smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)(C)C[C@@H](NC(=O)NN=c1ccc(-c2nn[nH]n2)c[nH]1)c1ccc(F)cc1 ZINC001573842604 950152071 /nfs/dbraw/zinc/15/20/71/950152071.db2.gz IZKYTDVQQHRNCE-OAHLLOKOSA-N 0 1 398.446 3.204 20 50 GGGDMN CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)NNc2ncccc2C(=O)[O-])c1 ZINC001603110231 972188902 /nfs/dbraw/zinc/18/89/02/972188902.db2.gz YQHBYMCUJOGGCN-UHFFFAOYSA-N 0 1 394.435 3.297 20 50 GGGDMN CC(C)(C)[Si](C)(C)OCc1ccc(C[N@H+]2C[C@H](O)C[C@@H](C(=O)[O-])C2)cc1 ZINC001590451380 990013121 /nfs/dbraw/zinc/01/31/21/990013121.db2.gz JOCRNOFPHHYNQW-QZTJIDSGSA-N 0 1 379.573 3.476 20 50 GGGDMN CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)NNc1cccc(C(=O)[O-])c1 ZINC001593942991 996976610 /nfs/dbraw/zinc/97/66/10/996976610.db2.gz YLSDYYJHZJENHC-LJQANCHMSA-N 0 1 396.491 3.312 20 50 GGGDMN C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)NNc3cccc(C(=O)[O-])c3)cc2)C1 ZINC001594383853 999451311 /nfs/dbraw/zinc/45/13/11/999451311.db2.gz MEHMIMFVDQCXLH-INIZCTEOSA-N 0 1 396.491 3.443 20 50 GGGDMN C[C@@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)NNc1ccccc1C(=O)[O-] ZINC000833616398 605722059 /nfs/dbraw/zinc/72/20/59/605722059.db2.gz ZEFSSWVXDDNQBY-MRXNPFEDSA-N 0 1 397.475 3.395 20 50 GGGDMN C[C@H]1C[C@H](CCNC(=O)NNc2cccc(C(=O)[O-])c2)C[N@H+]1Cc1ccccc1 ZINC000833593839 605746421 /nfs/dbraw/zinc/74/64/21/605746421.db2.gz ZVOGSUSGSYYLIP-WMZOPIPTSA-N 0 1 396.491 3.312 20 50 GGGDMN C[C@H]1C[C@H](NC(=O)NNc2cccc(C(=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC000833599606 605746641 /nfs/dbraw/zinc/74/66/41/605746641.db2.gz FNHVRGSTJYMHJD-MAUKXSAKSA-N 0 1 382.464 3.064 20 50 GGGDMN CC(C)c1nc(-c2nn[nH]n2)c(NNC(=O)[C@@H](C)CCCc2ccccc2)o1 ZINC000824400214 608583569 /nfs/dbraw/zinc/58/35/69/608583569.db2.gz CFNOJUXUAPUVFC-ZDUSSCGKSA-N 0 1 383.456 3.080 20 50 GGGDMN CC(C)c1[nH+]c(C=C(C#N)C(=O)c2cccc(-c3nnn[n-]3)c2)c2ccccn21 ZINC000824358429 1443507424 /nfs/dbraw/zinc/50/74/24/1443507424.db2.gz JUMGJPDOQTZFDQ-LFIBNONCSA-N 0 1 383.415 3.428 20 50 GGGDMN CC(C)c1nc(-c2nn[nH]n2)c(NNC(=O)C[C@H]2C[C@H](C)CC(C)(C)C2)o1 ZINC000736228630 944768258 /nfs/dbraw/zinc/76/82/58/944768258.db2.gz OTKLUJNDTJXDOT-NWDGAFQWSA-N 0 1 375.477 3.274 20 50 GGGDMN CC(C)c1nc(-c2nn[nH]n2)c(NNC(=O)C[C@@H]2C[C@@H](C)CC(C)(C)C2)o1 ZINC000736228628 944768742 /nfs/dbraw/zinc/76/87/42/944768742.db2.gz OTKLUJNDTJXDOT-NEPJUHHUSA-N 0 1 375.477 3.274 20 50 GGGDMN CC(C)c1nc(-c2nn[nH]n2)c(NNC(=O)c2c(Cl)cccc2Cl)o1 ZINC000820202693 945375677 /nfs/dbraw/zinc/37/56/77/945375677.db2.gz JSLGDKXKJGZSBZ-UHFFFAOYSA-N 0 1 382.211 3.042 20 50 GGGDMN CC(C)c1ccc2c(c1)[C@@H](NC(=O)NN=c1ccc(-c3nn[nH]n3)c[nH]1)CCC2 ZINC001574416639 948757373 /nfs/dbraw/zinc/75/73/73/948757373.db2.gz ALTYBSCRNRNZRN-KRWDZBQOSA-N 0 1 392.467 3.089 20 50 GGGDMN C[C@@H](CCNC(=O)NNc1ccc(C(=O)[O-])cc1F)[N@@H+](C)Cc1ccccc1 ZINC001592522226 978380158 /nfs/dbraw/zinc/38/01/58/978380158.db2.gz YATQEXSSZNYTPN-AWEZNQCLSA-N 0 1 388.443 3.061 20 50 GGGDMN C=C(CBr)C[N@H+](C)[C@@H](C(=O)[O-])c1cccc(Br)c1 ZINC001588605288 983691913 /nfs/dbraw/zinc/69/19/13/983691913.db2.gz GFKBGFFHNZLUAQ-GFCCVEGCSA-N 0 1 377.076 3.458 20 50 GGGDMN CC[N@@H+](CCCNC(=O)NNc1ccc(F)c(C(=O)[O-])c1)C1CCCCC1 ZINC001596326104 983759530 /nfs/dbraw/zinc/75/95/30/983759530.db2.gz CTJMBFZZWGZJEA-UHFFFAOYSA-N 0 1 380.464 3.195 20 50 GGGDMN C[C@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)NNc1ccccc1C(=O)[O-] ZINC000833616396 605721977 /nfs/dbraw/zinc/72/19/77/605721977.db2.gz ZEFSSWVXDDNQBY-INIZCTEOSA-N 0 1 397.475 3.395 20 50 GGGDMN C[C@H]1C[C@@H](CCNC(=O)NNc2cccc(C(=O)[O-])c2)C[N@H+]1Cc1ccccc1 ZINC000833593835 605746533 /nfs/dbraw/zinc/74/65/33/605746533.db2.gz ZVOGSUSGSYYLIP-FUHWJXTLSA-N 0 1 396.491 3.312 20 50 GGGDMN CC(=Cc1cccc(Cl)c1)C(=O)NNc1oc(C(C)C)nc1-c1nn[nH]n1 ZINC000823944190 607980009 /nfs/dbraw/zinc/98/00/09/607980009.db2.gz ZQTNHLSKEILTHT-JXMROGBWSA-N 0 1 387.831 3.178 20 50 GGGDMN CC(=Cc1cccc(Cl)c1)C(=O)NNc1oc(C(C)C)nc1-c1nn[nH]n1 ZINC000823944191 607980147 /nfs/dbraw/zinc/98/01/47/607980147.db2.gz ZQTNHLSKEILTHT-YFHOEESVSA-N 0 1 387.831 3.178 20 50 GGGDMN CC[C@@H](C)[C@H](C(=O)NNc1oc(C(C)C)nc1-c1nn[nH]n1)c1ccccc1 ZINC000736319202 944800117 /nfs/dbraw/zinc/80/01/17/944800117.db2.gz IYMVFJMBBQRVIU-OCCSQVGLSA-N 0 1 383.456 3.251 20 50 GGGDMN CC(C)c1nc(-c2nn[nH]n2)c(NNC(=O)c2cc3cccc(Cl)c3o2)o1 ZINC000820201813 945372641 /nfs/dbraw/zinc/37/26/41/945372641.db2.gz AGOPGVFYLZCMCP-UHFFFAOYSA-N 0 1 387.787 3.135 20 50 GGGDMN CC(C)(C)C[C@H](NC(=O)NN=c1ccc(-c2nn[nH]n2)c[nH]1)c1ccccc1 ZINC001573843311 950171029 /nfs/dbraw/zinc/17/10/29/950171029.db2.gz UJLSVEWSVWKWEH-HNNXBMFYSA-N 0 1 380.456 3.065 20 50 GGGDMN CC(C)(C)[Si](C)(C)OCc1ccc(C[N@@H+]2C[C@H](C(=O)[O-])C[C@H](O)C2)cc1 ZINC001590451372 990012868 /nfs/dbraw/zinc/01/28/68/990012868.db2.gz JOCRNOFPHHYNQW-MSOLQXFVSA-N 0 1 379.573 3.476 20 50 GGGDMN CC(C)(C)[Si](C)(C)O[C@H]1CCC[N@H+](CC(=O)NC2(C(=O)[O-])CCCCC2)C1 ZINC001590451520 990014462 /nfs/dbraw/zinc/01/44/62/990014462.db2.gz MUGXXKXPOCOSJM-INIZCTEOSA-N 0 1 398.620 3.376 20 50 GGGDMN CC(C)(C)[Si](C)(C)O[C@H]1CCC[N@@H+](CC(=O)NC2(C(=O)[O-])CCCCC2)C1 ZINC001590451520 990014466 /nfs/dbraw/zinc/01/44/66/990014466.db2.gz MUGXXKXPOCOSJM-INIZCTEOSA-N 0 1 398.620 3.376 20 50 GGGDMN C[N@@H+](CCI)[C@H](C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC001598486554 992212903 /nfs/dbraw/zinc/21/29/03/992212903.db2.gz QJESVVCZVFVMLK-JTQLQIEISA-N 0 1 388.032 3.486 20 50 GGGDMN C[N@@H+](Cc1ccccc1)C1(CNC(=O)NNc2cccc(C(=O)[O-])c2)CCC1 ZINC001598526744 992730065 /nfs/dbraw/zinc/73/00/65/992730065.db2.gz HKDXGFRYVKCZGU-UHFFFAOYSA-N 0 1 382.464 3.066 20 50 GGGDMN C[N@H+]1CCN(Cc2nc(CO[Si](C)(C)C(C)(C)C)cs2)C[C@H](C(=O)[O-])C1 ZINC001598621422 994011363 /nfs/dbraw/zinc/01/13/63/994011363.db2.gz QJQQCRDEMINSDH-CQSZACIVSA-N 0 1 399.633 3.113 20 50 GGGDMN C[C@@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)NNc1cccc(C(=O)[O-])c1 ZINC000833613709 605733073 /nfs/dbraw/zinc/73/30/73/605733073.db2.gz CHHJUGSNOJJAJX-MRXNPFEDSA-N 0 1 397.475 3.395 20 50 GGGDMN CC(C)c1nc(-c2nn[nH]n2)c(NNC(=O)CCC(C)(C)c2ccccc2)o1 ZINC000824358438 607817604 /nfs/dbraw/zinc/81/76/04/607817604.db2.gz JZRRSHNPNYOHGC-UHFFFAOYSA-N 0 1 383.456 3.179 20 50 GGGDMN Cc1ccc(-c2ccc(C(=O)NNc3oc(C(C)C)nc3-c3nn[nH]n3)s2)o1 ZINC000826273605 609414642 /nfs/dbraw/zinc/41/46/42/609414642.db2.gz MDPYVYHJYDFVDR-UHFFFAOYSA-N 0 1 399.436 3.365 20 50 GGGDMN CC(C)c1[nH+]c(C=C(C#N)C(=O)c2cccc(-c3nnn[n-]3)c2)c2ccccn21 ZINC000824358430 1442020766 /nfs/dbraw/zinc/02/07/66/1442020766.db2.gz JUMGJPDOQTZFDQ-WJDWOHSUSA-N 0 1 383.415 3.428 20 50 GGGDMN CC(C)c1nc(-c2nn[nH]n2)c(NNC(=O)[C@@H]2CCCC[C@@H]2c2ccccc2)o1 ZINC001574424585 948860042 /nfs/dbraw/zinc/86/00/42/948860042.db2.gz QWZMBYAABAPLNY-HUUCEWRRSA-N 0 1 395.467 3.395 20 50 GGGDMN O=C([O-])[C@@H]1C[N@@H+](CCP(=O)(c2ccccc2)c2ccccc2)C[C@H]1C1CC1 ZINC001595190014 952274394 /nfs/dbraw/zinc/27/43/94/952274394.db2.gz OGXRVBCDUOCWQM-LEWJYISDSA-N 0 1 383.428 3.043 20 50 GGGDMN CC(C)[C@H](NC(=O)C[N@@H+]1CCCC[C@@H]1CO[Si](C)(C)C(C)(C)C)C(=O)[O-] ZINC001591866024 976165514 /nfs/dbraw/zinc/16/55/14/976165514.db2.gz GHGOBEHRTXLTTM-WBVHZDCISA-N 0 1 386.609 3.088 20 50 GGGDMN CC(C)[C@H](NC(=O)C[N@H+]1CCCC[C@@H]1CO[Si](C)(C)C(C)(C)C)C(=O)[O-] ZINC001591866024 976165520 /nfs/dbraw/zinc/16/55/20/976165520.db2.gz GHGOBEHRTXLTTM-WBVHZDCISA-N 0 1 386.609 3.088 20 50 GGGDMN O=C([O-])c1cc(OC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000740086842 978666425 /nfs/dbraw/zinc/66/64/25/978666425.db2.gz BMNKNNPOPOBYRK-HNNXBMFYSA-N 0 1 384.388 3.111 20 50 GGGDMN CC[N@@H+](CCCNC(=O)NNc1ccc(C(=O)[O-])c(F)c1)C1CCCCC1 ZINC001596326822 983761303 /nfs/dbraw/zinc/76/13/03/983761303.db2.gz MLSYIIRFZHRHPI-UHFFFAOYSA-N 0 1 380.464 3.195 20 50 GGGDMN CC(C)(C)[Si](C)(C)OCc1ccc(C[N@H+]2C[C@H](O)C[C@H](C(=O)[O-])C2)cc1 ZINC001590451386 990013047 /nfs/dbraw/zinc/01/30/47/990013047.db2.gz JOCRNOFPHHYNQW-ZWKOTPCHSA-N 0 1 379.573 3.476 20 50 GGGDMN CC(C)(C)[Si](C)(C)OCc1ccc(C[N@H+]2C[C@@H](O)C[C@H](C(=O)[O-])C2)cc1 ZINC001590451383 990013467 /nfs/dbraw/zinc/01/34/67/990013467.db2.gz JOCRNOFPHHYNQW-ROUUACIJSA-N 0 1 379.573 3.476 20 50 GGGDMN CC(C)(C)[Si](C)(C)O[C@@H]1CCC[N@H+](CC(=O)NC2(C(=O)[O-])CCCCC2)C1 ZINC001590451521 990014322 /nfs/dbraw/zinc/01/43/22/990014322.db2.gz MUGXXKXPOCOSJM-MRXNPFEDSA-N 0 1 398.620 3.376 20 50 GGGDMN CC(C)(C)[Si](C)(C)O[C@@H]1CCC[N@@H+](CC(=O)NC2(C(=O)[O-])CCCCC2)C1 ZINC001590451521 990014324 /nfs/dbraw/zinc/01/43/24/990014324.db2.gz MUGXXKXPOCOSJM-MRXNPFEDSA-N 0 1 398.620 3.376 20 50 GGGDMN CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)NNc1ccc(CC(=O)[O-])cc1 ZINC001590981051 991136957 /nfs/dbraw/zinc/13/69/57/991136957.db2.gz PNHKVNXBUMNAHJ-HXUWFJFHSA-N 0 1 398.507 3.096 20 50 GGGDMN CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)NNc1ccc(CC(=O)[O-])cc1 ZINC001590981050 991137031 /nfs/dbraw/zinc/13/70/31/991137031.db2.gz PNHKVNXBUMNAHJ-FQEVSTJZSA-N 0 1 398.507 3.096 20 50 GGGDMN C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)NNc1cccc(C(=O)[O-])c1 ZINC000833629892 605747462 /nfs/dbraw/zinc/74/74/62/605747462.db2.gz NXMWNLLGAKVSOM-IGOJGBNBSA-N 0 1 396.491 3.168 20 50 GGGDMN O=C(NNc1ccc(-c2nn[nH]n2)c(C(F)(F)F)c1)c1ccc(Cl)cc1O ZINC000823280778 606129156 /nfs/dbraw/zinc/12/91/56/606129156.db2.gz GCTFPZOHURILNC-UHFFFAOYSA-N 0 1 398.732 3.001 20 50 GGGDMN CCOc1cc(C=C(C#N)C(=O)c2cccc(-c3nn[nH]n3)c2)cc(Cl)c1O ZINC000825615611 608216536 /nfs/dbraw/zinc/21/65/36/608216536.db2.gz CIFKXPOSJZRHCZ-NSIKDUERSA-N 0 1 395.806 3.414 20 50 GGGDMN CC(C)(C)C[C@@H](NC(=O)NN=c1ccc(-c2nn[nH]n2)c[nH]1)c1ccccc1 ZINC001573843312 950167829 /nfs/dbraw/zinc/16/78/29/950167829.db2.gz UJLSVEWSVWKWEH-OAHLLOKOSA-N 0 1 380.456 3.065 20 50 GGGDMN CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NNc2cccc(C(=O)[O-])c2F)C1 ZINC001595452908 981116444 /nfs/dbraw/zinc/11/64/44/981116444.db2.gz IJVKTSRINQFPRM-CYBMUJFWSA-N 0 1 380.464 3.051 20 50 GGGDMN CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)NNc2cccc(C(=O)[O-])c2F)C1 ZINC001595452910 981116567 /nfs/dbraw/zinc/11/65/67/981116567.db2.gz IJVKTSRINQFPRM-ZDUSSCGKSA-N 0 1 380.464 3.051 20 50 GGGDMN CC[N@@H+](CCCNC(=O)NNc1cccc(C(=O)[O-])c1F)C1CCCCC1 ZINC001596326587 983760389 /nfs/dbraw/zinc/76/03/89/983760389.db2.gz IILRLOBRDLDONA-UHFFFAOYSA-N 0 1 380.464 3.195 20 50 GGGDMN C[N@H+]1CCN(Cc2nc(CO[Si](C)(C)C(C)(C)C)cs2)C[C@@H](C(=O)[O-])C1 ZINC001598621419 994012194 /nfs/dbraw/zinc/01/21/94/994012194.db2.gz QJQQCRDEMINSDH-AWEZNQCLSA-N 0 1 399.633 3.113 20 50 GGGDMN CCN(CCCI)[C@@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000825419127 609295625 /nfs/dbraw/zinc/29/56/25/609295625.db2.gz HUEQVYNAKTVRDR-NSHDSACASA-N 0 1 385.253 3.075 20 50 GGGDMN CC(C)C[N@@H+](CCCI)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000824255588 1446816145 /nfs/dbraw/zinc/81/61/45/1446816145.db2.gz OYNYVGNYRYJBSA-UHFFFAOYSA-N 0 1 399.280 3.150 20 50 GGGDMN CC(C)c1nc(-c2nn[nH]n2)c(NNC(=O)CCCCCc2cccs2)o1 ZINC000735939166 944719668 /nfs/dbraw/zinc/71/96/68/944719668.db2.gz KKLOFORXBLGWGW-UHFFFAOYSA-N 0 1 389.485 3.286 20 50 GGGDMN Cc1cc2cc(C(=O)NNc3oc(C(C)C)nc3-c3nn[nH]n3)oc2cc1C ZINC000822213124 945999091 /nfs/dbraw/zinc/99/90/91/945999091.db2.gz VTKSWRPHUWIMMA-UHFFFAOYSA-N 0 1 381.396 3.098 20 50 GGGDMN CC(C)(C)C[C@H](NC(=O)NN=c1ccc(-c2nn[nH]n2)c[nH]1)c1ccc(F)cc1 ZINC001573842603 950153866 /nfs/dbraw/zinc/15/38/66/950153866.db2.gz IZKYTDVQQHRNCE-HNNXBMFYSA-N 0 1 398.446 3.204 20 50 GGGDMN CC(C)(C)c1ccc(Cl)cc1NC(=O)NN=c1ccc(-c2nn[nH]n2)c[nH]1 ZINC001573882087 950769160 /nfs/dbraw/zinc/76/91/60/950769160.db2.gz RJPOFGYZMYCCRQ-UHFFFAOYSA-N 0 1 386.847 3.361 20 50 GGGDMN C[C@H](CCNC(=O)NNc1ccc(C(=O)[O-])cc1F)[N@@H+](C)Cc1ccccc1 ZINC001592522227 978380040 /nfs/dbraw/zinc/38/00/40/978380040.db2.gz YATQEXSSZNYTPN-CQSZACIVSA-N 0 1 388.443 3.061 20 50 GGGDMN O=C([O-])c1cc(OC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000740086846 978666345 /nfs/dbraw/zinc/66/63/45/978666345.db2.gz BMNKNNPOPOBYRK-OAHLLOKOSA-N 0 1 384.388 3.111 20 50 GGGDMN CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NNc2ccc(F)c(C(=O)[O-])c2)C1 ZINC001595453740 981120558 /nfs/dbraw/zinc/12/05/58/981120558.db2.gz WFPIJKUSXUKYRD-CYBMUJFWSA-N 0 1 380.464 3.051 20 50 GGGDMN C[C@@H]1C[C@@H](CCNC(=O)NNc2cccc(C(=O)[O-])c2)C[N@H+]1Cc1ccccc1 ZINC000833593837 605746619 /nfs/dbraw/zinc/74/66/19/605746619.db2.gz ZVOGSUSGSYYLIP-SJLPKXTDSA-N 0 1 396.491 3.312 20 50 GGGDMN CCC[C@@H](CC1CCCC1)C(=O)NNc1oc(C(C)C)nc1-c1nn[nH]n1 ZINC000736421929 944818375 /nfs/dbraw/zinc/81/83/75/944818375.db2.gz HAYKKBAIIGGTRK-ZDUSSCGKSA-N 0 1 375.477 3.418 20 50 GGGDMN CC(C)(C(=O)NN=c1ccc(-c2nn[nH]n2)c[nH]1)c1ccc(-c2ccccc2)cc1 ZINC001573783220 949146366 /nfs/dbraw/zinc/14/63/66/949146366.db2.gz ZEXFINOPFSFLAL-UHFFFAOYSA-N 0 1 399.458 3.350 20 50 GGGDMN C=C(CBr)C[N@H+](C)[C@H](C(=O)[O-])c1cccc(Br)c1 ZINC001588605289 983691682 /nfs/dbraw/zinc/69/16/82/983691682.db2.gz GFKBGFFHNZLUAQ-LBPRGKRZSA-N 0 1 377.076 3.458 20 50 GGGDMN CC[N@@H+](CCCNC(=O)NNc1ccc(C(=O)[O-])cc1F)C1CCCCC1 ZINC001596326417 983759973 /nfs/dbraw/zinc/75/99/73/983759973.db2.gz FSVZSCMXOGEYGK-UHFFFAOYSA-N 0 1 380.464 3.195 20 50 GGGDMN CO[C@@]1(C(=O)[O-])CC[N@H+](Cc2nc(CO[Si](C)(C)C(C)(C)C)cs2)C1 ZINC001599079184 996955336 /nfs/dbraw/zinc/95/53/36/996955336.db2.gz PTEOUUHNJLJKFV-KRWDZBQOSA-N 0 1 386.590 3.340 20 50 GGGDMN CO[C@@]1(C(=O)[O-])CC[N@@H+](Cc2nc(CO[Si](C)(C)C(C)(C)C)cs2)C1 ZINC001599079184 996955349 /nfs/dbraw/zinc/95/53/49/996955349.db2.gz PTEOUUHNJLJKFV-KRWDZBQOSA-N 0 1 386.590 3.340 20 50 GGGDMN CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NNc1cccc(C(=O)[O-])c1 ZINC001593942990 996978052 /nfs/dbraw/zinc/97/80/52/996978052.db2.gz YLSDYYJHZJENHC-IBGZPJMESA-N 0 1 396.491 3.312 20 50 GGGDMN C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)NNc3cccc(C(=O)[O-])c3)cc2)C1 ZINC001594383857 999451090 /nfs/dbraw/zinc/45/10/90/999451090.db2.gz MEHMIMFVDQCXLH-MRXNPFEDSA-N 0 1 396.491 3.443 20 50 GGGDMN O=C(NNc1ccc(-c2nn[nH]n2)cc1)c1cc(Cl)c2ccccc2c1O ZINC000826447285 607465392 /nfs/dbraw/zinc/46/53/92/607465392.db2.gz YDWKQOWAWAPVRN-UHFFFAOYSA-N 0 1 380.795 3.136 20 50 GGGDMN C[C@@H]1C[C@H](CCNC(=O)NNc2cccc(C(=O)[O-])c2)C[N@H+]1Cc1ccccc1 ZINC000833593833 605746610 /nfs/dbraw/zinc/74/66/10/605746610.db2.gz ZVOGSUSGSYYLIP-AEFFLSMTSA-N 0 1 396.491 3.312 20 50 GGGDMN CC[C@@H](CC1CCCCC1)C(=O)NNc1oc(C(C)C)nc1-c1nn[nH]n1 ZINC000736349318 944807511 /nfs/dbraw/zinc/80/75/11/944807511.db2.gz FQOLZWXSRWLFRC-ZDUSSCGKSA-N 0 1 375.477 3.418 20 50 GGGDMN CC(C)[C@H](NC(=O)C[N@@H+]1CCCC[C@H]1CO[Si](C)(C)C(C)(C)C)C(=O)[O-] ZINC001591866020 976165691 /nfs/dbraw/zinc/16/56/91/976165691.db2.gz GHGOBEHRTXLTTM-RDJZCZTQSA-N 0 1 386.609 3.088 20 50 GGGDMN CC(C)[C@H](NC(=O)C[N@H+]1CCCC[C@H]1CO[Si](C)(C)C(C)(C)C)C(=O)[O-] ZINC001591866020 976165696 /nfs/dbraw/zinc/16/56/96/976165696.db2.gz GHGOBEHRTXLTTM-RDJZCZTQSA-N 0 1 386.609 3.088 20 50 GGGDMN CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)NNc2ccc(F)c(C(=O)[O-])c2)C1 ZINC001595453742 981120496 /nfs/dbraw/zinc/12/04/96/981120496.db2.gz WFPIJKUSXUKYRD-ZDUSSCGKSA-N 0 1 380.464 3.051 20 50 GGGDMN C[N@@H+](CCI)[C@@H](C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC001598486555 992212687 /nfs/dbraw/zinc/21/26/87/992212687.db2.gz QJESVVCZVFVMLK-SNVBAGLBSA-N 0 1 388.032 3.486 20 50 GGGDMN CO[C@]1(C(=O)[O-])CC[N@H+](Cc2nc(CO[Si](C)(C)C(C)(C)C)cs2)C1 ZINC001599079186 996956042 /nfs/dbraw/zinc/95/60/42/996956042.db2.gz PTEOUUHNJLJKFV-QGZVFWFLSA-N 0 1 386.590 3.340 20 50 GGGDMN CO[C@]1(C(=O)[O-])CC[N@@H+](Cc2nc(CO[Si](C)(C)C(C)(C)C)cs2)C1 ZINC001599079186 996956056 /nfs/dbraw/zinc/95/60/56/996956056.db2.gz PTEOUUHNJLJKFV-QGZVFWFLSA-N 0 1 386.590 3.340 20 50 GGGDMN C[C@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)NNc1cccc(C(=O)[O-])c1 ZINC000833613707 605733305 /nfs/dbraw/zinc/73/33/05/605733305.db2.gz CHHJUGSNOJJAJX-INIZCTEOSA-N 0 1 397.475 3.395 20 50 GGGDMN C[C@H]1C[C@@H](NC(=O)NNc2cccc(C(=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC000833599608 605746224 /nfs/dbraw/zinc/74/62/24/605746224.db2.gz FNHVRGSTJYMHJD-YJBOKZPZSA-N 0 1 382.464 3.064 20 50 GGGDMN C[C@@H]1C[C@H](NC(=O)NNc2cccc(C(=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC000833599605 605746477 /nfs/dbraw/zinc/74/64/77/605746477.db2.gz FNHVRGSTJYMHJD-CRAIPNDOSA-N 0 1 382.464 3.064 20 50 GGGDMN C[C@@H]1C[C@@H](NC(=O)NNc2cccc(C(=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC000833599607 605746558 /nfs/dbraw/zinc/74/65/58/605746558.db2.gz FNHVRGSTJYMHJD-QAPCUYQASA-N 0 1 382.464 3.064 20 50 GGGDMN CCN(CCCI)[C@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000825419126 609295349 /nfs/dbraw/zinc/29/53/49/609295349.db2.gz HUEQVYNAKTVRDR-LLVKDONJSA-N 0 1 385.253 3.075 20 50 GGGDMN