smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCOC(=O)C1C(CN2CC[NH+]([C@H](C)CC)CC2)=NC(=O)N[C@@H]1c1ccc(OC)cc1 ZINC000020530940 520515471 /nfs/dbraw/zinc/51/54/71/520515471.db2.gz QQMKNHNADMXZJW-IIBYNOLFSA-N 1 1 430.549 2.282 50 0 IEAAMO CC[NH+]1CCN(C2CCN(C(=O)[C@@H]3CCC(=O)N(Cc4ccccc4F)C3)CC2)CC1 ZINC000020773870 521671674 /nfs/dbraw/zinc/67/16/74/521671674.db2.gz VRJHMCKRKXHPKD-HXUWFJFHSA-N 1 1 430.568 2.193 50 0 IEAAMO CCN1CC[NH+](CCCNC(=O)c2ccccc2NC(=O)C2=C(C)OCCS2)CC1 ZINC000020919165 521680942 /nfs/dbraw/zinc/68/09/42/521680942.db2.gz GCGFVPWCMUGANO-UHFFFAOYSA-N 1 1 432.590 2.377 50 0 IEAAMO CCN1CC[NH+](CCCNC(=O)c2sc3nc4n(c(=O)c3c2C)CCCCC4)CC1 ZINC000020489114 521682305 /nfs/dbraw/zinc/68/23/05/521682305.db2.gz AIVMVWHYWGJMBT-UHFFFAOYSA-N 1 1 431.606 2.250 50 0 IEAAMO CCN1CCN(C[C@H](O)COc2cccc(C[NH2+]CCCOc3cccnc3)c2)CC1 ZINC000020600319 521687020 /nfs/dbraw/zinc/68/70/20/521687020.db2.gz PJJADSSMBNXNTO-QFIPXVFZSA-N 1 1 428.577 2.018 50 0 IEAAMO COC(=O)c1ccc([C@H]2C(C(=O)OC)=C(C)C=C([NH+]3CCOCC3)[C@@H]2C(=O)OC)cc1 ZINC000012402740 522172157 /nfs/dbraw/zinc/17/21/57/522172157.db2.gz DHTOEOYYVHNGHH-PMACEKPBSA-N 1 1 429.469 2.065 50 0 IEAAMO COC(=O)c1cn([C@H]2C[C@@H](C(=O)NCc3ccc(OC)cc3)[N@@H+](CC(C)(C)C)C2)nn1 ZINC000012331043 522329648 /nfs/dbraw/zinc/32/96/48/522329648.db2.gz IYVSKDDYKFKZEU-LPHOPBHVSA-N 1 1 429.521 2.051 50 0 IEAAMO COc1cc(C[N@H+]2CCc3nnc(CNC(=O)CCc4cccnc4)n3CC2)ccc1F ZINC000020599729 522396820 /nfs/dbraw/zinc/39/68/20/522396820.db2.gz KWLREYUJYJVLOI-UHFFFAOYSA-N 1 1 438.507 2.128 50 0 IEAAMO COc1cc(C[N@@H+]2CCc3nnc(CNC(=O)CCc4cccnc4)n3CC2)ccc1F ZINC000020599729 522396829 /nfs/dbraw/zinc/39/68/29/522396829.db2.gz KWLREYUJYJVLOI-UHFFFAOYSA-N 1 1 438.507 2.128 50 0 IEAAMO COc1cc(C[N@H+]2CCc3nnc(CNC(=O)Cc4cccc(F)c4)n3CC2)ccc1F ZINC000020599792 522399576 /nfs/dbraw/zinc/39/95/76/522399576.db2.gz ULKOYDQFCOCKFA-UHFFFAOYSA-N 1 1 441.482 2.482 50 0 IEAAMO COc1cc(C[N@@H+]2CCc3nnc(CNC(=O)Cc4cccc(F)c4)n3CC2)ccc1F ZINC000020599792 522399584 /nfs/dbraw/zinc/39/95/84/522399584.db2.gz ULKOYDQFCOCKFA-UHFFFAOYSA-N 1 1 441.482 2.482 50 0 IEAAMO COc1cc(C[NH2+]CCc2nc(C)cc(C)n2)ccc1OC[C@H](O)CN1CCSCC1 ZINC000012704103 522456718 /nfs/dbraw/zinc/45/67/18/522456718.db2.gz VCXBRXIXQXDZCM-HXUWFJFHSA-N 1 1 446.617 2.223 50 0 IEAAMO COCC(=O)N[C@H](c1nnc2n1CC[N@H+](Cc1ccc(OC)c(C)c1OC)CC2)C(C)C ZINC000020600938 522777515 /nfs/dbraw/zinc/77/75/15/522777515.db2.gz KIHZBHFSLZNSTN-NRFANRHFSA-N 1 1 445.564 2.122 50 0 IEAAMO C[N@@H+](CCNC(=O)[C@H]1CCCN(c2nnc(N3CCCC3=O)s2)C1)C1CCCCC1 ZINC000021027054 522856928 /nfs/dbraw/zinc/85/69/28/522856928.db2.gz GGEQSPQPVAUEDQ-INIZCTEOSA-N 1 1 434.610 2.262 50 0 IEAAMO COCCN(CCC(=O)N1CC[NH+](C)CC1)C(=O)c1cc(-c2cc(C)ccc2C)on1 ZINC000036015410 523691261 /nfs/dbraw/zinc/69/12/61/523691261.db2.gz WIYPUYBPKDTRBQ-UHFFFAOYSA-N 1 1 428.533 2.211 50 0 IEAAMO CN1CC[NH+](CCCNC(=O)CCC(=O)N2Cc3ccccc3Oc3ncccc32)CC1 ZINC000021532621 523896894 /nfs/dbraw/zinc/89/68/94/523896894.db2.gz WAOLZZFFANOGCK-UHFFFAOYSA-N 1 1 437.544 2.254 50 0 IEAAMO COCCNC(=O)[C@@H]1Cc2ccc(OC)cc2N2CC[N@@H+](Cc3ccc(F)cc3)C[C@H]12 ZINC000035871751 523915130 /nfs/dbraw/zinc/91/51/30/523915130.db2.gz FEKDISQAYPSORA-FYYLOGMGSA-N 1 1 427.520 2.460 50 0 IEAAMO COc1ccc(CC[N@@H+](C)[C@H]2CCCN(S(=O)(=O)c3c(C)n[nH]c3C)C2)cc1OC ZINC000012302699 523941057 /nfs/dbraw/zinc/94/10/57/523941057.db2.gz KQOXJSLFRZPJGI-SFHVURJKSA-N 1 1 436.578 2.371 50 0 IEAAMO COc1ccc(CN2CCN(c3ccccn3)CC2)cc1OC[C@@H](O)C[N@@H+](C)C(C)C ZINC000020449707 524034259 /nfs/dbraw/zinc/03/42/59/524034259.db2.gz WWSCOWDDLFNYLR-NRFANRHFSA-N 1 1 428.577 2.492 50 0 IEAAMO COc1ccc(CNC(=O)[C@H](CCSC)NC(=O)[C@@H]2Cc3ccccc3C[NH2+]2)cc1 ZINC000035485160 524063892 /nfs/dbraw/zinc/06/38/92/524063892.db2.gz SVLBGGTVMQBQQR-SFTDATJTSA-N 1 1 427.570 2.264 50 0 biogenic IEAAMO Cc1ccc(C[NH+]2CCN(C(=O)[C@@H]3CCc4nc(N5CCOCC5)ncc4C3)CC2)cc1C ZINC000065289630 524455413 /nfs/dbraw/zinc/45/54/13/524455413.db2.gz KFZMBIATAUIVSZ-JOCHJYFZSA-N 1 1 449.599 2.379 50 0 IEAAMO COc1ccccc1N1CC[NH+](C[C@H](O)COc2cc(OC)c(OC)c(OC)c2)CC1 ZINC000021982930 524557972 /nfs/dbraw/zinc/55/79/72/524557972.db2.gz KSQCNASWXSCJTD-KRWDZBQOSA-N 1 1 432.517 2.283 50 0 in-man IEAAMO COc1ccc(OC)c(C[N@@H+]2CCc3nnc([C@@H](C)NC(=O)c4ccco4)n3CC2)c1 ZINC000012135236 524826598 /nfs/dbraw/zinc/82/65/98/524826598.db2.gz NRHNNSIJJPOTOP-OAHLLOKOSA-N 1 1 425.489 2.438 50 0 IEAAMO COc1ccc(OC)c(C[N@@H+]2CCc3nnc([C@H](C)NC(=O)c4ccco4)n3CC2)c1 ZINC000012135239 524829354 /nfs/dbraw/zinc/82/93/54/524829354.db2.gz NRHNNSIJJPOTOP-HNNXBMFYSA-N 1 1 425.489 2.438 50 0 IEAAMO COc1ccc(OC)c([C@H]2CN(C(=O)C3CCCC3)C[C@H]2C(=O)N2CC[NH+](C)CC2)c1 ZINC000036059593 524915885 /nfs/dbraw/zinc/91/58/85/524915885.db2.gz NHISXLLYDQFZHI-NHCUHLMSSA-N 1 1 429.561 2.210 50 0 IEAAMO Cc1ccc(NC(=O)CSc2nc(=O)n(CCC[NH+]3CCOCC3)c3c2CCC3)cc1 ZINC000022909015 525078849 /nfs/dbraw/zinc/07/88/49/525078849.db2.gz YAGIYWUZVALPQD-UHFFFAOYSA-N 1 1 442.585 2.494 50 0 IEAAMO C[C@@H](NC(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)c1ccc(S(C)(=O)=O)cc1 ZINC000022436914 525215078 /nfs/dbraw/zinc/21/50/78/525215078.db2.gz IKCJYOTVXKXSFU-QGZVFWFLSA-N 1 1 431.558 2.483 50 0 IEAAMO C[C@]1(c2ccc3c(c2)OCCO3)NC(=O)N(CN2CC[NH+](Cc3cccs3)CC2)C1=O ZINC000022804780 525319242 /nfs/dbraw/zinc/31/92/42/525319242.db2.gz RBVTWNMWMRQBFN-JOCHJYFZSA-N 1 1 442.541 2.062 50 0 IEAAMO COc1cccc(-c2cc(C(=O)N[C@@H](Cc3ccccc3)C(=O)N3CC[NH+](C)CC3)no2)c1 ZINC000036002411 525702932 /nfs/dbraw/zinc/70/29/32/525702932.db2.gz CXHYTHHEDPKTKO-QFIPXVFZSA-N 1 1 448.523 2.465 50 0 IEAAMO Cc1ccc([C@H](C)CC[N@@H+]2CCc3nnc(CCNC(=O)C4CCOCC4)n3CC2)o1 ZINC000012450744 525875168 /nfs/dbraw/zinc/87/51/68/525875168.db2.gz XUKCNYUQDUBTPA-QGZVFWFLSA-N 1 1 429.565 2.317 50 0 IEAAMO O=C(C[N@H+]1CC=C(c2ccccc2)CC1)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 ZINC000012732416 526724302 /nfs/dbraw/zinc/72/43/02/526724302.db2.gz PKMUVNJSXNARDV-XMMPIXPASA-N 1 1 447.535 2.287 50 0 IEAAMO O=C(C[N@@H+]1CC=C(c2ccccc2)CC1)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 ZINC000012732416 526724306 /nfs/dbraw/zinc/72/43/06/526724306.db2.gz PKMUVNJSXNARDV-XMMPIXPASA-N 1 1 447.535 2.287 50 0 IEAAMO O=C(CN1CC[NH+](Cc2ccccc2)CC1)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000022917826 526776142 /nfs/dbraw/zinc/77/61/42/526776142.db2.gz QKDFDIKEWDYQJO-UHFFFAOYSA-N 1 1 442.585 2.227 50 0 IEAAMO Cc1oc2ncn(CC(=O)NCCC[NH+]3CCN(c4ccccc4F)CC3)c(=O)c2c1C ZINC000035378372 526793261 /nfs/dbraw/zinc/79/32/61/526793261.db2.gz ZPDREYIZJOADHX-UHFFFAOYSA-N 1 1 441.507 2.074 50 0 IEAAMO Cc1nc2ccn(Cc3cccs3)c(=O)c2cc1C(=O)NCCC[NH+]1CCOCC1 ZINC000020991714 527181969 /nfs/dbraw/zinc/18/19/69/527181969.db2.gz VHLHJYSBLSTAEO-UHFFFAOYSA-N 1 1 426.542 2.267 50 0 IEAAMO O=C(NCCC[NH+]1CCOCC1)c1ccc(Cn2c(=O)c3cccn3c3cccnc32)cc1 ZINC000021527840 527671972 /nfs/dbraw/zinc/67/19/72/527671972.db2.gz RYUJLOUDVHTLGN-UHFFFAOYSA-N 1 1 445.523 2.150 50 0 IEAAMO Cc1c(C(=O)N2C[C@@H](C)O[C@H](C)C2)nnn1-c1cccc2c1CC[N@H+](C1CCOCC1)C2 ZINC000071890455 555744924 /nfs/dbraw/zinc/74/49/24/555744924.db2.gz HTRZIWCRRISDPW-IAGOWNOFSA-N 1 1 439.560 2.362 50 0 IEAAMO Cc1c(C(=O)N2C[C@@H](C)O[C@@H](C)C2)nnn1-c1cccc2c1CC[N@H+](C1CCOCC1)C2 ZINC000071890454 555744953 /nfs/dbraw/zinc/74/49/53/555744953.db2.gz HTRZIWCRRISDPW-CALCHBBNSA-N 1 1 439.560 2.362 50 0 IEAAMO Cc1ccc(F)c(NC(=O)c2coc(CN3CC[NH+](C[C@@H](O)COC(C)C)CC3)n2)c1 ZINC000034677325 555795379 /nfs/dbraw/zinc/79/53/79/555795379.db2.gz GZAGTFHURKIEFQ-QGZVFWFLSA-N 1 1 434.512 2.278 50 0 IEAAMO CC(C)OC[C@@H](O)C[NH+]1CCN(Cc2nc(C(=O)Nc3ccc(Cl)cc3)co2)CC1 ZINC000034677523 555795764 /nfs/dbraw/zinc/79/57/64/555795764.db2.gz XPTGNVPTXVKKKH-SFHVURJKSA-N 1 1 436.940 2.484 50 0 IEAAMO CCOC[C@@H](O)C[NH+]1CCN(Cc2nc(C(=O)Nc3ccc(C)c(Cl)c3)co2)CC1 ZINC000034677569 555795981 /nfs/dbraw/zinc/79/59/81/555795981.db2.gz DBVUWBAKYDOFER-KRWDZBQOSA-N 1 1 436.940 2.404 50 0 IEAAMO CCN(Cc1ccccc1)C(=O)c1coc(CN2CC[NH+](C[C@H](O)COC(C)C)CC2)n1 ZINC000034677847 555796515 /nfs/dbraw/zinc/79/65/15/555796515.db2.gz SXYIRWOXXHLZDQ-NRFANRHFSA-N 1 1 444.576 2.240 50 0 IEAAMO COCCN(C[C@H]1C[N@H+](C[C@H](O)Cc2ccccc2)CCO1)C(=O)c1cccc(F)c1 ZINC000034691434 555804129 /nfs/dbraw/zinc/80/41/29/555804129.db2.gz SFBNGIZDCXSZTN-DHIUTWEWSA-N 1 1 430.520 2.219 50 0 IEAAMO COCCN(C[C@H]1C[N@@H+](C[C@H](O)Cc2ccccc2)CCO1)C(=O)c1cccc(F)c1 ZINC000034691434 555804132 /nfs/dbraw/zinc/80/41/32/555804132.db2.gz SFBNGIZDCXSZTN-DHIUTWEWSA-N 1 1 430.520 2.219 50 0 IEAAMO CCNC(=O)N1CCO[C@H](C[N@@H+]2CCCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)C1 ZINC000034692105 555805075 /nfs/dbraw/zinc/80/50/75/555805075.db2.gz OAQIICSYLZQYOW-GOSISDBHSA-N 1 1 442.482 2.284 50 0 IEAAMO CCNC(=O)N1CCO[C@H](C[N@H+]2CCCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)C1 ZINC000034692105 555805078 /nfs/dbraw/zinc/80/50/78/555805078.db2.gz OAQIICSYLZQYOW-GOSISDBHSA-N 1 1 442.482 2.284 50 0 IEAAMO Cc1ccc(F)c(CN2CCc3nc(N4CC[NH+](C)CC4)nc(N4CCOCC4)c3C2)c1 ZINC000034755435 555900127 /nfs/dbraw/zinc/90/01/27/555900127.db2.gz DEKKCLUHVHYUSS-UHFFFAOYSA-N 1 1 440.567 2.071 50 0 IEAAMO Cc1ccc(S(=O)(=O)N2CCN(C(=O)C[N@@H+]3CCC[C@H](C(F)(F)F)C3)CC2)cc1 ZINC000012944064 556417657 /nfs/dbraw/zinc/41/76/57/556417657.db2.gz RHAAJBMIEBJDGT-INIZCTEOSA-N 1 1 433.496 2.102 50 0 IEAAMO Cc1ccc(S(=O)(=O)N2CCN(C(=O)C[N@H+]3CCC[C@H](C(F)(F)F)C3)CC2)cc1 ZINC000012944064 556417662 /nfs/dbraw/zinc/41/76/62/556417662.db2.gz RHAAJBMIEBJDGT-INIZCTEOSA-N 1 1 433.496 2.102 50 0 IEAAMO O=C(CN1CCN(Cc2ccc3c(c2)CCO3)CC1)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000022935318 556432796 /nfs/dbraw/zinc/43/27/96/556432796.db2.gz FILBNSCWTFAOSK-DEOSSOPVSA-N 1 1 434.584 2.130 50 0 IEAAMO CCOc1cc(C[N@@H+]2CCc3nnc(CNC(=O)c4ccncc4)n3CC2)ccc1OC ZINC000014880862 556453533 /nfs/dbraw/zinc/45/35/33/556453533.db2.gz GINZSJJBBCAHSM-UHFFFAOYSA-N 1 1 436.516 2.069 50 0 IEAAMO O=C(NCCCO)c1cn([C@H]2CCC[N@@H+](Cc3ccc(OC(F)(F)F)cc3)C2)nn1 ZINC000015004858 556481141 /nfs/dbraw/zinc/48/11/41/556481141.db2.gz NWPFLXVUAUQCQZ-HNNXBMFYSA-N 1 1 427.427 2.126 50 0 IEAAMO CC(C)[C@@H](NS(=O)(=O)c1cccs1)C(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000029968668 556487656 /nfs/dbraw/zinc/48/76/56/556487656.db2.gz NCUQVYYOVPYZEA-GOSISDBHSA-N 1 1 443.635 2.202 50 0 IEAAMO C[N@H+](CC(=O)NC(=O)Nc1ccc2c(c1)OCCO2)Cc1ccccc1N1CCOCC1 ZINC000015038569 556489438 /nfs/dbraw/zinc/48/94/38/556489438.db2.gz DJUNKDOFEDTHGU-UHFFFAOYSA-N 1 1 440.500 2.075 50 0 IEAAMO C[N@@H+](CC(=O)NC(=O)Nc1ccc2c(c1)OCCO2)Cc1ccccc1N1CCOCC1 ZINC000015038569 556489443 /nfs/dbraw/zinc/48/94/43/556489443.db2.gz DJUNKDOFEDTHGU-UHFFFAOYSA-N 1 1 440.500 2.075 50 0 IEAAMO CCOc1ccc(S(=O)(=O)N(CC(=O)N2CC[NH+](C)CC2)c2ccc(F)cc2)cc1 ZINC000013483900 556508536 /nfs/dbraw/zinc/50/85/36/556508536.db2.gz YNYCPMOOZLVADD-UHFFFAOYSA-N 1 1 435.521 2.194 50 0 IEAAMO CC(C)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)NC[C@H](C(C)C)[NH+]1CCOCC1 ZINC000032901141 556532288 /nfs/dbraw/zinc/53/22/88/556532288.db2.gz VSOUMLGYNSKOCO-RTBURBONSA-N 1 1 446.013 2.116 50 0 IEAAMO CC[C@H]1CCCC[N@H+]1CCNC(=O)C1CCN(S(=O)(=O)c2c(C)noc2C)CC1 ZINC000004436352 556546731 /nfs/dbraw/zinc/54/67/31/556546731.db2.gz HVVCAWIYWDLEQT-SFHVURJKSA-N 1 1 426.583 2.073 50 0 IEAAMO CC(C)CCN(C(=O)C[N@@H+]1CCC1(C)C)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000072308453 556564950 /nfs/dbraw/zinc/56/49/50/556564950.db2.gz DZNXMGQKFLTFBK-UHFFFAOYSA-N 1 1 427.549 2.031 50 0 IEAAMO CC(C)CCN(C(=O)C[N@H+]1CCC1(C)C)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000072308453 556564952 /nfs/dbraw/zinc/56/49/52/556564952.db2.gz DZNXMGQKFLTFBK-UHFFFAOYSA-N 1 1 427.549 2.031 50 0 IEAAMO CCc1cccc2c1NC(=O)[C@@]21[NH2+][C@H]([C@@H](C)O)[C@H]2C(=O)N(C3CCCCCC3)C(=O)[C@H]21 ZINC000016020719 556575047 /nfs/dbraw/zinc/57/50/47/556575047.db2.gz FIWJEROXCFEZOZ-MJZZQVIGSA-N 1 1 425.529 2.073 50 0 IEAAMO COCCn1c2ccc(C)cc2cc(CN2CCC(C(N)=O)([NH+]3CCCCC3)CC2)c1=O ZINC000019229554 556718004 /nfs/dbraw/zinc/71/80/04/556718004.db2.gz YQYURWVBAIXLHZ-UHFFFAOYSA-N 1 1 440.588 2.262 50 0 IEAAMO Cc1cc(C)c2c(OCC(=O)NC[C@H](C)[NH+]3CCN(c4ccccc4)CC3)nn(C)c2n1 ZINC000058305067 556778840 /nfs/dbraw/zinc/77/88/40/556778840.db2.gz UASSQBPBJHQTKF-IBGZPJMESA-N 1 1 436.560 2.291 50 0 IEAAMO CC[NH+]1CCN(C(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(C)(=O)=O)CC1 ZINC000019527832 556787462 /nfs/dbraw/zinc/78/74/62/556787462.db2.gz VYGQFTWMUCEVPP-UHFFFAOYSA-N 1 1 427.876 2.289 50 0 IEAAMO CC[NH+]1CCN(C(=O)CN(c2ccccc2OC)S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000019527853 556787774 /nfs/dbraw/zinc/78/77/74/556787774.db2.gz BRTIEFKVQBWQAS-UHFFFAOYSA-N 1 1 431.558 2.363 50 0 IEAAMO CCOc1ccccc1NC(=O)N1CCN(c2cc(N3CCOCC3)[nH+]c(C)n2)CC1 ZINC000065361927 556834056 /nfs/dbraw/zinc/83/40/56/556834056.db2.gz YWXJCMIRZCDNFG-UHFFFAOYSA-N 1 1 426.521 2.374 50 0 IEAAMO Cc1cc(C)c(S(=O)(=O)N2CCN(c3cc(-n4ccnc4)nc(C)[nH+]3)CC2)cc1C ZINC000065363736 556835058 /nfs/dbraw/zinc/83/50/58/556835058.db2.gz QGMQCNWPFAWPFC-UHFFFAOYSA-N 1 1 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CCOC(=O)C1=C(C[N@H+]2CCC[C@H](C(=O)OCC)C2)N(C)C(=O)N[C@@H]1c1ccccc1 ZINC000104939006 557466142 /nfs/dbraw/zinc/46/61/42/557466142.db2.gz ARVPEBVQTSWMIL-FXAWDEMLSA-N 1 1 429.517 2.475 50 0 IEAAMO CCOC(=O)C1=C(C[N@@H+]2CCC[C@H](C(=O)OCC)C2)N(C)C(=O)N[C@@H]1c1ccccc1 ZINC000104939006 557466145 /nfs/dbraw/zinc/46/61/45/557466145.db2.gz ARVPEBVQTSWMIL-FXAWDEMLSA-N 1 1 429.517 2.475 50 0 IEAAMO CCc1cccc2c1NC(=O)[C@@]21[NH2+][C@H]([C@H](C)O)[C@H]2C(=O)N(C3CCCCCC3)C(=O)[C@H]21 ZINC000105348847 557495849 /nfs/dbraw/zinc/49/58/49/557495849.db2.gz FIWJEROXCFEZOZ-UEHPCVTFSA-N 1 1 425.529 2.073 50 0 IEAAMO CCOC(=O)[C@@H]1CCC[N@H+](CC2=NC(=O)N[C@@H](c3ccc(OCC)cc3)C2C(=O)OC)C1 ZINC000106615675 557530870 /nfs/dbraw/zinc/53/08/70/557530870.db2.gz UTOKUDLUBBLBBZ-UZLBHIALSA-N 1 1 445.516 2.141 50 0 IEAAMO CCOC(=O)[C@@H]1CCC[N@@H+](CC2=NC(=O)N[C@@H](c3ccc(OCC)cc3)C2C(=O)OC)C1 ZINC000106615675 557530871 /nfs/dbraw/zinc/53/08/71/557530871.db2.gz UTOKUDLUBBLBBZ-UZLBHIALSA-N 1 1 445.516 2.141 50 0 IEAAMO C[C@H]1Cc2cc(C(=O)N3CCC[C@H]3C[N@H+]3C[C@@H](C)O[C@@H](C)C3)ccc2N1S(C)(=O)=O ZINC000106756122 557532153 /nfs/dbraw/zinc/53/21/53/557532153.db2.gz QTJBCIXQFLMWNQ-LJCCNALRSA-N 1 1 435.590 2.111 50 0 IEAAMO C[C@H]1Cc2cc(C(=O)N3CCC[C@H]3C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)ccc2N1S(C)(=O)=O ZINC000106756122 557532156 /nfs/dbraw/zinc/53/21/56/557532156.db2.gz QTJBCIXQFLMWNQ-LJCCNALRSA-N 1 1 435.590 2.111 50 0 IEAAMO O=C(COc1coc(C[NH+]2CCCCC2)cc1=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000044903021 557540510 /nfs/dbraw/zinc/54/05/10/557540510.db2.gz YFLDJAOVFCGISH-UHFFFAOYSA-N 1 1 429.492 2.492 50 0 IEAAMO CCCCn1c(N)c(N(CC(C)C)C(=O)C[N@H+](C)Cc2cccc(OC)c2)c(=O)[nH]c1=O ZINC000002652529 562929320 /nfs/dbraw/zinc/92/93/20/562929320.db2.gz JENZAHGISUZBFO-UHFFFAOYSA-N 1 1 445.564 2.049 50 0 IEAAMO CCCCn1c(N)c(N(CC(C)C)C(=O)C[N@@H+](C)Cc2cccc(OC)c2)c(=O)[nH]c1=O ZINC000002652529 562929322 /nfs/dbraw/zinc/92/93/22/562929322.db2.gz JENZAHGISUZBFO-UHFFFAOYSA-N 1 1 445.564 2.049 50 0 IEAAMO CC[C@H]1C[N@@H+](CCC(=O)N2CCN(c3ncccn3)CC2)Cc2cc(OC)ccc2O1 ZINC000011995533 562980214 /nfs/dbraw/zinc/98/02/14/562980214.db2.gz DFZMQSNZVDWIEM-IBGZPJMESA-N 1 1 425.533 2.197 50 0 IEAAMO Nc1c(C(=O)NCc2ccccc2)c2nc3ccccc3nc2n1CC[NH+]1CCOCC1 ZINC000019939372 568613357 /nfs/dbraw/zinc/61/33/57/568613357.db2.gz VBIXKZDUVILJJD-UHFFFAOYSA-N 1 1 430.512 2.429 50 0 IEAAMO O=C(N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccc2c(c1)S(=O)(=O)N(C1CC1)C2=O ZINC000078597141 568762180 /nfs/dbraw/zinc/76/21/80/568762180.db2.gz TVZQAYRNEAWXIC-GOSISDBHSA-N 1 1 439.537 2.388 50 0 IEAAMO Cc1nnc([C@H]2CCC[N@H+]2CCC(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2Cl)o1 ZINC000084291447 568796843 /nfs/dbraw/zinc/79/68/43/568796843.db2.gz HHCLBWMNYHZVKT-MRXNPFEDSA-N 1 1 441.941 2.447 50 0 IEAAMO Cc1nnc([C@H]2CCC[N@@H+]2CCC(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2Cl)o1 ZINC000084291447 568796846 /nfs/dbraw/zinc/79/68/46/568796846.db2.gz HHCLBWMNYHZVKT-MRXNPFEDSA-N 1 1 441.941 2.447 50 0 IEAAMO Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@@H]2[C@@H]2CCC[N@H+]21 ZINC000015955007 568859628 /nfs/dbraw/zinc/85/96/28/568859628.db2.gz HOIKFIMALMGQNA-DNBVQBCISA-N 1 1 445.475 2.197 50 0 biogenic IEAAMO Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc4c(c3)OCO4)C(=O)[C@@H]2[C@@H]2CCC[N@H+]21 ZINC000015955113 568859634 /nfs/dbraw/zinc/85/96/34/568859634.db2.gz GYKFICCLCYUNRY-MDTICMOCSA-N 1 1 431.448 2.155 50 0 biogenic IEAAMO Cc1cc2c(c(C)c1)NC(=O)[C@]21[C@@H]2C(=O)N(c3ccc4c(c3)OCO4)C(=O)[C@@H]2[C@@H]2CCC[N@H+]21 ZINC000015955228 568859651 /nfs/dbraw/zinc/85/96/51/568859651.db2.gz CGRILSBRFQVTJJ-KHTISZTLSA-N 1 1 445.475 2.463 50 0 biogenic IEAAMO COc1ccc(CNC(=O)[C@H](CCSC)NC(=O)[C@H]2Cc3ccccc3C[NH2+]2)cc1 ZINC000015967665 568861291 /nfs/dbraw/zinc/86/12/91/568861291.db2.gz SVLBGGTVMQBQQR-LEWJYISDSA-N 1 1 427.570 2.264 50 0 IEAAMO NC(=O)[C@@H]1[C@@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@H+]12 ZINC000015989847 568861865 /nfs/dbraw/zinc/86/18/65/568861865.db2.gz VVTAFZDVSGBJBE-MLHJIOFPSA-N 1 1 438.281 2.450 50 0 IEAAMO NC(=O)[C@@H]1[C@@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@@H+]12 ZINC000015989847 568861867 /nfs/dbraw/zinc/86/18/67/568861867.db2.gz VVTAFZDVSGBJBE-MLHJIOFPSA-N 1 1 438.281 2.450 50 0 IEAAMO CCOC(=O)[C@H]1CCCN(CC2=NC(=O)N[C@H](c3cccc(Cl)c3)C2C(=O)OC)C1 ZINC000226944955 568885415 /nfs/dbraw/zinc/88/54/15/568885415.db2.gz QNTUDDDIPYPJCW-KBXCAEBGSA-N 1 1 435.908 2.396 50 0 IEAAMO CCOC(=O)[C@@H]1CCCN(CC2=C(C(=O)OC)[C@@H](c3ccc(OCC)cc3)NC(=O)N2)C1 ZINC000226945835 568885527 /nfs/dbraw/zinc/88/55/27/568885527.db2.gz UTOKUDLUBBLBBZ-OXQOHEQNSA-N 1 1 445.516 2.141 50 0 IEAAMO CCOC(=O)[C@@H]1CCC[N@H+](CC2=NC(=O)N[C@H](c3ccc(OCC)cc3)C2C(=O)OC)C1 ZINC000226945835 568885528 /nfs/dbraw/zinc/88/55/28/568885528.db2.gz UTOKUDLUBBLBBZ-OXQOHEQNSA-N 1 1 445.516 2.141 50 0 IEAAMO CCOC(=O)[C@@H]1CCC[N@@H+](CC2=NC(=O)N[C@H](c3ccc(OCC)cc3)C2C(=O)OC)C1 ZINC000226945835 568885531 /nfs/dbraw/zinc/88/55/31/568885531.db2.gz UTOKUDLUBBLBBZ-OXQOHEQNSA-N 1 1 445.516 2.141 50 0 IEAAMO C[N@H+]1CCN(CCNC(=O)c2nc(N3CCCC3)ncc2Cl)[C@@H](c2ccccc2)C1 ZINC000229521945 568886876 /nfs/dbraw/zinc/88/68/76/568886876.db2.gz OMHIJDOIOJFVEZ-LJQANCHMSA-N 1 1 428.968 2.449 50 0 IEAAMO C[C@@H]1CN(C(C)(C)CNC(=O)[C@H]2CCC[N@H+]2C2CCN(CC(F)(F)F)CC2)C[C@@H](C)O1 ZINC000229968836 568887013 /nfs/dbraw/zinc/88/70/13/568887013.db2.gz UTMUAUSLRHSIGY-ZHALLVOQSA-N 1 1 448.574 2.482 50 0 IEAAMO C[C@H](C(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)[N@H+]1CCC[C@H]1c1cccn1C ZINC000239274929 568910915 /nfs/dbraw/zinc/91/09/15/568910915.db2.gz AYOFLHWGSDULHY-NQIIRXRSSA-N 1 1 430.574 2.084 50 0 IEAAMO CC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CC[C@H](CNS(=O)(=O)c2ccc(OC)cc2)CC1 ZINC000245256109 568913814 /nfs/dbraw/zinc/91/38/14/568913814.db2.gz NSJGEXWTVXFQHP-FHWLQOOXSA-N 1 1 437.606 2.380 50 0 IEAAMO Cc1nn(C(C)(C)C)c2nc(C(C)C)cc(C(=O)N(C)C[C@@H](O)C[NH+]3CCN(C)CC3)c12 ZINC000089567343 568937647 /nfs/dbraw/zinc/93/76/47/568937647.db2.gz LYCQYNHGCASTDF-GOSISDBHSA-N 1 1 444.624 2.298 50 0 IEAAMO COc1cccc(C[N@H+]2CCC[C@]3(CCN(C(=O)Cc4c(C)[nH][nH]c4=O)C3)C2)c1OC ZINC000426514662 568941342 /nfs/dbraw/zinc/94/13/42/568941342.db2.gz MYGDQNGEZKKTPG-QHCPKHFHSA-N 1 1 428.533 2.498 50 0 IEAAMO CCOC(=O)C1=C(C[N@H+]2CCC[C@H](C(=O)OCC)C2)N(C)C(=O)N[C@H]1c1ccccc1 ZINC000035991605 568941753 /nfs/dbraw/zinc/94/17/53/568941753.db2.gz ARVPEBVQTSWMIL-PXNSSMCTSA-N 1 1 429.517 2.475 50 0 IEAAMO CCOC(=O)C1=C(C[N@@H+]2CCC[C@H](C(=O)OCC)C2)N(C)C(=O)N[C@H]1c1ccccc1 ZINC000035991605 568941755 /nfs/dbraw/zinc/94/17/55/568941755.db2.gz ARVPEBVQTSWMIL-PXNSSMCTSA-N 1 1 429.517 2.475 50 0 IEAAMO CN1CC[NH+](CCCNC(=O)c2nc(-c3ccc(N4CCCCCC4)cc3)no2)CC1 ZINC000064746573 568949660 /nfs/dbraw/zinc/94/96/60/568949660.db2.gz LOMHGJFDBWJOCY-UHFFFAOYSA-N 1 1 426.565 2.484 50 0 IEAAMO COc1ccc(C[N@@H+](CCN2CCOCC2)C[C@@H](O)COCc2ccccc2)cc1OC ZINC000036095565 568951416 /nfs/dbraw/zinc/95/14/16/568951416.db2.gz SBXJQLMRYMIQPA-HSZRJFAPSA-N 1 1 444.572 2.416 50 0 IEAAMO Cc1ccc(CNC(=O)c2cnn3c2n(C)c2c(c3=O)C[N@H+](Cc3ccccc3)CC2)o1 ZINC000064836137 568969242 /nfs/dbraw/zinc/96/92/42/568969242.db2.gz LZESYFRHTVXMRO-UHFFFAOYSA-N 1 1 431.496 2.423 50 0 IEAAMO CC(=O)N1CCN(C(=O)[C@H](C2CCCC2)[NH+]2CCN(C(=O)c3cccc(C)c3)CC2)CC1 ZINC000036250400 568983783 /nfs/dbraw/zinc/98/37/83/568983783.db2.gz ITKSLLTZZSVXOU-QHCPKHFHSA-N 1 1 440.588 2.002 50 0 IEAAMO COCCN(C[C@@H]1C[N@H+](C[C@@H](O)Cc2ccccc2)CCO1)C(=O)c1ccc(F)cc1 ZINC000169678928 568990246 /nfs/dbraw/zinc/99/02/46/568990246.db2.gz DXXIMLDTPZASAX-GOTSBHOMSA-N 1 1 430.520 2.219 50 0 IEAAMO COCCN(C[C@@H]1C[N@@H+](C[C@@H](O)Cc2ccccc2)CCO1)C(=O)c1ccc(F)cc1 ZINC000169678928 568990249 /nfs/dbraw/zinc/99/02/49/568990249.db2.gz DXXIMLDTPZASAX-GOTSBHOMSA-N 1 1 430.520 2.219 50 0 IEAAMO CC(=O)N1CCN(C(=O)[C@@H](C2CCCC2)[NH+]2CCN(C(=O)Nc3ccccc3)CC2)CC1 ZINC000036310813 568996833 /nfs/dbraw/zinc/99/68/33/568996833.db2.gz XUHUICSWMVRREF-JOCHJYFZSA-N 1 1 441.576 2.086 50 0 IEAAMO CC(=O)N1CCN(C(=O)[C@H](C2CCCC2)[NH+]2CCN(C(=O)Nc3ccccc3)CC2)CC1 ZINC000036310814 568996912 /nfs/dbraw/zinc/99/69/12/568996912.db2.gz XUHUICSWMVRREF-QFIPXVFZSA-N 1 1 441.576 2.086 50 0 IEAAMO CCCC(=O)Nc1ccc(OCc2cc(C(=O)NCCC[NH+]3CCOCC3)no2)cc1 ZINC000065027072 569090132 /nfs/dbraw/zinc/09/01/32/569090132.db2.gz JCDXDUOWTDBDAU-UHFFFAOYSA-N 1 1 430.505 2.444 50 0 IEAAMO CCn1cc(-c2nn(C)cc2C(=O)NCc2ccccc2C[NH+]2CCN(CC)CC2)cn1 ZINC000170601013 569142777 /nfs/dbraw/zinc/14/27/77/569142777.db2.gz FQZFDPLVOFRLAQ-UHFFFAOYSA-N 1 1 435.576 2.371 50 0 IEAAMO O=C(C[C@H](O)c1cc(Cl)cc(Cl)c1)N1CCN(CC[N@H+]2CCCOCC2)CC1 ZINC000170600535 569142823 /nfs/dbraw/zinc/14/28/23/569142823.db2.gz JPVQHEIBDQHKOF-IBGZPJMESA-N 1 1 430.376 2.283 50 0 IEAAMO C[N@@H+](CCN(C1CC1)S(=O)(=O)c1cc2c(cc1Br)NC(=O)CO2)C1CC1 ZINC000170618794 569147133 /nfs/dbraw/zinc/14/71/33/569147133.db2.gz RSBNTWBWUPCTGJ-UHFFFAOYSA-N 1 1 444.351 2.027 50 0 IEAAMO Cc1cccc([C@H](C)CNC(=O)C(=O)Nc2ccc(OCC[NH+]3CCN(C)CC3)cc2)c1 ZINC000089669093 569161168 /nfs/dbraw/zinc/16/11/68/569161168.db2.gz JKJCKHNRCAPAQY-HXUWFJFHSA-N 1 1 438.572 2.480 50 0 IEAAMO O=C(CCCNC(=O)NC1CCCCC1)N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1CO ZINC000089834878 569165318 /nfs/dbraw/zinc/16/53/18/569165318.db2.gz NPHAJZFYFPBXQX-RBBKRZOGSA-N 1 1 430.593 2.398 50 0 IEAAMO CC(C)NC(=O)C[N@@H+](C)C1CCN(C(=O)CNC(=O)CC23CC4CC(CC(C4)C2)C3)CC1 ZINC000089885227 569166520 /nfs/dbraw/zinc/16/65/20/569166520.db2.gz QQAXIBSJOADNPR-UHFFFAOYSA-N 1 1 446.636 2.157 50 0 IEAAMO COC(=O)c1[nH]c2ccc(C)cc2c1NC(=O)C[N@H+]1C[C@H]2C[C@H](Cn3c(=O)cccc32)C1 ZINC000002101904 569179936 /nfs/dbraw/zinc/17/99/36/569179936.db2.gz ZNPBDNKXXGCIQY-JKSUJKDBSA-N 1 1 434.496 2.482 50 0 biogenic IEAAMO COC(=O)c1[nH]c2ccc(C)cc2c1NC(=O)C[N@@H+]1C[C@H]2C[C@H](Cn3c(=O)cccc32)C1 ZINC000002101904 569179938 /nfs/dbraw/zinc/17/99/38/569179938.db2.gz ZNPBDNKXXGCIQY-JKSUJKDBSA-N 1 1 434.496 2.482 50 0 biogenic IEAAMO C[C@H]1CCCC[N@H+]1CCCNC(=O)C(=O)Nc1ccc2nc3n(c(=O)c2c1)CCCCC3 ZINC000009407507 569182976 /nfs/dbraw/zinc/18/29/76/569182976.db2.gz ANIVOIHUXCSCBG-KRWDZBQOSA-N 1 1 439.560 2.442 50 0 IEAAMO COc1ccc(C[N@H+](C)CC(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3C)CC2)cc1 ZINC000013098926 569310039 /nfs/dbraw/zinc/31/00/39/569310039.db2.gz AFWPPASXTAQUIF-UHFFFAOYSA-N 1 1 445.585 2.277 50 0 IEAAMO COc1ccc(C[N@@H+](C)CC(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3C)CC2)cc1 ZINC000013098926 569310040 /nfs/dbraw/zinc/31/00/40/569310040.db2.gz AFWPPASXTAQUIF-UHFFFAOYSA-N 1 1 445.585 2.277 50 0 IEAAMO COc1ccc(S(=O)(=O)[C@H]2CS(=O)(=O)C[C@@H]2[NH2+]CCc2ccc(Cl)cc2)cc1 ZINC000013371722 569315118 /nfs/dbraw/zinc/31/51/18/569315118.db2.gz LTTVRLVIBLKIGY-OALUTQOASA-N 1 1 443.974 2.120 50 0 IEAAMO COc1cc2c(C(=O)NCCC[NH+]3CCOCC3)cn(CC(C)C)c(=O)c2cc1OC ZINC000020116478 569335135 /nfs/dbraw/zinc/33/51/35/569335135.db2.gz ZPTFHLRLKLQDPO-UHFFFAOYSA-N 1 1 431.533 2.127 50 0 IEAAMO CC[NH+]1CCN([C@H](c2cccs2)[C@@H](C)NC(=O)C(=O)NCc2ccc(OC)cc2)CC1 ZINC000020287944 569359290 /nfs/dbraw/zinc/35/92/90/569359290.db2.gz XQZOPPAVPCKYKH-UTKZUKDTSA-N 1 1 444.601 2.256 50 0 IEAAMO C[NH+]1CCN(C(=O)[C@H]2CCc3ccccc3N2S(=O)(=O)c2ccc(F)c(F)c2)CC1 ZINC000095949706 569376574 /nfs/dbraw/zinc/37/65/74/569376574.db2.gz KJWADIQAUHKUOV-HXUWFJFHSA-N 1 1 435.496 2.249 50 0 IEAAMO CC(=O)N1CC[NH+](Cc2ccc(NC(=O)c3ccc(Cn4ccccc4=O)o3)cc2)CC1 ZINC000095991537 569378140 /nfs/dbraw/zinc/37/81/40/569378140.db2.gz GCPMLLWFJCKIDZ-UHFFFAOYSA-N 1 1 434.496 2.406 50 0 IEAAMO COc1ccc(C(=O)N2CCO[C@H](C[NH+]3CCN(c4ccccc4OC)CC3)C2)cc1 ZINC000096280488 569389595 /nfs/dbraw/zinc/38/95/95/569389595.db2.gz GGNFFVBTXQWRIF-OAQYLSRUSA-N 1 1 425.529 2.367 50 0 IEAAMO O=C(NCCC[NH+]1CCOCC1)c1csc(N2CCN(c3ccc(F)cc3)CC2)n1 ZINC000096386420 569398569 /nfs/dbraw/zinc/39/85/69/569398569.db2.gz GLTLLYFRBXHIIU-UHFFFAOYSA-N 1 1 433.553 2.061 50 0 IEAAMO CCC[NH+]1CCN(C(=O)CSc2nc3ccc(NS(C)(=O)=O)cc3s2)CC1 ZINC000096399507 569400071 /nfs/dbraw/zinc/40/00/71/569400071.db2.gz QESYDLZNBZFXKW-UHFFFAOYSA-N 1 1 428.605 2.314 50 0 IEAAMO COc1ccc2[nH]cc(/C=C(\NC(=O)c3ccccc3)C(=O)NN3CC[NH+](C)CC3)c2c1 ZINC000215697381 569412484 /nfs/dbraw/zinc/41/24/84/569412484.db2.gz CZANOEDLTJMLEZ-HMAPJEAMSA-N 1 1 433.512 2.226 50 0 IEAAMO CN1C(=O)N(C)C(=O)C2(Cc3ccccc3N3CC[N@@H+](C/C=C/c4ccccc4)C[C@@H]32)C1=O ZINC000057110981 569429529 /nfs/dbraw/zinc/42/95/29/569429529.db2.gz JKLVVJFWRXMIGO-YVWYTEFXSA-N 1 1 444.535 2.484 50 0 IEAAMO COc1cc2c(cc1OC)CC(=O)N(CC(=O)NC[C@@H]1CCC[N@H+]3CCCC[C@@H]13)C=C2 ZINC000226848524 569429726 /nfs/dbraw/zinc/42/97/26/569429726.db2.gz IPOAWKNNMBGULF-ICSRJNTNSA-N 1 1 427.545 2.440 50 0 IEAAMO Cc1nc(S(=O)(=O)NCCC(=O)NCc2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)cn1C ZINC000057265520 569430314 /nfs/dbraw/zinc/43/03/14/569430314.db2.gz DGNDQAQGHQJPSR-KRWDZBQOSA-N 1 1 447.605 2.088 50 0 IEAAMO COC(=O)c1ccc(OC[C@H](O)C[N@@H+]2CCc3cc(OC)c(OC)cc3C2)c(OC)c1 ZINC000057527251 569439161 /nfs/dbraw/zinc/43/91/61/569439161.db2.gz PNRBWPZWEWBQFY-GOSISDBHSA-N 1 1 431.485 2.297 50 0 IEAAMO COC(=O)c1ccc(OC[C@H](O)C[N@H+]2CCc3cc(OC)c(OC)cc3C2)c(OC)c1 ZINC000057527251 569439162 /nfs/dbraw/zinc/43/91/62/569439162.db2.gz PNRBWPZWEWBQFY-GOSISDBHSA-N 1 1 431.485 2.297 50 0 IEAAMO COc1ccc(CCN2C[C@H](C(=O)NC[C@H]3CCC[N@H+]4CCCC[C@@H]34)CC2=O)cc1OC ZINC000230205083 569440070 /nfs/dbraw/zinc/44/00/70/569440070.db2.gz BILVACWSJNEWCP-NJYVYQBISA-N 1 1 443.588 2.476 50 0 biogenic IEAAMO Cc1c(C(=O)NCc2ccccc2C[NH+]2C[C@H](C)O[C@@H](C)C2)cnn1-c1ccc(=O)[nH]n1 ZINC000057644082 569440535 /nfs/dbraw/zinc/44/05/35/569440535.db2.gz LAGTWCWUHQVLDL-HOTGVXAUSA-N 1 1 436.516 2.216 50 0 IEAAMO Cn1c(=O)c(C(=O)C[NH+]2CCC(Cc3ccccc3)CC2)c(N)n(Cc2ccccc2)c1=O ZINC000003280156 569443873 /nfs/dbraw/zinc/44/38/73/569443873.db2.gz AJJGUASXGVUEGC-UHFFFAOYSA-N 1 1 446.551 2.315 50 0 IEAAMO COc1ccc(NC(=O)C[NH+]2CCC(C(=O)NCCc3ccncc3)CC2)cc1OC ZINC000038581052 569464114 /nfs/dbraw/zinc/46/41/14/569464114.db2.gz BPYYNRIOHDGNDV-UHFFFAOYSA-N 1 1 426.517 2.108 50 0 IEAAMO CCOCCN1[NH+]=C(C)[C@H](C)n2c1nc1c2c(=O)n(Cc2ccc(Cl)cc2)c(=O)n1C ZINC000008706269 569470500 /nfs/dbraw/zinc/47/05/00/569470500.db2.gz KLVCCLVKZLLOHT-AWEZNQCLSA-N 1 1 444.923 2.392 50 0 IEAAMO C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)c1ccc2c(c1)NC(=O)[C@H](N1CCOCC1)S2 ZINC000008812848 569476561 /nfs/dbraw/zinc/47/65/61/569476561.db2.gz GVIGSQSTLMALRN-ZMPRRUGASA-N 1 1 432.590 2.382 50 0 IEAAMO Cc1[nH+]ccn1-c1cc(CNC(=O)Nc2ccc(N3CCNC(=O)C3)c(Cl)c2)ccn1 ZINC000040121838 569489607 /nfs/dbraw/zinc/48/96/07/569489607.db2.gz OVQCJPUTCAZHEK-UHFFFAOYSA-N 1 1 439.907 2.487 50 0 IEAAMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)c1ccc(CN2CC(=O)N3CCC[C@H]3C2=O)cc1 ZINC000245257636 569501565 /nfs/dbraw/zinc/50/15/65/569501565.db2.gz AVQYILNXHTYXMS-NQIIRXRSSA-N 1 1 426.561 2.014 50 0 IEAAMO C[C@H]1CCC[N@@H+](CCCNC(=O)c2nc(Cn3nc(-c4ccccc4)ccc3=O)no2)C1 ZINC000040455247 569506549 /nfs/dbraw/zinc/50/65/49/569506549.db2.gz GJKTUFZOMIQYKB-KRWDZBQOSA-N 1 1 436.516 2.193 50 0 IEAAMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)Cn1ncn2nc(-c3cccs3)cc2c1=O ZINC000009287340 569519235 /nfs/dbraw/zinc/51/92/35/569519235.db2.gz HWNSDSNRSPJFFW-INIZCTEOSA-N 1 1 428.562 2.390 50 0 IEAAMO Cc1c(C(=O)N2CCOC[C@@H]2C)nnn1-c1cccc2c1CC[N@@H+](Cc1ccncc1)C2 ZINC000070038695 569529386 /nfs/dbraw/zinc/52/93/86/569529386.db2.gz NFMITORPNIIZAD-KRWDZBQOSA-N 1 1 432.528 2.390 50 0 IEAAMO CCc1nn2c(nc(C[NH+]3CCC(C(=O)Nc4ccc5c(c4)OCO5)CC3)cc2=O)s1 ZINC000009515780 569543401 /nfs/dbraw/zinc/54/34/01/569543401.db2.gz OFJJIESBBSNSIR-UHFFFAOYSA-N 1 1 441.513 2.293 50 0 IEAAMO C[C@H](C(=O)Nc1ccc(OC(F)(F)F)cc1)[NH+]1CCC(C(=O)N2CCOCC2)CC1 ZINC000010054166 569577582 /nfs/dbraw/zinc/57/75/82/569577582.db2.gz VGHYPXGSDHQJEQ-CQSZACIVSA-N 1 1 429.439 2.483 50 0 IEAAMO C[N@H+](CC(=O)N1CCN(c2ccccc2F)CC1)Cc1ccccc1N1CCOCC1 ZINC000008192757 132281072 /nfs/dbraw/zinc/28/10/72/132281072.db2.gz BIIYNVQHQCYWRA-UHFFFAOYSA-N 1 1 426.536 2.443 50 0 IEAAMO C[N@@H+](CC(=O)N1CCN(c2ccccc2F)CC1)Cc1ccccc1N1CCOCC1 ZINC000008192757 132281074 /nfs/dbraw/zinc/28/10/74/132281074.db2.gz BIIYNVQHQCYWRA-UHFFFAOYSA-N 1 1 426.536 2.443 50 0 IEAAMO CC(C)[N@@H+]1CCNC(=O)[C@H]1CC(=O)N1CCC(O)(c2cccc(C(F)(F)F)c2)CC1 ZINC000012612705 519684914 /nfs/dbraw/zinc/68/49/14/519684914.db2.gz KIKCJSDNHZPVKK-QGZVFWFLSA-N 1 1 427.467 2.114 50 0 IEAAMO CC(C)[N@H+]1CCNC(=O)[C@H]1CC(=O)N1CCC(O)(c2cccc(C(F)(F)F)c2)CC1 ZINC000012612705 519684915 /nfs/dbraw/zinc/68/49/15/519684915.db2.gz KIKCJSDNHZPVKK-QGZVFWFLSA-N 1 1 427.467 2.114 50 0 IEAAMO CC(C)[C@H](NS(C)(=O)=O)c1nnc2n1CC[N@H+](Cc1cccc3cccnc31)CC2 ZINC000020455232 519821435 /nfs/dbraw/zinc/82/14/35/519821435.db2.gz GREKQHBTQBTBOQ-IBGZPJMESA-N 1 1 428.562 2.131 50 0 IEAAMO CCOC(=O)C1C(CN2CC[NH+]([C@@H](C)CC)CC2)=NC(=O)N[C@@H]1c1ccc(OC)cc1 ZINC000020530939 520515403 /nfs/dbraw/zinc/51/54/03/520515403.db2.gz QQMKNHNADMXZJW-HRAATJIYSA-N 1 1 430.549 2.282 50 0 IEAAMO CC[NH+](CC)CCN(CCC(=O)N1CCNCC1)C(=O)c1ccc(Br)cc1 ZINC000035421556 520644927 /nfs/dbraw/zinc/64/49/27/520644927.db2.gz SLXSHAMSPKKWIV-UHFFFAOYSA-N 1 1 439.398 2.055 50 0 IEAAMO CCOC(=O)N1CCC([N@H+]2CCC[C@H](CNS(=O)(=O)c3ccc(OC)cc3)C2)CC1 ZINC000012385159 520925980 /nfs/dbraw/zinc/92/59/80/520925980.db2.gz TWKUGAAVBDYBSG-QGZVFWFLSA-N 1 1 439.578 2.306 50 0 IEAAMO CCCCc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H]([C@H](C)O)[NH2+][C@]32C(=O)Nc3ccccc32)cc1 ZINC000020610656 521274240 /nfs/dbraw/zinc/27/42/40/521274240.db2.gz QWZGSPOLCCGYFU-FYEULFKYSA-N 1 1 433.508 2.335 50 0 biogenic IEAAMO COc1cc([C@H]2NC(=[NH2+])Nc3nc4cc5c(cc4n32)OCCCO5)cc(OC)c1OC ZINC000012507749 522962120 /nfs/dbraw/zinc/96/21/20/522962120.db2.gz IPKYDCIGLZAXTC-IBGZPJMESA-N 1 1 425.445 2.320 50 0 IEAAMO COCCN(C[C@H]1CCC[N@H+](C2Cc3ccccc3C2)C1)C(=O)CSc1nncn1C ZINC000012477162 523733968 /nfs/dbraw/zinc/73/39/68/523733968.db2.gz UVQSIHCDCBLULR-SFHVURJKSA-N 1 1 443.617 2.262 50 0 IEAAMO C[N@H+]1CCCN(C(=O)c2cn(CCNC(=O)Cc3ccc(-c4ccccc4)cc3)nn2)CC1 ZINC000012452890 523806374 /nfs/dbraw/zinc/80/63/74/523806374.db2.gz WMKYQJFWGFFKRQ-UHFFFAOYSA-N 1 1 446.555 2.082 50 0 IEAAMO C[NH+]1CCN(C(=O)C[C@H]2CSc3nc4c(cnn4-c4cccc(Cl)c4)c(=O)n32)CC1 ZINC000022768371 523875917 /nfs/dbraw/zinc/87/59/17/523875917.db2.gz VPUNPGWNHZWKML-HNNXBMFYSA-N 1 1 444.948 2.047 50 0 IEAAMO COc1ccc(CN2CCN(C(C)=O)CC2)cc1OC[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000012706595 524031376 /nfs/dbraw/zinc/03/13/76/524031376.db2.gz KHCYNSSHGDKATH-HSZRJFAPSA-N 1 1 441.572 2.231 50 0 IEAAMO COc1ccc(CN2CCN(c3ccccn3)CC2)cc1OC[C@H](O)C[N@@H+](C)C(C)C ZINC000020449709 524033925 /nfs/dbraw/zinc/03/39/25/524033925.db2.gz WWSCOWDDLFNYLR-OAQYLSRUSA-N 1 1 428.577 2.492 50 0 IEAAMO C[C@H]1CCC[N@@H+](CCCNC(=O)Cn2c3ccccc3n(Cc3ccccc3)c(=O)c2=O)C1 ZINC000021944401 524088165 /nfs/dbraw/zinc/08/81/65/524088165.db2.gz KXDQPJKUFBYIGD-FQEVSTJZSA-N 1 1 448.567 2.450 50 0 IEAAMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)c1ccc(CN2CC(=O)N3CCC[C@@H]3C2=O)cc1 ZINC000021527222 524103807 /nfs/dbraw/zinc/10/38/07/524103807.db2.gz AVQYILNXHTYXMS-WIYYLYMNSA-N 1 1 426.561 2.014 50 0 IEAAMO C[C@@H](C(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)[N@@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000012858677 524124516 /nfs/dbraw/zinc/12/45/16/524124516.db2.gz HEFXRTINFPMTAU-JKSUJKDBSA-N 1 1 433.496 2.182 50 0 IEAAMO C[C@@H](C(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)[N@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000012858677 524124528 /nfs/dbraw/zinc/12/45/28/524124528.db2.gz HEFXRTINFPMTAU-JKSUJKDBSA-N 1 1 433.496 2.182 50 0 IEAAMO COc1ccccc1/C=C/C[N@@H+]1CCc2nnc([C@@H](C)NC(=O)C3CCOCC3)n2CC1 ZINC000012164128 524319234 /nfs/dbraw/zinc/31/92/34/524319234.db2.gz GPBTZDUJXKWEQO-SUQGKYDKSA-N 1 1 439.560 2.462 50 0 IEAAMO COc1ccccc1CNC(=O)[C@H](CCSC)NC(=O)[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000035485170 524477220 /nfs/dbraw/zinc/47/72/20/524477220.db2.gz UGFKKUYAHVXETN-PMACEKPBSA-N 1 1 427.570 2.264 50 0 biogenic IEAAMO C[C@@H]1C[NH+](C(C)(C)CNC(=O)c2ccc(Cl)c(S(=O)(=O)NC3CC3)c2)C[C@@H](C)O1 ZINC000021063310 524890846 /nfs/dbraw/zinc/89/08/46/524890846.db2.gz WWIMFZOAJZVSQU-ZIAGYGMSSA-N 1 1 443.997 2.398 50 0 IEAAMO COc1ccc(OCC[NH+]2CCN([C@@H](C(=O)N3CCOCC3)c3ccccc3)CC2)cc1 ZINC000022787511 524955644 /nfs/dbraw/zinc/95/56/44/524955644.db2.gz WHNJTDQPNCCRBQ-XMMPIXPASA-N 1 1 439.556 2.292 50 0 IEAAMO CS(=O)(=O)N(CC(=O)N1CC[NH+](Cc2ccccc2)CC1)Cc1ccc(Cl)cc1 ZINC000020481400 525149012 /nfs/dbraw/zinc/14/90/12/525149012.db2.gz YWDBELLIHRYTCM-UHFFFAOYSA-N 1 1 435.977 2.446 50 0 IEAAMO C[C@]1(CSc2ccccc2C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)NC(=O)NC1=O ZINC000012927744 525277533 /nfs/dbraw/zinc/27/75/33/525277533.db2.gz BNFWOLJKFQFEDZ-UZUQRXQVSA-N 1 1 438.553 2.381 50 0 IEAAMO Cc1cc(O)c([C@@H](c2cccc(F)c2)N2CC[NH+](CCO)CC2)c(=O)n1Cc1ccco1 ZINC000022698220 525324797 /nfs/dbraw/zinc/32/47/97/525324797.db2.gz ZSPUSGDSGVCZOY-HSZRJFAPSA-N 1 1 441.503 2.342 50 0 IEAAMO COc1cccc(-n2c(CNC(=O)[C@@H]3CCCCN3C)nnc2SCC[NH+](C)C)c1 ZINC000012148736 525745733 /nfs/dbraw/zinc/74/57/33/525745733.db2.gz IPGRBFXRHZGBOE-SFHVURJKSA-N 1 1 432.594 2.030 50 0 IEAAMO C[C@@]1(c2ccc3c(c2)OCCO3)NC(=O)N(CN2CC[NH+](Cc3cccs3)CC2)C1=O ZINC000022804774 525891614 /nfs/dbraw/zinc/89/16/14/525891614.db2.gz RBVTWNMWMRQBFN-QFIPXVFZSA-N 1 1 442.541 2.062 50 0 IEAAMO O=C(NCC[N@H+]1CCC[C@H](O)C1)c1ccc(OC2CCN(Cc3ccccn3)CC2)cc1 ZINC000012308477 526312803 /nfs/dbraw/zinc/31/28/03/526312803.db2.gz JGSDATWOWVEXEJ-QFIPXVFZSA-N 1 1 438.572 2.312 50 0 IEAAMO O=C(NCC[N@@H+]1CCC[C@H](O)C1)c1ccc(OC2CCN(Cc3ccccn3)CC2)cc1 ZINC000012308477 526312812 /nfs/dbraw/zinc/31/28/12/526312812.db2.gz JGSDATWOWVEXEJ-QFIPXVFZSA-N 1 1 438.572 2.312 50 0 IEAAMO O=C(CC[C@@H]1CCCN(C(=O)CCN2CCCO2)C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020999792 526553870 /nfs/dbraw/zinc/55/38/70/526553870.db2.gz LGFFDGLGZXUNTG-QHCPKHFHSA-N 1 1 442.604 2.377 50 0 IEAAMO O=C(c1n[nH]c2c1CCC2)N1CCC[C@@H]([NH+]2CCN(Cc3ccc4c(c3)OCO4)CC2)C1 ZINC000020543159 526912542 /nfs/dbraw/zinc/91/25/42/526912542.db2.gz SVBSAOVCYGNDKT-GOSISDBHSA-N 1 1 437.544 2.050 50 0 IEAAMO Cn1cc(C[NH+]2CCC(C(=O)NCCN3CCN(C)CC3)CC2)c2cc(Cl)ccc21 ZINC000035562284 527197152 /nfs/dbraw/zinc/19/71/52/527197152.db2.gz ALWDFFJONQZSFI-UHFFFAOYSA-N 1 1 432.012 2.407 50 0 IEAAMO O=C(NCCC[NH+]1CCOCC1)[C@H]1Cc2ccccc2N2CCN(c3ccccc3)C[C@@H]12 ZINC000035894003 527671769 /nfs/dbraw/zinc/67/17/69/527671769.db2.gz ZRSYTJLJVMBORX-ZCYQVOJMSA-N 1 1 434.584 2.393 50 0 IEAAMO COc1ccc(Cl)cc1NC(=O)CCc1nnc2ccc(N3CC[NH+](C)CC3)nn21 ZINC000009431032 536574260 /nfs/dbraw/zinc/57/42/60/536574260.db2.gz LUIYUUKWBOYLAL-UHFFFAOYSA-N 1 1 429.912 2.109 50 0 IEAAMO COc1cc2[nH+]c(N3CCN(C(=O)COc4ccc(C)cc4)CC3)nc(N)c2cc1OC ZINC000000638545 536894960 /nfs/dbraw/zinc/89/49/60/536894960.db2.gz XLNLKQMAAVEWSJ-UHFFFAOYSA-N 1 1 437.500 2.265 50 0 IEAAMO CC[C@H](O)C[N@@H+]1CCO[C@H](CN(CC(C)C)C(=O)c2cc(OC)c(OC)c(OC)c2)C1 ZINC000034691319 555803702 /nfs/dbraw/zinc/80/37/02/555803702.db2.gz QZDGCCPUTONRPH-OALUTQOASA-N 1 1 438.565 2.282 50 0 IEAAMO CC[C@H](O)C[N@H+]1CCO[C@H](CN(CC(C)C)C(=O)c2cc(OC)c(OC)c(OC)c2)C1 ZINC000034691319 555803706 /nfs/dbraw/zinc/80/37/06/555803706.db2.gz QZDGCCPUTONRPH-OALUTQOASA-N 1 1 438.565 2.282 50 0 IEAAMO COc1ccccc1CNCc1ccc(OC[C@H](O)C[NH+]2CCC(O)CC2)c(OC)c1 ZINC000011813313 556356303 /nfs/dbraw/zinc/35/63/03/556356303.db2.gz XLTXVCJEUJGFER-OAQYLSRUSA-N 1 1 430.545 2.190 50 0 IEAAMO COc1cc(C[NH2+]CCOc2cccnc2)ccc1OC[C@H](O)CN1CCSCC1 ZINC000011817330 556359645 /nfs/dbraw/zinc/35/96/45/556359645.db2.gz ZSVKRWIMIMHLPO-LJQANCHMSA-N 1 1 433.574 2.047 50 0 IEAAMO CCOC(=O)C1=C(C[NH2+][C@H](C)c2ccc(S(C)(=O)=O)cc2)NC(=O)N[C@@H]1c1ccco1 ZINC000032797387 556363979 /nfs/dbraw/zinc/36/39/79/556363979.db2.gz LNUJTRPFPWAUNJ-BFUOFWGJSA-N 1 1 447.513 2.205 50 0 IEAAMO COc1ccc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1S(=O)(=O)NC1CC1 ZINC000014093330 556365655 /nfs/dbraw/zinc/36/56/55/556365655.db2.gz ZBDVYWTZVDFYPT-LJQANCHMSA-N 1 1 429.542 2.140 50 0 IEAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)c1ccc(OC2CCN(S(C)(=O)=O)CC2)c(Cl)c1 ZINC000012050955 556392542 /nfs/dbraw/zinc/39/25/42/556392542.db2.gz JNFHBHBLYAFVIJ-MRXNPFEDSA-N 1 1 443.997 2.357 50 0 IEAAMO 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ZINC000100156468 557244888 /nfs/dbraw/zinc/24/48/88/557244888.db2.gz ZGMKMFWEBNCYCE-FQEVSTJZSA-N 1 1 441.528 2.220 50 0 IEAAMO COc1ccc([C@@H](CNc2c(=O)c(=O)c2N2CCN(c3ccccc3)CC2)[NH+](C)C)cc1 ZINC000101698968 557294014 /nfs/dbraw/zinc/29/40/14/557294014.db2.gz OMKJXSCXIUUEKP-OAQYLSRUSA-N 1 1 434.540 2.333 50 0 IEAAMO CN(CC(=O)N1CC[NH+](Cc2ccccc2)CC1)S(=O)(=O)c1ccc2c(c1)CCC2 ZINC000014160216 557311821 /nfs/dbraw/zinc/31/18/21/557311821.db2.gz WETOETGXNWLUGO-UHFFFAOYSA-N 1 1 427.570 2.140 50 0 IEAAMO CN(C)S(=O)(=O)N(CC(=O)NCC[N@@H+](C)Cc1ccccc1)c1ccc(Cl)cc1 ZINC000033085119 557324301 /nfs/dbraw/zinc/32/43/01/557324301.db2.gz YGZZIIBWOOCJKW-UHFFFAOYSA-N 1 1 438.981 2.201 50 0 IEAAMO CC(C)[C@@H](CNC(=O)c1ccc(S(=O)(=O)N2CCC[C@H](C)C2)cc1)[NH+]1CCOCC1 ZINC000109007858 557545052 /nfs/dbraw/zinc/54/50/52/557545052.db2.gz HTCGVNZMJUGVGO-GHTZIAJQSA-N 1 1 437.606 2.194 50 0 IEAAMO C[N@@H+](C[C@@H](O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1Cl)C1CCCCC1 ZINC000003293374 562933819 /nfs/dbraw/zinc/93/38/19/562933819.db2.gz LFWAPNUUBLZBSZ-QGZVFWFLSA-N 1 1 446.997 2.365 50 0 IEAAMO CC[NH+]1CCN(c2nnc(-n3cccc3C(=O)NCc3ccccc3OC)s2)CC1 ZINC000008619162 562959828 /nfs/dbraw/zinc/95/98/28/562959828.db2.gz ZTAXMJYBQRDILG-UHFFFAOYSA-N 1 1 426.546 2.409 50 0 IEAAMO C[C@@H]1C[C@H](C)CN(S(=O)(=O)N2CCC[C@@H](C(=O)NCCC[N@H+]3CCCC[C@H]3C)C2)C1 ZINC000008812471 562964423 /nfs/dbraw/zinc/96/44/23/562964423.db2.gz GBFDVYUKMCIYNN-PLACYPQZSA-N 1 1 442.670 2.302 50 0 IEAAMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)[C@@H]1CCCN(c2nn3c(nc(C)cc3=O)s2)C1 ZINC000015943635 563020004 /nfs/dbraw/zinc/02/00/04/563020004.db2.gz PJAUSWBDJMXFKM-MSOLQXFVSA-N 1 1 446.621 2.447 50 0 IEAAMO O=C(NCCC[NH+]1CCOCC1)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1 ZINC000025330007 563027388 /nfs/dbraw/zinc/02/73/88/563027388.db2.gz TXNFECKXUXVMRY-UHFFFAOYSA-N 1 1 443.997 2.357 50 0 IEAAMO COCCN1CCN(Cc2ccc(OC[C@H](O)C[N@H+](C)C3CCCCC3)c(OC)c2)CC1 ZINC000023373283 568613562 /nfs/dbraw/zinc/61/35/62/568613562.db2.gz DBJCTWKIVYVCBC-HSZRJFAPSA-N 1 1 449.636 2.463 50 0 IEAAMO COCCN1CCN(Cc2ccc(OC[C@H](O)C[N@@H+](C)C3CCCCC3)c(OC)c2)CC1 ZINC000023373283 568613563 /nfs/dbraw/zinc/61/35/63/568613563.db2.gz DBJCTWKIVYVCBC-HSZRJFAPSA-N 1 1 449.636 2.463 50 0 IEAAMO Cn1c(=O)c(C(=O)C[N@@H+](C)[C@H]2CCCc3ccccc32)c(N)n(Cc2ccccc2)c1=O ZINC000018935301 568627275 /nfs/dbraw/zinc/62/72/75/568627275.db2.gz UTTFZEWEQWDMQM-FQEVSTJZSA-N 1 1 432.524 2.370 50 0 IEAAMO Cc1nnc([C@@H]2CCC[N@H+]2CCC(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2Cl)o1 ZINC000084291443 568796803 /nfs/dbraw/zinc/79/68/03/568796803.db2.gz HHCLBWMNYHZVKT-INIZCTEOSA-N 1 1 441.941 2.447 50 0 IEAAMO Cc1nnc([C@@H]2CCC[N@@H+]2CCC(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2Cl)o1 ZINC000084291443 568796805 /nfs/dbraw/zinc/79/68/05/568796805.db2.gz HHCLBWMNYHZVKT-INIZCTEOSA-N 1 1 441.941 2.447 50 0 IEAAMO O=C(CCc1nnc2ccc(N3CCCCC3)nn21)N1CC[NH+](Cc2ccccc2)CC1 ZINC000015678864 568805428 /nfs/dbraw/zinc/80/54/28/568805428.db2.gz NOMYYYZDENAPJQ-UHFFFAOYSA-N 1 1 433.560 2.392 50 0 IEAAMO C[C@@H]1C[N@H+](CCCNC(=O)CN(C)CC(=O)Nc2ccc(Cl)c(Cl)c2)C[C@H](C)O1 ZINC000026333330 568876937 /nfs/dbraw/zinc/87/69/37/568876937.db2.gz BUQZFYRCHPHTNZ-GASCZTMLSA-N 1 1 445.391 2.479 50 0 IEAAMO COc1ccc(C[N@@H+](CCN2CCOCC2)C[C@@H](O)COc2ccccc2)cc1OC ZINC000036095563 568951425 /nfs/dbraw/zinc/95/14/25/568951425.db2.gz DFTOAOTXKVNMBJ-OAQYLSRUSA-N 1 1 430.545 2.278 50 0 IEAAMO COCCN(C[C@H]1C[N@H+](C[C@@H](O)Cc2ccccc2)CCO1)C(=O)c1ccc(OC)cc1 ZINC000169680626 568991955 /nfs/dbraw/zinc/99/19/55/568991955.db2.gz CMIGGOHWXRUVPC-LADGPHEKSA-N 1 1 442.556 2.088 50 0 IEAAMO COCCN(C[C@H]1C[N@@H+](C[C@@H](O)Cc2ccccc2)CCO1)C(=O)c1ccc(OC)cc1 ZINC000169680626 568991957 /nfs/dbraw/zinc/99/19/57/568991957.db2.gz CMIGGOHWXRUVPC-LADGPHEKSA-N 1 1 442.556 2.088 50 0 IEAAMO O=C(NC[C@@H]1CCCO1)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000036548234 569117334 /nfs/dbraw/zinc/11/73/34/569117334.db2.gz MOTHUJKQNSAOTL-NKKJXINNSA-N 1 1 446.551 2.205 50 0 IEAAMO COc1ccc(S(=O)(=O)N2CCC(C(=O)NC[C@H]3CCC[N@H+]4CCCC[C@H]34)CC2)cc1 ZINC000036585443 569119958 /nfs/dbraw/zinc/11/99/58/569119958.db2.gz QZJLAZRTFVNMFE-DENIHFKCSA-N 1 1 449.617 2.477 50 0 IEAAMO COc1ccc(C)cc1S(=O)(=O)[C@@H]1CS(=O)(=O)C[C@H]1[NH2+]CCCc1ccccc1 ZINC000036589722 569121197 /nfs/dbraw/zinc/12/11/97/569121197.db2.gz OIRMZXYQVMFERF-WIYYLYMNSA-N 1 1 437.583 2.165 50 0 IEAAMO COc1cc([C@@H](CC(=O)N[C@@H]2C[NH+]3CCC2CC3)c2oc(C)cc(=O)c2O)ccc1O ZINC000524730750 569126059 /nfs/dbraw/zinc/12/60/59/569126059.db2.gz VZAONEAAWRGSAA-IAGOWNOFSA-N 1 1 428.485 2.100 50 0 biogenic IEAAMO COc1ccc(CCC(=O)NCC[N@H+]2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc1OC ZINC000524731426 569126440 /nfs/dbraw/zinc/12/64/40/569126440.db2.gz XKZYARUMHLYEHD-MOPGFXCFSA-N 1 1 425.529 2.034 50 0 biogenic IEAAMO Cn1cc([C@H](CNC(=O)C(=O)Nc2cc(C(C)(C)C)nn2-c2ccccc2)[NH+](C)C)cn1 ZINC000089694681 569161371 /nfs/dbraw/zinc/16/13/71/569161371.db2.gz UCJOZGPBQDULST-SFHVURJKSA-N 1 1 437.548 2.261 50 0 IEAAMO CC(C)[C@H](NC(=O)CN1CCN(c2[nH+]ccn2C)CC1)c1ccc2c(c1)OCCCO2 ZINC000089801728 569164991 /nfs/dbraw/zinc/16/49/91/569164991.db2.gz MEXULSRPIBCDQX-QFIPXVFZSA-N 1 1 427.549 2.217 50 0 IEAAMO O=C(NCCCC[N@@H+]1CCO[C@H](c2ccccc2)C1)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000017178446 569175554 /nfs/dbraw/zinc/17/55/54/569175554.db2.gz CASWJGHCFNKICO-QFIPXVFZSA-N 1 1 439.512 2.366 50 0 IEAAMO O=C(NCCCC[N@H+]1CCO[C@H](c2ccccc2)C1)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000017178446 569175555 /nfs/dbraw/zinc/17/55/55/569175555.db2.gz CASWJGHCFNKICO-QFIPXVFZSA-N 1 1 439.512 2.366 50 0 IEAAMO COc1ccc(CCN2C(=O)N[C@H](CC(=O)NC[C@@H]3CCC[N@H+]4CCCC[C@H]34)C2=O)cc1 ZINC000252539454 569190149 /nfs/dbraw/zinc/19/01/49/569190149.db2.gz NZYNUBLWEHOQJT-CEWLAPEOSA-N 1 1 442.560 2.133 50 0 IEAAMO CC[N@H+]1CCC[C@H]1CNC(=O)CC[C@H]1NC(=O)N(CCc2c[nH]c3ccccc23)C1=O ZINC000223237503 569259056 /nfs/dbraw/zinc/25/90/56/569259056.db2.gz YLYGPNWDUGLILD-FXAWDEMLSA-N 1 1 425.533 2.012 50 0 IEAAMO COc1cc([C@@H](CC(N)=O)c2oc(C[NH+]3CCCCC3)cc(=O)c2O)cc(OC)c1O ZINC000253409443 569265620 /nfs/dbraw/zinc/26/56/20/569265620.db2.gz LVQAYZYVCLQNJL-OAHLLOKOSA-N 1 1 432.473 2.061 50 0 biogenic IEAAMO COc1cc([C@@H](CC(N)=O)c2oc(C[NH+]3CCCCC3)cc(=O)c2O)cc2c1OCO2 ZINC000253415130 569266297 /nfs/dbraw/zinc/26/62/97/569266297.db2.gz ZSHKXAPIENXKCM-OAHLLOKOSA-N 1 1 430.457 2.076 50 0 biogenic IEAAMO NS(=O)(=O)c1ccc(C[NH2+][C@H]2CC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1 ZINC000018250451 569316278 /nfs/dbraw/zinc/31/62/78/569316278.db2.gz HHWVOHAZSVPYBX-HNNXBMFYSA-N 1 1 428.297 2.063 50 0 IEAAMO C[C@@H]1C[C@H](NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)C[N@@H+]1Cc1ccccc1 ZINC000079100038 569325536 /nfs/dbraw/zinc/32/55/36/569325536.db2.gz QELNPCHHPKVLMX-KNQAVFIVSA-N 1 1 429.586 2.460 50 0 IEAAMO C[C@@H]1C[C@H](NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)C[N@H+]1Cc1ccccc1 ZINC000079100038 569325537 /nfs/dbraw/zinc/32/55/37/569325537.db2.gz QELNPCHHPKVLMX-KNQAVFIVSA-N 1 1 429.586 2.460 50 0 IEAAMO C[C@@H]1C[C@@H](NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)C[N@@H+]1Cc1ccccc1 ZINC000079100051 569325552 /nfs/dbraw/zinc/32/55/52/569325552.db2.gz QELNPCHHPKVLMX-DENIHFKCSA-N 1 1 429.586 2.460 50 0 IEAAMO C[C@@H]1C[C@@H](NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)C[N@H+]1Cc1ccccc1 ZINC000079100051 569325553 /nfs/dbraw/zinc/32/55/53/569325553.db2.gz QELNPCHHPKVLMX-DENIHFKCSA-N 1 1 429.586 2.460 50 0 IEAAMO COc1cc2c(cc1OC)CN(Cc1c(O)c(=O)cc(C[NH+]3CCSCC3)n1C)CC2 ZINC000079194120 569328265 /nfs/dbraw/zinc/32/82/65/569328265.db2.gz KQFPBKJKKKAJMJ-UHFFFAOYSA-N 1 1 445.585 2.215 50 0 biogenic IEAAMO CN1CC[NH+](CCCNC(=O)[C@H]2c3ccccc3C(=O)N(C)[C@H]2c2cccs2)CC1 ZINC000020116013 569335114 /nfs/dbraw/zinc/33/51/14/569335114.db2.gz DPSSIGCZXFYBNO-SFTDATJTSA-N 1 1 426.586 2.412 50 0 IEAAMO O=C(CCCCn1c(=O)[nH]c2ccsc2c1=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020116638 569335125 /nfs/dbraw/zinc/33/51/25/569335125.db2.gz QZJMTLNEZAXKQT-UHFFFAOYSA-N 1 1 426.542 2.266 50 0 IEAAMO CCCCC(=O)Nc1cc2c([nH]cnc2=[NH+]c2ccc(OC)cc2)n(CC(=O)OC)c1=O ZINC000390834817 569354494 /nfs/dbraw/zinc/35/44/94/569354494.db2.gz CXRUHRBWFCXWBR-UHFFFAOYSA-N 1 1 439.472 2.267 50 0 IEAAMO CC[NH+]1CCN([C@@H]2CC(=O)N(c3ccc(Br)cc3Br)C2=O)CC1 ZINC000095483544 569374436 /nfs/dbraw/zinc/37/44/36/569374436.db2.gz KWJPBHNYJALXFU-CQSZACIVSA-N 1 1 445.155 2.481 50 0 IEAAMO Cc1cc(F)ccc1S(=O)(=O)N1c2ccccc2CC[C@@H]1C(=O)N1CC[NH+](C)CC1 ZINC000095953823 569376686 /nfs/dbraw/zinc/37/66/86/569376686.db2.gz MWFMPKIQJYABQY-HXUWFJFHSA-N 1 1 431.533 2.418 50 0 IEAAMO CC[C@@]1(c2ccc(NC(=O)C(C)(C)C[N@@H+]3CCn4ccnc4C3)cc2)CCC(=O)NC1=O ZINC000095992995 569378293 /nfs/dbraw/zinc/37/82/93/569378293.db2.gz NXIMXACYUIIHKY-DEOSSOPVSA-N 1 1 437.544 2.448 50 0 IEAAMO CC[C@@]1(c2ccc(NC(=O)C(C)(C)C[N@H+]3CCn4ccnc4C3)cc2)CCC(=O)NC1=O ZINC000095992995 569378294 /nfs/dbraw/zinc/37/82/94/569378294.db2.gz NXIMXACYUIIHKY-DEOSSOPVSA-N 1 1 437.544 2.448 50 0 IEAAMO CCN(CC)S(=O)(=O)c1cccc(NC(=O)C[N@@H+]2CC[C@@H](C(C)(C)C)[C@H](O)C2)c1 ZINC000095995992 569378763 /nfs/dbraw/zinc/37/87/63/569378763.db2.gz GYGCGVYJJXPUMQ-RTBURBONSA-N 1 1 425.595 2.385 50 0 IEAAMO CCN(CC)S(=O)(=O)c1cccc(NC(=O)C[N@H+]2CC[C@@H](C(C)(C)C)[C@H](O)C2)c1 ZINC000095995992 569378764 /nfs/dbraw/zinc/37/87/64/569378764.db2.gz GYGCGVYJJXPUMQ-RTBURBONSA-N 1 1 425.595 2.385 50 0 IEAAMO CCc1ccccc1-n1c(=O)c2cc(C)ccc2n(CC(=O)N2CC[NH+](CC)CC2)c1=O ZINC000096318238 569393709 /nfs/dbraw/zinc/39/37/09/569393709.db2.gz AZFSMCNTWQPQNM-UHFFFAOYSA-N 1 1 434.540 2.187 50 0 IEAAMO CCCCCn1c(N2CC[NH+](Cc3ccc(F)cc3)CC2)nc2c1c(=O)[nH]c(=O)n2C ZINC000056952423 569428464 /nfs/dbraw/zinc/42/84/64/569428464.db2.gz NUYZVEVHSVIGTE-UHFFFAOYSA-N 1 1 428.512 2.075 50 0 IEAAMO CCC[N@@H+](CC(=O)c1c(N)n(C2CC2)c(=O)[nH]c1=O)[C@@H]1C[C@@H](OCC)C12CCCCC2 ZINC000230089049 569434281 /nfs/dbraw/zinc/43/42/81/569434281.db2.gz PVHSJTZQLWETLT-QZTJIDSGSA-N 1 1 432.565 2.476 50 0 IEAAMO C[C@@H]1CCCC[N@H+]1CCNC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)CCN3C(=O)C2CC2)C1 ZINC000230166167 569439752 /nfs/dbraw/zinc/43/97/52/569439752.db2.gz UMXLZOCLDJHDOJ-XLIONFOSSA-N 1 1 438.572 2.329 50 0 IEAAMO O=C(C[N@@H+]1CCS[C@H]2CCCC[C@H]21)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000230172515 569439865 /nfs/dbraw/zinc/43/98/65/569439865.db2.gz MXOJQYUNUUOPDW-MOPGFXCFSA-N 1 1 439.603 2.006 50 0 IEAAMO O=C(C[N@H+]1CCS[C@H]2CCCC[C@H]21)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000230172515 569439866 /nfs/dbraw/zinc/43/98/66/569439866.db2.gz MXOJQYUNUUOPDW-MOPGFXCFSA-N 1 1 439.603 2.006 50 0 IEAAMO CCCCN(C(=O)C[N@@H+]1CCS[C@H]2CCCC[C@H]21)c1c(N)n(CCC)c(=O)[nH]c1=O ZINC000230172528 569439886 /nfs/dbraw/zinc/43/98/86/569439886.db2.gz NAUUWMMTLYWBMG-CVEARBPZSA-N 1 1 437.610 2.022 50 0 IEAAMO CCCCN(C(=O)C[N@H+]1CCS[C@H]2CCCC[C@H]21)c1c(N)n(CCC)c(=O)[nH]c1=O ZINC000230172528 569439887 /nfs/dbraw/zinc/43/98/87/569439887.db2.gz NAUUWMMTLYWBMG-CVEARBPZSA-N 1 1 437.610 2.022 50 0 IEAAMO COc1cc(N2C[C@H](C(=O)NC[C@H]3CCC[N@H+]4CCCC[C@H]34)CC2=O)cc(OC)c1OC ZINC000230459650 569441624 /nfs/dbraw/zinc/44/16/24/569441624.db2.gz WBIHFVSNQDFSIS-ZHALLVOQSA-N 1 1 445.560 2.446 50 0 biogenic IEAAMO COc1ccc2c(cc(C(=O)N[C@H]3C4CN5CC3(c3ccccc3)C[N@@H+](C4)CC5)n2C)c1 ZINC000670440200 569448764 /nfs/dbraw/zinc/44/87/64/569448764.db2.gz FASFAQVYOYQATJ-DTDTVYEOSA-N 1 1 430.552 2.484 50 0 IEAAMO CCOC(=O)N1CCN(C(=O)C[N@H+]2CCC[C@H](c3nc(-c4cccc(F)c4)no3)C2)CC1 ZINC000058158519 569449096 /nfs/dbraw/zinc/44/90/96/569449096.db2.gz BWWPMFNASTZMDB-KRWDZBQOSA-N 1 1 445.495 2.356 50 0 IEAAMO C[C@H](CNC(=O)CN1C(=O)N[C@](C)(c2ccc(F)cc2)C1=O)[N@@H+]1CCc2sccc2C1 ZINC000031961980 569458577 /nfs/dbraw/zinc/45/85/77/569458577.db2.gz IPMUXLVCCSLNEH-JLCFBVMHSA-N 1 1 444.532 2.217 50 0 IEAAMO C[C@H](CNC(=O)CN1C(=O)N[C@](C)(c2ccc(F)cc2)C1=O)[N@H+]1CCc2sccc2C1 ZINC000031961980 569458578 /nfs/dbraw/zinc/45/85/78/569458578.db2.gz IPMUXLVCCSLNEH-JLCFBVMHSA-N 1 1 444.532 2.217 50 0 IEAAMO COc1ccc(/C=C/C(=O)N2CCN(c3cc(-n4ccnc4)nc(C)[nH+]3)CC2)cc1OC ZINC000038488269 569462988 /nfs/dbraw/zinc/46/29/88/569462988.db2.gz TUNCXZPKWOYODQ-FNORWQNLSA-N 1 1 434.500 2.350 50 0 IEAAMO CCOc1ccccc1NC(=O)Cn1cnc2nc(N3CC[NH+](CC)CC3)sc2c1=O ZINC000067225913 569465199 /nfs/dbraw/zinc/46/51/99/569465199.db2.gz LTQJZQPEGMJTND-UHFFFAOYSA-N 1 1 442.545 2.032 50 0 IEAAMO COC(=O)c1ccc(NC(=O)C[NH+]2CCC(n3nnc(-c4cccs4)n3)CC2)cc1 ZINC000008694518 569470084 /nfs/dbraw/zinc/47/00/84/569470084.db2.gz JKHZNOQJPOBGRB-UHFFFAOYSA-N 1 1 426.502 2.464 50 0 IEAAMO CCOCCN1[NH+]=C(C)[C@@H](C)n2c1nc1c2c(=O)n(Cc2cccc(Cl)c2)c(=O)n1C ZINC000008725065 569472106 /nfs/dbraw/zinc/47/21/06/569472106.db2.gz KIOKIVYOFFJMFV-CQSZACIVSA-N 1 1 444.923 2.392 50 0 IEAAMO O=C(C[NH+]1CCC2(CC1)NC(=O)N(Cc1ccc(F)cc1)C2=O)N1CCc2ccccc21 ZINC000008769294 569475064 /nfs/dbraw/zinc/47/50/64/569475064.db2.gz SBJZXWMYOQFRSZ-UHFFFAOYSA-N 1 1 436.487 2.301 50 0 IEAAMO Cc1[nH+]ccn1-c1cc(CNC(=O)[C@H]2CCCCN2S(=O)(=O)c2ccccc2)ccn1 ZINC000040108362 569488528 /nfs/dbraw/zinc/48/85/28/569488528.db2.gz DPOFVMYNVPBWHE-HXUWFJFHSA-N 1 1 439.541 2.435 50 0 IEAAMO Cc1[nH+]ccn1-c1cc(CNC(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccccc2)ccn1 ZINC000040108361 569488550 /nfs/dbraw/zinc/48/85/50/569488550.db2.gz DPOFVMYNVPBWHE-FQEVSTJZSA-N 1 1 439.541 2.435 50 0 IEAAMO C[C@H](c1cccc(C(F)(F)F)c1)[N@H+](CC(=O)N1CCN(S(C)(=O)=O)CC1)C1CC1 ZINC000040155727 569493995 /nfs/dbraw/zinc/49/39/95/569493995.db2.gz XSXGJTCBMZSBAF-CQSZACIVSA-N 1 1 433.496 2.335 50 0 IEAAMO C[C@H](c1cccc(C(F)(F)F)c1)[N@@H+](CC(=O)N1CCN(S(C)(=O)=O)CC1)C1CC1 ZINC000040155727 569493996 /nfs/dbraw/zinc/49/39/96/569493996.db2.gz XSXGJTCBMZSBAF-CQSZACIVSA-N 1 1 433.496 2.335 50 0 IEAAMO C[C@H]1CCCC[N@H+]1CCCNC(=O)c1ccc(CN2CC(=O)N3CCC[C@H]3C2=O)cc1 ZINC000245257637 569501562 /nfs/dbraw/zinc/50/15/62/569501562.db2.gz AVQYILNXHTYXMS-RXVVDRJESA-N 1 1 426.561 2.014 50 0 IEAAMO O=C(CCc1nnc(-c2ccsc2)o1)NCC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000069416385 569506218 /nfs/dbraw/zinc/50/62/18/569506218.db2.gz KXCSJMLKGODDEJ-UHFFFAOYSA-N 1 1 439.541 2.191 50 0 IEAAMO C[NH+]1CCN(c2nc3ccc(OC(=O)CN4C(=O)c5ccccc5C4=O)cc3s2)CC1 ZINC000009316244 569522271 /nfs/dbraw/zinc/52/22/71/569522271.db2.gz WADCLMHVISAQHN-UHFFFAOYSA-N 1 1 436.493 2.250 50 0 IEAAMO Cc1nccc2[nH]c(=O)c(C(=O)NCC[NH+]3CCN(c4cccc(Cl)c4)CC3)cc12 ZINC000003061772 132261490 /nfs/dbraw/zinc/26/14/90/132261490.db2.gz KVDSZNNEGKMTMM-UHFFFAOYSA-N 1 1 425.920 2.437 50 0 IEAAMO CC1CC[NH+](Cc2nc3sc4c(c3c(N3CCN(S(C)(=O)=O)CC3)n2)CCC4)CC1 ZINC000009591533 132322519 /nfs/dbraw/zinc/32/25/19/132322519.db2.gz XDMPBFQOXQHUPJ-UHFFFAOYSA-N 1 1 449.646 2.494 50 0 IEAAMO CC(C)[C@H](CNC(=O)CCNC(=O)c1ccc(Br)cc1)[NH+]1CCOCC1 ZINC000022510718 519815239 /nfs/dbraw/zinc/81/52/39/519815239.db2.gz HDRZYNJJYDPKDI-KRWDZBQOSA-N 1 1 426.355 2.042 50 0 IEAAMO CC[N@@H+](CC(=O)N1CCN(C(=O)c2cccs2)CC1)C[C@H]1COc2ccccc2O1 ZINC000036726051 520312365 /nfs/dbraw/zinc/31/23/65/520312365.db2.gz JODHMTJVPZZRGP-KRWDZBQOSA-N 1 1 429.542 2.194 50 0 IEAAMO CC[N@H+](CC(=O)N1CCN(C(=O)c2cccs2)CC1)C[C@H]1COc2ccccc2O1 ZINC000036726051 520312373 /nfs/dbraw/zinc/31/23/73/520312373.db2.gz JODHMTJVPZZRGP-KRWDZBQOSA-N 1 1 429.542 2.194 50 0 IEAAMO CCOC(=O)C1C(C[N@H+]2CCC[C@@H](C(=O)OCC)C2)=NC(=O)N[C@@H]1c1ccc(C)cc1 ZINC000020560277 520510674 /nfs/dbraw/zinc/51/06/74/520510674.db2.gz HTIRTVKGVHRZQS-YLJYHZDGSA-N 1 1 429.517 2.441 50 0 IEAAMO CCOC(=O)C1C(C[N@@H+]2CCC[C@@H](C(=O)OCC)C2)=NC(=O)N[C@@H]1c1ccc(C)cc1 ZINC000020560277 520510687 /nfs/dbraw/zinc/51/06/87/520510687.db2.gz HTIRTVKGVHRZQS-YLJYHZDGSA-N 1 1 429.517 2.441 50 0 IEAAMO CCOC(=O)C1CC[NH+]([C@@H](c2cccnc2)c2c(O)cc(C)n(CCOC)c2=O)CC1 ZINC000022697853 520580457 /nfs/dbraw/zinc/58/04/57/520580457.db2.gz VQFJVPKEJCIUGO-NRFANRHFSA-N 1 1 429.517 2.268 50 0 IEAAMO CCOc1cc(C[N@@H+]2CCc3nnc([C@H](C)NC(=O)c4cccnc4)n3CC2)ccc1O ZINC000020994833 520699368 /nfs/dbraw/zinc/69/93/68/520699368.db2.gz VOGWMYRIUVWACZ-INIZCTEOSA-N 1 1 436.516 2.327 50 0 IEAAMO CC[N@@H+](CCCNC(=O)CN(C)c1nnc(N2CCCC2=O)s1)Cc1ccccc1 ZINC000021026124 521017276 /nfs/dbraw/zinc/01/72/76/521017276.db2.gz WJXXRDQLTLRAPO-UHFFFAOYSA-N 1 1 430.578 2.130 50 0 IEAAMO CCOC(=O)c1c(C)c(C(N)=O)sc1NC(=O)CNC[C@@H](c1ccccc1)[NH+](C)C ZINC000022039350 521389940 /nfs/dbraw/zinc/38/99/40/521389940.db2.gz MLJVUXCQHPKJSQ-HNNXBMFYSA-N 1 1 432.546 2.163 50 0 IEAAMO CCOc1ccccc1C[N@@H+]1CCc2nnc(CNC(=O)c3ccc(COC)o3)n2CC1 ZINC000020452284 521486704 /nfs/dbraw/zinc/48/67/04/521486704.db2.gz GSCCFUNBAKDERN-UHFFFAOYSA-N 1 1 439.516 2.405 50 0 IEAAMO CCOc1ccccc1C[N@@H+]1CCc2nnc([C@@H](C)NC(=O)C3CCOCC3)n2CC1 ZINC000020919809 521488129 /nfs/dbraw/zinc/48/81/29/521488129.db2.gz HBQMEVHDVGKKRW-QGZVFWFLSA-N 1 1 427.549 2.339 50 0 IEAAMO CCC(CC)[C@@H](CNC(=O)c1ccc2c(c1)C[C@H](C)N2S(C)(=O)=O)[NH+]1CCOCC1 ZINC000012910305 521604974 /nfs/dbraw/zinc/60/49/74/521604974.db2.gz URAASHRYDMITRV-HRAATJIYSA-N 1 1 437.606 2.264 50 0 IEAAMO CC[N@H+]1CCC[C@H]1CNC(=O)Cn1ccc2cc(S(=O)(=O)N3CCCCC3)ccc21 ZINC000020937358 521655071 /nfs/dbraw/zinc/65/50/71/521655071.db2.gz BHCAELCAYJDJOV-IBGZPJMESA-N 1 1 432.590 2.416 50 0 IEAAMO CCN1CCN(C[C@@H](O)COc2ccc(C[NH2+]CCc3cccc(C)n3)cc2OC)CC1 ZINC000022914305 521685364 /nfs/dbraw/zinc/68/53/64/521685364.db2.gz FAMMVDSZCBWDDA-HSZRJFAPSA-N 1 1 442.604 2.108 50 0 IEAAMO COCCn1nc(C(=O)NCc2cccnc2)c2c1CC[N@H+](Cc1cccc(OC)c1)C2 ZINC000020774526 522145955 /nfs/dbraw/zinc/14/59/55/522145955.db2.gz SFOASIUKTBMWPV-UHFFFAOYSA-N 1 1 435.528 2.421 50 0 IEAAMO COCCn1nc(C(=O)NCc2cccnc2)c2c1CC[N@@H+](Cc1cccc(OC)c1)C2 ZINC000020774526 522145965 /nfs/dbraw/zinc/14/59/65/522145965.db2.gz SFOASIUKTBMWPV-UHFFFAOYSA-N 1 1 435.528 2.421 50 0 IEAAMO COc1cc(C[N@@H+](C)CCOc2ccccc2)ccc1OC[C@@H](O)CN1CCOCC1 ZINC000012581911 522351012 /nfs/dbraw/zinc/35/10/12/522351012.db2.gz ANKAOUSYXGCHPK-NRFANRHFSA-N 1 1 430.545 2.278 50 0 IEAAMO COc1cc2c(c(OC)c1OC)-c1ccc(NCCO)c(=O)cc1[C@@H]([N@@H+](C)CCO)CC2 ZINC000012877310 522993249 /nfs/dbraw/zinc/99/32/49/522993249.db2.gz PIFWVYULEKIYFF-IBGZPJMESA-N 1 1 444.528 2.055 50 0 biogenic IEAAMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)[C@H]1CCCN(c2nn3c(nc(C)cc3=O)s2)C1 ZINC000251822552 523020498 /nfs/dbraw/zinc/02/04/98/523020498.db2.gz PJAUSWBDJMXFKM-ROUUACIJSA-N 1 1 446.621 2.447 50 0 IEAAMO COc1ccc(C(=O)NCCc2nnc3n2CC[N@H+](Cc2ccc4c(c2)CCO4)CC3)cc1 ZINC000012134416 523703738 /nfs/dbraw/zinc/70/37/38/523703738.db2.gz GXZYGQLEHJHVJI-UHFFFAOYSA-N 1 1 447.539 2.252 50 0 IEAAMO C[NH+]1CCN(C(=O)C[C@@H]2CSc3nc4c(cnn4-c4cccc(Cl)c4)c(=O)n32)CC1 ZINC000022768367 523875085 /nfs/dbraw/zinc/87/50/85/523875085.db2.gz VPUNPGWNHZWKML-OAHLLOKOSA-N 1 1 444.948 2.047 50 0 IEAAMO COc1ccc(C[N@H+]2C[C@@H](CN3CCOCC3)C[C@@H](C(=O)NCC(C)C)C2)cc1OC ZINC000014537964 524041999 /nfs/dbraw/zinc/04/19/99/524041999.db2.gz GCNDGZZPGRVUNJ-NHCUHLMSSA-N 1 1 433.593 2.246 50 0 IEAAMO C[C@H]1C[NH+](C(C)(C)CNC(=O)c2cc(S(=O)(=O)N(C)C)ccc2Cl)C[C@H](C)O1 ZINC000021049108 524554753 /nfs/dbraw/zinc/55/47/53/524554753.db2.gz CVBWABCXXKLQLS-KBPBESRZSA-N 1 1 431.986 2.208 50 0 IEAAMO Cc1cccc(NC(=O)CSc2nc(=O)n(CCC[NH+]3CCOCC3)c3c2CCC3)c1 ZINC000022908993 524602385 /nfs/dbraw/zinc/60/23/85/524602385.db2.gz VOSKTDLBBWBBPK-UHFFFAOYSA-N 1 1 442.585 2.494 50 0 IEAAMO C[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)NC[C@H](c3ccco3)[NH+](C)C)c2)C[C@@H](C)O1 ZINC000013145812 525053137 /nfs/dbraw/zinc/05/31/37/525053137.db2.gz BUPCBRFEJCHJPT-GPMSIDNRSA-N 1 1 435.546 2.110 50 0 IEAAMO Cc1cccn2c(CN3CC[NH+](Cc4cccs4)CC3)c(C(=O)N3CCOCC3)nc12 ZINC000022913863 525462595 /nfs/dbraw/zinc/46/25/95/525462595.db2.gz WGBXARKXCJHVGR-UHFFFAOYSA-N 1 1 439.585 2.494 50 0 IEAAMO COc1ccc2cc(C(=O)N3CCC(CC(=O)NCCC[NH+]4CCOCC4)CC3)[nH]c2c1 ZINC000035561979 525620152 /nfs/dbraw/zinc/62/01/52/525620152.db2.gz KLJXDGMAIDEHET-UHFFFAOYSA-N 1 1 442.560 2.257 50 0 IEAAMO COc1cccc(-c2cc(C(=O)N[C@H](Cc3ccccc3)C(=O)N3CC[NH+](C)CC3)no2)c1 ZINC000036002410 525702775 /nfs/dbraw/zinc/70/27/75/525702775.db2.gz CXHYTHHEDPKTKO-JOCHJYFZSA-N 1 1 448.523 2.465 50 0 IEAAMO Cc1cc(=O)oc2c3c(cc(OCC(=O)NCCC[NH+]4CCOCC4)c12)OC(C)(C)CC3 ZINC000020757585 526145066 /nfs/dbraw/zinc/14/50/66/526145066.db2.gz UHLUPQFMJFURDI-UHFFFAOYSA-N 1 1 444.528 2.422 50 0 biogenic IEAAMO C[C@H]1CCCC[N@H+]1CCCNC(=O)CCc1nc(CS(=O)(=O)c2ccccc2)no1 ZINC000021097074 526247275 /nfs/dbraw/zinc/24/72/75/526247275.db2.gz GDRGFAXZVWOCKJ-KRWDZBQOSA-N 1 1 434.562 2.357 50 0 IEAAMO O=C(NC[C@@H]1CCCO1)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000035485242 526518889 /nfs/dbraw/zinc/51/88/89/526518889.db2.gz MOTHUJKQNSAOTL-OYDLWJJNSA-N 1 1 446.551 2.205 50 0 biogenic IEAAMO O=C(NCc1cc2cc(Cl)ccc2[nH]1)[C@@H]1CCC(=O)N(CCC[NH+]2CCOCC2)C1 ZINC000020774320 526643082 /nfs/dbraw/zinc/64/30/82/526643082.db2.gz XRNYKCWMVMZYEK-MRXNPFEDSA-N 1 1 432.952 2.398 50 0 IEAAMO O=C(CCc1nnc(Cc2ccc3c(c2)OCO3)o1)NCC1([NH+]2CCOCC2)CCCC1 ZINC000020905747 526665921 /nfs/dbraw/zinc/66/59/21/526665921.db2.gz QFHIGFWXSHYACF-UHFFFAOYSA-N 1 1 442.516 2.083 50 0 IEAAMO O=C(c1nc2ccccn2c1CN1CCC[C@H]1CO)N1CC[NH+](C2CCCCC2)CC1 ZINC000012316699 526918130 /nfs/dbraw/zinc/91/81/30/526918130.db2.gz SOLWKRUWCZXZBN-FQEVSTJZSA-N 1 1 425.577 2.382 50 0 IEAAMO O=C(COc1coc(CN2CC[NH+](Cc3ccccc3)CC2)cc1=O)NC1CCCC1 ZINC000022577653 527002658 /nfs/dbraw/zinc/00/26/58/527002658.db2.gz GPMFMKQVPQIYGV-UHFFFAOYSA-N 1 1 425.529 2.395 50 0 IEAAMO COCCN(C[C@H]1C[N@H+](C[C@H](O)Cc2ccccc2)CCO1)C(=O)c1ccc(F)cc1 ZINC000034667298 555791485 /nfs/dbraw/zinc/79/14/85/555791485.db2.gz DXXIMLDTPZASAX-DHIUTWEWSA-N 1 1 430.520 2.219 50 0 IEAAMO COCCN(C[C@H]1C[N@@H+](C[C@H](O)Cc2ccccc2)CCO1)C(=O)c1ccc(F)cc1 ZINC000034667298 555791488 /nfs/dbraw/zinc/79/14/88/555791488.db2.gz DXXIMLDTPZASAX-DHIUTWEWSA-N 1 1 430.520 2.219 50 0 IEAAMO CC(C)(C)OC[C@H](O)C[NH+]1CCN(Cc2nc(C(=O)Nc3ccc(F)cc3)co2)CC1 ZINC000034677152 555795416 /nfs/dbraw/zinc/79/54/16/555795416.db2.gz XXOILMLPNIVZSM-GOSISDBHSA-N 1 1 434.512 2.360 50 0 IEAAMO COCCN(C[C@@H]1C[N@H+](C[C@H](O)Cc2ccccc2)CCO1)C(=O)c1cccc(F)c1 ZINC000034691433 555804100 /nfs/dbraw/zinc/80/41/00/555804100.db2.gz SFBNGIZDCXSZTN-PKTZIBPZSA-N 1 1 430.520 2.219 50 0 IEAAMO COCCN(C[C@@H]1C[N@@H+](C[C@H](O)Cc2ccccc2)CCO1)C(=O)c1cccc(F)c1 ZINC000034691433 555804101 /nfs/dbraw/zinc/80/41/01/555804101.db2.gz SFBNGIZDCXSZTN-PKTZIBPZSA-N 1 1 430.520 2.219 50 0 IEAAMO O=C(C1CC[NH+]([C@@H]2CC(=O)N(c3ccc4c(c3)OCO4)C2=O)CC1)N1CCCCCC1 ZINC000004721213 556007889 /nfs/dbraw/zinc/00/78/89/556007889.db2.gz BCKYAOYCTZUTAC-GOSISDBHSA-N 1 1 427.501 2.162 50 0 IEAAMO COc1ccc(OC)c2[nH]c(C(=O)NCC(=O)N3CC[NH+](Cc4ccccc4)CC3)cc21 ZINC000013689270 556278641 /nfs/dbraw/zinc/27/86/41/556278641.db2.gz SGUQYEVQVBAVER-UHFFFAOYSA-N 1 1 436.512 2.259 50 0 IEAAMO COc1cc2cc(C(=O)NCC(=O)N3CC[NH+](Cc4ccccc4)CC3)[nH]c2cc1OC ZINC000013726605 556293093 /nfs/dbraw/zinc/29/30/93/556293093.db2.gz RIAFYSQWANWTPU-UHFFFAOYSA-N 1 1 436.512 2.259 50 0 IEAAMO COCC(=O)N[C@H](CC(C)C)c1nnc2n1CC[N@H+](Cc1ccc(OC)cc1OC)CC2 ZINC000011813664 556357303 /nfs/dbraw/zinc/35/73/03/556357303.db2.gz CUFDOLJBFYIIDN-LJQANCHMSA-N 1 1 445.564 2.203 50 0 IEAAMO CN(CC(=O)N1CC[NH+](Cc2ccccc2)CC1)C(=O)c1cccc(CN2CCCC2=O)c1 ZINC000014169543 556380931 /nfs/dbraw/zinc/38/09/31/556380931.db2.gz JPDBLEPYJHGVDE-UHFFFAOYSA-N 1 1 448.567 2.225 50 0 IEAAMO C[N@H+]1CCC[C@H]1CCNC(=O)c1ccc(OC2CCN(S(C)(=O)=O)CC2)c(Cl)c1 ZINC000012050535 556392129 /nfs/dbraw/zinc/39/21/29/556392129.db2.gz UCVIQUKAOHCOGQ-INIZCTEOSA-N 1 1 443.997 2.357 50 0 IEAAMO CC[N@H+]1CCC[C@H]1CNC(=O)c1ccc(OC2CCN(S(C)(=O)=O)CC2)c(Cl)c1 ZINC000012050960 556392614 /nfs/dbraw/zinc/39/26/14/556392614.db2.gz JNFHBHBLYAFVIJ-INIZCTEOSA-N 1 1 443.997 2.357 50 0 IEAAMO Cn1ccnc1S[C@@H]1C[C@@H](C(=O)N2CCC[N@@H+](C)CC2)N(Cc2ccc(F)cc2)C1 ZINC000012151357 556402414 /nfs/dbraw/zinc/40/24/14/556402414.db2.gz PYAUOFYZCCRALZ-UXHICEINSA-N 1 1 431.581 2.459 50 0 IEAAMO COCCN1C(=O)N(CC(C)C)C(=O)C12CC[NH+](Cc1nc3ccccc3n1C)CC2 ZINC000014536010 556423510 /nfs/dbraw/zinc/42/35/10/556423510.db2.gz 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O=C(Cc1ccc(S(=O)(=O)N2CCCC2)s1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000025390273 568656329 /nfs/dbraw/zinc/65/63/29/568656329.db2.gz WBOKHTWHNRMPKQ-UHFFFAOYSA-N 1 1 433.599 2.420 50 0 IEAAMO COC(=O)c1sc(NC(=O)CC[N@H+]2CCC[C@@H](C3OCCO3)C2)c(C(=O)OC)c1C ZINC000084026735 568789920 /nfs/dbraw/zinc/78/99/20/568789920.db2.gz PVCFVHASRFKKFM-CYBMUJFWSA-N 1 1 440.518 2.043 50 0 IEAAMO CCCCc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H]([C@@H](C)O)[NH2+][C@]32C(=O)Nc3ccccc32)cc1 ZINC000015956930 568859940 /nfs/dbraw/zinc/85/99/40/568859940.db2.gz QWZGSPOLCCGYFU-KQCWWSFOSA-N 1 1 433.508 2.335 50 0 biogenic IEAAMO COc1ccc(S(=O)(=O)NCCNc2cc(Nc3ccccn3)nc(C)[nH+]2)cc1OC ZINC000090607963 568890534 /nfs/dbraw/zinc/89/05/34/568890534.db2.gz GYXVYZNNAOUSEI-UHFFFAOYSA-N 1 1 444.517 2.331 50 0 IEAAMO COc1ccc(N2C(=O)[C@@H]3[C@@H]4CCC[N@H+]4[C@@]4(c5ccccc5NC4=O)[C@H]3C2=O)cc1OC ZINC000245226016 568912918 /nfs/dbraw/zinc/91/29/18/568912918.db2.gz DMYOOPSREMVGOU-CDNOPDGFSA-N 1 1 433.464 2.135 50 0 IEAAMO CCN(CC)c1onc(-c2ccccc2)c1C[N@@H+](CCN1CCOCC1)C[C@H](O)COC ZINC000036208281 568973385 /nfs/dbraw/zinc/97/33/85/568973385.db2.gz GTZUOXLVZUPOQL-NRFANRHFSA-N 1 1 446.592 2.329 50 0 IEAAMO C[C@@H](NC(=O)C1CCN(c2cncnc2N2CC[NH+](C)CC2)CC1)c1ccc(F)cc1 ZINC000065226919 569117960 /nfs/dbraw/zinc/11/79/60/569117960.db2.gz WOCRVMMCBORSFM-QGZVFWFLSA-N 1 1 426.540 2.461 50 0 IEAAMO O=C(NCCC[NH+]1CCOCC1)c1ccc2c(c1)n(Cc1ccccc1)c(=O)c1ccnn12 ZINC000065270856 569127582 /nfs/dbraw/zinc/12/75/82/569127582.db2.gz CCKNWSBCJSSYBN-UHFFFAOYSA-N 1 1 445.523 2.150 50 0 IEAAMO CC[C@@H]1C[N@@H+](CC(C)(C)O)[C@H](CC)CN1C(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21 ZINC000170606127 569143895 /nfs/dbraw/zinc/14/38/95/569143895.db2.gz YXOZWGLXNJJPNC-JGLNRKDHSA-N 1 1 440.654 2.185 50 0 IEAAMO O=C(C[C@H]1NC(=O)N(CCc2cccc(F)c2)C1=O)NC[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000252537614 569189999 /nfs/dbraw/zinc/18/99/99/569189999.db2.gz LTJWZSPXQHRKOC-DFQSSKMNSA-N 1 1 430.524 2.264 50 0 IEAAMO NC(=O)CCN(C(=O)C[NH+]1CCC(C(=O)NCc2ccccc2)CC1)c1ccc(F)cc1 ZINC000027367914 569193516 /nfs/dbraw/zinc/19/35/16/569193516.db2.gz NIHHCVVCAXEFFM-UHFFFAOYSA-N 1 1 440.519 2.063 50 0 IEAAMO CC[NH+]1CCN(C(=O)Cn2c3cc(Cl)ccc3c(=O)n(-c3ccccc3F)c2=O)CC1 ZINC000037399438 569194417 /nfs/dbraw/zinc/19/44/17/569194417.db2.gz NFYYHVJBZBFVFL-UHFFFAOYSA-N 1 1 444.894 2.109 50 0 IEAAMO CN(C[C@@H]1CCC[N@H+]2CCCC[C@H]12)C(=O)[C@H]1CC(=O)N(Cc2ccc3c(c2)OCO3)C1 ZINC000253412348 569265869 /nfs/dbraw/zinc/26/58/69/569265869.db2.gz QRSFJDJBEBPKDB-SLFFLAALSA-N 1 1 427.545 2.487 50 0 biogenic IEAAMO C[C@@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)[N@@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000027570337 569273194 /nfs/dbraw/zinc/27/31/94/569273194.db2.gz JSVPZGIPEVUKRB-JKSUJKDBSA-N 1 1 430.530 2.012 50 0 IEAAMO C[C@@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)[N@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000027570337 569273196 /nfs/dbraw/zinc/27/31/96/569273196.db2.gz JSVPZGIPEVUKRB-JKSUJKDBSA-N 1 1 430.530 2.012 50 0 IEAAMO Cc1ccc(S(=O)(=O)[C@H]2CS(=O)(=O)C[C@@H]2[NH2+]CCc2ccc(Cl)cc2)cc1 ZINC000013371346 569314899 /nfs/dbraw/zinc/31/48/99/569314899.db2.gz RRCCEDMWUMKTBD-OALUTQOASA-N 1 1 427.975 2.420 50 0 IEAAMO COc1cc2c(cc1OC)[C@H](C(=O)N1CC[NH+](C)CC1)[C@@H](c1cccs1)N(C)C2=O ZINC000020114139 569334799 /nfs/dbraw/zinc/33/47/99/569334799.db2.gz LZODQNVTJSEOJY-VQTJNVASSA-N 1 1 429.542 2.450 50 0 IEAAMO COc1cc2c(C(=O)NCCC[NH+]3CCN(C)CC3)cn(CC(C)C)c(=O)c2cc1OC ZINC000020116498 569335081 /nfs/dbraw/zinc/33/50/81/569335081.db2.gz RDMDLVRKSUTVOI-UHFFFAOYSA-N 1 1 444.576 2.042 50 0 IEAAMO CC[NH+]1CCN([C@H](c2cccs2)[C@@H](C)NC(=O)C(=O)NCc2ccccc2OC)CC1 ZINC000020288012 569359296 /nfs/dbraw/zinc/35/92/96/569359296.db2.gz UDKOHTUMPJPSOX-UTKZUKDTSA-N 1 1 444.601 2.256 50 0 IEAAMO CCn1c(C(=O)N2CCC(C(=O)NCCC[NH+]3CCN(C)CC3)CC2)cc2sccc21 ZINC000020383006 569362789 /nfs/dbraw/zinc/36/27/89/569362789.db2.gz KWEANQWDVLXGIY-UHFFFAOYSA-N 1 1 445.633 2.329 50 0 IEAAMO C[NH+]1CCN(C(=O)Cn2ncc3c4ccccc4n(Cc4ccccc4F)c3c2=O)CC1 ZINC000020415835 569364482 /nfs/dbraw/zinc/36/44/82/569364482.db2.gz FXEKAABYOAHQPS-UHFFFAOYSA-N 1 1 433.487 2.313 50 0 IEAAMO Cn1cc(/C=C(\NC(=O)c2ccco2)C(=O)NCCC[NH+]2CCOCC2)c2ccccc21 ZINC000020439251 569365780 /nfs/dbraw/zinc/36/57/80/569365780.db2.gz FLCRNVYJJSZIDI-SILNSSARSA-N 1 1 436.512 2.381 50 0 IEAAMO CN1C(=O)N(C)C(=O)C2(Cc3ccccc3N3CC[N@@H+](C/C=C/c4ccccc4)C[C@H]32)C1=O ZINC000057110983 569429575 /nfs/dbraw/zinc/42/95/75/569429575.db2.gz JKLVVJFWRXMIGO-NJTIBFSMSA-N 1 1 444.535 2.484 50 0 IEAAMO O=C(Cc1ccc(S(=O)(=O)N2CCCC2)s1)NCC[N@H+]1CCc2ccccc2C1 ZINC000030362612 569441748 /nfs/dbraw/zinc/44/17/48/569441748.db2.gz UEMZJBIJUBVPCC-UHFFFAOYSA-N 1 1 433.599 2.250 50 0 IEAAMO CC(=O)N1CCOc2ccc(S(=O)(=O)N[C@@H](C)C[N@@H+]3CCc4ccccc4C3)cc21 ZINC000670434030 569442827 /nfs/dbraw/zinc/44/28/27/569442827.db2.gz ABXNKQZEGXNWRZ-INIZCTEOSA-N 1 1 429.542 2.157 50 0 IEAAMO CC(=O)N1CCOc2ccc(S(=O)(=O)N[C@@H](C)C[N@H+]3CCc4ccccc4C3)cc21 ZINC000670434030 569442828 /nfs/dbraw/zinc/44/28/28/569442828.db2.gz ABXNKQZEGXNWRZ-INIZCTEOSA-N 1 1 429.542 2.157 50 0 IEAAMO CCN(CC)S(=O)(=O)c1cc(C(=O)N2CC[NH+](Cc3cccc(C)c3)CC2)n(C)c1 ZINC000032206796 569460737 /nfs/dbraw/zinc/46/07/37/569460737.db2.gz JAMOFPOPMZCTQY-UHFFFAOYSA-N 1 1 432.590 2.322 50 0 IEAAMO COc1ccc(OCC[NH+]2CCN([C@H](C)C(=O)NCc3ccc4c(c3)OCO4)CC2)cc1 ZINC000032512094 569461956 /nfs/dbraw/zinc/46/19/56/569461956.db2.gz DRMMDDCANFHENT-GOSISDBHSA-N 1 1 441.528 2.125 50 0 IEAAMO CC1=[NH+]N(C)c2nc3c(c(=O)n(Cc4ccc(Br)cc4)c(=O)n3C)n2[C@H]1C ZINC000008725091 569472072 /nfs/dbraw/zinc/47/20/72/569472072.db2.gz ZWUNJVDABVVFSO-NSHDSACASA-N 1 1 431.294 2.094 50 0 IEAAMO C[N@@H+](CCCNC(=O)c1cc(S(N)(=O)=O)ccc1Br)Cc1ccccc1 ZINC000040047687 569483746 /nfs/dbraw/zinc/48/37/46/569483746.db2.gz VUQODSAWDGJJQR-UHFFFAOYSA-N 1 1 440.363 2.348 50 0 IEAAMO CCN1CC[NH+](Cc2ccccc2CNC(=O)[C@H]2CCCN(C(=O)N3CCCC3)C2)CC1 ZINC000040107979 569488492 /nfs/dbraw/zinc/48/84/92/569488492.db2.gz BEDBXWBLQUKIRL-QHCPKHFHSA-N 1 1 441.620 2.368 50 0 IEAAMO CCOC(=O)c1c(C)[nH]c(C(=O)NCc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)c1C ZINC000040111545 569488846 /nfs/dbraw/zinc/48/88/46/569488846.db2.gz IGIJYKKQGQQCGS-UHFFFAOYSA-N 1 1 426.517 2.126 50 0 IEAAMO CCNS(=O)(=O)c1ccc(F)c(C(=O)N2CCC[N@H+](Cc3ccc(OC)cc3)CC2)c1 ZINC000040149087 569492427 /nfs/dbraw/zinc/49/24/27/569492427.db2.gz JSGMHBCDOWYZJA-UHFFFAOYSA-N 1 1 449.548 2.481 50 0 IEAAMO CCNS(=O)(=O)c1ccc(F)c(C(=O)N2CCC[N@@H+](Cc3ccc(OC)cc3)CC2)c1 ZINC000040149087 569492428 /nfs/dbraw/zinc/49/24/28/569492428.db2.gz JSGMHBCDOWYZJA-UHFFFAOYSA-N 1 1 449.548 2.481 50 0 IEAAMO Cc1csc(NC(=O)C2CC[NH+]([C@H](C)C(=O)Nc3ccc4[nH]c(=O)[nH]c4c3)CC2)n1 ZINC000040149653 569492586 /nfs/dbraw/zinc/49/25/86/569492586.db2.gz CFGLAEWNQIUNIF-GFCCVEGCSA-N 1 1 428.518 2.299 50 0 IEAAMO COc1cc(CC(=O)Nc2cccc(C[N@@H+]3CCC[C@@H]3C(N)=O)c2)cc(OC)c1OC ZINC000040157928 569494466 /nfs/dbraw/zinc/49/44/66/569494466.db2.gz KFJOGUGMRFBFBI-GOSISDBHSA-N 1 1 427.501 2.343 50 0 IEAAMO COc1cc(CC(=O)Nc2cccc(C[N@H+]3CCC[C@@H]3C(N)=O)c2)cc(OC)c1OC ZINC000040157928 569494467 /nfs/dbraw/zinc/49/44/67/569494467.db2.gz KFJOGUGMRFBFBI-GOSISDBHSA-N 1 1 427.501 2.343 50 0 IEAAMO CCOCCN1[NH+]=C(C)[C@@H](C)n2c1nc1c2c(=O)n(C/C=C/c2ccccc2)c(=O)n1C ZINC000010047698 569577532 /nfs/dbraw/zinc/57/75/32/569577532.db2.gz AOQNCFHJAISHNK-XLNAKTSKSA-N 1 1 436.516 2.404 50 0 IEAAMO Cc1nn(-c2ccc(-c3ccccc3)nn2)c(C)c1S(=O)(=O)N1CCC[N@@H+](C)CC1 ZINC000033307961 569587496 /nfs/dbraw/zinc/58/74/96/569587496.db2.gz OEMZFXRYVVCVKG-UHFFFAOYSA-N 1 1 426.546 2.272 50 0 IEAAMO Cc1nn(-c2ccc(-c3ccccc3)nn2)c(C)c1S(=O)(=O)N1CCC[N@H+](C)CC1 ZINC000033307961 569587497 /nfs/dbraw/zinc/58/74/97/569587497.db2.gz OEMZFXRYVVCVKG-UHFFFAOYSA-N 1 1 426.546 2.272 50 0 IEAAMO C[C@@H]1CC(C)(C)NC(=S)N1CC(=O)NCCC[NH+]1CCN(c2ccccc2F)CC1 ZINC000008659922 132289297 /nfs/dbraw/zinc/28/92/97/132289297.db2.gz YYGGVHMNVYIUPU-QGZVFWFLSA-N 1 1 435.613 2.201 50 0 IEAAMO C[N@H+](CC(=O)N1CCN(c2ccc(F)cc2)CC1)Cc1ccccc1N1CCOCC1 ZINC000008706890 132291164 /nfs/dbraw/zinc/29/11/64/132291164.db2.gz FPJLJCYKLJKCLC-UHFFFAOYSA-N 1 1 426.536 2.443 50 0 IEAAMO C[N@@H+](CC(=O)N1CCN(c2ccc(F)cc2)CC1)Cc1ccccc1N1CCOCC1 ZINC000008706890 132291165 /nfs/dbraw/zinc/29/11/65/132291165.db2.gz FPJLJCYKLJKCLC-UHFFFAOYSA-N 1 1 426.536 2.443 50 0 IEAAMO C=C1C(N2CCC(C(=O)N3CC[NH+](C)CC3)CC2)=NS(=O)(=O)C1c1ccc(C)c(C)c1 ZINC000020987588 520842353 /nfs/dbraw/zinc/84/23/53/520842353.db2.gz WRNKGGPHDPYKTL-UHFFFAOYSA-N 1 1 444.601 2.262 50 0 IEAAMO CCOc1ccc(C[N@@H+]2CCc3nnc(CCNC(=O)COc4ccccc4)n3CC2)cc1 ZINC000020598431 520977960 /nfs/dbraw/zinc/97/79/60/520977960.db2.gz POMUAFBXBKVINJ-UHFFFAOYSA-N 1 1 449.555 2.473 50 0 IEAAMO CCOC(=O)c1[nH]c(C)c(CCC(=O)N2CCC[C@H](C(=O)N3CC[NH+](CC)CC3)C2)c1C ZINC000035447521 521366332 /nfs/dbraw/zinc/36/63/32/521366332.db2.gz WWZPZBGNDSXJBP-IBGZPJMESA-N 1 1 446.592 2.144 50 0 IEAAMO CCOC(=O)c1ccc(NC(=O)[C@@H]2C[C@H]([C@@H](C)O)[NH2+][C@]23C(=O)Nc2ccc(F)cc23)cc1 ZINC000035828238 521509591 /nfs/dbraw/zinc/50/95/91/521509591.db2.gz CBPOOYULSIEABU-UBVAINNBSA-N 1 1 441.459 2.147 50 0 IEAAMO CC[NH+]1CCN(c2nc3ncn(CC(=O)Nc4ccc(Cl)cc4)c(=O)c3s2)CC1 ZINC000021886387 521701935 /nfs/dbraw/zinc/70/19/35/521701935.db2.gz OKPCCKNBCDFZMD-UHFFFAOYSA-N 1 1 432.937 2.287 50 0 IEAAMO CC[C@@H](C)[N@@H+](CCNC(=O)Cn1c2ccccc2n(C)c(=O)c1=O)Cc1cccs1 ZINC000021649673 522089920 /nfs/dbraw/zinc/08/99/20/522089920.db2.gz VBPHUANJBGPXKZ-MRXNPFEDSA-N 1 1 428.558 2.179 50 0 IEAAMO COc1cc(C[N@@H+]2CCc3nnc(CNC(=O)c4cc(C)oc4C)n3CC2)cc(OC)c1 ZINC000012130244 522398743 /nfs/dbraw/zinc/39/87/43/522398743.db2.gz AMUWZDSNEVCUGW-UHFFFAOYSA-N 1 1 439.516 2.493 50 0 IEAAMO C[N@@H+](CCCNC(=O)[C@@H]1CCCN1c1nnc(N2CCCC2=O)s1)C1CCCCC1 ZINC000021927262 522762352 /nfs/dbraw/zinc/76/23/52/522762352.db2.gz CQEMUAPPFUNXNJ-KRWDZBQOSA-N 1 1 434.610 2.405 50 0 IEAAMO COc1cc(S(=O)(=O)N2CCN(c3cc(-n4cc[nH+]c4C)ncn3)CC2)c(C)cc1C ZINC000035598102 522894354 /nfs/dbraw/zinc/89/43/54/522894354.db2.gz GHDHMHRJJXBCAR-UHFFFAOYSA-N 1 1 442.545 2.107 50 0 IEAAMO COC(=O)C1CC[NH+](C[C@H](O)COc2ccc(CN(C)Cc3cccnc3)cc2)CC1 ZINC000012198944 522917627 /nfs/dbraw/zinc/91/76/27/522917627.db2.gz GZZRCTUYOCYUHJ-QFIPXVFZSA-N 1 1 427.545 2.338 50 0 IEAAMO COc1ccc(CN2CCN(C(C)=O)CC2)cc1OC[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000012706589 524030932 /nfs/dbraw/zinc/03/09/32/524030932.db2.gz KHCYNSSHGDKATH-QHCPKHFHSA-N 1 1 441.572 2.231 50 0 IEAAMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)CCc1nc(CS(=O)(=O)c2ccccc2)no1 ZINC000021097069 524101468 /nfs/dbraw/zinc/10/14/68/524101468.db2.gz GDRGFAXZVWOCKJ-QGZVFWFLSA-N 1 1 434.562 2.357 50 0 IEAAMO C[C@@H](C(=O)Nc1sc2c(c1C(N)=O)CCC2)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000022789325 524287532 /nfs/dbraw/zinc/28/75/32/524287532.db2.gz JLANJRUQYKPLIV-INIZCTEOSA-N 1 1 442.585 2.359 50 0 IEAAMO Cc1ccc(CN2CCNC(=O)[C@H]2CC(=O)N2CCC[N@@H+](Cc3cccs3)CC2)cc1 ZINC000012710801 524460822 /nfs/dbraw/zinc/46/08/22/524460822.db2.gz HPWNJXBJWSLVBT-JOCHJYFZSA-N 1 1 440.613 2.482 50 0 IEAAMO 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ZINC000095407060 569364816 /nfs/dbraw/zinc/36/48/16/569364816.db2.gz OZFLPPRDQRWDIU-UHFFFAOYSA-N 1 1 437.345 2.313 50 0 IEAAMO CC[NH+]1CCN(C(=O)Cn2ncc3c(C)n(Cc4ccc(F)cc4)c(C)c3c2=O)CC1 ZINC000020417254 569364907 /nfs/dbraw/zinc/36/49/07/569364907.db2.gz NGYNSROBIKNOEG-UHFFFAOYSA-N 1 1 425.508 2.166 50 0 IEAAMO O=C(C[C@@H](Cn1cnnn1)c1ccc(Cl)cc1)N1CC[NH+](CCc2ccccn2)CC1 ZINC000095472678 569372150 /nfs/dbraw/zinc/37/21/50/569372150.db2.gz XEYPNJDUWCDNTK-IBGZPJMESA-N 1 1 439.951 2.282 50 0 IEAAMO C[NH+]1CCN(c2nc(N3CCCC3)nc3c2CN(C(=O)c2cccnc2Cl)CC3)CC1 ZINC000096281862 569390209 /nfs/dbraw/zinc/39/02/09/569390209.db2.gz OXBRLUBXTGLJOX-UHFFFAOYSA-N 1 1 441.967 2.076 50 0 IEAAMO Cc1c(Br)c(C(F)(F)F)nn1[C@@H](C)C(=O)NCCC[NH+]1CCOCC1 ZINC000028226950 569409226 /nfs/dbraw/zinc/40/92/26/569409226.db2.gz BKVDHWCRVYHWOO-NSHDSACASA-N 1 1 427.265 2.372 50 0 IEAAMO CCCCCCn1c(N2CC[NH+](Cc3ccc(F)cc3)CC2)nc2c1c(=O)[nH]c(=O)n2C ZINC000056952451 569428498 /nfs/dbraw/zinc/42/84/98/569428498.db2.gz XHDIEVALISVPRO-UHFFFAOYSA-N 1 1 442.539 2.465 50 0 IEAAMO CCC[N@@H+](CC(=O)c1c(N)n(C2CC2)c(=O)[nH]c1=O)[C@H]1C[C@@H](OCC)C12CCCCC2 ZINC000230089059 569434305 /nfs/dbraw/zinc/43/43/05/569434305.db2.gz PVHSJTZQLWETLT-ZWKOTPCHSA-N 1 1 432.565 2.476 50 0 IEAAMO Cc1oc2ncn(C)c(=O)c2c1C(=O)NCCC[N@H+]1CCN(c2cccc(C)c2)[C@H](C)C1 ZINC000230106287 569437521 /nfs/dbraw/zinc/43/75/21/569437521.db2.gz FFOLPYPGNNZHOZ-QGZVFWFLSA-N 1 1 437.544 2.474 50 0 IEAAMO COc1ccc(CCN2C[C@H](C(=O)NC[C@@H]3CCC[N@H+]4CCCC[C@@H]34)CC2=O)cc1OC ZINC000230205076 569440089 /nfs/dbraw/zinc/44/00/89/569440089.db2.gz BILVACWSJNEWCP-HBMCJLEFSA-N 1 1 443.588 2.476 50 0 biogenic IEAAMO CC[C@@H]1C[N@@H+](CC(C)(C)O)[C@@H](CC)CN1C(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21 ZINC000230245324 569440434 /nfs/dbraw/zinc/44/04/34/569440434.db2.gz YXOZWGLXNJJPNC-STEXWYFWSA-N 1 1 440.654 2.185 50 0 IEAAMO CCOC(=O)CCN(C[C@@H]1CCC[N@H+]1CC)C(=O)COc1ccc2c(c1)CCC(=O)N2 ZINC000057991843 569444304 /nfs/dbraw/zinc/44/43/04/569444304.db2.gz MVMSTJBWGGJXPH-SFHVURJKSA-N 1 1 431.533 2.216 50 0 IEAAMO CC[NH+]1CCN(c2nc3ncn(CC(=O)Nc4cc(C)ccc4C)c(=O)c3s2)CC1 ZINC000067225922 569465224 /nfs/dbraw/zinc/46/52/24/569465224.db2.gz IUWBTAJBFHOLOU-UHFFFAOYSA-N 1 1 426.546 2.250 50 0 IEAAMO CCOC(=O)C1C(C[NH+]2CCC3(CC2)OCCO3)=NC(=O)N[C@H]1c1ccc(CC)cc1 ZINC000067286536 569467097 /nfs/dbraw/zinc/46/70/97/569467097.db2.gz BALTZAMZXXTOMR-FQEVSTJZSA-N 1 1 429.517 2.259 50 0 IEAAMO COc1ccc(S(=O)(=O)c2cnc(N3CC[NH+](C4CCCCC4)CC3)nc2N)cc1 ZINC000067336311 569468881 /nfs/dbraw/zinc/46/88/81/569468881.db2.gz NGROGFBMKWIEAS-UHFFFAOYSA-N 1 1 431.562 2.355 50 0 IEAAMO CCOCCN1[NH+]=C(C)[C@@H](C)n2c1nc1c2c(=O)n(Cc2cc(C)ccc2C)c(=O)n1C ZINC000008706134 569470478 /nfs/dbraw/zinc/47/04/78/569470478.db2.gz QKDIFVNPTGHNAA-QGZVFWFLSA-N 1 1 438.532 2.355 50 0 IEAAMO CC1=[NH+]N(C)c2nc3c(c(=O)n(Cc4ccc(Br)cc4)c(=O)n3C)n2[C@@H]1C ZINC000008725090 569472068 /nfs/dbraw/zinc/47/20/68/569472068.db2.gz ZWUNJVDABVVFSO-LLVKDONJSA-N 1 1 431.294 2.094 50 0 IEAAMO Cc1nn(C)c(C)c1NC(=O)[C@H](C)[NH+]1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1 ZINC000008726313 569472316 /nfs/dbraw/zinc/47/23/16/569472316.db2.gz QMSFAKRBVUSPAO-HNNXBMFYSA-N 1 1 427.505 2.443 50 0 IEAAMO COc1ccc(C(=O)NCCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1S(=O)(=O)N(C)C ZINC000040108504 569488538 /nfs/dbraw/zinc/48/85/38/569488538.db2.gz CUDCYLZOOXDZIK-CALCHBBNSA-N 1 1 425.595 2.433 50 0 IEAAMO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)c2cc(C3CC3)nc3c2c(C)nn3C)CC1 ZINC000040118809 569489362 /nfs/dbraw/zinc/48/93/62/569489362.db2.gz OWIIFYVLJMASQR-UHFFFAOYSA-N 1 1 426.565 2.170 50 0 IEAAMO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)c2cc(C3CC3)nc3c2c(C)nn3C)CC1 ZINC000040118809 569489363 /nfs/dbraw/zinc/48/93/63/569489363.db2.gz OWIIFYVLJMASQR-UHFFFAOYSA-N 1 1 426.565 2.170 50 0 IEAAMO CC[NH+]1CCN(C(=O)[C@@H]2CCCN(C(=O)c3cc(-c4ccccc4OC)on3)C2)CC1 ZINC000040391662 569501133 /nfs/dbraw/zinc/50/11/33/569501133.db2.gz PHRNFLJAYGNJTB-QGZVFWFLSA-N 1 1 426.517 2.367 50 0 IEAAMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)[C@H]1CCCN(S(=O)(=O)N2CCCCC2)C1 ZINC000245257879 569501571 /nfs/dbraw/zinc/50/15/71/569501571.db2.gz GASUHEQCZLYEHU-PMACEKPBSA-N 1 1 428.643 2.200 50 0 IEAAMO CCCn1c(N)c(C(=O)C[N@@H+]2CCCCC[C@H]2c2ccc(OC)cc2)c(=O)n(C)c1=O ZINC000009513121 569543106 /nfs/dbraw/zinc/54/31/06/569543106.db2.gz BQEIJQOWFJZDKG-SFHVURJKSA-N 1 1 428.533 2.348 50 0 IEAAMO CCCn1c(N)c(C(=O)C[N@H+]2CCCCC[C@H]2c2ccc(OC)cc2)c(=O)n(C)c1=O ZINC000009513121 569543107 /nfs/dbraw/zinc/54/31/07/569543107.db2.gz BQEIJQOWFJZDKG-SFHVURJKSA-N 1 1 428.533 2.348 50 0 IEAAMO COc1cc2c(cc1OC)CC(=O)N(CC(=O)N1CC[NH+](Cc3ccccc3)CC1)C=C2 ZINC000096224274 193937105 /nfs/dbraw/zinc/93/71/05/193937105.db2.gz WDDOKTIZMWDXDI-UHFFFAOYSA-N 1 1 435.524 2.404 50 0 IEAAMO CC[N@@H+](CC(=O)N1CCN(C(=O)c2cccs2)CC1)C[C@@H]1COc2ccccc2O1 ZINC000036726050 520313985 /nfs/dbraw/zinc/31/39/85/520313985.db2.gz JODHMTJVPZZRGP-QGZVFWFLSA-N 1 1 429.542 2.194 50 0 IEAAMO CC[N@H+](CC(=O)N1CCN(C(=O)c2cccs2)CC1)C[C@@H]1COc2ccccc2O1 ZINC000036726050 520313991 /nfs/dbraw/zinc/31/39/91/520313991.db2.gz JODHMTJVPZZRGP-QGZVFWFLSA-N 1 1 429.542 2.194 50 0 IEAAMO CC[N@@H+](CC(=O)NCc1cc(OC)c(OC)cc1OC)C[C@H]1COc2ccccc2O1 ZINC000012931106 520335290 /nfs/dbraw/zinc/33/52/90/520335290.db2.gz AJRWHOWHZWEKBN-KRWDZBQOSA-N 1 1 430.501 2.491 50 0 IEAAMO CC[N@H+](CC(=O)NCc1cc(OC)c(OC)cc1OC)C[C@H]1COc2ccccc2O1 ZINC000012931106 520335296 /nfs/dbraw/zinc/33/52/96/520335296.db2.gz AJRWHOWHZWEKBN-KRWDZBQOSA-N 1 1 430.501 2.491 50 0 IEAAMO CCOC(=O)C1CC[NH+]([C@@H](c2ccccn2)c2c(O)cc(C)n(CCOC)c2=O)CC1 ZINC000022697815 520579093 /nfs/dbraw/zinc/57/90/93/520579093.db2.gz HMFJMHYAVAPOMR-NRFANRHFSA-N 1 1 429.517 2.268 50 0 IEAAMO CCOC(=O)N1CCC([N@H+]2CCC[C@@H](CNS(=O)(=O)c3ccc(OC)cc3)C2)CC1 ZINC000012385158 520922477 /nfs/dbraw/zinc/92/24/77/520922477.db2.gz TWKUGAAVBDYBSG-KRWDZBQOSA-N 1 1 439.578 2.306 50 0 IEAAMO CCN1CC[NH+](CCCNC(=O)c2cccn2-c2nnc(N3CCCCC3)s2)CC1 ZINC000021535468 521681459 /nfs/dbraw/zinc/68/14/59/521681459.db2.gz HLGJAQTZXCLJKN-UHFFFAOYSA-N 1 1 431.610 2.077 50 0 IEAAMO CC[NH+]1CCN(c2nnc(-n3cccc3C(=O)NCc3ccc(OC)cc3)s2)CC1 ZINC000021535349 521701866 /nfs/dbraw/zinc/70/18/66/521701866.db2.gz YRNGJBAQDUGVRU-UHFFFAOYSA-N 1 1 426.546 2.409 50 0 IEAAMO CC[NH+]1CCN(c2nnc(-n3cccc3C(=O)NCc3ccc4c(c3)OCO4)s2)CC1 ZINC000021535360 521701881 /nfs/dbraw/zinc/70/18/81/521701881.db2.gz OTPHWRKMACMEBT-UHFFFAOYSA-N 1 1 440.529 2.129 50 0 IEAAMO CC[NH+]1CCN(c2nc3ncn(CC(=O)Nc4ccc(F)c(C)c4)c(=O)c3s2)CC1 ZINC000021886437 521701990 /nfs/dbraw/zinc/70/19/90/521701990.db2.gz GIZLRSFFDSDYFH-UHFFFAOYSA-N 1 1 430.509 2.081 50 0 IEAAMO COC(=O)c1c(OC(C)C)cc(=O)n2c1CC[N@@H+](Cc1ccc(NC(C)=O)cc1)CC2 ZINC000020450167 521773887 /nfs/dbraw/zinc/77/38/87/521773887.db2.gz RBVZECFUPXJQJX-UHFFFAOYSA-N 1 1 427.501 2.439 50 0 IEAAMO COC(=O)c1sc2nc(C)c3c(c2c1NC(=O)CN1CC[NH+](C)CC1)CC(C)(C)OC3 ZINC000020589923 522433082 /nfs/dbraw/zinc/43/30/82/522433082.db2.gz NVDCWIRUIIYNQY-UHFFFAOYSA-N 1 1 446.573 2.429 50 0 IEAAMO COc1cc(CNCc2n[nH]c(=O)c3ccccc23)ccc1OC[C@@H](O)C[N@@H+](C)C(C)C ZINC000012454936 522469803 /nfs/dbraw/zinc/46/98/03/522469803.db2.gz LZMLHVDRZRJZGC-SFHVURJKSA-N 1 1 440.544 2.301 50 0 IEAAMO COc1cc([C@@H]2NC(=[NH2+])Nc3nc4cc5c(cc4n32)OCCCO5)cc(OC)c1OC ZINC000012507748 522927995 /nfs/dbraw/zinc/92/79/95/522927995.db2.gz IPKYDCIGLZAXTC-LJQANCHMSA-N 1 1 425.445 2.320 50 0 IEAAMO COc1ccc(-c2cn3nc(N4CCC[C@@H](C(=O)N5CC[NH+](C)CC5)C4)sc3n2)cc1 ZINC000020531941 523144765 /nfs/dbraw/zinc/14/47/65/523144765.db2.gz IEXCJEIRQQXJQG-QGZVFWFLSA-N 1 1 440.573 2.457 50 0 IEAAMO COCCNC(=O)[C@H]1Cc2ccc(OC)cc2N2CC[N@@H+](Cc3ccc(F)cc3)C[C@H]12 ZINC000035871752 523921401 /nfs/dbraw/zinc/92/14/01/523921401.db2.gz FEKDISQAYPSORA-JTHBVZDNSA-N 1 1 427.520 2.460 50 0 IEAAMO COc1ccc(CC[N@@H+](C)[C@@H]2CCCN(S(=O)(=O)c3c(C)n[nH]c3C)C2)cc1OC ZINC000012302697 523940486 /nfs/dbraw/zinc/94/04/86/523940486.db2.gz KQOXJSLFRZPJGI-GOSISDBHSA-N 1 1 436.578 2.371 50 0 IEAAMO COc1ccccc1/C=C/C[N@@H+]1CCc2nnc([C@@H](NS(C)(=O)=O)C(C)C)n2CC1 ZINC000012190204 524319029 /nfs/dbraw/zinc/31/90/29/524319029.db2.gz KQHNTQRWJXMLFM-JCOOBLOPSA-N 1 1 433.578 2.105 50 0 IEAAMO C[C@@H](Cc1ccc2c(c1)OCO2)C[N@@H+]1CCc2nnc(CCNC(=O)C3CCC3)n2CC1 ZINC000012280694 524898632 /nfs/dbraw/zinc/89/86/32/524898632.db2.gz PJZWINPJAMLGAY-KRWDZBQOSA-N 1 1 439.560 2.203 50 0 IEAAMO COc1ccc(OC)c([C@H]2CN(C(=O)C3CCCC3)C[C@@H]2C(=O)N2CC[NH+](C)CC2)c1 ZINC000036059594 524915427 /nfs/dbraw/zinc/91/54/27/524915427.db2.gz NHISXLLYDQFZHI-RTWAWAEBSA-N 1 1 429.561 2.210 50 0 IEAAMO C[C@]1(CSc2ccccc2C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)NC(=O)NC1=O ZINC000012927754 525276260 /nfs/dbraw/zinc/27/62/60/525276260.db2.gz BNFWOLJKFQFEDZ-GAJHUEQPSA-N 1 1 438.553 2.381 50 0 IEAAMO Cc1ccc(OCC(=O)N2CC[C@@H]([NH+]3CCN(c4ccccc4F)CC3)[C@H](O)C2)cc1 ZINC000020537086 525383530 /nfs/dbraw/zinc/38/35/30/525383530.db2.gz UVAQDRGUTZVIQU-DHIUTWEWSA-N 1 1 427.520 2.297 50 0 IEAAMO COc1cccc(CNC(=O)Cn2c(C)nc3c(c2=O)CC[N@H+](Cc2ccccc2)C3)c1 ZINC000035456153 525976414 /nfs/dbraw/zinc/97/64/14/525976414.db2.gz ZGTWUVVCIOFIFL-UHFFFAOYSA-N 1 1 432.524 2.435 50 0 IEAAMO COc1cccc(CNC(=O)Cn2c(C)nc3c(c2=O)CC[N@@H+](Cc2ccccc2)C3)c1 ZINC000035456153 525976422 /nfs/dbraw/zinc/97/64/22/525976422.db2.gz ZGTWUVVCIOFIFL-UHFFFAOYSA-N 1 1 432.524 2.435 50 0 IEAAMO Cc1c2cnn(CC(=O)N3CC[NH+](C)CC3)c(=O)c2c(C)n1Cc1ccc(Cl)cc1 ZINC000020866813 525994106 /nfs/dbraw/zinc/99/41/06/525994106.db2.gz ZDDSLMPBHFADPY-UHFFFAOYSA-N 1 1 427.936 2.291 50 0 IEAAMO Cc1cc(=O)n2nc(N3CCC[C@H](C(=O)NCCC[N@H+](C)C4CCCCC4)C3)sc2n1 ZINC000021148508 526147093 /nfs/dbraw/zinc/14/70/93/526147093.db2.gz ICOPDRYRFLQATH-KRWDZBQOSA-N 1 1 446.621 2.447 50 0 IEAAMO COc1cccc(NC(=O)N2CCO[C@@H](C[N@@H+]3CCCN(C(=O)c4ccco4)CC3)C2)c1 ZINC000035881857 526187749 /nfs/dbraw/zinc/18/77/49/526187749.db2.gz KRJMAXVJLSOJAV-FQEVSTJZSA-N 1 1 442.516 2.369 50 0 IEAAMO COc1cccc(NC(=O)N2CCO[C@@H](C[N@H+]3CCCN(C(=O)c4ccco4)CC3)C2)c1 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CN(C[C@@H]1CCC[N@H+]2CCCC[C@@H]12)C(=O)C[C@@H]1NC(=O)N(CCc2ccccc2)C1=O ZINC000409415219 556641643 /nfs/dbraw/zinc/64/16/43/556641643.db2.gz XDWSWPFQNRNHEG-ACRUOGEOSA-N 1 1 426.561 2.263 50 0 IEAAMO COc1ccc(OCC(=O)Nc2ccc(S(=O)(=O)N[C@@H]3C[NH+]4CCC3CC4)cc2)cc1 ZINC000032925931 556655201 /nfs/dbraw/zinc/65/52/01/556655201.db2.gz QOUFVUOYRHCJST-OAQYLSRUSA-N 1 1 445.541 2.085 50 0 IEAAMO CCc1nnc(C(=O)Nc2ccc(C(=O)NCCC[NH+]3CCN(CC)CC3)cc2)s1 ZINC000033011438 556659284 /nfs/dbraw/zinc/65/92/84/556659284.db2.gz OESBGYOKAWFGBJ-UHFFFAOYSA-N 1 1 430.578 2.110 50 0 IEAAMO CC(C)Cc1nnc(C(=O)Nc2ccc(C(=O)NCCC[NH+]3CCOCC3)cc2)s1 ZINC000033011262 556659844 /nfs/dbraw/zinc/65/98/44/556659844.db2.gz NWILXUBGAUFJGQ-UHFFFAOYSA-N 1 1 431.562 2.441 50 0 IEAAMO COc1cc(CN2CC[N@H+](Cc3cccc(OCCO)c3)C[C@@H]2CCO)cc(OC)c1 ZINC000019226454 556716928 /nfs/dbraw/zinc/71/69/28/556716928.db2.gz XDTVNKISUIGHME-NRFANRHFSA-N 1 1 430.545 2.144 50 0 IEAAMO COc1cc(CN2CC[N@@H+](Cc3cccc(OCCO)c3)C[C@@H]2CCO)cc(OC)c1 ZINC000019226454 556716930 /nfs/dbraw/zinc/71/69/30/556716930.db2.gz XDTVNKISUIGHME-NRFANRHFSA-N 1 1 430.545 2.144 50 0 IEAAMO O=C(NC[C@@H]1CCC[N@@H+](Cc2cnc(N3CCOCC3)s2)C1)c1ccc2c(c1)OCO2 ZINC000019229384 556718020 /nfs/dbraw/zinc/71/80/20/556718020.db2.gz BORMWNAXNVUJTG-INIZCTEOSA-N 1 1 444.557 2.350 50 0 IEAAMO NC(=O)C[C@H]1C[C@@H](C(=O)Nc2ccccc2)[C@]2([NH2+]1)C(=O)Nc1ccc(Br)cc12 ZINC000062001542 556764378 /nfs/dbraw/zinc/76/43/78/556764378.db2.gz ADORHVNSIGQANF-AFBRZQFHSA-N 1 1 443.301 2.089 50 0 biogenic IEAAMO CCc1cc2c(ncnc2N2CCC[C@H](C(=O)NCCC[NH+]3CCN(C)CC3)C2)s1 ZINC000033078330 556853271 /nfs/dbraw/zinc/85/32/71/556853271.db2.gz IPZMCISUUOAUKF-KRWDZBQOSA-N 1 1 430.622 2.224 50 0 IEAAMO COCCS(=O)(=O)c1ncc(CN(C)CC[NH+]2CCCCC2)n1Cc1ccccc1 ZINC000020137316 556988460 /nfs/dbraw/zinc/98/84/60/556988460.db2.gz XTIVFHGFTKYYKI-UHFFFAOYSA-N 1 1 434.606 2.269 50 0 IEAAMO COC(=O)[C@@H](Cc1ccc(Cl)cc1)N1CC[NH+](C[C@@H](O)COc2ccccc2)CC1 ZINC000097141150 556992767 /nfs/dbraw/zinc/99/27/67/556992767.db2.gz YBMLXNWCGCYCTH-IFMALSPDSA-N 1 1 432.948 2.482 50 0 IEAAMO O=C1C[C@H](NCCC[NH+]2CCN(c3ccc(F)cc3)CC2)C(=O)N1c1ccc(F)cc1 ZINC000020189396 556996009 /nfs/dbraw/zinc/99/60/09/556996009.db2.gz QEUPTKDZCUXDII-NRFANRHFSA-N 1 1 428.483 2.399 50 0 IEAAMO CC[NH+]1CCN(C(=O)c2cn(C[C@@H]3CCCO3)cc3c(=O)n(-c4ccccc4)nc2-3)CC1 ZINC000017288409 557045593 /nfs/dbraw/zinc/04/55/93/557045593.db2.gz AFRLXKNNAFOGTE-IBGZPJMESA-N 1 1 435.528 2.096 50 0 IEAAMO Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)N2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000017357997 557063792 /nfs/dbraw/zinc/06/37/92/557063792.db2.gz HDKYRCORJCOIHY-UHFFFAOYSA-N 1 1 446.573 2.037 50 0 IEAAMO Cc1nonc1C(=O)N1CCC[C@@H](CCC(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000023338853 557085144 /nfs/dbraw/zinc/08/51/44/557085144.db2.gz FZQANGTWYGLRBG-FQEVSTJZSA-N 1 1 425.533 2.355 50 0 IEAAMO O=C(N[C@H](Cc1c[nH]c2ccccc12)C(=O)NCCC[NH+]1CCOCC1)c1cccs1 ZINC000025500224 557212251 /nfs/dbraw/zinc/21/22/51/557212251.db2.gz MEFCJZWXRAQVRS-HXUWFJFHSA-N 1 1 440.569 2.409 50 0 IEAAMO C[NH+]1CCN(C(=O)[C@H]2CCCN(S(=O)(=O)Cc3ccc(Cl)c(Cl)c3)C2)CC1 ZINC000026110223 557234450 /nfs/dbraw/zinc/23/44/50/557234450.db2.gz SOCRZORZMRISJF-HNNXBMFYSA-N 1 1 434.389 2.309 50 0 IEAAMO O=C1c2ccccc2C(=O)N1C[C@@H](O)C[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000024940572 557260309 /nfs/dbraw/zinc/26/03/09/557260309.db2.gz SWYLKBQJFHANFU-KRWDZBQOSA-N 1 1 433.430 2.485 50 0 IEAAMO COc1ccc([C@@H](CNc2c(=O)c(=O)c2N2CCN(Cc3ccccc3)CC2)[NH+](C)C)cc1 ZINC000101702132 557294203 /nfs/dbraw/zinc/29/42/03/557294203.db2.gz YVCHHFGNVJBDMU-JOCHJYFZSA-N 1 1 448.567 2.328 50 0 IEAAMO O=C(CN1C(=O)N[C@]2(CCCc3sccc32)C1=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000014136580 557309314 /nfs/dbraw/zinc/30/93/14/557309314.db2.gz OYTYVVSYRXIYDM-QHCPKHFHSA-N 1 1 438.553 2.176 50 0 IEAAMO Cc1ccc(NC(=O)C[N@@H+]2CC[C@@H]2Cc2ccccc2)cc1S(=O)(=O)N1CCOCC1 ZINC000072311984 557333348 /nfs/dbraw/zinc/33/33/48/557333348.db2.gz WWEKGNCNCJCKJB-OAQYLSRUSA-N 1 1 443.569 2.271 50 0 IEAAMO Cc1ccc(NC(=O)C[N@H+]2CC[C@@H]2Cc2ccccc2)cc1S(=O)(=O)N1CCOCC1 ZINC000072311984 557333349 /nfs/dbraw/zinc/33/33/49/557333349.db2.gz WWEKGNCNCJCKJB-OAQYLSRUSA-N 1 1 443.569 2.271 50 0 IEAAMO CCN(CC)S(=O)(=O)c1cccc(NC(=O)C[N@@H+]2CC[C@@H](C(C)(C)C)[C@@H](O)C2)c1 ZINC000222200638 557334478 /nfs/dbraw/zinc/33/44/78/557334478.db2.gz GYGCGVYJJXPUMQ-MOPGFXCFSA-N 1 1 425.595 2.385 50 0 IEAAMO CCN(CC)S(=O)(=O)c1cccc(NC(=O)C[N@H+]2CC[C@@H](C(C)(C)C)[C@@H](O)C2)c1 ZINC000222200638 557334479 /nfs/dbraw/zinc/33/44/79/557334479.db2.gz GYGCGVYJJXPUMQ-MOPGFXCFSA-N 1 1 425.595 2.385 50 0 IEAAMO CN(C[C@@H]1CCC[N@H+]2CCCC[C@H]12)C(=O)[C@@H]1CC(=O)N(Cc2ccc3c(c2)OCO3)C1 ZINC000257199055 557395371 /nfs/dbraw/zinc/39/53/71/557395371.db2.gz QRSFJDJBEBPKDB-XUVXKRRUSA-N 1 1 427.545 2.487 50 0 biogenic IEAAMO CCOc1ccccc1CN1CCNC(=O)[C@@H]1CC(=O)N1CCC[N@H+](C2CCCC2)CC1 ZINC000012051961 557525310 /nfs/dbraw/zinc/52/53/10/557525310.db2.gz YJRBVDJQVGNVQK-QFIPXVFZSA-N 1 1 442.604 2.253 50 0 IEAAMO Cc1c(C(=O)N2C[C@H](C)O[C@@H](C)C2)nnn1-c1cccc2c1CC[N@H+](C1CCOCC1)C2 ZINC000106870733 557533048 /nfs/dbraw/zinc/53/30/48/557533048.db2.gz HTRZIWCRRISDPW-IRXDYDNUSA-N 1 1 439.560 2.362 50 0 IEAAMO COc1cccc([C@@]2(CC(=O)N3CC[NH+](Cc4cccc(C)c4)CC3)CC(=O)N(C)C2=O)c1 ZINC000299794215 568757653 /nfs/dbraw/zinc/75/76/53/568757653.db2.gz JDEASEYIDOBLLP-SANMLTNESA-N 1 1 449.551 2.365 50 0 IEAAMO COC(=O)c1sc(NC(=O)CC[N@H+]2CCC[C@H](C3OCCO3)C2)c(C(=O)OC)c1C ZINC000084026733 568789884 /nfs/dbraw/zinc/78/98/84/568789884.db2.gz PVCFVHASRFKKFM-ZDUSSCGKSA-N 1 1 440.518 2.043 50 0 IEAAMO Cc1c(C(=O)NC[C@@H]2CCCO2)nnn1-c1cccc2c1CC[N@H+](C1CCOCC1)C2 ZINC000084060869 568790785 /nfs/dbraw/zinc/79/07/85/568790785.db2.gz GHXBFVIZLNJNEM-IBGZPJMESA-N 1 1 425.533 2.022 50 0 IEAAMO CCc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc4c(c3)OCO4)C(=O)[C@@H]2[C@@H]2CCC[N@H+]21 ZINC000016032752 568867643 /nfs/dbraw/zinc/86/76/43/568867643.db2.gz AOGIBEHNSIMDBK-DNBVQBCISA-N 1 1 445.475 2.409 50 0 biogenic IEAAMO COc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2CCC[N@@H+]2[C@]32c3cc(OC)ccc3NC2=O)cc1 ZINC000035780136 568896382 /nfs/dbraw/zinc/89/63/82/568896382.db2.gz IONSZNNLTKXDEU-CMCWBKRRSA-N 1 1 433.464 2.135 50 0 biogenic IEAAMO COc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2CCC[N@H+]2[C@]32c3cc(OC)ccc3NC2=O)cc1 ZINC000035780136 568896385 /nfs/dbraw/zinc/89/63/85/568896385.db2.gz IONSZNNLTKXDEU-CMCWBKRRSA-N 1 1 433.464 2.135 50 0 biogenic IEAAMO CCN1c2ccccc2[C@]2(C1=O)[C@@H]1C(=O)N(c3ccc4c(c3)OCO4)C(=O)[C@@H]1[C@@H]1CCC[N@H+]12 ZINC000026771808 568916754 /nfs/dbraw/zinc/91/67/54/568916754.db2.gz KYYGTNDHBWVTCN-DNBVQBCISA-N 1 1 445.475 2.261 50 0 biogenic IEAAMO NC(=O)[C@@H]1[C@@H]2C(=O)N(c3cccc(Br)c3)C(=O)[C@H]2[C@@H]2c3ccccc3C=C[N@@H+]21 ZINC000247748695 568918548 /nfs/dbraw/zinc/91/85/48/568918548.db2.gz RJFJWJWGAQJHFA-BDXSIMOUSA-N 1 1 438.281 2.450 50 0 IEAAMO NC(=O)[C@@H]1[C@@H]2C(=O)N(c3cccc(Br)c3)C(=O)[C@H]2[C@@H]2c3ccccc3C=C[N@H+]21 ZINC000247748695 568918550 /nfs/dbraw/zinc/91/85/50/568918550.db2.gz RJFJWJWGAQJHFA-BDXSIMOUSA-N 1 1 438.281 2.450 50 0 IEAAMO CCOC[C@@H](O)C[N@@H+](Cc1nc(=O)c2c(C)c(C(=O)OCC)sc2[nH]1)CC(C)C ZINC000036206622 568973131 /nfs/dbraw/zinc/97/31/31/568973131.db2.gz GUJPVOXYCKJIAB-AWEZNQCLSA-N 1 1 425.551 2.325 50 0 IEAAMO CCOC[C@@H](O)C[N@H+](Cc1nc(=O)c2c(C)c(C(=O)OCC)sc2[nH]1)CC(C)C ZINC000036206622 568973132 /nfs/dbraw/zinc/97/31/32/568973132.db2.gz GUJPVOXYCKJIAB-AWEZNQCLSA-N 1 1 425.551 2.325 50 0 IEAAMO COCCN(C[C@@H]1C[N@H+](C[C@@H](O)Cc2ccccc2)CCO1)C(=O)c1ccc(OC)cc1 ZINC000169680625 568992019 /nfs/dbraw/zinc/99/20/19/568992019.db2.gz CMIGGOHWXRUVPC-UPVQGACJSA-N 1 1 442.556 2.088 50 0 IEAAMO COCCN(C[C@@H]1C[N@@H+](C[C@@H](O)Cc2ccccc2)CCO1)C(=O)c1ccc(OC)cc1 ZINC000169680625 568992022 /nfs/dbraw/zinc/99/20/22/568992022.db2.gz CMIGGOHWXRUVPC-UPVQGACJSA-N 1 1 442.556 2.088 50 0 IEAAMO CCn1c2c(C(=O)NCC(C)C)cnn2c(=O)c2c1CC[N@H+](Cc1ccc(OC)cc1)C2 ZINC000064967768 569001408 /nfs/dbraw/zinc/00/14/08/569001408.db2.gz SNBPITUVVHKZMQ-UHFFFAOYSA-N 1 1 437.544 2.469 50 0 IEAAMO CCn1c2c(C(=O)NCC(C)C)cnn2c(=O)c2c1CC[N@@H+](Cc1ccc(OC)cc1)C2 ZINC000064967768 569001410 /nfs/dbraw/zinc/00/14/10/569001410.db2.gz SNBPITUVVHKZMQ-UHFFFAOYSA-N 1 1 437.544 2.469 50 0 IEAAMO CC(C)(C)C(=O)Nc1ccc(-n2cccc(C(=O)NCCC[NH+]3CCOCC3)c2=O)cc1 ZINC000065062732 569097234 /nfs/dbraw/zinc/09/72/34/569097234.db2.gz ZJTCMEPXSDAOMP-UHFFFAOYSA-N 1 1 440.544 2.274 50 0 IEAAMO C[C@H]1CCCC[N@H+]1CCNC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)CCN3C(=O)C2CC2)C1 ZINC000065195575 569115481 /nfs/dbraw/zinc/11/54/81/569115481.db2.gz UMXLZOCLDJHDOJ-FXAWDEMLSA-N 1 1 438.572 2.329 50 0 IEAAMO O=C(NCC[N@H+]1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2)c1cc(-c2ccc3c(c2)CCO3)n[nH]1 ZINC000524730539 569126081 /nfs/dbraw/zinc/12/60/81/569126081.db2.gz MNRNZJXHHZWLCM-APWZRJJASA-N 1 1 445.523 2.022 50 0 biogenic IEAAMO COc1ccc2c(ccn2CCC(=O)NCC[N@H+]2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)c1 ZINC000524731333 569126475 /nfs/dbraw/zinc/12/64/75/569126475.db2.gz TYRPWOACPOMNCN-QUCCMNQESA-N 1 1 434.540 2.437 50 0 biogenic IEAAMO COCCn1cc(C(=O)NCC[N@H+]2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)c2ccccc21 ZINC000524732193 569126847 /nfs/dbraw/zinc/12/68/47/569126847.db2.gz FZVDQMMLCNNGFJ-MOPGFXCFSA-N 1 1 434.540 2.299 50 0 biogenic IEAAMO COc1ccc(Cn2c3cc(C(=O)N4CC[NH+](C)CC4)ccc3n3nccc3c2=O)cc1 ZINC000065270974 569127700 /nfs/dbraw/zinc/12/77/00/569127700.db2.gz XKEYRCMVXAPZIA-UHFFFAOYSA-N 1 1 431.496 2.094 50 0 IEAAMO CN(C)c1ccc(-c2cncc(C(=O)N3CCN(CC[N@H+]4CCCOCC4)CC3)c2)cc1 ZINC000170600536 569142814 /nfs/dbraw/zinc/14/28/14/569142814.db2.gz FWJKYTASPNHBBA-UHFFFAOYSA-N 1 1 437.588 2.295 50 0 IEAAMO CN1CC[NH+](CCOc2ccc(NC(=O)C(=O)N3CCc4c3cc(F)cc4F)cc2)CC1 ZINC000170617144 569147166 /nfs/dbraw/zinc/14/71/66/569147166.db2.gz BORKZJUPWAYGRR-UHFFFAOYSA-N 1 1 444.482 2.119 50 0 IEAAMO CCC(CC)[C@H](CNC(=O)c1ccc2c(c1)C[C@@H](C)N2S(C)(=O)=O)[NH+]1CCOCC1 ZINC000037330482 569148739 /nfs/dbraw/zinc/14/87/39/569148739.db2.gz URAASHRYDMITRV-IERDGZPVSA-N 1 1 437.606 2.264 50 0 IEAAMO Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2C)cc1C(=O)N1CC[N@@H+](C[C@@H](C)O)[C@@H](C)C1 ZINC000089643133 569160434 /nfs/dbraw/zinc/16/04/34/569160434.db2.gz FGCFOBOEVXFZHN-GBESFXJTSA-N 1 1 437.606 2.085 50 0 IEAAMO Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2C)cc1C(=O)N1CC[N@H+](C[C@@H](C)O)[C@@H](C)C1 ZINC000089643133 569160435 /nfs/dbraw/zinc/16/04/35/569160435.db2.gz FGCFOBOEVXFZHN-GBESFXJTSA-N 1 1 437.606 2.085 50 0 IEAAMO C[C@H]1NC(C(=O)N(CCC[NH+]2CCOCC2)c2ccccc2)=NN(c2ccccc2)C1=O ZINC000089919819 569167779 /nfs/dbraw/zinc/16/77/79/569167779.db2.gz RUXHLLTXECSPHX-LJQANCHMSA-N 1 1 435.528 2.080 50 0 IEAAMO O=C(CNC(=O)C[N@@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1)Nc1ccc(F)c(F)c1 ZINC000027572538 569273689 /nfs/dbraw/zinc/27/36/89/569273689.db2.gz LUSHXZKYKVYKQI-HNNXBMFYSA-N 1 1 430.455 2.370 50 0 IEAAMO O=C(CNC(=O)C[N@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1)Nc1ccc(F)c(F)c1 ZINC000027572538 569273691 /nfs/dbraw/zinc/27/36/91/569273691.db2.gz LUSHXZKYKVYKQI-HNNXBMFYSA-N 1 1 430.455 2.370 50 0 IEAAMO Cc1ccc(S(=O)(=O)NC(=N)NCCC[NH+]2CCN(c3ccc(F)cc3)CC2)cc1C ZINC000013366806 569289920 /nfs/dbraw/zinc/28/99/20/569289920.db2.gz QAXXCIHWEKDBFH-UHFFFAOYSA-N 1 1 447.580 2.458 50 0 IEAAMO CCC[N@@H+](CC(=O)c1c(N)n(C2CC2)c(=O)[nH]c1=O)[C@@H]1C[C@H](OCC)C12CCCCC2 ZINC000078876574 569319814 /nfs/dbraw/zinc/31/98/14/569319814.db2.gz PVHSJTZQLWETLT-MSOLQXFVSA-N 1 1 432.565 2.476 50 0 IEAAMO C[C@H]1C[C@H](NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)C[N@@H+]1Cc1ccccc1 ZINC000079100047 569325504 /nfs/dbraw/zinc/32/55/04/569325504.db2.gz QELNPCHHPKVLMX-UGKGYDQZSA-N 1 1 429.586 2.460 50 0 IEAAMO C[C@H]1C[C@H](NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)C[N@H+]1Cc1ccccc1 ZINC000079100047 569325505 /nfs/dbraw/zinc/32/55/05/569325505.db2.gz QELNPCHHPKVLMX-UGKGYDQZSA-N 1 1 429.586 2.460 50 0 IEAAMO COc1ccc(CC[NH2+][C@H]2CS(=O)(=O)C[C@@H]2S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000019797251 569329673 /nfs/dbraw/zinc/32/96/73/569329673.db2.gz DGGYLQQEGRNWPZ-OALUTQOASA-N 1 1 443.974 2.120 50 0 IEAAMO O=C(CN1C(=O)/C(=C\c2ccc(F)cc2)Oc2ccccc21)NCCC[NH+]1CCOCC1 ZINC000020180813 569355111 /nfs/dbraw/zinc/35/51/11/569355111.db2.gz GOSVUZJHHGEUQU-CJLVFECKSA-N 1 1 439.487 2.431 50 0 IEAAMO COc1ccc(-c2nc(C[S@@](=O)CC(=O)NCC[NH+]3CCCC3)c(C)o2)cc1OC ZINC000020241740 569358039 /nfs/dbraw/zinc/35/80/39/569358039.db2.gz HSWUCZCUXUCVGV-PMERELPUSA-N 1 1 435.546 2.128 50 0 IEAAMO CC[NH+]1CCN([C@H](c2cccs2)[C@@H](C)NC(=O)C(=O)NCc2ccc(F)cc2)CC1 ZINC000020287926 569359387 /nfs/dbraw/zinc/35/93/87/569359387.db2.gz VKEBUWGYFCUQRH-UZLBHIALSA-N 1 1 432.565 2.387 50 0 IEAAMO CCOC(=O)c1cnn(-c2ccc(C(=O)NCCCC[N@H+]3CCC[C@@H]3CO)cc2)c1C ZINC000095428341 569366166 /nfs/dbraw/zinc/36/61/66/569366166.db2.gz PHVVEBQYQKHEJH-HXUWFJFHSA-N 1 1 428.533 2.324 50 0 IEAAMO C[N@@H+](CCCNS(C)(=O)=O)CC(=O)N1CCc2sccc2[C@@H]1c1cccs1 ZINC000095434301 569366381 /nfs/dbraw/zinc/36/63/81/569366381.db2.gz HXIXSIWEHQCDLS-GOSISDBHSA-N 1 1 427.617 2.155 50 0 IEAAMO O=C(C[C@H](Cn1cnnn1)c1ccc(Cl)cc1)N1CC[NH+](CCc2ccccn2)CC1 ZINC000095472679 569372166 /nfs/dbraw/zinc/37/21/66/569372166.db2.gz XEYPNJDUWCDNTK-LJQANCHMSA-N 1 1 439.951 2.282 50 0 IEAAMO O=C(C[C@H](Cn1cnnn1)c1ccc(Cl)cc1)N1CC[NH+](CCc2ccncc2)CC1 ZINC000095480215 569373836 /nfs/dbraw/zinc/37/38/36/569373836.db2.gz HALNVVHGIFIFNR-HXUWFJFHSA-N 1 1 439.951 2.282 50 0 IEAAMO O=C(Cn1nnc(-c2ccc(Cl)cc2)n1)NCc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC000096011733 569379928 /nfs/dbraw/zinc/37/99/28/569379928.db2.gz YRHRAEKZRQAMAF-FQEVSTJZSA-N 1 1 440.935 2.267 50 0 IEAAMO O=c1c2ccccc2c(CNS(=O)(=O)c2c(F)cccc2F)nn1CC[NH+]1CCCC1 ZINC000096096336 569381171 /nfs/dbraw/zinc/38/11/71/569381171.db2.gz LTYRMRYGYAHMII-UHFFFAOYSA-N 1 1 448.495 2.249 50 0 IEAAMO CC[NH+]1CCN(C(=O)Cn2c3ccc(C)cc3c(=O)n(-c3cccc(Cl)c3)c2=O)CC1 ZINC000096318014 569393675 /nfs/dbraw/zinc/39/36/75/569393675.db2.gz GYPKDWKCVRGMDU-UHFFFAOYSA-N 1 1 440.931 2.278 50 0 IEAAMO O=C(C[N@@H+]1CCS[C@@H]2CCCC[C@H]21)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000230172510 569439881 /nfs/dbraw/zinc/43/98/81/569439881.db2.gz MXOJQYUNUUOPDW-RTBURBONSA-N 1 1 439.603 2.006 50 0 IEAAMO O=C(C[N@H+]1CCS[C@@H]2CCCC[C@H]21)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000230172510 569439882 /nfs/dbraw/zinc/43/98/82/569439882.db2.gz MXOJQYUNUUOPDW-RTBURBONSA-N 1 1 439.603 2.006 50 0 IEAAMO CNC(=O)c1cc(S(=O)(=O)NCC[N@H+]2CC[C@H](c3ccccc3C)C2)ccc1OC ZINC000670435047 569444117 /nfs/dbraw/zinc/44/41/17/569444117.db2.gz LNMGINSDCCICBA-KRWDZBQOSA-N 1 1 431.558 2.131 50 0 IEAAMO O=C(COc1cccc(NC(=O)C2CC2)c1)NCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000031824421 569458062 /nfs/dbraw/zinc/45/80/62/569458062.db2.gz UFPBHRYGLVFPOJ-UHFFFAOYSA-N 1 1 440.519 2.491 50 0 IEAAMO CCOCCN1[NH+]=C(C)[C@@H](C)n2c1nc1c2c(=O)n(Cc2ccc(Cl)cc2)c(=O)n1C ZINC000008706268 569470462 /nfs/dbraw/zinc/47/04/62/569470462.db2.gz KLVCCLVKZLLOHT-CQSZACIVSA-N 1 1 444.923 2.392 50 0 IEAAMO O=C(C[NH+]1CCC2(CC1)NC(=O)N(Cc1ccc(F)cc1)C2=O)NCCc1ccccc1 ZINC000008769303 569475079 /nfs/dbraw/zinc/47/50/79/569475079.db2.gz ZUWCQOANQBXUTJ-UHFFFAOYSA-N 1 1 438.503 2.071 50 0 IEAAMO C[C@@H](c1ccc(S(N)(=O)=O)cc1)[N@H+](C)CC(=O)Nc1ccc2c(c1)OC(F)(F)O2 ZINC000039972235 569482117 /nfs/dbraw/zinc/48/21/17/569482117.db2.gz CRMPYZSYIBTSFD-NSHDSACASA-N 1 1 427.429 2.287 50 0 IEAAMO C[C@@H](c1ccc(S(N)(=O)=O)cc1)[N@@H+](C)CC(=O)Nc1ccc2c(c1)OC(F)(F)O2 ZINC000039972235 569482118 /nfs/dbraw/zinc/48/21/18/569482118.db2.gz CRMPYZSYIBTSFD-NSHDSACASA-N 1 1 427.429 2.287 50 0 IEAAMO Cn1c2ccccc2c2cnn(CC(=O)NCCC[N@H+]3CCc4ccccc4C3)c(=O)c21 ZINC000008932987 569487731 /nfs/dbraw/zinc/48/77/31/569487731.db2.gz XXQCKTDBNFRWAR-UHFFFAOYSA-N 1 1 429.524 2.453 50 0 IEAAMO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)c2cc(C(C)C)nc3c2c(C)nn3C)CC1 ZINC000040118810 569489369 /nfs/dbraw/zinc/48/93/69/569489369.db2.gz XIWMZKYWUSFEHH-UHFFFAOYSA-N 1 1 428.581 2.416 50 0 IEAAMO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)c2cc(C(C)C)nc3c2c(C)nn3C)CC1 ZINC000040118810 569489370 /nfs/dbraw/zinc/48/93/70/569489370.db2.gz XIWMZKYWUSFEHH-UHFFFAOYSA-N 1 1 428.581 2.416 50 0 IEAAMO C[C@@H]1C[N@H+](C2CCN(C(=O)c3cccc(S(=O)(=O)N4CCCCC4)c3)CC2)CCO1 ZINC000040135645 569490685 /nfs/dbraw/zinc/49/06/85/569490685.db2.gz AQRBPFDTAKLMLY-GOSISDBHSA-N 1 1 435.590 2.187 50 0 IEAAMO CCOC(=O)c1ccc(NC(=O)[C@H]2C[C@H]([C@@H](C)O)[NH2+][C@]23C(=O)Nc2ccc(F)cc23)cc1 ZINC000008971799 569492743 /nfs/dbraw/zinc/49/27/43/569492743.db2.gz CBPOOYULSIEABU-LEYSOZLDSA-N 1 1 441.459 2.147 50 0 IEAAMO Cc1ccnc(Oc2ccc(C(=O)NCCNc3cc(N4CCOCC4)[nH+]c(C)n3)cc2)n1 ZINC000070655621 569550090 /nfs/dbraw/zinc/55/00/90/569550090.db2.gz IWZVQEDHQBTAKK-UHFFFAOYSA-N 1 1 449.515 2.354 50 0 IEAAMO C[NH+]1CCN(c2ccc(S(=O)(=O)N3CCCCC3)cc2NC(=O)c2ccco2)CC1 ZINC000009662919 569557177 /nfs/dbraw/zinc/55/71/77/569557177.db2.gz AKRCQAQMGTZPFD-UHFFFAOYSA-N 1 1 432.546 2.458 50 0 IEAAMO O=C(c1cnccn1)N1CC(C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)C1 ZINC000070841430 569560252 /nfs/dbraw/zinc/56/02/52/569560252.db2.gz JVSTUXBPTAVWOO-UHFFFAOYSA-N 1 1 441.535 2.482 50 0 IEAAMO COc1ccc(S(=O)(=O)N2CCN(C(=O)C[N@H+]3CCC[C@@H]3c3cccs3)CC2)cc1 ZINC000010277210 569580390 /nfs/dbraw/zinc/58/03/90/569580390.db2.gz GPXTXLXSRSMTHO-LJQANCHMSA-N 1 1 449.598 2.427 50 0 IEAAMO O=C(CN1CC[NH+](CCn2ccnc2-c2ccccc2)CC1)NCc1ccc2c(c1)OCO2 ZINC000077159521 569585803 /nfs/dbraw/zinc/58/58/03/569585803.db2.gz UGAQIYYCHGJRDL-UHFFFAOYSA-N 1 1 447.539 2.213 50 0 IEAAMO C[C@@H]1CCC[N@@H+](CCCNC(=O)C(=O)Nc2ccc3nc4n(c(=O)c3c2)CCCCC4)C1 ZINC000020418993 569587099 /nfs/dbraw/zinc/58/70/99/569587099.db2.gz KSQOEIMVONMOEL-QGZVFWFLSA-N 1 1 439.560 2.300 50 0 IEAAMO CCn1c2cc(NC(=O)C[NH+]3CCCC3)c(N3CCCCC3)cc2n(CC)c(=O)c1=O ZINC000009879961 132330728 /nfs/dbraw/zinc/33/07/28/132330728.db2.gz OLVAEEAXXCRCRD-UHFFFAOYSA-N 1 1 427.549 2.228 50 0 IEAAMO CC(C)N1C(=O)NC(=O)[C@]2(Cc3ccccc3N3CC[N@@H+](Cc4ccccc4)C[C@@H]32)C1=O ZINC000020567654 519667685 /nfs/dbraw/zinc/66/76/85/519667685.db2.gz ZJFYNNZOLAKHQD-PXDATVDWSA-N 1 1 432.524 2.407 50 0 IEAAMO CC(C)CN(C(=O)C[N@@H+](C)C1CCCC1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000012914251 519704845 /nfs/dbraw/zinc/70/48/45/519704845.db2.gz RDELMQSRFVHCQU-UHFFFAOYSA-N 1 1 427.549 2.031 50 0 IEAAMO CC(=O)Oc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H]2CCC[N@H+]2[C@]32c3ccccc3NC2=O)cc1 ZINC000020504076 519759464 /nfs/dbraw/zinc/75/94/64/519759464.db2.gz RDYYNNNAKVQNDY-MTXNFPGFSA-N 1 1 431.448 2.043 50 0 IEAAMO CC(C)C[C@@H](CNC(=O)CCNC(=O)c1ccc(Br)cc1)[NH+]1CCOCC1 ZINC000022611710 519776568 /nfs/dbraw/zinc/77/65/68/519776568.db2.gz IYDTUCNEBNWWTR-SFHVURJKSA-N 1 1 440.382 2.432 50 0 IEAAMO CCOC(=O)C1CC[NH+]([C@H](c2ccncc2)c2c(O)cc(C)n(CCOC)c2=O)CC1 ZINC000022697891 520583667 /nfs/dbraw/zinc/58/36/67/520583667.db2.gz MZWHLFFOMAVPSH-OAQYLSRUSA-N 1 1 429.517 2.268 50 0 IEAAMO CCN(CC)S(=O)(=O)c1ccc(NC(=O)CN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000022917821 520802482 /nfs/dbraw/zinc/80/24/82/520802482.db2.gz UJKVJDTVAFVRIX-UHFFFAOYSA-N 1 1 444.601 2.473 50 0 IEAAMO CCOC(=O)N1CCC2(CC1)OC(=O)C(C)=C2C(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000020531919 520934194 /nfs/dbraw/zinc/93/41/94/520934194.db2.gz BDVAMMBIUBZHQE-CALCHBBNSA-N 1 1 435.565 2.335 50 0 biogenic IEAAMO CCOc1ccc(C[N@@H+]2CCc3nnc(CNS(=O)(=O)c4ccccc4)n3CC2)cc1 ZINC000020774329 520979595 /nfs/dbraw/zinc/97/95/95/520979595.db2.gz HLXHBJLPTOFUTM-UHFFFAOYSA-N 1 1 441.557 2.214 50 0 IEAAMO CC1CC[NH+]([C@@H](CNC(=O)C2=CC=CN3CCS(=O)(=O)N=C23)c2cccs2)CC1 ZINC000012799409 521034612 /nfs/dbraw/zinc/03/46/12/521034612.db2.gz VTYRSOMLXFDKEU-KRWDZBQOSA-N 1 1 434.587 2.135 50 0 IEAAMO CC[NH+]1CCN(C(=O)CCN(CCOC)C(=O)c2cc(-c3ccc(C)cc3)on2)CC1 ZINC000036002293 521662676 /nfs/dbraw/zinc/66/26/76/521662676.db2.gz QNSTXDKZAXLLPR-UHFFFAOYSA-N 1 1 428.533 2.293 50 0 IEAAMO CC[NH+]1CCN(C(=O)C[C@H]2CSc3nc4c(cnn4-c4cccc(C)c4)c(=O)n32)CC1 ZINC000022768364 521663986 /nfs/dbraw/zinc/66/39/86/521663986.db2.gz SXLPBPGQQFBOFY-KRWDZBQOSA-N 1 1 438.557 2.092 50 0 IEAAMO CCN1CCN(C[C@@H](O)COc2ccc(C[NH2+]CCc3ccccc3)cc2OC)CC1 ZINC000020540396 521685216 /nfs/dbraw/zinc/68/52/16/521685216.db2.gz YSZIXWPMLLUXJE-HSZRJFAPSA-N 1 1 427.589 2.405 50 0 IEAAMO CCN1CCN(C[C@H](O)COc2ccc(C[NH2+]CCc3ccccc3)cc2OC)CC1 ZINC000020540398 521687238 /nfs/dbraw/zinc/68/72/38/521687238.db2.gz YSZIXWPMLLUXJE-QHCPKHFHSA-N 1 1 427.589 2.405 50 0 IEAAMO CN(C)S(=O)(=O)c1ccc2c(c1)CCCN2C(=O)C[N@@H+]1CCC[C@H]1c1cccn1C ZINC000012818155 521988652 /nfs/dbraw/zinc/98/86/52/521988652.db2.gz DQEZKZAMJUPRAE-NRFANRHFSA-N 1 1 430.574 2.392 50 0 IEAAMO CN(C)S(=O)(=O)c1ccc2c(c1)CCCN2C(=O)C[N@H+]1CCC[C@H]1c1cccn1C ZINC000012818155 521988666 /nfs/dbraw/zinc/98/86/66/521988666.db2.gz DQEZKZAMJUPRAE-NRFANRHFSA-N 1 1 430.574 2.392 50 0 IEAAMO COc1cc(=O)n2c(c1C(=O)N[C@@H](C)c1ccco1)CC[N@@H+](Cc1cnn(C)c1C)CC2 ZINC000020454213 522019813 /nfs/dbraw/zinc/01/98/13/522019813.db2.gz DMMWGTUIFRXCSI-HNNXBMFYSA-N 1 1 439.516 2.041 50 0 IEAAMO COc1cc(=O)n2c(c1C(=O)N[C@@H](C)c1ccco1)CC[N@H+](Cc1cnn(C)c1C)CC2 ZINC000020454213 522019818 /nfs/dbraw/zinc/01/98/18/522019818.db2.gz DMMWGTUIFRXCSI-HNNXBMFYSA-N 1 1 439.516 2.041 50 0 IEAAMO COC(=O)c1ccc([C@H]2C(C(=O)OC)=C(C)C=C([NH+]3CCOCC3)[C@H]2C(=O)OC)cc1 ZINC000012402738 522172605 /nfs/dbraw/zinc/17/26/05/522172605.db2.gz DHTOEOYYVHNGHH-VQTJNVASSA-N 1 1 429.469 2.065 50 0 IEAAMO COc1cc(C[N@@H+](C)CCOc2ccccc2)ccc1OC[C@H](O)CN1CCOCC1 ZINC000012581915 522351956 /nfs/dbraw/zinc/35/19/56/522351956.db2.gz ANKAOUSYXGCHPK-OAQYLSRUSA-N 1 1 430.545 2.278 50 0 IEAAMO COc1cc(OC)c(C[N@H+]2CCc3nnc([C@@H](C)NC(=O)C(C)C)n3CC2)c(OC)c1 ZINC000012244118 522792124 /nfs/dbraw/zinc/79/21/24/522792124.db2.gz XBCKVYHFAOFRIO-OAHLLOKOSA-N 1 1 431.537 2.195 50 0 IEAAMO COc1cc(OC)c(C[N@@H+]2CCc3nnc([C@@H](C)NC(=O)C(C)C)n3CC2)c(OC)c1 ZINC000012244118 522792134 /nfs/dbraw/zinc/79/21/34/522792134.db2.gz XBCKVYHFAOFRIO-OAHLLOKOSA-N 1 1 431.537 2.195 50 0 IEAAMO COc1cc(OC)c([C@H]2NC(=[NH2+])Nc3nc4cc5c(cc4n32)OCCCO5)cc1OC ZINC000012507610 522834541 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Cc1ccc(CN2CCC[N@@H+](CCCNC(=O)c3nc(-c4ccncn4)no3)CC2)cc1 ZINC000064459847 568929410 /nfs/dbraw/zinc/92/94/10/568929410.db2.gz UKGPWVAQKQRIHA-UHFFFAOYSA-N 1 1 435.532 2.163 50 0 IEAAMO COc1cccc(CNC(=O)Cn2cnc3c(c2=O)C[N@@H+](Cc2ccccc2)CC3)c1OC ZINC000064755501 568951119 /nfs/dbraw/zinc/95/11/19/568951119.db2.gz VXJGZOLFUUNCPQ-UHFFFAOYSA-N 1 1 448.523 2.135 50 0 IEAAMO COc1ccc(C[N@@H+](CCN2CCOCC2)C[C@@H](O)COCc2ccco2)cc1OC ZINC000036095569 568951421 /nfs/dbraw/zinc/95/14/21/568951421.db2.gz ZKKFITLYOQZHNK-HXUWFJFHSA-N 1 1 434.533 2.009 50 0 IEAAMO COC(=O)c1sc2nc(C[N@H+](C[C@@H](O)COCc3ccco3)C(C)C)[nH]c(=O)c2c1C ZINC000036207540 568973116 /nfs/dbraw/zinc/97/31/16/568973116.db2.gz CUTJIWXDJCPAKJ-CQSZACIVSA-N 1 1 449.529 2.461 50 0 IEAAMO COC(=O)c1sc2nc(C[N@@H+](C[C@@H](O)COCc3ccco3)C(C)C)[nH]c(=O)c2c1C ZINC000036207540 568973117 /nfs/dbraw/zinc/97/31/17/568973117.db2.gz CUTJIWXDJCPAKJ-CQSZACIVSA-N 1 1 449.529 2.461 50 0 IEAAMO CCN(CC)c1onc(-c2ccccc2)c1C[N@@H+](CCN1CCOCC1)C[C@@H](O)COC ZINC000036208282 568973440 /nfs/dbraw/zinc/97/34/40/568973440.db2.gz GTZUOXLVZUPOQL-OAQYLSRUSA-N 1 1 446.592 2.329 50 0 IEAAMO CC[NH+]1CCN(C(=O)c2ccc3c(c2)n(Cc2cccc(OC)c2)c(=O)c2ccnn23)CC1 ZINC000169681218 568992824 /nfs/dbraw/zinc/99/28/24/568992824.db2.gz ABEDHFGMKJANLP-UHFFFAOYSA-N 1 1 445.523 2.484 50 0 IEAAMO NC(=O)C1CC[NH+](CC(=O)N2N=C(c3ccccc3)C[C@H]2c2ccc3c(c2)OCO3)CC1 ZINC000036342638 569079483 /nfs/dbraw/zinc/07/94/83/569079483.db2.gz CBWHPWJABCZHGP-FQEVSTJZSA-N 1 1 434.496 2.290 50 0 IEAAMO CC[N@@H+](C)Cc1cccc(CNC(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)c1 ZINC000065593472 569140024 /nfs/dbraw/zinc/14/00/24/569140024.db2.gz XVJHKYDRGHQEGR-UHFFFAOYSA-N 1 1 446.573 2.481 50 0 IEAAMO COCCN(C[C@H]1C[N@H+](C[C@@H](O)Cc2ccccc2)CCO1)C(=O)c1ccccc1F ZINC000169681967 569145596 /nfs/dbraw/zinc/14/55/96/569145596.db2.gz INWLNOGYFSGYIZ-LEWJYISDSA-N 1 1 430.520 2.219 50 0 IEAAMO COCCN(C[C@H]1C[N@@H+](C[C@@H](O)Cc2ccccc2)CCO1)C(=O)c1ccccc1F ZINC000169681967 569145597 /nfs/dbraw/zinc/14/55/97/569145597.db2.gz INWLNOGYFSGYIZ-LEWJYISDSA-N 1 1 430.520 2.219 50 0 IEAAMO CCC(CC)[C@@H](CNC(=O)c1ccc2c(c1)C[C@@H](C)N2S(C)(=O)=O)[NH+]1CCOCC1 ZINC000037330479 569148764 /nfs/dbraw/zinc/14/87/64/569148764.db2.gz URAASHRYDMITRV-IIBYNOLFSA-N 1 1 437.606 2.264 50 0 IEAAMO Cn1cc([C@@H](CNC(=O)C(=O)Nc2cc(C(C)(C)C)nn2-c2ccccc2)[NH+](C)C)cn1 ZINC000089694684 569161423 /nfs/dbraw/zinc/16/14/23/569161423.db2.gz UCJOZGPBQDULST-GOSISDBHSA-N 1 1 437.548 2.261 50 0 IEAAMO CC[C@@H](C)[C@@H]([NH2+]CC(=O)Nc1ccccc1S(=O)(=O)N(C)C1CCCCC1)C(N)=O ZINC000089942168 569168383 /nfs/dbraw/zinc/16/83/83/569168383.db2.gz NKWYXQIFMWHFMV-FOIQADDNSA-N 1 1 438.594 2.068 50 0 IEAAMO O=C(NCCCC[N@@H+]1CCO[C@@H](c2ccccc2)C1)C(=O)Nc1ccc2c(c1)OCO2 ZINC000017178449 569175550 /nfs/dbraw/zinc/17/55/50/569175550.db2.gz ZEVURDGLYPNRAB-OAQYLSRUSA-N 1 1 425.485 2.324 50 0 IEAAMO O=C(NCCCC[N@H+]1CCO[C@@H](c2ccccc2)C1)C(=O)Nc1ccc2c(c1)OCO2 ZINC000017178449 569175551 /nfs/dbraw/zinc/17/55/51/569175551.db2.gz ZEVURDGLYPNRAB-OAQYLSRUSA-N 1 1 425.485 2.324 50 0 IEAAMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)C(=O)Nc1ccc2nc3n(c(=O)c2c1)CCCCC3 ZINC000009407506 569182980 /nfs/dbraw/zinc/18/29/80/569182980.db2.gz ANIVOIHUXCSCBG-QGZVFWFLSA-N 1 1 439.560 2.442 50 0 IEAAMO COc1ccccc1CN1C(=O)N[C@H](CCC(=O)NC[C@@H]2CCC[N@H+]3CCCC[C@H]23)C1=O ZINC000252528006 569189696 /nfs/dbraw/zinc/18/96/96/569189696.db2.gz DXQGTGMFTKCJFO-DFQSSKMNSA-N 1 1 442.560 2.481 50 0 IEAAMO CC[NH+]1CCN(C(=O)Cn2c3ccccc3c(=O)n(-c3ccc(C)c(Cl)c3)c2=O)CC1 ZINC000037399431 569194406 /nfs/dbraw/zinc/19/44/06/569194406.db2.gz FHVMMXBPJIJCPL-UHFFFAOYSA-N 1 1 440.931 2.278 50 0 IEAAMO COc1cc([C@H](CC(N)=O)c2oc(C[NH+]3CCCCC3)cc(=O)c2O)cc2c1OCCO2 ZINC000253409366 569265615 /nfs/dbraw/zinc/26/56/15/569265615.db2.gz LSASWVCDQYUEHO-INIZCTEOSA-N 1 1 444.484 2.118 50 0 biogenic IEAAMO O=S(=O)(c1ccc(F)cc1)[C@H]1CS(=O)(=O)C[C@@H]1[NH2+]CCc1ccc(Cl)cc1 ZINC000013371535 569315019 /nfs/dbraw/zinc/31/50/19/569315019.db2.gz YDRISKXBXWJBKO-ROUUACIJSA-N 1 1 431.938 2.251 50 0 IEAAMO COc1cccc(CC[NH2+][C@H]2CS(=O)(=O)C[C@@H]2S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000013371957 569315073 /nfs/dbraw/zinc/31/50/73/569315073.db2.gz HKHMSEKQCKCQNO-OALUTQOASA-N 1 1 443.974 2.120 50 0 IEAAMO O=S(=O)(c1ccc(F)cc1)[C@H]1CS(=O)(=O)C[C@@H]1[NH2+]CCc1c[nH]c2ccccc12 ZINC000019797077 569329644 /nfs/dbraw/zinc/32/96/44/569329644.db2.gz DYPADWACCKNIEC-PMACEKPBSA-N 1 1 436.530 2.079 50 0 IEAAMO CC[NH+]1CCN([C@@H](c2cccs2)[C@H](C)NC(=O)C(=O)NCc2ccccc2OC)CC1 ZINC000020288022 569359254 /nfs/dbraw/zinc/35/92/54/569359254.db2.gz UDKOHTUMPJPSOX-LAUBAEHRSA-N 1 1 444.601 2.256 50 0 IEAAMO Cc1noc(C)c1CSc1ccccc1C(=O)N(C)C[C@@H](O)C[NH+]1CCN(C)CC1 ZINC000095406740 569364733 /nfs/dbraw/zinc/36/47/33/569364733.db2.gz YEBUPBOICGKWBW-GOSISDBHSA-N 1 1 432.590 2.264 50 0 IEAAMO C[N@@H+](CCCNS(C)(=O)=O)CC(=O)N1CCc2sccc2[C@H]1c1cccs1 ZINC000095434302 569366508 /nfs/dbraw/zinc/36/65/08/569366508.db2.gz HXIXSIWEHQCDLS-SFHVURJKSA-N 1 1 427.617 2.155 50 0 IEAAMO O=S(=O)(c1ccc(OCC[N@@H+]2CC=C(c3cncc(F)c3)CC2)cc1)N1CCOCC1 ZINC000095454762 569368363 /nfs/dbraw/zinc/36/83/63/569368363.db2.gz QOOOIDVIOBLHJC-UHFFFAOYSA-N 1 1 447.532 2.410 50 0 IEAAMO Cc1cc(F)ccc1S(=O)(=O)N1c2ccccc2CC[C@H]1C(=O)N1CC[NH+](C)CC1 ZINC000095953824 569376726 /nfs/dbraw/zinc/37/67/26/569376726.db2.gz MWFMPKIQJYABQY-FQEVSTJZSA-N 1 1 431.533 2.418 50 0 IEAAMO O=C(Cn1nnc(-c2ccc(Cl)cc2)n1)NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC000096011732 569379953 /nfs/dbraw/zinc/37/99/53/569379953.db2.gz YRHRAEKZRQAMAF-HXUWFJFHSA-N 1 1 440.935 2.267 50 0 IEAAMO O=C(CN1CC[NH+](Cc2cccs2)CC1)Nc1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000096311014 569392619 /nfs/dbraw/zinc/39/26/19/569392619.db2.gz BMNJXQTVVABOTB-UHFFFAOYSA-N 1 1 448.614 2.289 50 0 IEAAMO O=C(NCC[NH+]1CCN(c2ccccc2)CC1)N[C@@H]1CC(=O)N(c2cccc(F)c2)C1 ZINC000056925363 569427640 /nfs/dbraw/zinc/42/76/40/569427640.db2.gz KCRXIFHSDNUPKQ-LJQANCHMSA-N 1 1 425.508 2.052 50 0 IEAAMO COc1cc(N2C[C@H](C(=O)NC[C@H]3CCC[N@H+]4CCCC[C@@H]34)CC2=O)cc(OC)c1OC ZINC000230204741 569440107 /nfs/dbraw/zinc/44/01/07/569440107.db2.gz WBIHFVSNQDFSIS-LMMKCTJWSA-N 1 1 445.560 2.446 50 0 biogenic IEAAMO Cc1c(C(=O)NCc2ccccc2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cnn1-c1ccc(=O)[nH]n1 ZINC000057644077 569440554 /nfs/dbraw/zinc/44/05/54/569440554.db2.gz LAGTWCWUHQVLDL-IYBDPMFKSA-N 1 1 436.516 2.216 50 0 IEAAMO Cc1c(C(=O)NCc2ccccc2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cnn1-c1ccc(=O)[nH]n1 ZINC000057644077 569440555 /nfs/dbraw/zinc/44/05/55/569440555.db2.gz LAGTWCWUHQVLDL-IYBDPMFKSA-N 1 1 436.516 2.216 50 0 IEAAMO CCOC(=O)N1CCN(C(=O)[C@H]2CCC[N@H+](Cc3nc(-c4cccs4)no3)C2)CC1 ZINC000031056369 569452986 /nfs/dbraw/zinc/45/29/86/569452986.db2.gz FSTGOKCRNSQUIB-HNNXBMFYSA-N 1 1 433.534 2.311 50 0 IEAAMO CCOC(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+](Cc3nc(-c4cccs4)no3)C2)CC1 ZINC000031056369 569452987 /nfs/dbraw/zinc/45/29/87/569452987.db2.gz FSTGOKCRNSQUIB-HNNXBMFYSA-N 1 1 433.534 2.311 50 0 IEAAMO C[C@@H](CNC(=O)CN1C(=O)N[C@@](C)(c2ccc(F)cc2)C1=O)[N@@H+]1CCc2sccc2C1 ZINC000031961971 569458591 /nfs/dbraw/zinc/45/85/91/569458591.db2.gz IPMUXLVCCSLNEH-FPTDNZKUSA-N 1 1 444.532 2.217 50 0 IEAAMO C[C@@H](CNC(=O)CN1C(=O)N[C@@](C)(c2ccc(F)cc2)C1=O)[N@H+]1CCc2sccc2C1 ZINC000031961971 569458592 /nfs/dbraw/zinc/45/85/92/569458592.db2.gz IPMUXLVCCSLNEH-FPTDNZKUSA-N 1 1 444.532 2.217 50 0 IEAAMO Cc1cc(=O)n2nc(N3CCC[C@@H](C(=O)NCCC[N@@H+]4[C@H](C)CCC[C@@H]4C)C3)sc2n1 ZINC000008933792 569487867 /nfs/dbraw/zinc/48/78/67/569487867.db2.gz HMJOXJDEDAECOD-FGTMMUONSA-N 1 1 446.621 2.445 50 0 IEAAMO C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)C1 ZINC000040112315 569488901 /nfs/dbraw/zinc/48/89/01/569488901.db2.gz IEJYEOIJVZZUKF-KRWDZBQOSA-N 1 1 428.558 2.032 50 0 IEAAMO COC(=O)COc1ccc(S(=O)(=O)N2CCC[N@H+](Cc3ccc(C)cc3)CC2)cc1 ZINC000040119106 569489347 /nfs/dbraw/zinc/48/93/47/569489347.db2.gz BURKXDIUWLFFHK-UHFFFAOYSA-N 1 1 432.542 2.443 50 0 IEAAMO COC(=O)COc1ccc(S(=O)(=O)N2CCC[N@@H+](Cc3ccc(C)cc3)CC2)cc1 ZINC000040119106 569489348 /nfs/dbraw/zinc/48/93/48/569489348.db2.gz BURKXDIUWLFFHK-UHFFFAOYSA-N 1 1 432.542 2.443 50 0 IEAAMO COc1cc(CC(=O)Nc2cccc(C[N@@H+]3CCC[C@H]3C(N)=O)c2)cc(OC)c1OC ZINC000040157929 569494452 /nfs/dbraw/zinc/49/44/52/569494452.db2.gz KFJOGUGMRFBFBI-SFHVURJKSA-N 1 1 427.501 2.343 50 0 IEAAMO COc1cc(CC(=O)Nc2cccc(C[N@H+]3CCC[C@H]3C(N)=O)c2)cc(OC)c1OC ZINC000040157929 569494453 /nfs/dbraw/zinc/49/44/53/569494453.db2.gz KFJOGUGMRFBFBI-SFHVURJKSA-N 1 1 427.501 2.343 50 0 IEAAMO Cc1sc2nc(-c3cccc(NC(=O)C[N@@H+]4CCC[C@H](C(N)=O)C4)c3)[nH]c(=O)c2c1C ZINC000009255423 569516597 /nfs/dbraw/zinc/51/65/97/569516597.db2.gz ASIOXGZVXOYKOI-HNNXBMFYSA-N 1 1 439.541 2.404 50 0 IEAAMO Cc1sc2nc(-c3cccc(NC(=O)C[N@H+]4CCC[C@H](C(N)=O)C4)c3)[nH]c(=O)c2c1C ZINC000009255423 569516598 /nfs/dbraw/zinc/51/65/98/569516598.db2.gz ASIOXGZVXOYKOI-HNNXBMFYSA-N 1 1 439.541 2.404 50 0 IEAAMO C[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)NC[C@@H](c3ccco3)[NH+](C)C)c2)C[C@H](C)O1 ZINC000009282887 569518748 /nfs/dbraw/zinc/51/87/48/569518748.db2.gz BUPCBRFEJCHJPT-FCEWJHQRSA-N 1 1 435.546 2.110 50 0 IEAAMO CCN1CC[NH+](Cc2ccc(NC(=O)CCCC[C@@H]3SC[C@@H]4NC(=O)N[C@@H]43)cc2)CC1 ZINC000071851687 569582447 /nfs/dbraw/zinc/58/24/47/569582447.db2.gz YCKSACSYNHWRQT-ONTIZHBOSA-N 1 1 445.633 2.488 50 0 IEAAMO NC(=[NH2+])NCCC[C@H](NC(=O)[C@H](N)Cc1ccccc1)C(=O)Nc1ccc2ccccc2c1 ZINC000027738220 569587311 /nfs/dbraw/zinc/58/73/11/569587311.db2.gz ZNHUFUZDUQRKBB-YADHBBJMSA-N 1 1 446.555 2.096 50 0 IEAAMO Cc1nnc(Sc2nc(Sc3nnc(C)s3)nc(N3CC[NH+](C)CC3)n2)s1 ZINC000002288283 132251327 /nfs/dbraw/zinc/25/13/27/132251327.db2.gz QXONZSTYGSFSTK-UHFFFAOYSA-N 1 1 439.621 2.246 50 0 IEAAMO C[NH+]1CCN(c2ccc3nnc(CCC(=O)N4CCC(Cc5ccccc5)CC4)n3n2)CC1 ZINC000009431029 132317172 /nfs/dbraw/zinc/31/71/72/132317172.db2.gz JPNAHIPJFQOUQY-UHFFFAOYSA-N 1 1 447.587 2.290 50 0 IEAAMO CCNS(=O)(=O)c1ccc(C)c(C(=O)NC[C@@H](C(CC)CC)[NH+]2CCOCC2)c1 ZINC000022899166 520052076 /nfs/dbraw/zinc/05/20/76/520052076.db2.gz 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CCOCC[NH+]1CCN(CC(=O)Nc2ccc(-c3nnc4n3CCCCC4)cc2)CC1 ZINC000072312087 556596825 /nfs/dbraw/zinc/59/68/25/556596825.db2.gz HTIVYDOCOXIKGZ-UHFFFAOYSA-N 1 1 426.565 2.264 50 0 IEAAMO C[C@H]1CCCC[N@H+]1CCNC(=O)COCc1nnc(C(=O)Nc2ccc(F)cc2)s1 ZINC000032987624 556608001 /nfs/dbraw/zinc/60/80/01/556608001.db2.gz FRTDVHIVOLLOHF-AWEZNQCLSA-N 1 1 435.525 2.437 50 0 IEAAMO O=C(CCCc1nnc(C(=O)Nc2cccc(F)c2)s1)NCCC[NH+]1CCOCC1 ZINC000032995418 556611236 /nfs/dbraw/zinc/61/12/36/556611236.db2.gz MCLSWRLAGUDMCQ-UHFFFAOYSA-N 1 1 435.525 2.091 50 0 IEAAMO COCCN(C[C@@H]1CCC[N@H+]2CCCC[C@H]12)C(=O)CCCn1nnc2ccccc2c1=O ZINC000409414491 556639732 /nfs/dbraw/zinc/63/97/32/556639732.db2.gz SPIIGGBBWHFIGO-SIKLNZKXSA-N 1 1 441.576 2.311 50 0 biogenic IEAAMO CC[N@@H+]1CCC[C@@H]1CN(CCC(=O)N1CCNCC1)C(=O)c1ccc(C(F)(F)F)cc1 ZINC000045966798 556689070 /nfs/dbraw/zinc/68/90/70/556689070.db2.gz AWIFDIMYPSNSHB-LJQANCHMSA-N 1 1 440.510 2.454 50 0 IEAAMO CC[N@H+]1CCC[C@@H]1CN(CCC(=O)N1CCNCC1)C(=O)c1ccc(C(F)(F)F)cc1 ZINC000045966798 556689074 /nfs/dbraw/zinc/68/90/74/556689074.db2.gz AWIFDIMYPSNSHB-LJQANCHMSA-N 1 1 440.510 2.454 50 0 IEAAMO O=C(c1cccc(Cl)c1)N(CCc1ccccc1)CCS(=O)(=O)N1CC[NH2+]CC1 ZINC000046140869 556691691 /nfs/dbraw/zinc/69/16/91/556691691.db2.gz AXXUXULGLNAACZ-UHFFFAOYSA-N 1 1 435.977 2.260 50 0 IEAAMO C[C@H](CN(CCS(=O)(=O)N1CC[NH2+]CC1)C(=O)c1ccc(F)cc1)c1ccccc1 ZINC000046140939 556691710 /nfs/dbraw/zinc/69/17/10/556691710.db2.gz QPCKCYQSWPHRFX-GOSISDBHSA-N 1 1 433.549 2.307 50 0 IEAAMO O=C(c1ccccc1Cl)N(CCc1ccccc1)CCS(=O)(=O)N1CC[NH2+]CC1 ZINC000046140858 556691813 /nfs/dbraw/zinc/69/18/13/556691813.db2.gz PMMLZAULORGPED-UHFFFAOYSA-N 1 1 435.977 2.260 50 0 IEAAMO Cc1cccc(C(=O)N(CCS(=O)(=O)N2CC[NH2+]CC2)C[C@H](C)c2ccccc2)c1 ZINC000046140943 556692194 /nfs/dbraw/zinc/69/21/94/556692194.db2.gz YBUAHQFTVHZCSU-FQEVSTJZSA-N 1 1 429.586 2.476 50 0 IEAAMO CN1CCC([N@H+](C)C[C@H](NC(=O)CNC(=O)Cc2cccc(F)c2)c2ccccc2)CC1 ZINC000058196272 556770490 /nfs/dbraw/zinc/77/04/90/556770490.db2.gz BAHNYQQEUWFJRR-QHCPKHFHSA-N 1 1 440.563 2.368 50 0 IEAAMO CN1CCC([N@@H+](C)C[C@H](NC(=O)CNC(=O)Cc2cccc(F)c2)c2ccccc2)CC1 ZINC000058196272 556770492 /nfs/dbraw/zinc/77/04/92/556770492.db2.gz BAHNYQQEUWFJRR-QHCPKHFHSA-N 1 1 440.563 2.368 50 0 IEAAMO NS(=O)(=O)OC[C@@H]1C[C@@H](n2ccc3c2nc[nH+]c3N[C@H]2CCc3ccccc32)C[C@@H]1O ZINC000058660702 556790948 /nfs/dbraw/zinc/79/09/48/556790948.db2.gz MPUQHZXIXSTTDU-QXGSTGNESA-N 1 1 443.529 2.063 50 0 investigational IEAAMO CC[NH+]1CCN(C(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(OC)c(OC)c2)CC1 ZINC000019646242 556840479 /nfs/dbraw/zinc/84/04/79/556840479.db2.gz AAJKKUVQTZTSTQ-UHFFFAOYSA-N 1 1 447.557 2.063 50 0 IEAAMO C[NH+]1CCN(c2cc(N3CCN(C(=O)c4ccccc4C(F)(F)F)CC3)ncn2)CC1 ZINC000072119425 556898416 /nfs/dbraw/zinc/89/84/16/556898416.db2.gz FTLDUTUXSOVGDK-UHFFFAOYSA-N 1 1 434.466 2.210 50 0 IEAAMO O=c1c2c3n(c(=O)n1-c1ccccc1)CCN3[C@H](c1ccccc1)C[C@@H]2[NH+]1CCOCC1 ZINC000019899081 556941396 /nfs/dbraw/zinc/94/13/96/556941396.db2.gz DOPLUWKEEBHWRZ-SFTDATJTSA-N 1 1 430.508 2.338 50 0 IEAAMO CCOc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@H](C(=O)N2CC[NH+](CC)CC2)C1 ZINC000019938145 556952160 /nfs/dbraw/zinc/95/21/60/556952160.db2.gz HWHWPTXXMMRMKX-INIZCTEOSA-N 1 1 443.997 2.304 50 0 IEAAMO COc1ccc(S(=O)(=O)N(CC(=O)N2CC[NH+](C)CC2)c2cccc(Cl)c2)cc1 ZINC000019999973 556957476 /nfs/dbraw/zinc/95/74/76/556957476.db2.gz ILHDIENJQGPHSP-UHFFFAOYSA-N 1 1 437.949 2.318 50 0 IEAAMO COc1ccc(S(=O)(=O)N(CC(=O)N2CC[NH+](C)CC2)c2ccc(Cl)cc2)cc1 ZINC000019999969 556957505 /nfs/dbraw/zinc/95/75/05/556957505.db2.gz LWAXJASVEDDWNO-UHFFFAOYSA-N 1 1 437.949 2.318 50 0 IEAAMO CC(C)NS(=O)(=O)c1ccc(OCC(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000020038511 556970870 /nfs/dbraw/zinc/97/08/70/556970870.db2.gz IHGNQQRXNZGVLF-UHFFFAOYSA-N 1 1 431.558 2.097 50 0 IEAAMO CCC(CC)[NH+]1CCN(S(=O)(=O)c2cc(-c3n[nH]cc3C(=O)N(C)C)oc2C)CC1 ZINC000097087944 556983123 /nfs/dbraw/zinc/98/31/23/556983123.db2.gz OFWARWPPDHLCHQ-UHFFFAOYSA-N 1 1 437.566 2.175 50 0 IEAAMO CC[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)CN(c1ccccc1)S(=O)(=O)N(C)C ZINC000033269430 557047023 /nfs/dbraw/zinc/04/70/23/557047023.db2.gz BRZWIEKWLNPDCF-FQEVSTJZSA-N 1 1 432.590 2.326 50 0 IEAAMO COc1ccccc1N1C[C@H](C(=O)N2CC[NH+](CCCOCC(F)(F)F)CC2)CC1=O ZINC000048308716 557059576 /nfs/dbraw/zinc/05/95/76/557059576.db2.gz PMZRTHOESVVSSC-MRXNPFEDSA-N 1 1 443.466 2.161 50 0 IEAAMO C[C@H]1CN(C(=O)C[C@@]2(c3cccc(C(F)(F)F)c3)CC(=O)N(C3CC3)C2=O)CC[N@@H+]1C ZINC000023337318 557084754 /nfs/dbraw/zinc/08/47/54/557084754.db2.gz IWYUUHBTPATKED-QKKBWIMNSA-N 1 1 437.462 2.417 50 0 IEAAMO C[C@H]1CN(C(=O)C[C@@]2(c3cccc(C(F)(F)F)c3)CC(=O)N(C3CC3)C2=O)CC[N@H+]1C ZINC000023337318 557084756 /nfs/dbraw/zinc/08/47/56/557084756.db2.gz IWYUUHBTPATKED-QKKBWIMNSA-N 1 1 437.462 2.417 50 0 IEAAMO Cc1ccccc1C[NH+]1CCN(C(=O)[C@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)CC1 ZINC000023805803 557117304 /nfs/dbraw/zinc/11/73/04/557117304.db2.gz RHQNYISINORWSY-FQEVSTJZSA-N 1 1 435.524 2.464 50 0 IEAAMO O=C(c1ccc2c(c1)SC1=NS(=O)(=O)CCN21)N1CC[NH+](Cc2ccccc2)CC1 ZINC000017912022 557128208 /nfs/dbraw/zinc/12/82/08/557128208.db2.gz LLDQVGQOQRUQOU-UHFFFAOYSA-N 1 1 442.566 2.256 50 0 IEAAMO O=C1c2ccccc2C(=O)N1C[C@H](O)C[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000024940578 557260359 /nfs/dbraw/zinc/26/03/59/557260359.db2.gz SWYLKBQJFHANFU-QGZVFWFLSA-N 1 1 433.430 2.485 50 0 IEAAMO COc1ccc([C@H](CNc2c(=O)c(=O)c2N2CCN(c3ccccc3)CC2)[NH+](C)C)cc1 ZINC000101698964 557293991 /nfs/dbraw/zinc/29/39/91/557293991.db2.gz OMKJXSCXIUUEKP-NRFANRHFSA-N 1 1 434.540 2.333 50 0 IEAAMO COc1ccc(OCC[N@H+](C)[C@@H]2CC(=O)N(CCc3ccc(OC)c(OC)c3)C2=O)cc1 ZINC000102819584 557393767 /nfs/dbraw/zinc/39/37/67/557393767.db2.gz JGDSOGJYINIJIW-HXUWFJFHSA-N 1 1 442.512 2.393 50 0 IEAAMO COc1ccc(OCC[N@@H+](C)[C@@H]2CC(=O)N(CCc3ccc(OC)c(OC)c3)C2=O)cc1 ZINC000102819584 557393770 /nfs/dbraw/zinc/39/37/70/557393770.db2.gz JGDSOGJYINIJIW-HXUWFJFHSA-N 1 1 442.512 2.393 50 0 IEAAMO C[C@@H]1C[C@H](C)CN(S(=O)(=O)N2CCC[C@H](C(=O)NCCC[N@H+]3CCCC[C@@H]3C)C2)C1 ZINC000103890086 557442251 /nfs/dbraw/zinc/44/22/51/557442251.db2.gz GBFDVYUKMCIYNN-WOZUAGRISA-N 1 1 442.670 2.302 50 0 IEAAMO CCc1ccc2c(c1)[C@]1([NH2+][C@@H]([C@H](C)O)[C@H]3C(=O)N(C4CCCCCC4)C(=O)[C@H]31)C(=O)N2 ZINC000105348037 557495673 /nfs/dbraw/zinc/49/56/73/557495673.db2.gz ZUBIIHQUYPUKHA-VRZXOPLZSA-N 1 1 425.529 2.073 50 0 IEAAMO COc1ccc([C@@H]2CCCN2C(=O)NC[C@@H]([C@H]2CCOC2)[NH+]2CCOCC2)c(OC)c1 ZINC000107334318 557535385 /nfs/dbraw/zinc/53/53/85/557535385.db2.gz MFJIGVPYYAYZCC-YYWHXJBOSA-N 1 1 433.549 2.288 50 0 IEAAMO CC[NH+]1CCN(c2nc3ncn(C[C@H](O)COc4ccc(C)cc4C)c(=O)c3s2)CC1 ZINC000225660114 557758409 /nfs/dbraw/zinc/75/84/09/557758409.db2.gz NOIRGCMSABVZEV-KRWDZBQOSA-N 1 1 443.573 2.052 50 0 IEAAMO CC[NH+]1CCN(c2nc3ncn(C[C@@H](O)COc4ccc(C)cc4C)c(=O)c3s2)CC1 ZINC000225660139 557758422 /nfs/dbraw/zinc/75/84/22/557758422.db2.gz NOIRGCMSABVZEV-QGZVFWFLSA-N 1 1 443.573 2.052 50 0 IEAAMO C[C@@H]1C[N@H+](C[C@H]2CCCN2C(=O)CCNS(=O)(=O)c2cccc(Cl)c2)C[C@H](C)O1 ZINC000228018082 557829291 /nfs/dbraw/zinc/82/92/91/557829291.db2.gz ISOVGGMQTWAYRT-SOLBZPMBSA-N 1 1 443.997 2.109 50 0 IEAAMO C/C(=C\c1ccco1)C[N@@H+]1CCc2nnc(CNS(=O)(=O)c3ccccc3)n2CC1 ZINC000299768877 568756403 /nfs/dbraw/zinc/75/64/03/568756403.db2.gz NCHLHUQLJWBOQE-SAPNQHFASA-N 1 1 427.530 2.311 50 0 IEAAMO Cc1cccc(NC(=O)[C@@H](C)[NH+]2CCC(C(=O)Nc3ccc(S(N)(=O)=O)cc3)CC2)c1 ZINC000015523362 568796611 /nfs/dbraw/zinc/79/66/11/568796611.db2.gz KFMJFLKASXOJEI-MRXNPFEDSA-N 1 1 444.557 2.320 50 0 IEAAMO O=C(CCCN1C(=O)[C@H](c2ccccc2)Oc2cccnc21)NCCC[NH+]1CCOCC1 ZINC000015677915 568804979 /nfs/dbraw/zinc/80/49/79/568804979.db2.gz YVUAHIGEQFGANC-QFIPXVFZSA-N 1 1 438.528 2.167 50 0 IEAAMO O=C(CCc1nnc2ccc(N3CCCCC3)nn21)NC[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000015678892 568805423 /nfs/dbraw/zinc/80/54/23/568805423.db2.gz DVWLSWSIFJVMKQ-SFHVURJKSA-N 1 1 425.581 2.428 50 0 IEAAMO COC(=O)c1cc(S(=O)(=O)N2CCC(C[N@H+]3CCc4ccccc4C3)CC2)cn1C ZINC000015731745 568814543 /nfs/dbraw/zinc/81/45/43/568814543.db2.gz QKKPVPUSKMVMIJ-UHFFFAOYSA-N 1 1 431.558 2.271 50 0 IEAAMO NS(=O)(=O)c1ccc(C[NH2+][C@@H]2CC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1 ZINC000006077136 568821347 /nfs/dbraw/zinc/82/13/47/568821347.db2.gz HHWVOHAZSVPYBX-OAHLLOKOSA-N 1 1 428.297 2.063 50 0 IEAAMO C[NH+]1CCN(C(=O)Cn2c3ccccc3c3c2-c2nc4ccccc4c(=O)n2CC3)CC1 ZINC000085876697 568838517 /nfs/dbraw/zinc/83/85/17/568838517.db2.gz MQUGPEXLWAOEMD-UHFFFAOYSA-N 1 1 427.508 2.348 50 0 biogenic IEAAMO Cc1ccc2c(c1C)NC(=O)[C@]21[C@@H]2C(=O)N(c3ccc4c(c3)OCO4)C(=O)[C@@H]2[C@@H]2CCC[N@H+]21 ZINC000015956811 568859819 /nfs/dbraw/zinc/85/98/19/568859819.db2.gz HXYBCBNOZXGTGU-KHTISZTLSA-N 1 1 445.475 2.463 50 0 biogenic IEAAMO CCOC(=O)[C@@H]1CCCN(CC2=NC(=O)N[C@H](c3ccccc3OCC)C2C(=O)OC)C1 ZINC000226946194 568885490 /nfs/dbraw/zinc/88/54/90/568885490.db2.gz KUPKEJMAXAJKGG-FOIQADDNSA-N 1 1 445.516 2.141 50 0 IEAAMO COP(=O)(OC)C1(NCC[NH2+]C2(P(=O)(OC)OC)CCOCC2)CCOCC1 ZINC000036359446 568896424 /nfs/dbraw/zinc/89/64/24/568896424.db2.gz UTYPXLZKZPDCKH-UHFFFAOYSA-N 1 1 444.402 2.151 50 0 IEAAMO COCCN(C[C@@H]1CCC[N@H+]2CCCC[C@H]12)C(=O)Cn1nc(-c2ccco2)ccc1=O ZINC000524729895 568904000 /nfs/dbraw/zinc/90/40/00/568904000.db2.gz NJZLFLJBNGMXGX-AZUAARDMSA-N 1 1 428.533 2.243 50 0 biogenic IEAAMO COc1ccc([C@@H]2CCC[N@H+]2CCC(=O)N2CCN(c3ncccn3)CC2)c(OC)c1 ZINC000026908152 568924175 /nfs/dbraw/zinc/92/41/75/568924175.db2.gz BHWMWBNINPGURK-FQEVSTJZSA-N 1 1 425.533 2.370 50 0 IEAAMO CCN(CC)c1onc(-c2ccccc2)c1C[N@@H+](CCOC)C[C@@H](O)CN1CCOCC1 ZINC000036208292 568973366 /nfs/dbraw/zinc/97/33/66/568973366.db2.gz VHVLEXJAVIALEA-NRFANRHFSA-N 1 1 446.592 2.329 50 0 IEAAMO CC1(C)[C@H]2CC[C@]1(C)C(=O)N(C[C@H](O)C[NH+]1CCN(C/C=C/c3ccccc3)CC1)C2=O ZINC000019371958 568989444 /nfs/dbraw/zinc/98/94/44/568989444.db2.gz RZAHDJBZBCSBTD-VQOAHNSOSA-N 1 1 439.600 2.490 50 0 IEAAMO CC1(C)[C@H]2CC[C@]1(C)C(=O)N(C[C@H](O)CN1CC[NH+](C/C=C/c3ccccc3)CC1)C2=O ZINC000019371958 568989446 /nfs/dbraw/zinc/98/94/46/568989446.db2.gz RZAHDJBZBCSBTD-VQOAHNSOSA-N 1 1 439.600 2.490 50 0 IEAAMO CC[NH+]1CCN(C(=O)CCc2nnc3c4cc(-c5ccc(OC)cc5)nn4ccn23)CC1 ZINC000064947048 568994983 /nfs/dbraw/zinc/99/49/83/568994983.db2.gz JRXLTGYUSWHYPP-UHFFFAOYSA-N 1 1 433.516 2.149 50 0 IEAAMO Cn1c2cc(Cl)c(S(=O)(=O)N3CC[NH+](C4CCCCC4)CC3)cc2n(C)c1=O ZINC000064976622 569077094 /nfs/dbraw/zinc/07/70/94/569077094.db2.gz QYVAKTMXGBGLOF-UHFFFAOYSA-N 1 1 426.970 2.169 50 0 IEAAMO CCCCn1c(N)c(N(C(=O)C[N@@H+]2CCc3ccccc3C2)C2CCCC2)c(=O)[nH]c1=O ZINC000036384436 569092734 /nfs/dbraw/zinc/09/27/34/569092734.db2.gz TVVCDOCRZIQKBW-UHFFFAOYSA-N 1 1 439.560 2.253 50 0 IEAAMO CCCCn1c(N)c(N(C(=O)C[N@H+]2CCc3ccccc3C2)C2CCCC2)c(=O)[nH]c1=O ZINC000036384436 569092735 /nfs/dbraw/zinc/09/27/35/569092735.db2.gz TVVCDOCRZIQKBW-UHFFFAOYSA-N 1 1 439.560 2.253 50 0 IEAAMO Cc1ccc(S(=O)(=O)CCc2noc(C(=O)NCCC[N@@H+]3CCC[C@H](C)C3)n2)cc1 ZINC000065117371 569107642 /nfs/dbraw/zinc/10/76/42/569107642.db2.gz WBFDUGMPPQPGEJ-KRWDZBQOSA-N 1 1 434.562 2.246 50 0 IEAAMO C[C@H](NC(=O)C1CCN(c2cncnc2N2CC[NH+](C)CC2)CC1)c1ccc(F)cc1 ZINC000065226918 569118043 /nfs/dbraw/zinc/11/80/43/569118043.db2.gz WOCRVMMCBORSFM-KRWDZBQOSA-N 1 1 426.540 2.461 50 0 IEAAMO COc1ccc([C@@H](C)NC(=O)C2CCN(c3cncnc3N3CC[NH+](C)CC3)CC2)cc1 ZINC000065226912 569118051 /nfs/dbraw/zinc/11/80/51/569118051.db2.gz MJYYMTUZQCFMFN-GOSISDBHSA-N 1 1 438.576 2.331 50 0 IEAAMO COCCn1ccc2c1cccc2C(=O)NCC[N@H+]1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2 ZINC000524732255 569126761 /nfs/dbraw/zinc/12/67/61/569126761.db2.gz XAVJFJWVHMCNJM-MOPGFXCFSA-N 1 1 434.540 2.299 50 0 biogenic IEAAMO COc1cc2cc(C(=O)NCC[N@H+]3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)[nH]c2cc1OC ZINC000524732191 569126852 /nfs/dbraw/zinc/12/68/52/569126852.db2.gz FJDWTFLDAFJUAK-WBVHZDCISA-N 1 1 436.512 2.196 50 0 biogenic IEAAMO CCN1CCN(c2cc(C)nc3nc(CN4CC[NH+](C5CCCCC5)CC4)nn32)CC1 ZINC000065311644 569133481 /nfs/dbraw/zinc/13/34/81/569133481.db2.gz TYEHWKVXQXIHSN-UHFFFAOYSA-N 1 1 426.613 2.025 50 0 IEAAMO Cc1oc2ncn(C)c(=O)c2c1C(=O)NCCC[N@H+]1CCN(c2cccc(C)c2)[C@@H](C)C1 ZINC000065329543 569136961 /nfs/dbraw/zinc/13/69/61/569136961.db2.gz FFOLPYPGNNZHOZ-KRWDZBQOSA-N 1 1 437.544 2.474 50 0 IEAAMO Cc1cc(=O)n2nc(N3CCC(C(=O)NCC[N@H+](C)C4CCCCC4)CC3)sc2n1 ZINC000008933765 569167100 /nfs/dbraw/zinc/16/71/00/569167100.db2.gz FGPGGWDIOUVZFF-UHFFFAOYSA-N 1 1 432.594 2.057 50 0 IEAAMO O=C(NC[C@H]1CCCO1)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000017056943 569172070 /nfs/dbraw/zinc/17/20/70/569172070.db2.gz MOTHUJKQNSAOTL-FGCOXFRFSA-N 1 1 446.551 2.205 50 0 IEAAMO CC(=O)N1CCC(C(=O)N2CCC3(CC2)C[C@H](N2CC[NH+](CC(C)C)CC2)CCO3)CC1 ZINC000581819794 569211645 /nfs/dbraw/zinc/21/16/45/569211645.db2.gz LLJIGXDWOKAAMF-HSZRJFAPSA-N 1 1 448.652 2.059 50 0 IEAAMO COc1cc(OC)c([C@H](CC(N)=O)c2oc(C[NH+]3CCCCC3)cc(=O)c2O)cc1OC ZINC000253398004 569264697 /nfs/dbraw/zinc/26/46/97/569264697.db2.gz BUYCVKYSSLOBEI-INIZCTEOSA-N 1 1 446.500 2.364 50 0 biogenic IEAAMO COc1cc2ncn(CC(=O)N(C)C[C@@H]3CCC[N@H+]4CCCC[C@H]34)c(=O)c2cc1OC ZINC000253399514 569264875 /nfs/dbraw/zinc/26/48/75/569264875.db2.gz CZVAYSFOJQBQOW-QFBILLFUSA-N 1 1 428.533 2.137 50 0 biogenic IEAAMO COc1cc([C@@H](CC(N)=O)c2oc(C[NH+]3CCCCC3)cc(=O)c2O)cc(OC)c1OC ZINC000253409556 569265593 /nfs/dbraw/zinc/26/55/93/569265593.db2.gz MAFMZMVXSDEJBH-MRXNPFEDSA-N 1 1 446.500 2.364 50 0 biogenic IEAAMO O=S(=O)(c1ccc(Cl)cc1)[C@H]1CS(=O)(=O)C[C@@H]1[NH2+]CCc1ccccc1F ZINC000013371952 569315069 /nfs/dbraw/zinc/31/50/69/569315069.db2.gz QTAGXJYQZJMEDN-ROUUACIJSA-N 1 1 431.938 2.251 50 0 IEAAMO CC[NH+]1CCN([C@H](c2cccs2)[C@H](C)NC(=O)C(=O)NCc2ccc(OC)cc2)CC1 ZINC000020287949 569359268 /nfs/dbraw/zinc/35/92/68/569359268.db2.gz XQZOPPAVPCKYKH-UWJYYQICSA-N 1 1 444.601 2.256 50 0 IEAAMO CCn1c(C(=O)N2CCC(C(=O)NCCC[NH+]3CCOCC3)CC2)cc2sccc21 ZINC000020382994 569362726 /nfs/dbraw/zinc/36/27/26/569362726.db2.gz UFCXUFZLZKRRFT-UHFFFAOYSA-N 1 1 432.590 2.413 50 0 IEAAMO O[C@@H](COc1cccc(C[NH+]2CCN(Cc3cccc(F)c3)CC2)c1)CN1CCOCC1 ZINC000020406346 569363821 /nfs/dbraw/zinc/36/38/21/569363821.db2.gz CVDONCXDFGWSON-XMMPIXPASA-N 1 1 443.563 2.215 50 0 IEAAMO Cc1ccc(C)n1-c1nnc(N2CCC[C@@H](C(=O)NCCC[NH+]3CCOCC3)C2)s1 ZINC000020414960 569364330 /nfs/dbraw/zinc/36/43/30/569364330.db2.gz HMHXSZJBDFXTNH-GOSISDBHSA-N 1 1 432.594 2.001 50 0 IEAAMO Cc1noc(C)c1CSc1ccccc1C(=O)N(C)C[C@H](O)C[NH+]1CCN(C)CC1 ZINC000095406739 569364766 /nfs/dbraw/zinc/36/47/66/569364766.db2.gz YEBUPBOICGKWBW-SFHVURJKSA-N 1 1 432.590 2.264 50 0 IEAAMO COC(=O)[C@]1(NCC(=O)NCc2cccc(OC)c2)CCC[N@H+](Cc2ccccc2)C1 ZINC000095454695 569368388 /nfs/dbraw/zinc/36/83/88/569368388.db2.gz SEVQSTZIIXVLQF-DEOSSOPVSA-N 1 1 425.529 2.109 50 0 IEAAMO COC(=O)[C@]1(NCC(=O)NCc2cccc(OC)c2)CCC[N@@H+](Cc2ccccc2)C1 ZINC000095454695 569368389 /nfs/dbraw/zinc/36/83/89/569368389.db2.gz SEVQSTZIIXVLQF-DEOSSOPVSA-N 1 1 425.529 2.109 50 0 IEAAMO CCNC(=S)N1C[C@H](C(=O)N2CC[NH+](C)CC2)[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000096211339 569386596 /nfs/dbraw/zinc/38/65/96/569386596.db2.gz XDNKREJGPIRARU-SJORKVTESA-N 1 1 428.524 2.389 50 0 IEAAMO CC(C)c1ccc(NC(=O)[C@H]2[C@H]3C(=O)N(CCC[NH+]4CCOCC4)C[C@@]34C=C[C@@H]2O4)cc1 ZINC000096286740 569390181 /nfs/dbraw/zinc/39/01/81/569390181.db2.gz JCUAKYNOPWFLHK-MTQWNXOMSA-N 1 1 439.556 2.253 50 0 biogenic IEAAMO COc1ccc2[nH]cc(/C=C(\NC(=O)c3ccccc3)C(=O)N3CC[NH+](CCO)CC3)c2c1 ZINC000215700925 569412563 /nfs/dbraw/zinc/41/25/63/569412563.db2.gz KEHZLFQIEVWLJM-HAHDFKILSA-N 1 1 448.523 2.084 50 0 IEAAMO Cc1nc(S(=O)(=O)NCCC(=O)NCc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)cn1C ZINC000057265527 569430298 /nfs/dbraw/zinc/43/02/98/569430298.db2.gz DGNDQAQGHQJPSR-QGZVFWFLSA-N 1 1 447.605 2.088 50 0 IEAAMO CNC(=O)c1cc(S(=O)(=O)NCC[N@H+]2CC[C@@H](c3ccccc3C)C2)ccc1OC ZINC000670435048 569444099 /nfs/dbraw/zinc/44/40/99/569444099.db2.gz LNMGINSDCCICBA-QGZVFWFLSA-N 1 1 431.558 2.131 50 0 IEAAMO CCN(C(=O)Cn1cnc2nc(N3CC[NH+](CC)CC3)sc2c1=O)c1cccc(C)c1 ZINC000067225874 569465203 /nfs/dbraw/zinc/46/52/03/569465203.db2.gz STRRAEREYSYYGZ-UHFFFAOYSA-N 1 1 440.573 2.356 50 0 IEAAMO CCOC(=O)[C@H]1CCC[N@H+](CC2=NC(=O)N[C@H](c3ccc(OCC)cc3)C2C(=O)OC)C1 ZINC000067287162 569467162 /nfs/dbraw/zinc/46/71/62/569467162.db2.gz UTOKUDLUBBLBBZ-OXJNMPFZSA-N 1 1 445.516 2.141 50 0 IEAAMO CCOC(=O)[C@H]1CCC[N@@H+](CC2=NC(=O)N[C@H](c3ccc(OCC)cc3)C2C(=O)OC)C1 ZINC000067287162 569467163 /nfs/dbraw/zinc/46/71/63/569467163.db2.gz UTOKUDLUBBLBBZ-OXJNMPFZSA-N 1 1 445.516 2.141 50 0 IEAAMO Cc1nn(C)c(C)c1NC(=O)[C@@H](C)[NH+]1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1 ZINC000008726312 569472309 /nfs/dbraw/zinc/47/23/09/569472309.db2.gz QMSFAKRBVUSPAO-OAHLLOKOSA-N 1 1 427.505 2.443 50 0 IEAAMO Cc1ccc(S(=O)(=O)N2CCN(C(=O)C[N@@H+]3CCC[C@@H]3c3cccn3C)CC2)cc1 ZINC000008922834 569486976 /nfs/dbraw/zinc/48/69/76/569486976.db2.gz DEQHPUWMVLKJDK-OAQYLSRUSA-N 1 1 430.574 2.004 50 0 IEAAMO CCN1CC[NH+](Cc2ccccc2CNC(=O)[C@@H]2CCCN(C(=O)N3CCCC3)C2)CC1 ZINC000040107978 569488475 /nfs/dbraw/zinc/48/84/75/569488475.db2.gz BEDBXWBLQUKIRL-HSZRJFAPSA-N 1 1 441.620 2.368 50 0 IEAAMO O=C(C[NH+]1CCC(C(=O)N2CCCCCC2)CC1)NC(=O)Nc1ccc2c(c1)OCCO2 ZINC000009414163 569531916 /nfs/dbraw/zinc/53/19/16/569531916.db2.gz CWQGSQSXZRGQSR-UHFFFAOYSA-N 1 1 444.532 2.221 50 0 IEAAMO C[NH+](C)[C@@H](CNS(=O)(=O)c1ccc(N2CCCCS2(=O)=O)cc1)c1ccccc1 ZINC000077200647 569586488 /nfs/dbraw/zinc/58/64/88/569586488.db2.gz JLMIIDAYXYPNTD-FQEVSTJZSA-N 1 1 437.587 2.198 50 0 IEAAMO C[NH+](C)[C@H](CNS(=O)(=O)c1ccc(N2CCCCS2(=O)=O)cc1)c1ccccc1 ZINC000077200648 569586508 /nfs/dbraw/zinc/58/65/08/569586508.db2.gz JLMIIDAYXYPNTD-HXUWFJFHSA-N 1 1 437.587 2.198 50 0 IEAAMO C[NH+](C)[C@@H](CNS(=O)(=O)c1ccc(N2CCCCS2(=O)=O)cc1)c1cccs1 ZINC000077200653 569586516 /nfs/dbraw/zinc/58/65/16/569586516.db2.gz BZVDPUJCJCJUER-KRWDZBQOSA-N 1 1 443.616 2.259 50 0 IEAAMO O=C(C[C@H]1Oc2ccccc2NC1=O)NCCC[NH+]1CCN(c2ccccc2F)CC1 ZINC000006803865 132279087 /nfs/dbraw/zinc/27/90/87/132279087.db2.gz NWRPKDOQORZWQY-OAQYLSRUSA-N 1 1 426.492 2.244 50 0 IEAAMO CC(C)C[C@H](CNC(=O)CCNC(=O)c1ccc(Br)cc1)[NH+]1CCOCC1 ZINC000022611711 519349351 /nfs/dbraw/zinc/34/93/51/519349351.db2.gz IYDTUCNEBNWWTR-GOSISDBHSA-N 1 1 440.382 2.432 50 0 IEAAMO CC(=O)Oc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2CCC[N@H+]2[C@@]32c3ccccc3NC2=O)cc1 ZINC000016009926 519759457 /nfs/dbraw/zinc/75/94/57/519759457.db2.gz RDYYNNNAKVQNDY-VKDGWMQASA-N 1 1 431.448 2.043 50 0 IEAAMO CCNS(=O)(=O)c1ccc(C)c(C(=O)NC[C@H](C(CC)CC)[NH+]2CCOCC2)c1 ZINC000022899170 520051056 /nfs/dbraw/zinc/05/10/56/520051056.db2.gz OMLHECVDQJLTRM-HXUWFJFHSA-N 1 1 425.595 2.160 50 0 IEAAMO CCN(CC)C(=O)[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)NCc3ccsc3)c(=O)[nH]2)C1 ZINC000012190927 520526796 /nfs/dbraw/zinc/52/67/96/520526796.db2.gz RVXGYWUFVNRZCX-QGZVFWFLSA-N 1 1 430.574 2.447 50 0 IEAAMO CCOc1ccc(NC(=O)Cn2cnc3nc(N4CC[NH+](CC)CC4)sc3c2=O)cc1 ZINC000021886404 521076569 /nfs/dbraw/zinc/07/65/69/521076569.db2.gz LFVVKWSYMMTPOM-UHFFFAOYSA-N 1 1 442.545 2.032 50 0 IEAAMO CCOc1ccccc1C[N@@H+]1CCc2nnc([C@H](C)NC(=O)C3CCOCC3)n2CC1 ZINC000020919816 521487653 /nfs/dbraw/zinc/48/76/53/521487653.db2.gz HBQMEVHDVGKKRW-KRWDZBQOSA-N 1 1 427.549 2.339 50 0 IEAAMO CC[N@H+]1CCC[C@H]1CNC(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1 ZINC000012605705 521657071 /nfs/dbraw/zinc/65/70/71/521657071.db2.gz ISYRBFPDMRNMOC-SFHVURJKSA-N 1 1 445.541 2.473 50 0 IEAAMO CC[NH+]1CCN(C2CCN(C(=O)[C@H]3CCC(=O)N(Cc4ccccc4F)C3)CC2)CC1 ZINC000020773873 521672372 /nfs/dbraw/zinc/67/23/72/521672372.db2.gz VRJHMCKRKXHPKD-FQEVSTJZSA-N 1 1 430.568 2.193 50 0 IEAAMO CC[NH+]1CCN(c2nc3ncn(CC(=O)Nc4c(C)cccc4C)c(=O)c3s2)CC1 ZINC000021886450 521700859 /nfs/dbraw/zinc/70/08/59/521700859.db2.gz BJLJNTCVDSWFQT-UHFFFAOYSA-N 1 1 426.546 2.250 50 0 IEAAMO CCN1C[C@H](C[N@@H+](C)Cc2cccc(S(=O)(=O)N3CCOCC3)c2)Oc2ccccc21 ZINC000021319380 521729874 /nfs/dbraw/zinc/72/98/74/521729874.db2.gz MDCJDWVEDACJGI-FQEVSTJZSA-N 1 1 445.585 2.427 50 0 IEAAMO COc1cc(C)c(C[N@@H+]2CCc3nnc(CCNC(=O)c4cccnc4)n3CC2)cc1C ZINC000020454004 522194538 /nfs/dbraw/zinc/19/45/38/522194538.db2.gz WZZIUNOPXPCQMZ-UHFFFAOYSA-N 1 1 434.544 2.329 50 0 IEAAMO COc1cc(C)c(Cl)cc1S(=O)(=O)N1CCN(c2cc(N(C)C)nc(C)[nH+]2)CC1 ZINC000021794641 522196635 /nfs/dbraw/zinc/19/66/35/522196635.db2.gz GZMKFOVHLNNAMD-UHFFFAOYSA-N 1 1 439.969 2.332 50 0 IEAAMO COC(=O)C1C(C[NH2+]CCc2ccccc2)=NC(=O)N[C@@H]1c1ccc(OC)c(OC)c1 ZINC000020529215 522891608 /nfs/dbraw/zinc/89/16/08/522891608.db2.gz LGAZFMAKKIGTNT-OAQYLSRUSA-N 1 1 425.485 2.317 50 0 IEAAMO COC(=O)C1CC[NH+](C[C@@H](O)COc2ccc(CN(C)Cc3cccnc3)cc2)CC1 ZINC000012198938 522916575 /nfs/dbraw/zinc/91/65/75/522916575.db2.gz GZZRCTUYOCYUHJ-JOCHJYFZSA-N 1 1 427.545 2.338 50 0 IEAAMO COC(=O)CCCNC(=O)C[C@H]1C(=O)NCC[N@@H+]1CC(c1ccccc1)c1ccccc1 ZINC000012713844 523019496 /nfs/dbraw/zinc/01/94/96/523019496.db2.gz ZYWSDUDMLXKJLD-QFIPXVFZSA-N 1 1 437.540 2.078 50 0 IEAAMO CCn1cc(C(=O)N2CCC[C@H]([NH+]3CCN(Cc4ccc5c(c4)OCO5)CC3)C2)cn1 ZINC000020905707 523328927 /nfs/dbraw/zinc/32/89/27/523328927.db2.gz FMZMUSFESHTDBP-FQEVSTJZSA-N 1 1 425.533 2.054 50 0 IEAAMO CC[C@@H]1CN(C(=O)N2CCC(C(=O)NCCC[NH+]3CCOCC3)CC2)c2ccccc2O1 ZINC000020902381 523392826 /nfs/dbraw/zinc/39/28/26/523392826.db2.gz IKLVVWJLTUCLMI-HXUWFJFHSA-N 1 1 444.576 2.335 50 0 IEAAMO CCn1ccc2cc(S(=O)(=O)N3CCC[C@H](C(=O)N4CC[NH+](CC)CC4)C3)ccc21 ZINC000021937870 523496952 /nfs/dbraw/zinc/49/69/52/523496952.db2.gz AACZXLXXSYOBOX-IBGZPJMESA-N 1 1 432.590 2.226 50 0 IEAAMO C[NH+]1CCC(N2CCC(Oc3cccc(C(=O)NCCN4CCCCC4=O)c3)CC2)CC1 ZINC000020454709 523766543 /nfs/dbraw/zinc/76/65/43/523766543.db2.gz FGAWUONWNMFVAI-UHFFFAOYSA-N 1 1 442.604 2.366 50 0 IEAAMO C[NH+]1CCN(c2cc(OCCNC(=O)Nc3ccc(OC(F)(F)F)cc3)ncn2)CC1 ZINC000035598389 523924139 /nfs/dbraw/zinc/92/41/39/523924139.db2.gz LPDMWIGKPOLZBT-UHFFFAOYSA-N 1 1 440.426 2.328 50 0 IEAAMO COCCNS(=O)(=O)c1ccc(C(=O)NC[C@@H](c2ccccc2Cl)[NH+](C)C)cc1 ZINC000012911648 523959793 /nfs/dbraw/zinc/95/97/93/523959793.db2.gz RYMNQHUZABLPHW-IBGZPJMESA-N 1 1 439.965 2.297 50 0 IEAAMO COCCOC1CCN(C(=O)C[C@H]2C(=O)NCC[N@H+]2Cc2cccc3ccccc32)CC1 ZINC000012597522 523973079 /nfs/dbraw/zinc/97/30/79/523973079.db2.gz BYIRRYKXPJAJFV-QHCPKHFHSA-N 1 1 439.556 2.184 50 0 IEAAMO COCCOC1CCN(C(=O)C[C@H]2C(=O)NCC[N@@H+]2Cc2cccc3ccccc32)CC1 ZINC000012597522 523973084 /nfs/dbraw/zinc/97/30/84/523973084.db2.gz BYIRRYKXPJAJFV-QHCPKHFHSA-N 1 1 439.556 2.184 50 0 IEAAMO CO[C@@H]1CN(Cc2ccccc2)C(=O)C[N@H+](Cc2c(C)n(C)n(-c3ccccc3)c2=O)C1 ZINC000020998928 524007646 /nfs/dbraw/zinc/00/76/46/524007646.db2.gz MUVMMRDDBGZTCE-QFIPXVFZSA-N 1 1 434.540 2.344 50 0 IEAAMO CO[C@@H]1CN(Cc2ccccc2)C(=O)C[N@@H+](Cc2c(C)n(C)n(-c3ccccc3)c2=O)C1 ZINC000020998928 524007648 /nfs/dbraw/zinc/00/76/48/524007648.db2.gz MUVMMRDDBGZTCE-QFIPXVFZSA-N 1 1 434.540 2.344 50 0 IEAAMO COc1ccc(CN2CCc3nnc([C@@H](C)NC(=O)C4CC[NH+](C)CC4)n3CC2)cc1C ZINC000012204418 524039605 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2.406 50 0 IEAAMO Cc1[nH+]ccn1-c1cc(CNC(=O)[C@H]2CCCN(S(=O)(=O)c3cccs3)C2)ccn1 ZINC000048309607 557059976 /nfs/dbraw/zinc/05/99/76/557059976.db2.gz VZKKCZBITXGQQU-KRWDZBQOSA-N 1 1 445.570 2.354 50 0 IEAAMO COc1cc(Cl)c(C[N@H+]2CCc3nnc(CCNC(=O)C4CCC4)n3CC2)cc1OC ZINC000023128952 557065910 /nfs/dbraw/zinc/06/59/10/557065910.db2.gz LJGIZQWYBGSPMT-UHFFFAOYSA-N 1 1 447.967 2.466 50 0 IEAAMO COc1cc(Cl)c(C[N@@H+]2CCc3nnc(CCNC(=O)C4CCC4)n3CC2)cc1OC ZINC000023128952 557065912 /nfs/dbraw/zinc/06/59/12/557065912.db2.gz LJGIZQWYBGSPMT-UHFFFAOYSA-N 1 1 447.967 2.466 50 0 IEAAMO Cc1[nH+]ccn1-c1cc(CNC(=O)c2ccc3c(c2)CCCN3S(C)(=O)=O)ccn1 ZINC000048312943 557067291 /nfs/dbraw/zinc/06/72/91/557067291.db2.gz MOUREAJQRFFFMH-UHFFFAOYSA-N 1 1 425.514 2.218 50 0 IEAAMO C[N@H+](CC(=O)N1CCN(Cc2ccccc2F)CC1)Cc1ccccc1N1CCOCC1 ZINC000023763294 557114872 /nfs/dbraw/zinc/11/48/72/557114872.db2.gz QHNDAMHCLROBJA-UHFFFAOYSA-N 1 1 440.563 2.439 50 0 IEAAMO C[N@@H+](CC(=O)N1CCN(Cc2ccccc2F)CC1)Cc1ccccc1N1CCOCC1 ZINC000023763294 557114875 /nfs/dbraw/zinc/11/48/75/557114875.db2.gz QHNDAMHCLROBJA-UHFFFAOYSA-N 1 1 440.563 2.439 50 0 IEAAMO CCOC(=O)C1CCN(c2c(=O)c(=O)c2NCCC[N@@H+](CC)Cc2ccccc2)CC1 ZINC000101433699 557285342 /nfs/dbraw/zinc/28/53/42/557285342.db2.gz MKBBTRLQSQCLBB-UHFFFAOYSA-N 1 1 427.545 2.386 50 0 IEAAMO COc1ccc(CNc2nn3c(nc(C[NH+]4CCN(c5ccccc5)CC4)cc3=O)[nH]2)cc1 ZINC000101796323 557298617 /nfs/dbraw/zinc/29/86/17/557298617.db2.gz ZCGBRRIXACLPJY-UHFFFAOYSA-N 1 1 445.527 2.361 50 0 IEAAMO C[C@@H](NC(=O)C[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCCO2)c1ccc(S(N)(=O)=O)cc1 ZINC000014161520 557312145 /nfs/dbraw/zinc/31/21/45/557312145.db2.gz FJGDFPLYYCISQK-DNVCBOLYSA-N 1 1 445.541 2.120 50 0 IEAAMO C[C@@H](NC(=O)C[N@H+]1CCC[C@@H]1c1ccc2c(c1)OCCO2)c1ccc(S(N)(=O)=O)cc1 ZINC000014161520 557312148 /nfs/dbraw/zinc/31/21/48/557312148.db2.gz FJGDFPLYYCISQK-DNVCBOLYSA-N 1 1 445.541 2.120 50 0 IEAAMO C[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)NCCC[N@H+]3CCCC[C@@H]3C)c2)C[C@H](C)O1 ZINC000014248075 557329823 /nfs/dbraw/zinc/32/98/23/557329823.db2.gz GDKMONJKOQNNQL-GBESFXJTSA-N 1 1 437.606 2.479 50 0 IEAAMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)CCNC(=O)Cn1ccc2ccccc2c1=O ZINC000004876163 557400328 /nfs/dbraw/zinc/40/03/28/557400328.db2.gz HXLMALUAAHMWRO-HXUWFJFHSA-N 1 1 426.561 2.279 50 0 IEAAMO Cc1cc2c(c(C)c1)NC(=O)[C@@]21[NH2+][C@@H]([C@H](C)O)[C@H]2C(=O)N(C3CCCCCC3)C(=O)[C@H]21 ZINC000105347939 557495858 /nfs/dbraw/zinc/49/58/58/557495858.db2.gz UAOHXMBTDCHQGE-GHAKLACHSA-N 1 1 425.529 2.127 50 0 IEAAMO C[C@H]1Cc2cc(C(=O)N3CCC[C@H]3C[NH+]3C[C@@H](C)O[C@H](C)C3)ccc2N1S(C)(=O)=O ZINC000106756129 557532128 /nfs/dbraw/zinc/53/21/28/557532128.db2.gz QTJBCIXQFLMWNQ-XLSPSMHOSA-N 1 1 435.590 2.111 50 0 IEAAMO OCC[NH+]1CCN(c2nc3c(cnn3-c3ccc(F)cc3)c(NCc3ccco3)n2)CC1 ZINC000040288591 557711624 /nfs/dbraw/zinc/71/16/24/557711624.db2.gz XMCPJZPLCVMNMD-UHFFFAOYSA-N 1 1 437.479 2.274 50 0 IEAAMO Cn1cc(CN2CCC[N@@H+](CCNC(=O)NC(C)(C)COCc3ccccc3)CC2)cn1 ZINC000225637603 557755160 /nfs/dbraw/zinc/75/51/60/557755160.db2.gz HACQHCWYWKHICH-UHFFFAOYSA-N 1 1 442.608 2.222 50 0 IEAAMO Cn1cc(C[N@@H+]2CCCN(CCNC(=O)NC(C)(C)COCc3ccccc3)CC2)cn1 ZINC000225637603 557755162 /nfs/dbraw/zinc/75/51/62/557755162.db2.gz HACQHCWYWKHICH-UHFFFAOYSA-N 1 1 442.608 2.222 50 0 IEAAMO Cn1cc(C[N@H+]2CCCN(CCNC(=O)NC(C)(C)COCc3ccccc3)CC2)cn1 ZINC000225637603 557755165 /nfs/dbraw/zinc/75/51/65/557755165.db2.gz HACQHCWYWKHICH-UHFFFAOYSA-N 1 1 442.608 2.222 50 0 IEAAMO CSCC[C@H](NS(=O)(=O)c1ccccc1F)C(=O)NC[C@@H](c1ccco1)[NH+](C)C ZINC000003344777 562934531 /nfs/dbraw/zinc/93/45/31/562934531.db2.gz WGYYMJYMPHFQOW-HOTGVXAUSA-N 1 1 443.566 2.238 50 0 IEAAMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)[C@@H]1CCCN(c2nn3c(nc(C)cc3=O)s2)C1 ZINC000015943633 563020073 /nfs/dbraw/zinc/02/00/73/563020073.db2.gz PJAUSWBDJMXFKM-QZTJIDSGSA-N 1 1 446.621 2.447 50 0 IEAAMO CN(Cc1cnccn1)C(=O)C[C@@H]1C(=O)NCC[N@@H+]1CC(c1ccccc1)c1ccccc1 ZINC000055041992 563142219 /nfs/dbraw/zinc/14/22/19/563142219.db2.gz RYWXZSLPCCPDCA-XMMPIXPASA-N 1 1 443.551 2.458 50 0 IEAAMO NS(=O)(=O)OC[C@@H]1C[C@H](n2ccc3c2nc[nH+]c3N[C@H]2CCc3ccccc32)C[C@@H]1O ZINC000095616587 563194231 /nfs/dbraw/zinc/19/42/31/563194231.db2.gz MPUQHZXIXSTTDU-LNMJFAINSA-N 1 1 443.529 2.063 50 0 IEAAMO O=C(N[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccc2c(c1)S(=O)(=O)N(C1CC1)C2=O ZINC000078597137 568762117 /nfs/dbraw/zinc/76/21/17/568762117.db2.gz TVZQAYRNEAWXIC-SFHVURJKSA-N 1 1 439.537 2.388 50 0 IEAAMO Cn1c(CN2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc(=O)c(O)c1C[NH+]1CCCCCC1 ZINC000085875664 568838204 /nfs/dbraw/zinc/83/82/04/568838204.db2.gz HSOIAQSJLYVVJJ-MOPGFXCFSA-N 1 1 438.572 2.248 50 0 biogenic IEAAMO C[C@H](C(=O)NCCC[NH+]1CCOCC1)C1CCN(C(=O)c2cc3ccccc3[nH]2)CC1 ZINC000015868575 568851980 /nfs/dbraw/zinc/85/19/80/568851980.db2.gz DLFZZCICQRUSDU-SFHVURJKSA-N 1 1 426.561 2.495 50 0 IEAAMO CCc1cccc2c1NC(=O)[C@]21[C@@H]2C(=O)N(c3ccc4c(c3)OCO4)C(=O)[C@@H]2[C@@H]2CCC[N@H+]21 ZINC000015957920 568860337 /nfs/dbraw/zinc/86/03/37/568860337.db2.gz KRSYHPAEUURVAM-KHTISZTLSA-N 1 1 445.475 2.409 50 0 biogenic IEAAMO CCOC(=O)c1ccc(NC(=O)[C@@H]2C[C@H]([C@@H](C)O)[NH2+][C@@]23C(=O)Nc2ccc(F)cc23)cc1 ZINC000015973226 568861391 /nfs/dbraw/zinc/86/13/91/568861391.db2.gz CBPOOYULSIEABU-JLVUSKIZSA-N 1 1 441.459 2.147 50 0 IEAAMO COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(C(=O)C[N@H+]1CCC[C@@H](C(N)=O)C1)CC2 ZINC000229572084 568886847 /nfs/dbraw/zinc/88/68/47/568886847.db2.gz GTITWPWGRJSADP-NTKDMRAZSA-N 1 1 437.540 2.375 50 0 IEAAMO CC(C)[C@H](CNC(=O)c1ccc(S(=O)(=O)N2CCC[C@@H](C)C2)cc1)[NH+]1CCOCC1 ZINC000012971544 568888314 /nfs/dbraw/zinc/88/83/14/568888314.db2.gz HTCGVNZMJUGVGO-NQIIRXRSSA-N 1 1 437.606 2.194 50 0 IEAAMO COc1ccc(CCN2C[C@H](C(=O)NC[C@H]3CCC[N@H+]4CCCC[C@H]34)CC2=O)cc1OC ZINC000225410822 568901897 /nfs/dbraw/zinc/90/18/97/568901897.db2.gz BILVACWSJNEWCP-NJDAHSKKSA-N 1 1 443.588 2.476 50 0 biogenic IEAAMO Cc1cc2c(c(Cl)c1)NC(=O)[C@@]21[NH2+][C@@H]([C@H](C)O)[C@H]2C(=O)N(C3CCCCCC3)C(=O)[C@H]21 ZINC000245324836 568914687 /nfs/dbraw/zinc/91/46/87/568914687.db2.gz AGIHIDZNRIRCTO-SPDRLTDRSA-N 1 1 445.947 2.472 50 0 IEAAMO O=C(C[N@H+]1CC=C(c2ccccc2)CC1)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000006587692 568933979 /nfs/dbraw/zinc/93/39/79/568933979.db2.gz RMSMMMPURJASRT-UHFFFAOYSA-N 1 1 425.554 2.309 50 0 IEAAMO O=C(C[N@@H+]1CC=C(c2ccccc2)CC1)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000006587692 568933982 /nfs/dbraw/zinc/93/39/82/568933982.db2.gz RMSMMMPURJASRT-UHFFFAOYSA-N 1 1 425.554 2.309 50 0 IEAAMO CCOC(=O)C1C(C[N@H+]2CCC[C@@H](C(=O)OCC)C2)=NC(=O)N[C@H]1c1ccc(C)cc1 ZINC000036163074 568967771 /nfs/dbraw/zinc/96/77/71/568967771.db2.gz HTIRTVKGVHRZQS-XLIONFOSSA-N 1 1 429.517 2.441 50 0 IEAAMO CCOC(=O)C1C(C[N@@H+]2CCC[C@@H](C(=O)OCC)C2)=NC(=O)N[C@H]1c1ccc(C)cc1 ZINC000036163074 568967773 /nfs/dbraw/zinc/96/77/73/568967773.db2.gz HTIRTVKGVHRZQS-XLIONFOSSA-N 1 1 429.517 2.441 50 0 IEAAMO CC(=O)N1CCN(C(=O)[C@H](C2CCCC2)[NH+]2CCN(C(=O)c3ccc(C)cc3)CC2)CC1 ZINC000036250366 568983835 /nfs/dbraw/zinc/98/38/35/568983835.db2.gz FFROUONTVIPJRX-QHCPKHFHSA-N 1 1 440.588 2.002 50 0 IEAAMO C[C@H]1CCCC[N@H+]1CCNC(=O)C(=O)Nc1ccc2nc3n(c(=O)c2c1)CCCCC3 ZINC000006808363 568997032 /nfs/dbraw/zinc/99/70/32/568997032.db2.gz XBMUSEQNPVPDQN-INIZCTEOSA-N 1 1 425.533 2.052 50 0 IEAAMO C[C@H]1CCC[N@@H+](CCCNC(=O)c2nc(CCS(=O)(=O)c3ccc(F)cc3)no2)C1 ZINC000065117577 569107638 /nfs/dbraw/zinc/10/76/38/569107638.db2.gz LJESQMCTJBMQGC-HNNXBMFYSA-N 1 1 438.525 2.077 50 0 IEAAMO C[C@H](C(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)[N@@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000036476259 569113433 /nfs/dbraw/zinc/11/34/33/569113433.db2.gz HEFXRTINFPMTAU-CVEARBPZSA-N 1 1 433.496 2.182 50 0 IEAAMO C[C@H](C(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)[N@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000036476259 569113435 /nfs/dbraw/zinc/11/34/35/569113435.db2.gz HEFXRTINFPMTAU-CVEARBPZSA-N 1 1 433.496 2.182 50 0 IEAAMO O=C(N[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCCN1S(=O)(=O)c1ccc(F)cc1 ZINC000036664285 569130385 /nfs/dbraw/zinc/13/03/85/569130385.db2.gz ZCWYYZLZGHINIJ-FPOVZHCZSA-N 1 1 431.533 2.370 50 0 IEAAMO NS(=O)(=O)OC[C@@H]1C[C@H](n2ccc3c2nc[nH+]c3N[C@@H]2CCc3ccccc32)C[C@@H]1O ZINC000195500401 569140288 /nfs/dbraw/zinc/14/02/88/569140288.db2.gz MPUQHZXIXSTTDU-SAKMYQHLSA-N 1 1 443.529 2.063 50 0 IEAAMO CC(C)[C@@H](NC(=O)CN1CCN(c2[nH+]ccn2C)CC1)c1ccc2c(c1)OCCCO2 ZINC000089801731 569164953 /nfs/dbraw/zinc/16/49/53/569164953.db2.gz MEXULSRPIBCDQX-JOCHJYFZSA-N 1 1 427.549 2.217 50 0 IEAAMO CC[N@@H+]1CCc2c(sc(NC(=O)c3cccc(N4C(=O)CCC4=O)c3)c2C(N)=O)C1 ZINC000011667771 569188417 /nfs/dbraw/zinc/18/84/17/569188417.db2.gz CPISGHYNQFDSFI-UHFFFAOYSA-N 1 1 426.498 2.131 50 0 IEAAMO CC[N@H+]1CCc2c(sc(NC(=O)c3cccc(N4C(=O)CCC4=O)c3)c2C(N)=O)C1 ZINC000011667771 569188419 /nfs/dbraw/zinc/18/84/19/569188419.db2.gz CPISGHYNQFDSFI-UHFFFAOYSA-N 1 1 426.498 2.131 50 0 IEAAMO COc1ccc2c(c1OC)C(=O)O[C@H]2[C@H]1c2c(c(CO)c3c(c2OC)OCO3)CC[N@H+]1C ZINC000019862302 569256942 /nfs/dbraw/zinc/25/69/42/569256942.db2.gz ZIKAXWHPAVNSPO-QZTJIDSGSA-N 1 1 443.452 2.374 50 0 IEAAMO COc1ccc2c(c1OC)C(=O)O[C@H]2[C@H]1c2c(c(CO)c3c(c2OC)OCO3)CC[N@@H+]1C ZINC000019862302 569256943 /nfs/dbraw/zinc/25/69/43/569256943.db2.gz ZIKAXWHPAVNSPO-QZTJIDSGSA-N 1 1 443.452 2.374 50 0 IEAAMO COc1cc([C@@H](CC(N)=O)c2oc(C[NH+]3CCCCC3)cc(=O)c2O)cc2c1OCCO2 ZINC000253409369 569265550 /nfs/dbraw/zinc/26/55/50/569265550.db2.gz LSASWVCDQYUEHO-MRXNPFEDSA-N 1 1 444.484 2.118 50 0 biogenic IEAAMO COc1cc([C@H](CC(N)=O)c2oc(C[NH+]3CCCCC3)cc(=O)c2O)cc(OC)c1O ZINC000253409441 569265597 /nfs/dbraw/zinc/26/55/97/569265597.db2.gz LVQAYZYVCLQNJL-HNNXBMFYSA-N 1 1 432.473 2.061 50 0 biogenic IEAAMO Cc1ccc(S(=O)(=O)[C@H]2CS(=O)(=O)C[C@@H]2[NH2+]CCc2c[nH]c3ccccc23)cc1 ZINC000019797018 569329563 /nfs/dbraw/zinc/32/95/63/569329563.db2.gz XGJHIUYQKVQASN-SFTDATJTSA-N 1 1 432.567 2.248 50 0 IEAAMO CC[NH+]1CCN([C@@H](c2cccs2)[C@@H](C)NC(=O)C(=O)NCc2ccc(F)cc2)CC1 ZINC000020287929 569359335 /nfs/dbraw/zinc/35/93/35/569359335.db2.gz VKEBUWGYFCUQRH-OXQOHEQNSA-N 1 1 432.565 2.387 50 0 IEAAMO COc1ncccc1CNC(=O)C(=O)Nc1c(C)cnn1[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000095444219 569367050 /nfs/dbraw/zinc/36/70/50/569367050.db2.gz DFZFPBAGCDHAON-FQEVSTJZSA-N 1 1 448.527 2.297 50 0 IEAAMO COC(=O)[C@@]1(NCC(=O)NCc2cccc(OC)c2)CCC[N@H+](Cc2ccccc2)C1 ZINC000095454694 569368414 /nfs/dbraw/zinc/36/84/14/569368414.db2.gz SEVQSTZIIXVLQF-XMMPIXPASA-N 1 1 425.529 2.109 50 0 IEAAMO COC(=O)[C@@]1(NCC(=O)NCc2cccc(OC)c2)CCC[N@@H+](Cc2ccccc2)C1 ZINC000095454694 569368415 /nfs/dbraw/zinc/36/84/15/569368415.db2.gz SEVQSTZIIXVLQF-XMMPIXPASA-N 1 1 425.529 2.109 50 0 IEAAMO COC(=O)CC[N@@H+]1CCN(CC(=O)Nc2cc(C3CC3)nn2-c2ccccc2)[C@H](C)C1 ZINC000095986100 569378028 /nfs/dbraw/zinc/37/80/28/569378028.db2.gz KBBQTXIUVXGYLI-QGZVFWFLSA-N 1 1 425.533 2.257 50 0 IEAAMO COC(=O)CC[N@H+]1CCN(CC(=O)Nc2cc(C3CC3)nn2-c2ccccc2)[C@H](C)C1 ZINC000095986100 569378030 /nfs/dbraw/zinc/37/80/30/569378030.db2.gz KBBQTXIUVXGYLI-QGZVFWFLSA-N 1 1 425.533 2.257 50 0 IEAAMO COc1ccc(NC(=O)[C@H]2C[C@H](CC(N)=O)[NH2+][C@@]23c2cc(C)cc(Cl)c2NC3=O)cc1 ZINC000057110703 569429559 /nfs/dbraw/zinc/42/95/59/569429559.db2.gz WAGOJYONQOQJFQ-XNVILDLWSA-N 1 1 442.903 2.297 50 0 IEAAMO CCOC(=O)CCN(C[C@H]1CCC[N@H+]1CC)C(=O)COc1ccc2c(c1)CCC(=O)N2 ZINC000057991840 569444332 /nfs/dbraw/zinc/44/43/32/569444332.db2.gz MVMSTJBWGGJXPH-GOSISDBHSA-N 1 1 431.533 2.216 50 0 IEAAMO O=C(Cn1ncc2ccsc2c1=O)NCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000058060768 569446386 /nfs/dbraw/zinc/44/63/86/569446386.db2.gz RUWHAWJVMACUAB-UHFFFAOYSA-N 1 1 431.949 2.050 50 0 IEAAMO CCOC(=O)c1c2cc(OC(C)=O)c(Br)cc2n(C)c1C[N@H+](C)CCO ZINC000008663749 569469983 /nfs/dbraw/zinc/46/99/83/569469983.db2.gz WJMQKTZWGZDBTH-UHFFFAOYSA-N 1 1 427.295 2.467 50 0 IEAAMO CCOC(=O)c1c2cc(OC(C)=O)c(Br)cc2n(C)c1C[N@@H+](C)CCO ZINC000008663749 569469984 /nfs/dbraw/zinc/46/99/84/569469984.db2.gz WJMQKTZWGZDBTH-UHFFFAOYSA-N 1 1 427.295 2.467 50 0 IEAAMO C[C@@H](c1cccc(C(F)(F)F)c1)[N@H+](CC(=O)N1CCN(S(C)(=O)=O)CC1)C1CC1 ZINC000040155726 569493943 /nfs/dbraw/zinc/49/39/43/569493943.db2.gz XSXGJTCBMZSBAF-AWEZNQCLSA-N 1 1 433.496 2.335 50 0 IEAAMO C[C@@H](c1cccc(C(F)(F)F)c1)[N@@H+](CC(=O)N1CCN(S(C)(=O)=O)CC1)C1CC1 ZINC000040155726 569493944 /nfs/dbraw/zinc/49/39/44/569493944.db2.gz XSXGJTCBMZSBAF-AWEZNQCLSA-N 1 1 433.496 2.335 50 0 IEAAMO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)C2CCN(c3nnc(N4CCCC4=O)s3)CC2)C1 ZINC000009287552 569519335 /nfs/dbraw/zinc/51/93/35/569519335.db2.gz AOUUZSQQSJRUCV-CALCHBBNSA-N 1 1 448.637 2.366 50 0 IEAAMO C[N@@H+](CCNC(=O)C(=O)Nc1ccc2nc3n(c(=O)c2c1)CCCCC3)C1CCCCC1 ZINC000009407498 569530246 /nfs/dbraw/zinc/53/02/46/569530246.db2.gz XDOATPSXIOLWBR-UHFFFAOYSA-N 1 1 439.560 2.442 50 0 IEAAMO CCOCCN1[NH+]=C(C)[C@H](C)n2c1nc1c2c(=O)n(C/C=C/c2ccccc2)c(=O)n1C ZINC000010047699 569577520 /nfs/dbraw/zinc/57/75/20/569577520.db2.gz AOQNCFHJAISHNK-KQPPXVQYSA-N 1 1 436.516 2.404 50 0 IEAAMO CCOCCN1[NH+]=C(C)Cn2c1nc1c2c(=O)n(Cc2cccc3ccccc32)c(=O)n1C ZINC000010047777 569577546 /nfs/dbraw/zinc/57/75/46/569577546.db2.gz NQPCUKGZJBHRFE-UHFFFAOYSA-N 1 1 446.511 2.331 50 0 IEAAMO COC(=O)c1ccc(NC(=O)C[NH+]2CCC(c3nn(C)c(=O)n3-c3ccccc3)CC2)cc1 ZINC000077100647 569585394 /nfs/dbraw/zinc/58/53/94/569585394.db2.gz AGRPQNUBPIJNAR-UHFFFAOYSA-N 1 1 449.511 2.176 50 0 IEAAMO O=C(CCN1C(=O)COc2ccccc21)NCCC[NH+]1CCN(c2ccccc2F)CC1 ZINC000004057300 132269037 /nfs/dbraw/zinc/26/90/37/132269037.db2.gz LHQMSMCMKATOSQ-UHFFFAOYSA-N 1 1 440.519 2.270 50 0 IEAAMO O=C(NCCC[NH+]1CCOCC1)C1CCN(c2nccnc2Oc2ccccc2)CC1 ZINC000013359531 132346448 /nfs/dbraw/zinc/34/64/48/132346448.db2.gz RODXDFXLCLCYPK-UHFFFAOYSA-N 1 1 425.533 2.324 50 0 IEAAMO CC(C)[C@@H](CNC(=O)CCNC(=O)c1ccc(Br)cc1)[NH+]1CCOCC1 ZINC000022510715 519794432 /nfs/dbraw/zinc/79/44/32/519794432.db2.gz HDRZYNJJYDPKDI-QGZVFWFLSA-N 1 1 426.355 2.042 50 0 IEAAMO CCOc1cc(C[N@@H+]2CCc3nnc([C@@H](C)NC(=O)c4cccnc4)n3CC2)ccc1O ZINC000020994831 520698657 /nfs/dbraw/zinc/69/86/57/520698657.db2.gz VOGWMYRIUVWACZ-MRXNPFEDSA-N 1 1 436.516 2.327 50 0 IEAAMO CCN(CC)S(=O)(=O)c1cccc(NC(=O)CN2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000022917834 520819308 /nfs/dbraw/zinc/81/93/08/520819308.db2.gz FXXQHLOUTKSYGB-UHFFFAOYSA-N 1 1 444.601 2.473 50 0 IEAAMO CCOc1ccc(C(=O)N(CCC(=O)N2CCNCC2)CC[N@@H+]2CCCC[C@H]2C)cc1 ZINC000035422031 520891228 /nfs/dbraw/zinc/89/12/28/520891228.db2.gz ZBQBVLAFFQYDTB-HXUWFJFHSA-N 1 1 430.593 2.224 50 0 IEAAMO CCOc1ccc(C(=O)N(CCC(=O)N2CCNCC2)CC[N@H+]2CCCC[C@H]2C)cc1 ZINC000035422031 520891236 /nfs/dbraw/zinc/89/12/36/520891236.db2.gz ZBQBVLAFFQYDTB-HXUWFJFHSA-N 1 1 430.593 2.224 50 0 IEAAMO CC1CCC2(CC1)OC[C@H](C(=O)NCCC[NH+]1CCOCC1)N2C(=O)c1ccc(F)cc1 ZINC000034920327 520967943 /nfs/dbraw/zinc/96/79/43/520967943.db2.gz FQOUEXZYHCBXLV-RUPGZQMFSA-N 1 1 447.551 2.412 50 0 IEAAMO CCOc1ccc(C[N@@H+]2CCc3nnc(CNC(=O)c4ccc(COC)o4)n3CC2)cc1 ZINC000020601109 520980005 /nfs/dbraw/zinc/98/00/05/520980005.db2.gz VETJVIGVGWDHOS-UHFFFAOYSA-N 1 1 439.516 2.405 50 0 IEAAMO CCC(CC)[C@H](CNC(=O)c1ccc2c(c1)C[C@H](C)N2S(C)(=O)=O)[NH+]1CCOCC1 ZINC000012910308 521617960 /nfs/dbraw/zinc/61/79/60/521617960.db2.gz URAASHRYDMITRV-KKSFZXQISA-N 1 1 437.606 2.264 50 0 IEAAMO CC[NH+]1CCN(C(=O)[C@H](C)OC(=O)c2ccc3c(c2)C(=O)N(CCC(C)C)C3=O)CC1 ZINC000022358770 521668294 /nfs/dbraw/zinc/66/82/94/521668294.db2.gz HZRDBYRDDQACIC-INIZCTEOSA-N 1 1 429.517 2.038 50 0 IEAAMO CCN1C[C@@H](C[N@@H+](C)Cc2cccc(S(=O)(=O)N3CCOCC3)c2)Oc2ccccc21 ZINC000021319373 521727575 /nfs/dbraw/zinc/72/75/75/521727575.db2.gz MDCJDWVEDACJGI-HXUWFJFHSA-N 1 1 445.585 2.427 50 0 IEAAMO C[NH+](C)[C@@H](CNS(=O)(=O)c1ccc(N2CCCC2=O)cc1)c1ccc2c(c1)OCO2 ZINC000012196738 522031500 /nfs/dbraw/zinc/03/15/00/522031500.db2.gz COLCRFXROCGPHO-SFHVURJKSA-N 1 1 431.514 2.123 50 0 IEAAMO COCCn1nc(C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)ccc1=O ZINC000021004395 522143164 /nfs/dbraw/zinc/14/31/64/522143164.db2.gz ZVXLRRAKDYITDG-UHFFFAOYSA-N 1 1 432.524 2.437 50 0 IEAAMO COC(=O)c1cn([C@H]2C[C@@H](C(=O)NCCc3ccc(F)cc3)[N@H+](CC=C(C)C)C2)nn1 ZINC000012279538 522331800 /nfs/dbraw/zinc/33/18/00/522331800.db2.gz DGXURBHVWZVOPP-ICSRJNTNSA-N 1 1 429.496 2.144 50 0 IEAAMO COC(=O)c1cn([C@H]2C[C@@H](C(=O)NCCc3ccc(F)cc3)[N@@H+](CC=C(C)C)C2)nn1 ZINC000012279538 522331810 /nfs/dbraw/zinc/33/18/10/522331810.db2.gz DGXURBHVWZVOPP-ICSRJNTNSA-N 1 1 429.496 2.144 50 0 IEAAMO COCC(=O)N[C@@H](c1nnc2n1CC[N@H+](Cc1ccc(OC)c(C)c1C)CC2)C(C)C ZINC000020453173 522770822 /nfs/dbraw/zinc/77/08/22/522770822.db2.gz UKFSNBHZBJZKON-JOCHJYFZSA-N 1 1 429.565 2.422 50 0 IEAAMO C[N@@H+](CCn1cc(C(=O)N2CCSCC2)nn1)C1CCN(Cc2ccccc2)CC1 ZINC000012570724 522998799 /nfs/dbraw/zinc/99/87/99/522998799.db2.gz NRLDXPUWLXYMBB-UHFFFAOYSA-N 1 1 428.606 2.064 50 0 IEAAMO CN(CCn1cc(C(=O)N2CCSCC2)nn1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000012570724 522998811 /nfs/dbraw/zinc/99/88/11/522998811.db2.gz NRLDXPUWLXYMBB-UHFFFAOYSA-N 1 1 428.606 2.064 50 0 IEAAMO CNC(=O)C1CC[NH+](CC(=O)N(C)CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC000012334594 524049208 /nfs/dbraw/zinc/04/92/08/524049208.db2.gz HYDWKRRSOKDLJP-UHFFFAOYSA-N 1 1 448.873 2.214 50 0 IEAAMO CNC(=O)NC(=O)[C@@H]([NH2+]Cc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccccc1 ZINC000012867302 524078023 /nfs/dbraw/zinc/07/80/23/524078023.db2.gz MSZRVPLRZPXMSY-FQEVSTJZSA-N 1 1 444.557 2.148 50 0 IEAAMO COc1ccc(F)c(C[N@H+]2CCc3nnc(CNC(=O)CCc4cccnc4)n3CC2)c1 ZINC000020453299 524272723 /nfs/dbraw/zinc/27/27/23/524272723.db2.gz STGFTFTYMUABJU-UHFFFAOYSA-N 1 1 438.507 2.128 50 0 IEAAMO COc1ccc(F)c(C[N@@H+]2CCc3nnc(CNC(=O)CCc4cccnc4)n3CC2)c1 ZINC000020453299 524272730 /nfs/dbraw/zinc/27/27/30/524272730.db2.gz STGFTFTYMUABJU-UHFFFAOYSA-N 1 1 438.507 2.128 50 0 IEAAMO COc1ccccc1/C=C/C[N@@H+]1CCc2nnc([C@H](C)NC(=O)C3CCOCC3)n2CC1 ZINC000012164134 524320318 /nfs/dbraw/zinc/32/03/18/524320318.db2.gz GPBTZDUJXKWEQO-FZMUQLTDSA-N 1 1 439.560 2.462 50 0 IEAAMO C[C@H]1C[NH+](C(C)(C)CNC(=O)CCCN(C)S(=O)(=O)c2cccs2)C[C@H](C)O1 ZINC000036047137 524552847 /nfs/dbraw/zinc/55/28/47/524552847.db2.gz RBNAGCLKMWTDGH-HOTGVXAUSA-N 1 1 431.624 2.153 50 0 IEAAMO COc1ccc(OC)c([C@@H]2CN(C(=O)C3CCCC3)C[C@@H]2C(=O)N2CC[NH+](C)CC2)c1 ZINC000036059596 524895458 /nfs/dbraw/zinc/89/54/58/524895458.db2.gz NHISXLLYDQFZHI-SFTDATJTSA-N 1 1 429.561 2.210 50 0 IEAAMO Cc1ccc([C@@H](C)CC[N@@H+]2CCc3nnc(CCNC(=O)C4CCOCC4)n3CC2)o1 ZINC000012450742 525681374 /nfs/dbraw/zinc/68/13/74/525681374.db2.gz XUKCNYUQDUBTPA-KRWDZBQOSA-N 1 1 429.565 2.317 50 0 IEAAMO O=C([C@@H]1CCCN(S(=O)(=O)c2cccs2)C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000024606962 526468976 /nfs/dbraw/zinc/46/89/76/526468976.db2.gz ATQAEBGLGNUZGC-LJQANCHMSA-N 1 1 433.599 2.493 50 0 IEAAMO c1csc([C@H]2NC3=NCN(CCC[NH+]4CCOCC4)CN3c3nc4ccccc4n32)c1 ZINC000020649198 526589646 /nfs/dbraw/zinc/58/96/46/526589646.db2.gz GOJASSPUJZFDBA-FQEVSTJZSA-N 1 1 437.573 2.363 50 0 IEAAMO Cc1nc(N2CCN(C(=O)c3ccccc3Br)CC2)cc(N2CCOCC2)[nH+]1 ZINC000021793848 526970603 /nfs/dbraw/zinc/97/06/03/526970603.db2.gz WKASUECGAWEZBW-UHFFFAOYSA-N 1 1 446.349 2.347 50 0 IEAAMO O=C(COc1coc(CN2CC[NH+](Cc3ccccc3)CC2)cc1=O)NCc1ccco1 ZINC000022807566 527002978 /nfs/dbraw/zinc/00/29/78/527002978.db2.gz OHYMYCHERGAUCJ-UHFFFAOYSA-N 1 1 437.496 2.246 50 0 IEAAMO O=C(C[C@H]1C(=O)NCC[N@H+]1Cc1cccc2ccccc21)N1CCN(c2ccccn2)CC1 ZINC000012756383 527153126 /nfs/dbraw/zinc/15/31/26/527153126.db2.gz WVCVSTXVBFBMMB-QHCPKHFHSA-N 1 1 443.551 2.274 50 0 IEAAMO O=C(C[C@H]1C(=O)NCC[N@@H+]1Cc1cccc2ccccc21)N1CCN(c2ccccn2)CC1 ZINC000012756383 527153134 /nfs/dbraw/zinc/15/31/34/527153134.db2.gz WVCVSTXVBFBMMB-QHCPKHFHSA-N 1 1 443.551 2.274 50 0 IEAAMO Cn1cc(CCNC(=O)C[C@@H]2C(=O)NCC[N@@H+]2CC(c2ccccc2)c2ccccc2)cn1 ZINC000012713059 527191270 /nfs/dbraw/zinc/19/12/70/527191270.db2.gz WKKKCGVFRLKNQO-XMMPIXPASA-N 1 1 445.567 2.101 50 0 IEAAMO O=S(=O)(NCc1nnc2n1CC[N@H+](CCCc1ccccc1)CC2)c1ccccc1 ZINC000012213361 527234779 /nfs/dbraw/zinc/23/47/79/527234779.db2.gz SLSOKEIUQXXAIS-UHFFFAOYSA-N 1 1 425.558 2.248 50 0 IEAAMO 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CC[N@@H+](CC(=O)Nc1ccc(C)c(S(=O)(=O)N2CCOCC2)c1)Cc1ccccc1 ZINC000013010753 562984136 /nfs/dbraw/zinc/98/41/36/562984136.db2.gz LNMGUDZQWSHXKC-UHFFFAOYSA-N 1 1 431.558 2.477 50 0 IEAAMO COCC[NH+]1CCN(C(=O)[C@H]2CCC(=O)N(Cc3cccc(C(F)(F)F)c3)C2)CC1 ZINC000019340363 563022590 /nfs/dbraw/zinc/02/25/90/563022590.db2.gz OLIVFHBIPOZGKQ-KRWDZBQOSA-N 1 1 427.467 2.235 50 0 IEAAMO C[C@@H]1CN(c2ccccc2NC(=O)NC[C@H]([C@H]2CCOC2)[NH+]2CCOCC2)C[C@@H](C)O1 ZINC000106103877 568624769 /nfs/dbraw/zinc/62/47/69/568624769.db2.gz LUFGJCYDKIZVBV-NXWNEQKCSA-N 1 1 432.565 2.159 50 0 IEAAMO CC(C)[C@H](CNC(=O)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)C(C)C)[NH+]1CCOCC1 ZINC000025327394 568653507 /nfs/dbraw/zinc/65/35/07/568653507.db2.gz VSOUMLGYNSKOCO-OALUTQOASA-N 1 1 446.013 2.116 50 0 IEAAMO CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)C[C@]1(c2ccccc2)CC(=O)N(Cc2cccnc2)C1=O ZINC000299765166 568756182 /nfs/dbraw/zinc/75/61/82/568756182.db2.gz JOAPVJPIVWCVQG-HFZDXXHNSA-N 1 1 448.567 2.469 50 0 IEAAMO 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COc1ccc2c(c1OC)C(=O)O[C@@H]2[C@@H]1c2c(c(CO)c3c(c2OC)OCO3)CC[N@@H+]1C ZINC000019862306 569256938 /nfs/dbraw/zinc/25/69/38/569256938.db2.gz ZIKAXWHPAVNSPO-ROUUACIJSA-N 1 1 443.452 2.374 50 0 IEAAMO COc1ccc2cnn(CC(=O)N(C)C[C@@H]3CCC[N@H+]4CCCC[C@H]34)c(=O)c2c1OC ZINC000253411554 569265689 /nfs/dbraw/zinc/26/56/89/569265689.db2.gz OUFIRDXUCZVEND-ZWKOTPCHSA-N 1 1 428.533 2.137 50 0 biogenic IEAAMO O=S(=O)(c1ccc(CNC2CC[NH+](Cc3ccccc3)CC2)cc1)N1CCOCC1 ZINC000013165415 569312476 /nfs/dbraw/zinc/31/24/76/569312476.db2.gz OSGUCYLIJHLZQA-UHFFFAOYSA-N 1 1 429.586 2.462 50 0 IEAAMO COc1ccccc1CC[NH2+][C@H]1CS(=O)(=O)C[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000013371954 569315116 /nfs/dbraw/zinc/31/51/16/569315116.db2.gz VGMAJFALTGRMQL-HKUYNNGSSA-N 1 1 443.974 2.120 50 0 IEAAMO CCCCN(C(=O)C[N@@H+]1CCS[C@@H]2CCCC[C@@H]21)c1c(N)n(CCC)c(=O)[nH]c1=O ZINC000079053492 569323547 /nfs/dbraw/zinc/32/35/47/569323547.db2.gz NAUUWMMTLYWBMG-JKSUJKDBSA-N 1 1 437.610 2.022 50 0 IEAAMO CCCCN(C(=O)C[N@H+]1CCS[C@@H]2CCCC[C@@H]21)c1c(N)n(CCC)c(=O)[nH]c1=O ZINC000079053492 569323548 /nfs/dbraw/zinc/32/35/48/569323548.db2.gz NAUUWMMTLYWBMG-JKSUJKDBSA-N 1 1 437.610 2.022 50 0 IEAAMO COc1cc2c(cc1OC)[C@H](C(=O)N1CC[NH+](C)CC1)[C@H](c1cccs1)N(C)C2=O ZINC000020114143 569334912 /nfs/dbraw/zinc/33/49/12/569334912.db2.gz LZODQNVTJSEOJY-PMACEKPBSA-N 1 1 429.542 2.450 50 0 IEAAMO CN1CC[NH+](CCCNC(=O)[C@@H]2c3ccccc3C(=O)N(C)[C@H]2c2cccs2)CC1 ZINC000020116014 569335162 /nfs/dbraw/zinc/33/51/62/569335162.db2.gz DPSSIGCZXFYBNO-RTWAWAEBSA-N 1 1 426.586 2.412 50 0 IEAAMO COc1cc2c(cc1OC)[C@@H]1[C@H](C(=O)N3CC[NH+](C)CC3)c3ccccc3C(=O)N1CC2 ZINC000020153368 569353576 /nfs/dbraw/zinc/35/35/76/569353576.db2.gz AZWZJYXEZJCDAJ-DHIUTWEWSA-N 1 1 435.524 2.315 50 0 IEAAMO CCN1CC[NH+](Cc2ccccc2CNC(=O)c2cnc3sc(C)cn3c2=O)CC1 ZINC000095458718 569369160 /nfs/dbraw/zinc/36/91/60/569369160.db2.gz UQQRDEHEPXFIDD-UHFFFAOYSA-N 1 1 425.558 2.132 50 0 IEAAMO NS(=O)(=O)c1cccc(CNC(=O)[C@H]2CC[N@@H+](C[C@H]3CCCc4ccccc43)C2)c1 ZINC000096012306 569379998 /nfs/dbraw/zinc/37/99/98/569379998.db2.gz WFWCGTFDFRIJGM-UXHICEINSA-N 1 1 427.570 2.392 50 0 IEAAMO CCNC(=S)N1C[C@H](C(=O)N2CC[NH+](C)CC2)[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000096211340 569386647 /nfs/dbraw/zinc/38/66/47/569386647.db2.gz XDNKREJGPIRARU-IRXDYDNUSA-N 1 1 428.524 2.389 50 0 IEAAMO CC[NH+]1CCN(C(=S)N=P(N2CCOCC2)(N2CCOCC2)C(C)(C)C)CC1 ZINC000057638253 569440451 /nfs/dbraw/zinc/44/04/51/569440451.db2.gz KMFDSFKENGCGJL-UHFFFAOYSA-N 1 1 431.587 2.403 50 0 IEAAMO CCOC(=O)N1CCN(C(=O)C[N@H+]2CCC[C@@H](c3nc(-c4cccc(F)c4)no3)C2)CC1 ZINC000058158520 569449073 /nfs/dbraw/zinc/44/90/73/569449073.db2.gz BWWPMFNASTZMDB-QGZVFWFLSA-N 1 1 445.495 2.356 50 0 IEAAMO CCOC(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+](Cc3nc(-c4cccs4)no3)C2)CC1 ZINC000031056367 569452995 /nfs/dbraw/zinc/45/29/95/569452995.db2.gz FSTGOKCRNSQUIB-OAHLLOKOSA-N 1 1 433.534 2.311 50 0 IEAAMO CCOC(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+](Cc3nc(-c4cccs4)no3)C2)CC1 ZINC000031056367 569452996 /nfs/dbraw/zinc/45/29/96/569452996.db2.gz FSTGOKCRNSQUIB-OAHLLOKOSA-N 1 1 433.534 2.311 50 0 IEAAMO CC(=O)Oc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2CCC[N@H+]2[C@]32c3cc(C)ccc3NC2=O)cc1 ZINC000059415194 569461268 /nfs/dbraw/zinc/46/12/68/569461268.db2.gz QIFJRSYJVPXERO-UGCAPWQASA-N 1 1 445.475 2.352 50 0 biogenic IEAAMO CS(=O)(=O)Nc1cccc(NC(=O)C2CC[NH+](CC(=O)Nc3ccc(F)cc3)CC2)c1 ZINC000038581060 569464124 /nfs/dbraw/zinc/46/41/24/569464124.db2.gz SONUKJINPKLVSG-UHFFFAOYSA-N 1 1 448.520 2.486 50 0 IEAAMO COc1cccc(-c2cc(C(F)(F)F)n3ncc(C(=O)NN4CC[NH+](C)CC4)c3n2)c1 ZINC000008435648 569464322 /nfs/dbraw/zinc/46/43/22/569464322.db2.gz RQTWNNRECQRHCC-UHFFFAOYSA-N 1 1 434.422 2.316 50 0 IEAAMO O=C(NCCn1nc(-c2ccco2)ccc1=O)C1CC[NH+](Cc2nc3ccccc3[nH]2)CC1 ZINC000038677264 569466606 /nfs/dbraw/zinc/46/66/06/569466606.db2.gz QFHDEPWIFBIOPB-UHFFFAOYSA-N 1 1 446.511 2.408 50 0 IEAAMO COC(=O)C1C(CN2CC[NH+](C3CCCCC3)CC2)=NC(=O)N[C@H]1c1cccc(OC)c1 ZINC000067287824 569467262 /nfs/dbraw/zinc/46/72/62/569467262.db2.gz IIINDTOBLKIMKF-QFIPXVFZSA-N 1 1 442.560 2.427 50 0 IEAAMO COc1ccccc1N1C(=O)C[C@@H]([NH+]2CCC(n3nnc(-c4cccs4)n3)CC2)C1=O ZINC000008694543 569470089 /nfs/dbraw/zinc/47/00/89/569470089.db2.gz YXNOOQBNVHVGAR-MRXNPFEDSA-N 1 1 438.513 2.379 50 0 IEAAMO COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(C(=O)C[N@H+]1CCC[C@H](C(N)=O)C1)CC2 ZINC000040012040 569482506 /nfs/dbraw/zinc/48/25/06/569482506.db2.gz GTITWPWGRJSADP-YADARESESA-N 1 1 437.540 2.375 50 0 IEAAMO CCc1nn(CC(=O)NCCC[N@H+]2CCc3ccccc3C2)c(=O)c2cc3occc3n21 ZINC000008964967 569491274 /nfs/dbraw/zinc/49/12/74/569491274.db2.gz INKHCJTXWCFWFO-UHFFFAOYSA-N 1 1 433.512 2.369 50 0 IEAAMO O=C(C[N@H+](Cc1ccc2c(c1)OCO2)C1CCCC1)NN1C(=O)NC2(CCCCC2)C1=O ZINC000009052760 569498774 /nfs/dbraw/zinc/49/87/74/569498774.db2.gz JNJMQJCAOOJQKO-UHFFFAOYSA-N 1 1 442.516 2.446 50 0 IEAAMO O=C(C[N@@H+](Cc1ccc2c(c1)OCO2)C1CCCC1)NN1C(=O)NC2(CCCCC2)C1=O ZINC000009052760 569498775 /nfs/dbraw/zinc/49/87/75/569498775.db2.gz JNJMQJCAOOJQKO-UHFFFAOYSA-N 1 1 442.516 2.446 50 0 IEAAMO C[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)NCCC[N@H+]3CCCC[C@H]3C)c2)C[C@@H](C)O1 ZINC000245237199 569500465 /nfs/dbraw/zinc/50/04/65/569500465.db2.gz GDKMONJKOQNNQL-GUDVDZBRSA-N 1 1 437.606 2.479 50 0 IEAAMO Cn1nc(C2CC[NH+](CC(=O)Nc3ccc4c(c3)OCCO4)CC2)n(-c2ccccc2)c1=O ZINC000077100645 569585440 /nfs/dbraw/zinc/58/54/40/569585440.db2.gz WGOPQICIZNGJJA-UHFFFAOYSA-N 1 1 449.511 2.160 50 0 IEAAMO CCOc1cc(N2CCOCC2)c(OCC)cc1N[C@@H](C)C(=O)N1CC[NH+](CC)CC1 ZINC000005902899 132275703 /nfs/dbraw/zinc/27/57/03/132275703.db2.gz MHWPGOMUXOUQNJ-SFHVURJKSA-N 1 1 434.581 2.285 50 0 IEAAMO CC(C)Oc1ccc(C[N@@H+]2CC[C@@H](N3CCN(c4ccccn4)CC3)[C@H](O)C2)cc1CO ZINC000012592948 519779099 /nfs/dbraw/zinc/77/90/99/519779099.db2.gz UCYPTMAMDMYTHH-DHIUTWEWSA-N 1 1 440.588 2.119 50 0 IEAAMO CC(C)Oc1ccc(C[N@H+]2CC[C@@H](N3CCN(c4ccccn4)CC3)[C@H](O)C2)cc1CO ZINC000012592948 519779100 /nfs/dbraw/zinc/77/91/00/519779100.db2.gz UCYPTMAMDMYTHH-DHIUTWEWSA-N 1 1 440.588 2.119 50 0 IEAAMO CCC[NH+]1CCC(N2C[C@@H](NCc3c(F)cccc3F)C[C@H]2C(=O)NCCOC)CC1 ZINC000020601750 519844747 /nfs/dbraw/zinc/84/47/47/519844747.db2.gz WJRLBHFZNJROGE-JTSKRJEESA-N 1 1 438.563 2.134 50 0 IEAAMO CCOc1ccc(C(=O)N(CCC(=O)N2CCNCC2)CC[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000035422030 520891968 /nfs/dbraw/zinc/89/19/68/520891968.db2.gz ZBQBVLAFFQYDTB-FQEVSTJZSA-N 1 1 430.593 2.224 50 0 IEAAMO CCOc1ccc(C(=O)N(CCC(=O)N2CCNCC2)CC[N@H+]2CCCC[C@@H]2C)cc1 ZINC000035422030 520891976 /nfs/dbraw/zinc/89/19/76/520891976.db2.gz ZBQBVLAFFQYDTB-FQEVSTJZSA-N 1 1 430.593 2.224 50 0 IEAAMO CCOc1ccc(C(=O)N(CCC[NH+]2CCCCC2)CCC(=O)N2CCNCC2)cc1 ZINC000035422003 520893789 /nfs/dbraw/zinc/89/37/89/520893789.db2.gz ZICRSGCVBOGDSX-UHFFFAOYSA-N 1 1 430.593 2.225 50 0 IEAAMO CCOC(=O)C[C@H]1CCCCN1Cc1c(C(=O)N2CCC[N@@H+](C)CC2)nc2sccn12 ZINC000012302146 520897564 /nfs/dbraw/zinc/89/75/64/520897564.db2.gz MDKGVLBANXSNCE-QGZVFWFLSA-N 1 1 447.605 2.481 50 0 IEAAMO CCOc1ccc(NC(=O)C(=O)NCCN2CC[NH+](Cc3ccc(F)cc3)CC2)cc1 ZINC000022591485 521046709 /nfs/dbraw/zinc/04/67/09/521046709.db2.gz PCHBXJAKUMXELK-UHFFFAOYSA-N 1 1 428.508 2.097 50 0 IEAAMO CC[NH+]1CCN([C@H]2CC(=O)N(c3ccc(Br)cc3Br)C2=O)CC1 ZINC000022796789 521695263 /nfs/dbraw/zinc/69/52/63/521695263.db2.gz KWJPBHNYJALXFU-AWEZNQCLSA-N 1 1 445.155 2.481 50 0 IEAAMO COC(=O)c1cnn(-c2ccc(C(=O)NCCC[N@H+]3CCc4ccccc4C3)cc2)c1N ZINC000021652428 522350729 /nfs/dbraw/zinc/35/07/29/522350729.db2.gz YMSBMUJTDPSAKY-UHFFFAOYSA-N 1 1 433.512 2.419 50 0 IEAAMO COc1cc(C[N@@H+]2CCc3nnc(CNC(=O)Cc4cccc(F)c4)n3CC2)ccc1O ZINC000020450391 522399615 /nfs/dbraw/zinc/39/96/15/522399615.db2.gz IQFOUBUATVIQND-UHFFFAOYSA-N 1 1 439.491 2.049 50 0 IEAAMO C[N@@H+](CCCNC(=O)c1ccc(CN2CC(=O)N3CCC[C@@H]3C2=O)cc1)Cc1ccccc1 ZINC000021527206 522769428 /nfs/dbraw/zinc/76/94/28/522769428.db2.gz RLOXSDQSOHJCDN-HSZRJFAPSA-N 1 1 448.567 2.272 50 0 IEAAMO COCC(=O)N[C@H](c1nnc2n1CC[N@H+](Cc1ccc(OC)c(C)c1C)CC2)C(C)C ZINC000020453171 522776843 /nfs/dbraw/zinc/77/68/43/522776843.db2.gz UKFSNBHZBJZKON-QFIPXVFZSA-N 1 1 429.565 2.422 50 0 IEAAMO COc1cc(OC)c(C[N@H+]2CCc3nnc([C@H](C)NC(=O)C(C)C)n3CC2)c(OC)c1 ZINC000012244119 522793691 /nfs/dbraw/zinc/79/36/91/522793691.db2.gz XBCKVYHFAOFRIO-HNNXBMFYSA-N 1 1 431.537 2.195 50 0 IEAAMO COc1cc(OC)c(C[N@@H+]2CCc3nnc([C@H](C)NC(=O)C(C)C)n3CC2)c(OC)c1 ZINC000012244119 522793701 /nfs/dbraw/zinc/79/37/01/522793701.db2.gz XBCKVYHFAOFRIO-HNNXBMFYSA-N 1 1 431.537 2.195 50 0 IEAAMO COc1cc(OC)cc(C(=O)Nc2ccccc2C(=O)NCCC[NH+]2CCOCC2)c1 ZINC000020663765 522856781 /nfs/dbraw/zinc/85/67/81/522856781.db2.gz YHJATMVJYCZSIC-UHFFFAOYSA-N 1 1 427.501 2.408 50 0 IEAAMO CCn1cc(C(=O)N2CCC[C@@H]([NH+]3CCN(Cc4ccc5c(c4)OCO5)CC3)C2)cn1 ZINC000020905705 523329009 /nfs/dbraw/zinc/32/90/09/523329009.db2.gz FMZMUSFESHTDBP-HXUWFJFHSA-N 1 1 425.533 2.054 50 0 IEAAMO CO[C@H]1CN(Cc2ccccc2)C(=O)C[N@H+](Cc2c(C)n(C)n(-c3ccccc3)c2=O)C1 ZINC000020998926 523737410 /nfs/dbraw/zinc/73/74/10/523737410.db2.gz MUVMMRDDBGZTCE-JOCHJYFZSA-N 1 1 434.540 2.344 50 0 IEAAMO CO[C@H]1CN(Cc2ccccc2)C(=O)C[N@@H+](Cc2c(C)n(C)n(-c3ccccc3)c2=O)C1 ZINC000020998926 523737416 /nfs/dbraw/zinc/73/74/16/523737416.db2.gz MUVMMRDDBGZTCE-JOCHJYFZSA-N 1 1 434.540 2.344 50 0 IEAAMO CN1CC[NH+](CCCNC(=O)C2CCN(c3ccc(-c4cccs4)nn3)CC2)CC1 ZINC000021538873 523897032 /nfs/dbraw/zinc/89/70/32/523897032.db2.gz OPCKZOXKNGBJDH-UHFFFAOYSA-N 1 1 428.606 2.175 50 0 IEAAMO COc1ccc(C[N@@H+]2CCc3nc(N4CCN(c5ncccn5)CC4)ncc3C2)c(OC)c1 ZINC000021039935 524039329 /nfs/dbraw/zinc/03/93/29/524039329.db2.gz DQECILIOGCXDPT-UHFFFAOYSA-N 1 1 447.543 2.169 50 0 IEAAMO COc1ccc(C[N@H+]2CCc3nc(N4CCN(c5ncccn5)CC4)ncc3C2)c(OC)c1 ZINC000021039935 524039333 /nfs/dbraw/zinc/03/93/33/524039333.db2.gz DQECILIOGCXDPT-UHFFFAOYSA-N 1 1 447.543 2.169 50 0 IEAAMO COc1ccc(C[N@@H+]2CCc3nnc(CCNC(=O)Cc4ccc(F)cc4)n3CC2)cc1 ZINC000020919238 524039652 /nfs/dbraw/zinc/03/96/52/524039652.db2.gz SFJRARFKNIZYAQ-UHFFFAOYSA-N 1 1 437.519 2.386 50 0 IEAAMO COc1ccc(N2C[C@H](NC(=O)N3CC[NH+](Cc4ccccc4)CC3)CC2=O)cc1OC ZINC000022664650 524449405 /nfs/dbraw/zinc/44/94/05/524449405.db2.gz OSFDSKYNKZOXAS-LJQANCHMSA-N 1 1 438.528 2.337 50 0 IEAAMO Cc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)N2CCC[N@@H+](Cc3cccs3)CC2)cc1 ZINC000012710797 524460426 /nfs/dbraw/zinc/46/04/26/524460426.db2.gz HPWNJXBJWSLVBT-QFIPXVFZSA-N 1 1 440.613 2.482 50 0 IEAAMO COc1ccc(OCC(=O)Nc2ccc3c(c2)nc(CC[NH+]2CCN(C)CC2)n3C)cc1 ZINC000020519411 524936015 /nfs/dbraw/zinc/93/60/15/524936015.db2.gz PAKYZBCOKMKUME-UHFFFAOYSA-N 1 1 437.544 2.389 50 0 IEAAMO COc1ccc(OCC[NH+]2CCN(CN3C(=O)NC4(CCC(C)CC4)C3=O)CC2)cc1 ZINC000022815571 524952981 /nfs/dbraw/zinc/95/29/81/524952981.db2.gz BKKNVKRJMOMAAL-UHFFFAOYSA-N 1 1 430.549 2.150 50 0 IEAAMO Cc1ccc(OCC[N@@H+](C)CC(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2N(C)C)cc1 ZINC000012522528 525418748 /nfs/dbraw/zinc/41/87/48/525418748.db2.gz BJDPGXSLKGWQCG-UHFFFAOYSA-N 1 1 448.589 2.261 50 0 IEAAMO Cc1ccc(OCC[N@H+](C)CC(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2N(C)C)cc1 ZINC000012522528 525418752 /nfs/dbraw/zinc/41/87/52/525418752.db2.gz BJDPGXSLKGWQCG-UHFFFAOYSA-N 1 1 448.589 2.261 50 0 IEAAMO C[C@@]1(CSc2ccccc2C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)NC(=O)NC1=O ZINC000012927740 525856906 /nfs/dbraw/zinc/85/69/06/525856906.db2.gz BNFWOLJKFQFEDZ-HXOBKFHXSA-N 1 1 438.553 2.381 50 0 IEAAMO COc1cccc(C[N@H+](C)CC(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2N(C)C)c1 ZINC000012521937 525912626 /nfs/dbraw/zinc/91/26/26/525912626.db2.gz NFFFOFVJHJBZML-UHFFFAOYSA-N 1 1 434.562 2.082 50 0 IEAAMO COc1cccc(C[N@@H+](C)CC(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2N(C)C)c1 ZINC000012521937 525912637 /nfs/dbraw/zinc/91/26/37/525912637.db2.gz NFFFOFVJHJBZML-UHFFFAOYSA-N 1 1 434.562 2.082 50 0 IEAAMO C[C@H](C(=O)Nc1sc2c(c1C(N)=O)CCC2)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000022789331 526174915 /nfs/dbraw/zinc/17/49/15/526174915.db2.gz JLANJRUQYKPLIV-MRXNPFEDSA-N 1 1 442.585 2.359 50 0 IEAAMO Cc1cc(C(=O)N2CCC[C@@H]([NH+]3CCN(Cc4ccc5c(c4)OCO5)CC3)C2)nc(C)n1 ZINC000020997553 526246144 /nfs/dbraw/zinc/24/61/44/526246144.db2.gz QJSYJYZILRBQEJ-HXUWFJFHSA-N 1 1 437.544 2.245 50 0 IEAAMO O=C(NCC[N@@H+]1CCCC[C@H]1CO)c1cccc(OC2CCN(C(=O)C3CC3)CC2)c1 ZINC000012298449 526310170 /nfs/dbraw/zinc/31/01/70/526310170.db2.gz VJDRNPHZNDADCX-FQEVSTJZSA-N 1 1 429.561 2.043 50 0 IEAAMO O=C(NC[C@H]1CCCO1)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000035485243 526599273 /nfs/dbraw/zinc/59/92/73/526599273.db2.gz MOTHUJKQNSAOTL-QDSKXPNFSA-N 1 1 446.551 2.205 50 0 biogenic IEAAMO O=C(NCc1ccccc1)N1CCO[C@H](C[N@@H+]2CCCN(C(=O)c3ccco3)CC2)C1 ZINC000035881872 526733171 /nfs/dbraw/zinc/73/31/71/526733171.db2.gz UDYIVOMJQGIMSV-HXUWFJFHSA-N 1 1 426.517 2.038 50 0 IEAAMO O=C(NCc1ccccc1)N1CCO[C@H](C[N@H+]2CCCN(C(=O)c3ccco3)CC2)C1 ZINC000035881872 526733179 /nfs/dbraw/zinc/73/31/79/526733179.db2.gz UDYIVOMJQGIMSV-HXUWFJFHSA-N 1 1 426.517 2.038 50 0 IEAAMO Cc1nc(N2CCN(C(=O)c3cccc(Br)c3)CC2)cc(N2CCOCC2)[nH+]1 ZINC000021793852 526971235 /nfs/dbraw/zinc/97/12/35/526971235.db2.gz IFHWEMCRKCUQOH-UHFFFAOYSA-N 1 1 446.349 2.347 50 0 IEAAMO O=C(C[C@@H]1C(=O)NCC[N@H+]1Cc1cccc2ccccc21)N1CCN(c2ccccn2)CC1 ZINC000012756387 527099337 /nfs/dbraw/zinc/09/93/37/527099337.db2.gz WVCVSTXVBFBMMB-HSZRJFAPSA-N 1 1 443.551 2.274 50 0 IEAAMO O=C(C[C@@H]1C(=O)NCC[N@@H+]1Cc1cccc2ccccc21)N1CCN(c2ccccn2)CC1 ZINC000012756387 527099342 /nfs/dbraw/zinc/09/93/42/527099342.db2.gz WVCVSTXVBFBMMB-HSZRJFAPSA-N 1 1 443.551 2.274 50 0 IEAAMO O=S(=O)(CC1CC1)c1ncc(CN2CC[NH+](C3CCCC3)CC2)n1C[C@@H]1CCCO1 ZINC000020992562 527164449 /nfs/dbraw/zinc/16/44/49/527164449.db2.gz JICQUGCCPQFXFI-NRFANRHFSA-N 1 1 436.622 2.306 50 0 IEAAMO COc1ccccc1N1CC[NH+](Cc2ccc(C(=O)N3CCN(C(C)=O)CC3)cc2)CC1 ZINC000034668489 555792413 /nfs/dbraw/zinc/79/24/13/555792413.db2.gz ZTWUYYICWFYRBF-UHFFFAOYSA-N 1 1 436.556 2.322 50 0 IEAAMO CC(C)(C)OC[C@H](O)C[NH+]1CCN(Cc2nc(C(=O)Nc3cccc(F)c3)co2)CC1 ZINC000034677180 555795331 /nfs/dbraw/zinc/79/53/31/555795331.db2.gz CFHOHLPXBSGZEK-GOSISDBHSA-N 1 1 434.512 2.360 50 0 IEAAMO CCC(CC)C[N@H+]1C[C@@H](n2cc(C(=O)OC)nn2)C[C@H]1C(=O)NCCc1ccccc1 ZINC000011788391 556354625 /nfs/dbraw/zinc/35/46/25/556354625.db2.gz PVELELSWVVEFTH-FPOVZHCZSA-N 1 1 427.549 2.475 50 0 IEAAMO O=C(CN1CCN(C(=O)C[NH2+][C@@H](c2cccs2)c2ccc(F)cc2)CC1)N1CCCC1 ZINC000014142369 556377548 /nfs/dbraw/zinc/37/75/48/556377548.db2.gz JSTGSVSEYWIJGA-HSZRJFAPSA-N 1 1 444.576 2.333 50 0 IEAAMO O=C(Cc1cccs1)N1CCC[C@@H]1C(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000072273062 556446298 /nfs/dbraw/zinc/44/62/98/556446298.db2.gz POCWRNPVFLVLPM-OAQYLSRUSA-N 1 1 427.570 2.430 50 0 IEAAMO COc1ccc(/C=C/C[N@@H+]2CCc3nnc([C@@H](NS(C)(=O)=O)C(C)C)n3CC2)cc1 ZINC000014880598 556453547 /nfs/dbraw/zinc/45/35/47/556453547.db2.gz VZTRCSUMDNCWGS-XJDXJNMNSA-N 1 1 433.578 2.105 50 0 IEAAMO CC(C)Oc1ccc(C[N@@H+]2CCc3nnc([C@H](NS(C)(=O)=O)C(C)C)n3CC2)cc1 ZINC000014968731 556466371 /nfs/dbraw/zinc/46/63/71/556466371.db2.gz WQKYULYYJVIJMX-HXUWFJFHSA-N 1 1 435.594 2.370 50 0 IEAAMO CCOc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N3CC[NH+](CC)CC3)C2)cc1Cl ZINC000013119417 556471807 /nfs/dbraw/zinc/47/18/07/556471807.db2.gz DHFSSPDIOALVPI-INIZCTEOSA-N 1 1 443.997 2.304 50 0 IEAAMO CCC(CC)C(=O)N1CCN(CCOc2cccc(C[N@@H+](C)C[C@H]3CCC(=O)N3)c2)CC1 ZINC000014995529 556477583 /nfs/dbraw/zinc/47/75/83/556477583.db2.gz FCKVDRGAXTWPJM-JOCHJYFZSA-N 1 1 444.620 2.356 50 0 IEAAMO COc1ccc(C)cc1C[NH+]1CCN(CN2C(=O)C(=O)N(Cc3cccs3)C2=O)CC1 ZINC000030282086 556492372 /nfs/dbraw/zinc/49/23/72/556492372.db2.gz WBXZGJXQBGHRSH-UHFFFAOYSA-N 1 1 442.541 2.131 50 0 IEAAMO CCOC(=O)c1ccc(N2C(=O)C[C@@H]([NH+]3CCC(CCN4CCCC4=O)CC3)C2=O)cc1 ZINC000015319020 556519836 /nfs/dbraw/zinc/51/98/36/556519836.db2.gz ZGMKMFWEBNCYCE-HXUWFJFHSA-N 1 1 441.528 2.220 50 0 IEAAMO COc1ccc(NC(=O)[C@H]2C[C@H](CC(N)=O)[NH2+][C@@]23c2cc(Cl)cc(C)c2NC3=O)cc1 ZINC000013592027 556529973 /nfs/dbraw/zinc/52/99/73/556529973.db2.gz IUSQBQUNWOTHPI-SRVWHDFXSA-N 1 1 442.903 2.297 50 0 IEAAMO O=C(CCC(=O)N1CC[NH+](Cc2ccccc2)CC1)N1CCN(Cc2ccccc2)CC1 ZINC000016225716 556592349 /nfs/dbraw/zinc/59/23/49/556592349.db2.gz RMIYQXDIOAJURM-UHFFFAOYSA-N 1 1 434.584 2.455 50 0 IEAAMO CC[NH+]1CCN(C(=O)CN(c2ccccc2)S(=O)(=O)c2cc(C)ccc2OC)CC1 ZINC000016487670 556611717 /nfs/dbraw/zinc/61/17/17/556611717.db2.gz CFFJYOVLXYKKBP-UHFFFAOYSA-N 1 1 431.558 2.363 50 0 IEAAMO COc1ccc(CN2C(=O)N[C@H](CC(=O)N(C)C[C@@H]3CCC[N@H+]4CCCC[C@@H]34)C2=O)cc1 ZINC000409415286 556641631 /nfs/dbraw/zinc/64/16/31/556641631.db2.gz ZAIMGDOCCDXKAV-TYPHKJRUSA-N 1 1 442.560 2.229 50 0 IEAAMO COc1ccc(N2C(=O)N[C@H](CC(=O)N(C)C[C@@H]3CCC[N@H+]4CCCC[C@H]34)C2=O)cc1 ZINC000409415311 556641995 /nfs/dbraw/zinc/64/19/95/556641995.db2.gz ZVEQVYGYCGORPG-PWIZWCRZSA-N 1 1 428.533 2.233 50 0 IEAAMO COc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000247928893 556645348 /nfs/dbraw/zinc/64/53/48/556645348.db2.gz QXPYYZXDAOTZCO-UGKGYDQZSA-N 1 1 443.569 2.239 50 0 IEAAMO COc1ccc(N2C(=O)N[C@H](CCC(=O)NC[C@H]3CCC[N@H+]4CCCC[C@@H]34)C2=O)cc1 ZINC000248123522 556667769 /nfs/dbraw/zinc/66/77/69/556667769.db2.gz GIEBOJNVUUTFQJ-AHRSYUTCSA-N 1 1 428.533 2.281 50 0 IEAAMO CCOc1ccc(S(=O)(=O)Nc2cccc(C(=O)NCCC[NH+]3CCOCC3)c2)cc1 ZINC000017171377 556671424 /nfs/dbraw/zinc/67/14/24/556671424.db2.gz SWHXOOSWNZNYLV-UHFFFAOYSA-N 1 1 447.557 2.338 50 0 IEAAMO CC[NH+](CC)CCN(CCC(=O)N1CCNCC1)C(=O)c1ccc(C(F)(F)F)cc1 ZINC000045966634 556688786 /nfs/dbraw/zinc/68/87/86/556688786.db2.gz IIOSSDBRLDLEHY-UHFFFAOYSA-N 1 1 428.499 2.311 50 0 IEAAMO C[C@@H](CN(CCS(=O)(=O)N1CC[NH2+]CC1)C(=O)c1ccc(F)cc1)c1ccccc1 ZINC000046140938 556691840 /nfs/dbraw/zinc/69/18/40/556691840.db2.gz QPCKCYQSWPHRFX-SFHVURJKSA-N 1 1 433.549 2.307 50 0 IEAAMO O=C(c1ccc(F)cc1)N(CCCc1ccccc1)CCS(=O)(=O)N1CC[NH2+]CC1 ZINC000046141009 556692034 /nfs/dbraw/zinc/69/20/34/556692034.db2.gz QJLZVULWPCFKME-UHFFFAOYSA-N 1 1 433.549 2.136 50 0 IEAAMO CCN1CC[NH+](CCCNC(=O)CC2CCN(C(=O)c3[nH]c(C)c(C)c3C)CC2)CC1 ZINC000033024420 556695294 /nfs/dbraw/zinc/69/52/94/556695294.db2.gz FCAJAAKXJMQHSA-UHFFFAOYSA-N 1 1 431.625 2.326 50 0 IEAAMO Cc1cccc(N2CCC(NC(=O)[C@H]3CCC(=O)N(CCC[NH+]4CCOCC4)C3)CC2)c1 ZINC000019228402 556717314 /nfs/dbraw/zinc/71/73/14/556717314.db2.gz YKGPEPJJFCFNNU-NRFANRHFSA-N 1 1 442.604 2.041 50 0 IEAAMO C[NH+]1CCN([C@@H]2CCN(C(=O)c3cccc4c3C(=O)c3cc(Cl)ccc3-4)C[C@H]2O)CC1 ZINC000019229382 556718061 /nfs/dbraw/zinc/71/80/61/556718061.db2.gz HKBSZSZVILXZNH-NHCUHLMSSA-N 1 1 439.943 2.374 50 0 IEAAMO NC(=O)[C@@H]1CCC[N@H+]1C1CCN(C(=O)CCc2ncc(-c3ccc(F)cc3F)o2)CC1 ZINC000058312171 556780106 /nfs/dbraw/zinc/78/01/06/556780106.db2.gz NGRVZAUHLOIBAJ-SFHVURJKSA-N 1 1 432.471 2.493 50 0 IEAAMO CC[NH+]1CCN(C(=O)CN(c2cc(C)ccc2OC)S(=O)(=O)c2ccccc2)CC1 ZINC000019527829 556787327 /nfs/dbraw/zinc/78/73/27/556787327.db2.gz VJMOVVPUSWGESP-UHFFFAOYSA-N 1 1 431.558 2.363 50 0 IEAAMO Cc1ncn(-c2cc(N3CCN(S(=O)(=O)c4ccc(F)cc4)CC3)[nH+]c(C)n2)c1C ZINC000072442540 556973282 /nfs/dbraw/zinc/97/32/82/556973282.db2.gz LBQKPCISISSKML-UHFFFAOYSA-N 1 1 430.509 2.238 50 0 IEAAMO COc1ccc(CN2CC[N@@H+](CCc3ccccc3)[C@@H](CCO)C2)cc1Cn1cncn1 ZINC000020205138 556997842 /nfs/dbraw/zinc/99/78/42/556997842.db2.gz DIDNUGDNNSJBFT-DEOSSOPVSA-N 1 1 435.572 2.446 50 0 IEAAMO C[NH+]1CCN(CCC(=O)N2CCC[C@H](CNC(=O)C3(c4ccc(Cl)cc4)CC3)C2)CC1 ZINC000020236008 557002364 /nfs/dbraw/zinc/00/23/64/557002364.db2.gz LTPGEBWPAZYKDV-LJQANCHMSA-N 1 1 447.023 2.364 50 0 IEAAMO COc1ccc(N2C[C@H](C(=O)N3CC[NH+](CCc4ccncc4)CC3)CC2=O)cc1Cl ZINC000020426989 557015691 /nfs/dbraw/zinc/01/56/91/557015691.db2.gz JJHJEHIGOAICME-GOSISDBHSA-N 1 1 442.947 2.483 50 0 IEAAMO O=C(c1ccc(F)cc1)N(CCS(=O)(=O)N1CC[NH2+]CC1)Cc1ccccc1Cl ZINC000046140767 557042386 /nfs/dbraw/zinc/04/23/86/557042386.db2.gz ASPMVJNCQUDNNB-UHFFFAOYSA-N 1 1 439.940 2.357 50 0 IEAAMO CC(C)CNC(=O)c1cc(NS(=O)(=O)c2ccccc2F)ccc1N1CC[NH2+]CC1 ZINC000033275441 557054541 /nfs/dbraw/zinc/05/45/41/557054541.db2.gz MFTGGANZGZQMNN-UHFFFAOYSA-N 1 1 434.537 2.422 50 0 IEAAMO Cc1[nH+]ccn1-c1cc(CNC(=O)[C@@H]2CCCN(S(=O)(=O)c3cccs3)C2)ccn1 ZINC000048309605 557059935 /nfs/dbraw/zinc/05/99/35/557059935.db2.gz VZKKCZBITXGQQU-QGZVFWFLSA-N 1 1 445.570 2.354 50 0 IEAAMO COc1ccc(NC(=O)NC[C@H]([C@@H]2CCOC2)[NH+]2CCOCC2)cc1N1CCCCC1=O ZINC000048302351 557063236 /nfs/dbraw/zinc/06/32/36/557063236.db2.gz JYKPKCZEYJCOHV-YLJYHZDGSA-N 1 1 446.548 2.071 50 0 IEAAMO Cc1[nH+]ccn1-c1cc(CNC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccccc3)C2)ccn1 ZINC000048325223 557065917 /nfs/dbraw/zinc/06/59/17/557065917.db2.gz PVUVAIBYYMJBFR-LJQANCHMSA-N 1 1 439.541 2.293 50 0 IEAAMO CCN(CC)S(=O)(=O)c1ccc(N2CC[NH+](Cc3ccc(OC)c(OC)c3)CC2)nc1 ZINC000023296208 557082818 /nfs/dbraw/zinc/08/28/18/557082818.db2.gz HZWWRPHKZJIXEJ-UHFFFAOYSA-N 1 1 448.589 2.452 50 0 IEAAMO Cc1noc(C)c1C(=O)N1CCC[C@@H]([NH+]2CCN(Cc3ccc4c(c3)OCO4)CC2)C1 ZINC000023375119 557088802 /nfs/dbraw/zinc/08/88/02/557088802.db2.gz DZWZMMONRWDSIX-LJQANCHMSA-N 1 1 426.517 2.443 50 0 IEAAMO COC(=O)c1ccc(NC(=O)Cn2cnc3c(c2=O)C[N@@H+](Cc2ccccc2)CC3)cc1 ZINC000049400744 557096107 /nfs/dbraw/zinc/09/61/07/557096107.db2.gz HEFOYZYNZJQDNB-UHFFFAOYSA-N 1 1 432.480 2.227 50 0 IEAAMO Cc1ccc(-n2nnnc2SCC(=O)NCC2([NH+]3CCOCC3)CCCCC2)cc1 ZINC000023805312 557117025 /nfs/dbraw/zinc/11/70/25/557117025.db2.gz MGYRVEXWLUETJN-UHFFFAOYSA-N 1 1 430.578 2.214 50 0 IEAAMO C[C@]1(c2ccc3c(c2)CCC3)NC(=O)N(CC(=O)N2CC[NH+](Cc3ccccc3)CC2)C1=O ZINC000023818657 557118279 /nfs/dbraw/zinc/11/82/79/557118279.db2.gz QIRVZEGTZUFCTG-AREMUKBSSA-N 1 1 446.551 2.287 50 0 IEAAMO O=C1C[C@@H](NCCC[NH+]2CCN(c3ccc(F)cc3)CC2)C(=O)N1c1ccc(F)cc1 ZINC000095241501 557156804 /nfs/dbraw/zinc/15/68/04/557156804.db2.gz QEUPTKDZCUXDII-OAQYLSRUSA-N 1 1 428.483 2.399 50 0 IEAAMO COc1ccc(OC)c(-c2cc(C(=O)N3CCCC[C@@H]3C(=O)N3CC[NH+](C)CC3)no2)c1 ZINC000096210809 557183265 /nfs/dbraw/zinc/18/32/65/557183265.db2.gz JONNZRUDVAVFAW-LJQANCHMSA-N 1 1 442.516 2.128 50 0 IEAAMO COCCN(C[C@H]1CCC[N@H+]2CCCC[C@H]12)C(=O)CCCn1nnc2ccccc2c1=O ZINC000583648159 557241247 /nfs/dbraw/zinc/24/12/47/557241247.db2.gz SPIIGGBBWHFIGO-DENIHFKCSA-N 1 1 441.576 2.311 50 0 biogenic IEAAMO Cc1ccc(S(=O)(=O)NCCC(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)cc1C ZINC000018217046 557252610 /nfs/dbraw/zinc/25/26/10/557252610.db2.gz ILHIDQOQQVALSN-UHFFFAOYSA-N 1 1 445.585 2.120 50 0 IEAAMO COc1cccc(N2C(=O)C[C@H]([NH+]3CCC(n4nnc(-c5cccs5)n4)CC3)C2=O)c1 ZINC000025174479 557528721 /nfs/dbraw/zinc/52/87/21/557528721.db2.gz IKWSLUQTVLFFPL-KRWDZBQOSA-N 1 1 438.513 2.379 50 0 IEAAMO O=C([C@H]1CCCN(S(=O)(=O)c2cccs2)C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000024606966 557535951 /nfs/dbraw/zinc/53/59/51/557535951.db2.gz ATQAEBGLGNUZGC-IBGZPJMESA-N 1 1 433.599 2.493 50 0 IEAAMO CC[C@H](C)n1c(=O)c2ccccc2n(CC(=O)N2CC[NH+](Cc3ccccc3)CC2)c1=O ZINC000044840621 557539359 /nfs/dbraw/zinc/53/93/59/557539359.db2.gz MKDJPJOYECTYQY-IBGZPJMESA-N 1 1 434.540 2.479 50 0 IEAAMO NS(=O)(=O)c1cccc(CNC(=O)[C@@H]2CC[N@@H+](C[C@@H]3CCCc4ccccc43)C2)c1 ZINC000108179040 557542020 /nfs/dbraw/zinc/54/20/20/557542020.db2.gz WFWCGTFDFRIJGM-VQTJNVASSA-N 1 1 427.570 2.392 50 0 IEAAMO CN1C(=O)C[C@@H](NC(=O)CC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)[C@@H]1c1ccc(F)cc1 ZINC000225402741 557718741 /nfs/dbraw/zinc/71/87/41/557718741.db2.gz GMIIKJXLKADGCD-NQIIRXRSSA-N 1 1 448.539 2.157 50 0 IEAAMO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)c2nn(C)c3c2CS(=O)(=O)c2ccccc2-3)C1 ZINC000009405573 562970174 /nfs/dbraw/zinc/97/01/74/562970174.db2.gz USNWOBKBPCLWRC-IYBDPMFKSA-N 1 1 430.574 2.472 50 0 IEAAMO CCN(CC)S(=O)(=O)c1ccc2oc(C(=O)NCCC[NH+]3CCOCC3)c(C)c2c1 ZINC000020115831 563023787 /nfs/dbraw/zinc/02/37/87/563023787.db2.gz RQPOHGVXROPSQS-UHFFFAOYSA-N 1 1 437.562 2.224 50 0 IEAAMO CCOc1ccc(C[N@@H+]2CCN(Cc3cnc(N4CCOCC4)s3)C[C@H]2CCO)cc1 ZINC000036385571 563094439 /nfs/dbraw/zinc/09/44/39/563094439.db2.gz ULMAELALBFXRRL-HXUWFJFHSA-N 1 1 446.617 2.447 50 0 IEAAMO CCOc1ccc(C[N@H+]2CCN(Cc3cnc(N4CCOCC4)s3)C[C@H]2CCO)cc1 ZINC000036385571 563094441 /nfs/dbraw/zinc/09/44/41/563094441.db2.gz ULMAELALBFXRRL-HXUWFJFHSA-N 1 1 446.617 2.447 50 0 IEAAMO C[C@@H]1CN(c2ccccc2NC(=O)NC[C@H]([C@H]2CCOC2)[NH+]2CCOCC2)C[C@H](C)O1 ZINC000106103879 568624734 /nfs/dbraw/zinc/62/47/34/568624734.db2.gz LUFGJCYDKIZVBV-LMVRJCEZSA-N 1 1 432.565 2.159 50 0 IEAAMO CC[C@@H](C)n1c(=O)c2ccccc2n(CC(=O)N2CC[NH+](Cc3ccccc3)CC2)c1=O ZINC000044840616 568625413 /nfs/dbraw/zinc/62/54/13/568625413.db2.gz MKDJPJOYECTYQY-LJQANCHMSA-N 1 1 434.540 2.479 50 0 IEAAMO CC[C@H]1C[N@@H+](CCC(=O)N2CCN(c3nonc3C)CC2)Cc2cc(OC)ccc2O1 ZINC000299764562 568756221 /nfs/dbraw/zinc/75/62/21/568756221.db2.gz AUHAGUVSFBHNDY-SFHVURJKSA-N 1 1 429.521 2.099 50 0 IEAAMO COc1cc(=O)n2c(c1C(=O)NCCCn1ccnc1)CC[N@H+](C[C@H]1CC=CCC1)CC2 ZINC000299799995 568757926 /nfs/dbraw/zinc/75/79/26/568757926.db2.gz XKTDWHDSVWGWEP-IBGZPJMESA-N 1 1 439.560 2.088 50 0 IEAAMO CCOC(=O)[C@@H]1CCC[N@H+]([C@H]2CCC(=O)N(CCS(=O)(=O)c3ccccc3)CC2)C1 ZINC000011978203 568819469 /nfs/dbraw/zinc/81/94/69/568819469.db2.gz AMOXJQXBZDQKEW-MOPGFXCFSA-N 1 1 436.574 2.117 50 0 IEAAMO CC1CCN(Cc2c(O)c(=O)cc(C[N@@H+]3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)n2C)CC1 ZINC000085877053 568838536 /nfs/dbraw/zinc/83/85/36/568838536.db2.gz RRJHGBUWGMKKPK-MOPGFXCFSA-N 1 1 438.572 2.104 50 0 biogenic IEAAMO CC1CCN(Cc2c(O)c(=O)cc(C[N@H+]3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)n2C)CC1 ZINC000085877053 568838537 /nfs/dbraw/zinc/83/85/37/568838537.db2.gz RRJHGBUWGMKKPK-MOPGFXCFSA-N 1 1 438.572 2.104 50 0 biogenic IEAAMO CCOC(=O)[C@@H]1CCCN(CC2=NC(=O)N[C@H](c3cccc(Cl)c3)C2C(=O)OC)C1 ZINC000226944949 568885515 /nfs/dbraw/zinc/88/55/15/568885515.db2.gz QNTUDDDIPYPJCW-RDTXWAMCSA-N 1 1 435.908 2.396 50 0 IEAAMO C[C@@H](C(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)[N@H+]1CCC[C@H]1c1cccn1C ZINC000239274930 568910969 /nfs/dbraw/zinc/91/09/69/568910969.db2.gz AYOFLHWGSDULHY-RXVVDRJESA-N 1 1 430.574 2.084 50 0 IEAAMO CCOC(=O)C1=C(C[N@H+]2CCC[C@@H](C(=O)OCC)C2)N(C)C(=O)N[C@H]1c1ccccc1 ZINC000035991604 568941808 /nfs/dbraw/zinc/94/18/08/568941808.db2.gz ARVPEBVQTSWMIL-XLIONFOSSA-N 1 1 429.517 2.475 50 0 IEAAMO CCOC(=O)C1=C(C[N@@H+]2CCC[C@@H](C(=O)OCC)C2)N(C)C(=O)N[C@H]1c1ccccc1 ZINC000035991604 568941809 /nfs/dbraw/zinc/94/18/09/568941809.db2.gz ARVPEBVQTSWMIL-XLIONFOSSA-N 1 1 429.517 2.475 50 0 IEAAMO CC1CCN(c2ccc(-c3noc(C(=O)NCCC[NH+]4CCN(C)CC4)n3)cc2)CC1 ZINC000064746425 568949641 /nfs/dbraw/zinc/94/96/41/568949641.db2.gz JPWCOYCICQUMSX-UHFFFAOYSA-N 1 1 426.565 2.340 50 0 IEAAMO CCOC(=O)c1sc2[nH]c(C[N@H+](C[C@H](O)COC(C)C)C(C)C)nc(=O)c2c1C ZINC000036206656 568973187 /nfs/dbraw/zinc/97/31/87/568973187.db2.gz JMBLSDYLVRGLMR-AWEZNQCLSA-N 1 1 425.551 2.466 50 0 IEAAMO CCOC(=O)c1sc2[nH]c(C[N@@H+](C[C@H](O)COC(C)C)C(C)C)nc(=O)c2c1C ZINC000036206656 568973188 /nfs/dbraw/zinc/97/31/88/568973188.db2.gz JMBLSDYLVRGLMR-AWEZNQCLSA-N 1 1 425.551 2.466 50 0 IEAAMO CCOC(=O)CCC(=O)N1CC[NH+]([C@@H](C(=O)NCCc2ccccc2)C2CCCC2)CC1 ZINC000036253059 568984246 /nfs/dbraw/zinc/98/42/46/568984246.db2.gz QGDXLGNXWBSKGM-XMMPIXPASA-N 1 1 443.588 2.392 50 0 IEAAMO C[C@H](NC(=O)c1ccccc1NC(=O)C[N@@H+]1CCC[C@H](CNC(N)=O)C1)c1ccccc1 ZINC000036390359 569096510 /nfs/dbraw/zinc/09/65/10/569096510.db2.gz XWNZVNFFWYBSDZ-ZWKOTPCHSA-N 1 1 437.544 2.496 50 0 IEAAMO C[C@H](NC(=O)c1ccccc1NC(=O)C[N@H+]1CCC[C@H](CNC(N)=O)C1)c1ccccc1 ZINC000036390359 569096511 /nfs/dbraw/zinc/09/65/11/569096511.db2.gz XWNZVNFFWYBSDZ-ZWKOTPCHSA-N 1 1 437.544 2.496 50 0 IEAAMO C=C1C(N2CCCN(C(=O)Cn3cc[nH+]c3C)CC2)=NS(=O)(=O)C1c1ccc(C)cc1 ZINC000065239464 569120466 /nfs/dbraw/zinc/12/04/66/569120466.db2.gz ZNIKCLSXWOZWQL-UHFFFAOYSA-N 1 1 441.557 2.207 50 0 IEAAMO C[C@@H]1CN(C(C)(C)CNC(=O)[C@@H]2CCC[N@H+]2C2CCN(CC(F)(F)F)CC2)C[C@@H](C)O1 ZINC000089930285 569167998 /nfs/dbraw/zinc/16/79/98/569167998.db2.gz UTMUAUSLRHSIGY-LMMKCTJWSA-N 1 1 448.574 2.482 50 0 IEAAMO NS(=O)(=O)c1cccc(CNC(=O)[C@@H]2CC[N@@H+](C[C@H]3CCCc4ccccc43)C2)c1 ZINC000252512843 569189014 /nfs/dbraw/zinc/18/90/14/569189014.db2.gz WFWCGTFDFRIJGM-WOJBJXKFSA-N 1 1 427.570 2.392 50 0 IEAAMO COc1ccccc1CN1C(=O)N[C@H](CC(=O)NC[C@@H]2CCC[N@H+]3CCCC[C@H]23)C1=O ZINC000252539427 569190186 /nfs/dbraw/zinc/19/01/86/569190186.db2.gz NYHOVKOIJQODJM-QXAKKESOSA-N 1 1 428.533 2.091 50 0 IEAAMO CCOC(=O)c1ccc(NC(=O)[C@@H]2C[C@H]([C@H](C)O)[NH2+][C@]23C(=O)Nc2ccc(F)cc23)cc1 ZINC000253380908 569264126 /nfs/dbraw/zinc/26/41/26/569264126.db2.gz CBPOOYULSIEABU-CXAPEUGFSA-N 1 1 441.459 2.147 50 0 IEAAMO C[C@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)[N@@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000027570334 569273250 /nfs/dbraw/zinc/27/32/50/569273250.db2.gz JSVPZGIPEVUKRB-HZPDHXFCSA-N 1 1 430.530 2.012 50 0 IEAAMO C[C@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)[N@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000027570334 569273252 /nfs/dbraw/zinc/27/32/52/569273252.db2.gz JSVPZGIPEVUKRB-HZPDHXFCSA-N 1 1 430.530 2.012 50 0 IEAAMO O=C(NC[C@H]1CCCO1)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H]1Cc2ccccc2C[NH2+]1 ZINC000253487606 569283050 /nfs/dbraw/zinc/28/30/50/569283050.db2.gz MOTHUJKQNSAOTL-AGILITTLSA-N 1 1 446.551 2.205 50 0 IEAAMO COC(=O)C[C@H](c1oc(C[N@@H+]2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc(=O)c1O)C(C)C ZINC000225413199 569299212 /nfs/dbraw/zinc/29/92/12/569299212.db2.gz WAWOTHXNLZPALE-RYRKJORJSA-N 1 1 442.512 2.429 50 0 biogenic IEAAMO COC(=O)C[C@H](c1oc(C[N@H+]2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc(=O)c1O)C(C)C ZINC000225413199 569299213 /nfs/dbraw/zinc/29/92/13/569299213.db2.gz WAWOTHXNLZPALE-RYRKJORJSA-N 1 1 442.512 2.429 50 0 biogenic IEAAMO COc1ccc(COc2nc(N3CC[NH+](C)CC3)ncc2I)cc1 ZINC000115723530 569301951 /nfs/dbraw/zinc/30/19/51/569301951.db2.gz WTHORNFWMVPXRJ-UHFFFAOYSA-N 1 1 440.285 2.421 50 0 IEAAMO O=C(NCCC[NH+]1CCOCC1)c1cc(S(=O)(=O)N2CCCCCC2)ccc1Cl ZINC000020062158 569333072 /nfs/dbraw/zinc/33/30/72/569333072.db2.gz ILUCWRPCYDNYJH-UHFFFAOYSA-N 1 1 443.997 2.357 50 0 IEAAMO O=C(NCCC[NH+]1CCOCC1)c1ccc2c(c1)[nH]c(=S)n(-c1ccc(F)cc1)c2=O ZINC000020102794 569333970 /nfs/dbraw/zinc/33/39/70/569333970.db2.gz RSMAQPNVGHKSMV-UHFFFAOYSA-N 1 1 442.516 2.266 50 0 IEAAMO COc1cc2c(cc1OC)[C@@H](C(=O)N1CC[NH+](C)CC1)[C@H](c1cccs1)N(C)C2=O ZINC000020114141 569334752 /nfs/dbraw/zinc/33/47/52/569334752.db2.gz LZODQNVTJSEOJY-UXHICEINSA-N 1 1 429.542 2.450 50 0 IEAAMO COc1cc2c(cc1OC)[C@@H]1[C@@H](C(=O)N3CC[NH+](C)CC3)c3ccccc3C(=O)N1CC2 ZINC000020153364 569353446 /nfs/dbraw/zinc/35/34/46/569353446.db2.gz AZWZJYXEZJCDAJ-XZOQPEGZSA-N 1 1 435.524 2.315 50 0 IEAAMO CC[NH+]1CCN([C@@H](c2cccs2)[C@H](C)NC(=O)C(=O)NCc2ccc(F)cc2)CC1 ZINC000020287934 569359306 /nfs/dbraw/zinc/35/93/06/569359306.db2.gz VKEBUWGYFCUQRH-OXJNMPFZSA-N 1 1 432.565 2.387 50 0 IEAAMO CC[NH+]1CCN([C@@H](c2cccs2)[C@@H](C)NC(=O)C(=O)NCc2ccccc2OC)CC1 ZINC000020288015 569359309 /nfs/dbraw/zinc/35/93/09/569359309.db2.gz UDKOHTUMPJPSOX-DYESRHJHSA-N 1 1 444.601 2.256 50 0 IEAAMO CC[N@@H+](CCC1CCN(S(=O)(=O)c2ccc(-n3cnnn3)c(C)c2)CC1)CC1CC1 ZINC000095457699 569369090 /nfs/dbraw/zinc/36/90/90/569369090.db2.gz VDGZHGGBYGUZEN-UHFFFAOYSA-N 1 1 432.594 2.493 50 0 IEAAMO CCOC(=O)N[C@H]1CCC[N@H+](CCN2C(=O)COc3ccc(Br)cc32)C1 ZINC000095995298 569378583 /nfs/dbraw/zinc/37/85/83/569378583.db2.gz JCMILSWZASPPBP-AWEZNQCLSA-N 1 1 426.311 2.385 50 0 IEAAMO CCOC(=O)N[C@H]1CCC[N@@H+](CCN2C(=O)COc3ccc(Br)cc32)C1 ZINC000095995298 569378584 /nfs/dbraw/zinc/37/85/84/569378584.db2.gz JCMILSWZASPPBP-AWEZNQCLSA-N 1 1 426.311 2.385 50 0 IEAAMO CC(=O)N(CCc1ccccc1)CC(=O)Nc1ccc(C[NH+]2CCN(C(C)=O)CC2)cc1 ZINC000097037962 569402952 /nfs/dbraw/zinc/40/29/52/569402952.db2.gz JTMZCAUSJFKORU-UHFFFAOYSA-N 1 1 436.556 2.380 50 0 IEAAMO C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)c1ccc2c(c1)NC(=O)[C@@H](N1CCOCC1)S2 ZINC000002941211 569426629 /nfs/dbraw/zinc/42/66/29/569426629.db2.gz GVIGSQSTLMALRN-DMPWYTOCSA-N 1 1 432.590 2.382 50 0 IEAAMO O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000003407677 569449983 /nfs/dbraw/zinc/44/99/83/569449983.db2.gz XZMBCHYDSYWRQB-FQEVSTJZSA-N 1 1 447.557 2.258 50 0 IEAAMO COc1ccc(CCC(=O)N[C@H]2C3CN4CC2(c2ccccc2)C[N@@H+](C3)CC4)cc1OC ZINC000670442934 569450971 /nfs/dbraw/zinc/45/09/71/569450971.db2.gz WOCIVFDZSVRPRO-FQKSQLJCSA-N 1 1 435.568 2.320 50 0 IEAAMO COc1cc2ncn(CCC(=O)N3CC[NH+](Cc4ccccc4)CC3)c(=O)c2cc1OC ZINC000031808974 569457638 /nfs/dbraw/zinc/45/76/38/569457638.db2.gz WXYUTSQZAJRKPV-UHFFFAOYSA-N 1 1 436.512 2.148 50 0 IEAAMO CCOc1c(Cl)cc(C(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)cc1OC ZINC000032333419 569461321 /nfs/dbraw/zinc/46/13/21/569461321.db2.gz HKINFJUPUFREJD-UHFFFAOYSA-N 1 1 433.940 2.479 50 0 IEAAMO CCOC(=O)C1=C(C[NH+]2CCCCC2)NC(=O)N[C@H]1c1ccc(OC)c(OC)c1OC ZINC000067286444 569466976 /nfs/dbraw/zinc/46/69/76/569466976.db2.gz UNLQHNIOQDIUDR-SFHVURJKSA-N 1 1 433.505 2.369 50 0 IEAAMO CCOCCN1[NH+]=C(C)[C@H](C)n2c1nc1c2c(=O)n(Cc2cc(C)ccc2C)c(=O)n1C ZINC000008706135 569470488 /nfs/dbraw/zinc/47/04/88/569470488.db2.gz QKDIFVNPTGHNAA-KRWDZBQOSA-N 1 1 438.532 2.355 50 0 IEAAMO COCCN1[NH+]=C(C)[C@@H](C)n2c1nc1c2c(=O)n(Cc2ccc(Cl)cc2)c(=O)n1C ZINC000008725037 569472060 /nfs/dbraw/zinc/47/20/60/569472060.db2.gz ZXDJKRVQROGVRR-CYBMUJFWSA-N 1 1 430.896 2.002 50 0 IEAAMO CN(CC(=O)N1CCCC1)CC(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000008923114 569486964 /nfs/dbraw/zinc/48/69/64/569486964.db2.gz HVRFYFFHZNNFEL-UHFFFAOYSA-N 1 1 434.584 2.474 50 0 IEAAMO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)C1=CN2CCS(=O)(=O)N=C2C=C1 ZINC000040112372 569488958 /nfs/dbraw/zinc/48/89/58/569488958.db2.gz LVBNCGQZPWWRLZ-QGZVFWFLSA-N 1 1 428.558 2.175 50 0 IEAAMO Cc1cccc(NC(=O)[C@@H]2CCC[N@H+](CC(=O)NC(=O)NCCc3cccs3)C2)n1 ZINC000040149584 569492513 /nfs/dbraw/zinc/49/25/13/569492513.db2.gz NFGGVMUIEYQGMY-MRXNPFEDSA-N 1 1 429.546 2.171 50 0 IEAAMO Cc1cccc(NC(=O)[C@@H]2CCC[N@@H+](CC(=O)NC(=O)NCCc3cccs3)C2)n1 ZINC000040149584 569492514 /nfs/dbraw/zinc/49/25/14/569492514.db2.gz NFGGVMUIEYQGMY-MRXNPFEDSA-N 1 1 429.546 2.171 50 0 IEAAMO Cc1csc(NC(=O)C2CC[NH+]([C@@H](C)C(=O)Nc3ccc4[nH]c(=O)[nH]c4c3)CC2)n1 ZINC000040149652 569492533 /nfs/dbraw/zinc/49/25/33/569492533.db2.gz CFGLAEWNQIUNIF-LBPRGKRZSA-N 1 1 428.518 2.299 50 0 IEAAMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)c1ccc(CN2CC(=O)N3CCC[C@H]3C2=O)cc1 ZINC000245258176 569501649 /nfs/dbraw/zinc/50/16/49/569501649.db2.gz MOYNJDKDFNMWNM-VXKWHMMOSA-N 1 1 440.588 2.404 50 0 IEAAMO O=C(C1CN(S(=O)(=O)C2CC2)C1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000070818155 569558433 /nfs/dbraw/zinc/55/84/33/569558433.db2.gz UGIVNMXUNQXFLT-UHFFFAOYSA-N 1 1 439.581 2.344 50 0 IEAAMO O=C(N[C@H]1CC[N@@H+](Cc2ccccc2)C1)C1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000010030390 569577300 /nfs/dbraw/zinc/57/73/00/569577300.db2.gz VGZJYOBCBFYMSR-NRFANRHFSA-N 1 1 427.570 2.478 50 0 IEAAMO Cc1[nH+]ccn1-c1ccc(N2CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)CC2)nn1 ZINC000077197081 569586143 /nfs/dbraw/zinc/58/61/43/569586143.db2.gz HTMRIJHPZQDMMI-UHFFFAOYSA-N 1 1 436.900 2.274 50 0 IEAAMO COc1ccccc1N1CCN(C(=O)C[N@H+](C)Cc2ccccc2N2CCOCC2)CC1 ZINC000010056893 132334304 /nfs/dbraw/zinc/33/43/04/132334304.db2.gz VUPCQMIKRTWOGE-UHFFFAOYSA-N 1 1 438.572 2.312 50 0 IEAAMO COc1ccccc1N1CCN(C(=O)C[N@@H+](C)Cc2ccccc2N2CCOCC2)CC1 ZINC000010056893 132334306 /nfs/dbraw/zinc/33/43/06/132334306.db2.gz VUPCQMIKRTWOGE-UHFFFAOYSA-N 1 1 438.572 2.312 50 0 IEAAMO CC(=O)c1ccc(N2CCN(CC(=O)N3CC[NH+](Cc4ccccc4)CC3)CC2)c(F)c1 ZINC000012606383 518348837 /nfs/dbraw/zinc/34/88/37/518348837.db2.gz RPZFTTRAJXMTSL-UHFFFAOYSA-N 1 1 438.547 2.495 50 0 IEAAMO CC(C)N1C(=O)NC(=O)[C@@]2(Cc3ccccc3N3CC[N@@H+](Cc4ccccc4)C[C@@H]32)C1=O ZINC000020567653 519667906 /nfs/dbraw/zinc/66/79/06/519667906.db2.gz ZJFYNNZOLAKHQD-BWKNWUBXSA-N 1 1 432.524 2.407 50 0 IEAAMO CC(C)[C@@H](NS(C)(=O)=O)c1nnc2n1CC[N@H+](Cc1cccc3cccnc31)CC2 ZINC000020455230 519799608 /nfs/dbraw/zinc/79/96/08/519799608.db2.gz GREKQHBTQBTBOQ-LJQANCHMSA-N 1 1 428.562 2.131 50 0 IEAAMO CCC[NH+]1CCN(C(=O)c2ccc(OC3CCN(S(C)(=O)=O)CC3)c(Cl)c2)CC1 ZINC000012297942 519856915 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IJIPKGFSVVXZKT-ROUUACIJSA-N 1 1 449.979 2.410 50 0 IEAAMO COc1ccc(N2C(=O)N[C@H](CC(=O)N(C)C[C@@H]3CCC[N@H+]4CCCC[C@@H]34)C2=O)cc1 ZINC000409415309 556641638 /nfs/dbraw/zinc/64/16/38/556641638.db2.gz ZVEQVYGYCGORPG-DBVUQKKJSA-N 1 1 428.533 2.233 50 0 IEAAMO COc1ccc(CN2C(=O)N[C@H](CC(=O)N(C)C[C@@H]3CCC[N@H+]4CCCC[C@H]34)C2=O)cc1 ZINC000409415283 556641728 /nfs/dbraw/zinc/64/17/28/556641728.db2.gz ZAIMGDOCCDXKAV-CEWLAPEOSA-N 1 1 442.560 2.229 50 0 IEAAMO CCCc1nnc(C(=O)Nc2ccc(C(=O)NCCC[NH+]3CCN(C)CC3)cc2)s1 ZINC000033011191 556659156 /nfs/dbraw/zinc/65/91/56/556659156.db2.gz KLIHJNPTLRFJTQ-UHFFFAOYSA-N 1 1 430.578 2.110 50 0 IEAAMO Cc1ccc(NC(=O)c2nnc(SCC(=O)NCCC[NH+]3CCOCC3)s2)cc1 ZINC000033011731 556659577 /nfs/dbraw/zinc/65/95/77/556659577.db2.gz WUPADMOZPFDUBH-UHFFFAOYSA-N 1 1 435.575 2.029 50 0 IEAAMO C[C@@H](C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1)[N@@H+]1CCC[C@H]1c1cccn1C ZINC000248114243 556665500 /nfs/dbraw/zinc/66/55/00/556665500.db2.gz IFYNUWLKWRCIKD-UWJYYQICSA-N 1 1 446.573 2.210 50 0 IEAAMO C[C@@H](C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1)[N@H+]1CCC[C@H]1c1cccn1C ZINC000248114243 556665505 /nfs/dbraw/zinc/66/55/05/556665505.db2.gz IFYNUWLKWRCIKD-UWJYYQICSA-N 1 1 446.573 2.210 50 0 IEAAMO C[NH+](C)[C@H](CNC(=O)c1cccc(N2C(=O)CCS2(=O)=O)c1)c1ccccc1Cl ZINC000011998233 556679273 /nfs/dbraw/zinc/67/92/73/556679273.db2.gz NPQQSGOXNJSJLB-GOSISDBHSA-N 1 1 435.933 2.439 50 0 IEAAMO CC(C)Cc1nnc(C(=O)Nc2cccc(C(=O)NCCC[NH+]3CCOCC3)c2)s1 ZINC000033022860 556688414 /nfs/dbraw/zinc/68/84/14/556688414.db2.gz BNKOGBGQISKILV-UHFFFAOYSA-N 1 1 431.562 2.441 50 0 IEAAMO CC(C)CCN(CCS(=O)(=O)N1CC[NH2+]CC1)C(=O)c1ccc(Br)cc1 ZINC000046140852 556691780 /nfs/dbraw/zinc/69/17/80/556691780.db2.gz RTWHOOKUWNXPML-UHFFFAOYSA-N 1 1 446.411 2.172 50 0 IEAAMO CC(C)(C)/C=C/C(=O)NCC[NH+](CCNC(=O)/C=C/C(C)(C)C)CCN1CCOCC1 ZINC000072313754 556694586 /nfs/dbraw/zinc/69/45/86/556694586.db2.gz AHMPBTQZHAZFGB-FIFLTTCUSA-N 1 1 436.641 2.058 50 0 IEAAMO Cc1oc2c(c1C(=O)N(C)CC(=O)N1CC[NH+](C)CC1)CN(Cc1ccc(F)cc1)CC2 ZINC000065291978 556706850 /nfs/dbraw/zinc/70/68/50/556706850.db2.gz RCWQWCZONAHSOB-UHFFFAOYSA-N 1 1 442.535 2.131 50 0 IEAAMO COc1ccc(OC)c(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2CCC[N@H+]2[C@]32c3cc(C)ccc3NC2=O)c1 ZINC000061997595 556763689 /nfs/dbraw/zinc/76/36/89/556763689.db2.gz AOUQYLDAJCKKPI-DNBVQBCISA-N 1 1 447.491 2.443 50 0 biogenic IEAAMO CC(=O)N1CCc2cc(C(=O)NCCC[NH+]3CCN(C(=O)OC(C)(C)C)CC3)ccc21 ZINC000059022094 556794375 /nfs/dbraw/zinc/79/43/75/556794375.db2.gz RSNAIFHYRAZCHE-UHFFFAOYSA-N 1 1 430.549 2.268 50 0 IEAAMO CC(=O)N1CCC([N@H+]2CCC[C@H](N3CCN(Cc4ccc5c(c4)OCO5)CC3)C2)CC1 ZINC000019607143 556831430 /nfs/dbraw/zinc/83/14/30/556831430.db2.gz AYPCYGBBBDAXDM-QFIPXVFZSA-N 1 1 428.577 2.008 50 0 IEAAMO CCOc1ccc(N(Cc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)S(C)(=O)=O)cc1 ZINC000067622427 556845016 /nfs/dbraw/zinc/84/50/16/556845016.db2.gz OQFAXVMYKFFMHI-UHFFFAOYSA-N 1 1 431.558 2.439 50 0 IEAAMO COc1ncccc1C(=O)N1CCC[C@H]([NH+]2CCN(Cc3ccc4c(c3)OCO4)CC2)C1 ZINC000019720495 556876077 /nfs/dbraw/zinc/87/60/77/556876077.db2.gz LIKGZLIONPCYEJ-IBGZPJMESA-N 1 1 438.528 2.241 50 0 IEAAMO C[N@@H+](Cc1ccccc1)C1(CNC(=O)Cc2cnc3ncnn3c2)Cc2ccccc2C1 ZINC000019770770 556912761 /nfs/dbraw/zinc/91/27/61/556912761.db2.gz YZGQZWGEWZENJU-UHFFFAOYSA-N 1 1 426.524 2.453 50 0 IEAAMO Cc1cc(C)n(CC(=O)N2CCC[C@@H]([NH+]3CCN(Cc4ccc5c(c4)OCO5)CC3)C2)n1 ZINC000019782236 556913596 /nfs/dbraw/zinc/91/35/96/556913596.db2.gz XMKPHNDVIKMJRB-OAQYLSRUSA-N 1 1 439.560 2.037 50 0 IEAAMO COc1ccc(C[N@@H+]2CCc3nnc([C@@H](NS(C)(=O)=O)C(C)C)n3CC2)c(C)c1C ZINC000019799575 556917319 /nfs/dbraw/zinc/91/73/19/556917319.db2.gz YEILMPNXRJICJV-FQEVSTJZSA-N 1 1 435.594 2.208 50 0 IEAAMO CCOc1ccc(N(CC(=O)N2CC[NH+](C)CC2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000019812377 556919507 /nfs/dbraw/zinc/91/95/07/556919507.db2.gz OROSFCYAUNCVHZ-UHFFFAOYSA-N 1 1 431.558 2.363 50 0 IEAAMO O=c1c2c3n(c(=O)n1-c1ccccc1)CCN3[C@H](c1ccccc1)C[C@H]2[NH+]1CCOCC1 ZINC000019899082 556941469 /nfs/dbraw/zinc/94/14/69/556941469.db2.gz DOPLUWKEEBHWRZ-LEWJYISDSA-N 1 1 430.508 2.338 50 0 IEAAMO CCOc1ccc(S(=O)(=O)N(CC(=O)N2CC[NH+](C)CC2)c2ccc(C)cc2)cc1 ZINC000019905423 556942652 /nfs/dbraw/zinc/94/26/52/556942652.db2.gz FHHGYPQEWZZXGC-UHFFFAOYSA-N 1 1 431.558 2.363 50 0 IEAAMO CCOc1ccc(N(CC(=O)N2CC[NH+](Cc3ccccc3)CC2)S(C)(=O)=O)cc1 ZINC000019913218 556943689 /nfs/dbraw/zinc/94/36/89/556943689.db2.gz KJNDLPSXLZUYTJ-UHFFFAOYSA-N 1 1 431.558 2.196 50 0 IEAAMO COc1ccc(C)cc1S(=O)(=O)N(CCc1ccccc1)CC(=O)N1CC[NH+](C)CC1 ZINC000019928992 556946852 /nfs/dbraw/zinc/94/68/52/556946852.db2.gz NXPVRQBQEIYFDN-UHFFFAOYSA-N 1 1 445.585 2.011 50 0 IEAAMO CCCNS(=O)(=O)c1ccc(OCC(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000020102938 556980759 /nfs/dbraw/zinc/98/07/59/556980759.db2.gz SYNNRXXAUPGXKJ-UHFFFAOYSA-N 1 1 431.558 2.098 50 0 IEAAMO COC(=O)CCCCCS(=O)(=O)NCCC[NH+]1CCN(c2cccc(C)c2)CC1 ZINC000097166195 556995065 /nfs/dbraw/zinc/99/50/65/556995065.db2.gz DZXLNIJIBKWPTF-UHFFFAOYSA-N 1 1 425.595 2.160 50 0 IEAAMO COc1ccc(C)cc1S(=O)(=O)NCCNc1cc(-n2nc(C)cc2C)nc(C)[nH+]1 ZINC000023144545 557026308 /nfs/dbraw/zinc/02/63/08/557026308.db2.gz IVUAYONVCIOHCE-UHFFFAOYSA-N 1 1 430.534 2.295 50 0 IEAAMO COc1ccccc1N1C[C@@H](C(=O)N2CC[NH+](CCCOCC(F)(F)F)CC2)CC1=O ZINC000048308718 557059559 /nfs/dbraw/zinc/05/95/59/557059559.db2.gz PMZRTHOESVVSSC-INIZCTEOSA-N 1 1 443.466 2.161 50 0 IEAAMO Cc1nonc1C(=O)N1CCC[C@H](CCC(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000023338855 557085074 /nfs/dbraw/zinc/08/50/74/557085074.db2.gz FZQANGTWYGLRBG-HXUWFJFHSA-N 1 1 425.533 2.355 50 0 IEAAMO COc1ccc(CNC(=O)Cn2cnc3c(c2=O)C[N@@H+](Cc2ccc(C)cc2)CC3)cc1 ZINC000049400911 557096626 /nfs/dbraw/zinc/09/66/26/557096626.db2.gz WREUPXTUBLEQBB-UHFFFAOYSA-N 1 1 432.524 2.435 50 0 IEAAMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)CN2CCN(c3cccc(C(F)(F)F)c3)CC2)C1 ZINC000023701501 557107613 /nfs/dbraw/zinc/10/76/13/557107613.db2.gz LVHLOSRHKACKAG-HXUWFJFHSA-N 1 1 442.526 2.300 50 0 IEAAMO CCN(CCNC(=O)C[N@H+](C)[C@@H](C)c1ccc(S(N)(=O)=O)cc1)c1cccc(C)c1 ZINC000049574835 557113849 /nfs/dbraw/zinc/11/38/49/557113849.db2.gz QOBOHVYKSQTVCK-SFHVURJKSA-N 1 1 432.590 2.278 50 0 IEAAMO CCN(CCNC(=O)C[N@@H+](C)[C@@H](C)c1ccc(S(N)(=O)=O)cc1)c1cccc(C)c1 ZINC000049574835 557113851 /nfs/dbraw/zinc/11/38/51/557113851.db2.gz QOBOHVYKSQTVCK-SFHVURJKSA-N 1 1 432.590 2.278 50 0 IEAAMO CCOc1ccc(CCNC(=O)C[NH2+][C@H](C)c2cccc(S(N)(=O)=O)c2)cc1OCC ZINC000049604851 557115193 /nfs/dbraw/zinc/11/51/93/557115193.db2.gz UIRREUZMJVHLRU-MRXNPFEDSA-N 1 1 449.573 2.141 50 0 IEAAMO CCC(CC)[C@H](CNC(=O)c1ccc2c(c1)CCCN2S(C)(=O)=O)[NH+]1CCOCC1 ZINC000024836877 557166493 /nfs/dbraw/zinc/16/64/93/557166493.db2.gz DRJYKDRMGWSRDV-NRFANRHFSA-N 1 1 437.606 2.266 50 0 IEAAMO COC(=O)[C@@H](C[NH+]1CCN(c2ccccc2C)CC1)[C@](O)(c1nccn1C)C(F)(F)F ZINC000024927182 557180150 /nfs/dbraw/zinc/18/01/50/557180150.db2.gz MLSOSWMSBLFINV-UZLBHIALSA-N 1 1 440.466 2.090 50 0 IEAAMO COC(=O)C[C@@H](c1ccc2c(c1)OCCO2)c1c(O)cc(C)n(CCc2cnc[nH]2)c1=O ZINC000604404036 557246538 /nfs/dbraw/zinc/24/65/38/557246538.db2.gz IPBYUCOBJAUQQC-KRWDZBQOSA-N 1 1 439.468 2.294 50 0 biogenic IEAAMO COC(=O)C[C@H](c1ccc2c(c1)OCCO2)c1c(O)cc(C)n(CCc2cnc[nH]2)c1=O ZINC000604404037 557246662 /nfs/dbraw/zinc/24/66/62/557246662.db2.gz IPBYUCOBJAUQQC-QGZVFWFLSA-N 1 1 439.468 2.294 50 0 biogenic IEAAMO CCn1c2ccc(S(=O)(=O)N(C)C)cc2nc1C[N@H+](CCC(N)=O)Cc1ccccc1 ZINC000027547777 557265131 /nfs/dbraw/zinc/26/51/31/557265131.db2.gz GUWNVXUJALUMQU-UHFFFAOYSA-N 1 1 443.573 2.184 50 0 IEAAMO CCn1c2ccc(S(=O)(=O)N(C)C)cc2nc1C[N@@H+](CCC(N)=O)Cc1ccccc1 ZINC000027547777 557265136 /nfs/dbraw/zinc/26/51/36/557265136.db2.gz GUWNVXUJALUMQU-UHFFFAOYSA-N 1 1 443.573 2.184 50 0 IEAAMO NS(=O)(=O)c1ccc(NC(=O)C[N@@H+](Cc2ccc3c(c2)OCO3)C2CCCC2)cc1 ZINC000027574167 557266084 /nfs/dbraw/zinc/26/60/84/557266084.db2.gz FRCGTLKTERJUBS-UHFFFAOYSA-N 1 1 431.514 2.446 50 0 IEAAMO CCOC(=O)CCc1c(C)nc2ncnn2c1N1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000023325885 557309420 /nfs/dbraw/zinc/30/94/20/557309420.db2.gz SPJNJIVGCCELKO-UHFFFAOYSA-N 1 1 426.496 2.390 50 0 IEAAMO Cc1ccc(NC(=O)C[N@@H+]2CC[C@H]2Cc2ccccc2)cc1S(=O)(=O)N1CCOCC1 ZINC000072311985 557333304 /nfs/dbraw/zinc/33/33/04/557333304.db2.gz WWEKGNCNCJCKJB-NRFANRHFSA-N 1 1 443.569 2.271 50 0 IEAAMO Cc1ccc(NC(=O)C[N@H+]2CC[C@H]2Cc2ccccc2)cc1S(=O)(=O)N1CCOCC1 ZINC000072311985 557333309 /nfs/dbraw/zinc/33/33/09/557333309.db2.gz WWEKGNCNCJCKJB-NRFANRHFSA-N 1 1 443.569 2.271 50 0 IEAAMO COc1ccc(S(=O)(=O)N2CCC(C(=O)NC[C@H]3CCC[N@H+]4CCCC[C@@H]34)CC2)cc1 ZINC000229715298 557833065 /nfs/dbraw/zinc/83/30/65/557833065.db2.gz QZJLAZRTFVNMFE-KNQAVFIVSA-N 1 1 449.617 2.477 50 0 IEAAMO CCOc1ccccc1N1C(=O)NC(=O)[C@@]2(Cc3ccccc3N3CC[N@H+](C)C[C@H]32)C1=O ZINC000229900695 557833540 /nfs/dbraw/zinc/83/35/40/557833540.db2.gz RJACSUWJZCCQGC-RDPSFJRHSA-N 1 1 434.496 2.031 50 0 IEAAMO CCOc1ccccc1N1C(=O)NC(=O)[C@@]2(Cc3ccccc3N3CC[N@@H+](C)C[C@H]32)C1=O ZINC000229900695 557833543 /nfs/dbraw/zinc/83/35/43/557833543.db2.gz RJACSUWJZCCQGC-RDPSFJRHSA-N 1 1 434.496 2.031 50 0 IEAAMO CSCC[C@@H](NS(=O)(=O)c1ccccc1F)C(=O)NC[C@@H](c1ccco1)[NH+](C)C ZINC000003344773 562934543 /nfs/dbraw/zinc/93/45/43/562934543.db2.gz WGYYMJYMPHFQOW-CVEARBPZSA-N 1 1 443.566 2.238 50 0 IEAAMO CC[C@@H]1C[N@@H+](CCC(=O)N2CCN(c3ncccn3)CC2)Cc2cc(OC)ccc2O1 ZINC000011995532 562980136 /nfs/dbraw/zinc/98/01/36/562980136.db2.gz DFZMQSNZVDWIEM-LJQANCHMSA-N 1 1 425.533 2.197 50 0 IEAAMO COc1ccc(/C=C(\NC(=O)c2ccc(OC)c(OC)c2)C(=O)N2CC[NH+](C)CC2)cc1 ZINC000013371579 562985811 /nfs/dbraw/zinc/98/58/11/562985811.db2.gz NCRWYHUJZYACMP-HKWRFOASSA-N 1 1 439.512 2.257 50 0 IEAAMO Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)NCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000013521958 562991332 /nfs/dbraw/zinc/99/13/32/562991332.db2.gz KUWQDYQQBVEYSM-IYBDPMFKSA-N 1 1 440.610 2.176 50 0 IEAAMO COC(=O)c1cn([C@H]2C[C@@H](C(=O)NCc3ccco3)[N@H+](Cc3ccc(C)cc3C)C2)nn1 ZINC000299756610 568755400 /nfs/dbraw/zinc/75/54/00/568755400.db2.gz FMPZDPRCNBFNPQ-RXVVDRJESA-N 1 1 437.500 2.407 50 0 IEAAMO COC(=O)c1cn([C@H]2C[C@@H](C(=O)NCc3ccco3)[N@@H+](Cc3ccc(C)cc3C)C2)nn1 ZINC000299756610 568755402 /nfs/dbraw/zinc/75/54/02/568755402.db2.gz FMPZDPRCNBFNPQ-RXVVDRJESA-N 1 1 437.500 2.407 50 0 IEAAMO COc1cccc([C@]2(CC(=O)N3CC[NH+](Cc4cccc(C)c4)CC3)CC(=O)N(C)C2=O)c1 ZINC000299794200 568757662 /nfs/dbraw/zinc/75/76/62/568757662.db2.gz JDEASEYIDOBLLP-AREMUKBSSA-N 1 1 449.551 2.365 50 0 IEAAMO O=C(C[N@H+]1CC=C(c2ccccc2)CC1)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000015412429 568761919 /nfs/dbraw/zinc/76/19/19/568761919.db2.gz MYVPTNUWQSXIHM-UHFFFAOYSA-N 1 1 439.581 2.450 50 0 IEAAMO O=C(C[N@@H+]1CC=C(c2ccccc2)CC1)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000015412429 568761922 /nfs/dbraw/zinc/76/19/22/568761922.db2.gz MYVPTNUWQSXIHM-UHFFFAOYSA-N 1 1 439.581 2.450 50 0 IEAAMO O=C(NCCC[NH+]1CCN(Cc2ccccc2)CC1)c1cccc(CN2CCOCC2)c1 ZINC000084536075 568798538 /nfs/dbraw/zinc/79/85/38/568798538.db2.gz YNOVPENEWRAIDD-UHFFFAOYSA-N 1 1 436.600 2.457 50 0 IEAAMO CCCC[N@@H+](CC)Cc1cccc(CNS(=O)(=O)c2ccc(S(N)(=O)=O)cc2)c1 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ZINC000014733653 556437857 /nfs/dbraw/zinc/43/78/57/556437857.db2.gz PRNQMJYHRHSICH-UHFFFAOYSA-N 1 1 447.539 2.322 50 0 IEAAMO COc1cccc(C[N@@H+]2CCc3nnc([C@H](C)NC(=O)c4cccnc4)n3CC2)c1OC ZINC000014882708 556454480 /nfs/dbraw/zinc/45/44/80/556454480.db2.gz GMPAOGHCQJWVEQ-INIZCTEOSA-N 1 1 436.516 2.240 50 0 IEAAMO CCOc1cc(C[N@@H+]2CCc3nnc(CNC(=O)c4ccccn4)n3CC2)ccc1OC ZINC000014959404 556463420 /nfs/dbraw/zinc/46/34/20/556463420.db2.gz HAAMMFKGEBUBJU-UHFFFAOYSA-N 1 1 436.516 2.069 50 0 IEAAMO CCn1c(=O)c2ccccc2n(CC(=O)NC[C@@H](c2ccccc2Cl)[NH+](C)C)c1=O ZINC000029049934 556466055 /nfs/dbraw/zinc/46/60/55/556466055.db2.gz GSRRTSIXRCEVIZ-IBGZPJMESA-N 1 1 428.920 2.256 50 0 IEAAMO COc1ccc(C(=O)NCCc2nnc3n2CC[N@H+](Cc2cccc(OC)c2)CC3)cc1 ZINC000014967497 556466083 /nfs/dbraw/zinc/46/60/83/556466083.db2.gz ZXZMVWMTQCAGOK-UHFFFAOYSA-N 1 1 435.528 2.326 50 0 IEAAMO C[C@H]1C[N@@H+](CCC(=O)N2CCC[C@@H](C(=O)N3CCOCC3)C2)Cc2cc(Cl)ccc2O1 ZINC000014992635 556475818 /nfs/dbraw/zinc/47/58/18/556475818.db2.gz IJIPKGFSVVXZKT-ZWKOTPCHSA-N 1 1 449.979 2.410 50 0 IEAAMO O=C(NCc1cnc(-c2ccccc2)s1)[C@@H]1CCC(=O)N(CCC[NH+]2CCOCC2)C1 ZINC000015063192 556490885 /nfs/dbraw/zinc/49/08/85/556490885.db2.gz IHTXABKSHDXXNA-LJQANCHMSA-N 1 1 442.585 2.387 50 0 IEAAMO C[C@H](C(=O)NCCC[NH+]1CCN(C)CC1)C1CCN(C(=O)c2cc3ccccc3[nH]2)CC1 ZINC000022938618 556581503 /nfs/dbraw/zinc/58/15/03/556581503.db2.gz WKSAEULKUMFDRS-IBGZPJMESA-N 1 1 439.604 2.410 50 0 IEAAMO Cc1ccc(NC(=O)c2nnc(CSCC(=O)NCCC[NH+]3CCOCC3)s2)cc1 ZINC000032987068 556606949 /nfs/dbraw/zinc/60/69/49/556606949.db2.gz SWUWTSOENWQZKZ-UHFFFAOYSA-N 1 1 449.602 2.171 50 0 IEAAMO CCOc1ccc(N2CN(CCC[NH+]3CCOCC3)Cn3c(=O)c(C)c(C)nc32)cc1 ZINC000038829992 556621319 /nfs/dbraw/zinc/62/13/19/556621319.db2.gz FKUMXVDXUFTYMW-UHFFFAOYSA-N 1 1 427.549 2.350 50 0 IEAAMO CCOC(=O)[C@H]1CCC[N@H+]([C@@H]2CCC(=O)N(CCS(=O)(=O)c3ccccc3)CC2)C1 ZINC000039388018 556628316 /nfs/dbraw/zinc/62/83/16/556628316.db2.gz AMOXJQXBZDQKEW-RBUKOAKNSA-N 1 1 436.574 2.117 50 0 IEAAMO COc1ccc(CN2C(=O)N[C@H](CC(=O)N(C)C[C@H]3CCC[N@H+]4CCCC[C@@H]34)C2=O)cc1 ZINC000409415285 556641582 /nfs/dbraw/zinc/64/15/82/556641582.db2.gz ZAIMGDOCCDXKAV-NRSPTQNISA-N 1 1 442.560 2.229 50 0 IEAAMO COc1ccc(N2C(=O)N[C@H](CC(=O)N(C)C[C@H]3CCC[N@H+]4CCCC[C@H]34)C2=O)cc1 ZINC000409415310 556641999 /nfs/dbraw/zinc/64/19/99/556641999.db2.gz ZVEQVYGYCGORPG-NSISKUIASA-N 1 1 428.533 2.233 50 0 IEAAMO CN1CC[NH+](CCCNC(=O)c2cccc(NC(=O)c3nnc(C4CC4)s3)c2)CC1 ZINC000033023030 556691164 /nfs/dbraw/zinc/69/11/64/556691164.db2.gz IAYFVYPZLQXISR-UHFFFAOYSA-N 1 1 428.562 2.035 50 0 IEAAMO O=C(c1ccc(Br)cc1)N(CCS(=O)(=O)N1CC[NH2+]CC1)C1CCCC1 ZINC000046140797 556691378 /nfs/dbraw/zinc/69/13/78/556691378.db2.gz CTDVYIZMFIWWAY-UHFFFAOYSA-N 1 1 444.395 2.069 50 0 IEAAMO COc1ccc(C(=O)N(CCCc2ccccc2)CCS(=O)(=O)N2CC[NH2+]CC2)cc1 ZINC000046141016 556692284 /nfs/dbraw/zinc/69/22/84/556692284.db2.gz FIRFKGLNBQHEIO-UHFFFAOYSA-N 1 1 445.585 2.005 50 0 IEAAMO COc1ccc(S(=O)(=O)[C@@H]2CS(=O)(=O)C[C@H]2[NH2+]CCC2=CCCCC2)cc1C ZINC000055408889 556741181 /nfs/dbraw/zinc/74/11/81/556741181.db2.gz OSODTAPHAZEJCF-UYAOXDASSA-N 1 1 427.588 2.423 50 0 IEAAMO O=C(Nc1ccc(N2CCOCC2)cc1)[C@@H]1CCC[N@H+](Cc2nc(-c3ncccn3)no2)C1 ZINC000062022919 556766389 /nfs/dbraw/zinc/76/63/89/556766389.db2.gz XEIVCAHZXKUDMM-QGZVFWFLSA-N 1 1 449.515 2.214 50 0 IEAAMO O=C(Nc1ccc(N2CCOCC2)cc1)[C@@H]1CCC[N@@H+](Cc2nc(-c3ncccn3)no2)C1 ZINC000062022919 556766390 /nfs/dbraw/zinc/76/63/90/556766390.db2.gz XEIVCAHZXKUDMM-QGZVFWFLSA-N 1 1 449.515 2.214 50 0 IEAAMO COc1cc(C)c(S(=O)(=O)N2CCN(c3cc(-n4cc[nH+]c4C)ncn3)CC2)cc1C ZINC000067604922 556844112 /nfs/dbraw/zinc/84/41/12/556844112.db2.gz GXSRKANILGJANX-UHFFFAOYSA-N 1 1 442.545 2.107 50 0 IEAAMO CCn1c(=O)c(N2CCC(C(=O)NCCC[N@H+]3CCC[C@H](C)C3)CC2)nc2cccnc21 ZINC000033258973 556896840 /nfs/dbraw/zinc/89/68/40/556896840.db2.gz XQNNXHJTLHAURA-SFHVURJKSA-N 1 1 440.592 2.266 50 0 IEAAMO COc1ccccc1N1CCN(C(=O)CC2(CC(=O)N3CC[NH+](C)CC3)CCCC2)CC1 ZINC000019849922 556930610 /nfs/dbraw/zinc/93/06/10/556930610.db2.gz QXSRECBJQFSCIG-UHFFFAOYSA-N 1 1 442.604 2.458 50 0 IEAAMO COC[C@@H](C)OC(=O)c1c(N)n(CCC[NH+]2CCOCC2)c2nc3ccccc3nc21 ZINC000019892017 556939460 /nfs/dbraw/zinc/93/94/60/556939460.db2.gz OPSWFIMEUZGJNO-OAHLLOKOSA-N 1 1 427.505 2.081 50 0 IEAAMO O=C(CSc1nc2ccccc2c(=O)n1-c1ccccc1)NCCC[NH+]1CCOCC1 ZINC000019911472 556943396 /nfs/dbraw/zinc/94/33/96/556943396.db2.gz IBLCRYKDYQXDRS-UHFFFAOYSA-N 1 1 438.553 2.316 50 0 IEAAMO COc1ccc(Cl)cc1N(CC(=O)N1CC[NH+](C)CC1)S(=O)(=O)c1ccccc1 ZINC000019913235 556943568 /nfs/dbraw/zinc/94/35/68/556943568.db2.gz GXEYYDDDQFJDJX-UHFFFAOYSA-N 1 1 437.949 2.318 50 0 IEAAMO Cc1ccc(S(=O)(=O)N(CC(=O)NCCC[NH+]2CCOCC2)c2ccccc2)cc1 ZINC000019943113 556953928 /nfs/dbraw/zinc/95/39/28/556953928.db2.gz ZBRKPWJCIOVBRZ-UHFFFAOYSA-N 1 1 431.558 2.029 50 0 IEAAMO Cc1ncn(-c2cc(N3CCN(S(=O)(=O)c4cccc(C)c4)CC3)[nH+]c(C)n2)c1C ZINC000072446906 556973467 /nfs/dbraw/zinc/97/34/67/556973467.db2.gz WETQNZSBDDNXKO-UHFFFAOYSA-N 1 1 426.546 2.407 50 0 IEAAMO Cc1cc(O)c([C@H](c2cccnc2)N2CC[NH+](CCO)CC2)c(=O)n1Cc1ccccc1 ZINC000023086448 556997433 /nfs/dbraw/zinc/99/74/33/556997433.db2.gz AMLSIAOCQFEDTB-DEOSSOPVSA-N 1 1 434.540 2.005 50 0 IEAAMO CC(C)Cn1c(CN(C)CC[NH+]2CCCCC2)cnc1S(=O)(=O)C[C@@H]1CCCO1 ZINC000020203737 556997990 /nfs/dbraw/zinc/99/79/90/556997990.db2.gz IEALRDWLFNYVQJ-FQEVSTJZSA-N 1 1 426.627 2.410 50 0 IEAAMO COc1ccc(N2C[C@@H](C(=O)N3CC[NH+](CCc4ccncc4)CC3)CC2=O)cc1Cl ZINC000020426985 557015700 /nfs/dbraw/zinc/01/57/00/557015700.db2.gz JJHJEHIGOAICME-SFHVURJKSA-N 1 1 442.947 2.483 50 0 IEAAMO CCOc1cc(C[N@@H+]2CCc3nnc(CCNC(=O)c4ccoc4)n3CC2)ccc1OC ZINC000023130028 557066832 /nfs/dbraw/zinc/06/68/32/557066832.db2.gz NKJQMBCNWFZMCX-UHFFFAOYSA-N 1 1 439.516 2.309 50 0 IEAAMO Cc1cc(NC(=O)CN2CCC[N@H+](CC(=O)NC(C)(C)C)CC2)n(-c2ccccc2)n1 ZINC000023247968 557078046 /nfs/dbraw/zinc/07/80/46/557078046.db2.gz UVWKPSHTGUUJCJ-UHFFFAOYSA-N 1 1 426.565 2.042 50 0 IEAAMO Cc1cc(NC(=O)CN2CCC[N@@H+](CC(=O)NC(C)(C)C)CC2)n(-c2ccccc2)n1 ZINC000023247968 557078051 /nfs/dbraw/zinc/07/80/51/557078051.db2.gz UVWKPSHTGUUJCJ-UHFFFAOYSA-N 1 1 426.565 2.042 50 0 IEAAMO COc1ccc(C[N@@H+]2C[C@@H](CN3CCN(C)CC3)C[C@@H](C(=O)NCC(C)C)C2)cc1OC ZINC000023354034 557086649 /nfs/dbraw/zinc/08/66/49/557086649.db2.gz BIMFEZWMWLZNBA-FGZHOGPDSA-N 1 1 446.636 2.162 50 0 IEAAMO COc1ccc(C[N@H+]2C[C@@H](CN3CCN(C)CC3)C[C@@H](C(=O)NCC(C)C)C2)cc1OC ZINC000023354034 557086651 /nfs/dbraw/zinc/08/66/51/557086651.db2.gz BIMFEZWMWLZNBA-FGZHOGPDSA-N 1 1 446.636 2.162 50 0 IEAAMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)CN2CCN(c3cccc(C(F)(F)F)c3)CC2)C1 ZINC000023701497 557107660 /nfs/dbraw/zinc/10/76/60/557107660.db2.gz LVHLOSRHKACKAG-FQEVSTJZSA-N 1 1 442.526 2.300 50 0 IEAAMO O=C([C@@H]1CCCN1S(=O)(=O)c1ccc(F)cc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000023818280 557118327 /nfs/dbraw/zinc/11/83/27/557118327.db2.gz DFXNFUZZXVDDFD-NRFANRHFSA-N 1 1 431.533 2.323 50 0 IEAAMO COc1ccc(C[N@@H+]2CCc3c(c(C(=O)N4CCOCC4)nn3Cc3ccccn3)C2)cc1 ZINC000014746378 557189805 /nfs/dbraw/zinc/18/98/05/557189805.db2.gz MTRZBGOSASDKDU-UHFFFAOYSA-N 1 1 447.539 2.366 50 0 IEAAMO COc1ccc(C[N@H+]2CCc3c(c(C(=O)N4CCOCC4)nn3Cc3ccccn3)C2)cc1 ZINC000014746378 557189807 /nfs/dbraw/zinc/18/98/07/557189807.db2.gz MTRZBGOSASDKDU-UHFFFAOYSA-N 1 1 447.539 2.366 50 0 IEAAMO COCCN(C[C@@H]1CCC[N@H+]2CCCC[C@@H]12)C(=O)CCCn1nnc2ccccc2c1=O ZINC000583648161 557241274 /nfs/dbraw/zinc/24/12/74/557241274.db2.gz SPIIGGBBWHFIGO-UGKGYDQZSA-N 1 1 441.576 2.311 50 0 biogenic IEAAMO O=C(c1ccc(Br)cc1)N1CCC(C(=O)N2CCN(c3[nH]cc[nH+]3)CC2)CC1 ZINC000408518074 557412276 /nfs/dbraw/zinc/41/22/76/557412276.db2.gz SULHMCPGWPGNKS-UHFFFAOYSA-N 1 1 446.349 2.373 50 0 IEAAMO CCc1ccc2c(c1)[C@]1([NH2+][C@H]([C@H](C)O)[C@H]3C(=O)N(C4CCCCCC4)C(=O)[C@H]31)C(=O)N2 ZINC000105348034 557495838 /nfs/dbraw/zinc/49/58/38/557495838.db2.gz ZUBIIHQUYPUKHA-XOWSPFIPSA-N 1 1 425.529 2.073 50 0 IEAAMO COc1ccc(C(=O)N2CCC[N@@H+](C)CC2)cc1S(=O)(=O)N(C)Cc1ccccc1 ZINC000002632811 562928834 /nfs/dbraw/zinc/92/88/34/562928834.db2.gz VTOJGLVKJHSYRI-UHFFFAOYSA-N 1 1 431.558 2.294 50 0 IEAAMO C[NH+]1CCN(NC(=O)CN2C(=O)S/C(=C\c3c(Cl)cccc3Cl)C2=O)CC1 ZINC000006878821 562948475 /nfs/dbraw/zinc/94/84/75/562948475.db2.gz KWCGBXJFGTYYJI-ZROIWOOFSA-N 1 1 429.329 2.308 50 0 IEAAMO CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)C[C@]1(c2ccccc2)CC(=O)N(Cc2cccnc2)C1=O ZINC000299765168 568756165 /nfs/dbraw/zinc/75/61/65/568756165.db2.gz JOAPVJPIVWCVQG-QFQXNSOFSA-N 1 1 448.567 2.469 50 0 IEAAMO CC(C)CC[C@]1(C2CCN(C(=O)C3([NH+]4CCOCC4)CCCCC3)CC2)NC(=O)NC1=O ZINC000299765967 568756188 /nfs/dbraw/zinc/75/61/88/568756188.db2.gz AAPCMPSZNMCXKX-XMMPIXPASA-N 1 1 448.608 2.275 50 0 IEAAMO COc1cc(=O)n2c(c1C(=O)N1CCCC1)CC[N@@H+](Cc1cccn1-c1ccccn1)CC2 ZINC000299764095 568756260 /nfs/dbraw/zinc/75/62/60/568756260.db2.gz SAVZWXZJMRDBEZ-UHFFFAOYSA-N 1 1 447.539 2.337 50 0 IEAAMO COc1cc(=O)n2c(c1C(=O)N1CCCC1)CC[N@H+](Cc1cccn1-c1ccccn1)CC2 ZINC000299764095 568756261 /nfs/dbraw/zinc/75/62/61/568756261.db2.gz SAVZWXZJMRDBEZ-UHFFFAOYSA-N 1 1 447.539 2.337 50 0 IEAAMO Cc1c(C(=O)NC[C@H]2CCCO2)nnn1-c1cccc2c1CC[N@H+](C1CCOCC1)C2 ZINC000084060879 568790853 /nfs/dbraw/zinc/79/08/53/568790853.db2.gz GHXBFVIZLNJNEM-LJQANCHMSA-N 1 1 425.533 2.022 50 0 IEAAMO CCOc1ccc(OCC)c(S(=O)(=O)N2CCN(c3cc(N(C)C)nc(C)[nH+]3)CC2)c1 ZINC000015671235 568802680 /nfs/dbraw/zinc/80/26/80/568802680.db2.gz UNQMKPYRYXZHEF-UHFFFAOYSA-N 1 1 449.577 2.159 50 0 IEAAMO COCCCN(C[C@H]1CCC[N@H+]2CCCC[C@H]12)C(=O)Cn1c(=O)[nH]c2ccccc2c1=O ZINC000409414004 568903571 /nfs/dbraw/zinc/90/35/71/568903571.db2.gz HTLUVOLSBWQPTO-WIYYLYMNSA-N 1 1 442.560 2.232 50 0 biogenic IEAAMO Cc1cccc(C[N@H+]2CCCN(CCCNC(=O)c3nc(-c4ccncn4)no3)CC2)c1 ZINC000064459849 568929421 /nfs/dbraw/zinc/92/94/21/568929421.db2.gz PYMAHCISNYDLED-UHFFFAOYSA-N 1 1 435.532 2.163 50 0 IEAAMO Cc1cccc(CN2CCC[N@H+](CCCNC(=O)c3nc(-c4ccncn4)no3)CC2)c1 ZINC000064459849 568929422 /nfs/dbraw/zinc/92/94/22/568929422.db2.gz PYMAHCISNYDLED-UHFFFAOYSA-N 1 1 435.532 2.163 50 0 IEAAMO Cc1cccc(CN2CCC[N@@H+](CCCNC(=O)c3nc(-c4ccncn4)no3)CC2)c1 ZINC000064459849 568929425 /nfs/dbraw/zinc/92/94/25/568929425.db2.gz PYMAHCISNYDLED-UHFFFAOYSA-N 1 1 435.532 2.163 50 0 IEAAMO Cn1ncc2c3ccccc3n(CC(=O)NCCC[N@H+]3CCc4ccccc4C3)c2c1=O ZINC000064775918 568954863 /nfs/dbraw/zinc/95/48/63/568954863.db2.gz NUPMZSQZHQVREG-UHFFFAOYSA-N 1 1 429.524 2.453 50 0 IEAAMO CCOC(=O)CCC(=O)N1CC[NH+]([C@H](C(=O)NCCc2ccccc2)C2CCCC2)CC1 ZINC000036253058 568984327 /nfs/dbraw/zinc/98/43/27/568984327.db2.gz QGDXLGNXWBSKGM-DEOSSOPVSA-N 1 1 443.588 2.392 50 0 IEAAMO COCCN(C[C@@H]1C[N@H+](C[C@@H](O)Cc2ccccc2)CCO1)C(=O)c1ccc(C)cc1 ZINC000169680627 568991914 /nfs/dbraw/zinc/99/19/14/568991914.db2.gz YKLZYDHJBABSCZ-ZEQRLZLVSA-N 1 1 426.557 2.388 50 0 IEAAMO COCCN(C[C@@H]1C[N@@H+](C[C@@H](O)Cc2ccccc2)CCO1)C(=O)c1ccc(C)cc1 ZINC000169680627 568991917 /nfs/dbraw/zinc/99/19/17/568991917.db2.gz YKLZYDHJBABSCZ-ZEQRLZLVSA-N 1 1 426.557 2.388 50 0 IEAAMO COCCN(C[C@H]1C[N@H+](C[C@@H](O)Cc2ccccc2)CCO1)C(=O)c1ccc(C)cc1 ZINC000169680628 568992101 /nfs/dbraw/zinc/99/21/01/568992101.db2.gz YKLZYDHJBABSCZ-BJKOFHAPSA-N 1 1 426.557 2.388 50 0 IEAAMO COCCN(C[C@H]1C[N@@H+](C[C@@H](O)Cc2ccccc2)CCO1)C(=O)c1ccc(C)cc1 ZINC000169680628 568992102 /nfs/dbraw/zinc/99/21/02/568992102.db2.gz YKLZYDHJBABSCZ-BJKOFHAPSA-N 1 1 426.557 2.388 50 0 IEAAMO COCCN(C[C@@H]1C[N@H+](C[C@@H](O)Cc2ccccc2)CCO1)C(=O)c1ccccc1F ZINC000169681966 568992814 /nfs/dbraw/zinc/99/28/14/568992814.db2.gz INWLNOGYFSGYIZ-SFTDATJTSA-N 1 1 430.520 2.219 50 0 IEAAMO COCCN(C[C@@H]1C[N@@H+](C[C@@H](O)Cc2ccccc2)CCO1)C(=O)c1ccccc1F ZINC000169681966 568992815 /nfs/dbraw/zinc/99/28/15/568992815.db2.gz INWLNOGYFSGYIZ-SFTDATJTSA-N 1 1 430.520 2.219 50 0 IEAAMO COc1ccc(C2=NN(C(=O)CN3CC[NH+](C)CC3)[C@H](c3ccc4c(c3)OCO4)C2)cc1 ZINC000036341862 569078982 /nfs/dbraw/zinc/07/89/82/569078982.db2.gz FQIXXCUDEKEHBC-NRFANRHFSA-N 1 1 436.512 2.349 50 0 IEAAMO COc1ccc(C2=NN(C(=O)CN3CC[NH+](C)CC3)[C@@H](c3ccc4c(c3)OCO4)C2)cc1 ZINC000036341863 569079211 /nfs/dbraw/zinc/07/92/11/569079211.db2.gz FQIXXCUDEKEHBC-OAQYLSRUSA-N 1 1 436.512 2.349 50 0 IEAAMO O=C(NCCC[NH+]1CCOCC1)c1ccc2c(c1)N(S(=O)(=O)c1ccccc1F)CC2 ZINC000065210621 569116330 /nfs/dbraw/zinc/11/63/30/569116330.db2.gz AYTWGHWAGWTZGM-UHFFFAOYSA-N 1 1 447.532 2.029 50 0 IEAAMO COc1cc([C@H](CC(=O)N[C@@H]2C[NH+]3CCC2CC3)c2oc(C)cc(=O)c2O)ccc1O ZINC000524730749 569126063 /nfs/dbraw/zinc/12/60/63/569126063.db2.gz VZAONEAAWRGSAA-DLBZAZTESA-N 1 1 428.485 2.100 50 0 biogenic IEAAMO COCCn1c(C(=O)NCC[N@H+]2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc2ccccc21 ZINC000524731973 569126770 /nfs/dbraw/zinc/12/67/70/569126770.db2.gz RHOAKFCREJFSST-QUCCMNQESA-N 1 1 434.540 2.299 50 0 biogenic IEAAMO CCn1c2c(C(=O)NCc3ccccn3)cnn2c(=O)c2c1CC[N@@H+](Cc1ccccc1)C2 ZINC000065301745 569132829 /nfs/dbraw/zinc/13/28/29/569132829.db2.gz KHXPVTJOYMUYHX-UHFFFAOYSA-N 1 1 442.523 2.399 50 0 IEAAMO COc1ccc(-c2cc(=O)n(CC(=O)N3CC[NH+](CCc4ccccc4)CC3)cn2)cc1 ZINC000013807493 569157174 /nfs/dbraw/zinc/15/71/74/569157174.db2.gz PFMGXVGBWDMUCO-UHFFFAOYSA-N 1 1 432.524 2.306 50 0 IEAAMO CC[C@@H](C)[C@H]([NH2+]CC(=O)Nc1ccccc1S(=O)(=O)N(C)C1CCCCC1)C(N)=O ZINC000089942166 569168387 /nfs/dbraw/zinc/16/83/87/569168387.db2.gz NKWYXQIFMWHFMV-QRWLVFNGSA-N 1 1 438.594 2.068 50 0 IEAAMO CCOC(=O)c1ccc(NC(=O)[C@@H]2C[C@H]([C@H](C)O)[NH2+][C@@]23C(=O)Nc2ccc(F)cc23)cc1 ZINC000253380909 569264121 /nfs/dbraw/zinc/26/41/21/569264121.db2.gz CBPOOYULSIEABU-FOPCRZJZSA-N 1 1 441.459 2.147 50 0 IEAAMO Cc1cc(S(=O)(=O)[C@H]2CS(=O)(=O)C[C@@H]2[NH2+]CCc2ccccc2F)ccc1F ZINC000013371856 569315010 /nfs/dbraw/zinc/31/50/10/569315010.db2.gz KRHXAAXDHBWXCX-OALUTQOASA-N 1 1 429.510 2.045 50 0 IEAAMO O=S(=O)(c1ccc(Cl)cc1)[C@H]1CS(=O)(=O)C[C@@H]1[NH2+]CCc1ccc(F)cc1 ZINC000019797247 569329637 /nfs/dbraw/zinc/32/96/37/569329637.db2.gz RKSXLSNJYYZJGZ-ROUUACIJSA-N 1 1 431.938 2.251 50 0 IEAAMO COc1cc2c(cc1OC)[C@@H](C(=O)N1CC[NH+](C)CC1)[C@@H](c1cccs1)N(C)C2=O ZINC000020114137 569334870 /nfs/dbraw/zinc/33/48/70/569334870.db2.gz LZODQNVTJSEOJY-WOJBJXKFSA-N 1 1 429.542 2.450 50 0 IEAAMO CN1CC[NH+](CCCNC(=O)[C@H]2c3ccccc3C(=O)N(C)[C@@H]2c2cccs2)CC1 ZINC000020116009 569335027 /nfs/dbraw/zinc/33/50/27/569335027.db2.gz DPSSIGCZXFYBNO-LEWJYISDSA-N 1 1 426.586 2.412 50 0 IEAAMO CC[NH+]1CCN([C@H](c2cccs2)[C@H](C)NC(=O)C(=O)NCc2ccccc2OC)CC1 ZINC000020288019 569359277 /nfs/dbraw/zinc/35/92/77/569359277.db2.gz UDKOHTUMPJPSOX-UWJYYQICSA-N 1 1 444.601 2.256 50 0 IEAAMO CC[NH+]1CCN([C@H](c2cccs2)[C@H](C)NC(=O)C(=O)NCc2ccc(F)cc2)CC1 ZINC000020287931 569359329 /nfs/dbraw/zinc/35/93/29/569359329.db2.gz VKEBUWGYFCUQRH-JXFKEZNVSA-N 1 1 432.565 2.387 50 0 IEAAMO Cc1ccc(C)n1-c1nnc(N2CCC[C@H](C(=O)NCCC[NH+]3CCOCC3)C2)s1 ZINC000020414962 569364291 /nfs/dbraw/zinc/36/42/91/569364291.db2.gz HMHXSZJBDFXTNH-SFHVURJKSA-N 1 1 432.594 2.001 50 0 IEAAMO CCOC(=O)N[C@@H]1CCC[N@H+](CCN2C(=O)COc3ccc(Br)cc32)C1 ZINC000095995297 569378578 /nfs/dbraw/zinc/37/85/78/569378578.db2.gz JCMILSWZASPPBP-CQSZACIVSA-N 1 1 426.311 2.385 50 0 IEAAMO CCOC(=O)N[C@@H]1CCC[N@@H+](CCN2C(=O)COc3ccc(Br)cc32)C1 ZINC000095995297 569378580 /nfs/dbraw/zinc/37/85/80/569378580.db2.gz JCMILSWZASPPBP-CQSZACIVSA-N 1 1 426.311 2.385 50 0 IEAAMO CCOCCN1[NH+]=C(C)[C@@H](C)n2c1nc1c2c(=O)n(C/C=C\c2ccccc2)c(=O)n1C ZINC000096019519 569380419 /nfs/dbraw/zinc/38/04/19/569380419.db2.gz AOQNCFHJAISHNK-QJWNTBNXSA-N 1 1 436.516 2.404 50 0 IEAAMO O=C(NCC[NH+]1CCN(c2ccccc2)CC1)N[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 ZINC000056925367 569427792 /nfs/dbraw/zinc/42/77/92/569427792.db2.gz LYIIWNACKHCSGI-LJQANCHMSA-N 1 1 425.508 2.052 50 0 IEAAMO C[C@H](CNC(=O)CN1C(=O)N[C@@](C)(c2ccc(F)cc2)C1=O)[N@@H+]1CCc2sccc2C1 ZINC000031961973 569458558 /nfs/dbraw/zinc/45/85/58/569458558.db2.gz IPMUXLVCCSLNEH-PEBXRYMYSA-N 1 1 444.532 2.217 50 0 IEAAMO C[C@H](CNC(=O)CN1C(=O)N[C@@](C)(c2ccc(F)cc2)C1=O)[N@H+]1CCc2sccc2C1 ZINC000031961973 569458559 /nfs/dbraw/zinc/45/85/59/569458559.db2.gz IPMUXLVCCSLNEH-PEBXRYMYSA-N 1 1 444.532 2.217 50 0 IEAAMO O=C(CCC(=O)NC1CCCCCC1)N[C@@H]1C2CN3CC1(c1ccccc1)C[N@@H+](C2)CC3 ZINC000670460045 569460631 /nfs/dbraw/zinc/46/06/31/569460631.db2.gz GTYRKPYTBDEBBZ-XXBILOIISA-N 1 1 438.616 2.289 50 0 IEAAMO CCOC(=O)C1=C(C[NH+]2CCCCC2)NC(=O)N[C@@H]1c1ccc(OC)c(OC)c1OC ZINC000067286441 569466907 /nfs/dbraw/zinc/46/69/07/569466907.db2.gz UNLQHNIOQDIUDR-GOSISDBHSA-N 1 1 433.505 2.369 50 0 IEAAMO CCOC(=O)C1C(C[NH+]2CCC3(CC2)OCCO3)=NC(=O)N[C@@H]1c1ccc(CC)cc1 ZINC000067286530 569467088 /nfs/dbraw/zinc/46/70/88/569467088.db2.gz BALTZAMZXXTOMR-HXUWFJFHSA-N 1 1 429.517 2.259 50 0 IEAAMO COCCN1[NH+]=C(C(C)(C)C)Cn2c1nc1c2c(=O)n(Cc2cccc(C)c2)c(=O)n1C ZINC000008704220 569470299 /nfs/dbraw/zinc/47/02/99/569470299.db2.gz NSSPJIGXWHKBII-UHFFFAOYSA-N 1 1 438.532 2.122 50 0 IEAAMO COCCN1[NH+]=C(C)[C@H](C)n2c1nc1c2c(=O)n(Cc2ccc(Cl)cc2)c(=O)n1C ZINC000008725038 569472099 /nfs/dbraw/zinc/47/20/99/569472099.db2.gz ZXDJKRVQROGVRR-ZDUSSCGKSA-N 1 1 430.896 2.002 50 0 IEAAMO O=C(Cn1cnc2ccc(F)cc2c1=O)N1CC[NH+](CCSc2ccccc2)CC1 ZINC000040139422 569490896 /nfs/dbraw/zinc/49/08/96/569490896.db2.gz ZHFNIVHEFSIBCY-UHFFFAOYSA-N 1 1 426.517 2.472 50 0 IEAAMO C[NH+]1CCN(C(=O)CCNC(=O)Nc2cccc(COc3ccc4c(c3)OCO4)c2)CC1 ZINC000040145545 569492155 /nfs/dbraw/zinc/49/21/55/569492155.db2.gz UZQNYFGHCZPRDR-UHFFFAOYSA-N 1 1 440.500 2.280 50 0 IEAAMO C[N@H+]1CCN(CCNC(=O)c2nc(N3CCCC3)ncc2Cl)[C@H](c2ccccc2)C1 ZINC000040154156 569493771 /nfs/dbraw/zinc/49/37/71/569493771.db2.gz OMHIJDOIOJFVEZ-IBGZPJMESA-N 1 1 428.968 2.449 50 0 IEAAMO CCCC[N@@H+](C)CCNS(=O)(=O)c1cc2c(cc1Br)CCN2C(C)=O ZINC000040450187 569506281 /nfs/dbraw/zinc/50/62/81/569506281.db2.gz NZPNYJNATNOIHE-UHFFFAOYSA-N 1 1 432.384 2.368 50 0 IEAAMO C[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)NC[C@@H](c3ccco3)[NH+](C)C)c2)C[C@@H](C)O1 ZINC000009282889 569518757 /nfs/dbraw/zinc/51/87/57/569518757.db2.gz BUPCBRFEJCHJPT-MDZRGWNJSA-N 1 1 435.546 2.110 50 0 IEAAMO CCN(CC)S(=O)(=O)c1ccc(NC(=O)CCc2nc(C3=CC[N@@H+](C)CC3)no2)cc1 ZINC000009289874 569519636 /nfs/dbraw/zinc/51/96/36/569519636.db2.gz UIVMYWKUVCBIQI-UHFFFAOYSA-N 1 1 447.561 2.390 50 0 IEAAMO O=C(CNC(=O)[C@H]1c2ccccc2C(=O)N1C1CC1)NCCC[N@H+]1CCc2ccccc2C1 ZINC000070005868 569527794 /nfs/dbraw/zinc/52/77/94/569527794.db2.gz QMSTUJBKXSAZAY-XMMPIXPASA-N 1 1 446.551 2.027 50 0 IEAAMO C[C@@H](C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)[N@@H+]1CCC[C@@H]1c1cccn1C ZINC000009577783 569548220 /nfs/dbraw/zinc/54/82/20/569548220.db2.gz WWKKEJBPMOMWMT-LAUBAEHRSA-N 1 1 446.573 2.210 50 0 IEAAMO C[C@@H](C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)[N@H+]1CCC[C@@H]1c1cccn1C ZINC000009577783 569548221 /nfs/dbraw/zinc/54/82/21/569548221.db2.gz WWKKEJBPMOMWMT-LAUBAEHRSA-N 1 1 446.573 2.210 50 0 IEAAMO C[C@@H](C(=O)Nc1ccc(OC(F)(F)F)cc1)[NH+]1CCC(C(=O)N2CCOCC2)CC1 ZINC000010054164 569577617 /nfs/dbraw/zinc/57/76/17/569577617.db2.gz VGHYPXGSDHQJEQ-AWEZNQCLSA-N 1 1 429.439 2.483 50 0 IEAAMO CC(C)[N@@H+]1CCNC(=O)[C@@H]1CC(=O)N1CCC(O)(c2cccc(C(F)(F)F)c2)CC1 ZINC000012612700 519684753 /nfs/dbraw/zinc/68/47/53/519684753.db2.gz KIKCJSDNHZPVKK-KRWDZBQOSA-N 1 1 427.467 2.114 50 0 IEAAMO CC(C)[N@H+]1CCNC(=O)[C@@H]1CC(=O)N1CCC(O)(c2cccc(C(F)(F)F)c2)CC1 ZINC000012612700 519684755 /nfs/dbraw/zinc/68/47/55/519684755.db2.gz KIKCJSDNHZPVKK-KRWDZBQOSA-N 1 1 427.467 2.114 50 0 IEAAMO CC(=O)Oc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2CCC[N@H+]2[C@]32c3ccccc3NC2=O)cc1 ZINC000020504075 519759200 /nfs/dbraw/zinc/75/92/00/519759200.db2.gz RDYYNNNAKVQNDY-CMCWBKRRSA-N 1 1 431.448 2.043 50 0 IEAAMO CCOC[C@@H](O)C[NH+]1CCN(Cc2nc(C(=O)Nc3ccc(F)c(Cl)c3)co2)CC1 ZINC000034677515 520098035 /nfs/dbraw/zinc/09/80/35/520098035.db2.gz IMAMKTCFECNNGT-HNNXBMFYSA-N 1 1 440.903 2.234 50 0 IEAAMO CCN(CC)C(=O)[C@H]1CCC[N@@H+](Cc2ccc(C(=O)NCc3ccsc3)c(=O)[nH]2)C1 ZINC000012190928 520539480 /nfs/dbraw/zinc/53/94/80/520539480.db2.gz RVXGYWUFVNRZCX-KRWDZBQOSA-N 1 1 430.574 2.447 50 0 IEAAMO CCOc1ccc(NC(=O)N2CCN(c3cc(N4CCOCC4)[nH+]c(C)n3)CC2)cc1 ZINC000021795285 521087495 /nfs/dbraw/zinc/08/74/95/521087495.db2.gz UQUNCZQHSBXPBP-UHFFFAOYSA-N 1 1 426.521 2.374 50 0 IEAAMO CCOC(=O)c1c(C)c(C(N)=O)sc1NC(=O)CNC[C@H](c1ccccc1)[NH+](C)C ZINC000022039353 521389548 /nfs/dbraw/zinc/38/95/48/521389548.db2.gz MLJVUXCQHPKJSQ-OAHLLOKOSA-N 1 1 432.546 2.163 50 0 IEAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)Cn1ccc2cc(S(=O)(=O)N3CCCCC3)ccc21 ZINC000020937352 521635773 /nfs/dbraw/zinc/63/57/73/521635773.db2.gz BHCAELCAYJDJOV-LJQANCHMSA-N 1 1 432.590 2.416 50 0 IEAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1 ZINC000012605704 521637287 /nfs/dbraw/zinc/63/72/87/521637287.db2.gz ISYRBFPDMRNMOC-GOSISDBHSA-N 1 1 445.541 2.473 50 0 IEAAMO CC[NH+]1CCN(C(=O)[C@@H](C)OC(=O)c2ccc3c(c2)C(=O)N(CCC(C)C)C3=O)CC1 ZINC000022358768 521666058 /nfs/dbraw/zinc/66/60/58/521666058.db2.gz HZRDBYRDDQACIC-MRXNPFEDSA-N 1 1 429.517 2.038 50 0 IEAAMO CCN1CC[NH+](CCCNC(=O)c2ccc(NC(=O)C3=C(C)OCCS3)cc2)CC1 ZINC000020919500 521681052 /nfs/dbraw/zinc/68/10/52/521681052.db2.gz CAOUQLKJNMCBCL-UHFFFAOYSA-N 1 1 432.590 2.377 50 0 IEAAMO CCN1CC[NH+](CCCNC(=O)c2ccc(C[S@](=O)c3ccc(OC)cc3)o2)CC1 ZINC000020514996 521681567 /nfs/dbraw/zinc/68/15/67/521681567.db2.gz MJUVQCNBVQYARF-SSEXGKCCSA-N 1 1 433.574 2.353 50 0 IEAAMO CCN1CCN(C[C@@H](O)COc2ccc(C[N@H+](C)CCC3CCOCC3)cc2OC)CC1 ZINC000022913249 521684874 /nfs/dbraw/zinc/68/48/74/521684874.db2.gz KNYOGJHNPOEOSG-HSZRJFAPSA-N 1 1 449.636 2.321 50 0 IEAAMO CCN1CCN(C[C@@H](O)COc2ccc(C[N@@H+](C)CCC3CCOCC3)cc2OC)CC1 ZINC000022913249 521684876 /nfs/dbraw/zinc/68/48/76/521684876.db2.gz KNYOGJHNPOEOSG-HSZRJFAPSA-N 1 1 449.636 2.321 50 0 IEAAMO CCN1CCN(C[C@H](O)COc2ccc(C[N@H+](C)CCC3CCOCC3)cc2OC)CC1 ZINC000022913253 521686761 /nfs/dbraw/zinc/68/67/61/521686761.db2.gz KNYOGJHNPOEOSG-QHCPKHFHSA-N 1 1 449.636 2.321 50 0 IEAAMO CCN1CCN(C[C@H](O)COc2ccc(C[N@@H+](C)CCC3CCOCC3)cc2OC)CC1 ZINC000022913253 521686762 /nfs/dbraw/zinc/68/67/62/521686762.db2.gz KNYOGJHNPOEOSG-QHCPKHFHSA-N 1 1 449.636 2.321 50 0 IEAAMO CC[C@H](C)[C@H]([NH2+]C1CCN(c2ccc(NS(=O)(=O)N(C)C)cc2)CC1)C(=O)OC ZINC000020449693 521976559 /nfs/dbraw/zinc/97/65/59/521976559.db2.gz DAKWVLKXTYLRNF-KXBFYZLASA-N 1 1 426.583 2.051 50 0 IEAAMO COC(=O)c1ccc(C[N@@H+]2CCc3nnc(CNC(=O)c4cccc(F)c4)n3CC2)cc1 ZINC000020600798 522017125 /nfs/dbraw/zinc/01/71/25/522017125.db2.gz KWOGATRQHBJFIA-UHFFFAOYSA-N 1 1 437.475 2.192 50 0 IEAAMO COc1cc(=O)n2c(c1C(=O)N[C@H](C)c1ccco1)CC[N@@H+](Cc1cnn(C)c1C)CC2 ZINC000020454215 522018314 /nfs/dbraw/zinc/01/83/14/522018314.db2.gz DMMWGTUIFRXCSI-OAHLLOKOSA-N 1 1 439.516 2.041 50 0 IEAAMO COc1cc(=O)n2c(c1C(=O)N[C@H](C)c1ccco1)CC[N@H+](Cc1cnn(C)c1C)CC2 ZINC000020454215 522018323 /nfs/dbraw/zinc/01/83/23/522018323.db2.gz DMMWGTUIFRXCSI-OAHLLOKOSA-N 1 1 439.516 2.041 50 0 IEAAMO CN(C)S(=O)(=O)c1ccc(N2CCCC2)c(C(=O)NC[C@@H](c2ccco2)[NH+](C)C)c1 ZINC000012548806 522024649 /nfs/dbraw/zinc/02/46/49/522024649.db2.gz WZZKSFJJAKWTIW-IBGZPJMESA-N 1 1 434.562 2.163 50 0 IEAAMO COC(=O)c1ccc([C@@H]2C(C(=O)OC)=C(C)C=C([NH+]3CCOCC3)[C@@H]2C(=O)OC)cc1 ZINC000012402741 522163012 /nfs/dbraw/zinc/16/30/12/522163012.db2.gz DHTOEOYYVHNGHH-UXHICEINSA-N 1 1 429.469 2.065 50 0 IEAAMO C[N@H+](CC(=O)NCc1ccc(S(N)(=O)=O)cc1)Cc1ccccc1N1CCCCC1 ZINC000012549155 522482960 /nfs/dbraw/zinc/48/29/60/522482960.db2.gz DJNKIHIWFWOEAG-UHFFFAOYSA-N 1 1 430.574 2.073 50 0 IEAAMO C[N@@H+](CC(=O)NCc1ccc(S(N)(=O)=O)cc1)Cc1ccccc1N1CCCCC1 ZINC000012549155 522482968 /nfs/dbraw/zinc/48/29/68/522482968.db2.gz DJNKIHIWFWOEAG-UHFFFAOYSA-N 1 1 430.574 2.073 50 0 IEAAMO C[N@@H+](CCNC(=O)[C@@H]1CCCN(c2nnc(N3CCCC3=O)s2)C1)C1CCCCC1 ZINC000021027045 522857288 /nfs/dbraw/zinc/85/72/88/522857288.db2.gz GGEQSPQPVAUEDQ-MRXNPFEDSA-N 1 1 434.610 2.262 50 0 IEAAMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)[C@@H]1CCCN(S(=O)(=O)N2CCCCC2)C1 ZINC000021527786 523019452 /nfs/dbraw/zinc/01/94/52/523019452.db2.gz GASUHEQCZLYEHU-UXHICEINSA-N 1 1 428.643 2.200 50 0 IEAAMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)[C@@H]1CCCN(S(=O)(=O)N2CCCCC2)C1 ZINC000021527784 523166313 /nfs/dbraw/zinc/16/63/13/523166313.db2.gz GASUHEQCZLYEHU-WOJBJXKFSA-N 1 1 428.643 2.200 50 0 IEAAMO CCn1ccc2cc(S(=O)(=O)N3CCC[C@@H](C(=O)N4CC[NH+](CC)CC4)C3)ccc21 ZINC000021937866 523495456 /nfs/dbraw/zinc/49/54/56/523495456.db2.gz AACZXLXXSYOBOX-LJQANCHMSA-N 1 1 432.590 2.226 50 0 IEAAMO CCc1ccc(NC(=O)Cn2cnc3nc(N4CC[NH+](CC)CC4)sc3c2=O)cc1 ZINC000021886446 523977349 /nfs/dbraw/zinc/97/73/49/523977349.db2.gz CRHBGTROCPWBMC-UHFFFAOYSA-N 1 1 426.546 2.196 50 0 IEAAMO COc1ccc(C[NH+]2CCN(c3ccc(S(=O)(=O)N4CCCC4)cn3)CC2)cc1OC ZINC000023296205 524034222 /nfs/dbraw/zinc/03/42/22/524034222.db2.gz HRTJYBRDFAXLFQ-UHFFFAOYSA-N 1 1 446.573 2.206 50 0 IEAAMO C[C@H]1CCCN(c2nn3c(ncc(C(=O)NCC[N@@H+](C)C4CCCCC4)c3=O)s2)C1 ZINC000021537707 524109489 /nfs/dbraw/zinc/10/94/89/524109489.db2.gz UZLHNCAPEHEJFK-HNNXBMFYSA-N 1 1 432.594 2.382 50 0 IEAAMO C[C@@H]1CCC[N@@H+](CCCNC(=O)Cn2c3ccccc3n(Cc3ccccc3)c(=O)c2=O)C1 ZINC000021944398 524224389 /nfs/dbraw/zinc/22/43/89/524224389.db2.gz KXDQPJKUFBYIGD-HXUWFJFHSA-N 1 1 448.567 2.450 50 0 IEAAMO COc1ccc(S(=O)(=O)N2CCC(C(=O)NC[C@@H]3CCC[N@H+]4CCCC[C@H]34)CC2)cc1 ZINC000012296899 525019545 /nfs/dbraw/zinc/01/95/45/525019545.db2.gz QZJLAZRTFVNMFE-SIKLNZKXSA-N 1 1 449.617 2.477 50 0 biogenic IEAAMO COc1ccc(S(=O)(=O)N2CCN(c3cc(-n4ccnc4)nc(C)[nH+]3)CC2)cc1Cl ZINC000035598093 525038576 /nfs/dbraw/zinc/03/85/76/525038576.db2.gz ZTZUDXWRHHXNSX-UHFFFAOYSA-N 1 1 448.936 2.144 50 0 IEAAMO COc1cccc(-n2c(CNC(=O)[C@H]3CCCCN3C)nnc2SCC[NH+](C)C)c1 ZINC000012148737 525746302 /nfs/dbraw/zinc/74/63/02/525746302.db2.gz IPGRBFXRHZGBOE-GOSISDBHSA-N 1 1 432.594 2.030 50 0 IEAAMO Cc1coc2c1c(C)cc1oc(=O)c(CC(=O)N(C)CC(=O)N3CC[NH+](C)CC3)c(C)c21 ZINC000020649508 526291467 /nfs/dbraw/zinc/29/14/67/526291467.db2.gz MGYNALXZMBCGPM-UHFFFAOYSA-N 1 1 439.512 2.239 50 0 IEAAMO O=C(CC[C@H]1CCCN(C(=O)CCN2CCCO2)C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020999793 526568327 /nfs/dbraw/zinc/56/83/27/526568327.db2.gz LGFFDGLGZXUNTG-HSZRJFAPSA-N 1 1 442.604 2.377 50 0 IEAAMO O=C(NCc1cc2cc(Cl)ccc2[nH]1)[C@H]1CCC(=O)N(CCC[NH+]2CCOCC2)C1 ZINC000020774325 526642497 /nfs/dbraw/zinc/64/24/97/526642497.db2.gz XRNYKCWMVMZYEK-INIZCTEOSA-N 1 1 432.952 2.398 50 0 IEAAMO O=C(c1nc2ccccn2c1CNC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)N1CCOCC1 ZINC000012306726 526917944 /nfs/dbraw/zinc/91/79/44/526917944.db2.gz TVKYNGPKNDBGAX-NRFANRHFSA-N 1 1 433.556 2.418 50 0 IEAAMO O=C1COc2cc(S(=O)(=O)NCCC[N@H+]3CCc4ccccc4C3)c(Cl)cc2N1 ZINC000021108622 527013799 /nfs/dbraw/zinc/01/37/99/527013799.db2.gz BFDPQSUSLCSMPD-UHFFFAOYSA-N 1 1 435.933 2.398 50 0 IEAAMO Cc1nn(CC(=O)N2CC[NH+](Cc3ccccc3)CC2)c(=O)c2cc(-c3ccccc3)nn21 ZINC000021017851 527701612 /nfs/dbraw/zinc/70/16/12/527701612.db2.gz UWQKSWVXFUWCJK-UHFFFAOYSA-N 1 1 442.523 2.211 50 0 IEAAMO Cc1nn(C)cc1-c1cc(C(F)(F)F)n2ncc(C(=O)N3CC[N@H+]4CCC[C@@H]4C3)c2n1 ZINC000002778391 556141080 /nfs/dbraw/zinc/14/10/80/556141080.db2.gz IFQXTMYFWFRDJJ-CYBMUJFWSA-N 1 1 433.438 2.377 50 0 IEAAMO CSCC[C@@H](NC(=O)c1ccccc1Br)C(=O)N1CCC[N@@H+](C)CC1 ZINC000097617208 556282105 /nfs/dbraw/zinc/28/21/05/556282105.db2.gz IJGKRDMGYRHZRT-MRXNPFEDSA-N 1 1 428.396 2.465 50 0 IEAAMO O=C(C[C@H]1N=C(N2CC[NH+](Cc3ccccc3)CC2)NC1=O)Nc1ccc(Cl)cc1 ZINC000013719452 556288636 /nfs/dbraw/zinc/28/86/36/556288636.db2.gz LKTJXGBJPHJAPE-LJQANCHMSA-N 1 1 425.920 2.341 50 0 IEAAMO CCOC(=O)C1=C(C[NH2+][C@@H](C)c2ccc(S(C)(=O)=O)cc2)NC(=O)N[C@H]1c1ccco1 ZINC000032797388 556364025 /nfs/dbraw/zinc/36/40/25/556364025.db2.gz LNUJTRPFPWAUNJ-DJJJIMSYSA-N 1 1 447.513 2.205 50 0 IEAAMO Cc1ccc(S(=O)(=O)N2CCC[N@H+](CCCN3C(=O)c4ccccc4C3=O)CC2)cc1 ZINC000032806051 556368223 /nfs/dbraw/zinc/36/82/23/556368223.db2.gz QAAFAVQHMGNLQP-UHFFFAOYSA-N 1 1 441.553 2.378 50 0 IEAAMO Cc1ccc(S(=O)(=O)N2CCC[N@@H+](CCCN3C(=O)c4ccccc4C3=O)CC2)cc1 ZINC000032806051 556368226 /nfs/dbraw/zinc/36/82/26/556368226.db2.gz QAAFAVQHMGNLQP-UHFFFAOYSA-N 1 1 441.553 2.378 50 0 IEAAMO COc1cc(C[N@@H+]2CCc3nnc([C@H](C)NC(=O)c4ccco4)n3CC2)cc(OC)c1 ZINC000012038206 556390491 /nfs/dbraw/zinc/39/04/91/556390491.db2.gz IJIGMNGSPVAIGN-HNNXBMFYSA-N 1 1 425.489 2.438 50 0 IEAAMO CCn1nc(C(=O)N2CCOCC2)c2c1CC[C@H]([N@@H+](C)Cc1ccc(OC)c(OC)c1)C2 ZINC000014745730 556440685 /nfs/dbraw/zinc/44/06/85/556440685.db2.gz QGSBOBOXVZDCAG-SFHVURJKSA-N 1 1 442.560 2.382 50 0 IEAAMO CCn1nc(C(=O)N2CCOCC2)c2c1CC[C@@H]([N@@H+](C)Cc1ccc(OC)c(OC)c1)C2 ZINC000014745731 556441152 /nfs/dbraw/zinc/44/11/52/556441152.db2.gz QGSBOBOXVZDCAG-GOSISDBHSA-N 1 1 442.560 2.382 50 0 IEAAMO CCN(C(=O)C[NH2+][C@H](C)c1ccccc1F)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000013039986 556445706 /nfs/dbraw/zinc/44/57/06/556445706.db2.gz NARMXQPLMWFLDW-OAHLLOKOSA-N 1 1 439.491 2.010 50 0 IEAAMO COc1ccc2ccccc2c1C[N@@H+]1CCc2nnc(CCNC(=O)[C@@H]3CCCO3)n2CC1 ZINC000014882427 556454207 /nfs/dbraw/zinc/45/42/07/556454207.db2.gz VPUHAZZCWPXZIO-QFIPXVFZSA-N 1 1 449.555 2.336 50 0 IEAAMO COC(=O)c1cn([C@H]2C[C@@H](C(=O)NCCc3cccc(Cl)c3)[N@@H+](CC(C)C)C2)nn1 ZINC000014963557 556464847 /nfs/dbraw/zinc/46/48/47/556464847.db2.gz VFJJGCGHQHAYRR-HKUYNNGSSA-N 1 1 433.940 2.348 50 0 IEAAMO CC(C)Oc1ccc(C[N@@H+]2CCc3nnc([C@@H](NS(C)(=O)=O)C(C)C)n3CC2)cc1 ZINC000014968727 556466387 /nfs/dbraw/zinc/46/63/87/556466387.db2.gz WQKYULYYJVIJMX-FQEVSTJZSA-N 1 1 435.594 2.370 50 0 IEAAMO COc1cccc(NC(=O)CN(C)C(=O)C[NH+]2CCC(C(=O)Nc3ccccc3)CC2)c1 ZINC000029199508 556470034 /nfs/dbraw/zinc/47/00/34/556470034.db2.gz BQVPRPOATWXNJS-UHFFFAOYSA-N 1 1 438.528 2.443 50 0 IEAAMO CCOc1cc(C[N@@H+]2CCc3nnc(CCNC(=O)c4ccoc4)n3CC2)ccc1O ZINC000014989642 556474414 /nfs/dbraw/zinc/47/44/14/556474414.db2.gz MELOUKMIKCHDIS-UHFFFAOYSA-N 1 1 425.489 2.006 50 0 IEAAMO C[NH+]1CCN([C@@H](CNS(=O)(=O)c2ccc(N3CCCC3=O)cc2)c2cccs2)CC1 ZINC000032876212 556485778 /nfs/dbraw/zinc/48/57/78/556485778.db2.gz CHWRAXKGLYMVHV-IBGZPJMESA-N 1 1 448.614 2.142 50 0 IEAAMO CN(CCc1ccccc1)C(=O)c1nc2sccn2c1C[NH+]1CCC(C(N)=O)CC1 ZINC000015080529 556501002 /nfs/dbraw/zinc/50/10/02/556501002.db2.gz HFBGGJODKODUKU-UHFFFAOYSA-N 1 1 425.558 2.408 50 0 IEAAMO O=C([C@@H]([NH2+]Cc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccccc1)N1CCCC1 ZINC000015501282 556531277 /nfs/dbraw/zinc/53/12/77/556531277.db2.gz YDEUUFCHOOKTIK-QFIPXVFZSA-N 1 1 443.569 2.161 50 0 IEAAMO CC(C)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)NC[C@@H](C(C)C)[NH+]1CCOCC1 ZINC000032901142 556532323 /nfs/dbraw/zinc/53/23/23/556532323.db2.gz VSOUMLGYNSKOCO-RBUKOAKNSA-N 1 1 446.013 2.116 50 0 IEAAMO C[C@@](O)(CNC(=O)Nc1cccc(COCCOc2ccccc2)c1)C[NH+]1CCOCC1 ZINC000072303921 556548161 /nfs/dbraw/zinc/54/81/61/556548161.db2.gz CSZKCCDQLJWTDE-XMMPIXPASA-N 1 1 443.544 2.487 50 0 IEAAMO COc1ccc(Cl)cc1C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]c(C)n2)CC1 ZINC000033318295 556560913 /nfs/dbraw/zinc/56/09/13/556560913.db2.gz WGLQCXOMIMFOFN-UHFFFAOYSA-N 1 1 431.924 2.246 50 0 IEAAMO O=C(N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1 ZINC000032913852 556594877 /nfs/dbraw/zinc/59/48/77/556594877.db2.gz USOFYTLMVKAZQK-NHCUHLMSSA-N 1 1 427.570 2.478 50 0 IEAAMO C[C@H](C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)[N@@H+]1CCC[C@H]1c1cccn1C ZINC000248159128 556669770 /nfs/dbraw/zinc/66/97/70/556669770.db2.gz WWKKEJBPMOMWMT-UTKZUKDTSA-N 1 1 446.573 2.210 50 0 IEAAMO C[C@H](C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)[N@H+]1CCC[C@H]1c1cccn1C ZINC000248159128 556669775 /nfs/dbraw/zinc/66/97/75/556669775.db2.gz WWKKEJBPMOMWMT-UTKZUKDTSA-N 1 1 446.573 2.210 50 0 IEAAMO COc1cc(F)ccc1-c1ccc(=O)n(CC(=O)N2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000044893814 556676105 /nfs/dbraw/zinc/67/61/05/556676105.db2.gz BPGPKESCPUQDMF-UHFFFAOYSA-N 1 1 436.487 2.402 50 0 IEAAMO COc1ccc(-c2ccc(=O)n(CC(=O)N3CC[NH+](Cc4ccccc4)CC3)n2)c(F)c1 ZINC000044920401 556682183 /nfs/dbraw/zinc/68/21/83/556682183.db2.gz WHPZCWCHAPLKRZ-UHFFFAOYSA-N 1 1 436.487 2.402 50 0 IEAAMO O=C(CC[C@@H]1CCCN(C(=O)c2cc[n+]([O-])cc2)C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000019226501 556717019 /nfs/dbraw/zinc/71/70/19/556717019.db2.gz OEGWYEBQVCEDOM-QFIPXVFZSA-N 1 1 436.556 2.297 50 0 IEAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)C1CCC(CNS(=O)(=O)c2ccc(OC)cc2)CC1 ZINC000013732389 556720745 /nfs/dbraw/zinc/72/07/45/556720745.db2.gz NSJGEXWTVXFQHP-CTWPCTMYSA-N 1 1 437.606 2.380 50 0 IEAAMO Cc1cc2c(c(C)c1)NC(=O)[C@@]21[NH2+][C@H]([C@@H](C)O)[C@H]2C(=O)N(C3CCCCCC3)C(=O)[C@H]21 ZINC000005205155 556731921 /nfs/dbraw/zinc/73/19/21/556731921.db2.gz UAOHXMBTDCHQGE-GHGPBFDQSA-N 1 1 425.529 2.127 50 0 IEAAMO Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C[NH2+]Cc1ccccc1Cl ZINC000057211564 556746889 /nfs/dbraw/zinc/74/68/89/556746889.db2.gz CFHYLBKIBXOJQB-UHFFFAOYSA-N 1 1 437.949 2.398 50 0 IEAAMO CC(C)Cn1c(N)c([C@@H](c2cccnc2)[NH+]2CCN(c3ccccc3)CC2)c(=O)[nH]c1=O ZINC000058145668 556761692 /nfs/dbraw/zinc/76/16/92/556761692.db2.gz NPGQQQKYNCHDHM-OAQYLSRUSA-N 1 1 434.544 2.081 50 0 IEAAMO COCCOC(=O)c1c(C)c(C(N)=O)sc1NC(=O)C[NH2+]Cc1ccccc1Cl ZINC000058164001 556766306 /nfs/dbraw/zinc/76/63/06/556766306.db2.gz GKFSFUKRNBEDCT-UHFFFAOYSA-N 1 1 439.921 2.340 50 0 IEAAMO Cn1cnnc1SCCNC(=O)[C@H]1CCC[N@H+](Cc2nc(-c3cccs3)no2)C1 ZINC000062022937 556766564 /nfs/dbraw/zinc/76/65/64/556766564.db2.gz PGWDBOSOBZHVLZ-ZDUSSCGKSA-N 1 1 433.563 2.047 50 0 IEAAMO Cn1cnnc1SCCNC(=O)[C@H]1CCC[N@@H+](Cc2nc(-c3cccs3)no2)C1 ZINC000062022937 556766565 /nfs/dbraw/zinc/76/65/65/556766565.db2.gz PGWDBOSOBZHVLZ-ZDUSSCGKSA-N 1 1 433.563 2.047 50 0 IEAAMO Cc1cc(C)c2c(OCC(=O)NC[C@@H](C)[NH+]3CCN(c4ccccc4)CC3)nn(C)c2n1 ZINC000058305066 556778751 /nfs/dbraw/zinc/77/87/51/556778751.db2.gz UASSQBPBJHQTKF-LJQANCHMSA-N 1 1 436.560 2.291 50 0 IEAAMO NC(=O)[C@H]1CCC[N@H+]1C1CCN(C(=O)CCc2ncc(-c3ccc(F)cc3F)o2)CC1 ZINC000058312168 556779843 /nfs/dbraw/zinc/77/98/43/556779843.db2.gz NGRVZAUHLOIBAJ-GOSISDBHSA-N 1 1 432.471 2.493 50 0 IEAAMO O=C(CCc1nnc(C(=O)Nc2cccc(Cl)c2)s1)NCCC[NH+]1CCOCC1 ZINC000033062125 556817765 /nfs/dbraw/zinc/81/77/65/556817765.db2.gz GGPKCKFAZGWNHP-UHFFFAOYSA-N 1 1 437.953 2.215 50 0 IEAAMO Cc1[nH+]ccn1-c1cc(N2CCN(S(=O)(=O)c3cc(C)c(C)cc3C)CC2)ncn1 ZINC000067601831 556843320 /nfs/dbraw/zinc/84/33/20/556843320.db2.gz FFUKXYZHIRKBOB-UHFFFAOYSA-N 1 1 426.546 2.407 50 0 IEAAMO C[NH+]1CCN(c2cc(N3CCN(C(=O)Nc4ccc(F)c(Cl)c4)CC3)ncn2)CC1 ZINC000072116043 556897817 /nfs/dbraw/zinc/89/78/17/556897817.db2.gz HSTCNTRDGHOUHG-UHFFFAOYSA-N 1 1 433.919 2.375 50 0 IEAAMO COc1ccc(NC(=O)N2CCN(c3cc[nH+]c(N4CCOCC4)n3)CC2)cc1Cl ZINC000072115951 556897907 /nfs/dbraw/zinc/89/79/07/556897907.db2.gz FEVWYAIWRCOUJX-UHFFFAOYSA-N 1 1 432.912 2.329 50 0 IEAAMO CNC(=O)c1cc(S(=O)(=O)N(C)[C@@H]2CCC[N@H+](C3Cc4ccccc4C3)C2)cs1 ZINC000072166439 556899797 /nfs/dbraw/zinc/89/97/97/556899797.db2.gz OWECQKILHJCNMJ-QGZVFWFLSA-N 1 1 433.599 2.360 50 0 IEAAMO COc1ccc(C)cc1S(=O)(=O)[C@H]1CS(=O)(=O)C[C@@H]1[NH2+]CCCc1ccccc1 ZINC000019821064 556924234 /nfs/dbraw/zinc/92/42/34/556924234.db2.gz OIRMZXYQVMFERF-RXVVDRJESA-N 1 1 437.583 2.165 50 0 IEAAMO O=C(COc1ccccc1)NCc1nnc2n1CC[N@@H+](Cc1cc(F)cc(F)c1)CC2 ZINC000019836834 556928374 /nfs/dbraw/zinc/92/83/74/556928374.db2.gz WNABBSKKGWBREQ-UHFFFAOYSA-N 1 1 427.455 2.310 50 0 IEAAMO O=C(COc1ccccc1)NCc1nnc2n1CC[N@H+](Cc1cc(F)cc(F)c1)CC2 ZINC000019836834 556928376 /nfs/dbraw/zinc/92/83/76/556928376.db2.gz WNABBSKKGWBREQ-UHFFFAOYSA-N 1 1 427.455 2.310 50 0 IEAAMO O=C(CSc1nnc(-c2cccnc2)n1-c1ccccc1)NCCC[NH+]1CCOCC1 ZINC000019901501 556942085 /nfs/dbraw/zinc/94/20/85/556942085.db2.gz NXHAWYARIVDYDB-UHFFFAOYSA-N 1 1 438.557 2.260 50 0 IEAAMO CCOc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@@H](C(=O)N2CC[NH+](CC)CC2)C1 ZINC000019938144 556952274 /nfs/dbraw/zinc/95/22/74/556952274.db2.gz HWHWPTXXMMRMKX-MRXNPFEDSA-N 1 1 443.997 2.304 50 0 IEAAMO Cc1ccc(S(=O)(=O)N(CC(=O)NCCC[NH+]2CCOCC2)c2ccccc2C)cc1 ZINC000019943160 556953908 /nfs/dbraw/zinc/95/39/08/556953908.db2.gz YIUVAMSFRDAWKH-UHFFFAOYSA-N 1 1 445.585 2.337 50 0 IEAAMO CC[NH+]1CCN(C(=O)COc2ccc(S(=O)(=O)N(C)Cc3ccccc3)cc2)CC1 ZINC000020027240 556967320 /nfs/dbraw/zinc/96/73/20/556967320.db2.gz XAJMNGYLEOEZBT-UHFFFAOYSA-N 1 1 431.558 2.050 50 0 IEAAMO Cc1ncn(-c2cc(N3CCN(S(=O)(=O)c4cc(F)ccc4F)CC3)[nH+]c(C)n2)c1C ZINC000072438026 556973014 /nfs/dbraw/zinc/97/30/14/556973014.db2.gz BQSXECCUVMURHY-UHFFFAOYSA-N 1 1 448.499 2.377 50 0 IEAAMO Cc1nn([C@@H](C)C(=O)N2CC[NH+](C)CC2)c(=O)c2c1nn(-c1ccccc1)c2-n1cccc1 ZINC000033267329 556981862 /nfs/dbraw/zinc/98/18/62/556981862.db2.gz AUHZTTRVZBDJEJ-SFHVURJKSA-N 1 1 445.527 2.016 50 0 IEAAMO Cc1cc(O)c([C@@H](c2ccncc2)N2CC[NH+](CCO)CC2)c(=O)n1Cc1ccccc1 ZINC000023086465 556997302 /nfs/dbraw/zinc/99/73/02/556997302.db2.gz WIOQFHZIVWPXAA-XMMPIXPASA-N 1 1 434.540 2.005 50 0 IEAAMO CCc1ccc(C[N@@H+]2CCc3nnc(CNS(=O)(=O)c4ccccc4)n3CC2)cc1 ZINC000020211638 556998628 /nfs/dbraw/zinc/99/86/28/556998628.db2.gz QMERPKPNRCUTGZ-UHFFFAOYSA-N 1 1 425.558 2.377 50 0 IEAAMO O=C(Cn1cc(C(F)(F)F)cc(Cl)c1=O)NCC[NH+]1CCN(c2ccccc2)CC1 ZINC000048263921 557050563 /nfs/dbraw/zinc/05/05/63/557050563.db2.gz HGDZTOUDIKNZJU-UHFFFAOYSA-N 1 1 442.869 2.459 50 0 IEAAMO COc1ccc(NC(=O)NC[C@@H]([C@@H]2CCOC2)[NH+]2CCOCC2)cc1N1CCCCC1=O ZINC000048302350 557063297 /nfs/dbraw/zinc/06/32/97/557063297.db2.gz JYKPKCZEYJCOHV-XLIONFOSSA-N 1 1 446.548 2.071 50 0 IEAAMO Cc1[nH+]ccn1-c1cc(CNC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccccc2)ccn1 ZINC000048362618 557074599 /nfs/dbraw/zinc/07/45/99/557074599.db2.gz NJGLOZXNYPXEEF-IBGZPJMESA-N 1 1 425.514 2.045 50 0 IEAAMO O=C(c1ccccc1)C1CCN(C(=O)[C@H]2CCC(=O)N(CCC[NH+]3CCOCC3)C2)CC1 ZINC000023339583 557085492 /nfs/dbraw/zinc/08/54/92/557085492.db2.gz PXXORSXRMPBFLA-QFIPXVFZSA-N 1 1 441.572 2.069 50 0 IEAAMO Cc1noc(C)c1C(=O)N1CCC[C@H]([NH+]2CCN(Cc3ccc4c(c3)OCO4)CC2)C1 ZINC000023375120 557088841 /nfs/dbraw/zinc/08/88/41/557088841.db2.gz DZWZMMONRWDSIX-IBGZPJMESA-N 1 1 426.517 2.443 50 0 IEAAMO COc1ccc(CNC(=O)Cn2c(C)nc3c(c2=O)C[N@@H+](Cc2ccccc2)CC3)cc1 ZINC000049400818 557096268 /nfs/dbraw/zinc/09/62/68/557096268.db2.gz QHNZCQWXIKNTEN-UHFFFAOYSA-N 1 1 432.524 2.435 50 0 IEAAMO CCN(CC)S(=O)(=O)c1cccc(C(=O)NCC2([NH+]3CCOCC3)CCCCC2)c1 ZINC000023703104 557108157 /nfs/dbraw/zinc/10/81/57/557108157.db2.gz HDXXEWWZLABKEM-UHFFFAOYSA-N 1 1 437.606 2.482 50 0 IEAAMO COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NC2CC[NH+](CC(N)=O)CC2)cc1 ZINC000010958801 557156755 /nfs/dbraw/zinc/15/67/55/557156755.db2.gz SMVNDCXCJVHAFR-UHFFFAOYSA-N 1 1 433.512 2.227 50 0 IEAAMO O=C(CSC(F)(F)F)NC1CC[NH+]([C@H]2CC(=O)N(Cc3ccccc3)C2=O)CC1 ZINC000100836954 557191012 /nfs/dbraw/zinc/19/10/12/557191012.db2.gz JWUYUANMBHNWCK-HNNXBMFYSA-N 1 1 429.464 2.148 50 0 IEAAMO O=C(CN1C(=O)N[C@@]2(CCCc3sccc32)C1=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000014136578 557309141 /nfs/dbraw/zinc/30/91/41/557309141.db2.gz OYTYVVSYRXIYDM-HSZRJFAPSA-N 1 1 438.553 2.176 50 0 IEAAMO COc1ccc(NC(=O)c2nnc(COCC(=O)NCC[N@H+]3CCCC[C@@H]3C)s2)cc1 ZINC000032987409 557321926 /nfs/dbraw/zinc/32/19/26/557321926.db2.gz PVGJRONNOMNPPN-HNNXBMFYSA-N 1 1 447.561 2.306 50 0 IEAAMO CCN1CC[NH+](CCCNC(=O)CCCc2nnc(C(=O)Nc3ccccc3)s2)CC1 ZINC000032995313 557321962 /nfs/dbraw/zinc/32/19/62/557321962.db2.gz WRTPSICPNRQKKF-UHFFFAOYSA-N 1 1 444.605 2.257 50 0 IEAAMO CC[N@H+]1CCC[C@H]1CNC(=O)C1CCC(CNS(=O)(=O)c2ccc(OC)cc2)CC1 ZINC000013732392 557388203 /nfs/dbraw/zinc/38/82/03/557388203.db2.gz NSJGEXWTVXFQHP-ACBHZAAOSA-N 1 1 437.606 2.380 50 0 IEAAMO O=C(NCCC[NH+]1CCOCC1)[C@@H]1Cc2ccccc2N2CCN(c3ccccc3)C[C@H]12 ZINC000104920098 557465792 /nfs/dbraw/zinc/46/57/92/557465792.db2.gz ZRSYTJLJVMBORX-ILBGXUMGSA-N 1 1 434.584 2.393 50 0 IEAAMO CN1C(=O)C[C@H](NC(=O)CC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)[C@H]1c1ccc(F)cc1 ZINC000225402700 557718793 /nfs/dbraw/zinc/71/87/93/557718793.db2.gz GMIIKJXLKADGCD-GHTZIAJQSA-N 1 1 448.539 2.157 50 0 IEAAMO CCc1ccc(-c2cc3c(=O)n(CC(=O)NCC[N@H+]4CCCC[C@@H]4C)nc(C)n3n2)cc1 ZINC000009727761 562976188 /nfs/dbraw/zinc/97/61/88/562976188.db2.gz JHOXGOMPOVDURK-KRWDZBQOSA-N 1 1 436.560 2.419 50 0 IEAAMO CN(CC(=O)N1CC[NH+](Cc2ccccc2)CC1)C(=O)Cc1ccc(N2CCCC2=O)cc1 ZINC000012616030 568755076 /nfs/dbraw/zinc/75/50/76/568755076.db2.gz FNODERFITNAMAB-UHFFFAOYSA-N 1 1 448.567 2.159 50 0 IEAAMO O=C(CCc1nnc2ccc(N3CCCCC3)nn21)NC[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000015678893 568805457 /nfs/dbraw/zinc/80/54/57/568805457.db2.gz DVWLSWSIFJVMKQ-GOSISDBHSA-N 1 1 425.581 2.428 50 0 IEAAMO COc1ccc(CNC(=O)[C@@H](CCSC)NC(=O)[C@H]2Cc3ccccc3C[NH2+]2)cc1 ZINC000015967663 568861193 /nfs/dbraw/zinc/86/11/93/568861193.db2.gz SVLBGGTVMQBQQR-NHCUHLMSSA-N 1 1 427.570 2.264 50 0 IEAAMO C[C@@H]1CN(c2ccccc2NC(=O)NC[C@H]([C@@H]2CCOC2)[NH+]2CCOCC2)C[C@H](C)O1 ZINC000229832472 568886998 /nfs/dbraw/zinc/88/69/98/568886998.db2.gz LUFGJCYDKIZVBV-VQQMMKBISA-N 1 1 432.565 2.159 50 0 IEAAMO C[N@H+]1CCN(CCNC(=O)Nc2cccc(Cn3cccnc3=O)c2)[C@@H](c2ccccc2)C1 ZINC000229831654 568887094 /nfs/dbraw/zinc/88/70/94/568887094.db2.gz VCNVMTWQYLMNPQ-HSZRJFAPSA-N 1 1 446.555 2.402 50 0 IEAAMO COc1ccc(N2C(=O)[C@@H]3[C@@H]4CCC[N@H+]4[C@]4(c5ccccc5NC4=O)[C@H]3C2=O)cc1OC ZINC000245226017 568912861 /nfs/dbraw/zinc/91/28/61/568912861.db2.gz DMYOOPSREMVGOU-FROCWPDGSA-N 1 1 433.464 2.135 50 0 IEAAMO Cc1cc2c(c(Cl)c1)NC(=O)[C@@]21[NH2+][C@H]([C@H](C)O)[C@H]2C(=O)N(C3CCCCCC3)C(=O)[C@H]21 ZINC000245324835 568914831 /nfs/dbraw/zinc/91/48/31/568914831.db2.gz AGIHIDZNRIRCTO-BFFGJUFNSA-N 1 1 445.947 2.472 50 0 IEAAMO Cn1cnc2c1c1cc(S(=O)(=O)N3CC[NH+](C4CCCCC4)CC3)ccc1oc2=O ZINC000036075311 568946407 /nfs/dbraw/zinc/94/64/07/568946407.db2.gz YTSVAGSDCGAMPC-UHFFFAOYSA-N 1 1 430.530 2.319 50 0 IEAAMO CCOC(=O)c1sc2[nH]c(C[N@H+](C[C@@H](O)COC(C)C)C(C)C)nc(=O)c2c1C ZINC000036206657 568972808 /nfs/dbraw/zinc/97/28/08/568972808.db2.gz JMBLSDYLVRGLMR-CQSZACIVSA-N 1 1 425.551 2.466 50 0 IEAAMO CCOC(=O)c1sc2[nH]c(C[N@@H+](C[C@@H](O)COC(C)C)C(C)C)nc(=O)c2c1C ZINC000036206657 568972809 /nfs/dbraw/zinc/97/28/09/568972809.db2.gz JMBLSDYLVRGLMR-CQSZACIVSA-N 1 1 425.551 2.466 50 0 IEAAMO COCCN(C[C@H]1C[N@H+](C[C@@H](O)Cc2ccccc2)CCO1)C(=O)c1cccc(F)c1 ZINC000169680489 568992075 /nfs/dbraw/zinc/99/20/75/568992075.db2.gz SFBNGIZDCXSZTN-XZOQPEGZSA-N 1 1 430.520 2.219 50 0 IEAAMO COCCN(C[C@H]1C[N@@H+](C[C@@H](O)Cc2ccccc2)CCO1)C(=O)c1cccc(F)c1 ZINC000169680489 568992077 /nfs/dbraw/zinc/99/20/77/568992077.db2.gz SFBNGIZDCXSZTN-XZOQPEGZSA-N 1 1 430.520 2.219 50 0 IEAAMO C[C@@H]1CCCC[N@H+]1CCNC(=O)C(=O)Nc1ccc2nc3n(c(=O)c2c1)CCCCC3 ZINC000006808362 568997188 /nfs/dbraw/zinc/99/71/88/568997188.db2.gz XBMUSEQNPVPDQN-MRXNPFEDSA-N 1 1 425.533 2.052 50 0 IEAAMO CC[NH+]1CCN(c2cc3c(cc2S(=O)(=O)N(C)C)C(=O)Nc2ccccc2O3)CC1 ZINC000064986531 569082276 /nfs/dbraw/zinc/08/22/76/569082276.db2.gz KFBDASHIQFUPCH-UHFFFAOYSA-N 1 1 430.530 2.437 50 0 IEAAMO O=C(NCCC[NH+]1CCOCC1)[C@H]1CCCN(c2ncc(-c3cccc(F)c3)cn2)C1 ZINC000065023594 569089361 /nfs/dbraw/zinc/08/93/61/569089361.db2.gz UFSGHSMGNSCKEO-IBGZPJMESA-N 1 1 427.524 2.338 50 0 IEAAMO CNC(=O)Cc1csc(NC(=O)C2CC[NH+](CC(=O)Nc3ccc(C)cc3C)CC2)n1 ZINC000036709259 569136272 /nfs/dbraw/zinc/13/62/72/569136272.db2.gz VQIOLWPOOQFANS-UHFFFAOYSA-N 1 1 443.573 2.338 50 0 IEAAMO CC[C@@H]1CN(C(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@@H]32)[C@@H](CC)C[N@H+]1CC(C)(C)O ZINC000170606128 569143866 /nfs/dbraw/zinc/14/38/66/569143866.db2.gz YXOZWGLXNJJPNC-NSOKGPEJSA-N 1 1 440.654 2.185 50 0 IEAAMO COC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccccc2C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000170617469 569147384 /nfs/dbraw/zinc/14/73/84/569147384.db2.gz RXRSZPVQDWBWOC-GOSISDBHSA-N 1 1 445.541 2.280 50 0 IEAAMO O=C(CCCNC(=O)NC1CCCCC1)N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000089834877 569165304 /nfs/dbraw/zinc/16/53/04/569165304.db2.gz NPHAJZFYFPBXQX-IFMALSPDSA-N 1 1 430.593 2.398 50 0 IEAAMO O=C(CN(C1CC1)S(=O)(=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1)NCc1cccs1 ZINC000089834895 569165310 /nfs/dbraw/zinc/16/53/10/569165310.db2.gz KAWLSMBYFQBENE-FQEVSTJZSA-N 1 1 433.599 2.433 50 0 IEAAMO CC[NH+]1CCN(C(=O)Cn2c3cc(Cl)ccc3c(=O)n(-c3cccc(C)c3)c2=O)CC1 ZINC000037399495 569194577 /nfs/dbraw/zinc/19/45/77/569194577.db2.gz RBYXCUOBLSRXRK-UHFFFAOYSA-N 1 1 440.931 2.278 50 0 IEAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)CC[C@H]1NC(=O)N(CCc2c[nH]c3ccccc23)C1=O ZINC000223237453 569259100 /nfs/dbraw/zinc/25/91/00/569259100.db2.gz YLYGPNWDUGLILD-YLJYHZDGSA-N 1 1 425.533 2.012 50 0 IEAAMO COc1cc2nc(C)n(CC(=O)N(C)C[C@@H]3CCC[N@H+]4CCCC[C@H]34)c(=O)c2cc1OC ZINC000253412854 569265967 /nfs/dbraw/zinc/26/59/67/569265967.db2.gz SGHWWTFCETYYNJ-FXAWDEMLSA-N 1 1 442.560 2.445 50 0 biogenic IEAAMO COc1ccc([C@@H](CC(=O)NCCC[NH+](C)C)c2c(O)cc(C)oc2=O)c(OC)c1OC ZINC000253412949 569266024 /nfs/dbraw/zinc/26/60/24/569266024.db2.gz SOQQPVJKWMATGD-MRXNPFEDSA-N 1 1 448.516 2.270 50 0 biogenic IEAAMO COc1ccc(CN2C(=O)N[C@@H](CC(=O)N(C)C[C@@H]3CCC[N@H+]4CCCC[C@H]34)C2=O)cc1 ZINC000253414904 569266273 /nfs/dbraw/zinc/26/62/73/569266273.db2.gz ZAIMGDOCCDXKAV-SESVDKBCSA-N 1 1 442.560 2.229 50 0 biogenic IEAAMO COC(=O)C[C@@H](c1oc(C[N@@H+]2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc(=O)c1O)C(C)C ZINC000225413157 569299194 /nfs/dbraw/zinc/29/91/94/569299194.db2.gz WAWOTHXNLZPALE-SOLBZPMBSA-N 1 1 442.512 2.429 50 0 biogenic IEAAMO COC(=O)C[C@@H](c1oc(C[N@H+]2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc(=O)c1O)C(C)C ZINC000225413157 569299195 /nfs/dbraw/zinc/29/91/95/569299195.db2.gz WAWOTHXNLZPALE-SOLBZPMBSA-N 1 1 442.512 2.429 50 0 biogenic IEAAMO CC[NH+]1CCN(C(=O)Cc2ccc(NC(=O)CCNC(=O)Cc3ccccc3)cc2)CC1 ZINC000079025390 569322819 /nfs/dbraw/zinc/32/28/19/569322819.db2.gz FWETVEWXDFLDMD-UHFFFAOYSA-N 1 1 436.556 2.081 50 0 IEAAMO COc1cc2nc(C)n(CC(=O)NC[C@@H]3CCC[N@H+]4CCCC[C@H]34)c(=O)c2cc1OC ZINC000079193967 569328224 /nfs/dbraw/zinc/32/82/24/569328224.db2.gz RBDDPMLASARJKQ-QFBILLFUSA-N 1 1 428.533 2.103 50 0 biogenic IEAAMO CC(=O)N1CCc2cc(S(=O)(=O)CCC(=O)N3CC[NH+](C4CCCCC4)CC3)ccc21 ZINC000020209431 569356019 /nfs/dbraw/zinc/35/60/19/569356019.db2.gz RWESQTKGANWQEG-UHFFFAOYSA-N 1 1 447.601 2.236 50 0 IEAAMO O[C@H](COc1cccc(C[NH+]2CCN(Cc3cccc(F)c3)CC2)c1)CN1CCOCC1 ZINC000020406348 569363877 /nfs/dbraw/zinc/36/38/77/569363877.db2.gz CVDONCXDFGWSON-DEOSSOPVSA-N 1 1 443.563 2.215 50 0 IEAAMO CC[NH+]1CCN(C(=O)Cn2ncc3c(C)n(Cc4ccccc4F)c(C)c3c2=O)CC1 ZINC000020417429 569364929 /nfs/dbraw/zinc/36/49/29/569364929.db2.gz FBHFQLVKYABJDQ-UHFFFAOYSA-N 1 1 425.508 2.166 50 0 IEAAMO O=C(C[C@@H](Cn1cnnn1)c1ccc(Cl)cc1)N1CC[NH+](CCc2ccncc2)CC1 ZINC000095480214 569373796 /nfs/dbraw/zinc/37/37/96/569373796.db2.gz HALNVVHGIFIFNR-FQEVSTJZSA-N 1 1 439.951 2.282 50 0 IEAAMO C[NH+]1CCN(C(=O)[C@@H]2CCc3ccccc3N2S(=O)(=O)c2ccc(F)c(F)c2)CC1 ZINC000095949705 569376585 /nfs/dbraw/zinc/37/65/85/569376585.db2.gz KJWADIQAUHKUOV-FQEVSTJZSA-N 1 1 435.496 2.249 50 0 IEAAMO CC(C)(C[N@@H+]1CCn2ccnc2C1)C(=O)NC[C@H](c1ccc(F)cc1)N1CCOCC1 ZINC000095992962 569378383 /nfs/dbraw/zinc/37/83/83/569378383.db2.gz QLAKDDKLPGRDTE-HXUWFJFHSA-N 1 1 429.540 2.054 50 0 IEAAMO CC(C)(C[N@H+]1CCn2ccnc2C1)C(=O)NC[C@H](c1ccc(F)cc1)N1CCOCC1 ZINC000095992962 569378384 /nfs/dbraw/zinc/37/83/84/569378384.db2.gz QLAKDDKLPGRDTE-HXUWFJFHSA-N 1 1 429.540 2.054 50 0 IEAAMO O=C(NC1(C(=O)NCCc2cccnc2)CC[NH+](Cc2ccccc2)CC1)C(F)(F)F ZINC000095997749 569379054 /nfs/dbraw/zinc/37/90/54/569379054.db2.gz SFDBJIWKQQFEJC-UHFFFAOYSA-N 1 1 434.462 2.454 50 0 IEAAMO CCOCCN1[NH+]=C(C)[C@H](C)n2c1nc1c2c(=O)n(C/C=C\c2ccccc2)c(=O)n1C ZINC000096019521 569380280 /nfs/dbraw/zinc/38/02/80/569380280.db2.gz AOQNCFHJAISHNK-GKUQOKNUSA-N 1 1 436.516 2.404 50 0 IEAAMO O=C(C1CCN(c2nc3nc[nH]c(=O)c3s2)CC1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000096331589 569396429 /nfs/dbraw/zinc/39/64/29/569396429.db2.gz VUOPZOCWNAJTEY-UHFFFAOYSA-N 1 1 438.557 2.353 50 0 IEAAMO CN(C[C@@H]1CCC[N@H+]2CCCC[C@@H]12)C(=O)[C@H]1CC(=O)N(Cc2ccc3c(c2)OCO3)C1 ZINC000299754458 569409094 /nfs/dbraw/zinc/40/90/94/569409094.db2.gz QRSFJDJBEBPKDB-UFYCRDLUSA-N 1 1 427.545 2.487 50 0 biogenic IEAAMO O=S(=O)(N[C@@H]1C2CN3CC1(c1ccccc1)C[N@@H+](C2)CC3)c1ccc(F)cc1Cl ZINC000670439687 569447870 /nfs/dbraw/zinc/44/78/70/569447870.db2.gz CDBUJWIMEAIWJF-VZDHWGDASA-N 1 1 435.952 2.325 50 0 IEAAMO C[C@@H](CNC(=O)CN1C(=O)N[C@](C)(c2ccc(F)cc2)C1=O)[N@@H+]1CCc2sccc2C1 ZINC000031961977 569458602 /nfs/dbraw/zinc/45/86/02/569458602.db2.gz IPMUXLVCCSLNEH-RCDICMHDSA-N 1 1 444.532 2.217 50 0 IEAAMO C[C@@H](CNC(=O)CN1C(=O)N[C@](C)(c2ccc(F)cc2)C1=O)[N@H+]1CCc2sccc2C1 ZINC000031961977 569458603 /nfs/dbraw/zinc/45/86/03/569458603.db2.gz IPMUXLVCCSLNEH-RCDICMHDSA-N 1 1 444.532 2.217 50 0 IEAAMO O=C(CCC(=O)NC1CCCCCC1)N[C@H]1C2CN3CC1(c1ccccc1)C[N@@H+](C2)CC3 ZINC000670460044 569460627 /nfs/dbraw/zinc/46/06/27/569460627.db2.gz GTYRKPYTBDEBBZ-FQKSQLJCSA-N 1 1 438.616 2.289 50 0 IEAAMO COc1ccc(OCC[NH+]2CCN([C@@H](C)C(=O)NCc3ccc4c(c3)OCO4)CC2)cc1 ZINC000032512093 569461905 /nfs/dbraw/zinc/46/19/05/569461905.db2.gz DRMMDDCANFHENT-SFHVURJKSA-N 1 1 441.528 2.125 50 0 IEAAMO CC[NH+]1CCN(c2nc3ncn(CC(=O)Nc4ccc5c(c4)CCC5)c(=O)c3s2)CC1 ZINC000067225995 569465206 /nfs/dbraw/zinc/46/52/06/569465206.db2.gz BFJFKUDLZJFBPM-UHFFFAOYSA-N 1 1 438.557 2.122 50 0 IEAAMO CCOC(=O)C1=C(C[NH+]2CCCCC2)NC(=O)N[C@H]1c1cc(OC)c(OC)cc1OC ZINC000067287366 569467256 /nfs/dbraw/zinc/46/72/56/569467256.db2.gz USXIPNHDXDDRHW-FQEVSTJZSA-N 1 1 433.505 2.369 50 0 IEAAMO COc1cccc(N2C(=O)C[C@@H]([NH+]3CCC(n4nnc(-c5cccs5)n4)CC3)C2=O)c1 ZINC000008694541 569470091 /nfs/dbraw/zinc/47/00/91/569470091.db2.gz IKWSLUQTVLFFPL-QGZVFWFLSA-N 1 1 438.513 2.379 50 0 IEAAMO COCCN1[NH+]=C(C)[C@H](C)n2c1nc1c2c(=O)n(Cc2cccc(Cl)c2)c(=O)n1C ZINC000008724556 569472029 /nfs/dbraw/zinc/47/20/29/569472029.db2.gz YRWWQZFFZIHZNI-ZDUSSCGKSA-N 1 1 430.896 2.002 50 0 IEAAMO C[N@H+](CC(=O)N1CCN(C(=O)c2cccs2)CC1)Cc1ccccc1N1CCOCC1 ZINC000008780392 569475626 /nfs/dbraw/zinc/47/56/26/569475626.db2.gz HXPRYGCQMZFSHB-UHFFFAOYSA-N 1 1 442.585 2.001 50 0 IEAAMO C[N@@H+](CC(=O)N1CCN(C(=O)c2cccs2)CC1)Cc1ccccc1N1CCOCC1 ZINC000008780392 569475627 /nfs/dbraw/zinc/47/56/27/569475627.db2.gz HXPRYGCQMZFSHB-UHFFFAOYSA-N 1 1 442.585 2.001 50 0 IEAAMO Cc1ccc(S(=O)(=O)N2CCN(C(=O)C[N@@H+]3CCC[C@H]3c3cccn3C)CC2)cc1 ZINC000008922838 569486991 /nfs/dbraw/zinc/48/69/91/569486991.db2.gz DEQHPUWMVLKJDK-NRFANRHFSA-N 1 1 430.574 2.004 50 0 IEAAMO C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)C1 ZINC000040112313 569488938 /nfs/dbraw/zinc/48/89/38/569488938.db2.gz IEJYEOIJVZZUKF-QGZVFWFLSA-N 1 1 428.558 2.032 50 0 IEAAMO CC[NH+]1CCN(C(=O)[C@H]2CCCN(C(=O)c3cc(-c4ccccc4OC)on3)C2)CC1 ZINC000040391666 569501141 /nfs/dbraw/zinc/50/11/41/569501141.db2.gz PHRNFLJAYGNJTB-KRWDZBQOSA-N 1 1 426.517 2.367 50 0 IEAAMO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)Cn2ncn3nc(-c4cccs4)cc3c2=O)C1 ZINC000009287349 569519248 /nfs/dbraw/zinc/51/92/48/569519248.db2.gz VKDMLIRGFGMQOT-IYBDPMFKSA-N 1 1 428.562 2.104 50 0 IEAAMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)Cn1ncn2nc(-c3cccs3)cc2c1=O ZINC000009287338 569519253 /nfs/dbraw/zinc/51/92/53/569519253.db2.gz HWNSDSNRSPJFFW-MRXNPFEDSA-N 1 1 428.562 2.390 50 0 IEAAMO O=C(CNC(=O)[C@@H]1c2ccccc2C(=O)N1C1CC1)NCCC[N@H+]1CCc2ccccc2C1 ZINC000070005864 569527815 /nfs/dbraw/zinc/52/78/15/569527815.db2.gz QMSTUJBKXSAZAY-DEOSSOPVSA-N 1 1 446.551 2.027 50 0 IEAAMO CCN1CC[NH+](Cc2ccc(NC(=O)CN3C(=O)CSc4ncccc43)cc2)CC1 ZINC000020415182 569587128 /nfs/dbraw/zinc/58/71/28/569587128.db2.gz SANFJVICLMKJFI-UHFFFAOYSA-N 1 1 425.558 2.297 50 0 IEAAMO NC(=[NH2+])NCCC[C@@H](NC(=O)[C@@H](N)Cc1ccccc1)C(=O)Nc1ccc2ccccc2c1 ZINC000027738228 569587313 /nfs/dbraw/zinc/58/73/13/569587313.db2.gz ZNHUFUZDUQRKBB-FCHUYYIVSA-N 1 1 446.555 2.096 50 0 IEAAMO Cc1ccc(S(=O)(=O)Nc2cc(C(=O)N3CCCC3)cnc2N2CC[NH2+]CC2)c(C)c1 ZINC000033278262 569587409 /nfs/dbraw/zinc/58/74/09/569587409.db2.gz GWTJQEJYWQVDRM-UHFFFAOYSA-N 1 1 443.573 2.145 50 0 IEAAMO C[C@@H]1CCCC[N@H+]1CCNC(=O)CN1CCN(C(=O)Nc2ccc(Cl)cc2)CC1=O ZINC000035537185 569587669 /nfs/dbraw/zinc/58/76/69/569587669.db2.gz NPAHZYMGBHNBBD-MRXNPFEDSA-N 1 1 435.956 2.007 50 0 IEAAMO CCOc1cc(N2CCOCC2)c(OCC)cc1N[C@H](C)C(=O)N1CC[NH+](CC)CC1 ZINC000005902891 132275730 /nfs/dbraw/zinc/27/57/30/132275730.db2.gz MHWPGOMUXOUQNJ-GOSISDBHSA-N 1 1 434.581 2.285 50 0 IEAAMO CCc1cc(N2CC[NH+](C)CC2)nc(SCc2cccc(C(=O)NCCOC)c2)n1 ZINC000006695729 132278216 /nfs/dbraw/zinc/27/82/16/132278216.db2.gz BYPAWKDFPFWECR-UHFFFAOYSA-N 1 1 429.590 2.459 50 0 IEAAMO C[C@H]1CC(C)(C)NC(=S)N1CC(=O)NCCC[NH+]1CCN(c2ccccc2F)CC1 ZINC000008659923 132289345 /nfs/dbraw/zinc/28/93/45/132289345.db2.gz YYGGVHMNVYIUPU-KRWDZBQOSA-N 1 1 435.613 2.201 50 0 IEAAMO CC(=O)N1CCCc2cc(S(=O)(=O)NC[C@H](c3ccc4c(c3)OCO4)[NH+](C)C)ccc21 ZINC000012196881 519563186 /nfs/dbraw/zinc/56/31/86/519563186.db2.gz SVXVQOOKQKKIMT-HXUWFJFHSA-N 1 1 445.541 2.296 50 0 IEAAMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)CCc2nc3sc4c(c3c(=O)[nH]2)CCCC4)C1 ZINC000022382318 519728859 /nfs/dbraw/zinc/72/88/59/519728859.db2.gz IMDMYJJTWZFPDR-HNNXBMFYSA-N 1 1 432.590 2.269 50 0 IEAAMO CCOC(=O)C1CC[NH+]([C@H](c2cccnc2)c2c(O)cc(C)n(CCOC)c2=O)CC1 ZINC000022697855 520582040 /nfs/dbraw/zinc/58/20/40/520582040.db2.gz VQFJVPKEJCIUGO-OAQYLSRUSA-N 1 1 429.517 2.268 50 0 IEAAMO CCCCOCC(O)C[NH+]1CCN(CCN2C(=O)c3cccc4cccc(c43)C2=O)CC1 ZINC000022802847 520807302 /nfs/dbraw/zinc/80/73/02/520807302.db2.gz IZVQLSNBASPZJP-HXUWFJFHSA-N 1 1 439.556 2.231 50 0 IEAAMO CCOC(=O)C[C@@H]1CCCCN1Cc1c(C(=O)N2CCC[N@@H+](C)CC2)nc2sccn12 ZINC000012302145 520852019 /nfs/dbraw/zinc/85/20/19/520852019.db2.gz MDKGVLBANXSNCE-KRWDZBQOSA-N 1 1 447.605 2.481 50 0 IEAAMO CC[N@H+]1CCC[C@H]1CNC(=O)c1nc(-c2ccc(S(=O)(=O)N3CCCCC3)cc2)no1 ZINC000035512918 521657092 /nfs/dbraw/zinc/65/70/92/521657092.db2.gz UKLFRZLKMVGNCA-KRWDZBQOSA-N 1 1 447.561 2.125 50 0 IEAAMO CCN1CC[NH+](CCCNC(=O)c2ccc(C)c(NC(=O)C3=CSCCO3)c2)CC1 ZINC000021019794 521681610 /nfs/dbraw/zinc/68/16/10/521681610.db2.gz OHUFNARVDIGLBS-UHFFFAOYSA-N 1 1 432.590 2.296 50 0 IEAAMO CCc1ccccc1NC(=O)Cn1cnc2nc(N3CC[NH+](CC)CC3)sc2c1=O ZINC000021886408 521883737 /nfs/dbraw/zinc/88/37/37/521883737.db2.gz ZCFDFWWMACORKV-UHFFFAOYSA-N 1 1 426.546 2.196 50 0 IEAAMO COc1cc(C[N@H+]2CCCC[C@@H]2CCn2cc(C(=O)NC3CC3)nn2)cc2c1OCO2 ZINC000012148874 522371633 /nfs/dbraw/zinc/37/16/33/522371633.db2.gz DCWQHEZAZLZEAJ-QGZVFWFLSA-N 1 1 427.505 2.352 50 0 IEAAMO COCc1ccc(C(=O)NCc2nnc3n2CC[N@H+](Cc2ccc(OC)cc2)CC3)o1 ZINC000012200677 522960547 /nfs/dbraw/zinc/96/05/47/522960547.db2.gz VLUWOBXHNKOEFP-UHFFFAOYSA-N 1 1 425.489 2.014 50 0 IEAAMO COCc1ccc(C(=O)NCc2nnc3n2CC[N@H+](Cc2cccc(OC)c2)CC3)o1 ZINC000012281641 522962125 /nfs/dbraw/zinc/96/21/25/522962125.db2.gz OHRNPGUIILEDGO-UHFFFAOYSA-N 1 1 425.489 2.014 50 0 IEAAMO CN1CC[NH+](CCCNC(=O)c2ccc(CN3C(=O)CSc4ncccc43)cc2)CC1 ZINC000021872484 523899782 /nfs/dbraw/zinc/89/97/82/523899782.db2.gz RTYLWRDERGQMQT-UHFFFAOYSA-N 1 1 439.585 2.088 50 0 IEAAMO COc1ccc(N2C[C@@H](NC(=O)N3CC[NH+](Cc4ccccc4)CC3)CC2=O)cc1OC ZINC000022664645 524445696 /nfs/dbraw/zinc/44/56/96/524445696.db2.gz OSFDSKYNKZOXAS-IBGZPJMESA-N 1 1 438.528 2.337 50 0 IEAAMO Cc1ccc(C[N@@H+]2CCc3nnc(CNS(=O)(=O)c4ccccc4)n3CC2)c(C)c1 ZINC000020450143 524476631 /nfs/dbraw/zinc/47/66/31/524476631.db2.gz QAGQKBTYPOFTGT-UHFFFAOYSA-N 1 1 425.558 2.432 50 0 IEAAMO COc1ccccc1N1CC[NH+](C[C@@H](O)COc2cc(OC)c(OC)c(OC)c2)CC1 ZINC000021982927 524557225 /nfs/dbraw/zinc/55/72/25/524557225.db2.gz KSQCNASWXSCJTD-QGZVFWFLSA-N 1 1 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COc1cc(C[NH2+]CCOc2cccnc2)ccc1OC[C@@H](O)CN1CCSCC1 ZINC000011817329 556359475 /nfs/dbraw/zinc/35/94/75/556359475.db2.gz ZSVKRWIMIMHLPO-IBGZPJMESA-N 1 1 433.574 2.047 50 0 IEAAMO C[N@H+]1CCC[C@@H]1CCNC(=O)c1ccc(OC2CCN(S(C)(=O)=O)CC2)c(Cl)c1 ZINC000012050530 556392148 /nfs/dbraw/zinc/39/21/48/556392148.db2.gz UCVIQUKAOHCOGQ-MRXNPFEDSA-N 1 1 443.997 2.357 50 0 IEAAMO C[C@@H](OCc1ccccc1)[C@@H]1NC(=O)[C@H]2C[N@H+](Cc3ccc4ncccc4c3)CCN2C1=O ZINC000014532387 556420987 /nfs/dbraw/zinc/42/09/87/556420987.db2.gz BMSXGSMQOQVQDJ-QFWMQHCXSA-N 1 1 444.535 2.351 50 0 IEAAMO C[C@@H](OCc1ccccc1)[C@@H]1NC(=O)[C@H]2C[N@@H+](Cc3ccc4ncccc4c3)CCN2C1=O ZINC000014532387 556420988 /nfs/dbraw/zinc/42/09/88/556420988.db2.gz BMSXGSMQOQVQDJ-QFWMQHCXSA-N 1 1 444.535 2.351 50 0 IEAAMO COC(=O)CCNC(=O)c1nn(CC2CC2)c2c1C[N@H+](Cc1ccc(OC)cc1)CC2 ZINC000014531993 556421001 /nfs/dbraw/zinc/42/10/01/556421001.db2.gz MEQBOGHZYXQWGB-UHFFFAOYSA-N 1 1 426.517 2.153 50 0 IEAAMO COC(=O)CCNC(=O)c1nn(CC2CC2)c2c1C[N@@H+](Cc1ccc(OC)cc1)CC2 ZINC000014531993 556421002 /nfs/dbraw/zinc/42/10/02/556421002.db2.gz MEQBOGHZYXQWGB-UHFFFAOYSA-N 1 1 426.517 2.153 50 0 IEAAMO COc1ccc(C[N@@H+]2CCc3nnc(CCNC(=O)c4ccco4)n3CC2)c(OC)c1C ZINC000014881523 556453799 /nfs/dbraw/zinc/45/37/99/556453799.db2.gz DYXCTQKVPQVOKH-UHFFFAOYSA-N 1 1 439.516 2.228 50 0 IEAAMO CCC[N@H+]1C[C@@H](n2cc(C(=O)OC)nn2)C[C@H]1C(=O)NCc1cccc(C(F)(F)F)c1 ZINC000014885638 556455155 /nfs/dbraw/zinc/45/51/55/556455155.db2.gz VITPPCHQRXCLHW-RDJZCZTQSA-N 1 1 439.438 2.425 50 0 IEAAMO Cn1c2ccc(CNCc3ccccc3OC[C@H](O)C[NH+]3CCCCC3)cc2n(C)c1=O ZINC000014952651 556461201 /nfs/dbraw/zinc/46/12/01/556461201.db2.gz NYDHWBLBGHDGJE-OAQYLSRUSA-N 1 1 438.572 2.392 50 0 IEAAMO CC[NH+]1CCN(C(=O)c2cnn(-c3nccc(-c4cc(OC)ccc4OC)n3)c2C)CC1 ZINC000014970671 556467011 /nfs/dbraw/zinc/46/70/11/556467011.db2.gz QINADLVVDODLEC-UHFFFAOYSA-N 1 1 436.516 2.433 50 0 IEAAMO CC[C@H]1C[N@H+](CCNC(=O)c2ccc(Cn3cnnn3)cc2)Cc2cc(OC)ccc2O1 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OBOOPEQELRRVBS-FQEVSTJZSA-N 1 1 429.561 2.043 50 0 IEAAMO CCOC(=O)Cn1c(=O)c2c3c(sc2n(CC[NH+]2CCCCC2)c1=O)COC(C)(C)C3 ZINC000013593681 556531611 /nfs/dbraw/zinc/53/16/11/556531611.db2.gz HNWWQGOOKHKLFU-UHFFFAOYSA-N 1 1 449.573 2.125 50 0 IEAAMO COc1ccc(S(=O)(=O)N2CCN(c3cc(N4CCCC4)nc(C)[nH+]3)CC2)cc1C ZINC000015671258 556542137 /nfs/dbraw/zinc/54/21/37/556542137.db2.gz HUTPFZFXXOZREC-UHFFFAOYSA-N 1 1 431.562 2.213 50 0 IEAAMO O=C(NCCC[NH+]1CCOCC1)C1(c2ccc(NS(=O)(=O)c3ccccc3)cc2)CC1 ZINC000033115430 556555520 /nfs/dbraw/zinc/55/55/20/556555520.db2.gz BJXZMZBJZKFPNO-UHFFFAOYSA-N 1 1 443.569 2.358 50 0 IEAAMO C[C@@H](C(=O)NCCC[NH+]1CCN(C)CC1)C1CCN(C(=O)c2cc3ccccc3[nH]2)CC1 ZINC000022938620 556581419 /nfs/dbraw/zinc/58/14/19/556581419.db2.gz WKSAEULKUMFDRS-LJQANCHMSA-N 1 1 439.604 2.410 50 0 IEAAMO Cc1ccc(NC(=O)c2nnc(CCCC(=O)NCCC[NH+]3CCN(C)CC3)s2)cc1 ZINC000032995146 556609954 /nfs/dbraw/zinc/60/99/54/556609954.db2.gz HMBLFQQOCSYNMX-UHFFFAOYSA-N 1 1 444.605 2.175 50 0 IEAAMO 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436.512 2.196 50 0 biogenic IEAAMO CC(=O)N1CCN(c2nc3c(s2)C[C@@H](C(=O)NCC[N@H+](C)C2CCCCC2)CC3)CC1 ZINC000065273435 569129533 /nfs/dbraw/zinc/12/95/33/569129533.db2.gz YYHARPBNGYVMBW-SFHVURJKSA-N 1 1 447.649 2.297 50 0 IEAAMO COCCn1c2ccccc2n2nc(C(=O)NCC[N@@H+]3CCc4ccccc4C3)cc2c1=O ZINC000065292500 569130775 /nfs/dbraw/zinc/13/07/75/569130775.db2.gz XJQGYQSYEKJCTM-UHFFFAOYSA-N 1 1 445.523 2.084 50 0 IEAAMO COCCn1c2ccccc2n2nc(C(=O)NCC[N@H+]3CCc4ccccc4C3)cc2c1=O ZINC000065292500 569130777 /nfs/dbraw/zinc/13/07/77/569130777.db2.gz XJQGYQSYEKJCTM-UHFFFAOYSA-N 1 1 445.523 2.084 50 0 IEAAMO O=C(CN(C1CC1)S(=O)(=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)NCc1cccs1 ZINC000089834896 569165335 /nfs/dbraw/zinc/16/53/35/569165335.db2.gz KAWLSMBYFQBENE-HXUWFJFHSA-N 1 1 433.599 2.433 50 0 IEAAMO C[C@@H]1CN(C(C)(C)CNC(=O)[C@@H]2CCC[N@H+]2C2CCN(CC(F)(F)F)CC2)C[C@H](C)O1 ZINC000089930283 569167938 /nfs/dbraw/zinc/16/79/38/569167938.db2.gz UTMUAUSLRHSIGY-SCTDSRPQSA-N 1 1 448.574 2.482 50 0 IEAAMO CCN(c1ccccc1)S(=O)(=O)c1ccc(N2CCN(c3[nH+]ccn3C)CC2)nc1 ZINC000089969576 569169418 /nfs/dbraw/zinc/16/94/18/569169418.db2.gz NAQMXOBDAYWRSQ-UHFFFAOYSA-N 1 1 426.546 2.357 50 0 IEAAMO O=C(NCCCC[N@@H+]1CCO[C@@H](c2ccccc2)C1)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000017178444 569175525 /nfs/dbraw/zinc/17/55/25/569175525.db2.gz CASWJGHCFNKICO-JOCHJYFZSA-N 1 1 439.512 2.366 50 0 IEAAMO O=C(NCCCC[N@H+]1CCO[C@@H](c2ccccc2)C1)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000017178444 569175526 /nfs/dbraw/zinc/17/55/26/569175526.db2.gz CASWJGHCFNKICO-JOCHJYFZSA-N 1 1 439.512 2.366 50 0 IEAAMO COc1ccc(CN2C(=O)N[C@H](CCC(=O)NC[C@@H]3CCC[N@H+]4CCCC[C@H]34)C2=O)cc1 ZINC000252527440 569189610 /nfs/dbraw/zinc/18/96/10/569189610.db2.gz COUDQRFTXJAGAO-CEWLAPEOSA-N 1 1 442.560 2.481 50 0 IEAAMO CC(=O)N1CCC(C(=O)N2CCC3(CC2)C[C@@H](N2CC[NH+](CC(C)C)CC2)CCO3)CC1 ZINC000581819795 569211614 /nfs/dbraw/zinc/21/16/14/569211614.db2.gz LLJIGXDWOKAAMF-QHCPKHFHSA-N 1 1 448.652 2.059 50 0 IEAAMO COc1cc([C@H](CC(N)=O)c2oc(C[NH+]3CCCCC3)cc(=O)c2O)cc(OC)c1OC ZINC000253409553 569265603 /nfs/dbraw/zinc/26/56/03/569265603.db2.gz MAFMZMVXSDEJBH-INIZCTEOSA-N 1 1 446.500 2.364 50 0 biogenic IEAAMO COc1ccc([C@H](CC(=O)NCCC[NH+](C)C)c2c(O)cc(C)oc2=O)c(OC)c1OC ZINC000253412948 569265958 /nfs/dbraw/zinc/26/59/58/569265958.db2.gz SOQQPVJKWMATGD-INIZCTEOSA-N 1 1 448.516 2.270 50 0 biogenic IEAAMO CN(C[C@@H]1CCC[N@H+]2CCCC[C@H]12)C(=O)C[C@@H]1NC(=O)N(CCc2ccccc2)C1=O ZINC000253414337 569266155 /nfs/dbraw/zinc/26/61/55/569266155.db2.gz XDWSWPFQNRNHEG-PCCBWWKXSA-N 1 1 426.561 2.263 50 0 biogenic IEAAMO O=C(Nc1ccc2[nH]c(CC[NH+]3CCOCC3)nc2c1)c1cn(-c2ccc(F)cc2)nn1 ZINC000078732776 569318724 /nfs/dbraw/zinc/31/87/24/569318724.db2.gz MPZOJNLGVFHVEV-UHFFFAOYSA-N 1 1 435.463 2.410 50 0 IEAAMO CCN(CC)S(=O)(=O)c1cccc(NC(=O)C[N@@H+]2CC[C@H](C(C)(C)C)[C@H](O)C2)c1 ZINC000095995991 569378813 /nfs/dbraw/zinc/37/88/13/569378813.db2.gz GYGCGVYJJXPUMQ-RBUKOAKNSA-N 1 1 425.595 2.385 50 0 IEAAMO CCN(CC)S(=O)(=O)c1cccc(NC(=O)C[N@H+]2CC[C@H](C(C)(C)C)[C@H](O)C2)c1 ZINC000095995991 569378814 /nfs/dbraw/zinc/37/88/14/569378814.db2.gz GYGCGVYJJXPUMQ-RBUKOAKNSA-N 1 1 425.595 2.385 50 0 IEAAMO NS(=O)(=O)c1cccc(CNC(=O)[C@H]2CC[N@@H+](C[C@@H]3CCCc4ccccc43)C2)c1 ZINC000096012307 569380016 /nfs/dbraw/zinc/38/00/16/569380016.db2.gz WFWCGTFDFRIJGM-PMACEKPBSA-N 1 1 427.570 2.392 50 0 IEAAMO CC[NH+]1CCN(C(=O)[C@@H]2CCCN(C(=O)c3cc(-c4cccc(OC)c4)on3)C2)CC1 ZINC000096210414 569386511 /nfs/dbraw/zinc/38/65/11/569386511.db2.gz FTNYAFFIUFZDRB-GOSISDBHSA-N 1 1 426.517 2.367 50 0 IEAAMO CCNC(=S)N1C[C@@H](C(=O)N2CC[NH+](C)CC2)[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000096211337 569386593 /nfs/dbraw/zinc/38/65/93/569386593.db2.gz XDNKREJGPIRARU-IAGOWNOFSA-N 1 1 428.524 2.389 50 0 IEAAMO COc1cc(CN2CCc3nc(N4CCCC4)nc(N4CC[NH+](C)CC4)c3C2)ccc1O ZINC000096281815 569390020 /nfs/dbraw/zinc/39/00/20/569390020.db2.gz KYOBGFXPZKZDNS-UHFFFAOYSA-N 1 1 438.576 2.101 50 0 IEAAMO CC(C)[NH+]1CCN(C(=O)CSc2nc3ccc(NS(C)(=O)=O)cc3s2)CC1 ZINC000096399503 569399966 /nfs/dbraw/zinc/39/99/66/569399966.db2.gz LFPZSWUQVKMFJZ-UHFFFAOYSA-N 1 1 428.605 2.313 50 0 IEAAMO O=C(NCC[NH+]1CCN(c2ccccc2)CC1)N[C@H]1CC(=O)N(c2cccc(F)c2)C1 ZINC000056925364 569427697 /nfs/dbraw/zinc/42/76/97/569427697.db2.gz KCRXIFHSDNUPKQ-IBGZPJMESA-N 1 1 425.508 2.052 50 0 IEAAMO COC(=O)C1=C(CN2CCC([NH+]3CCCCC3)CC2)NC(=O)N[C@@H]1c1cccc(OC)c1 ZINC000057414566 569433840 /nfs/dbraw/zinc/43/38/40/569433840.db2.gz JEJQWIVVHPSIPS-JOCHJYFZSA-N 1 1 442.560 2.427 50 0 IEAAMO CCCCN(C(=O)C[N@@H+]1CCS[C@@H]2CCCC[C@H]21)c1c(N)n(CCC)c(=O)[nH]c1=O ZINC000230172522 569439889 /nfs/dbraw/zinc/43/98/89/569439889.db2.gz NAUUWMMTLYWBMG-HZPDHXFCSA-N 1 1 437.610 2.022 50 0 IEAAMO CCCCN(C(=O)C[N@H+]1CCS[C@@H]2CCCC[C@H]21)c1c(N)n(CCC)c(=O)[nH]c1=O ZINC000230172522 569439890 /nfs/dbraw/zinc/43/98/90/569439890.db2.gz NAUUWMMTLYWBMG-HZPDHXFCSA-N 1 1 437.610 2.022 50 0 IEAAMO COc1cc(N2C[C@H](C(=O)NC[C@@H]3CCC[N@H+]4CCCC[C@@H]34)CC2=O)cc(OC)c1OC ZINC000230204733 569440049 /nfs/dbraw/zinc/44/00/49/569440049.db2.gz WBIHFVSNQDFSIS-SCTDSRPQSA-N 1 1 445.560 2.446 50 0 biogenic IEAAMO O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000003407673 569450006 /nfs/dbraw/zinc/45/00/06/569450006.db2.gz XZMBCHYDSYWRQB-HXUWFJFHSA-N 1 1 447.557 2.258 50 0 IEAAMO COc1ccc(CCC(=O)N[C@@H]2C3CN4CC2(c2ccccc2)C[N@@H+](C3)CC4)cc1OC ZINC000670442935 569450996 /nfs/dbraw/zinc/45/09/96/569450996.db2.gz WOCIVFDZSVRPRO-XXBILOIISA-N 1 1 435.568 2.320 50 0 IEAAMO CCOC(=O)[C@H]1CCC[N@H+](CC2=NC(=O)N[C@@H](c3ccc(OCC)cc3)C2C(=O)OC)C1 ZINC000067287165 569467180 /nfs/dbraw/zinc/46/71/80/569467180.db2.gz UTOKUDLUBBLBBZ-JXFKEZNVSA-N 1 1 445.516 2.141 50 0 IEAAMO CCOC(=O)[C@H]1CCC[N@@H+](CC2=NC(=O)N[C@@H](c3ccc(OCC)cc3)C2C(=O)OC)C1 ZINC000067287165 569467181 /nfs/dbraw/zinc/46/71/81/569467181.db2.gz UTOKUDLUBBLBBZ-JXFKEZNVSA-N 1 1 445.516 2.141 50 0 IEAAMO CCOC(=O)C1=C(C[NH+]2CCCCC2)NC(=O)N[C@@H]1c1cc(OC)c(OC)cc1OC ZINC000067287363 569467232 /nfs/dbraw/zinc/46/72/32/569467232.db2.gz USXIPNHDXDDRHW-HXUWFJFHSA-N 1 1 433.505 2.369 50 0 IEAAMO CCOc1ccc(C[N@H+](C)CC(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2N(C)C)cc1 ZINC000039987735 569482334 /nfs/dbraw/zinc/48/23/34/569482334.db2.gz FZXNRVLXSJFCCI-UHFFFAOYSA-N 1 1 448.589 2.472 50 0 IEAAMO CCOc1ccc(C[N@@H+](C)CC(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2N(C)C)cc1 ZINC000039987735 569482335 /nfs/dbraw/zinc/48/23/35/569482335.db2.gz FZXNRVLXSJFCCI-UHFFFAOYSA-N 1 1 448.589 2.472 50 0 IEAAMO Cc1cc(=O)n2nc(N3CCC(C(=O)NCCC[N@@H+]4C[C@H](C)C[C@H](C)C4)CC3)sc2n1 ZINC000008933760 569487870 /nfs/dbraw/zinc/48/78/70/569487870.db2.gz FOHCGWYBHJFCTC-IYBDPMFKSA-N 1 1 446.621 2.160 50 0 IEAAMO Cc1cc(=O)n2nc(N3CCC[C@H](C(=O)NCCC[N@@H+]4[C@H](C)CCC[C@@H]4C)C3)sc2n1 ZINC000008933791 569487882 /nfs/dbraw/zinc/48/78/82/569487882.db2.gz HMJOXJDEDAECOD-KSZLIROESA-N 1 1 446.621 2.445 50 0 IEAAMO C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)C1=CN2CCS(=O)(=O)N=C2C=C1 ZINC000040112374 569488955 /nfs/dbraw/zinc/48/89/55/569488955.db2.gz LVBNCGQZPWWRLZ-KRWDZBQOSA-N 1 1 428.558 2.175 50 0 IEAAMO Cc1cccc(NC(=O)[C@H]2CCC[N@H+](CC(=O)NC(=O)NCCc3cccs3)C2)n1 ZINC000040149585 569492574 /nfs/dbraw/zinc/49/25/74/569492574.db2.gz NFGGVMUIEYQGMY-INIZCTEOSA-N 1 1 429.546 2.171 50 0 IEAAMO Cc1cccc(NC(=O)[C@H]2CCC[N@@H+](CC(=O)NC(=O)NCCc3cccs3)C2)n1 ZINC000040149585 569492575 /nfs/dbraw/zinc/49/25/75/569492575.db2.gz NFGGVMUIEYQGMY-INIZCTEOSA-N 1 1 429.546 2.171 50 0 IEAAMO CSc1nc(C)c(CCC(=O)NCC(=O)N2CC[NH+](Cc3ccccc3)CC2)c(C)n1 ZINC000069348680 569501640 /nfs/dbraw/zinc/50/16/40/569501640.db2.gz ZWTNFBQWDNDTEZ-UHFFFAOYSA-N 1 1 441.601 2.209 50 0 IEAAMO O=C(NCCC[NH+]1CCN(c2ncccn2)CC1)Nc1cccc(C(=O)N2CCCC2)c1 ZINC000069950914 569525390 /nfs/dbraw/zinc/52/53/90/569525390.db2.gz FKFZPZMJAGUZBF-UHFFFAOYSA-N 1 1 437.548 2.046 50 0 IEAAMO COc1ccc(S(=O)(=O)N2CCN(C(=O)C[N@H+]3CCC[C@H]3c3cccs3)CC2)cc1 ZINC000010277216 569580411 /nfs/dbraw/zinc/58/04/11/569580411.db2.gz GPXTXLXSRSMTHO-IBGZPJMESA-N 1 1 449.598 2.427 50 0 IEAAMO CC(C)CC[N@@H+](Cc1nc2sc3c(c2c(=O)[nH]1)CCC3)C[C@H](O)CN1CCOCC1 ZINC000036160021 569587930 /nfs/dbraw/zinc/58/79/30/569587930.db2.gz LUHTVHYOOHOLAS-MRXNPFEDSA-N 1 1 434.606 2.015 50 0 IEAAMO CC(C)CC[N@H+](Cc1nc2sc3c(c2c(=O)[nH]1)CCC3)C[C@H](O)CN1CCOCC1 ZINC000036160021 569587931 /nfs/dbraw/zinc/58/79/31/569587931.db2.gz LUHTVHYOOHOLAS-MRXNPFEDSA-N 1 1 434.606 2.015 50 0 IEAAMO CC(=O)N1CCCc2cc(S(=O)(=O)NC[C@@H](c3ccc4c(c3)OCO4)[NH+](C)C)ccc21 ZINC000012196871 519564312 /nfs/dbraw/zinc/56/43/12/519564312.db2.gz SVXVQOOKQKKIMT-FQEVSTJZSA-N 1 1 445.541 2.296 50 0 IEAAMO CCOC(=O)C1C(CN2CC[NH+]([C@H](C)CC)CC2)=NC(=O)N[C@H]1c1ccc(OC)cc1 ZINC000020530942 520514624 /nfs/dbraw/zinc/51/46/24/520514624.db2.gz QQMKNHNADMXZJW-IERDGZPVSA-N 1 1 430.549 2.282 50 0 IEAAMO CC[N@@H+](CCCNC(=O)Cn1cnc2c(nc3n2CCCCC3)c1=O)Cc1ccccc1 ZINC000020556931 521015594 /nfs/dbraw/zinc/01/55/94/521015594.db2.gz IXQYMIXUKPCBNX-UHFFFAOYSA-N 1 1 436.560 2.348 50 0 IEAAMO CCOc1ccc(S(=O)(=O)N2CCN(c3cc(N(C)C)nc(C)[nH+]3)CC2)c(OCC)c1 ZINC000021794655 521196863 /nfs/dbraw/zinc/19/68/63/521196863.db2.gz PMBZMZKECKULQJ-UHFFFAOYSA-N 1 1 449.577 2.159 50 0 IEAAMO CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)NCCC[NH+]2CCOCC2)cc1 ZINC000017171334 521498190 /nfs/dbraw/zinc/49/81/90/521498190.db2.gz UOZSKDNVEHNDJZ-UHFFFAOYSA-N 1 1 431.558 2.354 50 0 IEAAMO CCOC(=O)c1ccc(NC(=S)N2CCC([N@@H+](C)CCN3CCOCC3)CC2)cc1 ZINC000020733989 521517361 /nfs/dbraw/zinc/51/73/61/521517361.db2.gz ZYXQOWVPKWBRJD-UHFFFAOYSA-N 1 1 434.606 2.289 50 0 IEAAMO CCN1CCN(C[C@@H](O)COc2cccc(C[NH2+]CCCOc3cccnc3)c2)CC1 ZINC000020600318 521685405 /nfs/dbraw/zinc/68/54/05/521685405.db2.gz PJJADSSMBNXNTO-JOCHJYFZSA-N 1 1 428.577 2.018 50 0 IEAAMO CCN1CCN(C[C@H](O)COc2ccc(C[NH2+]CCc3cccc(C)n3)cc2OC)CC1 ZINC000022914312 521686592 /nfs/dbraw/zinc/68/65/92/521686592.db2.gz FAMMVDSZCBWDDA-QHCPKHFHSA-N 1 1 442.604 2.108 50 0 IEAAMO CC[NH+]1CCN(c2nc3ncn(CC(=O)Nc4cc(C)cc(C)c4)c(=O)c3s2)CC1 ZINC000021886397 521700818 /nfs/dbraw/zinc/70/08/18/521700818.db2.gz BGEFMGXZBCUTGT-UHFFFAOYSA-N 1 1 426.546 2.250 50 0 IEAAMO CC[NH+]1CCN(c2nc3ncn(CC(=O)Nc4ccc(C)c(C)c4)c(=O)c3s2)CC1 ZINC000021886428 521701569 /nfs/dbraw/zinc/70/15/69/521701569.db2.gz BEEBQMCHOBFZJQ-UHFFFAOYSA-N 1 1 426.546 2.250 50 0 IEAAMO CN(C)S(=O)(=O)c1ccc2c(c1)CCCN2C(=O)C[N@@H+]1CCC[C@@H]1c1cccn1C ZINC000012818151 521987292 /nfs/dbraw/zinc/98/72/92/521987292.db2.gz DQEZKZAMJUPRAE-OAQYLSRUSA-N 1 1 430.574 2.392 50 0 IEAAMO CN(C)S(=O)(=O)c1ccc2c(c1)CCCN2C(=O)C[N@H+]1CCC[C@@H]1c1cccn1C ZINC000012818151 521987305 /nfs/dbraw/zinc/98/73/05/521987305.db2.gz DQEZKZAMJUPRAE-OAQYLSRUSA-N 1 1 430.574 2.392 50 0 IEAAMO COC(=O)c1ccc([C@@H]2C(C(=O)OC)=C(C)C=C([NH+]3CCOCC3)[C@H]2C(=O)OC)cc1 ZINC000012402739 522161987 /nfs/dbraw/zinc/16/19/87/522161987.db2.gz DHTOEOYYVHNGHH-WOJBJXKFSA-N 1 1 429.469 2.065 50 0 IEAAMO COc1cc(C[NH2+]CCc2nc(C)cc(C)n2)ccc1OC[C@@H](O)CN1CCSCC1 ZINC000012704096 522456266 /nfs/dbraw/zinc/45/62/66/522456266.db2.gz VCXBRXIXQXDZCM-FQEVSTJZSA-N 1 1 446.617 2.223 50 0 IEAAMO COCC(=O)N[C@@H](c1nnc2n1CC[N@H+](Cc1ccc(OC)c(C)c1OC)CC2)C(C)C ZINC000020600939 522772050 /nfs/dbraw/zinc/77/20/50/522772050.db2.gz KIHZBHFSLZNSTN-OAQYLSRUSA-N 1 1 445.564 2.122 50 0 IEAAMO COc1ccc(-c2cn3nc(N4CCC(C(=O)N5CC[NH+](C)CC5)CC4)sc3n2)cc1 ZINC000020531936 523145405 /nfs/dbraw/zinc/14/54/05/523145405.db2.gz MLOBDCGKCLZGTG-UHFFFAOYSA-N 1 1 440.573 2.457 50 0 IEAAMO COc1ccc(-c2cn3nc(N4CCC[C@H](C(=O)N5CC[NH+](C)CC5)C4)sc3n2)cc1 ZINC000020531942 523145538 /nfs/dbraw/zinc/14/55/38/523145538.db2.gz IEXCJEIRQQXJQG-KRWDZBQOSA-N 1 1 440.573 2.457 50 0 IEAAMO CCn1nc(C(=O)N2CCSCC2)c2c1CC[C@@H]([N@@H+](CCO)Cc1ccccc1)C2 ZINC000020599450 523613755 /nfs/dbraw/zinc/61/37/55/523613755.db2.gz IEGDNVSRMYOCGK-LJQANCHMSA-N 1 1 428.602 2.444 50 0 IEAAMO COc1ccc(C(=O)Nc2ccccc2C(=O)NCCC[NH+]2CCOCC2)cc1OC ZINC000020647634 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/nfs/dbraw/zinc/73/49/16/556734916.db2.gz PGKXGKSJGALDJV-FQEVSTJZSA-N 1 1 437.544 2.159 50 0 IEAAMO CN1CCC([N@H+](C)C[C@@H](NC(=O)CNC(=O)Cc2cccc(F)c2)c2ccccc2)CC1 ZINC000058196275 556770562 /nfs/dbraw/zinc/77/05/62/556770562.db2.gz BAHNYQQEUWFJRR-HSZRJFAPSA-N 1 1 440.563 2.368 50 0 IEAAMO CN1CCC([N@@H+](C)C[C@@H](NC(=O)CNC(=O)Cc2cccc(F)c2)c2ccccc2)CC1 ZINC000058196275 556770566 /nfs/dbraw/zinc/77/05/66/556770566.db2.gz BAHNYQQEUWFJRR-HSZRJFAPSA-N 1 1 440.563 2.368 50 0 IEAAMO Cc1cccc2c1ncn(CCC(=O)Nc1ccccc1C[N@@H+]1CCC[C@@H]1C(N)=O)c2=O ZINC000058317058 556780610 /nfs/dbraw/zinc/78/06/10/556780610.db2.gz YIMWHQDLGIXNFY-HXUWFJFHSA-N 1 1 433.512 2.183 50 0 IEAAMO Cc1cccc2c1ncn(CCC(=O)Nc1ccccc1C[N@H+]1CCC[C@@H]1C(N)=O)c2=O ZINC000058317058 556780611 /nfs/dbraw/zinc/78/06/11/556780611.db2.gz YIMWHQDLGIXNFY-HXUWFJFHSA-N 1 1 433.512 2.183 50 0 IEAAMO O=C(Cn1cnc2nc3c(cc2c1=O)CCCC3)NCCC[N@H+]1CCc2ccccc2C1 ZINC000033059599 556816140 /nfs/dbraw/zinc/81/61/40/556816140.db2.gz QVEJLVXYKBZNGI-UHFFFAOYSA-N 1 1 431.540 2.235 50 0 IEAAMO Cc1nc(NCCNS(=O)(=O)c2cccc(C(F)(F)F)c2)cc(N2CCOCC2)[nH+]1 ZINC000065362627 556834642 /nfs/dbraw/zinc/83/46/42/556834642.db2.gz QNSQTYCWZUOUOJ-UHFFFAOYSA-N 1 1 445.467 2.031 50 0 IEAAMO COc1cccc(S(=O)(=O)N2CCN(c3cc(N4CCCCC4)nc(C)[nH+]3)CC2)c1 ZINC000067603864 556843681 /nfs/dbraw/zinc/84/36/81/556843681.db2.gz RNIARDOVOHUEQQ-UHFFFAOYSA-N 1 1 431.562 2.295 50 0 IEAAMO C[NH+]1CCN(c2cc(N3CCN(C(=O)c4cccc(C(F)(F)F)c4)CC3)ncn2)CC1 ZINC000072140605 556899405 /nfs/dbraw/zinc/89/94/05/556899405.db2.gz BQPACSOCJIRFTH-UHFFFAOYSA-N 1 1 434.466 2.210 50 0 IEAAMO COc1ccc(C[N@@H+]2CCc3nnc([C@H](NS(C)(=O)=O)C(C)C)n3CC2)c(C)c1C ZINC000019799578 556917275 /nfs/dbraw/zinc/91/72/75/556917275.db2.gz YEILMPNXRJICJV-HXUWFJFHSA-N 1 1 435.594 2.208 50 0 IEAAMO O=S(=O)(NCc1nnc2n1CC[N@@H+](Cc1ccc(F)c(F)c1)CC2)c1ccccc1 ZINC000019840852 556929454 /nfs/dbraw/zinc/92/94/54/556929454.db2.gz MHKOIYNGJNASHK-UHFFFAOYSA-N 1 1 433.484 2.093 50 0 IEAAMO O=S(=O)(NCc1nnc2n1CC[N@H+](Cc1ccc(F)c(F)c1)CC2)c1ccccc1 ZINC000019840852 556929456 /nfs/dbraw/zinc/92/94/56/556929456.db2.gz MHKOIYNGJNASHK-UHFFFAOYSA-N 1 1 433.484 2.093 50 0 IEAAMO COc1ccc2c(c1OC)C(=O)O[C@@H]2[C@H]1c2c(c(CO)c3c(c2OC)OCO3)CC[N@H+]1C ZINC000019862299 556933835 /nfs/dbraw/zinc/93/38/35/556933835.db2.gz ZIKAXWHPAVNSPO-MSOLQXFVSA-N 1 1 443.452 2.374 50 0 IEAAMO COc1ccc2c(c1OC)C(=O)O[C@@H]2[C@H]1c2c(c(CO)c3c(c2OC)OCO3)CC[N@@H+]1C ZINC000019862299 556933837 /nfs/dbraw/zinc/93/38/37/556933837.db2.gz ZIKAXWHPAVNSPO-MSOLQXFVSA-N 1 1 443.452 2.374 50 0 IEAAMO O=C(Nc1ccccc1C(=O)NCCC[NH+]1CCOCC1)c1ccc2c(c1)OCCO2 ZINC000019897321 556940345 /nfs/dbraw/zinc/94/03/45/556940345.db2.gz YHEJEWPNHAERED-UHFFFAOYSA-N 1 1 425.485 2.162 50 0 IEAAMO CCOc1ccccc1N(CC(=O)N1CC[NH+](C)CC1)S(=O)(=O)c1ccc(C)cc1 ZINC000019905121 556942397 /nfs/dbraw/zinc/94/23/97/556942397.db2.gz BFYUSLQXGSFKMM-UHFFFAOYSA-N 1 1 431.558 2.363 50 0 IEAAMO Cc1cccc(N(CC(=O)NCCC[NH+]2CCOCC2)S(=O)(=O)c2ccccc2)c1 ZINC000019938269 556952207 /nfs/dbraw/zinc/95/22/07/556952207.db2.gz UYXNDXZRJDSYFA-UHFFFAOYSA-N 1 1 431.558 2.029 50 0 IEAAMO O=C(Cc1ccccc1)NC(NCCC[NH+]1CCOCC1)(C(F)(F)F)C(F)(F)F ZINC000019939078 556953048 /nfs/dbraw/zinc/95/30/48/556953048.db2.gz KIJCCFNUAQBXAP-UHFFFAOYSA-N 1 1 427.389 2.478 50 0 IEAAMO Cc1cc(S(=O)(=O)Nc2ccccc2)ccc1OCC(=O)NCCC[NH+]1CCOCC1 ZINC000019943626 556953728 /nfs/dbraw/zinc/95/37/28/556953728.db2.gz LRJOMQXBFNMUMT-UHFFFAOYSA-N 1 1 447.557 2.013 50 0 IEAAMO C[NH+]1CCN(C(=O)CN(Cc2ccccc2F)S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000020118956 556987513 /nfs/dbraw/zinc/98/75/13/556987513.db2.gz BRTBRCKJJDRVFW-UHFFFAOYSA-N 1 1 439.940 2.444 50 0 IEAAMO CC(C)Cn1c(CN(C)CC[NH+]2CCCCC2)cnc1S(=O)(=O)C[C@H]1CCCO1 ZINC000020203740 556997865 /nfs/dbraw/zinc/99/78/65/556997865.db2.gz IEALRDWLFNYVQJ-HXUWFJFHSA-N 1 1 426.627 2.410 50 0 IEAAMO COCc1ccc(C[N@H+]2CCc3nnc(CCNC(=O)c4ccc(OC)cc4)n3CC2)o1 ZINC000020351979 557009073 /nfs/dbraw/zinc/00/90/73/557009073.db2.gz QDVSEAWFCOMIIE-UHFFFAOYSA-N 1 1 439.516 2.057 50 0 IEAAMO COCc1ccc(C[N@@H+]2CCc3nnc(CCNC(=O)c4ccc(OC)cc4)n3CC2)o1 ZINC000020351979 557009077 /nfs/dbraw/zinc/00/90/77/557009077.db2.gz QDVSEAWFCOMIIE-UHFFFAOYSA-N 1 1 439.516 2.057 50 0 IEAAMO Cc1nc(-n2cccn2)cc(NCCNS(=O)(=O)c2ccc(C(F)(F)F)cc2)[nH+]1 ZINC000023144529 557026279 /nfs/dbraw/zinc/02/62/79/557026279.db2.gz RHUFMNZVVNRKIM-UHFFFAOYSA-N 1 1 426.424 2.380 50 0 IEAAMO Cc1cccc(N2CC[NH+](CCNC(=O)c3ccc(S(=O)(=O)NC(C)C)cc3)CC2)c1 ZINC000023172293 557036102 /nfs/dbraw/zinc/03/61/02/557036102.db2.gz STRJGEXKRHNAJK-UHFFFAOYSA-N 1 1 444.601 2.234 50 0 IEAAMO CC[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)CN(c1ccccc1)S(=O)(=O)N(C)C ZINC000033269431 557047068 /nfs/dbraw/zinc/04/70/68/557047068.db2.gz BRZWIEKWLNPDCF-HXUWFJFHSA-N 1 1 432.590 2.326 50 0 IEAAMO O=C(CN1CC[NH+](CCO)CC1)Nc1sc2c(c1C(=O)Nc1ccccc1)CCC2 ZINC000022939048 557053469 /nfs/dbraw/zinc/05/34/69/557053469.db2.gz HCVJMMXFFVMNSK-UHFFFAOYSA-N 1 1 428.558 2.038 50 0 IEAAMO C[NH+]1CCN([C@H](CNC(=O)[C@H]2CCCN(C(=O)N3CCCC3)C2)c2cccs2)CC1 ZINC000048302939 557064363 /nfs/dbraw/zinc/06/43/63/557064363.db2.gz PGANBLVUIICQOW-RBUKOAKNSA-N 1 1 433.622 2.081 50 0 IEAAMO C[C@@H]1CN(C(=O)C[C@@]2(c3cccc(C(F)(F)F)c3)CC(=O)N(C3CC3)C2=O)CC[N@@H+]1C ZINC000023337316 557084799 /nfs/dbraw/zinc/08/47/99/557084799.db2.gz IWYUUHBTPATKED-SZNDQCEHSA-N 1 1 437.462 2.417 50 0 IEAAMO C[C@@H]1CN(C(=O)C[C@@]2(c3cccc(C(F)(F)F)c3)CC(=O)N(C3CC3)C2=O)CC[N@H+]1C ZINC000023337316 557084801 /nfs/dbraw/zinc/08/48/01/557084801.db2.gz IWYUUHBTPATKED-SZNDQCEHSA-N 1 1 437.462 2.417 50 0 IEAAMO C[C@@H]1CN(C(=O)C[C@]2(c3cccc(C(F)(F)F)c3)CC(=O)N(C3CC3)C2=O)CC[N@@H+]1C ZINC000023337320 557084859 /nfs/dbraw/zinc/08/48/59/557084859.db2.gz IWYUUHBTPATKED-SPLOXXLWSA-N 1 1 437.462 2.417 50 0 IEAAMO C[C@@H]1CN(C(=O)C[C@]2(c3cccc(C(F)(F)F)c3)CC(=O)N(C3CC3)C2=O)CC[N@H+]1C ZINC000023337320 557084862 /nfs/dbraw/zinc/08/48/62/557084862.db2.gz IWYUUHBTPATKED-SPLOXXLWSA-N 1 1 437.462 2.417 50 0 IEAAMO COC(=O)c1ccc(OC[C@H](O)C[NH+]2CCN(c3ccc(C(F)(F)F)cn3)CC2)cc1 ZINC000017741044 557113380 /nfs/dbraw/zinc/11/33/80/557113380.db2.gz XMCWSRLRJFCOPN-QGZVFWFLSA-N 1 1 439.434 2.449 50 0 IEAAMO CCOc1ccc(CCNC(=O)C[NH2+][C@@H](C)c2cccc(S(N)(=O)=O)c2)cc1OCC ZINC000049604850 557115080 /nfs/dbraw/zinc/11/50/80/557115080.db2.gz UIRREUZMJVHLRU-INIZCTEOSA-N 1 1 449.573 2.141 50 0 IEAAMO O=C(CSc1nnnn1-c1cccc(F)c1)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000023805765 557117365 /nfs/dbraw/zinc/11/73/65/557117365.db2.gz HNRCAOHMEBLVPA-UHFFFAOYSA-N 1 1 434.541 2.045 50 0 IEAAMO Cn1c(N)c([C@H](c2cccc(Cl)c2)[NH+]2CCN(c3ccccc3)CC2)c(=O)n(C)c1=O ZINC000023845703 557120355 /nfs/dbraw/zinc/12/03/55/557120355.db2.gz AFYLGSPTDHPNDX-FQEVSTJZSA-N 1 1 439.947 2.231 50 0 IEAAMO C[C@@H]1C[N@H+](C(C)(C)CNC(=O)CCCN(C)S(=O)(=O)c2cccs2)C[C@H](C)O1 ZINC000025408634 557208995 /nfs/dbraw/zinc/20/89/95/557208995.db2.gz RBNAGCLKMWTDGH-IYBDPMFKSA-N 1 1 431.624 2.153 50 0 IEAAMO C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)CCCN(C)S(=O)(=O)c2cccs2)C[C@H](C)O1 ZINC000025408634 557208997 /nfs/dbraw/zinc/20/89/97/557208997.db2.gz RBNAGCLKMWTDGH-IYBDPMFKSA-N 1 1 431.624 2.153 50 0 IEAAMO C[NH+]1CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)Cc3ccc(Cl)c(Cl)c3)C2)CC1 ZINC000026110217 557234462 /nfs/dbraw/zinc/23/44/62/557234462.db2.gz SOCRZORZMRISJF-OAHLLOKOSA-N 1 1 434.389 2.309 50 0 IEAAMO COCCN(C[C@H]1CCC[N@H+]2CCCC[C@@H]12)C(=O)CCCn1nnc2ccccc2c1=O ZINC000583648160 557241252 /nfs/dbraw/zinc/24/12/52/557241252.db2.gz SPIIGGBBWHFIGO-KNQAVFIVSA-N 1 1 441.576 2.311 50 0 biogenic IEAAMO COc1ccc(C(=O)N/C(=C\c2ccc(OC)c(OC)c2)C(=O)N2CC[NH+](C)CC2)cc1 ZINC000013371582 557309131 /nfs/dbraw/zinc/30/91/31/557309131.db2.gz OEGWAAVYUMSQFN-HKWRFOASSA-N 1 1 439.512 2.257 50 0 IEAAMO C[C@H](NC(=O)C[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCCO2)c1ccc(S(N)(=O)=O)cc1 ZINC000014161523 557312170 /nfs/dbraw/zinc/31/21/70/557312170.db2.gz FJGDFPLYYCISQK-HNAYVOBHSA-N 1 1 445.541 2.120 50 0 IEAAMO C[C@H](NC(=O)C[N@H+]1CCC[C@@H]1c1ccc2c(c1)OCCO2)c1ccc(S(N)(=O)=O)cc1 ZINC000014161523 557312174 /nfs/dbraw/zinc/31/21/74/557312174.db2.gz FJGDFPLYYCISQK-HNAYVOBHSA-N 1 1 445.541 2.120 50 0 IEAAMO Cc1ccccc1-n1nnnc1SCC(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000023881869 557377049 /nfs/dbraw/zinc/37/70/49/557377049.db2.gz ZYQYBTIDQUZILO-UHFFFAOYSA-N 1 1 438.557 2.211 50 0 IEAAMO C[NH+]1CCN(C(=O)COc2ccc(S(=O)(=O)NC3CCCCC3)cc2Cl)CC1 ZINC000015919287 557466647 /nfs/dbraw/zinc/46/66/47/557466647.db2.gz SEWZAJGVVWEOKI-UHFFFAOYSA-N 1 1 429.970 2.104 50 0 IEAAMO CC(=O)Nc1ccc(S(=O)(=O)NCCC[NH+]2CCN(c3ccccc3)CC2)c(C)c1 ZINC000012068952 557526207 /nfs/dbraw/zinc/52/62/07/557526207.db2.gz CDXQNYQZXFOXPH-UHFFFAOYSA-N 1 1 430.574 2.444 50 0 IEAAMO COc1ccccc1N1C(=O)C[C@H]([NH+]2CCC(n3nnc(-c4cccs4)n3)CC2)C1=O ZINC000025174487 557528776 /nfs/dbraw/zinc/52/87/76/557528776.db2.gz YXNOOQBNVHVGAR-INIZCTEOSA-N 1 1 438.513 2.379 50 0 IEAAMO COc1ccc([C@@H]2CCCN2C(=O)NC[C@H]([C@H]2CCOC2)[NH+]2CCOCC2)c(OC)c1 ZINC000107334313 557535477 /nfs/dbraw/zinc/53/54/77/557535477.db2.gz MFJIGVPYYAYZCC-DZFGPLHGSA-N 1 1 433.549 2.288 50 0 IEAAMO COc1ccc(OC)c2c1CN(CC(=O)N1CC[NH+](Cc3ccccc3C)CC1)C[C@H]2O ZINC000040012131 557671362 /nfs/dbraw/zinc/67/13/62/557671362.db2.gz CCKKQXWVHXZITQ-OAQYLSRUSA-N 1 1 439.556 2.206 50 0 IEAAMO CN(Cc1cnccn1)C(=O)C[C@H]1C(=O)NCC[N@@H+]1CC(c1ccccc1)c1ccccc1 ZINC000055041993 563142298 /nfs/dbraw/zinc/14/22/98/563142298.db2.gz RYWXZSLPCCPDCA-DEOSSOPVSA-N 1 1 443.551 2.458 50 0 IEAAMO COC(=O)c1cc(S(=O)(=O)N2CCC[C@H](C[N@H+]3CCc4ccccc4C3)C2)cn1C ZINC000015731747 568814629 /nfs/dbraw/zinc/81/46/29/568814629.db2.gz ATUUCWVJHYXMDG-QGZVFWFLSA-N 1 1 431.558 2.271 50 0 IEAAMO C[C@@H](C(=O)NCCC[NH+]1CCOCC1)C1CCN(C(=O)c2cc3ccccc3[nH]2)CC1 ZINC000015868576 568851936 /nfs/dbraw/zinc/85/19/36/568851936.db2.gz DLFZZCICQRUSDU-GOSISDBHSA-N 1 1 426.561 2.495 50 0 IEAAMO COc1ccc(CNC(=O)[C@@H](CCSC)NC(=O)[C@@H]2Cc3ccccc3C[NH2+]2)cc1 ZINC000015967661 568861269 /nfs/dbraw/zinc/86/12/69/568861269.db2.gz SVLBGGTVMQBQQR-RTWAWAEBSA-N 1 1 427.570 2.264 50 0 IEAAMO C[C@@H]1CN(c2ccccc2NC(=O)NC[C@H]([C@@H]2CCOC2)[NH+]2CCOCC2)C[C@@H](C)O1 ZINC000229832466 568886983 /nfs/dbraw/zinc/88/69/83/568886983.db2.gz LUFGJCYDKIZVBV-JPAWQOSXSA-N 1 1 432.565 2.159 50 0 IEAAMO COc1ccc(C[N@@H+](CCN2CCOCC2)C[C@H](O)COCc2ccccc2)cc1OC ZINC000036095564 568951438 /nfs/dbraw/zinc/95/14/38/568951438.db2.gz SBXJQLMRYMIQPA-QHCPKHFHSA-N 1 1 444.572 2.416 50 0 IEAAMO CCOC[C@H](O)C[N@@H+](CCCOC)Cc1c(-c2ccccc2)noc1N1CCOCC1 ZINC000036150994 568963953 /nfs/dbraw/zinc/96/39/53/568963953.db2.gz FAMSURBBYGURDR-HXUWFJFHSA-N 1 1 433.549 2.414 50 0 IEAAMO CC1CCN(c2nn3c(nc(=O)cc3C(=O)NCC[N@@H+](C)C3CCCCC3)s2)CC1 ZINC000064836404 568969387 /nfs/dbraw/zinc/96/93/87/568969387.db2.gz CGOVHYUNYYCHFZ-UHFFFAOYSA-N 1 1 432.594 2.382 50 0 IEAAMO CCC[N@@H+](Cc1nc(=O)c2c(C)c(C(=O)OCC)sc2[nH]1)C[C@@H](O)COC(C)C ZINC000036206688 568972816 /nfs/dbraw/zinc/97/28/16/568972816.db2.gz WLWZQOIPGWPQRX-CQSZACIVSA-N 1 1 425.551 2.468 50 0 IEAAMO CCC[N@H+](Cc1nc(=O)c2c(C)c(C(=O)OCC)sc2[nH]1)C[C@@H](O)COC(C)C ZINC000036206688 568972819 /nfs/dbraw/zinc/97/28/19/568972819.db2.gz WLWZQOIPGWPQRX-CQSZACIVSA-N 1 1 425.551 2.468 50 0 IEAAMO CCN(CC)c1onc(-c2ccccc2)c1C[N@@H+](CCOC)C[C@H](O)CN1CCOCC1 ZINC000036208291 568973391 /nfs/dbraw/zinc/97/33/91/568973391.db2.gz VHVLEXJAVIALEA-OAQYLSRUSA-N 1 1 446.592 2.329 50 0 IEAAMO O=C(NCCC[NH+]1CCOCC1)[C@@H]1Cc2ccccc2N2CCN(c3ccccc3)C[C@@H]12 ZINC000169679209 568990759 /nfs/dbraw/zinc/99/07/59/568990759.db2.gz ZRSYTJLJVMBORX-NOZRDPDXSA-N 1 1 434.584 2.393 50 0 IEAAMO CC[NH+]1CCN(C(=O)c2ccc3c(c2)n(Cc2ccc(OC)cc2)c(=O)c2ccnn23)CC1 ZINC000169681215 568992756 /nfs/dbraw/zinc/99/27/56/568992756.db2.gz FALGJLRDNMPSBQ-UHFFFAOYSA-N 1 1 445.523 2.484 50 0 IEAAMO COc1ccc(NC(=O)N2CC[NH+]([C@@H](C(=O)N3CCOCC3)C3CCCC3)CC2)cc1 ZINC000036310709 568996651 /nfs/dbraw/zinc/99/66/51/568996651.db2.gz NTKLSKBAGZCILK-OAQYLSRUSA-N 1 1 430.549 2.262 50 0 IEAAMO C[C@@H](NC(=O)c1ccccc1NC(=O)C[N@@H+]1CCC[C@H](CNC(N)=O)C1)c1ccccc1 ZINC000036390360 569096570 /nfs/dbraw/zinc/09/65/70/569096570.db2.gz XWNZVNFFWYBSDZ-QZTJIDSGSA-N 1 1 437.544 2.496 50 0 IEAAMO C[C@@H](NC(=O)c1ccccc1NC(=O)C[N@H+]1CCC[C@H](CNC(N)=O)C1)c1ccccc1 ZINC000036390360 569096572 /nfs/dbraw/zinc/09/65/72/569096572.db2.gz XWNZVNFFWYBSDZ-QZTJIDSGSA-N 1 1 437.544 2.496 50 0 IEAAMO CC(C)[C@@H](CNC(=O)c1ccc(S(=O)(=O)N2CCC[C@@H](C)C2)cc1)[NH+]1CCOCC1 ZINC000036416328 569105744 /nfs/dbraw/zinc/10/57/44/569105744.db2.gz HTCGVNZMJUGVGO-WIYYLYMNSA-N 1 1 437.606 2.194 50 0 IEAAMO C[NH+]1CCN(c2ncncc2N2CCC(C(=O)NCc3cccc(Cl)c3)CC2)CC1 ZINC000065226883 569118032 /nfs/dbraw/zinc/11/80/32/569118032.db2.gz GJPDOQARLUBFOD-UHFFFAOYSA-N 1 1 428.968 2.415 50 0 IEAAMO CC(=O)N1CCN(c2nc3c(s2)C[C@H](C(=O)NCC[N@H+](C)C2CCCCC2)CC3)CC1 ZINC000065273434 569129469 /nfs/dbraw/zinc/12/94/69/569129469.db2.gz YYHARPBNGYVMBW-GOSISDBHSA-N 1 1 447.649 2.297 50 0 IEAAMO CC[C@H](C)[C@H]([NH2+]CC(=O)Nc1ccccc1S(=O)(=O)N(C)C1CCCCC1)C(N)=O ZINC000089942167 569168458 /nfs/dbraw/zinc/16/84/58/569168458.db2.gz NKWYXQIFMWHFMV-YWZLYKJASA-N 1 1 438.594 2.068 50 0 IEAAMO C[C@H]1CCC[N@@H+](CCCNC(=O)C(=O)Nc2ccc3nc4n(c(=O)c3c2)CCCCC4)C1 ZINC000009407492 569182956 /nfs/dbraw/zinc/18/29/56/569182956.db2.gz KSQOEIMVONMOEL-KRWDZBQOSA-N 1 1 439.560 2.300 50 0 IEAAMO CN(C)[C@H](CNC(=O)[C@@H]1CCC[C@H]1C(=O)NC[C@H](c1ccco1)[NH+](C)C)c1ccco1 ZINC000252477055 569185910 /nfs/dbraw/zinc/18/59/10/569185910.db2.gz HIEQUCNLCFMRND-NCXUSEDFSA-N 1 1 430.549 2.427 50 0 IEAAMO Cc1cc(C)n(CC(=O)N2CCC3(CC2)C[C@H](N2CC[NH+](CC(C)C)CC2)CCO3)n1 ZINC000581819870 569211791 /nfs/dbraw/zinc/21/17/91/569211791.db2.gz PIXAOXIALOLEGQ-JOCHJYFZSA-N 1 1 431.625 2.314 50 0 IEAAMO COc1cc(OC)c([C@@H](CC(N)=O)c2oc(C[NH+]3CCCCC3)cc(=O)c2O)cc1OC ZINC000253398006 569264680 /nfs/dbraw/zinc/26/46/80/569264680.db2.gz BUYCVKYSSLOBEI-MRXNPFEDSA-N 1 1 446.500 2.364 50 0 biogenic IEAAMO COc1cc([C@H](CC(N)=O)c2oc(C[NH+]3CCCCC3)cc(=O)c2O)cc2c1OCO2 ZINC000253415129 569266303 /nfs/dbraw/zinc/26/63/03/569266303.db2.gz ZSHKXAPIENXKCM-HNNXBMFYSA-N 1 1 430.457 2.076 50 0 biogenic IEAAMO O=C(CNC(=O)C[N@@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1)Nc1ccc(F)c(F)c1 ZINC000027572533 569273695 /nfs/dbraw/zinc/27/36/95/569273695.db2.gz LUSHXZKYKVYKQI-OAHLLOKOSA-N 1 1 430.455 2.370 50 0 IEAAMO O=C(CNC(=O)C[N@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1)Nc1ccc(F)c(F)c1 ZINC000027572533 569273696 /nfs/dbraw/zinc/27/36/96/569273696.db2.gz LUSHXZKYKVYKQI-OAHLLOKOSA-N 1 1 430.455 2.370 50 0 IEAAMO O=C(C[N@@H+]1CCS[C@@H]2CCCC[C@@H]21)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000079053485 569323550 /nfs/dbraw/zinc/32/35/50/569323550.db2.gz MXOJQYUNUUOPDW-RBUKOAKNSA-N 1 1 439.603 2.006 50 0 IEAAMO O=C(C[N@H+]1CCS[C@@H]2CCCC[C@@H]21)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000079053485 569323551 /nfs/dbraw/zinc/32/35/51/569323551.db2.gz MXOJQYUNUUOPDW-RBUKOAKNSA-N 1 1 439.603 2.006 50 0 IEAAMO COc1cccc(N2CCN(C(=O)COc3coc(C[NH+]4CCCCC4)cc3=O)CC2)c1 ZINC000079482244 569331008 /nfs/dbraw/zinc/33/10/08/569331008.db2.gz FTLMLPIDMJGVFB-UHFFFAOYSA-N 1 1 441.528 2.362 50 0 IEAAMO CN1CC[NH+](CCCNC(=O)[C@@H]2c3ccccc3C(=O)N(C)[C@@H]2c2cccs2)CC1 ZINC000020116011 569335159 /nfs/dbraw/zinc/33/51/59/569335159.db2.gz DPSSIGCZXFYBNO-NHCUHLMSSA-N 1 1 426.586 2.412 50 0 IEAAMO CC[NH+]1CCN([C@@H](c2cccs2)[C@@H](C)NC(=O)C(=O)NCc2ccc(OC)cc2)CC1 ZINC000020287946 569359258 /nfs/dbraw/zinc/35/92/58/569359258.db2.gz XQZOPPAVPCKYKH-DYESRHJHSA-N 1 1 444.601 2.256 50 0 IEAAMO CN(C[C@H](O)C[NH+]1CCN(C)CC1)C(=O)c1cn(Cc2ccccc2)nc1-c1ccccc1 ZINC000095406734 569364775 /nfs/dbraw/zinc/36/47/75/569364775.db2.gz DAGSOGKRZSKFGE-QHCPKHFHSA-N 1 1 447.583 2.279 50 0 IEAAMO CN(C[C@@H](O)C[NH+]1CCN(C)CC1)C(=O)c1cn(Cc2ccccc2)nc1-c1ccccc1 ZINC000095406733 569364788 /nfs/dbraw/zinc/36/47/88/569364788.db2.gz DAGSOGKRZSKFGE-HSZRJFAPSA-N 1 1 447.583 2.279 50 0 IEAAMO Cc1nc2ccc(S(=O)(=O)NCC(=O)N3CC[NH+](Cc4ccccc4)CC3)cc2s1 ZINC000020436610 569365482 /nfs/dbraw/zinc/36/54/82/569365482.db2.gz JESSSQLZWMMWPE-UHFFFAOYSA-N 1 1 444.582 2.227 50 0 IEAAMO O=S(=O)(c1ccc(Cl)cc1C(F)(F)F)N1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000095462062 569370029 /nfs/dbraw/zinc/37/00/29/569370029.db2.gz TTXWTNZONYYORK-UHFFFAOYSA-N 1 1 442.887 2.207 50 0 IEAAMO CC[C@]1(c2ccc(NC(=O)C(C)(C)C[N@@H+]3CCn4ccnc4C3)cc2)CCC(=O)NC1=O ZINC000095992994 569378354 /nfs/dbraw/zinc/37/83/54/569378354.db2.gz NXIMXACYUIIHKY-XMMPIXPASA-N 1 1 437.544 2.448 50 0 IEAAMO CC[C@]1(c2ccc(NC(=O)C(C)(C)C[N@H+]3CCn4ccnc4C3)cc2)CCC(=O)NC1=O ZINC000095992994 569378356 /nfs/dbraw/zinc/37/83/56/569378356.db2.gz NXIMXACYUIIHKY-XMMPIXPASA-N 1 1 437.544 2.448 50 0 IEAAMO O=C(NC1(C(=O)NCCCn2cccn2)CC[NH+](Cc2ccccc2)CC1)C(F)(F)F ZINC000095997668 569379032 /nfs/dbraw/zinc/37/90/32/569379032.db2.gz MFPIRXZMKUXWFN-UHFFFAOYSA-N 1 1 437.466 2.103 50 0 IEAAMO CCNC(=S)N1C[C@@H](c2cccc(C(F)(F)F)c2)[C@H](C(=O)N2CC[NH+](C)CC2)C1 ZINC000096211338 569386610 /nfs/dbraw/zinc/38/66/10/569386610.db2.gz XDNKREJGPIRARU-DLBZAZTESA-N 1 1 428.524 2.389 50 0 IEAAMO CC(=O)Nc1ccc(S(=O)(=O)[C@H]2CS(=O)(=O)C[C@@H]2[NH2+]CCC2=CCCCC2)cc1 ZINC000055408411 569404712 /nfs/dbraw/zinc/40/47/12/569404712.db2.gz ONMKRLMRDYLQCH-PMACEKPBSA-N 1 1 440.587 2.064 50 0 IEAAMO CN(C[C@@H]1CCC[N@H+]2CCCC[C@@H]12)C(=O)[C@@H]1CC(=O)N(Cc2ccc3c(c2)OCO3)C1 ZINC000299754459 569409108 /nfs/dbraw/zinc/40/91/08/569409108.db2.gz QRSFJDJBEBPKDB-ZCNNSNEGSA-N 1 1 427.545 2.487 50 0 biogenic IEAAMO O=C(NCC[NH+]1CCN(c2ccccc2)CC1)N[C@H]1CC(=O)N(c2ccc(F)cc2)C1 ZINC000056925368 569427786 /nfs/dbraw/zinc/42/77/86/569427786.db2.gz LYIIWNACKHCSGI-IBGZPJMESA-N 1 1 425.508 2.052 50 0 IEAAMO COC(=O)C1=C(CN2CCC([NH+]3CCCCC3)CC2)NC(=O)N[C@H]1c1cccc(OC)c1 ZINC000057414569 569433895 /nfs/dbraw/zinc/43/38/95/569433895.db2.gz JEJQWIVVHPSIPS-QFIPXVFZSA-N 1 1 442.560 2.427 50 0 IEAAMO O=C(CC[C@@H]1NC(=O)N(CCc2ccccc2)C1=O)NC[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000504065315 569442281 /nfs/dbraw/zinc/44/22/81/569442281.db2.gz VXENKVFMDBFXKA-ACRUOGEOSA-N 1 1 426.561 2.310 50 0 IEAAMO CC(=O)N1CCOc2ccc(S(=O)(=O)N[C@H](C)C[N@@H+]3CCc4ccccc4C3)cc21 ZINC000670434031 569442818 /nfs/dbraw/zinc/44/28/18/569442818.db2.gz ABXNKQZEGXNWRZ-MRXNPFEDSA-N 1 1 429.542 2.157 50 0 IEAAMO CC(=O)N1CCOc2ccc(S(=O)(=O)N[C@H](C)C[N@H+]3CCc4ccccc4C3)cc21 ZINC000670434031 569442819 /nfs/dbraw/zinc/44/28/19/569442819.db2.gz ABXNKQZEGXNWRZ-MRXNPFEDSA-N 1 1 429.542 2.157 50 0 IEAAMO O=C(C[NH+]1CCC(n2nnc(-c3cccs3)n2)CC1)Nc1ccc(Cn2cncn2)cc1 ZINC000008694519 569470074 /nfs/dbraw/zinc/47/00/74/569470074.db2.gz FDMZQTKJSBAHIN-UHFFFAOYSA-N 1 1 449.544 2.317 50 0 IEAAMO COCCN1[NH+]=C(C)[C@@H](C)n2c1nc1c2c(=O)n(Cc2cccc(Cl)c2)c(=O)n1C ZINC000008724555 569471998 /nfs/dbraw/zinc/47/19/98/569471998.db2.gz YRWWQZFFZIHZNI-CYBMUJFWSA-N 1 1 430.896 2.002 50 0 IEAAMO C[C@H](c1ccc(S(N)(=O)=O)cc1)[N@H+](C)CC(=O)Nc1ccc2c(c1)OC(F)(F)O2 ZINC000039972236 569482135 /nfs/dbraw/zinc/48/21/35/569482135.db2.gz CRMPYZSYIBTSFD-LLVKDONJSA-N 1 1 427.429 2.287 50 0 IEAAMO C[C@H](c1ccc(S(N)(=O)=O)cc1)[N@@H+](C)CC(=O)Nc1ccc2c(c1)OC(F)(F)O2 ZINC000039972236 569482136 /nfs/dbraw/zinc/48/21/36/569482136.db2.gz CRMPYZSYIBTSFD-LLVKDONJSA-N 1 1 427.429 2.287 50 0 IEAAMO Cc1ccc(NC(=O)C[NH+]2CCC(C(=O)N3CCN(C(=O)c4ccco4)CC3)CC2)cc1 ZINC000009068944 569500021 /nfs/dbraw/zinc/50/00/21/569500021.db2.gz IKVWTSXJNUGJQR-UHFFFAOYSA-N 1 1 438.528 2.223 50 0 IEAAMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)[C@H]1CCCN(S(=O)(=O)N2CCCCC2)C1 ZINC000245257880 569501624 /nfs/dbraw/zinc/50/16/24/569501624.db2.gz GASUHEQCZLYEHU-VQTJNVASSA-N 1 1 428.643 2.200 50 0 IEAAMO C[C@@H]1CCC[C@H](C)[N@@H+]1CCCNC(=O)[C@H]1CCCN(S(=O)(=O)N2CCCCC2)C1 ZINC000245276376 569501977 /nfs/dbraw/zinc/50/19/77/569501977.db2.gz VHJFNQGJAJWSQF-ZCNNSNEGSA-N 1 1 428.643 2.198 50 0 IEAAMO C[C@@H]1CCC[N@@H+](CCCNC(=O)c2nc(Cn3nc(-c4ccccc4)ccc3=O)no2)C1 ZINC000040455244 569506556 /nfs/dbraw/zinc/50/65/56/569506556.db2.gz GJKTUFZOMIQYKB-QGZVFWFLSA-N 1 1 436.516 2.193 50 0 IEAAMO COc1ccc(C[N@H+]2CCCN(C(=O)Cc3c(C)nc(-c4ccccn4)[nH]c3=O)CC2)cc1 ZINC000069979567 569526776 /nfs/dbraw/zinc/52/67/76/569526776.db2.gz ZZCHKEGOJLEQDZ-UHFFFAOYSA-N 1 1 447.539 2.426 50 0 IEAAMO Cc1c(C(=O)N2CCOC[C@H]2C)nnn1-c1cccc2c1CC[N@@H+](Cc1ccncc1)C2 ZINC000070038696 569529382 /nfs/dbraw/zinc/52/93/82/569529382.db2.gz NFMITORPNIIZAD-QGZVFWFLSA-N 1 1 432.528 2.390 50 0 IEAAMO Cc1csc2nc(C)c(S(=O)(=O)NC3CC[NH+](Cc4ccccc4)CC3)c(=O)n12 ZINC000009606166 569551981 /nfs/dbraw/zinc/55/19/81/569551981.db2.gz XCWRDXNDHSTWOQ-UHFFFAOYSA-N 1 1 432.571 2.316 50 0 IEAAMO COc1ccc(OCC[NH+]2CCN(c3ccc(S(=O)(=O)N4CCCC4)cn3)CC2)cc1 ZINC000009669397 569558060 /nfs/dbraw/zinc/55/80/60/569558060.db2.gz GQZJDPYGIUDBEC-UHFFFAOYSA-N 1 1 446.573 2.076 50 0 IEAAMO CC[N@@H+](Cc1ccccc1)Cc1cc(=O)[nH]c(N2CCN(C(=O)NC(C)(C)C)CC2)n1 ZINC000035926759 569587746 /nfs/dbraw/zinc/58/77/46/569587746.db2.gz XCWKICMKLQIBRW-UHFFFAOYSA-N 1 1 426.565 2.422 50 0 IEAAMO C[C@H]1CCCC[N@H+]1CCNC(=O)CN1CCN(C(=O)Nc2ccc(Cl)cc2)CC1=O ZINC000035537189 569587804 /nfs/dbraw/zinc/58/78/04/569587804.db2.gz NPAHZYMGBHNBBD-INIZCTEOSA-N 1 1 435.956 2.007 50 0 IEAAMO CC(C)CC[N@@H+](Cc1nc2sc3c(c2c(=O)[nH]1)CCC3)C[C@@H](O)CN1CCOCC1 ZINC000036160025 569587937 /nfs/dbraw/zinc/58/79/37/569587937.db2.gz LUHTVHYOOHOLAS-INIZCTEOSA-N 1 1 434.606 2.015 50 0 IEAAMO CC(C)CC[N@H+](Cc1nc2sc3c(c2c(=O)[nH]1)CCC3)C[C@@H](O)CN1CCOCC1 ZINC000036160025 569587938 /nfs/dbraw/zinc/58/79/38/569587938.db2.gz LUHTVHYOOHOLAS-INIZCTEOSA-N 1 1 434.606 2.015 50 0 IEAAMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)CCc2nc3sc4c(c3c(=O)[nH]2)CCCC4)C1 ZINC000022382323 519729719 /nfs/dbraw/zinc/72/97/19/519729719.db2.gz IMDMYJJTWZFPDR-OAHLLOKOSA-N 1 1 432.590 2.269 50 0 IEAAMO CCOC(=O)C1CC[NH+]([C@H](c2ccccn2)c2c(O)cc(C)n(CCOC)c2=O)CC1 ZINC000022697817 520583709 /nfs/dbraw/zinc/58/37/09/520583709.db2.gz HMFJMHYAVAPOMR-OAQYLSRUSA-N 1 1 429.517 2.268 50 0 IEAAMO CCOc1ccc(-c2noc(N3CCC(C(=O)N4CC[NH+](C)CC4)CC3)n2)cc1OC ZINC000035375123 520829221 /nfs/dbraw/zinc/82/92/21/520829221.db2.gz SAHSMHCIMPHHSC-UHFFFAOYSA-N 1 1 429.521 2.134 50 0 IEAAMO CC[NH+]1CCN(C(=O)CCCn2nc(C)c3c(C)n(-c4ccc(C)cc4)nc3c2=O)CC1 ZINC000020563901 521662394 /nfs/dbraw/zinc/66/23/94/521662394.db2.gz BHFSPCDKYSDHPN-UHFFFAOYSA-N 1 1 436.560 2.452 50 0 IEAAMO C[NH+](C)[C@H](CNS(=O)(=O)c1ccc(N2CCCC2=O)cc1)c1ccc2c(c1)OCO2 ZINC000012196743 522088556 /nfs/dbraw/zinc/08/85/56/522088556.db2.gz COLCRFXROCGPHO-GOSISDBHSA-N 1 1 431.514 2.123 50 0 IEAAMO COc1cc(CNCc2ccc(F)c(F)c2)ccc1OC[C@@H](O)C[NH+]1CCC(O)CC1 ZINC000012442687 522465800 /nfs/dbraw/zinc/46/58/00/522465800.db2.gz QBLHZQXTHHVEDM-IBGZPJMESA-N 1 1 436.499 2.460 50 0 IEAAMO CC[C@H]1CN(C(=O)N2CCC(C(=O)NCCC[NH+]3CCOCC3)CC2)c2ccccc2O1 ZINC000020902383 523230293 /nfs/dbraw/zinc/23/02/93/523230293.db2.gz IKLVVWJLTUCLMI-FQEVSTJZSA-N 1 1 444.576 2.335 50 0 IEAAMO CCc1ccc([C@@H](CNS(=O)(=O)CCN2C(=O)c3ccccc3C2=O)[NH+](C)C)cc1 ZINC000012772022 524029640 /nfs/dbraw/zinc/02/96/40/524029640.db2.gz LCAFDBHCIDQWBP-HXUWFJFHSA-N 1 1 429.542 2.067 50 0 IEAAMO CCc1ccc([C@H](CNS(=O)(=O)CCN2C(=O)c3ccccc3C2=O)[NH+](C)C)cc1 ZINC000012772026 524049239 /nfs/dbraw/zinc/04/92/39/524049239.db2.gz LCAFDBHCIDQWBP-FQEVSTJZSA-N 1 1 429.542 2.067 50 0 IEAAMO COc1ccc(C[NH2+]CCCc2ccccc2)c(OC[C@@H](O)CN2CCN(C)CC2)c1 ZINC000020540990 524070617 /nfs/dbraw/zinc/07/06/17/524070617.db2.gz BIJOSBGKKNWQFP-QHCPKHFHSA-N 1 1 427.589 2.405 50 0 IEAAMO CNC(=O)NC(=O)[C@H]([NH2+]Cc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccccc1 ZINC000012867311 524078256 /nfs/dbraw/zinc/07/82/56/524078256.db2.gz MSZRVPLRZPXMSY-HXUWFJFHSA-N 1 1 444.557 2.148 50 0 IEAAMO COc1ccc([C@@H]2NC(=[NH2+])Nc3nc4cc5c(cc4n32)OCCCO5)c(OC)c1OC ZINC000012506231 525267206 /nfs/dbraw/zinc/26/72/06/525267206.db2.gz BBPZXXIHBCSZTJ-LJQANCHMSA-N 1 1 425.445 2.320 50 0 IEAAMO C[C@]1(c2ccc3c(c2)OCO3)NC(=O)N(CN2CC[NH+](Cc3cccs3)CC2)C1=O ZINC000022805394 525319777 /nfs/dbraw/zinc/31/97/77/525319777.db2.gz 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/nfs/dbraw/zinc/45/28/04/556452804.db2.gz GVJPOBOOLYYTJC-HNNXBMFYSA-N 1 1 425.489 2.438 50 0 IEAAMO COc1cccc(OC)c1C[N@@H+]1CCc2nnc([C@H](C)NC(=O)c3ccco3)n2CC1 ZINC000014879691 556452805 /nfs/dbraw/zinc/45/28/05/556452805.db2.gz GVJPOBOOLYYTJC-HNNXBMFYSA-N 1 1 425.489 2.438 50 0 IEAAMO COc1ccc(C[N@@H+]2CCc3nnc(CCNC(=O)COc4ccccc4)n3CC2)cc1 ZINC000014879574 556452843 /nfs/dbraw/zinc/45/28/43/556452843.db2.gz WCBNCIGVAQCJOL-UHFFFAOYSA-N 1 1 435.528 2.083 50 0 IEAAMO Cn1c2ccc(CNCc3ccccc3OC[C@@H](O)C[NH+]3CCCCC3)cc2n(C)c1=O ZINC000014952646 556461165 /nfs/dbraw/zinc/46/11/65/556461165.db2.gz NYDHWBLBGHDGJE-NRFANRHFSA-N 1 1 438.572 2.392 50 0 IEAAMO C[C@H]1C[NH+](C(C)(C)CNC(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)C[C@H](C)O1 ZINC000028937160 556464417 /nfs/dbraw/zinc/46/44/17/556464417.db2.gz DLKYPCOUPCTCMF-HOTGVXAUSA-N 1 1 443.635 2.153 50 0 IEAAMO Cc1ccc(S(=O)(=O)N2CCN(c3cc[nH+]c(N(C)C)n3)CC2)cc1C(F)(F)F ZINC000072292513 556501339 /nfs/dbraw/zinc/50/13/39/556501339.db2.gz LPOJBSZXEVBCPD-UHFFFAOYSA-N 1 1 429.468 2.381 50 0 IEAAMO Cc1noc(C)c1S(=O)(=O)NC1(C(=O)Nc2ccc(-n3cc[nH+]c3C)nc2)CCCC1 ZINC000072301591 556525440 /nfs/dbraw/zinc/52/54/40/556525440.db2.gz BDORHOOKEZKJOD-UHFFFAOYSA-N 1 1 444.517 2.410 50 0 IEAAMO Cc1c2c(nn1-c1ccccc1)c(SCC(=O)NCCC[NH+]1CCOCC1)nnc2C ZINC000015724491 556545589 /nfs/dbraw/zinc/54/55/89/556545589.db2.gz DQJOUCFVPNVGLJ-UHFFFAOYSA-N 1 1 440.573 2.363 50 0 IEAAMO O=C(C[C@H]1Cn2ncc(-c3ccc(Cl)cc3)c2NC1=O)NCCC[NH+]1CCOCC1 ZINC000016649990 556575679 /nfs/dbraw/zinc/57/56/79/556575679.db2.gz RKVXZWBNZCJZBF-INIZCTEOSA-N 1 1 431.924 2.000 50 0 IEAAMO COc1ccc(N([C@@H](C)C(=O)N2CC[NH+](Cc3ccccc3)CC2)S(C)(=O)=O)cc1 ZINC000019812319 556576483 /nfs/dbraw/zinc/57/64/83/556576483.db2.gz SIRQOFTUMIJSJW-SFHVURJKSA-N 1 1 431.558 2.194 50 0 IEAAMO CCCCNS(=O)(=O)c1ccc(OCC(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000016475177 556610432 /nfs/dbraw/zinc/61/04/32/556610432.db2.gz WVPKBKRGDFMGKF-UHFFFAOYSA-N 1 1 445.585 2.488 50 0 IEAAMO C[NH+]1CCN(C(=O)C2CCN(S(=O)(=O)Cc3ccc(Cl)c(Cl)c3)CC2)CC1 ZINC000016652437 556621002 /nfs/dbraw/zinc/62/10/02/556621002.db2.gz TZPWVNIEULJKMZ-UHFFFAOYSA-N 1 1 434.389 2.309 50 0 IEAAMO Cc1[nH+]ccn1CCNC(=O)c1ccc(OC2CCN(S(C)(=O)=O)CC2)c(Cl)c1 ZINC000039485791 556629490 /nfs/dbraw/zinc/62/94/90/556629490.db2.gz SLBCMJGCGJZXQA-UHFFFAOYSA-N 1 1 440.953 2.078 50 0 IEAAMO COCCN(C[C@@H]1CCC[N@H+]2CCCC[C@H]12)C(=O)Cn1nc2c(cc1=O)CCCCC2 ZINC000409414047 556639477 /nfs/dbraw/zinc/63/94/77/556639477.db2.gz MXPNHKPOUPXREY-RBBKRZOGSA-N 1 1 430.593 2.252 50 0 biogenic IEAAMO CC[N@@H+]1CCC[C@H]1CN(CCC(=O)N1CCNCC1)C(=O)c1ccc(C(F)(F)F)cc1 ZINC000045966800 556689121 /nfs/dbraw/zinc/68/91/21/556689121.db2.gz AWIFDIMYPSNSHB-IBGZPJMESA-N 1 1 440.510 2.454 50 0 IEAAMO CC[N@H+]1CCC[C@H]1CN(CCC(=O)N1CCNCC1)C(=O)c1ccc(C(F)(F)F)cc1 ZINC000045966800 556689125 /nfs/dbraw/zinc/68/91/25/556689125.db2.gz AWIFDIMYPSNSHB-IBGZPJMESA-N 1 1 440.510 2.454 50 0 IEAAMO Cc1ccc(C(=O)N(CCS(=O)(=O)N2CC[NH2+]CC2)C[C@@H](C)c2ccccc2)cc1 ZINC000046140936 556691832 /nfs/dbraw/zinc/69/18/32/556691832.db2.gz JXORNUIXDNILID-HXUWFJFHSA-N 1 1 429.586 2.476 50 0 IEAAMO Cc1cc2c(c(C)c1)NC(=O)[C@@]21[NH2+][C@@H]([C@@H](C)O)[C@H]2C(=O)N(C3CCCCCC3)C(=O)[C@H]21 ZINC000005205151 556731913 /nfs/dbraw/zinc/73/19/13/556731913.db2.gz UAOHXMBTDCHQGE-XPBGTVIKSA-N 1 1 425.529 2.127 50 0 IEAAMO C[NH+]1CCN(NC(=O)CN2C(=O)S/C(=C/c3c(Cl)cccc3Cl)C2=O)CC1 ZINC000033924405 556732278 /nfs/dbraw/zinc/73/22/78/556732278.db2.gz KWCGBXJFGTYYJI-NTEUORMPSA-N 1 1 429.329 2.308 50 0 IEAAMO COc1ccc(S(=O)(=O)[C@@H]2CS(=O)(=O)C[C@@H]2[NH2+]CCC2=CCCCC2)cc1C ZINC000055408887 556741146 /nfs/dbraw/zinc/74/11/46/556741146.db2.gz OSODTAPHAZEJCF-AZUAARDMSA-N 1 1 427.588 2.423 50 0 IEAAMO CC(C)Cn1c(N)c([C@H](c2cccnc2)[NH+]2CCN(c3ccccc3)CC2)c(=O)[nH]c1=O ZINC000058145675 556761682 /nfs/dbraw/zinc/76/16/82/556761682.db2.gz NPGQQQKYNCHDHM-NRFANRHFSA-N 1 1 434.544 2.081 50 0 IEAAMO CCOC(=O)N1CCC(NC(=O)[C@H]2CCC[N@H+](Cc3nc(-c4cccnc4)no3)C2)CC1 ZINC000062022909 556766281 /nfs/dbraw/zinc/76/62/81/556766281.db2.gz NVMODZAFCFSTNP-KRWDZBQOSA-N 1 1 442.520 2.081 50 0 IEAAMO CCOC(=O)N1CCC(NC(=O)[C@H]2CCC[N@@H+](Cc3nc(-c4cccnc4)no3)C2)CC1 ZINC000062022909 556766283 /nfs/dbraw/zinc/76/62/83/556766283.db2.gz NVMODZAFCFSTNP-KRWDZBQOSA-N 1 1 442.520 2.081 50 0 IEAAMO CC[NH+]1CCN(C(=O)CN(c2ccc(OC)cc2)S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000019527840 556787701 /nfs/dbraw/zinc/78/77/01/556787701.db2.gz QQRBGKJXBQDKTC-UHFFFAOYSA-N 1 1 435.521 2.194 50 0 IEAAMO COc1cc(COC[C@H](O)CN2CC[NH+](Cc3ccccc3)CC2)cc(OC)c1OC ZINC000019770937 556912713 /nfs/dbraw/zinc/91/27/13/556912713.db2.gz SLSWCHWUDQBTRS-OAQYLSRUSA-N 1 1 430.545 2.408 50 0 IEAAMO COCc1ccc(C[N@H+]2CCc3nnc(CNC(=O)c4c(F)cccc4F)n3CC2)o1 ZINC000019838613 556928674 /nfs/dbraw/zinc/92/86/74/556928674.db2.gz UXZWHTMLDSSJMZ-UHFFFAOYSA-N 1 1 431.443 2.284 50 0 IEAAMO COCc1ccc(C[N@@H+]2CCc3nnc(CNC(=O)c4c(F)cccc4F)n3CC2)o1 ZINC000019838613 556928676 /nfs/dbraw/zinc/92/86/76/556928676.db2.gz UXZWHTMLDSSJMZ-UHFFFAOYSA-N 1 1 431.443 2.284 50 0 IEAAMO c1ccc([C@H]2NC3=NCN(CCC[NH+]4CCOCC4)CN3c3nc4ccccc4n32)cc1 ZINC000020101269 556980364 /nfs/dbraw/zinc/98/03/64/556980364.db2.gz VAUKCDHMTBCLSG-QFIPXVFZSA-N 1 1 431.544 2.302 50 0 IEAAMO COc1cc(CN2CCN(C(C)=O)CC2)ccc1OC[C@H](O)C[N@@H+](C)C1CCCCC1 ZINC000020207761 556998256 /nfs/dbraw/zinc/99/82/56/556998256.db2.gz BNEJCAKHLRLKCM-JOCHJYFZSA-N 1 1 433.593 2.364 50 0 IEAAMO C[C@H](C(=O)N1CC[NH+](Cc2ccccc2)CC1)N1CCN(Cc2cn3ccccc3n2)CC1 ZINC000022926338 557048771 /nfs/dbraw/zinc/04/87/71/557048771.db2.gz XBLKAICHHGLRMT-JOCHJYFZSA-N 1 1 446.599 2.185 50 0 IEAAMO Cc1ncn(-c2cc(N3CCN(S(=O)(=O)c4cccc(F)c4)CC3)[nH+]c(C)n2)c1C ZINC000082230375 557061503 /nfs/dbraw/zinc/06/15/03/557061503.db2.gz RZSKZLYRTQCMED-UHFFFAOYSA-N 1 1 430.509 2.238 50 0 IEAAMO Cc1[nH+]ccn1-c1cc(CNC(=O)[C@H]2CCCN(S(=O)(=O)c3ccccc3)C2)ccn1 ZINC000048325224 557065982 /nfs/dbraw/zinc/06/59/82/557065982.db2.gz 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50 0 IEAAMO O=C(CN1CCC(C(=O)Nc2ccccc2O)CC1)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000025058677 557192893 /nfs/dbraw/zinc/19/28/93/557192893.db2.gz SNZDAURGCIJDBS-NRFANRHFSA-N 1 1 436.556 2.433 50 0 IEAAMO CCOc1ccc(C[N@@H+]2CCN(Cc3cnc(N4CCOCC4)s3)C[C@@H]2CCO)cc1 ZINC000096806811 557205472 /nfs/dbraw/zinc/20/54/72/557205472.db2.gz ULMAELALBFXRRL-FQEVSTJZSA-N 1 1 446.617 2.447 50 0 IEAAMO CCOc1ccc(C[N@H+]2CCN(Cc3cnc(N4CCOCC4)s3)C[C@@H]2CCO)cc1 ZINC000096806811 557205475 /nfs/dbraw/zinc/20/54/75/557205475.db2.gz ULMAELALBFXRRL-FQEVSTJZSA-N 1 1 446.617 2.447 50 0 IEAAMO CCN(CC)S(=O)(=O)c1ccc(C(=O)NC[C@H](CC(C)C)[NH+]2CCOCC2)cc1 ZINC000026366042 557239681 /nfs/dbraw/zinc/23/96/81/557239681.db2.gz QOXGWYBPDWNPGA-IBGZPJMESA-N 1 1 425.595 2.194 50 0 IEAAMO CCn1cc[nH+]c1N1CCN(C(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)CC1 ZINC000011695641 557393607 /nfs/dbraw/zinc/39/36/07/557393607.db2.gz QSMLRDLLWBTHIW-UHFFFAOYSA-N 1 1 431.562 2.040 50 0 IEAAMO CCN(CCNC(=O)C[N@H+](C)[C@H](C)c1ccc(S(N)(=O)=O)cc1)c1cccc(C)c1 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/nfs/dbraw/zinc/61/37/16/568613716.db2.gz DBJCTWKIVYVCBC-QHCPKHFHSA-N 1 1 449.636 2.463 50 0 IEAAMO COCCN1CCN(Cc2ccc(OC[C@@H](O)C[N@@H+](C)C3CCCCC3)c(OC)c2)CC1 ZINC000023373281 568613719 /nfs/dbraw/zinc/61/37/19/568613719.db2.gz DBJCTWKIVYVCBC-QHCPKHFHSA-N 1 1 449.636 2.463 50 0 IEAAMO Cc1cccc(NC(=O)[C@H](C)[NH+]2CCC(C(=O)Nc3ccc(S(N)(=O)=O)cc3)CC2)c1 ZINC000015523363 568796504 /nfs/dbraw/zinc/79/65/04/568796504.db2.gz KFMJFLKASXOJEI-INIZCTEOSA-N 1 1 444.557 2.320 50 0 IEAAMO COc1cc(C(=O)N2CCN(c3cc(N4CCCC4)nc(C)[nH+]3)CC2)cc(OC)c1OC ZINC000015838307 568844250 /nfs/dbraw/zinc/84/42/50/568844250.db2.gz YUFVZNMDHIJZNW-UHFFFAOYSA-N 1 1 441.532 2.373 50 0 IEAAMO COCCCN(C[C@@H]1CCC[N@H+]2CCCC[C@H]12)C(=O)Cn1c(=O)[nH]c2ccccc2c1=O ZINC000409413998 568903569 /nfs/dbraw/zinc/90/35/69/568903569.db2.gz HTLUVOLSBWQPTO-GHTZIAJQSA-N 1 1 442.560 2.232 50 0 biogenic IEAAMO COc1ccc([C@H]2CCC[N@H+]2CCC(=O)N2CCN(c3ncccn3)CC2)c(OC)c1 ZINC000026908156 568924243 /nfs/dbraw/zinc/92/42/43/568924243.db2.gz 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0 IEAAMO CCOC[C@H](O)C[N@H+](Cc1nc(=O)c2c(C)c(C(=O)OCC)sc2[nH]1)CC(C)C ZINC000036206621 568973141 /nfs/dbraw/zinc/97/31/41/568973141.db2.gz GUJPVOXYCKJIAB-CQSZACIVSA-N 1 1 425.551 2.325 50 0 IEAAMO C[NH+]1CCN(c2ncncc2N2CCC(C(=O)NCc3ccc(Cl)cc3)CC2)CC1 ZINC000065226867 569117953 /nfs/dbraw/zinc/11/79/53/569117953.db2.gz MEPXOHFVYIEFSI-UHFFFAOYSA-N 1 1 428.968 2.415 50 0 IEAAMO C[NH+]1CCN(c2ncncc2N2CCC(C(=O)NCc3cc(F)ccc3F)CC2)CC1 ZINC000065226845 569118011 /nfs/dbraw/zinc/11/80/11/569118011.db2.gz WAZFROLIKMOJIR-UHFFFAOYSA-N 1 1 430.503 2.039 50 0 IEAAMO C[NH+]1CCN(c2ncncc2N2CCC(C(=O)NCc3ccccc3Cl)CC2)CC1 ZINC000065226885 569118028 /nfs/dbraw/zinc/11/80/28/569118028.db2.gz YWXXMWUGQLAPFZ-UHFFFAOYSA-N 1 1 428.968 2.415 50 0 IEAAMO COc1ccc(N2C(=O)N[C@@H](CC(=O)N(C)C[C@@H]3CCC[N@H+]4CCCC[C@H]34)C2=O)cc1 ZINC000524731497 569126646 /nfs/dbraw/zinc/12/66/46/569126646.db2.gz ZVEQVYGYCGORPG-FFZOFVMBSA-N 1 1 428.533 2.233 50 0 biogenic IEAAMO C[N@H+]1CCN(CCNC(=O)Nc2cccc(Cn3cccnc3=O)c2)[C@H](c2ccccc2)C1 ZINC000065529215 569139173 /nfs/dbraw/zinc/13/91/73/569139173.db2.gz VCNVMTWQYLMNPQ-QHCPKHFHSA-N 1 1 446.555 2.402 50 0 IEAAMO O=C(C[C@@H](O)c1cc(Cl)cc(Cl)c1)N1CCN(CC[N@H+]2CCCOCC2)CC1 ZINC000170600533 569142763 /nfs/dbraw/zinc/14/27/63/569142763.db2.gz JPVQHEIBDQHKOF-LJQANCHMSA-N 1 1 430.376 2.283 50 0 IEAAMO Cc1cccc([C@@H](C)CNC(=O)C(=O)Nc2ccc(OCC[NH+]3CCN(C)CC3)cc2)c1 ZINC000089669092 569161085 /nfs/dbraw/zinc/16/10/85/569161085.db2.gz JKJCKHNRCAPAQY-FQEVSTJZSA-N 1 1 438.572 2.480 50 0 IEAAMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)[C@H]1CCCN(c2nn3c(nc(C)cc3=O)s2)C1 ZINC000251822559 569162031 /nfs/dbraw/zinc/16/20/31/569162031.db2.gz PJAUSWBDJMXFKM-ZWKOTPCHSA-N 1 1 446.621 2.447 50 0 IEAAMO CC(=O)Oc1ccc(N2C(=O)[C@@H]3[C@@H]4CCC[N@H+]4[C@]4(c5ccccc5NC4=O)[C@H]3C2=O)cc1 ZINC000252347004 569183139 /nfs/dbraw/zinc/18/31/39/569183139.db2.gz RDYYNNNAKVQNDY-UECWXEIQSA-N 1 1 431.448 2.043 50 0 IEAAMO CC(=O)Oc1ccc(N2C(=O)[C@@H]3[C@@H]4CCC[N@H+]4[C@@]4(c5ccccc5NC4=O)[C@H]3C2=O)cc1 ZINC000252347003 569183198 /nfs/dbraw/zinc/18/31/98/569183198.db2.gz RDYYNNNAKVQNDY-SMOZNVCYSA-N 1 1 431.448 2.043 50 0 IEAAMO Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@H]2[C@@H]2CCC[N@H+]21 ZINC000252678913 569210599 /nfs/dbraw/zinc/21/05/99/569210599.db2.gz HOIKFIMALMGQNA-DFSVQXFESA-N 1 1 445.475 2.197 50 0 IEAAMO Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@H]2[C@H]2CCC[N@H+]21 ZINC000252678914 569210687 /nfs/dbraw/zinc/21/06/87/569210687.db2.gz HOIKFIMALMGQNA-OEZVOZRXSA-N 1 1 445.475 2.197 50 0 IEAAMO CCCCN(C(=O)C[N@@H+]1CCS[C@H]2CCCC[C@@H]21)c1c(N)n(CCC)c(=O)[nH]c1=O ZINC000079053488 569323569 /nfs/dbraw/zinc/32/35/69/569323569.db2.gz NAUUWMMTLYWBMG-HOTGVXAUSA-N 1 1 437.610 2.022 50 0 IEAAMO CCCCN(C(=O)C[N@H+]1CCS[C@H]2CCCC[C@@H]21)c1c(N)n(CCC)c(=O)[nH]c1=O ZINC000079053488 569323570 /nfs/dbraw/zinc/32/35/70/569323570.db2.gz NAUUWMMTLYWBMG-HOTGVXAUSA-N 1 1 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