBRO C=C(C)C[NH+]1CCN(Cc2c[nH]nc2-c2cccc(OC)c2)CC1 ZINC000022913438 518603588 /nfs/dbraw/zinc/60/35/88/518603588.db2.gz AWOOEXQSTMXIKX-UHFFFAOYSA-N 1 0 326.444 2.779 40 30 EFEBRO CC[NH+](CC)CCC[C@@H](C)NC(=S)N/N=C(\C)c1ccccn1 ZINC000006274529 520628313 /nfs/dbraw/zinc/62/83/13/520628313.db2.gz JDELQHHBOGXZLZ-DUHXBFFASA-N 1 0 335.521 2.780 40 30 EFEBRO C[NH+]1CCC(N(Cc2ccco2)C(=O)c2cc(C#N)cs2)CC1 ZINC000084074296 282697806 /nfs/dbraw/zinc/69/78/06/282697806.db2.gz WTWCBVLHXQSQTC-UHFFFAOYSA-N 1 0 329.425 2.949 40 30 EFEBRO C#CCOc1ccc(CN2C[C@@H]3CCC[N@@H+]3C[C@H]2C)cc1OCC ZINC000072324757 216151501 /nfs/dbraw/zinc/15/15/01/216151501.db2.gz WJPAOBOBAWJFKI-AEFFLSMTSA-N 1 0 328.456 2.766 40 30 EFEBRO C=CCNC(=O)[C@@]1(Cc2ccccc2-c2ccsc2)C[NH2+]CCO1 ZINC000072389356 216189115 /nfs/dbraw/zinc/18/91/15/216189115.db2.gz PEQVLTGYXYOSGZ-LJQANCHMSA-N 1 0 342.464 2.618 40 30 EFEBRO C=CCc1cc(C[NH+]2CCC(n3cncn3)CC2)cc(OC)c1O ZINC000092647794 203085276 /nfs/dbraw/zinc/08/52/76/203085276.db2.gz DVUDFTWZFKZFCJ-UHFFFAOYSA-N 1 0 328.416 2.558 40 30 EFEBRO N#Cc1cccc(C[NH+]2CCC3(CC2)NC(=O)C[C@H]3c2cccnc2)c1 ZINC000096199709 203862292 /nfs/dbraw/zinc/86/22/92/203862292.db2.gz UXBWOUJDTNCGBX-IBGZPJMESA-N 1 0 346.434 2.592 40 30 EFEBRO C=C(C)CNC(=O)N[C@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000119065914 221235655 /nfs/dbraw/zinc/23/56/55/221235655.db2.gz AJMQKFLERGCDKC-CQSZACIVSA-N 1 0 334.439 2.514 40 30 EFEBRO CN(C)C(=[NH2+])NC[C@@H](c1ccccc1)N1CCc2sccc2C1 ZINC000170903994 544863035 /nfs/dbraw/zinc/86/30/35/544863035.db2.gz OWFGGXDWHLCUMG-INIZCTEOSA-N 1 0 328.485 2.724 40 30 EFEBRO C#CC[NH+]1CCC(C(=O)N2CCSC[C@@H]2c2ccc(C)cc2)CC1 ZINC000096407399 275381781 /nfs/dbraw/zinc/38/17/81/275381781.db2.gz URSXLSMLXNNVNL-LJQANCHMSA-N 1 0 342.508 2.957 40 30 EFEBRO Cc1ccc(CC[NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)cn1 ZINC000097232497 323214013 /nfs/dbraw/zinc/21/40/13/323214013.db2.gz CFDOAOZTXGAGSN-UHFFFAOYSA-N 1 0 331.423 2.995 40 30 EFEBRO C=CCO[C@H]1CC[C@H]2[C@H]1OCC[N@H+]2CCc1ccc(OC)c(OC)c1 ZINC000096042043 473263900 /nfs/dbraw/zinc/26/39/00/473263900.db2.gz WDGSWCJDZIATIQ-XKGZKEIXSA-N 1 0 347.455 2.681 40 30 EFEBRO Cc1ccc(C[N@@H+]2CC[C@]3(C[C@H](Nc4cccc(C#N)n4)CO3)C2)o1 ZINC000096047670 473268414 /nfs/dbraw/zinc/26/84/14/473268414.db2.gz LCBLSLAWGHGKLK-LPHOPBHVSA-N 1 0 338.411 2.700 40 30 EFEBRO N#Cc1cccc(N[C@@H]2CO[C@@]3(CC[N@H+](Cc4cccs4)C3)C2)n1 ZINC000096047655 473269767 /nfs/dbraw/zinc/26/97/67/473269767.db2.gz GZTTUWWIPOZCAS-YJBOKZPZSA-N 1 0 340.452 2.860 40 30 EFEBRO N#Cc1cccc(N[C@@H]2CO[C@]3(C2)CCC[N@H+](Cc2ccoc2)C3)n1 ZINC000096048307 473272318 /nfs/dbraw/zinc/27/23/18/473272318.db2.gz MLLXNQVDFDOQNK-HKUYNNGSSA-N 1 0 338.411 2.782 40 30 EFEBRO C=CC[N@@H+]1C[C@@H]2CN(Cc3ccoc3)CCC[C@]2(C(=O)OCC)C1 ZINC000096055970 473281352 /nfs/dbraw/zinc/28/13/52/473281352.db2.gz HFKWWBJILSKYNI-HKUYNNGSSA-N 1 0 332.444 2.543 40 30 EFEBRO C=C(C)C[NH+]1CCC(NC(=O)Nc2ccccc2C(=O)N(C)C)CC1 ZINC000096404567 473381616 /nfs/dbraw/zinc/38/16/16/473381616.db2.gz ZKNWYIHYFISZPU-UHFFFAOYSA-N 1 0 344.459 2.550 40 30 EFEBRO C[NH+](C)CCOc1ccc(NC(=O)c2ccc(C#N)cn2)cc1Cl ZINC000096408498 473386462 /nfs/dbraw/zinc/38/64/62/473386462.db2.gz GGIDGWMCESNUCW-UHFFFAOYSA-N 1 0 344.802 2.799 40 30 EFEBRO C#CC[NH+]1CCC(C(=O)N[C@@H](C)[C@H](OC)c2ccc(Cl)cc2)CC1 ZINC000096412151 473391490 /nfs/dbraw/zinc/39/14/90/473391490.db2.gz JLCMBJMJYDSKTE-KSSFIOAISA-N 1 0 348.874 2.877 40 30 EFEBRO CCC(=O)OCOc1ccc(/C=C2\CC[C@H](C[NH+](C)C)C2=O)cc1 ZINC000001625856 471395333 /nfs/dbraw/zinc/39/53/33/471395333.db2.gz SMDDTKYJMPEYDY-RBFDBLARSA-N 1 0 331.412 2.900 40 30 EFEBRO C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](C[NH2+]CCc4c[nH]cn4)[C@H]3C[C@@H]12 ZINC000003984919 471456948 /nfs/dbraw/zinc/45/69/48/471456948.db2.gz LIPXWZPIPQPEAZ-BFMVXSJESA-N 1 0 343.471 2.856 40 30 biogenic EFEBRO C=CCOc1c(Br)cc(C[NH2+][C@H](CC)CO)cc1OC ZINC000008327010 471681141 /nfs/dbraw/zinc/68/11/41/471681141.db2.gz XWUYHDSTSIQLMJ-GFCCVEGCSA-N 1 0 344.249 2.883 40 30 EFEBRO C[C@H](Cn1cncn1)[NH2+]Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000067504732 472041669 /nfs/dbraw/zinc/04/16/69/472041669.db2.gz GSAKUQQRVPTAFI-MRXNPFEDSA-N 1 0 347.422 2.907 40 30 EFEBRO C[C@@H](Cn1cncn1)[NH2+]Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000067504731 472041710 /nfs/dbraw/zinc/04/17/10/472041710.db2.gz GSAKUQQRVPTAFI-INIZCTEOSA-N 1 0 347.422 2.907 40 30 EFEBRO Cc1nc(C)c(C(=O)NCC#CC[N@@H+](C)Cc2ccccc2)s1 ZINC000085470621 472252440 /nfs/dbraw/zinc/25/24/40/472252440.db2.gz LOMHRPFFWOSILO-UHFFFAOYSA-N 1 0 327.453 2.625 40 30 EFEBRO C#CC[NH+]1CCC(C(=O)Nc2ccc3c(c2)O[C@@](C)(CC)O3)CC1 ZINC000097104347 472448968 /nfs/dbraw/zinc/44/89/68/472448968.db2.gz XDJOFKGRHGZEDK-IBGZPJMESA-N 1 0 328.412 2.868 40 30 EFEBRO C=CCN(C)C(=O)N[C@@H](C)c1cc(F)ccc1N1CC[NH+](CC)CC1 ZINC000119066649 472523849 /nfs/dbraw/zinc/52/38/49/472523849.db2.gz QNTLFBHVRBDAFA-HNNXBMFYSA-N 1 0 348.466 2.856 40 30 EFEBRO Cc1c(C(=O)N(C)C2CC[NH+](C)CC2)oc2c1/C(=N\O)CC(C)(C)C2 ZINC000100931468 472529796 /nfs/dbraw/zinc/52/97/96/472529796.db2.gz UCSDTKMBPSUYEE-ZHZULCJRSA-N 1 0 347.459 2.905 40 30 EFEBRO CC(C)N(Cc1ccc(C#N)cc1)C(=O)C[N@H+](C)[C@@H]1CCSC1 ZINC000089937377 472553674 /nfs/dbraw/zinc/55/36/74/472553674.db2.gz DNLOHQOWSIMNNO-QGZVFWFLSA-N 1 0 331.485 2.733 40 30 EFEBRO N#CCSCC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000155923618 472641182 /nfs/dbraw/zinc/64/11/82/472641182.db2.gz JJDCHBOHIAGWOA-ROUUACIJSA-N 1 0 343.496 2.756 40 30 EFEBRO C[NH+]=C(NCCc1ccc(C(F)(F)F)cc1)NCc1cc(C)no1 ZINC000073763676 472871130 /nfs/dbraw/zinc/87/11/30/472871130.db2.gz CQFDAUFJGGUUOF-UHFFFAOYSA-N 1 0 340.349 2.910 40 30 EFEBRO CC(C)[NH+](CC#CCNC(=O)c1cc(-c2ccco2)on1)C(C)C ZINC000075164416 473144613 /nfs/dbraw/zinc/14/46/13/473144613.db2.gz AIOCBTJMKVLJGT-UHFFFAOYSA-N 1 0 329.400 2.787 40 30 EFEBRO C#CC[NH+]1CCC(C(=O)N[C@@H](C)[C@@H](OC)c2ccc(Cl)cc2)CC1 ZINC000096412153 473392356 /nfs/dbraw/zinc/39/23/56/473392356.db2.gz JLCMBJMJYDSKTE-KBXCAEBGSA-N 1 0 348.874 2.877 40 30 EFEBRO C#CC[NH+]1CCC(C(=O)N2c3ccccc3N(C)CC[C@@H]2C)CC1 ZINC000096425354 473404134 /nfs/dbraw/zinc/40/41/34/473404134.db2.gz UBFKFUMITCTDBO-INIZCTEOSA-N 1 0 325.456 2.593 40 30 EFEBRO C[NH+](C)CCn1ccc2ccc(NC(=O)c3ccc(C#N)cn3)cc21 ZINC000096443719 473420884 /nfs/dbraw/zinc/42/08/84/473420884.db2.gz IYTUBRVGSPYVAY-UHFFFAOYSA-N 1 0 333.395 2.722 40 30 EFEBRO CCO[C@@H]1C[C@@H]([NH2+]C2CCN(c3ccc(C#N)cn3)CC2)C1(C)C ZINC000096493389 473448909 /nfs/dbraw/zinc/44/89/09/473448909.db2.gz YSUPNIFPKXLKQB-IAGOWNOFSA-N 1 0 328.460 2.715 40 30 EFEBRO C[C@H](NC(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@@H]21)c1ccc(C#N)cc1 ZINC000096497179 473451906 /nfs/dbraw/zinc/45/19/06/473451906.db2.gz VVHBBJCFOCYYGN-QGTPRVQTSA-N 1 0 326.444 2.745 40 30 EFEBRO COc1ccc([C@H](C[NH2+][C@@H]2CCC[C@H](C#N)C2)N2CCOCC2)cc1 ZINC000185757628 473505963 /nfs/dbraw/zinc/50/59/63/473505963.db2.gz ZGINJGQDPRBLHO-HQRMLTQVSA-N 1 0 343.471 2.740 40 30 EFEBRO CCC[NH+]=C(NCCc1cccs1)NCc1nc(C2CC2)no1 ZINC000195534524 474090857 /nfs/dbraw/zinc/09/08/57/474090857.db2.gz UYZKWBIUJMSKNR-UHFFFAOYSA-N 1 0 333.461 2.696 40 30 EFEBRO CN(C(=[NH2+])NCC1(c2ccc3c(c2)OCCO3)CCCC1)C1CC1 ZINC000195559278 474096645 /nfs/dbraw/zinc/09/66/45/474096645.db2.gz YVYOXZHZAFKKFW-UHFFFAOYSA-N 1 0 329.444 2.679 40 30 EFEBRO C[N@@H+]1CC[C@H](COCC2CC2)CC12CN(Cc1ccccc1C#N)C2 ZINC000248135974 474265603 /nfs/dbraw/zinc/26/56/03/474265603.db2.gz OPJLLTWOMAWALC-SFHVURJKSA-N 1 0 339.483 2.881 40 30 EFEBRO COc1ccc([C@H](C[NH2+][C@H]2CCC[C@@H](C#N)C2)N2CCOCC2)cc1 ZINC000248945896 474489339 /nfs/dbraw/zinc/48/93/39/474489339.db2.gz ZGINJGQDPRBLHO-KPFFTGBYSA-N 1 0 343.471 2.740 40 30 EFEBRO C#C[C@H](NC(=O)NCc1ccc(OC2CC[NH+](C)CC2)cc1)C(C)C ZINC000242106191 474558630 /nfs/dbraw/zinc/55/86/30/474558630.db2.gz WHTOVDMFFIZXOY-IBGZPJMESA-N 1 0 343.471 2.617 40 30 EFEBRO N#Cc1cccc(C(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)c1 ZINC000253417120 474743039 /nfs/dbraw/zinc/74/30/39/474743039.db2.gz RTVAKZNSTOLUPY-LJQANCHMSA-N 1 0 333.435 2.853 40 30 EFEBRO N#C[C@H]1CSCCN1C(=O)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000253418192 474744802 /nfs/dbraw/zinc/74/48/02/474744802.db2.gz VGBNEXLBAPXPEQ-WBVHZDCISA-N 1 0 347.459 2.505 40 30 EFEBRO Cc1cc(C)cc([C@H](O)CNC(=O)NCc2nccn2CC(C)C)c1 ZINC000330031947 475187946 /nfs/dbraw/zinc/18/79/46/475187946.db2.gz GMPGTIZVSGSSTR-QGZVFWFLSA-N 1 0 344.459 2.893 40 30 EFEBRO COc1cc2c(c(OC)c1OC)CC[N@@H+]([C@H]1CC[C@@H](C#N)C1)CC2 ZINC000590162725 479612814 /nfs/dbraw/zinc/61/28/14/479612814.db2.gz NAKLOLHJFOJVJN-HIFRSBDPSA-N 1 0 330.428 2.805 40 30 EFEBRO CC[NH+]=C(NCc1c(C)noc1C)N(C)Cc1cn(C)nc1C(C)C ZINC000097229964 520205073 /nfs/dbraw/zinc/20/50/73/520205073.db2.gz SUTCALGGKUPLNW-UHFFFAOYSA-N 1 0 346.479 2.746 40 30 EFEBRO CCn1nncc1C(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000328832820 535921220 /nfs/dbraw/zinc/92/12/20/535921220.db2.gz KWOLJEDHOYYRNU-SWLSCSKDSA-N 1 0 333.461 2.747 40 30 EFEBRO C=CCNC(=O)C[NH+]1CCC(Cn2cnc3cc(C)c(C)cc32)CC1 ZINC000038488547 213210341 /nfs/dbraw/zinc/21/03/41/213210341.db2.gz GLRFSTYPTJIFDY-UHFFFAOYSA-N 1 0 340.471 2.667 40 30 EFEBRO C#CCOc1ccc(CN2C[C@H]3CCC[N@@H+]3C[C@H]2C)cc1OCC ZINC000072324758 216150989 /nfs/dbraw/zinc/15/09/89/216150989.db2.gz WJPAOBOBAWJFKI-SJLPKXTDSA-N 1 0 328.456 2.766 40 30 EFEBRO C=C(C)C[NH+]1CCN(Cc2cnc(-c3ccc(OC)cc3)nc2)CC1 ZINC000022916151 212335041 /nfs/dbraw/zinc/33/50/41/212335041.db2.gz OKQZYWWMEYDHSB-UHFFFAOYSA-N 1 0 338.455 2.846 40 30 EFEBRO CC[NH+](CC)[C@H](CNC(=O)c1cc(C#N)ccn1)c1ccsc1 ZINC000225800613 242041164 /nfs/dbraw/zinc/04/11/64/242041164.db2.gz JDYIZUDSDOIWLR-MRXNPFEDSA-N 1 0 328.441 2.828 40 30 EFEBRO N#Cc1cccc(CCNC(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)c1 ZINC000253430108 243980897 /nfs/dbraw/zinc/98/08/97/243980897.db2.gz HXDBYZDKUGAGFT-LJQANCHMSA-N 1 0 340.471 2.761 40 30 EFEBRO C[C@H]([NH2+]C1(CNc2nccnc2C#N)CCOCC1)c1ccccc1 ZINC000079097152 217192041 /nfs/dbraw/zinc/19/20/41/217192041.db2.gz JMCLALGUCJFAPF-HNNXBMFYSA-N 1 0 337.427 2.660 40 30 EFEBRO C[NH+]=C(NCCC1=CCOCC1)N[C@@H]1C[C@@H](C)N(c2ccccc2)C1 ZINC000096484222 218860030 /nfs/dbraw/zinc/86/00/30/218860030.db2.gz KNSNUABLUXWLPB-SJLPKXTDSA-N 1 0 342.487 2.556 40 30 EFEBRO N#Cc1ccc(CNc2cccc(C[NH+]3CCC(C(N)=O)CC3)c2)cc1 ZINC000122710663 222142722 /nfs/dbraw/zinc/14/27/22/222142722.db2.gz HUXUHUICLDGKNC-UHFFFAOYSA-N 1 0 348.450 2.868 40 30 EFEBRO Cn1cc(C[NH2+]Cc2ccccc2CO)c(-c2ccc(C#N)cc2)n1 ZINC000195552840 323529020 /nfs/dbraw/zinc/52/90/20/323529020.db2.gz CVSTXKCLBKNHOU-UHFFFAOYSA-N 1 0 332.407 2.741 40 30 EFEBRO N#Cc1cccc(N[C@H]2CO[C@]3(CC[N@H+](Cc4cccs4)C3)C2)n1 ZINC000096047652 473269831 /nfs/dbraw/zinc/26/98/31/473269831.db2.gz GZTTUWWIPOZCAS-CRAIPNDOSA-N 1 0 340.452 2.860 40 30 EFEBRO N#Cc1cccc(N[C@H]2CO[C@]3(C2)CCC[N@H+](Cc2ccncc2)C3)n1 ZINC000096048322 473272089 /nfs/dbraw/zinc/27/20/89/473272089.db2.gz ZNLYYYAVMFWZJG-QUCCMNQESA-N 1 0 349.438 2.584 40 30 EFEBRO N#Cc1ccc(N2C[C@@]3(CC[N@H+](Cc4ccncc4)C3)CC2=O)cc1 ZINC000096238841 473360814 /nfs/dbraw/zinc/36/08/14/473360814.db2.gz LQDOHPDOPCKZQT-FQEVSTJZSA-N 1 0 332.407 2.582 40 30 EFEBRO CC[N+]1(CC(=O)c2ccccc2)CCO[C@@](O)(c2ccccc2)C1 ZINC000001668051 471395381 /nfs/dbraw/zinc/39/53/81/471395381.db2.gz SHIQEJHMCRIJHH-VQCQRNETSA-N 1 0 326.416 2.582 40 30 EFEBRO O/N=C1\CCC=CCC[C@@H]1[NH+]1CCN(c2ccc3c(c2)OCO3)CC1 ZINC000018167553 471971683 /nfs/dbraw/zinc/97/16/83/471971683.db2.gz JTABKOZBAZMABZ-PBDWWKMTSA-N 1 0 343.427 2.866 40 30 EFEBRO CCc1nnc(NC(=O)CN2CC[NH+](C3CCCCC3)CC2)s1 ZINC000019367749 471979859 /nfs/dbraw/zinc/97/98/59/471979859.db2.gz AVSRYHBUUISSMY-UHFFFAOYSA-N 1 0 337.493 2.639 40 30 EFEBRO C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](C[NH+]4CCN(C)CC4)[C@H]3C[C@@H]12 ZINC000019703407 471983142 /nfs/dbraw/zinc/98/31/42/471983142.db2.gz LLAWFIRDWMEMEQ-ZMIKWESLSA-N 1 0 332.488 2.548 40 30 biogenic EFEBRO C[C@H](C(=O)Nc1ccccc1C#N)N1CCC([NH+]2CCCCC2)CC1 ZINC000026439382 472136021 /nfs/dbraw/zinc/13/60/21/472136021.db2.gz MQVCIRAGFHTVHT-MRXNPFEDSA-N 1 0 340.471 2.836 40 30 EFEBRO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CCC[C@@H]1C[C@H](O)c1ccccc1 ZINC000076108326 472274690 /nfs/dbraw/zinc/27/46/90/472274690.db2.gz ONXQAFOXRPXIEX-HBFSDRIKSA-N 1 0 343.471 2.629 40 30 EFEBRO COc1cc(CN2CC[C@@H]([NH2+]Cc3ccc(C#N)o3)C2)cc(OC)c1 ZINC000088755855 472382624 /nfs/dbraw/zinc/38/26/24/472382624.db2.gz ZMICJZBYBIAAKI-OAHLLOKOSA-N 1 0 341.411 2.533 40 30 EFEBRO O=S1(=O)C[C@@H]([NH+]2CCCCC2)C2=C(O1)c1ccccc1SC2 ZINC000031750899 472392116 /nfs/dbraw/zinc/39/21/16/472392116.db2.gz WNHLTMYNRXPXAT-CQSZACIVSA-N 1 0 337.466 2.718 40 30 EFEBRO C[C@@H]1CCCN(C(=[NH2+])NCc2ccc(COC3CCOCC3)cc2)C1 ZINC000130636995 472619453 /nfs/dbraw/zinc/61/94/53/472619453.db2.gz OQTABCUYWRKOFY-MRXNPFEDSA-N 1 0 345.487 2.929 40 30 EFEBRO C=CCOC[C@@H]1CC[C@H]2[C@H](CC[N@@H+]2Cc2ccc3c(c2)OCO3)O1 ZINC000107204911 472933254 /nfs/dbraw/zinc/93/32/54/472933254.db2.gz CWPIIGISBJXSNG-ULQDDVLXSA-N 1 0 331.412 2.740 40 30 EFEBRO C=CCOC[C@H]1C[C@@H]2[C@H](C1)OCCN2Cc1ccc2c(c1)OCO2 ZINC000107804330 472982434 /nfs/dbraw/zinc/98/24/34/472982434.db2.gz WZSSLRDHKPLYIB-JZXOWHBKSA-N 1 0 331.412 2.597 40 30 EFEBRO CC[NH+]=C(NCc1nc(C)no1)NC[C@@H](C)c1ccc(F)c(F)c1 ZINC000096450228 473427071 /nfs/dbraw/zinc/42/70/71/473427071.db2.gz RLNXWWAILNAHBI-SNVBAGLBSA-N 1 0 337.374 2.515 40 30 EFEBRO C[C@@H]([NH2+]CCc1ccc(S(C)(=O)=O)cc1)c1cccc(C#N)c1 ZINC000195550632 474094108 /nfs/dbraw/zinc/09/41/08/474094108.db2.gz LCPAWMZYEPHCCO-CQSZACIVSA-N 1 0 328.437 2.855 40 30 EFEBRO CCN1CC[NH+](C[C@H](C)CNc2ccc3cc(C#N)ccc3n2)CC1 ZINC000195575065 474100496 /nfs/dbraw/zinc/10/04/96/474100496.db2.gz APWIBCMBXOVBTF-MRXNPFEDSA-N 1 0 337.471 2.792 40 30 EFEBRO C[C@@H](NC(=[NH2+])NCCc1ccnn1C)c1ccc(Cl)cc1Cl ZINC000225602240 474228657 /nfs/dbraw/zinc/22/86/57/474228657.db2.gz WGXNJGZGYHTROF-SNVBAGLBSA-N 1 0 340.258 2.935 40 30 EFEBRO C=CCc1cc(CN2C[C@@H](CC)O[C@@]3(CCOC3)C2)cc(OC)c1O ZINC000240423787 474549388 /nfs/dbraw/zinc/54/93/88/474549388.db2.gz FQVBHLDZHJNYMA-XLIONFOSSA-N 1 0 347.455 2.899 40 30 EFEBRO C=CCNC(=O)C[NH2+][C@H]1CCN(CC)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000252509155 474687169 /nfs/dbraw/zinc/68/71/69/474687169.db2.gz YDKJVXDPZAHERS-DOTOQJQBSA-N 1 0 339.842 2.506 40 30 EFEBRO N#C[C@H]1CSCCN1C(=O)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000253418189 474744253 /nfs/dbraw/zinc/74/42/53/474744253.db2.gz VGBNEXLBAPXPEQ-RDJZCZTQSA-N 1 0 347.459 2.505 40 30 EFEBRO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000253426016 474750071 /nfs/dbraw/zinc/75/00/71/474750071.db2.gz FKLZDXWZWDHBTG-AEFFLSMTSA-N 1 0 335.492 2.628 40 30 EFEBRO CN(C)C(=[NH2+])NC[C@@H]1CCC[N@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000253432636 474757967 /nfs/dbraw/zinc/75/79/67/474757967.db2.gz MBIMAFRXHDOSRN-DZGCQCFKSA-N 1 0 342.409 2.965 40 30 EFEBRO C[NH+]=C(NCCCn1cc(C)cn1)N[C@H](C)c1ccccc1OC ZINC000096406094 518571058 /nfs/dbraw/zinc/57/10/58/518571058.db2.gz UXDLGJZDHZIWTC-OAHLLOKOSA-N 1 0 329.448 2.516 40 30 EFEBRO CC[NH+]=C(NCc1noc(C)n1)NCc1ccccc1OC(C)(C)C ZINC000085859249 520203579 /nfs/dbraw/zinc/20/35/79/520203579.db2.gz QSKNVTMMNDMSJI-UHFFFAOYSA-N 1 0 345.447 2.811 40 30 EFEBRO C=C(C)C[NH+]1CCC(NC(=O)N2CCO[C@H](c3cccs3)C2)CC1 ZINC000159339732 526586212 /nfs/dbraw/zinc/58/62/12/526586212.db2.gz RZVAWZCVGDVMSA-INIZCTEOSA-N 1 0 349.500 2.872 40 30 EFEBRO C=CC[C@]1(C(=O)OC)C(=O)C[C@@H]2CC[C@H]1[N@H+]2Cc1cccc(OC)c1 ZINC000072340216 216158527 /nfs/dbraw/zinc/15/85/27/216158527.db2.gz CGIDQQOEELFCCF-XAUMDUMWSA-N 1 0 343.423 2.737 40 30 EFEBRO C=CCn1cc(CN2C[C@@H]3CCC[N@H+]3C[C@H]2CCSC)c(C)n1 ZINC000019552337 212041596 /nfs/dbraw/zinc/04/15/96/212041596.db2.gz OSUHMXPDIOQWOQ-ZWKOTPCHSA-N 1 0 334.533 2.779 40 30 EFEBRO C#CC[NH+]1CCC(C(=O)NC[C@@H](C)Oc2ccccc2Cl)CC1 ZINC000078226687 217031046 /nfs/dbraw/zinc/03/10/46/217031046.db2.gz GGNBSQUTEALWAP-CQSZACIVSA-N 1 0 334.847 2.569 40 30 EFEBRO Cc1cccc2c1ncc(C#N)c2NC[C@H](c1cnn(C)c1)[NH+](C)C ZINC000078290462 217038581 /nfs/dbraw/zinc/03/85/81/217038581.db2.gz JKQRBOJRRUEXJE-QGZVFWFLSA-N 1 0 334.427 2.863 40 30 EFEBRO Cc1ccc(NS(=O)(=O)c2cccc(C#N)c2)c(C[NH+](C)C)c1 ZINC000079306284 217206437 /nfs/dbraw/zinc/20/64/37/217206437.db2.gz XHEAHHJBJGVPQI-UHFFFAOYSA-N 1 0 329.425 2.729 40 30 EFEBRO COc1cc(CN2CC[C@H]([NH2+]Cc3ccc(C#N)o3)C2)cc(OC)c1 ZINC000088755854 217766600 /nfs/dbraw/zinc/76/66/00/217766600.db2.gz ZMICJZBYBIAAKI-HNNXBMFYSA-N 1 0 341.411 2.533 40 30 EFEBRO C#CC1(OC[C@H](O)C[NH+]2C(C)(C)CC(O)CC2(C)C)CCCCC1 ZINC000012419877 211375324 /nfs/dbraw/zinc/37/53/24/211375324.db2.gz BVBWXWSNQXQSIC-QGZVFWFLSA-N 1 0 337.504 2.714 40 30 EFEBRO C#CC1(OC[C@@H](O)C[NH+]2C(C)(C)CC(O)CC2(C)C)CCCCC1 ZINC000012419878 211374755 /nfs/dbraw/zinc/37/47/55/211374755.db2.gz BVBWXWSNQXQSIC-KRWDZBQOSA-N 1 0 337.504 2.714 40 30 EFEBRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(O)cc1F ZINC000097232809 219001467 /nfs/dbraw/zinc/00/14/67/219001467.db2.gz BAFJKDGRJFXNSF-UHFFFAOYSA-N 1 0 341.386 2.607 40 30 EFEBRO N#Cc1cccc(C[NH2+][C@H]2CCc3nc(N4CCCC4)ncc3C2)c1 ZINC000306124408 270026326 /nfs/dbraw/zinc/02/63/26/270026326.db2.gz BPCWFHUZRSLOTM-SFHVURJKSA-N 1 0 333.439 2.596 40 30 EFEBRO C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)C[NH3+] ZINC000006067495 280177399 /nfs/dbraw/zinc/17/73/99/280177399.db2.gz RXFLLQMQEWZRSO-OBQKJFGGSA-N 1 0 345.483 2.777 40 30 EFEBRO N#Cc1cccc(N[C@@H]2CO[C@@]3(C2)CCC[N@H+](Cc2cccnc2)C3)n1 ZINC000096048317 473270615 /nfs/dbraw/zinc/27/06/15/473270615.db2.gz WXLMDHRJKZPTAJ-AZUAARDMSA-N 1 0 349.438 2.584 40 30 EFEBRO N#Cc1cccc(N[C@@H]2CO[C@@]3(C2)CCC[N@H+](Cc2ccccn2)C3)n1 ZINC000096048315 473272411 /nfs/dbraw/zinc/27/24/11/473272411.db2.gz LQDCYOSCNOXXFJ-AZUAARDMSA-N 1 0 349.438 2.584 40 30 EFEBRO C=CCOC[C@]12CCCO[C@@H]1CC[N@@H+](Cc1cccnc1OC)C2 ZINC000096065026 473287759 /nfs/dbraw/zinc/28/77/59/473287759.db2.gz PBGGRZCRGTXFQM-IEBWSBKVSA-N 1 0 332.444 2.664 40 30 EFEBRO N#Cc1ccc(OC[C@]23COC[C@H]2C[N@H+](Cc2ccsc2)C3)nc1 ZINC000096109093 473301850 /nfs/dbraw/zinc/30/18/50/473301850.db2.gz WCUYVQYWAMBWAZ-AEFFLSMTSA-N 1 0 341.436 2.542 40 30 EFEBRO N#Cc1cccc(C[NH+]2CCC3(C[C@H](c4ccncc4)C(=O)N3)CC2)c1 ZINC000096199541 473335773 /nfs/dbraw/zinc/33/57/73/473335773.db2.gz KZMZAOYXWNQBQM-LJQANCHMSA-N 1 0 346.434 2.592 40 30 EFEBRO C=CC[N@H+]1CCC[C@]12CCCN(S(=O)(=O)Cc1ccc(C)cc1)C2 ZINC000096214821 473347077 /nfs/dbraw/zinc/34/70/77/473347077.db2.gz YQDLQKHGLPBDGG-LJQANCHMSA-N 1 0 348.512 2.941 40 30 EFEBRO N#Cc1cccc(C[N@@H+]2CC[C@@]3(C2)CCCN(c2ncccn2)C3)c1 ZINC000096216851 473349552 /nfs/dbraw/zinc/34/95/52/473349552.db2.gz JYZFIAWWZZJQFG-HXUWFJFHSA-N 1 0 333.439 2.841 40 30 EFEBRO N#Cc1cccc(N[C@H]2CO[C@@]3(C2)CCC[N@H+](Cc2ccco2)C3)n1 ZINC000096223048 473356345 /nfs/dbraw/zinc/35/63/45/473356345.db2.gz ZBVLANSVYBABPF-VQIMIIECSA-N 1 0 338.411 2.782 40 30 EFEBRO C[NH+]=C(NCc1nc(C)no1)NCC(c1ccccc1)c1ccccc1 ZINC000096406305 473382501 /nfs/dbraw/zinc/38/25/01/473382501.db2.gz CHSOAYQHQUTWRF-UHFFFAOYSA-N 1 0 349.438 2.875 40 30 EFEBRO CC[NH+]=C(NCc1nc(C)c(C)o1)N(C)Cc1cccc(OC)c1 ZINC000096406089 473382625 /nfs/dbraw/zinc/38/26/25/473382625.db2.gz DTIRAPLPWVJPOW-UHFFFAOYSA-N 1 0 330.432 2.898 40 30 EFEBRO C#CC[NH+]1CCC(C(=O)N[C@H](C)[C@@H](OC)c2ccc(Cl)cc2)CC1 ZINC000096412154 473391868 /nfs/dbraw/zinc/39/18/68/473391868.db2.gz JLCMBJMJYDSKTE-RDTXWAMCSA-N 1 0 348.874 2.877 40 30 EFEBRO CCOC(=O)c1ccc[n+](CC(=O)c2ccc(Br)cc2)c1 ZINC000003152478 471435286 /nfs/dbraw/zinc/43/52/86/471435286.db2.gz MBIPMUFCFWZVEK-UHFFFAOYSA-N 1 0 349.204 2.796 40 30 EFEBRO COc1ccc(C(=O)[C@]2(C)N(O)[C@@H](C)C(c3ccccc3)[N+]2=O)cc1 ZINC000007813395 471639789 /nfs/dbraw/zinc/63/97/89/471639789.db2.gz PKIIXIJXLRUQSM-ORAYPTAESA-N 1 0 340.379 2.687 40 30 EFEBRO Cn1n[n+](CC(=O)c2ccc(Br)cc2)c2ccccc21 ZINC000015962069 471921684 /nfs/dbraw/zinc/92/16/84/471921684.db2.gz WKLUIFOBBKLRKP-UHFFFAOYSA-N 1 0 331.193 2.506 40 30 EFEBRO Cc1ccc(C(=O)C[n+]2c3ccccc3n3c2SC[C@@H](O)C3)cc1 ZINC000015961552 471922116 /nfs/dbraw/zinc/92/21/16/471922116.db2.gz QQYDDSPEEJGQBN-HNNXBMFYSA-N 1 0 339.440 2.587 40 30 EFEBRO CC[NH+](CC)CCC[C@H](C)NC(=S)N/N=C(\C)c1ccccn1 ZINC000017107797 471956216 /nfs/dbraw/zinc/95/62/16/471956216.db2.gz JDELQHHBOGXZLZ-SPPQWUQUSA-N 1 0 335.521 2.780 40 30 EFEBRO O=S1(=O)C[C@H]([NH+]2CCCCC2)C2=C(O1)c1ccccc1SC2 ZINC000031750903 472392461 /nfs/dbraw/zinc/39/24/61/472392461.db2.gz WNHLTMYNRXPXAT-AWEZNQCLSA-N 1 0 337.466 2.718 40 30 EFEBRO Cc1c([C@H](C)[NH2+]C[C@H](O)c2ccncc2)cnn1-c1ccc(C#N)cc1 ZINC000097233940 472485426 /nfs/dbraw/zinc/48/54/26/472485426.db2.gz LTBONSGFEFCRHK-XOBRGWDASA-N 1 0 347.422 2.832 40 30 EFEBRO COc1ccc([C@H](CNC(=[NH2+])N(C)C2CC2)N2CCCCC2)cc1 ZINC000097371834 472492697 /nfs/dbraw/zinc/49/26/97/472492697.db2.gz GUUSCGSZPGGHSO-SFHVURJKSA-N 1 0 330.476 2.631 40 30 EFEBRO C[C@H](CCNC(=O)NCc1cc(C#N)ccc1F)[NH+]1CCCCC1 ZINC000097372867 472493837 /nfs/dbraw/zinc/49/38/37/472493837.db2.gz REQTWHWDLFQCJX-CQSZACIVSA-N 1 0 332.423 2.761 40 30 EFEBRO CC[N@H+](C)C[C@@H]1CCN(Cc2c(C#N)c(C)nn2-c2ccccc2)C1 ZINC000091071904 472693766 /nfs/dbraw/zinc/69/37/66/472693766.db2.gz ZBWKJBXVNYEXSZ-KRWDZBQOSA-N 1 0 337.471 2.826 40 30 EFEBRO CN(C)C(=O)NC1CC2(C1)CC[NH+](Cc1ccc(C#N)cc1)CC2 ZINC000108526716 473036256 /nfs/dbraw/zinc/03/62/56/473036256.db2.gz NLLHCWXMWPNBJB-UHFFFAOYSA-N 1 0 326.444 2.574 40 30 EFEBRO C[C@@H](C#N)CNC(=O)Nc1cccc(OCC[NH+]2CCCCC2)c1 ZINC000095410916 473200116 /nfs/dbraw/zinc/20/01/16/473200116.db2.gz MBYGXQDPYAUEPM-HNNXBMFYSA-N 1 0 330.432 2.832 40 30 EFEBRO N#Cc1cc(N2CCC[C@@H](C[NH+]3CCOCC3)C2)nc2ccccc12 ZINC000096429498 473408234 /nfs/dbraw/zinc/40/82/34/473408234.db2.gz WXMSMLQIEUFKNX-INIZCTEOSA-N 1 0 336.439 2.655 40 30 EFEBRO C[C@H](C[NH2+][C@H](C(N)=O)c1ccc(C#N)cc1)Oc1ccccc1Cl ZINC000096437225 473416100 /nfs/dbraw/zinc/41/61/00/473416100.db2.gz MULXTTMCIGGDTL-PXAZEXFGSA-N 1 0 343.814 2.795 40 30 EFEBRO C[C@@H](C[NH2+][C@@H](C(N)=O)c1ccc(C#N)cc1)Oc1ccccc1Cl ZINC000096437226 473416177 /nfs/dbraw/zinc/41/61/77/473416177.db2.gz MULXTTMCIGGDTL-YVEFUNNKSA-N 1 0 343.814 2.795 40 30 EFEBRO C=C(C)C[NH+]1CCC(NC(=O)N2CCS[C@@H](C(C)C)C2)CC1 ZINC000096439937 473419335 /nfs/dbraw/zinc/41/93/35/473419335.db2.gz KPUNBQRYJHHESZ-MRXNPFEDSA-N 1 0 325.522 2.810 40 30 EFEBRO CC[NH+]=C(NCCc1ccccn1)NC[C@@H]1CCO[C@@H]1C(C)(C)C ZINC000096447295 473424577 /nfs/dbraw/zinc/42/45/77/473424577.db2.gz HHUKQLYDFFPLHC-RDJZCZTQSA-N 1 0 332.492 2.630 40 30 EFEBRO C=C(C)C[NH+]1CCC(NC(=O)N[C@H]2CCO[C@@H]2c2ccccc2)CC1 ZINC000096446994 473424926 /nfs/dbraw/zinc/42/49/26/473424926.db2.gz HPFBMPIYQMPANV-RBUKOAKNSA-N 1 0 343.471 2.856 40 30 EFEBRO N#Cc1ccc(C(=O)N2CCc3c2cccc3C[NH+]2CCCC2)nc1 ZINC000096448335 473425953 /nfs/dbraw/zinc/42/59/53/473425953.db2.gz QFVLQLDHIRUYCF-UHFFFAOYSA-N 1 0 332.407 2.752 40 30 EFEBRO C[NH+]=C(NCc1ccon1)N[C@H]1CCCN(c2ccccc2Cl)C1 ZINC000096462459 473434916 /nfs/dbraw/zinc/43/49/16/473434916.db2.gz PVVIOOBRAZCVCU-AWEZNQCLSA-N 1 0 347.850 2.662 40 30 EFEBRO C[NH+]=C(NCc1ccon1)NCc1cc(Cl)ccc1OC(F)F ZINC000096462448 473435065 /nfs/dbraw/zinc/43/50/65/473435065.db2.gz DQPPIYGMEZSNOE-UHFFFAOYSA-N 1 0 344.749 2.795 40 30 EFEBRO C=CCC[C@H](O)C[N@@H+]1CCCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000096473569 473436912 /nfs/dbraw/zinc/43/69/12/473436912.db2.gz HSODLYXYIMKRLU-KRWDZBQOSA-N 1 0 336.863 2.815 40 30 EFEBRO C[C@H]([NH2+][C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1cncc(F)c1 ZINC000096500305 473451663 /nfs/dbraw/zinc/45/16/63/473451663.db2.gz AOQLAMMWIONZOD-SCLBCKFNSA-N 1 0 338.386 2.939 40 30 EFEBRO C[C@H]([NH2+][C@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1cncc(F)c1 ZINC000096500307 473452115 /nfs/dbraw/zinc/45/21/15/473452115.db2.gz AOQLAMMWIONZOD-UGSOOPFHSA-N 1 0 338.386 2.939 40 30 EFEBRO COc1ccc([C@H](C[NH2+][C@H]2CCC[C@H](C#N)C2)N2CCOCC2)cc1 ZINC000185757662 473506411 /nfs/dbraw/zinc/50/64/11/473506411.db2.gz ZGINJGQDPRBLHO-QRFRQXIXSA-N 1 0 343.471 2.740 40 30 EFEBRO CC[NH+]=C(NCCc1csc(C)n1)NCc1cccc(OC)c1 ZINC000195530271 474089995 /nfs/dbraw/zinc/08/99/95/474089995.db2.gz OYSSJNYXJGDXFW-UHFFFAOYSA-N 1 0 332.473 2.758 40 30 EFEBRO C[C@H]([NH2+]CCc1ccc(S(C)(=O)=O)cc1)c1cccc(C#N)c1 ZINC000195550633 474095031 /nfs/dbraw/zinc/09/50/31/474095031.db2.gz LCPAWMZYEPHCCO-AWEZNQCLSA-N 1 0 328.437 2.855 40 30 EFEBRO N#CCSCC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000241126050 474552952 /nfs/dbraw/zinc/55/29/52/474552952.db2.gz JJDCHBOHIAGWOA-QZTJIDSGSA-N 1 0 343.496 2.756 40 30 EFEBRO Cc1cc(N2CCC(CNC(=O)c3ccc(C#N)cc3)CC2)cc[nH+]1 ZINC000244909635 474570241 /nfs/dbraw/zinc/57/02/41/474570241.db2.gz AOCXITSSTWJMCC-UHFFFAOYSA-N 1 0 334.423 2.908 40 30 EFEBRO C=CCNC(=O)C[NH2+][C@@H]1CCN(CC)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000252509156 474686639 /nfs/dbraw/zinc/68/66/39/474686639.db2.gz YDKJVXDPZAHERS-NVXWUHKLSA-N 1 0 339.842 2.506 40 30 EFEBRO C=C(C)[C@H]1OCC[C@H]1CNC(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000253426024 474750909 /nfs/dbraw/zinc/75/09/09/474750909.db2.gz FKLZDXWZWDHBTG-FUHWJXTLSA-N 1 0 335.492 2.628 40 30 EFEBRO C=CCNC(=O)C[C@@H]1CC[N@@H+](Cc2ccc(OC)cc2O)C[C@@H]1CC ZINC000008295711 518900334 /nfs/dbraw/zinc/90/03/34/518900334.db2.gz JHXPWISJVYKOAZ-HOTGVXAUSA-N 1 0 346.471 2.941 40 30 biogenic,in-vitro EFEBRO CCCC#C[C@@](O)(C(=O)O[C@@H]1C[NH+]2CCC1CC2)C1CCCCC1 ZINC000001640766 519861141 /nfs/dbraw/zinc/86/11/41/519861141.db2.gz CZSCWCOOWBSDAG-QUCCMNQESA-N 1 0 333.472 2.739 40 30 EFEBRO O=C1C=C([NH2+]Nc2ccc(I)cc2)CCC1 ZINC000255188698 526960829 /nfs/dbraw/zinc/96/08/29/526960829.db2.gz KYUUIAHHKQQDOV-UHFFFAOYSA-N 1 0 328.153 2.845 40 30 EFEBRO [NH3+]C[C@H](O)CC(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F ZINC000100237393 219094756 /nfs/dbraw/zinc/09/47/56/219094756.db2.gz PFCGKMUHBNXVEA-GSVOUGTGSA-N 1 0 343.136 2.800 40 30 EFEBRO N#Cc1cc(N2CCC[C@H](C[NH+]3CCOCC3)C2)nc2ccccc12 ZINC000096429497 283103479 /nfs/dbraw/zinc/10/34/79/283103479.db2.gz WXMSMLQIEUFKNX-MRXNPFEDSA-N 1 0 336.439 2.655 40 30 EFEBRO CC[NH+](CC)[C@@H](CNC(=O)c1cc(C#N)ccn1)c1ccsc1 ZINC000225800629 242041211 /nfs/dbraw/zinc/04/12/11/242041211.db2.gz JDYIZUDSDOIWLR-INIZCTEOSA-N 1 0 328.441 2.828 40 30 EFEBRO CCO[C@H]1C[C@@H]([NH2+]C2CCN(c3ccc(C#N)cn3)CC2)C1(C)C ZINC000096493390 218871250 /nfs/dbraw/zinc/87/12/50/218871250.db2.gz YSUPNIFPKXLKQB-SJORKVTESA-N 1 0 328.460 2.715 40 30 EFEBRO N#Cc1cc(NC2CC[NH+](Cc3ccccn3)CC2)ccc1[N+](=O)[O-] ZINC000165798087 226136408 /nfs/dbraw/zinc/13/64/08/226136408.db2.gz GZAJIAWDQMNFLX-UHFFFAOYSA-N 1 0 337.383 2.938 40 30 EFEBRO N#Cc1ccc(C(=O)N2CCCSC[C@@H]2C[NH+]2CCCC2)cc1 ZINC000085473205 303187992 /nfs/dbraw/zinc/18/79/92/303187992.db2.gz NWXRVFCSNGCMGT-KRWDZBQOSA-N 1 0 329.469 2.602 40 30 EFEBRO Cc1cc(C(=O)N2C[C@H]3CCC[N@@H+]3Cc3ccccc32)ncc1C#N ZINC000580627012 324200336 /nfs/dbraw/zinc/20/03/36/324200336.db2.gz YWHKESKJLOZWRF-QGZVFWFLSA-N 1 0 332.407 2.887 40 30 EFEBRO C=CCO[C@@H]1CC[C@H]2[C@H]1OCC[N@H+]2CCc1ccc(OC)c(OC)c1 ZINC000096041532 473262367 /nfs/dbraw/zinc/26/23/67/473262367.db2.gz WDGSWCJDZIATIQ-ILZDJORESA-N 1 0 347.455 2.681 40 30 EFEBRO Cc1cccc(C[N@@H+]2CC[C@]3(CC(=O)N(c4cccc(C#N)c4)C3)C2)n1 ZINC000096077464 473290245 /nfs/dbraw/zinc/29/02/45/473290245.db2.gz RDIJLUADBKZMEB-NRFANRHFSA-N 1 0 346.434 2.891 40 30 EFEBRO N#Cc1cccc(C[NH2+]C[C@H]2Cn3nnc(-c4ccccc4)c3CO2)c1 ZINC000096199277 473335755 /nfs/dbraw/zinc/33/57/55/473335755.db2.gz VPYYNJWICUOVNS-SFHVURJKSA-N 1 0 345.406 2.505 40 30 EFEBRO C=CC[N@H+]1CCC[C@@]12CCCN(S(=O)(=O)c1cccc(C)c1)C2 ZINC000096214811 473347700 /nfs/dbraw/zinc/34/77/00/473347700.db2.gz JNZNABUTOWVPJH-SFHVURJKSA-N 1 0 334.485 2.800 40 30 EFEBRO N#Cc1cccc(N[C@H]2CO[C@]3(C2)CCC[N@H+](Cc2ccco2)C3)n1 ZINC000096223053 473355152 /nfs/dbraw/zinc/35/51/52/473355152.db2.gz ZBVLANSVYBABPF-APWZRJJASA-N 1 0 338.411 2.782 40 30 EFEBRO N#Cc1ccc(N2C[C@]3(CC[N@H+](Cc4ccccn4)C3)CC2=O)cc1 ZINC000096238834 473360381 /nfs/dbraw/zinc/36/03/81/473360381.db2.gz LOGUQJHCAGOQSB-HXUWFJFHSA-N 1 0 332.407 2.582 40 30 EFEBRO N#Cc1cccc(N2C[C@@]3(CC[N@H+](Cc4ccccn4)C3)CC2=O)c1 ZINC000096238881 473360513 /nfs/dbraw/zinc/36/05/13/473360513.db2.gz FONGJRHRZOMIBM-FQEVSTJZSA-N 1 0 332.407 2.582 40 30 EFEBRO CCC(=O)OCOc1ccc(/C=C2\CC[C@@H](C[NH+](C)C)C2=O)cc1 ZINC000001625854 471394786 /nfs/dbraw/zinc/39/47/86/471394786.db2.gz SMDDTKYJMPEYDY-SFKKXYGYSA-N 1 0 331.412 2.900 40 30 EFEBRO Cc1csc[n+]1CC(=O)c1ccc(I)cc1 ZINC000001667000 471395198 /nfs/dbraw/zinc/39/51/98/471395198.db2.gz UVLFBTRJFWNVGQ-UHFFFAOYSA-N 1 0 344.197 2.832 40 30 EFEBRO C[NH+]=C(NCCc1ccc2c(c1)CCO2)N[C@H](C)c1ccc(C)o1 ZINC000088791993 472386936 /nfs/dbraw/zinc/38/69/36/472386936.db2.gz PBHGWERXGDFUFP-CQSZACIVSA-N 1 0 327.428 2.992 40 30 EFEBRO Cc1c([C@@H](C)[NH2+]C[C@@H](O)c2ccncc2)cnn1-c1ccc(C#N)cc1 ZINC000097233942 472484863 /nfs/dbraw/zinc/48/48/63/472484863.db2.gz LTBONSGFEFCRHK-JLTOFOAXSA-N 1 0 347.422 2.832 40 30 EFEBRO Cc1c([C@@H](C)[NH2+]C[C@H](O)c2ccncc2)cnn1-c1ccc(C#N)cc1 ZINC000097233939 472485445 /nfs/dbraw/zinc/48/54/45/472485445.db2.gz LTBONSGFEFCRHK-VLIAUNLRSA-N 1 0 347.422 2.832 40 30 EFEBRO C[C@H]1CCC[C@@](C#N)(NC(=O)c2cnn(CC[NH+]3CCCCC3)c2)C1 ZINC000073767045 472871441 /nfs/dbraw/zinc/87/14/41/472871441.db2.gz QFWXUUGWCMYZQL-QFBILLFUSA-N 1 0 343.475 2.571 40 30 EFEBRO Cc1ccc(C[N@@H+]2CC[C@]3(C[C@@H](Nc4cccc(C#N)n4)CO3)C2)o1 ZINC000107728694 472978901 /nfs/dbraw/zinc/97/89/01/472978901.db2.gz LCBLSLAWGHGKLK-APWZRJJASA-N 1 0 338.411 2.700 40 30 EFEBRO C[C@H](C#N)CNC(=O)Nc1cccc(OCC[NH+]2CCCCC2)c1 ZINC000095410915 473200300 /nfs/dbraw/zinc/20/03/00/473200300.db2.gz MBYGXQDPYAUEPM-OAHLLOKOSA-N 1 0 330.432 2.832 40 30 EFEBRO C#CC[NH+]1CCC(C(=O)N2c3ccccc3N(C)CC[C@H]2C)CC1 ZINC000096425353 473403969 /nfs/dbraw/zinc/40/39/69/473403969.db2.gz UBFKFUMITCTDBO-MRXNPFEDSA-N 1 0 325.456 2.593 40 30 EFEBRO CC[NH+]=C(NCc1nc(C)no1)NC[C@H](C)c1ccc(F)c(F)c1 ZINC000096450229 473427742 /nfs/dbraw/zinc/42/77/42/473427742.db2.gz RLNXWWAILNAHBI-JTQLQIEISA-N 1 0 337.374 2.515 40 30 EFEBRO C[NH+]=C(NCCC1=CCOCC1)N[C@@H]1C[C@H](C)N(c2ccccc2)C1 ZINC000096484223 473443134 /nfs/dbraw/zinc/44/31/34/473443134.db2.gz KNSNUABLUXWLPB-FUHWJXTLSA-N 1 0 342.487 2.556 40 30 EFEBRO CN(C)C(=[NH2+])NCC1(c2cccc(C(F)(F)F)c2)CCOCC1 ZINC000170910426 473643935 /nfs/dbraw/zinc/64/39/35/473643935.db2.gz IOHHLWNSAKNOSS-UHFFFAOYSA-N 1 0 329.366 2.630 40 30 EFEBRO C[NH+]1CCN(c2c(N)cc(C#N)n2Cc2cccc3ccccc32)CC1 ZINC000225869407 474238413 /nfs/dbraw/zinc/23/84/13/474238413.db2.gz HERLELFBVDCQCB-UHFFFAOYSA-N 1 0 345.450 2.895 40 30 EFEBRO CCN1CC[NH+](C[C@H](C)CNc2c(C#N)cnc3ccccc32)CC1 ZINC000189442324 474397787 /nfs/dbraw/zinc/39/77/87/474397787.db2.gz VQMLCSVQLMNHQX-MRXNPFEDSA-N 1 0 337.471 2.792 40 30 EFEBRO COc1ccc([C@H](C[NH2+][C@@H]2CCC[C@@H](C#N)C2)N2CCOCC2)cc1 ZINC000248945899 474488983 /nfs/dbraw/zinc/48/89/83/474488983.db2.gz ZGINJGQDPRBLHO-POAQFYNOSA-N 1 0 343.471 2.740 40 30 EFEBRO C=CCN(C)C(=O)N[C@H]1CC[N@H+](C2CC2)[C@H]1c1cccc(OC)c1 ZINC000249279556 474550892 /nfs/dbraw/zinc/55/08/92/474550892.db2.gz OKUCZINNYBZCPM-ROUUACIJSA-N 1 0 329.444 2.800 40 30 EFEBRO C=CCNC(=O)C[NH2+][C@@H]1CCN(CC)[C@H]1c1ccc(Cl)c(F)c1 ZINC000252509158 474687886 /nfs/dbraw/zinc/68/78/86/474687886.db2.gz YDKJVXDPZAHERS-WBVHZDCISA-N 1 0 339.842 2.506 40 30 EFEBRO C=C(C)C[NH+]1CCC(NC(=O)N2CCC=C(Br)C2)CC1 ZINC000253420560 474747101 /nfs/dbraw/zinc/74/71/01/474747101.db2.gz YHYSQBAVZDDVCU-UHFFFAOYSA-N 1 0 342.281 2.721 40 30 EFEBRO COc1cc2c(c(OC)c1OC)CC[N@@H+]([C@H]1CC[C@H](C#N)C1)CC2 ZINC000590162727 479612705 /nfs/dbraw/zinc/61/27/05/479612705.db2.gz NAKLOLHJFOJVJN-ZFWWWQNUSA-N 1 0 330.428 2.805 40 30 EFEBRO Cc1nc(-c2nc(C(=O)NCCC[S+](C)C)cs2)cs1 ZINC000005519187 526624236 /nfs/dbraw/zinc/62/42/36/526624236.db2.gz BTJBOLSVLROWEF-UHFFFAOYSA-O 1 0 328.508 2.573 40 30 EFEBRO