smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN1CC[NH+](CCCNC(=O)c2ccc(N(Cc3ccc(F)cc3)S(C)(=O)=O)cc2)CC1 ZINC000022829907 523899387 /nfs/dbraw/zinc/89/93/87/523899387.db2.gz YTIPTNLVYFAVLW-UHFFFAOYSA-N 1 1 462.591 2.159 40 0 JEABMO COc1ccc(Cl)cc1S(=O)(=O)N(C)CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000016187615 524248281 /nfs/dbraw/zinc/24/82/81/524248281.db2.gz XXAJRUPVHPDEFW-UHFFFAOYSA-N 1 1 451.976 2.314 40 0 JEABMO O=C(NCc1ccc(C[NH+]2CCOCC2)cc1)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000018217248 526657533 /nfs/dbraw/zinc/65/75/33/526657533.db2.gz VYNDTHAZHDIEGH-UHFFFAOYSA-N 1 1 475.586 2.375 40 0 JEABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)c1ccc(C)c(S(=O)(=O)N2CCOCC2)c1 ZINC000020482511 527386323 /nfs/dbraw/zinc/38/63/23/527386323.db2.gz XERAPIJAWKFYTL-UHFFFAOYSA-N 1 1 454.552 2.440 40 0 JEABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)[C@@H](C)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O ZINC000020047602 527386584 /nfs/dbraw/zinc/38/65/84/527386584.db2.gz UZCVIXQWMGBZCR-MRXNPFEDSA-N 1 1 470.551 2.423 40 0 JEABMO COc1ccc(OC)c(N2C(=O)[C@H]3[C@H]4CCC[N@@H+]4[C@@]4(C(=O)Nc5ccc(F)cc54)[C@@H]3C2=O)c1 ZINC000009332385 555101702 /nfs/dbraw/zinc/10/17/02/555101702.db2.gz JBYKRIKLSNXLGD-VUYBDXIFSA-N 1 1 451.454 2.274 40 0 JEABMO COc1ccc(OC)c(N2C(=O)[C@H]3[C@H]4CCC[N@H+]4[C@@]4(C(=O)Nc5ccc(F)cc54)[C@@H]3C2=O)c1 ZINC000009332385 555101706 /nfs/dbraw/zinc/10/17/06/555101706.db2.gz JBYKRIKLSNXLGD-VUYBDXIFSA-N 1 1 451.454 2.274 40 0 JEABMO COc1ccc(Cl)cc1S(=O)(=O)N[C@H](Cc1ccccc1)C(=O)NCCC[NH+]1CCOCC1 ZINC000020009978 555585952 /nfs/dbraw/zinc/58/59/52/555585952.db2.gz XLKGGRKUWGPNPA-HXUWFJFHSA-N 1 1 496.029 2.077 40 0 JEABMO COc1ccc(OC)c(N(CC(=O)NCc2ccccc2-n2cc[nH+]c2C)S(C)(=O)=O)c1 ZINC000020043488 555614963 /nfs/dbraw/zinc/61/49/63/555614963.db2.gz ASGWLPZRRUGGGC-UHFFFAOYSA-N 1 1 458.540 2.280 40 0 JEABMO COc1ccc2cc([C@H](c3nnnn3Cc3ccc(F)cc3)N3CC[NH+](C)CC3)c(=O)[nH]c2c1 ZINC000020080348 555629158 /nfs/dbraw/zinc/62/91/58/555629158.db2.gz LCNWIFVKPIWSQQ-JOCHJYFZSA-N 1 1 463.517 2.047 40 0 JEABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)c2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)cc1 ZINC000020112766 555650263 /nfs/dbraw/zinc/65/02/63/555650263.db2.gz UFXQAEQPGDOGNL-UHFFFAOYSA-N 1 1 454.552 2.440 40 0 JEABMO CCOc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)N2CC[NH+](C)CC2)cc1Cl ZINC000022248160 555898623 /nfs/dbraw/zinc/89/86/23/555898623.db2.gz JIJAKCJTHGIBHB-HXUWFJFHSA-N 1 1 466.003 2.402 40 0 JEABMO COc1ccc(Cn2nnnc2[C@@H](c2cc3ccc(C)cc3[nH]c2=O)N2CC[NH+](C)CC2)cc1 ZINC000019222055 556335640 /nfs/dbraw/zinc/33/56/40/556335640.db2.gz SWUIHDGYJDQGDB-HSZRJFAPSA-N 1 1 459.554 2.217 40 0 JEABMO CCOc1ccc2[nH]c(=O)c([C@H](c3nnnn3Cc3ccccc3)N3CC[NH+](C)CC3)cc2c1 ZINC000019519922 556350831 /nfs/dbraw/zinc/35/08/31/556350831.db2.gz OIVRLZKQVOKUKJ-HSZRJFAPSA-N 1 1 459.554 2.298 40 0 JEABMO COCCn1nnnc1[C@H](c1cc2ccc(OC)cc2[nH]c1=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000019593911 556356041 /nfs/dbraw/zinc/35/60/41/556356041.db2.gz OACMOUNOFCLMID-DEOSSOPVSA-N 1 1 489.580 2.077 40 0 JEABMO COc1ccc2cc(CN(C[C@H]3CCCO3)C(=S)NCCC[NH+]3CCOCC3)c(=O)[nH]c2c1 ZINC000019824754 556396155 /nfs/dbraw/zinc/39/61/55/556396155.db2.gz RNJVSRGPZCHWQM-OAQYLSRUSA-N 1 1 474.627 2.115 40 0 JEABMO O=c1cccc2n1C[C@H]1C[C@@H]2C[N@H+](C[C@H]2CN3CC[C@H]2C[C@@H]3CNS(=O)(=O)c2cccs2)C1 ZINC000067870825 560050589 /nfs/dbraw/zinc/05/05/89/560050589.db2.gz HSTCDGSPTYQRTA-JRSUCEMESA-N 1 1 488.679 2.018 40 0 biogenic,in-vitro JEABMO O=C(NCc1ccc2c(c1)OCO2)[C@H]1C[N@@H+]2CC[C@H]1C[C@@H]2Cn1cc(-c2cccc(O)c2)nn1 ZINC000008298769 560208470 /nfs/dbraw/zinc/20/84/70/560208470.db2.gz GPIOAEFPCKTEPF-DSKINZAPSA-N 1 1 461.522 2.406 40 0 biogenic,in-vitro JEABMO CCOC(=O)c1ccc(N2C(=O)[C@H]3[C@H]4CCC[N@@H+]4[C@@]4(C(=O)Nc5ccc(F)cc54)[C@@H]3C2=O)cc1 ZINC000033821728 569635647 /nfs/dbraw/zinc/63/56/47/569635647.db2.gz KUIZFCYTWLYTDP-GFTAFNIFSA-N 1 1 463.465 2.434 40 0 JEABMO CCOC(=O)c1ccc(N2C(=O)[C@H]3[C@H]4CCC[N@H+]4[C@@]4(C(=O)Nc5ccc(F)cc54)[C@@H]3C2=O)cc1 ZINC000033821728 569635648 /nfs/dbraw/zinc/63/56/48/569635648.db2.gz KUIZFCYTWLYTDP-GFTAFNIFSA-N 1 1 463.465 2.434 40 0 JEABMO COc1ccc(C[N@H+]2CCC[C@]3(C(=O)N4CCOCC4)CN(c4ncccn4)C[C@@H]3C2)cc1 ZINC000096056170 569732562 /nfs/dbraw/zinc/73/25/62/569732562.db2.gz PGMCUWPQJXDMMU-OFVILXPXSA-N 1 1 451.571 2.063 40 0 JEABMO CCCOc1ccc(N2C(=O)C[C@@H]([NH+]3CCC(C4CCN(S(C)(=O)=O)CC4)CC3)C2=O)cc1 ZINC000100211098 569755503 /nfs/dbraw/zinc/75/55/03/569755503.db2.gz GYGXFDZYPBRHMN-JOCHJYFZSA-N 1 1 477.627 2.491 40 0 JEABMO CC[NH+]1CCN(C(=O)c2nnc3c(-c4ccc(OC)c(OC)c4)c(COC)nn3c2C)CC1 ZINC000040372699 569824249 /nfs/dbraw/zinc/82/42/49/569824249.db2.gz VDAZDYGJXKBQOF-UHFFFAOYSA-N 1 1 454.531 2.041 40 0 JEABMO CS(=O)(=O)N1CCC(C2CC[NH+]([C@H]3CC(=O)N(c4ccc(F)c(Cl)c4)C3=O)CC2)CC1 ZINC000104128487 569841717 /nfs/dbraw/zinc/84/17/17/569841717.db2.gz NBXRFXZWPYMFNK-IBGZPJMESA-N 1 1 471.982 2.495 40 0 JEABMO CC[NH+]1CCN(C(=O)CN(Cc2ccccc2)S(=O)(=O)c2cc(OC)ccc2OC)CC1 ZINC000108833737 569859674 /nfs/dbraw/zinc/85/96/74/569859674.db2.gz MGEWZBCEVQGFDV-UHFFFAOYSA-N 1 1 461.584 2.059 40 0 JEABMO COc1ccc(S(=O)(=O)NCCC[N@H+]2CCc3ccccc3C2)cc1N1C(=O)CCC1=O ZINC000223339772 569908014 /nfs/dbraw/zinc/90/80/14/569908014.db2.gz ZMWUWNGSBHBOKK-UHFFFAOYSA-N 1 1 457.552 2.075 40 0 JEABMO COc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000224562591 569948492 /nfs/dbraw/zinc/94/84/92/569948492.db2.gz OXFRHHYGVCWCHX-UHFFFAOYSA-N 1 1 473.595 2.242 40 0 JEABMO COc1ccc(N(CCCC(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)S(C)(=O)=O)cc1 ZINC000224581663 569949465 /nfs/dbraw/zinc/94/94/65/569949465.db2.gz HSEZCPVYJGIKLO-UHFFFAOYSA-N 1 1 475.611 2.390 40 0 JEABMO CS(=O)(=O)N(CC(=O)NCc1cccc(C[NH+]2CCOCC2)c1)c1ccccc1Br ZINC000224715766 569954550 /nfs/dbraw/zinc/95/45/50/569954550.db2.gz CUNAPPNOHPHRLM-UHFFFAOYSA-N 1 1 496.427 2.364 40 0 JEABMO COc1ccc(S(=O)(=O)NCc2cccc(C[NH+]3CCOCC3)c2)cc1C(=O)NC(C)C ZINC000224731878 569955215 /nfs/dbraw/zinc/95/52/15/569955215.db2.gz NMDXMOZLHVNKEV-UHFFFAOYSA-N 1 1 461.584 2.144 40 0 JEABMO O=C(NCc1cccc(C[NH+]2CCOCC2)c1)C1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000224736496 569955466 /nfs/dbraw/zinc/95/54/66/569955466.db2.gz PMTRILUXPZNRRQ-UHFFFAOYSA-N 1 1 471.623 2.377 40 0 JEABMO CN(CC(=O)NCc1cccc(C[NH+]2CCOCC2)c1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000224742730 569955628 /nfs/dbraw/zinc/95/56/28/569955628.db2.gz NSAMAKMIHBLSDI-UHFFFAOYSA-N 1 1 451.976 2.109 40 0 JEABMO Cc1cccc(N2C[C@@H](C(=O)Nc3ccccc3C(=O)NCCC[NH+]3CCOCC3)CC2=O)c1 ZINC000408616075 569975273 /nfs/dbraw/zinc/97/52/73/569975273.db2.gz VKKYBVGLEFCBBP-FQEVSTJZSA-N 1 1 464.566 2.439 40 0 JEABMO Cc1[nH+]ccn1CC(=O)N1CCC(COc2ccccc2)(CC(=O)N2CCN(C)CC2)CC1 ZINC000257199822 570107680 /nfs/dbraw/zinc/10/76/80/570107680.db2.gz AAYBXUPWWPCJJQ-UHFFFAOYSA-N 1 1 453.587 2.043 40 0 JEABMO CC(=O)NCC(=O)N[C@@H]1C[C@@H](Oc2cccc(C(F)(F)F)c2)[C@H](O)[C@H]1[N@@H+](C)Cc1ccccc1 ZINC000257209679 570110933 /nfs/dbraw/zinc/11/09/33/570110933.db2.gz BRLJCESRIADYQL-SCPDWHHUSA-N 1 1 479.499 2.339 40 0 JEABMO CC(C)n1nccc1CN1CCO[C@@](COc2ccc(F)cc2)(CC(=O)N2CC[NH+](C)CC2)C1 ZINC000257258899 570125993 /nfs/dbraw/zinc/12/59/93/570125993.db2.gz KVZBFCFYWTWMJV-VWLOTQADSA-N 1 1 473.593 2.417 40 0 JEABMO COc1cc(C[N@@H+]2CC[C@H](O)[C@@](O)(COc3ccc(F)cc3)C2)ccc1OCCn1ccnc1 ZINC000257280832 570132834 /nfs/dbraw/zinc/13/28/34/570132834.db2.gz OMPACJPHPJJJBF-DQEYMECFSA-N 1 1 471.529 2.487 40 0 JEABMO COc1cc(C[N@H+]2CC[C@H](O)[C@@](O)(COc3ccc(F)cc3)C2)ccc1OCCn1ccnc1 ZINC000257280832 570132835 /nfs/dbraw/zinc/13/28/35/570132835.db2.gz OMPACJPHPJJJBF-DQEYMECFSA-N 1 1 471.529 2.487 40 0 JEABMO O=C(c1ccc(-c2cncnc2)nc1)N1CC[N@@H+](Cc2ccccc2)C[C@@](O)(Cn2cccn2)C1 ZINC000257284841 570134039 /nfs/dbraw/zinc/13/40/39/570134039.db2.gz PENLSKUHRHOVAG-SANMLTNESA-N 1 1 469.549 2.124 40 0 JEABMO CCc1cc(C(=O)N2CC[C@H](Oc3ccc(F)cc3)[C@@H](CC(=O)N3CC[NH+](C)CC3)C2)on1 ZINC000257286603 570134656 /nfs/dbraw/zinc/13/46/56/570134656.db2.gz PMFDRJSXSCUZHC-UWJYYQICSA-N 1 1 458.534 2.450 40 0 JEABMO CC(=O)N1C[C@H](c2ccc(F)cc2)[C@H]2C[N@H+](CC(=O)Nc3ccc4[nH]c(=O)[nH]c4c3)CC[C@H]21 ZINC000257296253 570137393 /nfs/dbraw/zinc/13/73/93/570137393.db2.gz RBXITTKEWBTSED-WOIUINJBSA-N 1 1 451.502 2.270 40 0 JEABMO CC(=O)N1C[C@H](c2ccc(F)cc2)[C@H]2C[N@@H+](CC(=O)Nc3ccc4[nH]c(=O)[nH]c4c3)CC[C@H]21 ZINC000257296253 570137395 /nfs/dbraw/zinc/13/73/95/570137395.db2.gz RBXITTKEWBTSED-WOIUINJBSA-N 1 1 451.502 2.270 40 0 JEABMO CO[C@H]1C[N@H+](CC(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)CC[C@]12CCCO2 ZINC000257309385 570141218 /nfs/dbraw/zinc/14/12/18/570141218.db2.gz UASFCBZWJWOUCS-RBBKRZOGSA-N 1 1 451.589 2.070 40 0 JEABMO CO[C@H]1C[N@@H+](CC(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)CC[C@]12CCCO2 ZINC000257309385 570141219 /nfs/dbraw/zinc/14/12/19/570141219.db2.gz UASFCBZWJWOUCS-RBBKRZOGSA-N 1 1 451.589 2.070 40 0 JEABMO CCn1nc(C(=O)N2CC[C@H](Oc3ccc(F)cc3)[C@@H](CC(=O)N3CC[NH+](C)CC3)C2)cc1C ZINC000257311198 570141859 /nfs/dbraw/zinc/14/18/59/570141859.db2.gz UIIXHTHBMUDFNE-CVDCTZTESA-N 1 1 471.577 2.424 40 0 JEABMO Cc1nn(Cc2ccccc2)c(C)c1NC(=O)C[N@@H+]1CCC[C@@](C)(C(=O)N2CCOCC2)C1 ZINC000257323744 570145689 /nfs/dbraw/zinc/14/56/89/570145689.db2.gz WLQMMUSNWVXTKY-RUZDIDTESA-N 1 1 453.587 2.448 40 0 JEABMO Cc1nn(Cc2ccccc2)c(C)c1NC(=O)C[N@H+]1CCC[C@@](C)(C(=O)N2CCOCC2)C1 ZINC000257323744 570145690 /nfs/dbraw/zinc/14/56/90/570145690.db2.gz WLQMMUSNWVXTKY-RUZDIDTESA-N 1 1 453.587 2.448 40 0 JEABMO CCOc1ccc(N([C@H](C)C(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)S(C)(=O)=O)cc1 ZINC000260886048 570161612 /nfs/dbraw/zinc/16/16/12/570161612.db2.gz CQYGDWNFGQBXSP-LJQANCHMSA-N 1 1 475.611 2.388 40 0 JEABMO COc1ccc(OC)c(N([C@H](C)C(=O)NCc2cccc(C[NH+]3CCOCC3)c2)S(C)(=O)=O)c1 ZINC000260892663 570162101 /nfs/dbraw/zinc/16/21/01/570162101.db2.gz CKOAXJKWGBFKFM-GOSISDBHSA-N 1 1 491.610 2.007 40 0 JEABMO COc1ccc(C)cc1N([C@H](C)C(=O)NCc1cccc(C[NH+]2CCOCC2)c1)S(C)(=O)=O ZINC000260897676 570162457 /nfs/dbraw/zinc/16/24/57/570162457.db2.gz OOLBCYBUAIWQNU-LJQANCHMSA-N 1 1 475.611 2.307 40 0 JEABMO CC[NH+]1CCN(C(=O)CN(c2ccc(OC)cc2OC)S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000409326170 570202130 /nfs/dbraw/zinc/20/21/30/570202130.db2.gz HQVWQEXQUCGWMR-UHFFFAOYSA-N 1 1 461.584 2.372 40 0 JEABMO C[NH+]1CCN(C(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2ccc(Br)cc2)CC1 ZINC000408590337 570208994 /nfs/dbraw/zinc/20/89/94/570208994.db2.gz GCDFCNMTOZZSQL-IBGZPJMESA-N 1 1 466.401 2.113 40 0 JEABMO O=c1[nH]c2cc3c(cc2cc1[C@@H](c1nnnn1Cc1ccccc1)N1CC[N@H+]2CCC[C@H]2C1)OCCO3 ZINC000001222939 194074987 /nfs/dbraw/zinc/07/49/87/194074987.db2.gz IVFHQUJWUPNRMM-CPJSRVTESA-N 1 1 499.575 2.204 40 0 JEABMO COCCNC(=O)[C@@H](C)[C@H]1CC[C@@]2(C)Cc3sc(NC(=O)C[NH+](C)C)nc3[C@@H](C)[C@@H]2[C@H]1O ZINC000003840958 194363321 /nfs/dbraw/zinc/36/33/21/194363321.db2.gz CZKHWPWLRARADN-RTIIJKHOSA-N 1 1 466.648 2.095 40 0 biogenic,in-vitro JEABMO CN1CC[NH+](CCCNC(=O)CN(c2ccc(F)c(Cl)c2)S(=O)(=O)c2ccccc2)CC1 ZINC000022829862 523896545 /nfs/dbraw/zinc/89/65/45/523896545.db2.gz UWWAMFRQRAFSSW-UHFFFAOYSA-N 1 1 483.009 2.428 40 0 JEABMO CCc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C[C@H]3CCCO3)N3CC[N@H+]4CCC[C@@H]4C3)cc2c1 ZINC000022796537 524058523 /nfs/dbraw/zinc/05/85/23/524058523.db2.gz RPSAIRVSTJFWPO-VIZSFHNOSA-N 1 1 463.586 2.125 40 0 JEABMO COc1ccc2cc([C@@H](c3nnnn3Cc3ccc(F)cc3)N3CC[NH+](C)CC3)c(=O)[nH]c2c1 ZINC000020080352 555629098 /nfs/dbraw/zinc/62/90/98/555629098.db2.gz LCNWIFVKPIWSQQ-QFIPXVFZSA-N 1 1 463.517 2.047 40 0 JEABMO O=c1[nH]c2cc3c(cc2cc1[C@@H](c1nnnn1Cc1ccccc1)N1CC[N@H+]2CCC[C@@H]2C1)OCCO3 ZINC000020084360 555631617 /nfs/dbraw/zinc/63/16/17/555631617.db2.gz IVFHQUJWUPNRMM-NLFFAJNJSA-N 1 1 499.575 2.204 40 0 JEABMO CN1CC[NH+](CCCNC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccccc2)CC1 ZINC000022829429 555955389 /nfs/dbraw/zinc/95/53/89/555955389.db2.gz OTSQUEKBNNFBGX-UHFFFAOYSA-N 1 1 465.019 2.289 40 0 JEABMO CN1CC[NH+](CCCNC(=O)CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)CC1 ZINC000022829434 555955428 /nfs/dbraw/zinc/95/54/28/555955428.db2.gz FPHUPKXGYGEBBG-UHFFFAOYSA-N 1 1 465.019 2.289 40 0 JEABMO COc1ccc(CNC(=O)CC[C@H]2CNC(=O)[C@@H]3[C@@H](CCN3Cc3ccc(F)cc3)[N@H+]2C)cc1 ZINC000022922366 555975883 /nfs/dbraw/zinc/97/58/83/555975883.db2.gz SFAMLDMWECSONU-PWWKTKHKSA-N 1 1 468.573 2.304 40 0 biogenic,in-vitro JEABMO COc1ccc(OC)c([C@@H](c2nnnn2CCc2ccc(OC)c(OC)c2)N2CC[NH+](C)CC2)c1 ZINC000022930020 555983158 /nfs/dbraw/zinc/98/31/58/555983158.db2.gz IGZXSSJWCGNAEG-DEOSSOPVSA-N 1 1 482.585 2.287 40 0 JEABMO Cc1ccc(CN(c2ccc(C(=O)NCCC[NH+]3CCN(C)CC3)cc2)S(C)(=O)=O)cc1 ZINC000022935161 555987920 /nfs/dbraw/zinc/98/79/20/555987920.db2.gz ULSDUKJRRNGPBK-UHFFFAOYSA-N 1 1 458.628 2.329 40 0 JEABMO O=C(NCc1ccc(C[NH+]2CCOCC2)cc1)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 ZINC000023958575 556106837 /nfs/dbraw/zinc/10/68/37/556106837.db2.gz MNEOBVXVYBAIST-OAQYLSRUSA-N 1 1 475.586 2.375 40 0 JEABMO C[C@@H](O)[C@H]1[NH2+][C@]2(C(=O)Nc3c2cccc3Cl)[C@@H]2C(=O)N(Cc3ccccc3Cl)C(=O)[C@@H]21 ZINC000016010195 556109494 /nfs/dbraw/zinc/10/94/94/556109494.db2.gz IELZRDWZZNFRMY-DMYLRXAQSA-N 1 1 460.317 2.295 40 0 JEABMO Cc1ccc2[nH]c(=O)c(CN(CCC[NH+]3CCOCC3)C(=S)NC[C@H]3CCCO3)cc2c1 ZINC000026100131 556241211 /nfs/dbraw/zinc/24/12/11/556241211.db2.gz CIWPUYKANAWTEW-OAQYLSRUSA-N 1 1 458.628 2.414 40 0 JEABMO COCCn1nnnc1[C@@H](c1cc2cc(C)ccc2[nH]c1=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000019220891 556334919 /nfs/dbraw/zinc/33/49/19/556334919.db2.gz ZQIWZLAYQFWBJM-XMMPIXPASA-N 1 1 473.581 2.377 40 0 JEABMO CS(=O)(=O)N(CC(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)c1cccc(Cl)c1 ZINC000029933759 556360436 /nfs/dbraw/zinc/36/04/36/556360436.db2.gz JGVPOGCPPGXDEI-UHFFFAOYSA-N 1 1 451.976 2.255 40 0 JEABMO COc1ccc(S(=O)(=O)NCc2ccc(-n3cc[nH+]c3C)cc2)cc1C(=O)N1CCOCC1 ZINC000030871245 556385145 /nfs/dbraw/zinc/38/51/45/556385145.db2.gz XNDKFOGUHIZSLJ-UHFFFAOYSA-N 1 1 470.551 2.140 40 0 JEABMO C[N@H+]1[C@@H]2CCN(Cc3ccccc3)[C@@H]2C(=O)NC[C@@H]1CCC(=O)N1CCN(c2ccccc2)CC1 ZINC000035442439 560080032 /nfs/dbraw/zinc/08/00/32/560080032.db2.gz GGYREFJUUKSMNP-WEWMWRJBSA-N 1 1 475.637 2.189 40 0 biogenic,in-vitro JEABMO CN1[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C(=O)NC[C@@H]1CCC(=O)N1CCN(c2ccccc2)CC1 ZINC000035442439 560080033 /nfs/dbraw/zinc/08/00/33/560080033.db2.gz GGYREFJUUKSMNP-WEWMWRJBSA-N 1 1 475.637 2.189 40 0 biogenic,in-vitro JEABMO CN1[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C(=O)NC[C@@H]1CCC(=O)N1CCN(c2ccccc2)CC1 ZINC000035442439 560080034 /nfs/dbraw/zinc/08/00/34/560080034.db2.gz GGYREFJUUKSMNP-WEWMWRJBSA-N 1 1 475.637 2.189 40 0 biogenic,in-vitro JEABMO CC[NH+]1CCN(C(=O)c2nnc3sc(-c4cccc(I)c4)nn32)CC1 ZINC000062702351 569614292 /nfs/dbraw/zinc/61/42/92/569614292.db2.gz UGCQPLJAYKSBQO-UHFFFAOYSA-N 1 1 468.324 2.235 40 0 JEABMO COc1ccc(OC)c(N2C(=O)[C@@H]3[C@@H](C2=O)[C@]2(C(=O)Nc4ccc(F)cc42)[N@H+]2CCC[C@@H]32)c1 ZINC000035843313 569714302 /nfs/dbraw/zinc/71/43/02/569714302.db2.gz JBYKRIKLSNXLGD-UBPTVHNVSA-N 1 1 451.454 2.274 40 0 JEABMO COc1ccc(OC)c(N2C(=O)[C@@H]3[C@@H](C2=O)[C@]2(C(=O)Nc4ccc(F)cc42)[N@@H+]2CCC[C@@H]32)c1 ZINC000035843313 569714303 /nfs/dbraw/zinc/71/43/03/569714303.db2.gz JBYKRIKLSNXLGD-UBPTVHNVSA-N 1 1 451.454 2.274 40 0 JEABMO CN1CC[NH+](CCCNC(=O)C2CCN(S(=O)(=O)Cc3ccc(Cl)cc3Cl)CC2)CC1 ZINC000038756465 569807229 /nfs/dbraw/zinc/80/72/29/569807229.db2.gz QCGXGMNRBJPFOX-UHFFFAOYSA-N 1 1 491.485 2.289 40 0 JEABMO CS(=O)(=O)N1C[C@@H](C(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)Oc2ccc(Cl)cc21 ZINC000038831882 569808631 /nfs/dbraw/zinc/80/86/31/569808631.db2.gz LAOFACCOGSBTGH-NRFANRHFSA-N 1 1 479.986 2.016 40 0 JEABMO COc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3cccc(C[NH+]4CCOCC4)c3)CC2)cc1 ZINC000108638200 569859620 /nfs/dbraw/zinc/85/96/20/569859620.db2.gz HNXIRLLXFLBMLV-UHFFFAOYSA-N 1 1 487.622 2.245 40 0 JEABMO Cc1ccc(C)c(N(CC(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)S(=O)(=O)N(C)C)c1 ZINC000224564809 569948652 /nfs/dbraw/zinc/94/86/52/569948652.db2.gz CXCJQKBWUNMDHO-UHFFFAOYSA-N 1 1 474.627 2.065 40 0 JEABMO CN(c1ccc(C(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)c(Cl)c1)S(C)(=O)=O ZINC000224583706 569949525 /nfs/dbraw/zinc/94/95/25/569949525.db2.gz IBXKFYOHMLJXDU-UHFFFAOYSA-N 1 1 451.976 2.498 40 0 JEABMO O=C(NCc1ccc(C[NH+]2CCOCC2)cc1)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1 ZINC000224589325 569949763 /nfs/dbraw/zinc/94/97/63/569949763.db2.gz NGBRASRYARJJLI-QFIPXVFZSA-N 1 1 457.596 2.236 40 0 JEABMO CS(=O)(=O)N(CC(=O)NCc1cccc(C[NH+]2CCOCC2)c1)c1ccc(Br)cc1 ZINC000224714205 569954508 /nfs/dbraw/zinc/95/45/08/569954508.db2.gz LEADGVLXKKFSTN-UHFFFAOYSA-N 1 1 496.427 2.364 40 0 JEABMO COc1ccc(OC)c(N([C@@H](C)C(=O)NCc2cccc(C[NH+]3CCOCC3)c2)S(C)(=O)=O)c1 ZINC000224744995 569955748 /nfs/dbraw/zinc/95/57/48/569955748.db2.gz CKOAXJKWGBFKFM-SFHVURJKSA-N 1 1 491.610 2.007 40 0 JEABMO COc1ccc(S(=O)(=O)N(C)C)cc1CCC(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000224754040 569956084 /nfs/dbraw/zinc/95/60/84/569956084.db2.gz ZLHSDIKJLPVMAB-UHFFFAOYSA-N 1 1 475.611 2.027 40 0 JEABMO CSc1ccc(S(=O)(=O)N(C)CC(=O)NCc2cccc(C[NH+]3CCOCC3)c2)cc1 ZINC000224755653 569956167 /nfs/dbraw/zinc/95/61/67/569956167.db2.gz WEWUUEHFKSZSIG-UHFFFAOYSA-N 1 1 463.625 2.178 40 0 JEABMO Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NCCC[NH+]3CCOCC3)cc2)cc1C ZINC000408593776 569965184 /nfs/dbraw/zinc/96/51/84/569965184.db2.gz OEJODUZMZDCPNZ-UHFFFAOYSA-N 1 1 461.584 2.322 40 0 JEABMO COc1ccc(C)cc1S(=O)(=O)N(CC(=O)NCCC[NH+]1CCOCC1)c1ccc(C)cc1 ZINC000408624321 569979702 /nfs/dbraw/zinc/97/97/02/569979702.db2.gz SHXMRTBUXVNJBY-UHFFFAOYSA-N 1 1 475.611 2.346 40 0 JEABMO COc1cccc(N(CC(=O)NCCC[NH+]2CCOCC2)S(=O)(=O)c2cc(C)ccc2OC)c1 ZINC000408626465 569980657 /nfs/dbraw/zinc/98/06/57/569980657.db2.gz ZAIDBWZWEWOLKA-UHFFFAOYSA-N 1 1 491.610 2.046 40 0 JEABMO COc1ccc(S(=O)(=O)N(C)CC(=O)NCc2ccc(-n3cc[nH+]c3C)cc2)cc1OC ZINC000225721206 570017493 /nfs/dbraw/zinc/01/74/93/570017493.db2.gz UKFCETLANKRKRQ-UHFFFAOYSA-N 1 1 458.540 2.135 40 0 JEABMO CCC[N@@H+]1Cc2ccccc2OC/C=C\[C@H]2CN(CC[C@H]2CC(=O)N2CC[C@@H](O)C2)C(=O)C1 ZINC000253400619 570096571 /nfs/dbraw/zinc/09/65/71/570096571.db2.gz LLGZRCYAYFKLMX-VUKYNOIASA-N 1 1 455.599 2.295 40 0 JEABMO CCC[N@H+]1Cc2ccccc2OC/C=C\[C@H]2CN(CC[C@H]2CC(=O)N2CC[C@@H](O)C2)C(=O)C1 ZINC000253400619 570096573 /nfs/dbraw/zinc/09/65/73/570096573.db2.gz LLGZRCYAYFKLMX-VUKYNOIASA-N 1 1 455.599 2.295 40 0 JEABMO Cn1cnc(C(=O)N[C@@H]2C[C@@H](Oc3cccc(F)c3)[C@H](O)[C@H]2[NH+]2CCN(c3ccccc3)CC2)c1 ZINC000257199846 570107755 /nfs/dbraw/zinc/10/77/55/570107755.db2.gz AAZUKOYBGFKBAR-VGCGRUFVSA-N 1 1 479.556 2.061 40 0 JEABMO O=C(N[C@@H]1C[C@@H](Oc2cccc(F)c2)[C@H](O)[C@H]1[NH+]1CCN(c2ccccc2)CC1)c1ccn[nH]1 ZINC000257208264 570110365 /nfs/dbraw/zinc/11/03/65/570110365.db2.gz BLJTWACHWSPRCK-LWSSLDFYSA-N 1 1 465.529 2.050 40 0 JEABMO CNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCN1CC(=O)Nc1ccc(N2CCOCC2)c(Cl)c1 ZINC000257221165 570114409 /nfs/dbraw/zinc/11/44/09/570114409.db2.gz DNTUIQURXILTNG-QHCPKHFHSA-N 1 1 486.016 2.048 40 0 JEABMO CNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCN1CC(=O)Nc1ccc(N2CCOCC2)c(Cl)c1 ZINC000257221165 570114410 /nfs/dbraw/zinc/11/44/10/570114410.db2.gz DNTUIQURXILTNG-QHCPKHFHSA-N 1 1 486.016 2.048 40 0 JEABMO Cc1cc(Nc2cc(N3CC[NH+](C)CC3)nc(CC3CCN(C(=O)[C@H]4CCCCO4)CC3)n2)n[nH]1 ZINC000257243616 570121184 /nfs/dbraw/zinc/12/11/84/570121184.db2.gz IHULJMOYXCGDPR-HXUWFJFHSA-N 1 1 482.633 2.354 40 0 JEABMO O=C1CO[C@]2(CN1Cc1ccc(F)cc1)CCC[N@@H+](Cc1ccnc(N3CCOCC3)n1)CC2 ZINC000257249039 570122888 /nfs/dbraw/zinc/12/28/88/570122888.db2.gz JGKSPICDRVLPRV-RUZDIDTESA-N 1 1 469.561 2.236 40 0 JEABMO COc1ccc(NC(C)=O)c(NC(=O)CN2CC[C@@H]3[C@@H](c4ccccc4)[N@@H+](C)C[C@]3(NC(C)=O)C2)c1 ZINC000257252222 570123817 /nfs/dbraw/zinc/12/38/17/570123817.db2.gz JTZHDMDEAIWXIA-XCRWMPKNSA-N 1 1 493.608 2.476 40 0 JEABMO COc1ccc(Nc2ncccc2C(=O)N2CC[N@@H+](C)C[C@@](O)(Cn3ccnc3C)C2)cc1 ZINC000257258533 570125780 /nfs/dbraw/zinc/12/57/80/570125780.db2.gz KUKQAHZGHUECFR-XMMPIXPASA-N 1 1 450.543 2.158 40 0 JEABMO Cc1ccnn1CCC(=O)N1CC[C@H](Oc2ccc(F)cc2)[C@@H](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000257284485 570133959 /nfs/dbraw/zinc/13/39/59/570133959.db2.gz PCWLPZZTUDWXAA-REWPJTCUSA-N 1 1 471.577 2.181 40 0 JEABMO CC(=O)N[C@@H]1CO[C@@H]2CCC[N@@H+](Cc3ccc(OCCCN4CCCC4=O)cc3)[C@@H]2C[C@@]1(C)O ZINC000257308427 570140888 /nfs/dbraw/zinc/14/08/88/570140888.db2.gz TWQYBFIPBXOUNW-PMHJDTQVSA-N 1 1 473.614 2.087 40 0 JEABMO Cc1c(NC(=O)CN2CC[N@@H+](Cc3ccccc3)C[C@@H](Cc3cc(N(C)C)ncn3)C2)cnn1C ZINC000257310920 570141717 /nfs/dbraw/zinc/14/17/17/570141717.db2.gz UHENMQLJUUAHJI-JOCHJYFZSA-N 1 1 476.629 2.200 40 0 JEABMO CCn1c2ccc(NC(=O)CN3C[C@]4(NC(C)=O)C[N@@H+](C)CC[C@@H]4[C@H]3c3ccccc3)cc2oc1=O ZINC000257314652 570142813 /nfs/dbraw/zinc/14/28/13/570142813.db2.gz UXXLOXGWXLERJC-FZBZCGEPSA-N 1 1 491.592 2.436 40 0 JEABMO C[NH+]1CCN(C(=O)C[C@]2(COc3cccc(Cl)c3)CCCN(C(=O)Cn3cccn3)C2)CC1 ZINC000257330117 570147609 /nfs/dbraw/zinc/14/76/09/570147609.db2.gz XMXNNXLDINTNPS-XMMPIXPASA-N 1 1 474.005 2.388 40 0 JEABMO CN(C)C(=O)[C@@H]1C[C@@H](NC(=O)C(C)(C)NC(=O)Cc2ccc(F)cc2)[C@H](c2ccccc2)[N@@H+]1C ZINC000257332384 570148335 /nfs/dbraw/zinc/14/83/35/570148335.db2.gz XXCDBIQWKHOBIG-GIWBLDEGSA-N 1 1 468.573 2.281 40 0 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O=C(NCc1ccc(C[NH+]2CCOCC2)cc1)[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 ZINC000021936238 195336534 /nfs/dbraw/zinc/33/65/34/195336534.db2.gz XAKQEPJJMAXEHS-HXUWFJFHSA-N 1 1 463.625 2.297 40 0 JEABMO COc1ccc(NS(=O)(=O)c2ccc(OCC(=O)N3CC[NH+](C)CC3)c(Cl)c2)cc1 ZINC000408635414 195484746 /nfs/dbraw/zinc/48/47/46/195484746.db2.gz ATNISYXRZSVZAK-UHFFFAOYSA-N 1 1 453.948 2.302 40 0 JEABMO COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NCc1ccccc1-n1cc[nH+]c1C ZINC000044849609 525041270 /nfs/dbraw/zinc/04/12/70/525041270.db2.gz ANGACUXLQTXWLN-UHFFFAOYSA-N 1 1 470.551 2.140 40 0 JEABMO O=C(NCc1ccc(C[NH+]2CCOCC2)cc1)C1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000029715291 526657369 /nfs/dbraw/zinc/65/73/69/526657369.db2.gz SGWKCOFZRCILEN-UHFFFAOYSA-N 1 1 463.625 2.297 40 0 JEABMO O=C(NCc1ccc(C[NH+]2CCOCC2)cc1)C1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000033221020 526657413 /nfs/dbraw/zinc/65/74/13/526657413.db2.gz YKTUMMRXVSINCG-UHFFFAOYSA-N 1 1 471.623 2.377 40 0 JEABMO CCOC(=O)Cn1nnnc1C[N@H+](Cc1cc2cc(OC)ccc2[nH]c1=O)C1CCCCC1 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OPUMDQQQIRTWAQ-UHFFFAOYSA-N 1 1 488.654 2.261 40 0 JEABMO COc1ccc(Cn2nnnc2[C@H](c2cc3cc(C)ccc3[nH]c2=O)N2CC[NH+](C)CC2)cc1 ZINC000022871705 555962792 /nfs/dbraw/zinc/96/27/92/555962792.db2.gz LZYOGYTYPJFBSG-QHCPKHFHSA-N 1 1 459.554 2.217 40 0 JEABMO COc1ccc(Cn2nnnc2[C@@H](c2cc3cc(C)ccc3[nH]c2=O)N2CC[NH+](C)CC2)cc1 ZINC000022871753 555962822 /nfs/dbraw/zinc/96/28/22/555962822.db2.gz LZYOGYTYPJFBSG-HSZRJFAPSA-N 1 1 459.554 2.217 40 0 JEABMO Cc1ccc(N(CC(=O)NCCC[NH+]2CCN(C)CC2)S(=O)(=O)c2ccccc2)cc1C ZINC000022933931 555986673 /nfs/dbraw/zinc/98/66/73/555986673.db2.gz FECNKICXDAISMH-UHFFFAOYSA-N 1 1 458.628 2.252 40 0 JEABMO CCOc1ccc(N(CC(=O)NCCC[NH+]2CCN(C)CC2)S(=O)(=O)c2ccccc2)cc1 ZINC000022934739 555987477 /nfs/dbraw/zinc/98/74/77/555987477.db2.gz ZIGGSYNOIXOLIE-UHFFFAOYSA-N 1 1 474.627 2.034 40 0 JEABMO Cc1cc(C)cc(N(CC(=O)NCCC[NH+]2CCN(C)CC2)S(=O)(=O)c2ccccc2)c1 ZINC000022935008 555987759 /nfs/dbraw/zinc/98/77/59/555987759.db2.gz DHSDLXSBKPHQBW-UHFFFAOYSA-N 1 1 458.628 2.252 40 0 JEABMO 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Cc1cccc2cc(CN(C[C@@H]3CCCO3)C(=S)NCCC[NH+]3CCOCC3)c(=O)[nH]c12 ZINC000019822798 556392700 /nfs/dbraw/zinc/39/27/00/556392700.db2.gz PZGNPPYMBXXXHY-NRFANRHFSA-N 1 1 458.628 2.414 40 0 JEABMO COC(=O)c1cccc(C(=O)N2C[C@@H]3C[C@@H](O)C[N@@H+]3C3(CN(Cc4cnc5ccccc5c4)C3)C2)c1 ZINC000514290134 560030728 /nfs/dbraw/zinc/03/07/28/560030728.db2.gz UELGVOAHJGJMKK-BJKOFHAPSA-N 1 1 486.572 2.167 40 0 biogenic,in-vitro JEABMO COC(=O)c1cccc(C(=O)N2C[C@@H]3C[C@@H](O)C[N@H+]3C3(CN(Cc4cnc5ccccc5c4)C3)C2)c1 ZINC000514290134 560030729 /nfs/dbraw/zinc/03/07/29/560030729.db2.gz UELGVOAHJGJMKK-BJKOFHAPSA-N 1 1 486.572 2.167 40 0 biogenic,in-vitro JEABMO COc1ccc(CNC(=O)CC[C@H]2CNC(=O)[C@@H]3[C@@H](CCN3Cc3ccc(OC)cc3)[N@H+]2C)cc1 ZINC000035442415 560080056 /nfs/dbraw/zinc/08/00/56/560080056.db2.gz FUYHTMLYXBZJRZ-NZJKTDFXSA-N 1 1 480.609 2.174 40 0 biogenic,in-vitro JEABMO CC(=O)N1CCC([N@@H+]2C[C@H]3C[C@H](Cn4c(=O)ccc(NS(=O)(=O)c5cccs5)c43)C2)CC1 ZINC000035415768 560081411 /nfs/dbraw/zinc/08/14/11/560081411.db2.gz CLZIFXWOLUMGJZ-DLBZAZTESA-N 1 1 476.624 2.141 40 0 biogenic,in-vitro JEABMO CCOC(=O)C[C@@]12C(=O)NCC[N@@H+]1[C@@H](c1ccc(C)cc1)[C@H]1C(=O)N(c3ccc(C)cc3)C(=O)[C@H]12 ZINC000095115761 569721949 /nfs/dbraw/zinc/72/19/49/569721949.db2.gz XMLXGBKNGMFWHC-RNLGNXJRSA-N 1 1 475.545 2.288 40 0 JEABMO O=C(CNC(=O)c1ccccc1)NC[C@H]1CC[C@H](C(=O)N2CC[NH+](CCc3ccncc3)CC2)CC1 ZINC000101440492 569797649 /nfs/dbraw/zinc/79/76/49/569797649.db2.gz QOXYAEWAXAHASC-GUOBSTCESA-N 1 1 491.636 2.121 40 0 JEABMO CS(=O)(=O)N1C[C@@H](C(=O)NCc2cccc(C[NH+]3CCOCC3)c2)Oc2ccc(Cl)cc21 ZINC000038831894 569808710 /nfs/dbraw/zinc/80/87/10/569808710.db2.gz GUPXWDKHXJEMLJ-NRFANRHFSA-N 1 1 479.986 2.016 40 0 JEABMO COc1ccc(S(=O)(=O)NCc2ccccc2-n2cc[nH+]c2C)cc1C(=O)N1CCOCC1 ZINC000216334602 569878338 /nfs/dbraw/zinc/87/83/38/569878338.db2.gz JMMXYFDEFAFJIX-UHFFFAOYSA-N 1 1 470.551 2.140 40 0 JEABMO CN(C)S(=O)(=O)N1CCC[C@@H](C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)C1 ZINC000216368101 569878581 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XHTCQKWHSAQMQZ-OAQYLSRUSA-N 1 1 457.596 2.440 40 0 JEABMO CN1CC[NH+](CCCNC(=O)C2CCN(S(=O)(=O)Cc3c(Cl)cccc3Cl)CC2)CC1 ZINC000030863589 556382864 /nfs/dbraw/zinc/38/28/64/556382864.db2.gz NNCAPMYXJDURAK-UHFFFAOYSA-N 1 1 491.485 2.289 40 0 JEABMO CCS(=O)(=O)N(CC(=O)NCc1ccccc1-n1cc[nH+]c1C)c1ccc2c(c1)OCCO2 ZINC000030865172 556383267 /nfs/dbraw/zinc/38/32/67/556383267.db2.gz XJIMSOUFXOMIGS-UHFFFAOYSA-N 1 1 470.551 2.424 40 0 JEABMO O=C(Cc1cccs1)N[C@H]1CO[C@@H](C[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)[C@@H]1O ZINC000514288554 560034573 /nfs/dbraw/zinc/03/45/73/560034573.db2.gz IBPMEIGMWAXHBF-IRFCIJBXSA-N 1 1 469.529 2.376 40 0 biogenic,in-vitro JEABMO COc1ccc(OC)c(N2C(=O)[C@@H]3[C@H](C2=O)[C@H]2CCC[N@@H+]2[C@@]32C(=O)Nc3ccc(F)cc32)c1 ZINC000035843314 569714308 /nfs/dbraw/zinc/71/43/08/569714308.db2.gz JBYKRIKLSNXLGD-AYFLJRIOSA-N 1 1 451.454 2.274 40 0 JEABMO COc1ccc(OC)c(N2C(=O)[C@@H]3[C@H](C2=O)[C@H]2CCC[N@H+]2[C@@]32C(=O)Nc3ccc(F)cc32)c1 ZINC000035843314 569714309 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OZILTQIHNMLARQ-UHFFFAOYSA-N 1 1 460.600 2.312 40 0 JEABMO CCN(CC)S(=O)(=O)N1CCC(C2CC[NH+]([C@@H]3CC(=O)N(c4ccc(F)cc4)C3=O)CC2)CC1 ZINC000015084366 555874606 /nfs/dbraw/zinc/87/46/06/555874606.db2.gz IGIIMNPTSXFCGG-JOCHJYFZSA-N 1 1 494.633 2.468 40 0 JEABMO COc1ccc(NC(=S)N[C@H]2C[C@H]3C(=O)NC[C@@H](CCC(=O)NCc4cccs4)[N@H+]3C2)cc1 ZINC000015708029 555953216 /nfs/dbraw/zinc/95/32/16/555953216.db2.gz QCNNMTMHOUZJIA-QKLQHJQFSA-N 1 1 487.651 2.081 40 0 biogenic,in-vitro JEABMO COc1ccc(NC(=S)N[C@H]2C[C@H]3C(=O)NC[C@@H](CCC(=O)NCc4cccs4)[N@@H+]3C2)cc1 ZINC000015708029 555953219 /nfs/dbraw/zinc/95/32/19/555953219.db2.gz QCNNMTMHOUZJIA-QKLQHJQFSA-N 1 1 487.651 2.081 40 0 biogenic,in-vitro JEABMO CCOc1ccc(N(CC(=O)NCCC[NH+]2CCN(C)CC2)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000022829790 555955859 /nfs/dbraw/zinc/95/58/59/555955859.db2.gz LEOVWOMDHRRFDX-UHFFFAOYSA-N 1 1 492.617 2.173 40 0 JEABMO COc1ccc(Cn2nnnc2[C@H](c2cc3cccc(C)c3[nH]c2=O)N2CC[NH+](C)CC2)cc1 ZINC000022872854 555962855 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BWGQRSABYJFFQJ-NRFANRHFSA-N 1 1 471.579 2.028 40 0 JEABMO C[NH+]1CCN([C@@H](c2nnnn2C2CCCCC2)c2cc3cc4c(cc3[nH]c2=O)OCO4)CC1 ZINC000019589837 556355735 /nfs/dbraw/zinc/35/57/35/556355735.db2.gz GNHWBZRNKUCSCP-OAQYLSRUSA-N 1 1 451.531 2.085 40 0 JEABMO Cc1ccc2cc(CN(CCC[NH+]3CCOCC3)C(=S)NC[C@@H]3CCCO3)c(=O)[nH]c2c1 ZINC000019822652 556392368 /nfs/dbraw/zinc/39/23/68/556392368.db2.gz ZUIBUELLUMARPY-NRFANRHFSA-N 1 1 458.628 2.414 40 0 JEABMO O=C(N[C@H]1CO[C@@H](C[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)[C@@H]1O)c1cccs1 ZINC000514289114 560033491 /nfs/dbraw/zinc/03/34/91/560033491.db2.gz OWCZNKLSULXVEF-JENIJYKNSA-N 1 1 455.502 2.447 40 0 biogenic,in-vitro JEABMO COc1ccc(S(=O)(=O)NC[C@H]2C[C@@H]3CCN2C[C@@H]3C[N@@H+](C)CCc2ccccn2)cc1 ZINC000067870728 560050593 /nfs/dbraw/zinc/05/05/93/560050593.db2.gz KWGWVJPSFRKJRA-JAXLGGSGSA-N 1 1 458.628 2.253 40 0 biogenic,in-vitro JEABMO C[C@@H](NS(=O)(=O)c1ccc(Br)cc1)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000034951702 569673544 /nfs/dbraw/zinc/67/35/44/569673544.db2.gz FCUZOUABIJKCJS-MRXNPFEDSA-N 1 1 466.401 2.460 40 0 JEABMO O=C(NCCCN1CCOCC1)c1ccc2ccc(N3CC[NH+](Cc4cccnc4)CC3)n2c1 ZINC000096038404 569732425 /nfs/dbraw/zinc/73/24/25/569732425.db2.gz UMMMNOIBUTVYFI-UHFFFAOYSA-N 1 1 462.598 2.109 40 0 JEABMO O=C(NCc1cccc(C[NH+]2CCOCC2)c1)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1 ZINC000108031360 569858339 /nfs/dbraw/zinc/85/83/39/569858339.db2.gz CCYNHLZBTYSTOR-QFIPXVFZSA-N 1 1 457.596 2.236 40 0 JEABMO O=C(CCCC(=O)N1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12)NC[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000205690639 569874137 /nfs/dbraw/zinc/87/41/37/569874137.db2.gz WRIRMGCYTGRDFK-FNAHDJPLSA-N 1 1 454.615 2.345 40 0 JEABMO COCCNS(=O)(=O)c1ccc(OCC(=O)NCCNc2cc[nH+]c3cc(Cl)ccc23)cc1 ZINC000222745218 569890155 /nfs/dbraw/zinc/89/01/55/569890155.db2.gz BNFIDJXZNPZNJI-UHFFFAOYSA-N 1 1 492.985 2.420 40 0 JEABMO CS(=O)(=O)N(CC(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)c1ccccc1Cl ZINC000224548147 569947974 /nfs/dbraw/zinc/94/79/74/569947974.db2.gz VJGVOFZXAJMJSX-UHFFFAOYSA-N 1 1 451.976 2.255 40 0 JEABMO COc1ccc(N(CC(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)S(C)(=O)=O)cc1Cl ZINC000224549730 569948057 /nfs/dbraw/zinc/94/80/57/569948057.db2.gz IHNDTPWIFBVBBD-UHFFFAOYSA-N 1 1 482.002 2.263 40 0 JEABMO COc1ccc(S(=O)(=O)NCc2cccc(C[NH+]3CCOCC3)c2)cc1C(=O)N1CCCC1 ZINC000224725637 569954883 /nfs/dbraw/zinc/95/48/83/569954883.db2.gz VFPHNBMGVHWAFC-UHFFFAOYSA-N 1 1 473.595 2.242 40 0 JEABMO O=C(NCc1cccc(C[NH+]2CCOCC2)c1)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl ZINC000224728218 569955006 /nfs/dbraw/zinc/95/50/06/569955006.db2.gz YAKLTZXTBKSRSJ-UHFFFAOYSA-N 1 1 494.013 2.123 40 0 JEABMO CC[C@H](C(=O)NCc1cccc(C[NH+]2CCOCC2)c1)N(c1cccc(OC)c1)S(C)(=O)=O ZINC000224746765 569955819 /nfs/dbraw/zinc/95/58/19/569955819.db2.gz MRIVENPDPOECIR-HSZRJFAPSA-N 1 1 475.611 2.388 40 0 JEABMO CC[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000224753890 569956079 /nfs/dbraw/zinc/95/60/79/569956079.db2.gz UDGRFCFBJXPRQP-QHCPKHFHSA-N 1 1 475.611 2.388 40 0 JEABMO CS(=O)(=O)N(CC(=O)NCCC[NH+]1CCOCC1)c1cc(Cl)c(Cl)cc1Cl ZINC000408621445 569978311 /nfs/dbraw/zinc/97/83/11/569978311.db2.gz RXTXWAGZHWBNON-UHFFFAOYSA-N 1 1 458.795 2.251 40 0 JEABMO O=C(NCCC[NH+]1CCOCC1)c1ccccc1NC(=O)[C@H]1CC(=O)N(c2ccc(F)cc2)C1 ZINC000408616216 569975364 /nfs/dbraw/zinc/97/53/64/569975364.db2.gz XMZCKCFWJDPCTK-SFHVURJKSA-N 1 1 468.529 2.269 40 0 JEABMO CCOc1ccccc1N(CC(=O)NCCC[NH+]1CCOCC1)S(=O)(=O)c1ccc(C)cc1 ZINC000408616565 569975673 /nfs/dbraw/zinc/97/56/73/569975673.db2.gz AKKAATRMJVNKIW-UHFFFAOYSA-N 1 1 475.611 2.428 40 0 JEABMO COc1ccc(Cl)cc1S(=O)(=O)N[C@H](C)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000408622165 569978625 /nfs/dbraw/zinc/97/86/25/569978625.db2.gz MSFCECMUZHZUJC-MRXNPFEDSA-N 1 1 451.976 2.360 40 0 JEABMO COc1ccc(N(CC(=O)NCCC[NH+]2CCOCC2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000408629861 569981910 /nfs/dbraw/zinc/98/19/10/569981910.db2.gz JGHFBOZBXANERU-UHFFFAOYSA-N 1 1 461.584 2.037 40 0 JEABMO C[C@H](C(=O)NCCC[NH+]1CCOCC1)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O ZINC000408630878 569982557 /nfs/dbraw/zinc/98/25/57/569982557.db2.gz XLQBMIPBTSABOC-LJQANCHMSA-N 1 1 461.584 2.472 40 0 JEABMO COc1ccc(Cl)cc1S(=O)(=O)N(CC(=O)NCCC[NH+]1CCOCC1)Cc1ccccc1 ZINC000408635879 569986185 /nfs/dbraw/zinc/98/61/85/569986185.db2.gz IVUZQTAORFCEPT-UHFFFAOYSA-N 1 1 496.029 2.378 40 0 JEABMO O=CN1CCN(C(=O)C[C@@H]2CCN3C[C@@H]2/C=C\COc2ccccc2C[N@H+](CC2CC2)CC3=O)CC1 ZINC000253395837 570095898 /nfs/dbraw/zinc/09/58/98/570095898.db2.gz CPEQFOSAYOJHKQ-XTENPYMWSA-N 1 1 494.636 2.003 40 0 JEABMO O=CN1CCN(C(=O)C[C@@H]2CCN3C[C@@H]2/C=C\COc2ccccc2C[N@@H+](CC2CC2)CC3=O)CC1 ZINC000253395837 570095899 /nfs/dbraw/zinc/09/58/99/570095899.db2.gz CPEQFOSAYOJHKQ-XTENPYMWSA-N 1 1 494.636 2.003 40 0 JEABMO Nc1ncc(-c2cccc(C(F)(F)F)c2)c([C@@H]2CCCCN2C(=O)CN2CC[NH+](CCO)CC2)n1 ZINC000257220458 570114311 /nfs/dbraw/zinc/11/43/11/570114311.db2.gz DKXFDEPTGUVKST-FQEVSTJZSA-N 1 1 492.546 2.408 40 0 JEABMO CNC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCN1CC(=O)Nc1ccc(N2CCOCC2)c(Cl)c1 ZINC000257221164 570114470 /nfs/dbraw/zinc/11/44/70/570114470.db2.gz DNTUIQURXILTNG-HSZRJFAPSA-N 1 1 486.016 2.048 40 0 JEABMO CNC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCN1CC(=O)Nc1ccc(N2CCOCC2)c(Cl)c1 ZINC000257221164 570114471 /nfs/dbraw/zinc/11/44/71/570114471.db2.gz DNTUIQURXILTNG-HSZRJFAPSA-N 1 1 486.016 2.048 40 0 JEABMO NC(=O)[C@]1(c2ccccn2)CCC[N@H+](CC(=O)Nc2ccc(N3CCOCC3)c(Cl)c2)C1 ZINC000257225098 570115565 /nfs/dbraw/zinc/11/55/65/570115565.db2.gz FEUKMUITBIOKLK-HSZRJFAPSA-N 1 1 457.962 2.029 40 0 JEABMO NC(=O)[C@]1(c2ccccn2)CCC[N@@H+](CC(=O)Nc2ccc(N3CCOCC3)c(Cl)c2)C1 ZINC000257225098 570115567 /nfs/dbraw/zinc/11/55/67/570115567.db2.gz FEUKMUITBIOKLK-HSZRJFAPSA-N 1 1 457.962 2.029 40 0 JEABMO NC(=O)[C@]1(c2ccccn2)CCC[N@H+](CC(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)C1 ZINC000257242711 570120928 /nfs/dbraw/zinc/12/09/28/570120928.db2.gz IDUBAXHALYQKOK-HSZRJFAPSA-N 1 1 491.514 2.395 40 0 JEABMO NC(=O)[C@]1(c2ccccn2)CCC[N@@H+](CC(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)C1 ZINC000257242711 570120929 /nfs/dbraw/zinc/12/09/29/570120929.db2.gz IDUBAXHALYQKOK-HSZRJFAPSA-N 1 1 491.514 2.395 40 0 JEABMO O=C(CN1CC[N@@H+](Cc2ccccc2)C[C@@H](Cc2cnccn2)C1)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000257249918 570123242 /nfs/dbraw/zinc/12/32/42/570123242.db2.gz JKGGGCXZQNKICD-HXUWFJFHSA-N 1 1 471.565 2.261 40 0 JEABMO COc1cc(CN2C[C@H](O)[C@@H](N3CCN(c4ccccc4)CC3)C2)ccc1OCCC[NH+](C)C ZINC000257261646 570126887 /nfs/dbraw/zinc/12/68/87/570126887.db2.gz LIGHIDVGXDPDNJ-DQEYMECFSA-N 1 1 468.642 2.393 40 0 JEABMO Cc1nn(Cc2ccccc2)c(C)c1NC(=O)CN1CC[N@H+](Cc2ccccc2)C[C@H]1C(N)=O ZINC000257269213 570129452 /nfs/dbraw/zinc/12/94/52/570129452.db2.gz MPAVIPIKLIFAGL-QHCPKHFHSA-N 1 1 460.582 2.158 40 0 JEABMO Cc1nn(Cc2ccccc2)c(C)c1NC(=O)CN1CC[N@@H+](Cc2ccccc2)C[C@H]1C(N)=O ZINC000257269213 570129453 /nfs/dbraw/zinc/12/94/53/570129453.db2.gz MPAVIPIKLIFAGL-QHCPKHFHSA-N 1 1 460.582 2.158 40 0 JEABMO Cc1nn(C)cc1NC(=O)CN1CC[N@@H+](Cc2ccccc2)C[C@H](Cc2cc(N(C)C)ncn2)C1 ZINC000257279507 570132534 /nfs/dbraw/zinc/13/25/34/570132534.db2.gz OGYJALPPLZAXGT-QFIPXVFZSA-N 1 1 476.629 2.200 40 0 JEABMO Cc1nn(C)cc1NC(=O)CN1CC[N@@H+](Cc2ccccc2)C[C@@H](Cc2cc(N(C)C)ncn2)C1 ZINC000257279506 570132564 /nfs/dbraw/zinc/13/25/64/570132564.db2.gz OGYJALPPLZAXGT-JOCHJYFZSA-N 1 1 476.629 2.200 40 0 JEABMO CC(=O)N[C@]12CN(CC(=O)Nc3ccc(N4CCOCC4)cc3)[C@H](c3ccccc3)[C@H]1CC[N@H+](C)C2 ZINC000257284287 570133976 /nfs/dbraw/zinc/13/39/76/570133976.db2.gz PCBFIGRCBNFCMD-BIYCFNCWSA-N 1 1 491.636 2.345 40 0 JEABMO CCOc1ccc(N([C@H](C)C(=O)NCc2cccc(C[NH+]3CCOCC3)c2)S(C)(=O)=O)cc1 ZINC000260902855 570162898 /nfs/dbraw/zinc/16/28/98/570162898.db2.gz XFTYWTSUHQNCNO-LJQANCHMSA-N 1 1 475.611 2.388 40 0 JEABMO C[NH+]1CCN(C(=O)COc2ccc(S(=O)(=O)Nc3ccc(Br)cc3)cc2)CC1 ZINC000408560289 570200381 /nfs/dbraw/zinc/20/03/81/570200381.db2.gz OIRACOZAXYGVBN-UHFFFAOYSA-N 1 1 468.373 2.403 40 0 JEABMO COC(=O)c1[nH]c2cc(OC)c(OC)cc2c1NC(=O)C[N@@H+]1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2 ZINC000002134053 194157358 /nfs/dbraw/zinc/15/73/58/194157358.db2.gz BHXXJNAYAGRHOP-CABCVRRESA-N 1 1 480.521 2.191 40 0 JEABMO COC(=O)c1[nH]c2cc(OC)c(OC)cc2c1NC(=O)C[N@H+]1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2 ZINC000002134053 194157360 /nfs/dbraw/zinc/15/73/60/194157360.db2.gz BHXXJNAYAGRHOP-CABCVRRESA-N 1 1 480.521 2.191 40 0 JEABMO COc1cc2cc([C@@H](c3nnnn3Cc3ccc(F)cc3)N3CC[NH+](C)CC3)c(=O)[nH]c2cc1OC ZINC000020080686 523058682 /nfs/dbraw/zinc/05/86/82/523058682.db2.gz UKUBABZNLGMHAK-QHCPKHFHSA-N 1 1 493.543 2.056 40 0 JEABMO COc1ccc2cc(CN(CCC[NH+]3CCOCC3)C(=S)NC[C@H]3CCCO3)c(=O)[nH]c2c1 ZINC000019824717 525626782 /nfs/dbraw/zinc/62/67/82/525626782.db2.gz ZENHTMODYLMDIO-OAQYLSRUSA-N 1 1 474.627 2.115 40 0 JEABMO CN(C)S(=O)(=O)N1CCC(C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)CC1 ZINC000013678491 555569663 /nfs/dbraw/zinc/56/96/63/555569663.db2.gz YSFPJISUKAESEU-UHFFFAOYSA-N 1 1 470.639 2.439 40 0 JEABMO CS(=O)(=O)N1CCC(C2CC[NH+]([C@@H]3CC(=O)N(c4ccc(F)c(Cl)c4)C3=O)CC2)CC1 ZINC000020275157 555750071 /nfs/dbraw/zinc/75/00/71/555750071.db2.gz NBXRFXZWPYMFNK-LJQANCHMSA-N 1 1 471.982 2.495 40 0 JEABMO CC[NH+]1CCN(C(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2ccc(OC)c(Cl)c2)CC1 ZINC000022246804 555896982 /nfs/dbraw/zinc/89/69/82/555896982.db2.gz YWFJTICKKTXHPX-HXUWFJFHSA-N 1 1 466.003 2.402 40 0 JEABMO O=C(Nc1ccc(F)cc1F)N[C@H]1C[C@H]2C(=O)NC[C@@H](CCC(=O)N3CCc4ccccc43)[N@H+]2C1 ZINC000015707599 555952943 /nfs/dbraw/zinc/95/29/43/555952943.db2.gz AVGMTYDVGXMYGH-SVMVAKDDSA-N 1 1 483.519 2.397 40 0 biogenic,in-vitro JEABMO O=C(Nc1ccc(F)cc1F)N[C@H]1C[C@H]2C(=O)NC[C@@H](CCC(=O)N3CCc4ccccc43)[N@@H+]2C1 ZINC000015707599 555952945 /nfs/dbraw/zinc/95/29/45/555952945.db2.gz AVGMTYDVGXMYGH-SVMVAKDDSA-N 1 1 483.519 2.397 40 0 biogenic,in-vitro JEABMO C[N@H+]1[C@@H]2CCN(Cc3ccc(O)cc3)[C@@H]2C(=O)NC[C@@H]1CCC(=O)NCc1ccc(F)cc1 ZINC000022922828 555975686 /nfs/dbraw/zinc/97/56/86/555975686.db2.gz BYZFOLJGLHIKKC-FJIJXJHWSA-N 1 1 454.546 2.001 40 0 biogenic,in-vitro JEABMO COc1ccc(CNC(=O)CC[C@H]2CNC(=O)[C@@H]3[C@@H](CCN3Cc3cccs3)[N@H+]2C)cc1 ZINC000022922897 555975836 /nfs/dbraw/zinc/97/58/36/555975836.db2.gz RICWMYHJJNQSFR-ZEYPLWLESA-N 1 1 456.612 2.226 40 0 biogenic,in-vitro JEABMO Cc1ccc(S(=O)(=O)N(CC(=O)NCCC[NH+]2CCN(C)CC2)c2ccccc2F)cc1 ZINC000022934895 555987789 /nfs/dbraw/zinc/98/77/89/555987789.db2.gz CKRHNKODPMJHAF-UHFFFAOYSA-N 1 1 462.591 2.083 40 0 JEABMO C[C@@H](O)[C@@H]1[NH2+][C@]2(C(=O)Nc3c2cccc3Cl)[C@@H]2C(=O)N(Cc3ccccc3Cl)C(=O)[C@H]12 ZINC000016010193 556109496 /nfs/dbraw/zinc/10/94/96/556109496.db2.gz IELZRDWZZNFRMY-WLAGUIPSSA-N 1 1 460.317 2.295 40 0 JEABMO COCCn1nnnc1[C@@H](c1cc2cccc(C)c2[nH]c1=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000019236461 556337402 /nfs/dbraw/zinc/33/74/02/556337402.db2.gz NGNNMOWVJBPQEA-XMMPIXPASA-N 1 1 473.581 2.377 40 0 JEABMO O=c1[nH]c2cc3c(cc2cc1[C@@H](c1nnnn1C1CCCC1)N1CC[N@H+]2CCC[C@@H]2C1)OCCO3 ZINC000019292492 556337739 /nfs/dbraw/zinc/33/77/39/556337739.db2.gz SVXBMYNZMKAKJQ-JPYJTQIMSA-N 1 1 477.569 2.270 40 0 JEABMO COC(=O)c1cccc(C(=O)N2C[C@@H]3C[C@@H](O)C[N@@H+]3C3(CN(Cc4cccc(Cl)c4)C3)C2)c1 ZINC000514289480 560032710 /nfs/dbraw/zinc/03/27/10/560032710.db2.gz MATSKBWAGRUZRR-FCHUYYIVSA-N 1 1 469.969 2.272 40 0 biogenic,in-vitro JEABMO COC(=O)c1cccc(C(=O)N2C[C@@H]3C[C@@H](O)C[N@H+]3C3(CN(Cc4cccc(Cl)c4)C3)C2)c1 ZINC000514289480 560032711 /nfs/dbraw/zinc/03/27/11/560032711.db2.gz MATSKBWAGRUZRR-FCHUYYIVSA-N 1 1 469.969 2.272 40 0 biogenic,in-vitro JEABMO O=C1[C@@H]2C[C@@H](O)CN2C2(C[NH+](C3CCC(F)(F)CC3)C2)C(=O)N1Cc1cccc(Cl)c1 ZINC000225389659 560043796 /nfs/dbraw/zinc/04/37/96/560043796.db2.gz DFAOZPZKBBGEQK-MSOLQXFVSA-N 1 1 453.917 2.276 40 0 biogenic,in-vitro JEABMO CN1[C@@H]2CC[N@@H+](CC(C)(C)C)[C@@H]2C(=O)NC[C@@H]1CCC(=O)N1CCN(c2ccccc2)CC1 ZINC000035442442 560080093 /nfs/dbraw/zinc/08/00/93/560080093.db2.gz VGGDCNPVLHZVQX-ZDXQCDESSA-N 1 1 455.647 2.035 40 0 biogenic,in-vitro JEABMO CCCc1nn(C)c2c1nc(-c1cc(S(=O)(=O)N3C[C@@H](C)[NH2+][C@@H](C)C3)ccc1OCC)[nH]c2=O ZINC000034313125 569639974 /nfs/dbraw/zinc/63/99/74/569639974.db2.gz NFSWSZIPXJAYLR-GASCZTMLSA-N 1 1 488.614 2.046 40 0 in-vitro JEABMO COc1ccc(CN(CCC[NH+]2CCOCC2)C(=O)CN2C(=O)COc3ccccc32)cc1 ZINC000035314898 569680573 /nfs/dbraw/zinc/68/05/73/569680573.db2.gz OFQMCNMFTVRDMT-UHFFFAOYSA-N 1 1 453.539 2.172 40 0 JEABMO CCOC(=O)COc1c(I)cc(CNCC[NH+](C)C)cc1OCC ZINC000036611750 569777714 /nfs/dbraw/zinc/77/77/14/569777714.db2.gz NHDGFYZMTZGKEA-UHFFFAOYSA-N 1 1 450.317 2.283 40 0 JEABMO COc1ccc(Cl)cc1N(CC(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)S(C)(=O)=O ZINC000224549285 569948050 /nfs/dbraw/zinc/94/80/50/569948050.db2.gz MBHMMCDOOFJUDZ-UHFFFAOYSA-N 1 1 482.002 2.263 40 0 JEABMO COc1ccc(S(=O)(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)cc1C(=O)NC(C)C ZINC000224566020 569948715 /nfs/dbraw/zinc/94/87/15/569948715.db2.gz ZBNGLSHPUNHJQP-UHFFFAOYSA-N 1 1 461.584 2.144 40 0 JEABMO CS(=O)(=O)N(CC(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)Cc1ccccc1Cl ZINC000224588025 569949703 /nfs/dbraw/zinc/94/97/03/569949703.db2.gz MRRRGVAYPJXQFD-UHFFFAOYSA-N 1 1 466.003 2.250 40 0 JEABMO CS(=O)(=O)N(CC(=O)NCc1cccc(C[NH+]2CCOCC2)c1)c1cccc(Cl)c1 ZINC000224714007 569954500 /nfs/dbraw/zinc/95/45/00/569954500.db2.gz YYNCXRDKLHZCMD-UHFFFAOYSA-N 1 1 451.976 2.255 40 0 JEABMO CSc1cccc(N(CC(=O)NCc2cccc(C[NH+]3CCOCC3)c2)S(C)(=O)=O)c1 ZINC000224744527 569955736 /nfs/dbraw/zinc/95/57/36/569955736.db2.gz BUGRCDKRJQGWAQ-UHFFFAOYSA-N 1 1 463.625 2.323 40 0 JEABMO CC[C@@H](C(=O)NCc1cccc(C[NH+]2CCOCC2)c1)N(c1ccc(OC)cc1)S(C)(=O)=O ZINC000224746828 569955794 /nfs/dbraw/zinc/95/57/94/569955794.db2.gz BGMZKAYFLPVVFQ-QHCPKHFHSA-N 1 1 475.611 2.388 40 0 JEABMO CCOc1ccccc1N(CC(=O)NCCC[NH+]1CCOCC1)S(=O)(=O)c1ccccc1 ZINC000408616210 569975374 /nfs/dbraw/zinc/97/53/74/569975374.db2.gz XHGNAYZLWWKYCA-UHFFFAOYSA-N 1 1 461.584 2.119 40 0 JEABMO COc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NCCC[NH+]3CCOCC3)c(C)c2)cc1 ZINC000408674541 570009262 /nfs/dbraw/zinc/00/92/62/570009262.db2.gz AASJFUXQLCXTQW-UHFFFAOYSA-N 1 1 477.583 2.022 40 0 JEABMO CCC[N@@H+]1Cc2ccccc2OC/C=C\[C@H]2CN(CC[C@H]2CC(=O)N2CCN(C=O)CC2)C(=O)C1 ZINC000253401487 570096725 /nfs/dbraw/zinc/09/67/25/570096725.db2.gz NAJYLKYFECXSKS-PXPXVXOKSA-N 1 1 482.625 2.003 40 0 JEABMO CCC[N@H+]1Cc2ccccc2OC/C=C\[C@H]2CN(CC[C@H]2CC(=O)N2CCN(C=O)CC2)C(=O)C1 ZINC000253401487 570096727 /nfs/dbraw/zinc/09/67/27/570096727.db2.gz NAJYLKYFECXSKS-PXPXVXOKSA-N 1 1 482.625 2.003 40 0 JEABMO O=C(C[C@@H]1CCN2C[C@@H]1/C=C\COc1ccccc1C[N@H+](C1CCOCC1)CC2=O)N1CCOCC1 ZINC000253403174 570096851 /nfs/dbraw/zinc/09/68/51/570096851.db2.gz PLQMYPIWCOJJPG-MCTKTUQPSA-N 1 1 497.636 2.330 40 0 JEABMO C[NH+]1CCN(C(=O)C[C@@]2(COc3ccc(F)cc3)CN(Cc3ccc(F)cn3)CCO2)CC1 ZINC000257236131 570118996 /nfs/dbraw/zinc/11/89/96/570118996.db2.gz HAXQTHAVHNKBSF-DEOSSOPVSA-N 1 1 460.525 2.174 40 0 JEABMO O=C1CO[C@@]2(CN1Cc1ccc(F)cc1)CCC[N@@H+](Cc1ccnc(N3CCOCC3)n1)CC2 ZINC000257249040 570122941 /nfs/dbraw/zinc/12/29/41/570122941.db2.gz JGKSPICDRVLPRV-VWLOTQADSA-N 1 1 469.561 2.236 40 0 JEABMO O=C(CN1CC[N@@H+](Cc2ccccc2)C[C@H](Cc2cnccn2)C1)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000257249917 570123251 /nfs/dbraw/zinc/12/32/51/570123251.db2.gz JKGGGCXZQNKICD-FQEVSTJZSA-N 1 1 471.565 2.261 40 0 JEABMO COc1cc(CN2CCC[C@H]3OC[C@@H](NC(C)=O)[C@](C)(O)C[C@H]32)ccc1OCCC[NH+](C)C ZINC000257261207 570126749 /nfs/dbraw/zinc/12/67/49/570126749.db2.gz LGEIRDXVYFQDGU-OVSMBABESA-N 1 1 463.619 2.035 40 0 JEABMO O=C(Cn1cccn1)N[C@@H]1C[C@@H](Oc2cccc(F)c2)[C@H](O)[C@H]1[N@@H+]1CCc2ccccc2C1 ZINC000257266765 570128615 /nfs/dbraw/zinc/12/86/15/570128615.db2.gz MEKXRHDVBKPWMA-SDZTWWDVSA-N 1 1 450.514 2.146 40 0 JEABMO O=C(Cn1cccn1)N[C@@H]1C[C@@H](Oc2cccc(F)c2)[C@H](O)[C@H]1[N@H+]1CCc2ccccc2C1 ZINC000257266765 570128616 /nfs/dbraw/zinc/12/86/16/570128616.db2.gz MEKXRHDVBKPWMA-SDZTWWDVSA-N 1 1 450.514 2.146 40 0 JEABMO CC(=O)N1CC[NH+]([C@@H]2CCC[C@@H](NC(=O)C(C)(C)Oc3ccc(Cl)c(C)c3)[C@H]2O)CC1 ZINC000257299559 570138249 /nfs/dbraw/zinc/13/82/49/570138249.db2.gz RQNYJDNSNQNFKJ-NJDAHSKKSA-N 1 1 451.995 2.368 40 0 JEABMO CC(=O)Nc1ccc(NC(=O)CN2C[C@]3(NC(C)=O)C[N@@H+](C)CC[C@@H]3[C@H]2c2ccccc2)cc1 ZINC000257301282 570138929 /nfs/dbraw/zinc/13/89/29/570138929.db2.gz RXTHZAUYKNTVDX-LGPLSSKUSA-N 1 1 463.582 2.467 40 0 JEABMO Cc1[nH+]ccn1CC(=O)N1CC[C@H](Oc2ccc(Cl)cc2)[C@@H](CC(=O)N2CCOCC2)C1 ZINC000257311474 570141832 /nfs/dbraw/zinc/14/18/32/570141832.db2.gz UJPXJXHVDNKBPJ-RXVVDRJESA-N 1 1 460.962 2.390 40 0 JEABMO Cc1nn(C)cc1CN1CCO[C@](COc2ccc(Cl)cc2)(CC(=O)N2CC[NH+](C)CC2)C1 ZINC000257318872 570144141 /nfs/dbraw/zinc/14/41/41/570144141.db2.gz VPSZKBGGJAJXLD-XMMPIXPASA-N 1 1 476.021 2.196 40 0 JEABMO COCCC(=O)N1CC[C@H](Oc2cccc(Br)c2)[C@@H](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000257325398 570146069 /nfs/dbraw/zinc/14/60/69/570146069.db2.gz WSTYFWZHVIAZJZ-PXNSSMCTSA-N 1 1 482.419 2.246 40 0 JEABMO CCS(=O)(=O)N1CCC[C@@](COc2ccc(Cl)cc2)(CC(=O)N2CC[NH+](C)CC2)C1 ZINC000257328901 570147204 /nfs/dbraw/zinc/14/72/04/570147204.db2.gz XHNNPPGNAGITPQ-OAQYLSRUSA-N 1 1 458.024 2.315 40 0 JEABMO CC(=O)N[C@]12CN(C(C)=O)[C@H](c3ccccc3)[C@H]1C[N@H+](CC(=O)Nc1ccc3c(c1)OCCO3)CC2 ZINC000257329628 570147375 /nfs/dbraw/zinc/14/73/75/570147375.db2.gz XKTMIADFYDGHGY-GDKKVTFASA-N 1 1 492.576 2.197 40 0 JEABMO CC(=O)N[C@]12CN(C(C)=O)[C@H](c3ccccc3)[C@H]1C[N@@H+](CC(=O)Nc1ccc3c(c1)OCCO3)CC2 ZINC000257329628 570147376 /nfs/dbraw/zinc/14/73/76/570147376.db2.gz XKTMIADFYDGHGY-GDKKVTFASA-N 1 1 492.576 2.197 40 0 JEABMO O=C(NCc1cccc(C[NH+]2CCOCC2)c1)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 ZINC000059332376 195397674 /nfs/dbraw/zinc/39/76/74/195397674.db2.gz CSYXVWAULHTSNN-NRFANRHFSA-N 1 1 475.586 2.375 40 0 JEABMO Cc1cc(C)c2cc([C@@H](c3nnnn3C[C@H]3CCCO3)N3CC[N@H+]4CCC[C@@H]4C3)c(=O)[nH]c2c1 ZINC000022799186 524350328 /nfs/dbraw/zinc/35/03/28/524350328.db2.gz SALFWCHEXNOMBM-PWHSHALESA-N 1 1 463.586 2.180 40 0 JEABMO COc1cccc(OC[C@@H](O)C[NH+]2CCN(CN3C(=O)c4cccc5cccc(c54)C3=O)CC2)c1 ZINC000033528522 526234312 /nfs/dbraw/zinc/23/43/12/526234312.db2.gz LAJUQQDZGXLUPJ-FQEVSTJZSA-N 1 1 475.545 2.459 40 0 JEABMO O=C(NCCC[NH+]1CCOCC1)C1CCN(S(=O)(=O)Cc2c(Cl)cccc2Cl)CC1 ZINC000044900956 527669740 /nfs/dbraw/zinc/66/97/40/527669740.db2.gz PUMGUJCTSWUZSL-UHFFFAOYSA-N 1 1 478.442 2.374 40 0 JEABMO CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N4CC[NH+](C)CC4)o3)c(=O)n2[C@H]1c1ccccc1 ZINC000008767062 554667728 /nfs/dbraw/zinc/66/77/28/554667728.db2.gz AHOLTXKTQPBALG-UEAVEIDSSA-N 1 1 492.601 2.143 40 0 JEABMO COc1ccc(N(CC(=O)N2CC[NH+](Cc3ccccc3)CC2)S(C)(=O)=O)cc1Cl ZINC000019913710 555539411 /nfs/dbraw/zinc/53/94/11/555539411.db2.gz SQHKSQPNDJYMLK-UHFFFAOYSA-N 1 1 451.976 2.459 40 0 JEABMO CCCCNC(=S)N(CCC[NH+]1CCOCC1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000019940507 555558895 /nfs/dbraw/zinc/55/88/95/555558895.db2.gz BBCNGIGLLWYRFH-UHFFFAOYSA-N 1 1 460.600 2.456 40 0 JEABMO CC[C@@H]1CCCC[N@H+]1CCCNS(=O)(=O)c1ccc(OC)c(C(=O)N2CCOCC2)c1 ZINC000010544226 555726018 /nfs/dbraw/zinc/72/60/18/555726018.db2.gz KDJLRERSXAWFMK-GOSISDBHSA-N 1 1 453.605 2.101 40 0 JEABMO CCOc1ccc(N(CC(=O)N2CC[NH+](CC)CC2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 ZINC000014412765 555812011 /nfs/dbraw/zinc/81/20/11/555812011.db2.gz ZJMOUJFPZNLSEB-UHFFFAOYSA-N 1 1 491.610 2.462 40 0 JEABMO C[NH+]1CCN(C(=O)COc2ccc(N(Cc3ccccc3Cl)S(C)(=O)=O)cc2)CC1 ZINC000022233223 555893324 /nfs/dbraw/zinc/89/33/24/555893324.db2.gz YGIWELRMQCDURU-UHFFFAOYSA-N 1 1 451.976 2.459 40 0 JEABMO COc1cc(C(=O)NCCC[NH+]2CCOCC2)c(N(Cc2ccccc2)S(C)(=O)=O)cc1OC ZINC000022253751 555902138 /nfs/dbraw/zinc/90/21/38/555902138.db2.gz XFHYSZPWKMICEE-UHFFFAOYSA-N 1 1 491.610 2.122 40 0 JEABMO CC1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)NCCC[NH+]3CCN(C)CC3)c2)CC1 ZINC000022933776 555986530 /nfs/dbraw/zinc/98/65/30/555986530.db2.gz HFVZVZWCOLXIFA-UHFFFAOYSA-N 1 1 457.040 2.128 40 0 JEABMO Cc1ccc(N(CC(=O)NCCC[NH+]2CCN(C)CC2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000022935090 555987952 /nfs/dbraw/zinc/98/79/52/555987952.db2.gz JDNSEOMLDUHQCP-UHFFFAOYSA-N 1 1 458.628 2.252 40 0 JEABMO CCc1ccc2[nH]c(=O)c([C@H](c3nnnn3C[C@@H]3CCCO3)N3CC[N@H+]4CCC[C@@H]4C3)cc2c1 ZINC000019522982 556351133 /nfs/dbraw/zinc/35/11/33/556351133.db2.gz RPSAIRVSTJFWPO-ZRCGQRJVSA-N 1 1 463.586 2.125 40 0 JEABMO Cc1cc(C)c2cc([C@H](c3nnnn3C[C@@H]3CCCO3)N3CC[N@H+]4CCC[C@@H]4C3)c(=O)[nH]c2c1 ZINC000019569199 556355282 /nfs/dbraw/zinc/35/52/82/556355282.db2.gz SALFWCHEXNOMBM-SELNLUPBSA-N 1 1 463.586 2.180 40 0 JEABMO Cc1ccc(NC(=O)C[C@@H]2C(=O)NCCN2C(=O)CN2CC[NH+](Cc3ccccc3)CC2)cc1Cl ZINC000019820855 556390987 /nfs/dbraw/zinc/39/09/87/556390987.db2.gz IKNKAAGQONWRNM-HSZRJFAPSA-N 1 1 498.027 2.122 40 0 JEABMO COc1ccc2[nH]c(=O)c(CN(C[C@H]3CCCO3)C(=S)NCCC[NH+]3CCOCC3)cc2c1 ZINC000019824955 556396339 /nfs/dbraw/zinc/39/63/39/556396339.db2.gz BNMUKLJCDMPYOP-OAQYLSRUSA-N 1 1 474.627 2.115 40 0 JEABMO C[N@H+]1[C@@H]2CCN(Cc3cccc(Cl)c3)[C@@H]2C(=O)NC[C@@H]1CCC(=O)NCc1cccnc1 ZINC000096536591 560052433 /nfs/dbraw/zinc/05/24/33/560052433.db2.gz LXMTYRAJKYUMET-XJUOHMSHSA-N 1 1 455.990 2.205 40 0 biogenic,in-vitro JEABMO COc1ccc(N2C(=O)[C@H]3[C@H]4CCC[N@@H+]4[C@@]4(C(=O)Nc5ccc(F)cc54)[C@@H]3C2=O)cc1OC ZINC000033821788 569635756 /nfs/dbraw/zinc/63/57/56/569635756.db2.gz JSTPPTPAHRUDNT-VUYBDXIFSA-N 1 1 451.454 2.274 40 0 JEABMO COc1ccc(N2C(=O)[C@H]3[C@H]4CCC[N@H+]4[C@@]4(C(=O)Nc5ccc(F)cc54)[C@@H]3C2=O)cc1OC ZINC000033821788 569635757 /nfs/dbraw/zinc/63/57/57/569635757.db2.gz JSTPPTPAHRUDNT-VUYBDXIFSA-N 1 1 451.454 2.274 40 0 JEABMO Cc1ccc(C[N@H+]2CCC[C@]3(C(=O)N4CCOCC4)CN(Cc4cnn(C)c4)C[C@@H]3C2)s1 ZINC000096056192 569732473 /nfs/dbraw/zinc/73/24/73/569732473.db2.gz WHUCYHFQNSKSFO-URXFXBBRSA-N 1 1 457.644 2.363 40 0 JEABMO CCOc1ccc(N(CC(=O)N2CC[NH+](C)CC2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 ZINC000113938016 569862468 /nfs/dbraw/zinc/86/24/68/569862468.db2.gz LZFZUKZUFLPLIV-UHFFFAOYSA-N 1 1 477.583 2.072 40 0 JEABMO CN(C)S(=O)(=O)N1CCC[C@H](C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)C1 ZINC000216368153 569878547 /nfs/dbraw/zinc/87/85/47/569878547.db2.gz HGOVMBQZSHMFFS-QHCPKHFHSA-N 1 1 470.639 2.439 40 0 JEABMO COc1ccc(S(=O)(=O)N(C)CC(=O)NCc2ccccc2-n2cc[nH+]c2C)cc1OC ZINC000223345071 569908056 /nfs/dbraw/zinc/90/80/56/569908056.db2.gz SVVZMFLSXWZSRE-UHFFFAOYSA-N 1 1 458.540 2.135 40 0 JEABMO CS(=O)(=O)N(CC(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)c1ccc(Cl)cc1 ZINC000224548234 569948010 /nfs/dbraw/zinc/94/80/10/569948010.db2.gz PSDDMJZGUVDJHJ-UHFFFAOYSA-N 1 1 451.976 2.255 40 0 JEABMO CC[C@H](C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)N(c1ccc(OC)cc1)S(C)(=O)=O ZINC000224579854 569949371 /nfs/dbraw/zinc/94/93/71/569949371.db2.gz DXZYBOWTBNUPLV-HSZRJFAPSA-N 1 1 475.611 2.388 40 0 JEABMO COc1ccccc1N(CCCC(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)S(C)(=O)=O ZINC000224581518 569949391 /nfs/dbraw/zinc/94/93/91/569949391.db2.gz JTSHXOUPTXDHSB-UHFFFAOYSA-N 1 1 475.611 2.390 40 0 JEABMO CC[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000224587149 569949654 /nfs/dbraw/zinc/94/96/54/569949654.db2.gz AMLWUVSVHFBVKR-HSZRJFAPSA-N 1 1 475.611 2.388 40 0 JEABMO O=C(C1CC1)N1CCc2cc(S(=O)(=O)NCc3ccc(C[NH+]4CCOCC4)cc3)ccc21 ZINC000224588514 569949715 /nfs/dbraw/zinc/94/97/15/569949715.db2.gz YNLIVFBILLQZNI-UHFFFAOYSA-N 1 1 455.580 2.296 40 0 JEABMO CS(=O)(=O)N(CCCC(=O)N1CC[NH+](Cc2ccccc2)CC1)c1ccc2c(c1)OCCO2 ZINC000224612559 569950716 /nfs/dbraw/zinc/95/07/16/569950716.db2.gz ZPWKRGZUANOTOZ-UHFFFAOYSA-N 1 1 473.595 2.348 40 0 JEABMO CS(=O)(=O)N(CC(=O)NCc1cccc(C[NH+]2CCOCC2)c1)c1ccc(Cl)cc1 ZINC000224714073 569954464 /nfs/dbraw/zinc/95/44/64/569954464.db2.gz XVAGPXMDYNGXCQ-UHFFFAOYSA-N 1 1 451.976 2.255 40 0 JEABMO COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCc3cccc(C[NH+]4CCOCC4)c3)C2)cc1 ZINC000224731531 569955187 /nfs/dbraw/zinc/95/51/87/569955187.db2.gz IUMSLSSIEXHZJJ-JOCHJYFZSA-N 1 1 487.622 2.245 40 0 JEABMO O=C(NCc1cccc(C[NH+]2CCOCC2)c1)C1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000224737281 569955514 /nfs/dbraw/zinc/95/55/14/569955514.db2.gz SDRXUSXSVDENAW-UHFFFAOYSA-N 1 1 463.625 2.297 40 0 JEABMO COc1ccc(N(CCCC(=O)NCc2cccc(C[NH+]3CCOCC3)c2)S(C)(=O)=O)cc1 ZINC000224748482 569955880 /nfs/dbraw/zinc/95/58/80/569955880.db2.gz KWNQNNRETVLTNI-UHFFFAOYSA-N 1 1 475.611 2.390 40 0 JEABMO CN(c1ccc(Cl)c(C(=O)NCc2cccc(C[NH+]3CCOCC3)c2)c1)S(C)(=O)=O ZINC000224750329 569955958 /nfs/dbraw/zinc/95/59/58/569955958.db2.gz NRTRWHMBCIVQOD-UHFFFAOYSA-N 1 1 451.976 2.498 40 0 JEABMO CCOc1ccc(N(CC(=O)NCCC[NH+]2CCOCC2)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000408613903 569973639 /nfs/dbraw/zinc/97/36/39/569973639.db2.gz YMEZSKQEQAXYAU-UHFFFAOYSA-N 1 1 479.574 2.258 40 0 JEABMO COc1ccc(C)cc1S(=O)(=O)N(CC(=O)NCCC[NH+]1CCOCC1)c1ccc(F)cc1 ZINC000408619276 569977202 /nfs/dbraw/zinc/97/72/02/569977202.db2.gz HBBAIHCOQQIJQC-UHFFFAOYSA-N 1 1 479.574 2.177 40 0 JEABMO COc1ccc(S(=O)(=O)N(CC(=O)NCCC[NH+]2CCOCC2)Cc2ccccc2)cc1C ZINC000408621802 569978526 /nfs/dbraw/zinc/97/85/26/569978526.db2.gz OGXLUCAWFVZCBD-UHFFFAOYSA-N 1 1 475.611 2.033 40 0 JEABMO COc1ccc(C)cc1S(=O)(=O)N(CC(=O)NCCC[NH+]1CCOCC1)c1cccc(C)c1 ZINC000408624347 569979671 /nfs/dbraw/zinc/97/96/71/569979671.db2.gz SOOBAPXWBDBZEL-UHFFFAOYSA-N 1 1 475.611 2.346 40 0 JEABMO COc1ccc(C)cc1S(=O)(=O)N(CC(=O)NCCC[NH+]1CCOCC1)C1CCCCC1 ZINC000408635639 569985925 /nfs/dbraw/zinc/98/59/25/569985925.db2.gz GIGUPFJJESRMKU-UHFFFAOYSA-N 1 1 467.632 2.166 40 0 JEABMO CC(C)C[N@H+]1Cc2ccccc2OC/C=C\[C@H]2CN(CC[C@H]2CC(=O)N2CCN(C=O)CC2)C(=O)C1 ZINC000253399484 570096373 /nfs/dbraw/zinc/09/63/73/570096373.db2.gz JMJXXFJUWIOKPU-VJQMVFROSA-N 1 1 496.652 2.249 40 0 JEABMO CC(C)(C)CC[N@H+]1CCN2C(=O)c3ccccc3OCC[C@@H]3CC[C@H](O)[C@@H](CNC(=O)[C@@H]2C1)O3 ZINC000253399313 570096425 /nfs/dbraw/zinc/09/64/25/570096425.db2.gz IWPPPELGDJHEII-XHRGMSINSA-N 1 1 473.614 2.056 40 0 JEABMO COc1ccc([C@@H](CC(N)=O)c2oc(C[N@H+]3C[C@H]4C[C@H](Cn5c(=O)cccc54)C3)cc(=O)c2O)cc1 ZINC000257198488 570107248 /nfs/dbraw/zinc/10/72/48/570107248.db2.gz AKYXQALDYQSJGE-YRISNDGFSA-N 1 1 491.544 2.142 40 0 JEABMO COc1ccc([C@@H](CC(N)=O)c2oc(C[N@@H+]3C[C@H]4C[C@H](Cn5c(=O)cccc54)C3)cc(=O)c2O)cc1 ZINC000257198488 570107250 /nfs/dbraw/zinc/10/72/50/570107250.db2.gz AKYXQALDYQSJGE-YRISNDGFSA-N 1 1 491.544 2.142 40 0 JEABMO NC(=O)C[C@@H](c1ccccc1)c1oc(C[N@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)cc(=O)c1O ZINC000257199085 570107396 /nfs/dbraw/zinc/10/73/96/570107396.db2.gz RTSMHHAKSBKRLB-HQRMLTQVSA-N 1 1 461.518 2.134 40 0 JEABMO NC(=O)C[C@@H](c1ccccc1)c1oc(C[N@@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)cc(=O)c1O ZINC000257199085 570107397 /nfs/dbraw/zinc/10/73/97/570107397.db2.gz RTSMHHAKSBKRLB-HQRMLTQVSA-N 1 1 461.518 2.134 40 0 JEABMO C[N@@H+](Cc1ccccc1)[C@@H]1[C@@H](O)[C@H](Oc2cccc(C(F)(F)F)c2)C[C@H]1NC(=O)CCC(N)=O ZINC000257216267 570113033 /nfs/dbraw/zinc/11/30/33/570113033.db2.gz CTTDNLPDPWYSEK-VKGYTVAMSA-N 1 1 479.499 2.468 40 0 JEABMO C[NH+]1CCN(C(=O)C[C@H]2CN(C(=O)CCCn3cccn3)CC[C@@H]2Oc2ccccc2)CC1 ZINC000257217337 570113329 /nfs/dbraw/zinc/11/33/29/570113329.db2.gz CYNIGZOIOLJVIT-GMAHTHKFSA-N 1 1 453.587 2.124 40 0 JEABMO CCN1CC[NH+](CCC(=O)N2CCCC[C@H]2C2CCN(C(=O)c3cnc(C)cn3)CC2)CC1 ZINC000257223289 570115037 /nfs/dbraw/zinc/11/50/37/570115037.db2.gz DWRDDJCKWYFBOO-QHCPKHFHSA-N 1 1 456.635 2.046 40 0 JEABMO COc1ccc(Nc2ncccc2C(=O)N2CC[N@@H+](C)C[C@](O)(Cn3ccnc3C)C2)cc1 ZINC000257258532 570125789 /nfs/dbraw/zinc/12/57/89/570125789.db2.gz KUKQAHZGHUECFR-DEOSSOPVSA-N 1 1 450.543 2.158 40 0 JEABMO Cc1cc(Nc2cc(N3CC[NH+](C)CC3)nc(CC3CCN(C(=O)C4CCOCC4)CC3)n2)n[nH]1 ZINC000257274900 570131036 /nfs/dbraw/zinc/13/10/36/570131036.db2.gz NNCVFMMKHTXLEF-UHFFFAOYSA-N 1 1 482.633 2.211 40 0 JEABMO CC(=O)N[C@]12C[N@H+](CC(=O)Nc3ccc4c(c3)OCCO4)[C@H](c3ccccc3)[C@H]1CCN(C(C)=O)C2 ZINC000257291259 570135839 /nfs/dbraw/zinc/13/58/39/570135839.db2.gz QGGUVSHJSATBML-GDKKVTFASA-N 1 1 492.576 2.197 40 0 JEABMO CC(=O)N[C@]12C[N@@H+](CC(=O)Nc3ccc4c(c3)OCCO4)[C@H](c3ccccc3)[C@H]1CCN(C(C)=O)C2 ZINC000257291259 570135840 /nfs/dbraw/zinc/13/58/40/570135840.db2.gz QGGUVSHJSATBML-GDKKVTFASA-N 1 1 492.576 2.197 40 0 JEABMO CCc1noc(CCC(=O)N2CC[C@H](Oc3ccc(F)cc3)[C@@H](CC(=O)N3CC[NH+](C)CC3)C2)n1 ZINC000257291518 570135975 /nfs/dbraw/zinc/13/59/75/570135975.db2.gz QHIOIPYXUPRATL-RXVVDRJESA-N 1 1 487.576 2.164 40 0 JEABMO Cn1ccnc1C(=O)N[C@@H]1C[C@@H](Oc2cccc(F)c2)[C@H](O)[C@H]1[N@@H+]1CCc2ccccc2C1 ZINC000257295990 570137165 /nfs/dbraw/zinc/13/71/65/570137165.db2.gz RASPOBBXFCFUCL-LUKWVAJMSA-N 1 1 450.514 2.297 40 0 JEABMO Cn1ccnc1C(=O)N[C@@H]1C[C@@H](Oc2cccc(F)c2)[C@H](O)[C@H]1[N@H+]1CCc2ccccc2C1 ZINC000257295990 570137166 /nfs/dbraw/zinc/13/71/66/570137166.db2.gz RASPOBBXFCFUCL-LUKWVAJMSA-N 1 1 450.514 2.297 40 0 JEABMO CC(=O)N[C@]12CN(CC(=O)Nc3ccc4c(c3)OCCO4)[C@H](c3ccccc3)[C@H]1CC[N@H+](C)C2 ZINC000257326256 570146412 /nfs/dbraw/zinc/14/64/12/570146412.db2.gz WWMQWCGLLGQPJK-LPPUWEFUSA-N 1 1 464.566 2.280 40 0 JEABMO COc1ccc([C@H]2CN(C(C)=O)[C@@H]3CC[N@H+](CC(=O)Nc4ccc5[nH]c(=O)[nH]c5c4)C[C@@H]32)cc1 ZINC000257336537 570149406 /nfs/dbraw/zinc/14/94/06/570149406.db2.gz YOWJDFJAFQQORZ-TXTKFYIRSA-N 1 1 463.538 2.140 40 0 JEABMO COc1ccc([C@H]2CN(C(C)=O)[C@@H]3CC[N@@H+](CC(=O)Nc4ccc5[nH]c(=O)[nH]c5c4)C[C@@H]32)cc1 ZINC000257336537 570149407 /nfs/dbraw/zinc/14/94/07/570149407.db2.gz YOWJDFJAFQQORZ-TXTKFYIRSA-N 1 1 463.538 2.140 40 0 JEABMO COc1ccc(N2C[C@@H](C(=O)Nc3ccccc3C(=O)NCCC[NH+]3CCOCC3)CC2=O)cc1 ZINC000408572878 570205066 /nfs/dbraw/zinc/20/50/66/570205066.db2.gz AIGKBKXIXVTXPU-IBGZPJMESA-N 1 1 480.565 2.139 40 0 JEABMO CC(=O)c1ccc(NC(=O)N2C[C@H]3C[C@@H](C2)Cn2c3ccc(NC(=O)C[NH+](C)C)c2=O)cc1 ZINC000005413680 518369449 /nfs/dbraw/zinc/36/94/49/518369449.db2.gz SAJPVOOAESCUTF-FUHWJXTLSA-N 1 1 451.527 2.202 40 0 biogenic,in-vitro JEABMO CC[NH+]1CCN(C(=O)C2CCN(S(=O)(=O)Cc3ccc(Br)cc3)CC2)CC1 ZINC000022512942 521662247 /nfs/dbraw/zinc/66/22/47/521662247.db2.gz QCNDIKTYRAQJNW-UHFFFAOYSA-N 1 1 458.422 2.155 40 0 JEABMO Cc1ccc(S(=O)(=O)N(CC(=O)NCCC[NH+]2CCN(C)CC2)c2cccc(C)c2)cc1 ZINC000022829502 525502706 /nfs/dbraw/zinc/50/27/06/525502706.db2.gz KDBOCUQLAXOGCF-UHFFFAOYSA-N 1 1 458.628 2.252 40 0 JEABMO CCOC(=O)Cn1nnnc1C[N@H+](Cc1cc2ccc(OC)cc2[nH]c1=O)C1CCCCC1 ZINC000000927675 553864607 /nfs/dbraw/zinc/86/46/07/553864607.db2.gz IGBXWTLMGTUIOO-UHFFFAOYSA-N 1 1 454.531 2.421 40 0 JEABMO CCOC(=O)Cn1nnnc1C[N@@H+](Cc1cc2ccc(OC)cc2[nH]c1=O)C1CCCCC1 ZINC000000927675 553864610 /nfs/dbraw/zinc/86/46/10/553864610.db2.gz IGBXWTLMGTUIOO-UHFFFAOYSA-N 1 1 454.531 2.421 40 0 JEABMO Cc1cc(C)c(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)NCCC[NH+]2CCOCC2)c(C)c1 ZINC000020004902 555578941 /nfs/dbraw/zinc/57/89/41/555578941.db2.gz YJGXCGSQKGMYJK-QHCPKHFHSA-N 1 1 473.639 2.340 40 0 JEABMO C[C@H](CSc1nc2ccccc2s1)Cn1c(N2CC[NH+](C)CC2)nc2c1c(=O)[nH]c(=O)n2C ZINC000010249288 555660342 /nfs/dbraw/zinc/66/03/42/555660342.db2.gz IIFGWHVCVJCVJU-AWEZNQCLSA-N 1 1 485.639 2.213 40 0 JEABMO CS(=O)(=O)N(Cc1ccc(F)cc1)c1ccc(OCC(=O)NCCC[NH+]2CCOCC2)cc1 ZINC000022232849 555892504 /nfs/dbraw/zinc/89/25/04/555892504.db2.gz YAYPORXKYLUWHT-UHFFFAOYSA-N 1 1 479.574 2.009 40 0 JEABMO CCOc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)N2CC[NH+](CC)CC2)cc1C ZINC000022247452 555897595 /nfs/dbraw/zinc/89/75/95/555897595.db2.gz LDVQPSIESGSQDP-QFIPXVFZSA-N 1 1 459.612 2.447 40 0 JEABMO CCOc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)N2CC[NH+](C)CC2)cc1Cl ZINC000022248156 555898650 /nfs/dbraw/zinc/89/86/50/555898650.db2.gz JIJAKCJTHGIBHB-FQEVSTJZSA-N 1 1 466.003 2.402 40 0 JEABMO O=C(Nc1ccsc1)N[C@H]1C[C@H]2C(=O)NC[C@@H](CCC(=O)N3CCc4ccccc43)[N@H+]2C1 ZINC000015707592 555952745 /nfs/dbraw/zinc/95/27/45/555952745.db2.gz KFBVTWTYPLHAAX-NSHGMRRFSA-N 1 1 453.568 2.180 40 0 biogenic,in-vitro JEABMO O=C(Nc1ccsc1)N[C@H]1C[C@H]2C(=O)NC[C@@H](CCC(=O)N3CCc4ccccc43)[N@@H+]2C1 ZINC000015707592 555952749 /nfs/dbraw/zinc/95/27/49/555952749.db2.gz KFBVTWTYPLHAAX-NSHGMRRFSA-N 1 1 453.568 2.180 40 0 biogenic,in-vitro JEABMO COc1ccc(CNC(=O)CC[C@@H]2CNC(=O)[C@@H]3C[C@H](NC(=S)Nc4ccccc4)C[N@@H+]32)cc1 ZINC000015707757 555953208 /nfs/dbraw/zinc/95/32/08/555953208.db2.gz OINYNTATJBJPJV-VWPQPMDRSA-N 1 1 481.622 2.020 40 0 biogenic,in-vitro JEABMO COc1ccc(CNC(=O)CC[C@@H]2CNC(=O)[C@@H]3C[C@H](NC(=S)Nc4ccccc4)C[N@H+]32)cc1 ZINC000015707757 555953212 /nfs/dbraw/zinc/95/32/12/555953212.db2.gz OINYNTATJBJPJV-VWPQPMDRSA-N 1 1 481.622 2.020 40 0 biogenic,in-vitro JEABMO COc1ccc(N(CC(=O)NCCC[NH+]2CCN(C)CC2)S(=O)(=O)c2ccccc2)cc1Cl ZINC000022829474 555955410 /nfs/dbraw/zinc/95/54/10/555955410.db2.gz QKEAELGPNJYMFB-UHFFFAOYSA-N 1 1 495.045 2.298 40 0 JEABMO Cc1ccc(S(=O)(=O)N(CC(=O)NCCC[NH+]2CCN(C)CC2)c2ccc(F)cc2)cc1 ZINC000022829538 555955778 /nfs/dbraw/zinc/95/57/78/555955778.db2.gz UKDXTWOKWNWGKR-UHFFFAOYSA-N 1 1 462.591 2.083 40 0 JEABMO Cc1cccc(N(Cc2ccc(C(=O)NCCC[NH+]3CCN(C)CC3)cc2)S(C)(=O)=O)c1 ZINC000022829916 555956356 /nfs/dbraw/zinc/95/63/56/555956356.db2.gz MLKLPEGAQFLBOM-UHFFFAOYSA-N 1 1 458.628 2.329 40 0 JEABMO COc1ccc(CCn2nnnc2[C@@H](c2cccc(OC)c2OC)N2CC[NH+](C)CC2)cc1OC ZINC000022930010 555983182 /nfs/dbraw/zinc/98/31/82/555983182.db2.gz KAPSCFCEPUWSDC-HSZRJFAPSA-N 1 1 482.585 2.287 40 0 JEABMO CN(C)S(=O)(=O)c1ccc(OCC(=O)N2CC[NH+](Cc3ccccc3)CC2)c(Cl)c1 ZINC000028208016 556318339 /nfs/dbraw/zinc/31/83/39/556318339.db2.gz ORFNWHCXRDPHEP-UHFFFAOYSA-N 1 1 451.976 2.314 40 0 JEABMO Cc1cccc2cc(CN(CCC[NH+]3CCOCC3)C(=S)NC[C@@H]3CCCO3)c(=O)[nH]c12 ZINC000019822771 556392816 /nfs/dbraw/zinc/39/28/16/556392816.db2.gz AAWIDKDTDAEJBK-NRFANRHFSA-N 1 1 458.628 2.414 40 0 JEABMO C[N@H+]1[C@@H]2CCN(Cc3ccc(F)cc3)[C@@H]2C(=O)NC[C@@H]1CCC(=O)N1CCN(c2ccccc2)CC1 ZINC000035442437 560080016 /nfs/dbraw/zinc/08/00/16/560080016.db2.gz QCLRMEVGFSFLJA-WEWMWRJBSA-N 1 1 493.627 2.328 40 0 biogenic,in-vitro JEABMO Cc1ccc(CN2CC[C@@H]3[C@H]2C(=O)NC[C@H](CCC(=O)N2CCN(c4ccccc4)CC2)[N@H+]3C)cc1 ZINC000035442444 560080040 /nfs/dbraw/zinc/08/00/40/560080040.db2.gz PWRFBYIAXRVPJT-REUBFRLUSA-N 1 1 489.664 2.497 40 0 biogenic,in-vitro JEABMO Cc1ccc(C[N@H+]2CC[C@@H]3[C@H]2C(=O)NC[C@H](CCC(=O)N2CCN(c4ccccc4)CC2)N3C)cc1 ZINC000035442444 560080041 /nfs/dbraw/zinc/08/00/41/560080041.db2.gz PWRFBYIAXRVPJT-REUBFRLUSA-N 1 1 489.664 2.497 40 0 biogenic,in-vitro JEABMO Cc1ccc(C[N@@H+]2CC[C@@H]3[C@H]2C(=O)NC[C@H](CCC(=O)N2CCN(c4ccccc4)CC2)N3C)cc1 ZINC000035442444 560080042 /nfs/dbraw/zinc/08/00/42/560080042.db2.gz PWRFBYIAXRVPJT-REUBFRLUSA-N 1 1 489.664 2.497 40 0 biogenic,in-vitro JEABMO CC(C)Oc1ccc(N(CC(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)S(C)(=O)=O)cc1 ZINC000224569013 569948927 /nfs/dbraw/zinc/94/89/27/569948927.db2.gz YPOIYAHGUMYYPK-UHFFFAOYSA-N 1 1 475.611 2.388 40 0 JEABMO CC[C@H](C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)N(c1cccc(OC)c1)S(C)(=O)=O ZINC000224579736 569949323 /nfs/dbraw/zinc/94/93/23/569949323.db2.gz OPOMDAXYRDXSHO-HSZRJFAPSA-N 1 1 475.611 2.388 40 0 JEABMO CC[C@@H](C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)N(c1ccc(OC)cc1)S(C)(=O)=O ZINC000224579806 569949334 /nfs/dbraw/zinc/94/93/34/569949334.db2.gz DXZYBOWTBNUPLV-QHCPKHFHSA-N 1 1 475.611 2.388 40 0 JEABMO CN(c1ccc(Cl)c(C(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)c1)S(C)(=O)=O ZINC000224583632 569949541 /nfs/dbraw/zinc/94/95/41/569949541.db2.gz IPNUVUZHLOIDTC-UHFFFAOYSA-N 1 1 451.976 2.498 40 0 JEABMO COc1ccc(N(CC(=O)NCc2cccc(C[NH+]3CCOCC3)c2)S(C)(=O)=O)cc1Cl ZINC000224715456 569954546 /nfs/dbraw/zinc/95/45/46/569954546.db2.gz PUZZOSRTVCZIGL-UHFFFAOYSA-N 1 1 482.002 2.263 40 0 JEABMO CCOc1ccc(N([C@@H](C)C(=O)NCc2cccc(C[NH+]3CCOCC3)c2)S(C)(=O)=O)cc1 ZINC000224716163 569954591 /nfs/dbraw/zinc/95/45/91/569954591.db2.gz XFTYWTSUHQNCNO-IBGZPJMESA-N 1 1 475.611 2.388 40 0 JEABMO COc1ccc(C)cc1N([C@@H](C)C(=O)NCc1cccc(C[NH+]2CCOCC2)c1)S(C)(=O)=O ZINC000224745449 569955774 /nfs/dbraw/zinc/95/57/74/569955774.db2.gz OOLBCYBUAIWQNU-IBGZPJMESA-N 1 1 475.611 2.307 40 0 JEABMO CC[C@@H](C(=O)NCc1cccc(C[NH+]2CCOCC2)c1)N(c1cccc(OC)c1)S(C)(=O)=O ZINC000224746719 569955778 /nfs/dbraw/zinc/95/57/78/569955778.db2.gz MRIVENPDPOECIR-QHCPKHFHSA-N 1 1 475.611 2.388 40 0 JEABMO O=C(COc1ccc(S(=O)(=O)NCc2ccccc2)cc1Cl)NCCC[NH+]1CCOCC1 ZINC000408596909 569967113 /nfs/dbraw/zinc/96/71/13/569967113.db2.gz UXQFHZBXYWSGJO-UHFFFAOYSA-N 1 1 482.002 2.036 40 0 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ZINC000408625980 569980392 /nfs/dbraw/zinc/98/03/92/569980392.db2.gz YXRFDUWAUHVWCF-UHFFFAOYSA-N 1 1 459.612 2.067 40 0 JEABMO COc1ccc(C)cc1S(=O)(=O)N(CCc1ccccc1)CC(=O)NCCC[NH+]1CCOCC1 ZINC000408635544 569985959 /nfs/dbraw/zinc/98/59/59/569985959.db2.gz DIZPMLONYRLPFJ-UHFFFAOYSA-N 1 1 489.638 2.076 40 0 JEABMO CCOc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NCCC[NH+]3CCOCC3)c(C)c2)cc1 ZINC000408675245 570010090 /nfs/dbraw/zinc/01/00/90/570010090.db2.gz TXAKCVCIAXXDRL-UHFFFAOYSA-N 1 1 491.610 2.412 40 0 JEABMO O=C1NC[C@H]2O[C@@H](CC[C@@H]2O)CCOc2ccccc2C(=O)N2CC[N@@H+](CC3CCCCC3)C[C@@H]12 ZINC000253401398 570096778 /nfs/dbraw/zinc/09/67/78/570096778.db2.gz MUWAQHNYGBBZOR-ALJFMCDRSA-N 1 1 485.625 2.201 40 0 JEABMO CCC1=C(C(=O)OC)[C@@H](c2ccccc2)n2c(=O)/c(=C/c3ccc(N4CC[NH+](C)CC4)o3)sc2=N1 ZINC000409035227 570106488 /nfs/dbraw/zinc/10/64/88/570106488.db2.gz JHBGWOXPEAZFQE-VUHHOQONSA-N 1 1 492.601 2.143 40 0 JEABMO Cc1cccnc1CN1CCO[C@](COc2ccc(F)cc2)(CC(=O)N2CC[NH+](C)CC2)C1 ZINC000257227826 570116483 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40 0 JEABMO O=c1[nH]c2cc3c(cc2cc1CN(CCC[NH+]1CCOCC1)C(=S)NCc1ccco1)OCCO3 ZINC000000891251 553828640 /nfs/dbraw/zinc/82/86/40/553828640.db2.gz CPLYLSMJZCWMMO-UHFFFAOYSA-N 1 1 498.605 2.491 40 0 JEABMO Cc1ccc2[nH]c(=O)c(CN(Cc3ccco3)Cc3nnnn3CCC[NH+]3CCOCC3)cc2c1 ZINC000013510376 555482240 /nfs/dbraw/zinc/48/22/40/555482240.db2.gz COIWBPJZILIVPH-UHFFFAOYSA-N 1 1 477.569 2.341 40 0 JEABMO COc1ccc([C@H](CC(=O)NCCC[NH+]2CCOCC2)N(C)S(=O)(=O)c2ccccc2)cc1 ZINC000019936279 555554390 /nfs/dbraw/zinc/55/43/90/555554390.db2.gz WSEGVZFDEJVXNL-QHCPKHFHSA-N 1 1 475.611 2.286 40 0 JEABMO CCCc1nn(C)c2c1nc(-c1cc(C(=O)CN3CC[NH+](C)CC3)ccc1OCC)[nH]c2=O ZINC000022016854 555861976 /nfs/dbraw/zinc/86/19/76/555861976.db2.gz BEAXWKCHSPVXQB-UHFFFAOYSA-N 1 1 452.559 2.105 40 0 in-vitro JEABMO CC[NH+]1CCN(C(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2ccc(OC)c(Cl)c2)CC1 ZINC000022246808 555897071 /nfs/dbraw/zinc/89/70/71/555897071.db2.gz YWFJTICKKTXHPX-FQEVSTJZSA-N 1 1 466.003 2.402 40 0 JEABMO CCOc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)NCCC[NH+]2CCOCC2)cc1C ZINC000022247500 555897588 /nfs/dbraw/zinc/89/75/88/555897588.db2.gz ONZKYWQAJHQXQX-QHCPKHFHSA-N 1 1 489.638 2.122 40 0 JEABMO O=C(CC[C@@H]1CNC(=O)[C@@H]2C[C@H](NC(=O)Nc3cccc(Cl)c3)C[N@@H+]21)NCc1ccccc1 ZINC000015707814 555953334 /nfs/dbraw/zinc/95/33/34/555953334.db2.gz QIBNZQHJGBBEJW-HBMCJLEFSA-N 1 1 469.973 2.499 40 0 biogenic,in-vitro JEABMO O=C(CC[C@@H]1CNC(=O)[C@@H]2C[C@H](NC(=O)Nc3cccc(Cl)c3)C[N@H+]21)NCc1ccccc1 ZINC000015707814 555953338 /nfs/dbraw/zinc/95/33/38/555953338.db2.gz QIBNZQHJGBBEJW-HBMCJLEFSA-N 1 1 469.973 2.499 40 0 biogenic,in-vitro JEABMO Cn1c(CN2CC[C@@H]3[C@H]2C(=O)NC[C@H](CCC(=O)NCc2cccs2)[N@H+]3C)nc2ccccc21 ZINC000022921113 555975000 /nfs/dbraw/zinc/97/50/00/555975000.db2.gz OKDOQYQDGOKGQR-UQJUWTFNSA-N 1 1 480.638 2.105 40 0 biogenic,in-vitro JEABMO Cc1cc(C)c2[nH]c(=O)c([C@@H](c3nnnn3Cc3ccc4c(c3)OCO4)N3CC[NH+](C)CC3)cc2c1 ZINC000022928281 555978574 /nfs/dbraw/zinc/97/85/74/555978574.db2.gz 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CCc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C[C@@H]3CCCO3)N3CC[N@H+]4CCC[C@@H]4C3)cc2c1 ZINC000019522983 556351209 /nfs/dbraw/zinc/35/12/09/556351209.db2.gz RPSAIRVSTJFWPO-QTEQDKRBSA-N 1 1 463.586 2.125 40 0 JEABMO CCS(=O)(=O)N(CC(=O)NCc1ccc(-n2cc[nH+]c2C)cc1)c1ccc2c(c1)OCO2 ZINC000030855205 556379727 /nfs/dbraw/zinc/37/97/27/556379727.db2.gz RSAWTMZNCYXTJI-UHFFFAOYSA-N 1 1 456.524 2.382 40 0 JEABMO COc1ccc(CC(=O)N[C@H]2CO[C@@H](C[NH+]3CCN(c4cccc(C(F)(F)F)c4)CC3)[C@@H]2O)cc1 ZINC000514289670 560032055 /nfs/dbraw/zinc/03/20/55/560032055.db2.gz YBFOZRPIUPFCCY-WPFOTENUSA-N 1 1 493.526 2.323 40 0 biogenic,in-vitro JEABMO COc1ccc(CNC(=O)CC[C@H]2CNC(=O)[C@@H]3[C@@H](CCN3Cc3ccc(C)cc3)[N@H+]2C)cc1 ZINC000035442419 560080098 /nfs/dbraw/zinc/08/00/98/560080098.db2.gz TUXIOTNZTJFMIE-FBILRYNDSA-N 1 1 464.610 2.473 40 0 biogenic,in-vitro JEABMO COc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H]2CCC[N@@H+]2[C@@]32C(=O)Nc3ccc(F)cc32)cc1OC ZINC000100207793 569755301 /nfs/dbraw/zinc/75/53/01/569755301.db2.gz 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40 0 JEABMO COc1ccc(C)cc1N(CC(=O)NCCC[NH+]1CCOCC1)S(=O)(=O)c1ccccc1 ZINC000408613808 569973557 /nfs/dbraw/zinc/97/35/57/569973557.db2.gz YGLDMQJGCQNPGC-UHFFFAOYSA-N 1 1 461.584 2.037 40 0 JEABMO Cc1ccc(S(=O)(=O)N(CC(=O)NCCC[NH+]2CCOCC2)Cc2ccccc2F)cc1 ZINC000408617342 569976182 /nfs/dbraw/zinc/97/61/82/569976182.db2.gz ATTIEZZKCSFRKS-UHFFFAOYSA-N 1 1 463.575 2.164 40 0 JEABMO COc1ccc(C)cc1S(=O)(=O)N(CC(=O)NCCC[NH+]1CCOCC1)Cc1ccccc1 ZINC000408619511 569977390 /nfs/dbraw/zinc/97/73/90/569977390.db2.gz IEGKGBHQSCHGRT-UHFFFAOYSA-N 1 1 475.611 2.033 40 0 JEABMO Cc1ccc(S(=O)(=O)N(CC(=O)NCCC[NH+]2CCOCC2)Cc2ccc(F)cc2)cc1 ZINC000408622531 569978862 /nfs/dbraw/zinc/97/88/62/569978862.db2.gz PCSHAZIFDNCEAG-UHFFFAOYSA-N 1 1 463.575 2.164 40 0 JEABMO CCOc1ccc(S(=O)(=O)N(CC(=O)NCCC[NH+]2CCOCC2)c2ccc(C)cc2)cc1 ZINC000408624245 569979590 /nfs/dbraw/zinc/97/95/90/569979590.db2.gz GIAAZUSOQZQMMA-UHFFFAOYSA-N 1 1 475.611 2.428 40 0 JEABMO COc1ccc(S(=O)(=O)N(CC(=O)NCCC[NH+]2CCOCC2)c2ccc(C)cc2)cc1OC 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/nfs/dbraw/zinc/11/45/96/570114596.db2.gz DPQRAGGNEBURBX-BKMJKUGQSA-N 1 1 464.566 2.408 40 0 JEABMO CN([C@H]1CCC[N@H+](Cc2ccnc(N3CCOCC3)n2)CC1)S(=O)(=O)Cc1ccccc1 ZINC000257241755 570120607 /nfs/dbraw/zinc/12/06/07/570120607.db2.gz HZMGMQLGMSFDQQ-QFIPXVFZSA-N 1 1 459.616 2.130 40 0 JEABMO CN([C@H]1CCC[N@@H+](Cc2ccnc(N3CCOCC3)n2)CC1)S(=O)(=O)Cc1ccccc1 ZINC000257241755 570120609 /nfs/dbraw/zinc/12/06/09/570120609.db2.gz HZMGMQLGMSFDQQ-QFIPXVFZSA-N 1 1 459.616 2.130 40 0 JEABMO COc1cc(C(=O)N2CC[N@H+](Cc3ccccc3)C[C@H]2C(N)=O)ccc1OCc1ccccn1 ZINC000257252631 570123956 /nfs/dbraw/zinc/12/39/56/570123956.db2.gz JVMVBGDPFDFQDX-QFIPXVFZSA-N 1 1 460.534 2.481 40 0 JEABMO COc1cc(C(=O)N2CC[N@@H+](Cc3ccccc3)C[C@H]2C(N)=O)ccc1OCc1ccccn1 ZINC000257252631 570123957 /nfs/dbraw/zinc/12/39/57/570123957.db2.gz JVMVBGDPFDFQDX-QFIPXVFZSA-N 1 1 460.534 2.481 40 0 JEABMO C[N@@H+](Cc1ccc(OCCCN2CCCC2=O)cc1)C[C@]1(O)CCCN(c2cnccn2)C1 ZINC000257254716 570124671 /nfs/dbraw/zinc/12/46/71/570124671.db2.gz KEJBKBWINFQJCR-RUZDIDTESA-N 1 1 453.587 2.331 40 0 JEABMO C[NH+]1CCN(C(=O)C[C@H]2CN(C(=O)c3cnc(C4CC4)nc3)CC[C@@H]2Oc2ccccc2)CC1 ZINC000257272640 570130487 /nfs/dbraw/zinc/13/04/87/570130487.db2.gz NDGMITLUKUWVFR-REWPJTCUSA-N 1 1 463.582 2.428 40 0 JEABMO CC(=O)N1CC[NH+]([C@H]2CCN(C(=O)C(C)(C)Oc3ccc(Cl)c(C)c3)CC[C@@H]2O)CC1 ZINC000257289238 570135290 /nfs/dbraw/zinc/13/52/90/570135290.db2.gz PXSGTYGKISWZBH-SFTDATJTSA-N 1 1 451.995 2.322 40 0 JEABMO Cc1nn(C)cc1CN1CCO[C@@](COc2ccc(Cl)cc2)(CC(=O)N2CC[NH+](C)CC2)C1 ZINC000257318871 570144102 /nfs/dbraw/zinc/14/41/02/570144102.db2.gz VPSZKBGGJAJXLD-DEOSSOPVSA-N 1 1 476.021 2.196 40 0 JEABMO Cc1nn(Cc2ccccc2)c(C)c1NC(=O)C[N@@H+]1CCC[C@](C)(C(=O)N2CCOCC2)C1 ZINC000257323745 570145685 /nfs/dbraw/zinc/14/56/85/570145685.db2.gz WLQMMUSNWVXTKY-VWLOTQADSA-N 1 1 453.587 2.448 40 0 JEABMO Cc1nn(Cc2ccccc2)c(C)c1NC(=O)C[N@H+]1CCC[C@](C)(C(=O)N2CCOCC2)C1 ZINC000257323745 570145686 /nfs/dbraw/zinc/14/56/86/570145686.db2.gz WLQMMUSNWVXTKY-VWLOTQADSA-N 1 1 453.587 2.448 40 0 JEABMO COc1ccc(-n2nccc2-c2nc(C(=O)NCCC[NH+]3CCOCC3)c3cnccn32)cc1 ZINC000306142268 570178739 /nfs/dbraw/zinc/17/87/39/570178739.db2.gz WUVYOLCYNJIMFL-UHFFFAOYSA-N 1 1 461.526 2.043 40 0 JEABMO Cc1cc(C)cc(NS(=O)(=O)c2ccc(OCC(=O)NCCC[NH+]3CCOCC3)cc2)c1 ZINC000408587599 570208369 /nfs/dbraw/zinc/20/83/69/570208369.db2.gz BPYVLRPMBIRKGW-UHFFFAOYSA-N 1 1 461.584 2.322 40 0 JEABMO O=C(COc1ccc(S(=O)(=O)NC2CCCCC2)cc1Cl)NCCC[NH+]1CCOCC1 ZINC000408588755 570208654 /nfs/dbraw/zinc/20/86/54/570208654.db2.gz DWSYJCOOECCPIM-UHFFFAOYSA-N 1 1 474.023 2.168 40 0 JEABMO O=C(NCCC[NH+]1CCOCC1)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Cl)cc1 ZINC000408591658 570209287 /nfs/dbraw/zinc/20/92/87/570209287.db2.gz JVGLWNZHELJWBI-NRFANRHFSA-N 1 1 466.003 2.068 40 0 JEABMO CC(C)c1ccc(NC(=O)C[C@@H]2C(=O)NCCN2C(=O)CN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000020803103 195228338 /nfs/dbraw/zinc/22/83/38/195228338.db2.gz SYIDGFQHYAJIRE-RUZDIDTESA-N 1 1 491.636 2.283 40 0 JEABMO CN(CC(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000018217420 522483812 /nfs/dbraw/zinc/48/38/12/522483812.db2.gz SFCDACDFOWQBAC-UHFFFAOYSA-N 1 1 451.976 2.109 40 0 JEABMO COc1ccc2[nH]c(=O)c([C@@H](c3nnnn3Cc3ccc(F)cc3)N3CC[NH+](C)CC3)cc2c1 ZINC000019589832 525476983 /nfs/dbraw/zinc/47/69/83/525476983.db2.gz GRSSDJASAWKTKA-QFIPXVFZSA-N 1 1 463.517 2.047 40 0 JEABMO O=c1[nH]c2c(s1)c(CC[NH2+]CCS(=O)(=O)CCCOCCc1ccccc1)ccc2O ZINC000036268680 527442121 /nfs/dbraw/zinc/44/21/21/527442121.db2.gz DBCKRBGYGMVSTI-UHFFFAOYSA-N 1 1 464.609 2.492 40 0 world JEABMO O=c1[nH]c2cc3c(cc2cc1CN(Cc1cccnc1)C(=S)NCCC[NH+]1CCOCC1)OCO3 ZINC000019940458 555558493 /nfs/dbraw/zinc/55/84/93/555558493.db2.gz XSCDTGXJUBVMOR-UHFFFAOYSA-N 1 1 495.605 2.251 40 0 JEABMO CCOCCCNC(=S)N(CCC[NH+]1CCOCC1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000019941004 555559815 /nfs/dbraw/zinc/55/98/15/555559815.db2.gz URZWYYRCKJEDND-UHFFFAOYSA-N 1 1 476.643 2.362 40 0 JEABMO Cc1cc(C)c(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)NCCC[NH+]2CCOCC2)c(C)c1 ZINC000020004906 555578820 /nfs/dbraw/zinc/57/88/20/555578820.db2.gz YJGXCGSQKGMYJK-HSZRJFAPSA-N 1 1 473.639 2.340 40 0 JEABMO COc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)NCCC[NH+]2CCOCC2)cc1Cl ZINC000020006547 555581001 /nfs/dbraw/zinc/58/10/01/555581001.db2.gz MXYBYOGDQRBMKT-OAQYLSRUSA-N 1 1 496.029 2.077 40 0 JEABMO CCOc1ccc2[nH]c(=O)c([C@H](c3nnnn3Cc3ccc(OC)cc3)N3CC[NH+](C)CC3)cc2c1 ZINC000020080536 555629436 /nfs/dbraw/zinc/62/94/36/555629436.db2.gz XNTCILFHFRRWKE-XMMPIXPASA-N 1 1 489.580 2.307 40 0 JEABMO CS(=O)(=O)N(CCCC(=O)NCCC[NH+]1CCOCC1)c1cc(Cl)ccc1Cl ZINC000014401470 555806883 /nfs/dbraw/zinc/80/68/83/555806883.db2.gz VDBJZMVHJDTRBN-UHFFFAOYSA-N 1 1 452.404 2.378 40 0 JEABMO CC[NH+]1CCN([C@H](c2nnnn2Cc2ccc3c(c2)OCO3)c2cc(OC)ccc2OC)CC1 ZINC000022929720 555982457 /nfs/dbraw/zinc/98/24/57/555982457.db2.gz NUXGUOYAIIPMAF-QHCPKHFHSA-N 1 1 466.542 2.194 40 0 JEABMO COc1ccc(OC)c([C@H](c2nnnn2CCc2ccc(OC)c(OC)c2)N2CC[NH+](C)CC2)c1 ZINC000022930017 555983113 /nfs/dbraw/zinc/98/31/13/555983113.db2.gz IGZXSSJWCGNAEG-XMMPIXPASA-N 1 1 482.585 2.287 40 0 JEABMO CN1CC[NH+](CCCNC(=O)c2ccc(N(Cc3ccccc3F)S(C)(=O)=O)cc2)CC1 ZINC000022935063 555987707 /nfs/dbraw/zinc/98/77/07/555987707.db2.gz RRYDRDDJWYAIJW-UHFFFAOYSA-N 1 1 462.591 2.159 40 0 JEABMO Cc1cccc(N(CC(=O)NCCC[NH+]2CCN(C)CC2)S(=O)(=O)c2ccccc2)c1C ZINC000022934903 555987738 /nfs/dbraw/zinc/98/77/38/555987738.db2.gz HYIAARHPROTCOY-UHFFFAOYSA-N 1 1 458.628 2.252 40 0 JEABMO CCOc1ccc2[nH]c(=O)c([C@@H](c3nnnn3Cc3ccccc3)N3CC[NH+](C)CC3)cc2c1 ZINC000019519923 556350797 /nfs/dbraw/zinc/35/07/97/556350797.db2.gz OIVRLZKQVOKUKJ-QHCPKHFHSA-N 1 1 459.554 2.298 40 0 JEABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2C)cc1 ZINC000030756226 556373260 /nfs/dbraw/zinc/37/32/60/556373260.db2.gz QDYDMTQQSZXLRM-UHFFFAOYSA-N 1 1 454.552 2.440 40 0 JEABMO COc1ccc2[nH]c(=O)c(CN(CCC[NH+]3CCOCC3)C(=S)NC[C@@H]3CCCO3)cc2c1 ZINC000019824901 556396081 /nfs/dbraw/zinc/39/60/81/556396081.db2.gz ULPCIVCEKDFXHU-NRFANRHFSA-N 1 1 474.627 2.115 40 0 JEABMO COc1ccc2cc(CN(C[C@@H]3CCCO3)C(=S)NCCC[NH+]3CCOCC3)c(=O)[nH]c2c1 ZINC000019824750 556396124 /nfs/dbraw/zinc/39/61/24/556396124.db2.gz RNJVSRGPZCHWQM-NRFANRHFSA-N 1 1 474.627 2.115 40 0 JEABMO COc1ccc(C[NH+]2CC3(C2)C(=O)N(Cc2ccccc2)C(=O)[C@@H]2C[C@@H](O)CN23)c2ccccc12 ZINC000225385856 560043975 /nfs/dbraw/zinc/04/39/75/560043975.db2.gz NGTRQOKZXAUMOZ-QPPBQGQZSA-N 1 1 471.557 2.407 40 0 biogenic,in-vitro JEABMO Cn1c(CN2CC[C@@H]3[C@H]2C(=O)NC[C@H](CCC(=O)Nc2ccccc2)[N@H+]3C)nc2ccccc21 ZINC000035442482 560079860 /nfs/dbraw/zinc/07/98/60/560079860.db2.gz DREFWFJTZKYGPO-SWHJIRTISA-N 1 1 460.582 2.365 40 0 biogenic,in-vitro JEABMO CC(=O)N1CCC([N@@H+]2C[C@H]3C[C@H](Cn4c(=O)c(NS(=O)(=O)c5cccc(F)c5)ccc43)C2)CC1 ZINC000035415762 560081361 /nfs/dbraw/zinc/08/13/61/560081361.db2.gz KULYYZCFARUJPC-ZWKOTPCHSA-N 1 1 488.585 2.218 40 0 biogenic,in-vitro JEABMO COc1ccc(NC(=O)NC[C@H]2C[C@@H]3CC[N@H+]2C[C@@H]3CN2CCN(c3ncccn3)CC2)cc1 ZINC000015672677 560095523 /nfs/dbraw/zinc/09/55/23/560095523.db2.gz CAQVABWFNAFWRZ-JAXLGGSGSA-N 1 1 465.602 2.139 40 0 biogenic,in-vitro JEABMO COc1ccccc1CN(CCC[NH+]1CCOCC1)C(=O)CN1C(=O)COc2ccccc21 ZINC000035313829 569680364 /nfs/dbraw/zinc/68/03/64/569680364.db2.gz UPYRQBJKASDBJF-UHFFFAOYSA-N 1 1 453.539 2.172 40 0 JEABMO CS(=O)(=O)N1C[C@H](C(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)Oc2ccc(Cl)cc21 ZINC000038831881 569808583 /nfs/dbraw/zinc/80/85/83/569808583.db2.gz LAOFACCOGSBTGH-OAQYLSRUSA-N 1 1 479.986 2.016 40 0 JEABMO COc1ccc(S(=O)(=O)N(C)C)cc1CCC(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000224587426 569949622 /nfs/dbraw/zinc/94/96/22/569949622.db2.gz DCVFMXDBWYLBHO-UHFFFAOYSA-N 1 1 475.611 2.027 40 0 JEABMO CC(C)Oc1ccc(N(CC(=O)NCc2cccc(C[NH+]3CCOCC3)c2)S(C)(=O)=O)cc1 ZINC000224735541 569955449 /nfs/dbraw/zinc/95/54/49/569955449.db2.gz SEJIVFWWKGOPOA-UHFFFAOYSA-N 1 1 475.611 2.388 40 0 JEABMO O=C(NCc1cccc(C[NH+]2CCOCC2)c1)[C@H]1CCCN(S(=O)(=O)c2cccs2)C1 ZINC000224737406 569955538 /nfs/dbraw/zinc/95/55/38/569955538.db2.gz NXRLAZIUIHSEBU-FQEVSTJZSA-N 1 1 463.625 2.297 40 0 JEABMO O=C(C1CC1)N1CCc2cc(S(=O)(=O)NCc3cccc(C[NH+]4CCOCC4)c3)ccc21 ZINC000224755100 569956081 /nfs/dbraw/zinc/95/60/81/569956081.db2.gz DCZBTQXWNIKLHN-UHFFFAOYSA-N 1 1 455.580 2.296 40 0 JEABMO O=C(NCc1cccc(C[NH+]2CCOCC2)c1)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000224756202 569956241 /nfs/dbraw/zinc/95/62/41/569956241.db2.gz VNIBTJTYVGPFIC-UHFFFAOYSA-N 1 1 475.586 2.375 40 0 JEABMO CCOc1ccc(S(=O)(=O)N(CC(=O)NCCC[NH+]2CCOCC2)c2ccc(F)cc2)cc1 ZINC000408603699 569970009 /nfs/dbraw/zinc/97/00/09/569970009.db2.gz FOMVGCFXZFYMFW-UHFFFAOYSA-N 1 1 479.574 2.258 40 0 JEABMO O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)NCCC[NH+]1CCOCC1 ZINC000408618809 569977059 /nfs/dbraw/zinc/97/70/59/569977059.db2.gz GWMKYLQGMZAFBJ-UHFFFAOYSA-N 1 1 466.003 2.369 40 0 JEABMO COc1ccc(Cl)cc1S(=O)(=O)N[C@@H](C)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000408622163 569978645 /nfs/dbraw/zinc/97/86/45/569978645.db2.gz MSFCECMUZHZUJC-INIZCTEOSA-N 1 1 451.976 2.360 40 0 JEABMO COc1ccc(N(CC(=O)NCCC[NH+]2CCOCC2)S(=O)(=O)c2cc(C)ccc2OC)cc1 ZINC000408622622 569978857 /nfs/dbraw/zinc/97/88/57/569978857.db2.gz PUNBNPWXVKPZLR-UHFFFAOYSA-N 1 1 491.610 2.046 40 0 JEABMO COc1ccc(N(CC(=O)NCCC[NH+]2CCOCC2)S(=O)(=O)c2ccc(C)cc2)c(OC)c1 ZINC000408626370 569980615 /nfs/dbraw/zinc/98/06/15/569980615.db2.gz WULBHXVRVTXADU-UHFFFAOYSA-N 1 1 491.610 2.046 40 0 JEABMO C[C@@H](C(=O)NCCC[NH+]1CCOCC1)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O ZINC000408630876 569982588 /nfs/dbraw/zinc/98/25/88/569982588.db2.gz XLQBMIPBTSABOC-IBGZPJMESA-N 1 1 461.584 2.472 40 0 JEABMO COc1ccc(S(=O)(=O)N2CCOCC2)cc1CCC(=O)NCc1ccc(-n2cc[nH+]c2C)cc1 ZINC000225267604 569987050 /nfs/dbraw/zinc/98/70/50/569987050.db2.gz XXCARHFDFCDPJU-UHFFFAOYSA-N 1 1 498.605 2.459 40 0 JEABMO COc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NCCC[NH+]3CCOCC3)c(Cl)c2)cc1 ZINC000408637293 569987300 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ZINC000257248477 570122787 /nfs/dbraw/zinc/12/27/87/570122787.db2.gz JDVITPQDXRPSME-MUUNZHRXSA-N 1 1 480.653 2.286 40 0 JEABMO Cc1nn(Cc2ccccc2)c(C)c1NC(=O)CN1CC[N@H+](Cc2ccccc2)C[C@@H]1C(N)=O ZINC000257269212 570129456 /nfs/dbraw/zinc/12/94/56/570129456.db2.gz MPAVIPIKLIFAGL-HSZRJFAPSA-N 1 1 460.582 2.158 40 0 JEABMO Cc1nn(Cc2ccccc2)c(C)c1NC(=O)CN1CC[N@@H+](Cc2ccccc2)C[C@@H]1C(N)=O ZINC000257269212 570129457 /nfs/dbraw/zinc/12/94/57/570129457.db2.gz MPAVIPIKLIFAGL-HSZRJFAPSA-N 1 1 460.582 2.158 40 0 JEABMO CN1CCC[N@H+]([C@H]2CCN(Cc3cc(OCc4ccccc4)ccc3OCC(N)=O)CC[C@@H]2O)CC1 ZINC000257270810 570129875 /nfs/dbraw/zinc/12/98/75/570129875.db2.gz MVTDGTYGERSVPP-UIOOFZCWSA-N 1 1 496.652 2.093 40 0 JEABMO O=C(c1ccc(-c2cncnc2)nc1)N1CC[N@@H+](Cc2ccccc2)C[C@](O)(Cn2cccn2)C1 ZINC000257284840 570134090 /nfs/dbraw/zinc/13/40/90/570134090.db2.gz PENLSKUHRHOVAG-AREMUKBSSA-N 1 1 469.549 2.124 40 0 JEABMO CO[C@@H]1C[N@H+](CC(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)CC[C@@]12CCCO2 ZINC000257309384 570141139 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/nfs/dbraw/zinc/48/38/50/521483850.db2.gz KUIZFCYTWLYTDP-AJGMTHFWSA-N 1 1 463.465 2.434 40 0 JEABMO CCOC(=O)c1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@]2(C(=O)Nc4ccc(F)cc42)[N@@H+]2CCC[C@@H]32)cc1 ZINC000012410947 521483857 /nfs/dbraw/zinc/48/38/57/521483857.db2.gz KUIZFCYTWLYTDP-AJGMTHFWSA-N 1 1 463.465 2.434 40 0 JEABMO C[N@@H+](CCc1ccccc1)[C@H]1[C@@H](CNC(=O)Nc2ccc(OC(F)(F)F)cc2)O[C@@H](CO)[C@H]1O ZINC000020465805 522955772 /nfs/dbraw/zinc/95/57/72/522955772.db2.gz ISMQHCYMVBNLAM-IVAOSVALSA-N 1 1 483.487 2.370 40 0 biogenic,in-vitro JEABMO C[N@H+](CCc1ccccn1)[C@H]1[C@@H]2OC[C@@H](O2)[C@@H](NC(=O)Nc2cccc(C(F)(F)F)c2)[C@@H]1O ZINC000012489972 522965288 /nfs/dbraw/zinc/96/52/88/522965288.db2.gz IEBDHIOLQRRIDT-LTFPLMDUSA-N 1 1 466.460 2.250 40 0 biogenic,in-vitro JEABMO C[N@@H+](CCc1ccccn1)[C@H]1[C@@H]2OC[C@@H](O2)[C@@H](NC(=O)Nc2cccc(C(F)(F)F)c2)[C@@H]1O ZINC000012489972 522965294 /nfs/dbraw/zinc/96/52/94/522965294.db2.gz IEBDHIOLQRRIDT-LTFPLMDUSA-N 1 1 466.460 2.250 40 0 biogenic,in-vitro JEABMO COc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@]2(C(=O)Nc4ccc(F)cc42)[N@H+]2CCC[C@@H]32)cc1OC ZINC000012371341 524395698 /nfs/dbraw/zinc/39/56/98/524395698.db2.gz JSTPPTPAHRUDNT-UBPTVHNVSA-N 1 1 451.454 2.274 40 0 JEABMO COc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@]2(C(=O)Nc4ccc(F)cc42)[N@@H+]2CCC[C@@H]32)cc1OC ZINC000012371341 524395705 /nfs/dbraw/zinc/39/57/05/524395705.db2.gz JSTPPTPAHRUDNT-UBPTVHNVSA-N 1 1 451.454 2.274 40 0 JEABMO COc1ccc(OC)c(NC(=O)[C@H]2C[C@H](CC(N)=O)[NH2+][C@]23c2cc(C)cc(Cl)c2NC3=O)c1 ZINC000015972538 524864094 /nfs/dbraw/zinc/86/40/94/524864094.db2.gz LDDONVOZWGKZGG-NIRJSFQDSA-N 1 1 472.929 2.305 40 0 JEABMO COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NCc1ccc(-n2cc[nH+]c2C)cc1 ZINC000020459302 525040204 /nfs/dbraw/zinc/04/02/04/525040204.db2.gz CUNNTBRJLRLOCJ-UHFFFAOYSA-N 1 1 470.551 2.140 40 0 JEABMO O=C(NCCC[NH+]1CCOCC1)C1CCN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)CC1 ZINC000020485299 527669932 /nfs/dbraw/zinc/66/99/32/527669932.db2.gz BBHMYUWJXCXZSL-UHFFFAOYSA-N 1 1 478.442 2.374 40 0 JEABMO O=c1[nH]c2cc3c(cc2cc1[C@H](c1nnnn1C1CCCC1)N1CC[N@H+]2CCC[C@H]2C1)OCCO3 ZINC000001222937 553934814 /nfs/dbraw/zinc/93/48/14/553934814.db2.gz SVXBMYNZMKAKJQ-FDDCHVKYSA-N 1 1 477.569 2.270 40 0 JEABMO CCCOc1ccc(N2C(=O)C[C@H]([NH+]3CCC(C4CCN(S(C)(=O)=O)CC4)CC3)C2=O)cc1 ZINC000015022412 555864055 /nfs/dbraw/zinc/86/40/55/555864055.db2.gz GYGXFDZYPBRHMN-QFIPXVFZSA-N 1 1 477.627 2.491 40 0 JEABMO O=C(CC[C@@H]1CNC(=O)[C@@H]2C[C@H](NC(=O)Nc3ccsc3)C[N@@H+]21)NCc1ccc(F)cc1 ZINC000015707680 555952880 /nfs/dbraw/zinc/95/28/80/555952880.db2.gz RUWOKYYNWRDDOR-OTWHNJEPSA-N 1 1 459.547 2.047 40 0 biogenic,in-vitro JEABMO O=C(CC[C@@H]1CNC(=O)[C@@H]2C[C@H](NC(=O)Nc3ccsc3)C[N@H+]21)NCc1ccc(F)cc1 ZINC000015707680 555952882 /nfs/dbraw/zinc/95/28/82/555952882.db2.gz RUWOKYYNWRDDOR-OTWHNJEPSA-N 1 1 459.547 2.047 40 0 biogenic,in-vitro JEABMO O=C(CC[C@@H]1CNC(=O)[C@@H]2C[C@H](NC(=S)Nc3ccccc3)C[N@@H+]21)N1CCc2ccccc21 ZINC000015707616 555952961 /nfs/dbraw/zinc/95/29/61/555952961.db2.gz WARFOSICVUUDIR-VWPQPMDRSA-N 1 1 463.607 2.284 40 0 biogenic,in-vitro JEABMO O=C(CC[C@@H]1CNC(=O)[C@@H]2C[C@H](NC(=S)Nc3ccccc3)C[N@H+]21)N1CCc2ccccc21 ZINC000015707616 555952963 /nfs/dbraw/zinc/95/29/63/555952963.db2.gz WARFOSICVUUDIR-VWPQPMDRSA-N 1 1 463.607 2.284 40 0 biogenic,in-vitro JEABMO O=C(CC[C@@H]1CNC(=O)[C@@H]2C[C@H](NC(=S)Nc3ccccc3)C[N@@H+]21)NCc1cccs1 ZINC000015708026 555953189 /nfs/dbraw/zinc/95/31/89/555953189.db2.gz CQSORYMNWWSGKT-SCTDSRPQSA-N 1 1 457.625 2.072 40 0 biogenic,in-vitro JEABMO O=C(CC[C@@H]1CNC(=O)[C@@H]2C[C@H](NC(=S)Nc3ccccc3)C[N@H+]21)NCc1cccs1 ZINC000015708026 555953192 /nfs/dbraw/zinc/95/31/92/555953192.db2.gz CQSORYMNWWSGKT-SCTDSRPQSA-N 1 1 457.625 2.072 40 0 biogenic,in-vitro JEABMO Cc1ccc(S(=O)(=O)N(CC(=O)NCCC[NH+]2CCN(C)CC2)c2ccccc2C)cc1 ZINC000022829497 555955896 /nfs/dbraw/zinc/95/58/96/555955896.db2.gz HTVVXXUIFBQBJO-UHFFFAOYSA-N 1 1 458.628 2.252 40 0 JEABMO COc1ccc(S(=O)(=O)N(CC(=O)NCCC[NH+]2CCN(C)CC2)c2ccc(Cl)cc2)cc1 ZINC000022829639 555955909 /nfs/dbraw/zinc/95/59/09/555955909.db2.gz OJHRLYOMKSIUHR-UHFFFAOYSA-N 1 1 495.045 2.298 40 0 JEABMO COc1ccc([C@@H](c2nnnn2CCc2ccc(OC)c(OC)c2)N2CC[NH+](C)CC2)cc1 ZINC000022930006 555983151 /nfs/dbraw/zinc/98/31/51/555983151.db2.gz USTKXIMNILVXOR-QHCPKHFHSA-N 1 1 452.559 2.278 40 0 JEABMO Cc1ccc(N(CC(=O)NCCC[NH+]2CCN(C)CC2)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000022934703 555986924 /nfs/dbraw/zinc/98/69/24/555986924.db2.gz RWESVPFZRLPJRU-UHFFFAOYSA-N 1 1 462.591 2.083 40 0 JEABMO O=C(NCc1ccc(C[NH+]2CCOCC2)cc1)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl ZINC000018217459 556312067 /nfs/dbraw/zinc/31/20/67/556312067.db2.gz LOGUQPBUAGGYPM-UHFFFAOYSA-N 1 1 494.013 2.123 40 0 JEABMO COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N3CC[NH+](Cc4ccccc4)CC3)C2)cc1 ZINC000019727688 556362667 /nfs/dbraw/zinc/36/26/67/556362667.db2.gz XHTCQKWHSAQMQZ-NRFANRHFSA-N 1 1 457.596 2.440 40 0 JEABMO COc1ccc2[nH]c(=O)c(CN(C[C@@H]3CCCO3)C(=S)NCCC[NH+]3CCOCC3)cc2c1 ZINC000019824951 556396385 /nfs/dbraw/zinc/39/63/85/556396385.db2.gz BNMUKLJCDMPYOP-NRFANRHFSA-N 1 1 474.627 2.115 40 0 JEABMO CCc1ccc2[nH]c(=O)c([C@H](c3nnnn3C[C@H]3CCCO3)N3CC[N@H+]4CCC[C@H]4C3)cc2c1 ZINC000036383900 563128338 /nfs/dbraw/zinc/12/83/38/563128338.db2.gz RPSAIRVSTJFWPO-MIZPHKNDSA-N 1 1 463.586 2.125 40 0 JEABMO CCOC(=O)c1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H]2CCC[N@@H+]2[C@@]32C(=O)Nc3ccc(F)cc32)cc1 ZINC000100203917 569755228 /nfs/dbraw/zinc/75/52/28/569755228.db2.gz KUIZFCYTWLYTDP-MVOHMCPASA-N 1 1 463.465 2.434 40 0 JEABMO CCOC(=O)c1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H]2CCC[N@H+]2[C@@]32C(=O)Nc3ccc(F)cc32)cc1 ZINC000100203917 569755230 /nfs/dbraw/zinc/75/52/30/569755230.db2.gz KUIZFCYTWLYTDP-MVOHMCPASA-N 1 1 463.465 2.434 40 0 JEABMO Cc1[nH+]ccn1Cc1ccc(C(=O)NCCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 ZINC000224498735 569946359 /nfs/dbraw/zinc/94/63/59/569946359.db2.gz SIHICWYOENHXJX-UHFFFAOYSA-N 1 1 484.578 2.070 40 0 JEABMO CS(=O)(=O)N(CC(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)c1ccc(F)c(Cl)c1 ZINC000224555511 569948213 /nfs/dbraw/zinc/94/82/13/569948213.db2.gz CMDFXFNBIDBYAX-UHFFFAOYSA-N 1 1 469.966 2.394 40 0 JEABMO CSc1ccc(S(=O)(=O)N(C)CC(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC000224589014 569949701 /nfs/dbraw/zinc/94/97/01/569949701.db2.gz UWEJWIVBXPBXJP-UHFFFAOYSA-N 1 1 463.625 2.178 40 0 JEABMO COc1ccc(Cl)cc1N(CC(=O)NCc1cccc(C[NH+]2CCOCC2)c1)S(C)(=O)=O ZINC000224715059 569954531 /nfs/dbraw/zinc/95/45/31/569954531.db2.gz RXRXNMZNCIQSPO-UHFFFAOYSA-N 1 1 482.002 2.263 40 0 JEABMO COc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000224728330 569955038 /nfs/dbraw/zinc/95/50/38/569955038.db2.gz MQRAPIRGQPGFDM-UHFFFAOYSA-N 1 1 473.595 2.242 40 0 JEABMO CS(=O)(=O)N(CCCC(=O)NCc1cccc(C[NH+]2CCOCC2)c1)c1ccc2c(c1)OCO2 ZINC000224728909 569955108 /nfs/dbraw/zinc/95/51/08/569955108.db2.gz JVLIZGJDMJUJMM-UHFFFAOYSA-N 1 1 489.594 2.110 40 0 JEABMO O=C(NCc1cccc(C[NH+]2CCOCC2)c1)c1ccc(CS(=O)(=O)N2CCCC2)cc1 ZINC000224743482 569955750 /nfs/dbraw/zinc/95/57/50/569955750.db2.gz NCBHYRCERVCGMO-UHFFFAOYSA-N 1 1 457.596 2.374 40 0 JEABMO CN(c1ccc(C(=O)NCc2cccc(C[NH+]3CCOCC3)c2)c(Cl)c1)S(C)(=O)=O ZINC000224750397 569955917 /nfs/dbraw/zinc/95/59/17/569955917.db2.gz DXYDQBPDNHPETN-UHFFFAOYSA-N 1 1 451.976 2.498 40 0 JEABMO O=C(NCCC[NH+]1CCOCC1)c1ccccc1NC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1 ZINC000408614733 569974236 /nfs/dbraw/zinc/97/42/36/569974236.db2.gz GXXDWENXXXEFRM-LJQANCHMSA-N 1 1 450.539 2.130 40 0 JEABMO O=C(NCCC[NH+]1CCOCC1)c1ccccc1NC(=O)[C@H]1CC(=O)N(c2ccccc2)C1 ZINC000408614732 569974248 /nfs/dbraw/zinc/97/42/48/569974248.db2.gz GXXDWENXXXEFRM-IBGZPJMESA-N 1 1 450.539 2.130 40 0 JEABMO O=C(NCCC[NH+]1CCOCC1)c1ccccc1NC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000408614998 569974354 /nfs/dbraw/zinc/97/43/54/569974354.db2.gz KPNKVZJGMLRFRB-OAQYLSRUSA-N 1 1 464.566 2.126 40 0 JEABMO Cc1ccccc1N1C[C@H](C(=O)Nc2ccccc2C(=O)NCCC[NH+]2CCOCC2)CC1=O ZINC000408615058 569974438 /nfs/dbraw/zinc/97/44/38/569974438.db2.gz LJNXSYJVBZNVGC-HXUWFJFHSA-N 1 1 464.566 2.439 40 0 JEABMO Cc1ccc(N2C[C@H](C(=O)Nc3ccccc3C(=O)NCCC[NH+]3CCOCC3)CC2=O)cc1 ZINC000408616156 569975320 /nfs/dbraw/zinc/97/53/20/569975320.db2.gz WPTHEFFBEAYSIV-HXUWFJFHSA-N 1 1 464.566 2.439 40 0 JEABMO COc1ccc(S(=O)(=O)N(CC(=O)NCCC[NH+]2CCOCC2)Cc2ccccc2)cc1Cl ZINC000408617476 569976159 /nfs/dbraw/zinc/97/61/59/569976159.db2.gz BHAWQJLOFZDHFL-UHFFFAOYSA-N 1 1 496.029 2.378 40 0 JEABMO COc1ccc(C)cc1S(=O)(=O)N(CC(=O)NCCC[NH+]1CCOCC1)c1ccccc1 ZINC000408626424 569980647 /nfs/dbraw/zinc/98/06/47/569980647.db2.gz YUQYORWHRXMHTL-UHFFFAOYSA-N 1 1 461.584 2.037 40 0 JEABMO COc1ccc(C(C)C)cc1S(=O)(=O)N1CCC[C@@H](C(=O)NCCC[NH+]2CCOCC2)C1 ZINC000408701198 570021675 /nfs/dbraw/zinc/02/16/75/570021675.db2.gz TZAGNKYGVNKDAI-HXUWFJFHSA-N 1 1 467.632 2.058 40 0 JEABMO COc1ccc(S(=O)(=O)NCc2ccc(-n3cc[nH+]c3C)cc2)cc1N1C(=O)CCC1=O ZINC000225799302 570022312 /nfs/dbraw/zinc/02/23/12/570022312.db2.gz GSMVGXPFPGLFON-UHFFFAOYSA-N 1 1 454.508 2.321 40 0 JEABMO CC1CCC([N@H+]2CCN3C(=O)c4ccccc4OCC[C@@H]4CC[C@H](O)[C@@H](CNC(=O)[C@@H]3C2)O4)CC1 ZINC000253396228 570095932 /nfs/dbraw/zinc/09/59/32/570095932.db2.gz DJFMAXINKOFZCM-HROONXBISA-N 1 1 485.625 2.199 40 0 JEABMO NC(=O)C[C@H](c1ccccc1)c1oc(C[N@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)cc(=O)c1O ZINC000257199086 570107369 /nfs/dbraw/zinc/10/73/69/570107369.db2.gz RTSMHHAKSBKRLB-ILZDJORESA-N 1 1 461.518 2.134 40 0 JEABMO NC(=O)C[C@H](c1ccccc1)c1oc(C[N@@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)cc(=O)c1O ZINC000257199086 570107370 /nfs/dbraw/zinc/10/73/70/570107370.db2.gz RTSMHHAKSBKRLB-ILZDJORESA-N 1 1 461.518 2.134 40 0 JEABMO O=C1NCCN1CCOc1ccc(C[N@@H+]2CC[C@H](O)[C@@](O)(COc3cccc(Cl)c3)C2)cc1 ZINC000257213554 570112212 /nfs/dbraw/zinc/11/22/12/570112212.db2.gz CIBFCYHHJCVKTF-UPVQGACJSA-N 1 1 475.973 2.121 40 0 JEABMO COc1ccc(C[N@@H+](C)[C@@H]2[C@@H](O)[C@H](Oc3cccc(F)c3)C[C@H]2NC(=O)Cn2cccn2)cc1 ZINC000257214676 570112488 /nfs/dbraw/zinc/11/24/88/570112488.db2.gz CMZNOPRJQQOMGQ-SDZTWWDVSA-N 1 1 468.529 2.228 40 0 JEABMO Nc1ncc(-c2cccc(C(F)(F)F)c2)c([C@H]2CCCCN2C(=O)CN2CC[NH+](CCO)CC2)n1 ZINC000257220459 570114302 /nfs/dbraw/zinc/11/43/02/570114302.db2.gz DKXFDEPTGUVKST-HXUWFJFHSA-N 1 1 492.546 2.408 40 0 JEABMO Cn1cncc1C(=O)N[C@@H]1C[C@@H](Oc2cccc(F)c2)[C@H](O)[C@H]1[NH+]1CCN(c2ccccc2)CC1 ZINC000257226313 570116033 /nfs/dbraw/zinc/11/60/33/570116033.db2.gz FKCZESAEWFOOQX-VGCGRUFVSA-N 1 1 479.556 2.061 40 0 JEABMO Cc1cc(Nc2cc(N3CC[NH+](C)CC3)nc(CC3CCN(C(=O)[C@@H]4CCCCO4)CC3)n2)n[nH]1 ZINC000257243615 570121139 /nfs/dbraw/zinc/12/11/39/570121139.db2.gz IHULJMOYXCGDPR-FQEVSTJZSA-N 1 1 482.633 2.354 40 0 JEABMO Cc1ccnn1CCC(=O)N1CC[C@H](Oc2ccccc2)[C@@H](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000257245796 570121851 /nfs/dbraw/zinc/12/18/51/570121851.db2.gz IRCSEEGOKRGTFX-GMAHTHKFSA-N 1 1 453.587 2.042 40 0 JEABMO Cn1c(=O)oc2cc(NC(=O)CN3CC[C@@]4(CCC[N@H+]4CCc4ccccc4)[C@@H](O)C3)ccc21 ZINC000257276568 570131562 /nfs/dbraw/zinc/13/15/62/570131562.db2.gz NUICGOYOEHHCFG-OZXSUGGESA-N 1 1 464.566 2.214 40 0 JEABMO C[NH+]1CCN(C(=O)C[C@H]2CN(C(=O)Cc3cccnc3)CC[C@@H]2Oc2ccc(F)cc2)CC1 ZINC000257279559 570132582 /nfs/dbraw/zinc/13/25/82/570132582.db2.gz OHFFYMKZBACAKF-REWPJTCUSA-N 1 1 454.546 2.223 40 0 JEABMO C[NH+]1CCN(C(=O)C[C@H]2CN(C(=O)CCn3ccnc3)CC[C@@H]2Oc2cccc(Cl)c2)CC1 ZINC000257285334 570134211 /nfs/dbraw/zinc/13/42/11/570134211.db2.gz PGQXFEAYTQDCGE-UGKGYDQZSA-N 1 1 474.005 2.387 40 0 JEABMO Cc1nn(C)c(C)c1CC(=O)N1CC[C@H](Oc2ccccc2)[C@@H](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000257291723 570136111 /nfs/dbraw/zinc/13/61/11/570136111.db2.gz QIIVALDIIGRQFD-URXFXBBRSA-N 1 1 467.614 2.040 40 0 JEABMO CCCn1c(=O)oc2cc(NC(=O)CN3C[C@H](O)[C@@H]([N@@H+](C)Cc4ccc(OC)cc4)C3)ccc21 ZINC000257294062 570136692 /nfs/dbraw/zinc/13/66/92/570136692.db2.gz QSGPUNYUJXCCKM-VXKWHMMOSA-N 1 1 468.554 2.129 40 0 JEABMO O=C1CCCN1CCOc1ccc(C[N@@H+]2CC[C@@](O)(CN3CCN(c4ccccc4)CC3)C2)cc1 ZINC000257307372 570140546 /nfs/dbraw/zinc/14/05/46/570140546.db2.gz SYIOBKXTPGWMEC-MUUNZHRXSA-N 1 1 478.637 2.447 40 0 JEABMO O=C1CCCN1CCOc1ccc(CN2CC[C@@](O)(C[NH+]3CCN(c4ccccc4)CC3)C2)cc1 ZINC000257307372 570140547 /nfs/dbraw/zinc/14/05/47/570140547.db2.gz SYIOBKXTPGWMEC-MUUNZHRXSA-N 1 1 478.637 2.447 40 0 JEABMO CO[C@@H]1C[N@H+](CC(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)CC[C@]12CCCO2 ZINC000257309383 570141119 /nfs/dbraw/zinc/14/11/19/570141119.db2.gz UASFCBZWJWOUCS-IFMALSPDSA-N 1 1 451.589 2.070 40 0 JEABMO CO[C@@H]1C[N@@H+](CC(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)CC[C@]12CCCO2 ZINC000257309383 570141121 /nfs/dbraw/zinc/14/11/21/570141121.db2.gz UASFCBZWJWOUCS-IFMALSPDSA-N 1 1 451.589 2.070 40 0 JEABMO CNC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)C1(c2ccc(OC)cc2)CCOCC1 ZINC000257309192 570141148 /nfs/dbraw/zinc/14/11/48/570141148.db2.gz TZWYIRNXPMSYHU-HSZRJFAPSA-N 1 1 451.567 2.202 40 0 JEABMO CNC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)C1(c2ccc(OC)cc2)CCOCC1 ZINC000257309192 570141149 /nfs/dbraw/zinc/14/11/49/570141149.db2.gz TZWYIRNXPMSYHU-HSZRJFAPSA-N 1 1 451.567 2.202 40 0 JEABMO 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COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N3CC[NH+](Cc4ccccc4)CC3)C2)cc1OC ZINC000408557648 570198276 /nfs/dbraw/zinc/19/82/76/570198276.db2.gz HAIYJUADZQVQSL-NRFANRHFSA-N 1 1 487.622 2.449 40 0 JEABMO O=C(COc1ccc(N2C[C@@H](C(=O)NCCC[NH+]3CCOCC3)CC2=O)cc1)Nc1ccc(F)cc1 ZINC000408579479 570206489 /nfs/dbraw/zinc/20/64/89/570206489.db2.gz NVAFXEXALSULNQ-IBGZPJMESA-N 1 1 498.555 2.035 40 0 JEABMO Cc1cccc(NC(=O)COc2ccc(N3C[C@@H](C(=O)NCCC[NH+]4CCOCC4)CC3=O)cc2)c1 ZINC000408582208 570206868 /nfs/dbraw/zinc/20/68/68/570206868.db2.gz VWKWPVNPVSQPBR-NRFANRHFSA-N 1 1 494.592 2.204 40 0 JEABMO COc1ccc(S(=O)(=O)Nc2ccc3n(c2=O)C[C@H]2C[C@@H]3C[N@@H+](C3CCOCC3)C2)cc1 ZINC000003841427 194363594 /nfs/dbraw/zinc/36/35/94/194363594.db2.gz IHXDRAZUYXNRKO-DLBZAZTESA-N 1 1 459.568 2.256 40 0 biogenic,in-vitro JEABMO CC(C)c1ccc(NC(=O)C[C@H]2C(=O)NCCN2C(=O)CN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000020803100 195228415 /nfs/dbraw/zinc/22/84/15/195228415.db2.gz SYIDGFQHYAJIRE-VWLOTQADSA-N 1 1 491.636 2.283 40 0 JEABMO CN1CC[NH+](CCCNC(=O)C2CCN(S(=O)(=O)Cc3ccc(Cl)c(Cl)c3)CC2)CC1 ZINC000020460296 523897552 /nfs/dbraw/zinc/89/75/52/523897552.db2.gz UWMQAWPCZWGYIC-UHFFFAOYSA-N 1 1 491.485 2.289 40 0 JEABMO COc1ccc(N(CC(=O)NCc2ccc(-n3cc[nH+]c3C)cc2)S(C)(=O)=O)cc1OC ZINC000044901513 524361235 /nfs/dbraw/zinc/36/12/35/524361235.db2.gz ZDHWWGZNFWXOAY-UHFFFAOYSA-N 1 1 458.540 2.280 40 0 JEABMO COc1cccc(OC[C@H](O)C[NH+]2CCN(CN3C(=O)c4cccc5cccc(c54)C3=O)CC2)c1 ZINC000033528523 526235801 /nfs/dbraw/zinc/23/58/01/526235801.db2.gz LAJUQQDZGXLUPJ-HXUWFJFHSA-N 1 1 475.545 2.459 40 0 JEABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)CN(c2ccc3c(c2)OCCO3)S(C)(=O)=O)cc1 ZINC000020461945 527369710 /nfs/dbraw/zinc/36/97/10/527369710.db2.gz RYTSEUSFNSCOQB-UHFFFAOYSA-N 1 1 456.524 2.034 40 0 JEABMO COc1ccc([C@@H](CC(=O)NCCC[NH+]2CCOCC2)N(C)S(=O)(=O)c2ccccc2)cc1 ZINC000019936276 555554428 /nfs/dbraw/zinc/55/44/28/555554428.db2.gz WSEGVZFDEJVXNL-HSZRJFAPSA-N 1 1 475.611 2.286 40 0 JEABMO COc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)NCCC[NH+]2CCOCC2)cc1Cl ZINC000020006544 555581042 /nfs/dbraw/zinc/58/10/42/555581042.db2.gz MXYBYOGDQRBMKT-NRFANRHFSA-N 1 1 496.029 2.077 40 0 JEABMO COc1ccc(Cl)cc1S(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)NCCC[NH+]1CCOCC1 ZINC000020009975 555585962 /nfs/dbraw/zinc/58/59/62/555585962.db2.gz XLKGGRKUWGPNPA-FQEVSTJZSA-N 1 1 496.029 2.077 40 0 JEABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)[C@H](C)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O ZINC000020047606 555617861 /nfs/dbraw/zinc/61/78/61/555617861.db2.gz UZCVIXQWMGBZCR-INIZCTEOSA-N 1 1 470.551 2.423 40 0 JEABMO COc1ccc(N(CC(=O)NCc2ccc(-n3cc[nH+]c3C)cc2)S(C)(=O)=O)c(OC)c1 ZINC000020112349 555650018 /nfs/dbraw/zinc/65/00/18/555650018.db2.gz CXUHHOWVQRPLCX-UHFFFAOYSA-N 1 1 458.540 2.280 40 0 JEABMO CCOc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)N2CC[NH+](CC)CC2)cc1C ZINC000022247455 555897574 /nfs/dbraw/zinc/89/75/74/555897574.db2.gz LDVQPSIESGSQDP-JOCHJYFZSA-N 1 1 459.612 2.447 40 0 JEABMO CC[NH+]1CCN(C(=O)c2cc(OC)c(OC)cc2N(Cc2ccccc2)S(C)(=O)=O)CC1 ZINC000022253691 555902106 /nfs/dbraw/zinc/90/21/06/555902106.db2.gz GCIYVKVWOLWYMP-UHFFFAOYSA-N 1 1 461.584 2.448 40 0 JEABMO O=C(CC[C@@H]1CNC(=O)[C@@H]2C[C@H](NC(=O)Nc3ccc(F)cc3F)C[N@@H+]21)NCc1ccccc1 ZINC000015707811 555953343 /nfs/dbraw/zinc/95/33/43/555953343.db2.gz NYRXTMHLJZUHAJ-UEXGIBASSA-N 1 1 471.508 2.124 40 0 biogenic,in-vitro JEABMO O=C(CC[C@@H]1CNC(=O)[C@@H]2C[C@H](NC(=O)Nc3ccc(F)cc3F)C[N@H+]21)NCc1ccccc1 ZINC000015707811 555953346 /nfs/dbraw/zinc/95/33/46/555953346.db2.gz NYRXTMHLJZUHAJ-UEXGIBASSA-N 1 1 471.508 2.124 40 0 biogenic,in-vitro JEABMO CN1CC[NH+](CCCNC(=O)CN(c2ccccc2Cl)S(=O)(=O)c2ccccc2)CC1 ZINC000022829426 555955443 /nfs/dbraw/zinc/95/54/43/555955443.db2.gz SCWJUFZYJOEBEN-UHFFFAOYSA-N 1 1 465.019 2.289 40 0 JEABMO CN1CC[NH+](CCCNC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000022829680 555955730 /nfs/dbraw/zinc/95/57/30/555955730.db2.gz LROKTUWCSWBHFI-UHFFFAOYSA-N 1 1 465.019 2.289 40 0 JEABMO O=C(NCCC[NH+]1CCOCC1)C1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000017171326 556231646 /nfs/dbraw/zinc/23/16/46/556231646.db2.gz HTNUTRJUGAIOSL-UHFFFAOYSA-N 1 1 464.415 2.233 40 0 JEABMO CCOc1ccc(N(CC(=O)N2CC[NH+](C)CC2)S(=O)(=O)c2cc(C)ccc2OC)cc1 ZINC000025767195 556233245 /nfs/dbraw/zinc/23/32/45/556233245.db2.gz HLMMTTVPUGMERS-UHFFFAOYSA-N 1 1 461.584 2.372 40 0 JEABMO COc1ccc(Cn2nnnc2[C@H](c2cc3ccc(C)cc3[nH]c2=O)N2CC[NH+](C)CC2)cc1 ZINC000019222052 556335679 /nfs/dbraw/zinc/33/56/79/556335679.db2.gz SWUIHDGYJDQGDB-QHCPKHFHSA-N 1 1 459.554 2.217 40 0 JEABMO COCCn1nnnc1[C@H](c1cc2cccc(C)c2[nH]c1=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000019236460 556337424 /nfs/dbraw/zinc/33/74/24/556337424.db2.gz NGNNMOWVJBPQEA-DEOSSOPVSA-N 1 1 473.581 2.377 40 0 JEABMO Cc1ccc2cc(CN(C[C@@H]3CCCO3)C(=S)NCCC[NH+]3CCOCC3)c(=O)[nH]c2c1 ZINC000019822673 556392555 /nfs/dbraw/zinc/39/25/55/556392555.db2.gz LTWKZDFRADVXTH-NRFANRHFSA-N 1 1 458.628 2.414 40 0 JEABMO COc1ccc2[nH]c(=O)c(CN(CCC[NH+]3CCOCC3)C(=S)NC[C@H]3CCCO3)cc2c1 ZINC000019824905 556396359 /nfs/dbraw/zinc/39/63/59/556396359.db2.gz ULPCIVCEKDFXHU-OAQYLSRUSA-N 1 1 474.627 2.115 40 0 JEABMO COc1ccc(CN2CC[C@@H]3[C@H]2C(=O)NC[C@H](CCC(=O)NCc2cccs2)[N@H+]3C)cc1 ZINC000035442459 560080071 /nfs/dbraw/zinc/08/00/71/560080071.db2.gz RIYZLPQNXFGMPS-ZEYPLWLESA-N 1 1 456.612 2.226 40 0 biogenic,in-vitro JEABMO CCOC(=O)C[C@]12C(=O)NCC[N@@H+]1[C@@H](c1ccc(C)cc1)[C@H]1C(=O)N(c3ccc(C)cc3)C(=O)[C@@H]12 ZINC000101452046 569797758 /nfs/dbraw/zinc/79/77/58/569797758.db2.gz XMLXGBKNGMFWHC-GIRPNKPCSA-N 1 1 475.545 2.288 40 0 JEABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)CN(c1ccc2c(c1)OCCO2)S(C)(=O)=O ZINC000216242998 569877924 /nfs/dbraw/zinc/87/79/24/569877924.db2.gz FGRFGUZQCCDWEC-UHFFFAOYSA-N 1 1 456.524 2.034 40 0 JEABMO COc1ccc(S(=O)(=O)NCc2ccccc2-n2cc[nH+]c2C)cc1N1C(=O)CCC1=O ZINC000223922688 569927392 /nfs/dbraw/zinc/92/73/92/569927392.db2.gz ZDGLVCPYFOCNQL-UHFFFAOYSA-N 1 1 454.508 2.321 40 0 JEABMO CC(C)Oc1cccc(N(CC(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)S(C)(=O)=O)c1 ZINC000224577553 569949206 /nfs/dbraw/zinc/94/92/06/569949206.db2.gz VQNKBLMWBYVNDN-UHFFFAOYSA-N 1 1 475.611 2.388 40 0 JEABMO C[C@@H](C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)N(c1ccc(F)c(F)c1)S(C)(=O)=O ZINC000224578941 569949321 /nfs/dbraw/zinc/94/93/21/569949321.db2.gz UVIXZUKCFPAGGE-INIZCTEOSA-N 1 1 467.538 2.268 40 0 JEABMO CCCOc1ccc(N(CC(=O)NCc2cccc(C[NH+]3CCOCC3)c2)S(C)(=O)=O)cc1 ZINC000224735696 569955406 /nfs/dbraw/zinc/95/54/06/569955406.db2.gz QGECYABSTHOFHP-UHFFFAOYSA-N 1 1 475.611 2.390 40 0 JEABMO O=C(NCCC[NH+]1CCOCC1)[C@@H]1CCCN(S(=O)(=O)c2cc(Cl)ccc2Cl)C1 ZINC000408593858 569965196 /nfs/dbraw/zinc/96/51/96/569965196.db2.gz OQGVJGKUKRQPEH-OAHLLOKOSA-N 1 1 464.415 2.233 40 0 JEABMO COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1Cl ZINC000408594808 569965779 /nfs/dbraw/zinc/96/57/79/569965779.db2.gz QUMOXGMCQYWCDI-INIZCTEOSA-N 1 1 451.976 2.360 40 0 JEABMO O=C(NCCC[NH+]1CCOCC1)c1ccccc1NC(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000408614997 569974278 /nfs/dbraw/zinc/97/42/78/569974278.db2.gz KPNKVZJGMLRFRB-NRFANRHFSA-N 1 1 464.566 2.126 40 0 JEABMO CCOc1ccc(N(CC(=O)NCCC[NH+]2CCOCC2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000408615469 569974754 /nfs/dbraw/zinc/97/47/54/569974754.db2.gz AOYYKPROASAZPN-UHFFFAOYSA-N 1 1 475.611 2.428 40 0 JEABMO COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NCCC[NH+]2CCOCC2)cc1C ZINC000408624401 569979757 /nfs/dbraw/zinc/97/97/57/569979757.db2.gz UBHYENZAZSDDLO-UHFFFAOYSA-N 1 1 489.638 2.076 40 0 JEABMO COCCNC(=O)C[C@@H]1CCN2C[C@@H]1/C=C\COc1ccccc1C[N@H+](CC1CC1)CC2=O ZINC000253396815 570096074 /nfs/dbraw/zinc/09/60/74/570096074.db2.gz FBSUSCYJPOQCDM-CJNRHSBSSA-N 1 1 455.599 2.465 40 0 JEABMO COCCNC(=O)C[C@@H]1CCN2C[C@@H]1/C=C\COc1ccccc1C[N@@H+](CC1CC1)CC2=O ZINC000253396815 570096076 /nfs/dbraw/zinc/09/60/76/570096076.db2.gz FBSUSCYJPOQCDM-CJNRHSBSSA-N 1 1 455.599 2.465 40 0 JEABMO 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JEABMO O=C(COc1ccc(C[N@@H+]2CC[C@](O)(CN3CCN(c4ccccc4)CC3)C2)cc1)N1CCCC1 ZINC000257343347 570151380 /nfs/dbraw/zinc/15/13/80/570151380.db2.gz ZSNNQFASBAXTPX-NDEPHWFRSA-N 1 1 478.637 2.447 40 0 JEABMO O=C(COc1ccc(CN2CC[C@](O)(C[NH+]3CCN(c4ccccc4)CC3)C2)cc1)N1CCCC1 ZINC000257343347 570151381 /nfs/dbraw/zinc/15/13/81/570151381.db2.gz ZSNNQFASBAXTPX-NDEPHWFRSA-N 1 1 478.637 2.447 40 0 JEABMO COc1cccc(-n2nccc2-c2nc(C(=O)NCCC[NH+]3CCOCC3)c3cnccn32)c1 ZINC000306138536 570178509 /nfs/dbraw/zinc/17/85/09/570178509.db2.gz SACIVTZUUSGPAR-UHFFFAOYSA-N 1 1 461.526 2.043 40 0 JEABMO CC[NH+]1CCN(C(=O)COc2ccc(S(=O)(=O)NCc3ccccc3)cc2Cl)CC1 ZINC000409258778 570187269 /nfs/dbraw/zinc/18/72/69/570187269.db2.gz VXPRFOQGMYSMHU-UHFFFAOYSA-N 1 1 451.976 2.361 40 0 JEABMO CC[NH+]1CCN(C(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(OC)c(C)c2)CC1 ZINC000408550076 570194855 /nfs/dbraw/zinc/19/48/55/570194855.db2.gz BFZRJVQAQVANRM-UHFFFAOYSA-N 1 1 459.612 2.401 40 0 JEABMO COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N3CC[NH+](Cc4ccccc4)CC3)C2)cc1OC ZINC000408557649 570198377 /nfs/dbraw/zinc/19/83/77/570198377.db2.gz HAIYJUADZQVQSL-OAQYLSRUSA-N 1 1 487.622 2.449 40 0 JEABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@@H](C)N(c2ccc3c(c2)OCCO3)S(C)(=O)=O)cc1 ZINC000020459809 527371731 /nfs/dbraw/zinc/37/17/31/527371731.db2.gz RVIFQCIWHFQCPC-MRXNPFEDSA-N 1 1 470.551 2.423 40 0 JEABMO COc1ccc(N(CC(=O)NCc2ccccc2-n2cc[nH+]c2C)S(C)(=O)=O)cc1OC ZINC000020107565 555641588 /nfs/dbraw/zinc/64/15/88/555641588.db2.gz UWIAFQFJXRZFIN-UHFFFAOYSA-N 1 1 458.540 2.280 40 0 JEABMO CCOc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)NCCC[NH+]2CCOCC2)cc1C ZINC000022247503 555897606 /nfs/dbraw/zinc/89/76/06/555897606.db2.gz ONZKYWQAJHQXQX-HSZRJFAPSA-N 1 1 489.638 2.122 40 0 JEABMO CCOc1ccc(N(CC(=O)NCCC[NH+]2CCN(C)CC2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000022829527 555955980 /nfs/dbraw/zinc/95/59/80/555955980.db2.gz VLIPVWJTNLXUFX-UHFFFAOYSA-N 1 1 488.654 2.343 40 0 JEABMO Cn1c(CN2CC[C@@H]3[C@H]2C(=O)NC[C@H](CCC(=O)NCc2ccccc2)[N@H+]3C)nc2ccccc21 ZINC000022920946 555974635 /nfs/dbraw/zinc/97/46/35/555974635.db2.gz NGFPAQFPDNCHEG-CLLDFNAGSA-N 1 1 474.609 2.043 40 0 biogenic,in-vitro JEABMO Cc1cc(C)c2[nH]c(=O)c([C@H](c3nnnn3Cc3ccc4c(c3)OCO4)N3CC[NH+](C)CC3)cc2c1 ZINC000022928278 555978610 /nfs/dbraw/zinc/97/86/10/555978610.db2.gz XHAHVEKBVYNPHE-XMMPIXPASA-N 1 1 487.564 2.245 40 0 JEABMO CCOc1ccc(S(=O)(=O)N(CC(=O)NCCC[NH+]2CCN(C)CC2)c2ccc(F)cc2)cc1 ZINC000022934622 555987030 /nfs/dbraw/zinc/98/70/30/555987030.db2.gz TUFXKBQEAZFJAN-UHFFFAOYSA-N 1 1 492.617 2.173 40 0 JEABMO COc1ccc(S(=O)(=O)N(CC(=O)NCCC[NH+]2CCN(C)CC2)c2cccc(Cl)c2)cc1 ZINC000022934774 555987492 /nfs/dbraw/zinc/98/74/92/555987492.db2.gz CCIPCHMQABOHJO-UHFFFAOYSA-N 1 1 495.045 2.298 40 0 JEABMO Cc1ccccc1CN(c1ccc(C(=O)NCCC[NH+]2CCN(C)CC2)cc1)S(C)(=O)=O ZINC000022934968 555987910 /nfs/dbraw/zinc/98/79/10/555987910.db2.gz FVJNYTQLATVJBD-UHFFFAOYSA-N 1 1 458.628 2.329 40 0 JEABMO Cc1cc(Cl)cc2c1NC(=O)[C@]21[NH2+][C@@H]([C@@H](C)O)[C@H]2C(=O)N(Cc3ccc(F)cc3)C(=O)[C@H]21 ZINC000016009689 556108118 /nfs/dbraw/zinc/10/81/18/556108118.db2.gz IHFQYUPHFZQLSY-VHBHIYPTSA-N 1 1 457.889 2.089 40 0 JEABMO COCCn1nnnc1[C@H](c1cc2cc(C)ccc2[nH]c1=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000019220888 556335033 /nfs/dbraw/zinc/33/50/33/556335033.db2.gz ZQIWZLAYQFWBJM-DEOSSOPVSA-N 1 1 473.581 2.377 40 0 JEABMO COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCc3ccc(C[NH+]4CCOCC4)cc3)C2)cc1 ZINC000029882774 556359964 /nfs/dbraw/zinc/35/99/64/556359964.db2.gz TYHPDHKNZQXVDW-QFIPXVFZSA-N 1 1 487.622 2.245 40 0 JEABMO CCOc1ccc2[nH]c(=O)c(CN(CCC[NH+]3CCOCC3)C(=S)NCCCOC)cc2c1 ZINC000019824545 556395834 /nfs/dbraw/zinc/39/58/34/556395834.db2.gz GBYCHEGBWQIUBM-UHFFFAOYSA-N 1 1 476.643 2.362 40 0 JEABMO O=C(c1cccnc1)N1C[C@@H]2C[C@@H](O)C[N@H+]2C2(CN(Cc3ccc(OC(F)(F)F)cc3)C2)C1 ZINC000514289897 560031354 /nfs/dbraw/zinc/03/13/54/560031354.db2.gz PROYQKSZNXBLKB-RBUKOAKNSA-N 1 1 462.472 2.126 40 0 biogenic,in-vitro JEABMO O=C(c1cccnc1)N1C[C@@H]2C[C@@H](O)C[N@@H+]2C2(CN(Cc3ccc(OC(F)(F)F)cc3)C2)C1 ZINC000514289897 560031356 /nfs/dbraw/zinc/03/13/56/560031356.db2.gz PROYQKSZNXBLKB-RBUKOAKNSA-N 1 1 462.472 2.126 40 0 biogenic,in-vitro JEABMO O=C1[C@@H]2C[C@@H](O)CN2C2(C[NH+](C3CCC(F)(F)CC3)C2)C(=O)N1Cc1ccccc1Cl ZINC000225392868 560043766 /nfs/dbraw/zinc/04/37/66/560043766.db2.gz HHJUWYIANXGQLV-AEFFLSMTSA-N 1 1 453.917 2.276 40 0 biogenic,in-vitro JEABMO COc1ccc(CN2CC[C@@H]3[C@H]2C(=O)NC[C@H](CCC(=O)NCc2ccc(F)cc2)[N@H+]3C)cc1 ZINC000035442405 560079406 /nfs/dbraw/zinc/07/94/06/560079406.db2.gz SSUUUUJYIFASKJ-PWWKTKHKSA-N 1 1 468.573 2.304 40 0 biogenic,in-vitro JEABMO CC[NH+]1CCN(C(=O)c2nnc3sc(-c4ccc(I)cc4)nn32)CC1 ZINC000062702349 569614313 /nfs/dbraw/zinc/61/43/13/569614313.db2.gz DZFJTUHWLYAFKI-UHFFFAOYSA-N 1 1 468.324 2.235 40 0 JEABMO Cc1cc(Cl)cc2c1NC(=O)[C@]21[NH2+][C@@H]([C@H](C)O)[C@H]2C(=O)N(Cc3ccc(F)cc3)C(=O)[C@H]21 ZINC000105344611 569852884 /nfs/dbraw/zinc/85/28/84/569852884.db2.gz IHFQYUPHFZQLSY-FRGLDDCUSA-N 1 1 457.889 2.089 40 0 JEABMO O=C(NCCC[NH+]1CCOCC1)C1CCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000216480142 569879057 /nfs/dbraw/zinc/87/90/57/569879057.db2.gz KNYIJLAHYLQYEA-UHFFFAOYSA-N 1 1 478.442 2.374 40 0 JEABMO COc1ccc(S(=O)(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)cc1C(=O)N1CCCC1 ZINC000224560346 569948471 /nfs/dbraw/zinc/94/84/71/569948471.db2.gz PHBQHORYYWERFS-UHFFFAOYSA-N 1 1 473.595 2.242 40 0 JEABMO C[C@@H](C(=O)NCc1cccc(C[NH+]2CCOCC2)c1)N(c1ccc(F)c(F)c1)S(C)(=O)=O ZINC000224746031 569955802 /nfs/dbraw/zinc/95/58/02/569955802.db2.gz JKISOEDTXVPZTB-INIZCTEOSA-N 1 1 467.538 2.268 40 0 JEABMO COc1ccccc1N(CCCC(=O)NCc1cccc(C[NH+]2CCOCC2)c1)S(C)(=O)=O ZINC000224748349 569955845 /nfs/dbraw/zinc/95/58/45/569955845.db2.gz XREDFKSXKUKEMR-UHFFFAOYSA-N 1 1 475.611 2.390 40 0 JEABMO O=C(NCc1cccc(C[NH+]2CCOCC2)c1)C1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000224756132 569956226 /nfs/dbraw/zinc/95/62/26/569956226.db2.gz JYDTZJNIGYOOGM-UHFFFAOYSA-N 1 1 457.596 2.236 40 0 JEABMO O=C(CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1)NCCC[NH+]1CCOCC1 ZINC000408618360 569976763 /nfs/dbraw/zinc/97/67/63/569976763.db2.gz JZRBMAYBUSGWDW-UHFFFAOYSA-N 1 1 451.976 2.374 40 0 JEABMO COCCNC(=O)C[C@@H]1CCN2C[C@@H]1/C=C\COc1ccccc1C[N@H+](C1CCOCC1)CC2=O ZINC000253394174 570095770 /nfs/dbraw/zinc/09/57/70/570095770.db2.gz AQTNZCGZFFUZEC-CJNRHSBSSA-N 1 1 485.625 2.234 40 0 JEABMO CN1CCN(C(=O)C[C@@H]2CCN3C[C@@H]2/C=C\COc2ccccc2C[N@H+](CC2CC2)CC3=O)CC1 ZINC000253399611 570096420 /nfs/dbraw/zinc/09/64/20/570096420.db2.gz JRUUDBDCOGYEFD-GZFNGCIPSA-N 1 1 480.653 2.476 40 0 JEABMO CN1CCN(C(=O)C[C@@H]2CCN3C[C@@H]2/C=C\COc2ccccc2C[N@@H+](CC2CC2)CC3=O)CC1 ZINC000253399611 570096421 /nfs/dbraw/zinc/09/64/21/570096421.db2.gz JRUUDBDCOGYEFD-GZFNGCIPSA-N 1 1 480.653 2.476 40 0 JEABMO C[NH+]1CCN(C(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(Br)cc2)CC1 ZINC000409002771 570096763 /nfs/dbraw/zinc/09/67/63/570096763.db2.gz AEUQGXUSXVHXEI-UHFFFAOYSA-N 1 1 480.428 2.457 40 0 JEABMO Cc1cccnc1CN1CCO[C@@](COc2ccc(F)cc2)(CC(=O)N2CC[NH+](C)CC2)C1 ZINC000257227827 570116471 /nfs/dbraw/zinc/11/64/71/570116471.db2.gz FRCQDFFTVPWRLL-VWLOTQADSA-N 1 1 456.562 2.343 40 0 JEABMO CCN1CC[NH+](CCC(=O)N2CCC[C@H]2c2ccnc3c(C(=O)NC4CCCC4)cnn32)CC1 ZINC000257229232 570116825 /nfs/dbraw/zinc/11/68/25/570116825.db2.gz FXHHHTADTHCLRY-NRFANRHFSA-N 1 1 467.618 2.093 40 0 JEABMO COc1ccc(NC(=O)C[N@@H+]2CC[C@@]3(NC(C)=O)CN(C(C)=O)[C@H](c4ccccc4)[C@H]3C2)cc1 ZINC000257233223 570117937 /nfs/dbraw/zinc/11/79/37/570117937.db2.gz GOIFQEXTXDPVST-LGPLSSKUSA-N 1 1 464.566 2.434 40 0 JEABMO COc1ccc(NC(=O)C[N@H+]2CC[C@@]3(NC(C)=O)CN(C(C)=O)[C@H](c4ccccc4)[C@H]3C2)cc1 ZINC000257233223 570117938 /nfs/dbraw/zinc/11/79/38/570117938.db2.gz GOIFQEXTXDPVST-LGPLSSKUSA-N 1 1 464.566 2.434 40 0 JEABMO COCCOc1cc(C[N@@H+]2CC[C@](O)(CN3CCN(c4ccccc4)CC3)C2)ccc1OC ZINC000257245875 570121918 /nfs/dbraw/zinc/12/19/18/570121918.db2.gz IRLJBZZDKOIGII-SANMLTNESA-N 1 1 455.599 2.479 40 0 JEABMO COCCOc1cc(C[N@H+]2CC[C@](O)(CN3CCN(c4ccccc4)CC3)C2)ccc1OC ZINC000257245875 570121919 /nfs/dbraw/zinc/12/19/19/570121919.db2.gz IRLJBZZDKOIGII-SANMLTNESA-N 1 1 455.599 2.479 40 0 JEABMO CC(C)(C)c1ccc(C[N@H+]2CC[C@@H]3[C@H](C2)CCCCN3S(C)(=O)=O)c(OCC(N)=O)c1 ZINC000257250565 570123293 /nfs/dbraw/zinc/12/32/93/570123293.db2.gz JNALQRNZLQBEEG-FXAWDEMLSA-N 1 1 451.633 2.484 40 0 JEABMO C[N@@H+](Cc1ccc(OCCCN2CCCC2=O)cc1)C[C@@]1(O)CCCN(c2cnccn2)C1 ZINC000257254717 570124680 /nfs/dbraw/zinc/12/46/80/570124680.db2.gz KEJBKBWINFQJCR-VWLOTQADSA-N 1 1 453.587 2.331 40 0 JEABMO CCn1c2ccc(NC(=O)CN3CC[C@@H]4[C@@H](c5ccccc5)[N@@H+](C)C[C@]4(NC(C)=O)C3)cc2oc1=O ZINC000257275308 570131202 /nfs/dbraw/zinc/13/12/02/570131202.db2.gz NOVKGSWUKRVRAT-RMXYQJDTSA-N 1 1 491.592 2.436 40 0 JEABMO Cc1c(CCC(=O)N2CC[C@H](Oc3ccccc3)[C@@H](CC(=O)N3CC[NH+](C)CC3)C2)cnn1C ZINC000257278724 570132356 /nfs/dbraw/zinc/13/23/56/570132356.db2.gz ODJQGZIOJPKNPD-UPVQGACJSA-N 1 1 467.614 2.121 40 0 JEABMO Cn1cc(CCC(=O)N2CC[C@H](Oc3ccc(Cl)cc3)[C@@H](CC(=O)N3CC[NH+](C)CC3)C2)cn1 ZINC000257322469 570145199 /nfs/dbraw/zinc/14/51/99/570145199.db2.gz WGCHQKGXXANKTP-REWPJTCUSA-N 1 1 488.032 2.466 40 0 JEABMO C[NH+]1CCN(C(=O)C[C@@]2(COc3cccc(Cl)c3)CCCN(C(=O)Cn3cccn3)C2)CC1 ZINC000257330116 570147717 /nfs/dbraw/zinc/14/77/17/570147717.db2.gz XMXNNXLDINTNPS-DEOSSOPVSA-N 1 1 474.005 2.388 40 0 JEABMO Cc1ccc(NC(=O)COc2ccc(N3C[C@@H](C(=O)NCCC[NH+]4CCOCC4)CC3=O)cc2)cc1 ZINC000408572909 570205044 /nfs/dbraw/zinc/20/50/44/570205044.db2.gz AMISKEMSZPZNRL-NRFANRHFSA-N 1 1 494.592 2.204 40 0 JEABMO CN1CCC([N@@H+]2C[C@H]3C[C@H](Cn4c3ccc(NS(=O)(=O)Cc3ccccc3)c4=O)C2)CC1 ZINC000003841434 194363577 /nfs/dbraw/zinc/36/35/77/194363577.db2.gz PHMTVIIOHQMIFD-VQTJNVASSA-N 1 1 456.612 2.304 40 0 biogenic,in-vitro JEABMO Cn1c2nc(N3CC[NH+](C/C=C\c4ccccc4)CC3)n(Cc3ccccc3)c2c(=O)[nH]c1=O ZINC000009290770 555065157 /nfs/dbraw/zinc/06/51/57/555065157.db2.gz GFGFQTNRDMTITR-JYRVWZFOSA-N 1 1 456.550 2.307 40 0 JEABMO CCN(c1ccc(OCC(=O)NCCC[NH+]2CCOCC2)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000019938060 555555509 /nfs/dbraw/zinc/55/55/09/555555509.db2.gz MLCCIWDRONFNLQ-UHFFFAOYSA-N 1 1 475.611 2.428 40 0 JEABMO COCCn1nnnc1[C@@H](c1cc2cc(OC)ccc2[nH]c1=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000019973282 555575619 /nfs/dbraw/zinc/57/56/19/555575619.db2.gz YARVFMZXGMHFLQ-XMMPIXPASA-N 1 1 489.580 2.077 40 0 JEABMO COc1ccc(OC)c(N(CC(=O)NCc2ccc(-n3cc[nH+]c3C)cc2)S(C)(=O)=O)c1 ZINC000020043102 555614767 /nfs/dbraw/zinc/61/47/67/555614767.db2.gz AELLCJSXXLWTLN-UHFFFAOYSA-N 1 1 458.540 2.280 40 0 JEABMO COc1ccc(N(CC(=O)NCc2ccccc2-n2cc[nH+]c2C)S(C)(=O)=O)c(OC)c1 ZINC000020048150 555618281 /nfs/dbraw/zinc/61/82/81/555618281.db2.gz HRGWLFMZWKAMKT-UHFFFAOYSA-N 1 1 458.540 2.280 40 0 JEABMO CCC(C)(C)n1nnnc1[C@H](c1cc2cc(OC)c(OC)cc2[nH]c1=O)N1CC[NH+](C)CC1 ZINC000020080669 555629394 /nfs/dbraw/zinc/62/93/94/555629394.db2.gz MWULEYLMRMUOAK-FQEVSTJZSA-N 1 1 455.563 2.014 40 0 JEABMO O=c1[nH]c2cc3c(cc2cc1[C@H](c1nnnn1Cc1ccccc1)N1CC[N@H+]2CCC[C@@H]2C1)OCCO3 ZINC000020084357 555631569 /nfs/dbraw/zinc/63/15/69/555631569.db2.gz IVFHQUJWUPNRMM-CJFMBICVSA-N 1 1 499.575 2.204 40 0 JEABMO CC[C@H]1CCCC[N@H+]1CCCNS(=O)(=O)c1ccc(OC)c(C(=O)N2CCOCC2)c1 ZINC000010544227 555726098 /nfs/dbraw/zinc/72/60/98/555726098.db2.gz KDJLRERSXAWFMK-SFHVURJKSA-N 1 1 453.605 2.101 40 0 JEABMO COc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)N2CC[NH+](C)CC2)cc1Cl ZINC000022246768 555896749 /nfs/dbraw/zinc/89/67/49/555896749.db2.gz JPVHTHSMVNEZAM-IBGZPJMESA-N 1 1 451.976 2.012 40 0 JEABMO CN1CC[NH+](CCCNC(=O)CN(c2cc(Cl)c(Cl)cc2Cl)S(C)(=O)=O)CC1 ZINC000022829739 555955724 /nfs/dbraw/zinc/95/57/24/555955724.db2.gz QQXYUZGXXSNZNW-UHFFFAOYSA-N 1 1 471.838 2.167 40 0 JEABMO CCOc1ccc(S(=O)(=O)N(CC(=O)NCCC[NH+]2CCN(C)CC2)c2ccc(C)cc2)cc1 ZINC000022829628 555955813 /nfs/dbraw/zinc/95/58/13/555955813.db2.gz GINSGJYFVMZSPB-UHFFFAOYSA-N 1 1 488.654 2.343 40 0 JEABMO CN1CC[NH+](CCCNC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCCCC3)c2)CC1 ZINC000022933861 555986536 /nfs/dbraw/zinc/98/65/36/555986536.db2.gz JTBGYNKDPOZHPI-UHFFFAOYSA-N 1 1 457.040 2.272 40 0 JEABMO CCOc1ccccc1N(CC(=O)NCCC[NH+]1CCN(C)CC1)S(=O)(=O)c1ccc(C)cc1 ZINC000022934743 555987355 /nfs/dbraw/zinc/98/73/55/555987355.db2.gz UTYZTZVLZYQLNG-UHFFFAOYSA-N 1 1 488.654 2.343 40 0 JEABMO CC[NH+]1CCN(C(=O)CN(c2cccc(OC)c2)S(=O)(=O)c2cc(C)ccc2OC)CC1 ZINC000025767191 556233259 /nfs/dbraw/zinc/23/32/59/556233259.db2.gz NBPVWLIZFZVSDX-UHFFFAOYSA-N 1 1 461.584 2.372 40 0 JEABMO C[C@H](NS(=O)(=O)c1ccc(Br)cc1)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000017357780 556259449 /nfs/dbraw/zinc/25/94/49/556259449.db2.gz FCUZOUABIJKCJS-INIZCTEOSA-N 1 1 466.401 2.460 40 0 JEABMO Cc1cc(C)c2cc([C@@H](c3nnnn3C[C@@H]3CCCO3)N3CC[N@H+]4CCC[C@@H]4C3)c(=O)[nH]c2c1 ZINC000019569202 556355320 /nfs/dbraw/zinc/35/53/20/556355320.db2.gz SALFWCHEXNOMBM-MSYCTHLASA-N 1 1 463.586 2.180 40 0 JEABMO COc1ccc2cc(CN(CCC[NH+]3CCOCC3)C(=S)NC[C@@H]3CCCO3)c(=O)[nH]c2c1 ZINC000019824712 556396059 /nfs/dbraw/zinc/39/60/59/556396059.db2.gz ZENHTMODYLMDIO-NRFANRHFSA-N 1 1 474.627 2.115 40 0 JEABMO COc1ccc(C(=O)N[C@H]2CO[C@@H](C[NH+]3CCN(c4cccc(C(F)(F)F)c4)CC3)[C@@H]2O)cc1 ZINC000514288964 560033762 /nfs/dbraw/zinc/03/37/62/560033762.db2.gz LRKHUPAJOKGOIA-FDFHNCONSA-N 1 1 479.499 2.394 40 0 biogenic,in-vitro JEABMO COc1ccc(C[NH+]2CC3(C2)C(=O)N(Cc2ccc(C)o2)C(=O)[C@@H]2C[C@@H](O)CN23)c2ccccc12 ZINC000225396813 560043675 /nfs/dbraw/zinc/04/36/75/560043675.db2.gz BVVWVRYDWSTQOL-XXBNENTESA-N 1 1 475.545 2.308 40 0 biogenic,in-vitro JEABMO CS(=O)(=O)N(CCCC(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)c1ccc2c(c1)OCO2 ZINC000224563112 569948596 /nfs/dbraw/zinc/94/85/96/569948596.db2.gz OBPJCFYCBLIJOU-UHFFFAOYSA-N 1 1 489.594 2.110 40 0 JEABMO CSc1cccc(N(CC(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)S(C)(=O)=O)c1 ZINC000224577396 569949222 /nfs/dbraw/zinc/94/92/22/569949222.db2.gz WYYPNLOAVBURHY-UHFFFAOYSA-N 1 1 463.625 2.323 40 0 JEABMO C[C@H](C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)N(c1ccc(F)c(F)c1)S(C)(=O)=O ZINC000224578985 569949325 /nfs/dbraw/zinc/94/93/25/569949325.db2.gz UVIXZUKCFPAGGE-MRXNPFEDSA-N 1 1 467.538 2.268 40 0 JEABMO O=C(NCc1ccc(C[NH+]2CCOCC2)cc1)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1 ZINC000224589278 569949751 /nfs/dbraw/zinc/94/97/51/569949751.db2.gz NGBRASRYARJJLI-JOCHJYFZSA-N 1 1 457.596 2.236 40 0 JEABMO CS(=O)(=O)N(CC(=O)NCc1cccc(C[NH+]2CCOCC2)c1)c1cccc(Br)c1 ZINC000224714137 569954454 /nfs/dbraw/zinc/95/44/54/569954454.db2.gz VWULTHHQZJLRER-UHFFFAOYSA-N 1 1 496.427 2.364 40 0 JEABMO CS(=O)(=O)N(CC(=O)NCc1cccc(C[NH+]2CCOCC2)c1)c1ccc(F)c(Cl)c1 ZINC000224721154 569954694 /nfs/dbraw/zinc/95/46/94/569954694.db2.gz ZVGSMHBJGRHGSS-UHFFFAOYSA-N 1 1 469.966 2.394 40 0 JEABMO Cc1ccc(C)c(N(CC(=O)NCc2cccc(C[NH+]3CCOCC3)c2)S(=O)(=O)N(C)C)c1 ZINC000224730614 569955142 /nfs/dbraw/zinc/95/51/42/569955142.db2.gz GLPBVVGDDLNHRC-UHFFFAOYSA-N 1 1 474.627 2.065 40 0 JEABMO COc1cccc(N(CCCC(=O)NCc2cccc(C[NH+]3CCOCC3)c2)S(C)(=O)=O)c1 ZINC000224748424 569955876 /nfs/dbraw/zinc/95/58/76/569955876.db2.gz AGJMQEHTKPRCBO-UHFFFAOYSA-N 1 1 475.611 2.390 40 0 JEABMO CC[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000224753840 569956099 /nfs/dbraw/zinc/95/60/99/569956099.db2.gz UDGRFCFBJXPRQP-HSZRJFAPSA-N 1 1 475.611 2.388 40 0 JEABMO O=C(COc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1)NCCC[NH+]1CCOCC1 ZINC000408594217 569965413 /nfs/dbraw/zinc/96/54/13/569965413.db2.gz PBYFXHZPIRFMAT-UHFFFAOYSA-N 1 1 473.595 2.045 40 0 JEABMO O=C(COc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1Cl)NCCC[NH+]1CCOCC1 ZINC000408595640 569966384 /nfs/dbraw/zinc/96/63/84/569966384.db2.gz SLWRKEVJTCJKAB-UHFFFAOYSA-N 1 1 485.965 2.497 40 0 JEABMO COc1ccc(OC)c(N(CC(=O)NCCC[NH+]2CCOCC2)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000408629692 569981779 /nfs/dbraw/zinc/98/17/79/569981779.db2.gz GHJBESYWMSYQOR-UHFFFAOYSA-N 1 1 491.610 2.046 40 0 JEABMO CCOc1ccc(S(=O)(=O)N(CC(=O)NCCC[NH+]2CCOCC2)C2CCCCC2)cc1 ZINC000408636499 569986694 /nfs/dbraw/zinc/98/66/94/569986694.db2.gz RFESURCFKLQGFY-UHFFFAOYSA-N 1 1 467.632 2.247 40 0 JEABMO CCOc1ccc(S(=O)(=O)N(CC(=O)NCCC[NH+]2CCOCC2)Cc2ccccc2)cc1 ZINC000408636853 569987044 /nfs/dbraw/zinc/98/70/44/569987044.db2.gz UYOFUCJNLBUOON-UHFFFAOYSA-N 1 1 475.611 2.115 40 0 JEABMO CC(C)[N@@H+]1Cc2ccccc2OC/C=C\[C@H]2CN(CC[C@H]2CC(=O)N2CC[C@@H](O)C2)C(=O)C1 ZINC000253403060 570096904 /nfs/dbraw/zinc/09/69/04/570096904.db2.gz PHGCCOWFGXWYMC-VUKYNOIASA-N 1 1 455.599 2.294 40 0 JEABMO CC(C)[N@H+]1Cc2ccccc2OC/C=C\[C@H]2CN(CC[C@H]2CC(=O)N2CC[C@@H](O)C2)C(=O)C1 ZINC000253403060 570096905 /nfs/dbraw/zinc/09/69/05/570096905.db2.gz PHGCCOWFGXWYMC-VUKYNOIASA-N 1 1 455.599 2.294 40 0 JEABMO CC(C)[N@@H+]1Cc2ccccc2OC/C=C\[C@H]2CN(CC[C@H]2CC(=O)N2CCN(C=O)CC2)C(=O)C1 ZINC000253406811 570097267 /nfs/dbraw/zinc/09/72/67/570097267.db2.gz UZVUPYIHUKUORR-PXPXVXOKSA-N 1 1 482.625 2.001 40 0 JEABMO CC(C)[N@H+]1Cc2ccccc2OC/C=C\[C@H]2CN(CC[C@H]2CC(=O)N2CCN(C=O)CC2)C(=O)C1 ZINC000253406811 570097268 /nfs/dbraw/zinc/09/72/68/570097268.db2.gz UZVUPYIHUKUORR-PXPXVXOKSA-N 1 1 482.625 2.001 40 0 JEABMO O=CN1CCN(C(=O)C[C@@H]2CCN3C[C@@H]2/C=C\COc2ccccc2C[N@@H+](C2CCC2)CC3=O)CC1 ZINC000253406508 570097294 /nfs/dbraw/zinc/09/72/94/570097294.db2.gz UQWZWCZTMFAINS-LIOVRKMKSA-N 1 1 494.636 2.145 40 0 JEABMO O=CN1CCN(C(=O)C[C@@H]2CCN3C[C@@H]2/C=C\COc2ccccc2C[N@H+](C2CCC2)CC3=O)CC1 ZINC000253406508 570097295 /nfs/dbraw/zinc/09/72/95/570097295.db2.gz UQWZWCZTMFAINS-LIOVRKMKSA-N 1 1 494.636 2.145 40 0 JEABMO COc1ccc(C[N@@H+](C)[C@@H]2[C@@H](O)[C@H](Oc3cccc(F)c3)C[C@H]2NC(=O)c2cn[nH]c2)cc1 ZINC000257218096 570113598 /nfs/dbraw/zinc/11/35/98/570113598.db2.gz DBWRSHLAZWEWQS-LUKWVAJMSA-N 1 1 454.502 2.369 40 0 JEABMO Cc1nn(C)cc1C(=O)N1CC[C@H](Oc2ccc(Cl)cc2)[C@@H](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000257269224 570129407 /nfs/dbraw/zinc/12/94/07/570129407.db2.gz MPCHITPSVPXLGA-AVRDEDQJSA-N 1 1 474.005 2.456 40 0 JEABMO COc1ccc(C[N@@H+](C)[C@@H]2[C@@H](O)[C@H](Oc3cccc(F)c3)C[C@H]2NC(=O)c2ccnnc2)cc1 ZINC000257280873 570133004 /nfs/dbraw/zinc/13/30/04/570133004.db2.gz OMTNMQZAZNRPHY-LWSSLDFYSA-N 1 1 466.513 2.436 40 0 JEABMO Cc1nc(CC(=O)N2CC[C@H](Oc3ccccc3)[C@@H](CC(=O)N3CC[NH+](C)CC3)C2)cs1 ZINC000257292215 570136299 /nfs/dbraw/zinc/13/62/99/570136299.db2.gz QKMXSBQOCKRCEK-UGKGYDQZSA-N 1 1 456.612 2.454 40 0 JEABMO Cn1cnc(C(=O)N[C@@H]2C[C@@H](Oc3cccc(F)c3)[C@H](O)[C@H]2[N@@H+]2CCc3ccccc3C2)c1 ZINC000257300679 570138670 /nfs/dbraw/zinc/13/86/70/570138670.db2.gz RVHGKENFZOUHCG-AZOUXBGGSA-N 1 1 450.514 2.297 40 0 JEABMO Cn1cnc(C(=O)N[C@@H]2C[C@@H](Oc3cccc(F)c3)[C@H](O)[C@H]2[N@H+]2CCc3ccccc3C2)c1 ZINC000257300679 570138671 /nfs/dbraw/zinc/13/86/71/570138671.db2.gz RVHGKENFZOUHCG-AZOUXBGGSA-N 1 1 450.514 2.297 40 0 JEABMO COc1ccc(C[N@@H+](C)[C@@H]2[C@@H](O)[C@H](Oc3cccc(F)c3)C[C@H]2NC(=O)c2ccn[nH]2)cc1 ZINC000257318546 570144042 /nfs/dbraw/zinc/14/40/42/570144042.db2.gz VOJCKLPXJSLGQK-LUKWVAJMSA-N 1 1 454.502 2.369 40 0 JEABMO CCn1cc(C(=O)N2CC[C@H](Oc3ccc(F)cc3)[C@@H](CC(=O)N3CC[NH+](C)CC3)C2)c(C)n1 ZINC000257331365 570147930 /nfs/dbraw/zinc/14/79/30/570147930.db2.gz XSODCNVZWMNNKR-CVDCTZTESA-N 1 1 471.577 2.424 40 0 JEABMO COc1ccc(C)cc1N([C@H](C)C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)S(C)(=O)=O ZINC000260890942 570161928 /nfs/dbraw/zinc/16/19/28/570161928.db2.gz VNDWAVYUJBZVJQ-LJQANCHMSA-N 1 1 475.611 2.307 40 0 JEABMO COc1ccc(N([C@H](C)C(=O)NCc2cccc(C[NH+]3CCOCC3)c2)S(C)(=O)=O)cc1OC ZINC000260894940 570162340 /nfs/dbraw/zinc/16/23/40/570162340.db2.gz GSLBPGLKTVFIJF-GOSISDBHSA-N 1 1 491.610 2.007 40 0 JEABMO Cc1cc(C)n(-c2ccc(=O)n(CC(=O)N3CCCC4=C[C@H]5C[C@H](C[N@H+]6CCCC[C@@H]56)[C@@H]43)n2)n1 ZINC000263586705 570171837 /nfs/dbraw/zinc/17/18/37/570171837.db2.gz XBHLQNASQHHHMR-IMIIHFCZSA-N 1 1 462.598 2.467 40 0 JEABMO Cc1ccc(C)c(NS(=O)(=O)c2ccc(OCC(=O)NCCC[NH+]3CCOCC3)cc2)c1 ZINC000408590503 570209011 /nfs/dbraw/zinc/20/90/11/570209011.db2.gz HOXCUFANBJFERM-UHFFFAOYSA-N 1 1 461.584 2.322 40 0 JEABMO C[C@@H](NS(=O)(=O)c1ccc(CCC(=O)NCCC[NH+]2CCOCC2)cc1)c1ccccc1 ZINC000408592924 570209655 /nfs/dbraw/zinc/20/96/55/570209655.db2.gz KUYDSCAWQJBIKS-HXUWFJFHSA-N 1 1 459.612 2.497 40 0 JEABMO COCCNC(=O)[C@@H](C)[C@@H]1CC[C@@]2(C)Cc3sc(NC(=O)C[NH+](C)C)nc3[C@@H](C)[C@@H]2[C@H]1O ZINC000003840956 194363217 /nfs/dbraw/zinc/36/32/17/194363217.db2.gz CZKHWPWLRARADN-AAMXNRIPSA-N 1 1 466.648 2.095 40 0 biogenic,in-vitro JEABMO O=C(NCc1ccc(C[NH+]2CCOCC2)cc1)[C@H]1CCCN(S(=O)(=O)c2cccs2)C1 ZINC000021936241 195336504 /nfs/dbraw/zinc/33/65/04/195336504.db2.gz XAKQEPJJMAXEHS-FQEVSTJZSA-N 1 1 463.625 2.297 40 0 JEABMO C[N@@H+](CCc1ccccc1)[C@H]1[C@@H](CNC(=O)c2ccc(C(F)(F)F)cc2)O[C@@H](CO)[C@H]1O ZINC000020465767 522956091 /nfs/dbraw/zinc/95/60/91/522956091.db2.gz HEKDZTNDYQIFRD-IVAOSVALSA-N 1 1 452.473 2.099 40 0 biogenic,in-vitro JEABMO Cc1cc(C)c2cc([C@H](c3nnnn3C[C@H]3CCCO3)N3CC[N@H+]4CCC[C@@H]4C3)c(=O)[nH]c2c1 ZINC000022797045 524351842 /nfs/dbraw/zinc/35/18/42/524351842.db2.gz SALFWCHEXNOMBM-DNVFCKCGSA-N 1 1 463.586 2.180 40 0 JEABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@H](C)N(c2ccc3c(c2)OCCO3)S(C)(=O)=O)cc1 ZINC000020459810 527371804 /nfs/dbraw/zinc/37/18/04/527371804.db2.gz RVIFQCIWHFQCPC-INIZCTEOSA-N 1 1 470.551 2.423 40 0 JEABMO CC(=O)N1CCC([N@@H+]2C[C@H]3C[C@H](Cn4c(=O)ccc(NC(=O)COc5ccccc5)c43)C2)CC1 ZINC000008300414 554565907 /nfs/dbraw/zinc/56/59/07/554565907.db2.gz LSJTVIDTZBAISZ-VQTJNVASSA-N 1 1 464.566 2.296 40 0 biogenic,in-vitro JEABMO COc1ccc([C@@H]2NC3=NCN(CCC[NH+]4CCOCC4)CN3c3nc4ccccc4n32)cc1 ZINC000009262548 555037557 /nfs/dbraw/zinc/03/75/57/555037557.db2.gz SOONSXUMBNMHLE-HSZRJFAPSA-N 1 1 461.570 2.310 40 0 JEABMO O=c1[nH]c2cc3c(cc2cc1CN(Cc1ccco1)C(=S)NCCC[NH+]1CCOCC1)OCCO3 ZINC000013556806 555494096 /nfs/dbraw/zinc/49/40/96/555494096.db2.gz UFZQWVGHVNZOAK-UHFFFAOYSA-N 1 1 498.605 2.491 40 0 JEABMO O=c1[nH]c2cc3c(cc2cc1CN(CCC[NH+]1CCOCC1)C(=S)NCc1ccco1)OCO3 ZINC000019940500 555558902 /nfs/dbraw/zinc/55/89/02/555558902.db2.gz AJERPYKOINRWSQ-UHFFFAOYSA-N 1 1 484.578 2.449 40 0 JEABMO CCC(C)(C)n1nnnc1[C@@H](c1cc2cc(OC)c(OC)cc2[nH]c1=O)N1CC[NH+](C)CC1 ZINC000020080672 555629361 /nfs/dbraw/zinc/62/93/61/555629361.db2.gz MWULEYLMRMUOAK-HXUWFJFHSA-N 1 1 455.563 2.014 40 0 JEABMO CCOc1ccc2[nH]c(=O)c([C@H](c3nnnn3Cc3ccc(F)cc3)N3CC[NH+](C)CC3)cc2c1 ZINC000020080542 555629429 /nfs/dbraw/zinc/62/94/29/555629429.db2.gz QTKFQIRKLDGCSX-HSZRJFAPSA-N 1 1 477.544 2.438 40 0 JEABMO COc1cc2cc([C@H](c3nnnn3Cc3ccc(F)cc3)N3CC[NH+](C)CC3)c(=O)[nH]c2cc1OC ZINC000020080683 555629563 /nfs/dbraw/zinc/62/95/63/555629563.db2.gz UKUBABZNLGMHAK-HSZRJFAPSA-N 1 1 493.543 2.056 40 0 JEABMO C[C@@H](CSc1nc2ccccc2s1)Cn1c(N2CC[NH+](C)CC2)nc2c1c(=O)[nH]c(=O)n2C ZINC000010249290 555660276 /nfs/dbraw/zinc/66/02/76/555660276.db2.gz IIFGWHVCVJCVJU-CQSZACIVSA-N 1 1 485.639 2.213 40 0 JEABMO COc1ccc(Cl)cc1N(CC(=O)NCCC[NH+]1CCN(C)CC1)S(=O)(=O)c1ccccc1 ZINC000022829464 555955433 /nfs/dbraw/zinc/95/54/33/555955433.db2.gz RWYOJRABGRKJCW-UHFFFAOYSA-N 1 1 495.045 2.298 40 0 JEABMO COc1ccc(Cn2nnnc2[C@@H](c2cc3cccc(C)c3[nH]c2=O)N2CC[NH+](C)CC2)cc1 ZINC000022872913 555962846 /nfs/dbraw/zinc/96/28/46/555962846.db2.gz XJSLYQVFHATNCD-HSZRJFAPSA-N 1 1 459.554 2.217 40 0 JEABMO Cn1c(CN2CC[C@@H]3[C@H]2C(=O)NC[C@H](CCC(=O)NCc2ccc(F)cc2)[N@H+]3C)nc2ccccc21 ZINC000022920916 555974787 /nfs/dbraw/zinc/97/47/87/555974787.db2.gz IZVRBOABEHSTGV-CLLDFNAGSA-N 1 1 492.599 2.182 40 0 biogenic,in-vitro JEABMO C[N@H+]1[C@@H]2CCN(Cc3ccc(F)cc3)[C@@H]2C(=O)NC[C@@H]1CCC(=O)NCc1ccc(F)cc1 ZINC000022922817 555975905 /nfs/dbraw/zinc/97/59/05/555975905.db2.gz FJIBZXPNPJXLMA-ZDXQCDESSA-N 1 1 456.537 2.435 40 0 biogenic,in-vitro JEABMO CC[NH+]1CCN([C@@H](c2nnnn2Cc2ccc3c(c2)OCO3)c2cc(OC)ccc2OC)CC1 ZINC000022929722 555982404 /nfs/dbraw/zinc/98/24/04/555982404.db2.gz NUXGUOYAIIPMAF-HSZRJFAPSA-N 1 1 466.542 2.194 40 0 JEABMO Cc1ccc2[nH]c(=O)c(CN(CCC[NH+]3CCOCC3)C(=S)NC[C@@H]3CCCO3)cc2c1 ZINC000026100122 556241150 /nfs/dbraw/zinc/24/11/50/556241150.db2.gz CIWPUYKANAWTEW-NRFANRHFSA-N 1 1 458.628 2.414 40 0 JEABMO C[NH+]1CCN([C@H](c2nnnn2C2CCCCC2)c2cc3cc4c(cc3[nH]c2=O)OCO4)CC1 ZINC000019589838 556355807 /nfs/dbraw/zinc/35/58/07/556355807.db2.gz GNHWBZRNKUCSCP-NRFANRHFSA-N 1 1 451.531 2.085 40 0 JEABMO COCCn1nnnc1[C@@H](c1cc2ccc(OC)cc2[nH]c1=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000019593912 556356126 /nfs/dbraw/zinc/35/61/26/556356126.db2.gz OACMOUNOFCLMID-XMMPIXPASA-N 1 1 489.580 2.077 40 0 JEABMO COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCc3ccc(C[NH+]4CCOCC4)cc3)C2)cc1 ZINC000029882772 556359904 /nfs/dbraw/zinc/35/99/04/556359904.db2.gz TYHPDHKNZQXVDW-JOCHJYFZSA-N 1 1 487.622 2.245 40 0 JEABMO Cc1cccc2cc(CN(C[C@H]3CCCO3)C(=S)NCCC[NH+]3CCOCC3)c(=O)[nH]c12 ZINC000019822801 556392719 /nfs/dbraw/zinc/39/27/19/556392719.db2.gz PZGNPPYMBXXXHY-OAQYLSRUSA-N 1 1 458.628 2.414 40 0 JEABMO Cc1cccc2cc(CN(CCC[NH+]3CCOCC3)C(=S)NC[C@H]3CCCO3)c(=O)[nH]c12 ZINC000019822774 556392791 /nfs/dbraw/zinc/39/27/91/556392791.db2.gz AAWIDKDTDAEJBK-OAQYLSRUSA-N 1 1 458.628 2.414 40 0 JEABMO O=C(Nc1cccnc1)N[C@H]1CO[C@@H](C[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)[C@@H]1O ZINC000514289695 560032104 /nfs/dbraw/zinc/03/21/04/560032104.db2.gz YJWKEVPSTPYLBE-SLFFLAALSA-N 1 1 465.476 2.172 40 0 biogenic,in-vitro JEABMO Cn1cc(C[N@H+]2C[C@@H]3CN(Cc4ccc(F)cc4)CCC[C@]3(C(=O)N3CCOCC3)C2)cn1 ZINC000096056193 569732524 /nfs/dbraw/zinc/73/25/24/569732524.db2.gz SNBVHLGXKFOFAI-DHLKQENFSA-N 1 1 455.578 2.132 40 0 JEABMO CCOC(=O)C[C@@]12C(=O)NCC[N@@H+]1[C@@H](c1ccc(C)cc1)[C@H]1C(=O)N(c3ccc(C)cc3)C(=O)[C@@H]12 ZINC000101452047 569797702 /nfs/dbraw/zinc/79/77/02/569797702.db2.gz XMLXGBKNGMFWHC-NBCVKUGOSA-N 1 1 475.545 2.288 40 0 JEABMO CS(=O)(=O)N1C[C@H](C(=O)NCc2cccc(C[NH+]3CCOCC3)c2)Oc2ccc(Cl)cc21 ZINC000038831893 569808768 /nfs/dbraw/zinc/80/87/68/569808768.db2.gz GUPXWDKHXJEMLJ-OAQYLSRUSA-N 1 1 479.986 2.016 40 0 JEABMO COc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)NCCC[NH+]2CCOCC2)cc1OC ZINC000223721099 569921115 /nfs/dbraw/zinc/92/11/15/569921115.db2.gz OGFGTHCARCVPHT-MNDPQUGUSA-N 1 1 459.568 2.375 40 0 JEABMO CN(C)S(=O)(=O)c1ccc(OCCNC(=O)[C@H]2CCC[N@@H+](Cc3ccc(F)cc3)C2)cc1 ZINC000224261317 569938448 /nfs/dbraw/zinc/93/84/48/569938448.db2.gz DUYQUDAUYSABCN-IBGZPJMESA-N 1 1 463.575 2.483 40 0 JEABMO COc1ccc(OC)c(N([C@@H](C)C(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)S(C)(=O)=O)c1 ZINC000224577899 569949271 /nfs/dbraw/zinc/94/92/71/569949271.db2.gz WHNAMWIXAUEKOJ-SFHVURJKSA-N 1 1 491.610 2.007 40 0 JEABMO COc1ccc(N([C@@H](C)C(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)S(C)(=O)=O)cc1OC ZINC000224577974 569949284 /nfs/dbraw/zinc/94/92/84/569949284.db2.gz BHJPLYMMIPKUHC-SFHVURJKSA-N 1 1 491.610 2.007 40 0 JEABMO COc1cccc(N(CCCC(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)S(C)(=O)=O)c1 ZINC000224581591 569949449 /nfs/dbraw/zinc/94/94/49/569949449.db2.gz OGOYIEVXUVELLH-UHFFFAOYSA-N 1 1 475.611 2.390 40 0 JEABMO CC[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000224587200 569949625 /nfs/dbraw/zinc/94/96/25/569949625.db2.gz AMLWUVSVHFBVKR-QHCPKHFHSA-N 1 1 475.611 2.388 40 0 JEABMO COc1ccc(S(=O)(=O)NCc2cccc(C[NH+]3CCOCC3)c2)cc1N1CCCC1=O ZINC000224735922 569955480 /nfs/dbraw/zinc/95/54/80/569955480.db2.gz MMJXMEKBYLZWIV-UHFFFAOYSA-N 1 1 459.568 2.133 40 0 JEABMO COc1ccc(N([C@@H](C)C(=O)NCc2cccc(C[NH+]3CCOCC3)c2)S(C)(=O)=O)cc1OC ZINC000224745070 569955757 /nfs/dbraw/zinc/95/57/57/569955757.db2.gz GSLBPGLKTVFIJF-SFHVURJKSA-N 1 1 491.610 2.007 40 0 JEABMO CC[C@H](C(=O)NCc1cccc(C[NH+]2CCOCC2)c1)N(c1ccc(OC)cc1)S(C)(=O)=O ZINC000224746877 569955787 /nfs/dbraw/zinc/95/57/87/569955787.db2.gz BGMZKAYFLPVVFQ-HSZRJFAPSA-N 1 1 475.611 2.388 40 0 JEABMO CS(=O)(=O)N(CC(=O)NCc1cccc(C[NH+]2CCOCC2)c1)Cc1ccccc1Cl ZINC000224754642 569956073 /nfs/dbraw/zinc/95/60/73/569956073.db2.gz AYFXSQKQIYVESL-UHFFFAOYSA-N 1 1 466.003 2.250 40 0 JEABMO Cc1ccc(N2C[C@@H](C(=O)Nc3ccccc3C(=O)NCCC[NH+]3CCOCC3)CC2=O)cc1 ZINC000408616155 569975338 /nfs/dbraw/zinc/97/53/38/569975338.db2.gz WPTHEFFBEAYSIV-FQEVSTJZSA-N 1 1 464.566 2.439 40 0 JEABMO Cc1ccc(S(=O)(=O)N(CC(=O)NCCC[NH+]2CCOCC2)Cc2cccc(C)c2)cc1 ZINC000408618776 569976924 /nfs/dbraw/zinc/97/69/24/569976924.db2.gz FUOOFRQDJPUITF-UHFFFAOYSA-N 1 1 459.612 2.333 40 0 JEABMO COc1ccc(C(C)C)cc1S(=O)(=O)N1CCC[C@H](C(=O)NCCC[NH+]2CCOCC2)C1 ZINC000408701197 570021648 /nfs/dbraw/zinc/02/16/48/570021648.db2.gz TZAGNKYGVNKDAI-FQEVSTJZSA-N 1 1 467.632 2.058 40 0 JEABMO C[NH+]1CCN(C(=O)C[C@]2(COc3ccc(F)cc3)CN(Cc3ccc(F)cn3)CCO2)CC1 ZINC000257236132 570118991 /nfs/dbraw/zinc/11/89/91/570118991.db2.gz HAXQTHAVHNKBSF-XMMPIXPASA-N 1 1 460.525 2.174 40 0 JEABMO COc1cc(C(=O)N2CC[N@H+](Cc3ccccc3)C[C@@H]2C(N)=O)ccc1OCc1ccccn1 ZINC000257252630 570123973 /nfs/dbraw/zinc/12/39/73/570123973.db2.gz JVMVBGDPFDFQDX-JOCHJYFZSA-N 1 1 460.534 2.481 40 0 JEABMO COc1cc(C(=O)N2CC[N@@H+](Cc3ccccc3)C[C@@H]2C(N)=O)ccc1OCc1ccccn1 ZINC000257252630 570123974 /nfs/dbraw/zinc/12/39/74/570123974.db2.gz JVMVBGDPFDFQDX-JOCHJYFZSA-N 1 1 460.534 2.481 40 0 JEABMO C[NH+]1CCN(C(=O)C[C@H]2CN(C(=O)CCCc3cn[nH]c3)CC[C@@H]2Oc2ccccc2)CC1 ZINC000257256280 570125028 /nfs/dbraw/zinc/12/50/28/570125028.db2.gz KKUOPCHPGKJLKL-GMAHTHKFSA-N 1 1 453.587 2.193 40 0 JEABMO CC(=O)N1CC[N@@H+](Cc2ccnc(N3CCOCC3)n2)C[C@@H](Cc2cccc3cccnc32)C1 ZINC000257273681 570130730 /nfs/dbraw/zinc/13/07/30/570130730.db2.gz NHRGMGIPAPCSNO-OAQYLSRUSA-N 1 1 460.582 2.384 40 0 JEABMO Cc1cc(C)n(CC(=O)N2CCC(COc3ccccc3)(CC(=O)N3CC[NH+](C)CC3)CC2)n1 ZINC000257283830 570133818 /nfs/dbraw/zinc/13/38/18/570133818.db2.gz PAAAAUUJCVOOGN-UHFFFAOYSA-N 1 1 467.614 2.352 40 0 JEABMO Cc1n[nH]c(C)c1CCC(=O)N1CC[C@H](Oc2ccccc2)[C@@H](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000257296122 570137322 /nfs/dbraw/zinc/13/73/22/570137322.db2.gz RBJAXDZRCWJXSY-URXFXBBRSA-N 1 1 467.614 2.419 40 0 JEABMO O=C1CCCN1CCOc1ccc(C[N@@H+]2CC[C@](O)(CN3CCN(c4ccccc4)CC3)C2)cc1 ZINC000257307373 570140588 /nfs/dbraw/zinc/14/05/88/570140588.db2.gz SYIOBKXTPGWMEC-NDEPHWFRSA-N 1 1 478.637 2.447 40 0 JEABMO O=C1CCCN1CCOc1ccc(CN2CC[C@](O)(C[NH+]3CCN(c4ccccc4)CC3)C2)cc1 ZINC000257307373 570140589 /nfs/dbraw/zinc/14/05/89/570140589.db2.gz SYIOBKXTPGWMEC-NDEPHWFRSA-N 1 1 478.637 2.447 40 0 JEABMO CC(=O)N1CC[NH+]([C@H]2CCN(C(=O)COc3ccc(-c4csc(C)n4)cc3)CC[C@@H]2O)CC1 ZINC000257323895 570145654 /nfs/dbraw/zinc/14/56/54/570145654.db2.gz WMHULQZEKFUJMV-GOTSBHOMSA-N 1 1 472.611 2.013 40 0 JEABMO CCS(=O)(=O)N1CCC[C@](COc2ccc(Cl)cc2)(CC(=O)N2CC[NH+](C)CC2)C1 ZINC000257328900 570147255 /nfs/dbraw/zinc/14/72/55/570147255.db2.gz XHNNPPGNAGITPQ-NRFANRHFSA-N 1 1 458.024 2.315 40 0 JEABMO Cc1nc(CN2CCO[C@@](COc3ccc(Cl)cc3)(CC(=O)N3CC[NH+](C)CC3)C2)co1 ZINC000257332003 570148075 /nfs/dbraw/zinc/14/80/75/570148075.db2.gz XVHZTJYBCBWJME-QHCPKHFHSA-N 1 1 462.978 2.451 40 0 JEABMO Cc1nc(CN2CCO[C@](COc3ccc(Cl)cc3)(CC(=O)N3CC[NH+](C)CC3)C2)co1 ZINC000257332002 570148132 /nfs/dbraw/zinc/14/81/32/570148132.db2.gz XVHZTJYBCBWJME-HSZRJFAPSA-N 1 1 462.978 2.451 40 0 JEABMO Cc1cccc(NC(=O)COc2ccc(N3C[C@H](C(=O)NCCC[NH+]4CCOCC4)CC3=O)cc2)c1 ZINC000408582211 570206890 /nfs/dbraw/zinc/20/68/90/570206890.db2.gz VWKWPVNPVSQPBR-OAQYLSRUSA-N 1 1 494.592 2.204 40 0 JEABMO CCOc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NCCC[NH+]3CCOCC3)cc2)cc1 ZINC000408593170 570209726 /nfs/dbraw/zinc/20/97/26/570209726.db2.gz MVPWKYRTXHGHQF-UHFFFAOYSA-N 1 1 477.583 2.103 40 0 JEABMO