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@H]([NH2+]C1CCC(C)([NH+](C)C)CC1)c1ccccc1[O-] ZINC000866517329 1124077541 /nfs/dbraw/zinc/07/75/41/1124077541.db2.gz GWSFOPLNHPBUEW-HQVVEAJESA-N 1 3 290.451 3.696 20 10 CHCDHO CC[C@H]([NH2+]Cc1ccc([C@H](C)[NH3+])cc1)c1ccc(C)cc1[O-] ZINC000817962360 1131192041 /nfs/dbraw/zinc/19/20/41/1131192041.db2.gz IHTHVSDIDIJAJF-KSSFIOAISA-N 1 3 298.430 3.961 20 10 CHCDHO Cc1ccc([C@@H](C)[NH2+]Cc2ccc([C@@H](C)[NH3+])cc2)c([O-])c1 ZINC000817963576 1131192249 /nfs/dbraw/zinc/19/22/49/1131192249.db2.gz UWEJPCHZQCIJGK-ZIAGYGMSSA-N 1 3 284.403 3.571 20 10 CHCDHO CC[C@@H]([NH2+]Cc1ccc([C@@H](C)[NH3+])cc1)c1ccccc1[O-] ZINC000817963553 1131193018 /nfs/dbraw/zinc/19/30/18/1131193018.db2.gz USNYMLMIDAGSLD-CXAGYDPISA-N 1 3 284.403 3.653 20 10 CHCDHO CC[C@@H]([NH2+]Cc1ccccc1C[NH2+]C)c1ccc(C)cc1[O-] ZINC000844924806 1131608558 /nfs/dbraw/zinc/60/85/58/1131608558.db2.gz QWMIWLITJZGZMW-GOSISDBHSA-N 1 3 298.430 3.661 20 10 CHCDHO CC[NH+](CC)CCC[C@H](C)[NH2+][C@H](C)c1ccc(C)cc1[O-] ZINC000020089013 520636467 /nfs/dbraw/zinc/63/64/67/520636467.db2.gz UVRRHADZJOMDIS-JKSUJKDBSA-N 1 3 292.467 3.862 20 10 CHCDHO C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@H](C)C1)c1ccccc1[O-] ZINC000183422006 1126886600 /nfs/dbraw/zinc/88/66/00/1126886600.db2.gz OATJOQRXVQDSRS-HOTGVXAUSA-N 1 3 290.451 3.555 20 10 CHCDHO C[C@H]([NH2+]CCCC[N@H+]1CCC[C@H](C)C1)c1ccccc1[O-] ZINC000183422006 1126886606 /nfs/dbraw/zinc/88/66/06/1126886606.db2.gz OATJOQRXVQDSRS-HOTGVXAUSA-N 1 3 290.451 3.555 20 10 CHCDHO CC[NH+](CC)C1CCC([NH2+][C@H](C)c2ccccc2[O-])CC1 ZINC001173103570 1132392884 /nfs/dbraw/zinc/39/28/84/1132392884.db2.gz MJMVAYZMRMRKCL-QQFBHYJXSA-N 1 3 290.451 3.696 20 10 CHCDHO C[C@@H]([NH2+]CCCCCC1CC[NH2+]CC1)c1ccccc1[O-] ZINC000925810225 1128143129 /nfs/dbraw/zinc/14/31/29/1128143129.db2.gz YBDCHEIFAVPZHN-OAHLLOKOSA-N 1 3 290.451 3.603 20 10 CHCDHO Cc1ccc(O)c([C@@H](C)[NH2+]CC[C@H](C)N2CCCCC2)c1 ZINC000186545569 1120559814 /nfs/dbraw/zinc/55/98/14/1120559814.db2.gz UGDBWVGRKXKIKR-JKSUJKDBSA-N 1 3 290.451 3.616 20 10 CHCDHO CC[C@@H]([NH2+]C1CCC([NH+](C)C)CC1)c1ccc(C)cc1[O-] ZINC000817585527 1131172734 /nfs/dbraw/zinc/17/27/34/1131172734.db2.gz GCKWITXUNZASDZ-VMBOVVBDSA-N 1 3 290.451 3.614 20 10 CHCDHO Cc1ccc([C@H](C)[NH2+]Cc2ccc([C@@H](C)[NH3+])cc2)c([O-])c1 ZINC000817963571 1131192605 /nfs/dbraw/zinc/19/26/05/1131192605.db2.gz UWEJPCHZQCIJGK-KGLIPLIRSA-N 1 3 284.403 3.571 20 10 CHCDHO Cc1cc(Cl)cc([C@H](C)[NH2+][C@H](C)CCCC[NH3+])c1[O-] ZINC000817976771 1131193901 /nfs/dbraw/zinc/19/39/01/1131193901.db2.gz SZQAWJZZCGWYBJ-NEPJUHHUSA-N 1 3 284.831 3.522 20 10 CHCDHO Cc1cc(Cl)cc([C@@H](C)[NH2+]CCC[C@H]2CCC[NH2+]2)c1[O-] ZINC000817980258 1131194583 /nfs/dbraw/zinc/19/45/83/1131194583.db2.gz KFAFMOMBGUUGNX-OCCSQVGLSA-N 1 3 296.842 3.537 20 10 CHCDHO C[C@@H]([NH2+][C@H](CCC[NH3+])c1ccccc1)c1ccccc1[O-] ZINC000817980597 1131194971 /nfs/dbraw/zinc/19/49/71/1131194971.db2.gz CLRPZOKPWADMEZ-RHSMWYFYSA-N 1 3 284.403 3.523 20 10 CHCDHO CC[C@@H]([NH2+][C@@H](CCC[NH3+])c1ccccc1)c1ccccc1[O-] ZINC000817982004 1131195599 /nfs/dbraw/zinc/19/55/99/1131195599.db2.gz ASTUGMZTYYBTFX-MSOLQXFVSA-N 1 3 298.430 3.913 20 10 CHCDHO CC[NH+](CC)CCC[C@H](C)[NH2+][C@H](C)c1ccccc1[O-] ZINC000019914963 1120549077 /nfs/dbraw/zinc/54/90/77/1120549077.db2.gz BLPJUHWMMJHFFO-LSDHHAIUSA-N 1 3 278.440 3.553 20 10 CHCDHO Cc1ccc(O)c([C@H](C)[NH2+]CC[C@@H](C)N2CCCCC2)c1 ZINC000186545549 1120559798 /nfs/dbraw/zinc/55/97/98/1120559798.db2.gz UGDBWVGRKXKIKR-CVEARBPZSA-N 1 3 290.451 3.616 20 10 CHCDHO CCN(CCC[NH2+]C1CCCCC1)Cc1ccccc1O ZINC001236043971 1130836074 /nfs/dbraw/zinc/83/60/74/1130836074.db2.gz HGZYKFXECIHHTH-UHFFFAOYSA-N 1 3 290.451 3.527 20 10 CHCDHO CC[C@@H]([NH2+][C@@H](C)CCC[NH+](CC)CC)c1ccccc1[O-] ZINC000019915162 522908524 /nfs/dbraw/zinc/90/85/24/522908524.db2.gz ANHQAURUGLRXQZ-DOTOQJQBSA-N 1 3 292.467 3.943 20 10 CHCDHO Cc1ccc([C@@H](C)[NH2+]CCCCC[NH+]2CCCC2)c([O-])c1 ZINC000293649613 1127510575 /nfs/dbraw/zinc/51/05/75/1127510575.db2.gz HTLFUFSRWOWGNS-MRXNPFEDSA-N 1 3 290.451 3.617 20 10 CHCDHO CC[NH+](CC)CCC[C@@H](C)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000019914957 1120549239 /nfs/dbraw/zinc/54/92/39/1120549239.db2.gz BLPJUHWMMJHFFO-CABCVRRESA-N 1 3 278.440 3.553 20 10 CHCDHO Cc1ccc([C@@H](C)[NH2+][C@H](CCC[NH3+])c2ccccc2)c([O-])c1 ZINC000817984546 1131195281 /nfs/dbraw/zinc/19/52/81/1131195281.db2.gz ZRUOJOJQOUZQCH-CRAIPNDOSA-N 1 3 298.430 3.831 20 10 CHCDHO CC(C)[NH+](CCCN[C@@H](C)c1ccccc1O)C(C)C ZINC000183540685 1126888759 /nfs/dbraw/zinc/88/87/59/1126888759.db2.gz PNQCOBJLDGQDKQ-HNNXBMFYSA-N 1 3 278.440 3.552 20 10 CHCDHO CCC[NH+]1CCC(C[NH2+][C@@H](CC)c2ccccc2[O-])CC1 ZINC000155667674 1128610895 /nfs/dbraw/zinc/61/08/95/1128610895.db2.gz OQNYNYVDTHUBBN-KRWDZBQOSA-N 1 3 290.451 3.555 20 10 CHCDHO CC[C@@H]([NH2+]C1CCC(C)([NH+](C)C)CC1)c1ccccc1[O-] ZINC000866517328 1124077390 /nfs/dbraw/zinc/07/73/90/1124077390.db2.gz GWSFOPLNHPBUEW-BFHRDPOASA-N 1 3 290.451 3.696 20 10 CHCDHO CC[C@@H]([NH2+][C@@H]1CC[NH2+]CC(C)(C)C1)c1ccc(C)cc1[O-] ZINC000873246436 1124754147 /nfs/dbraw/zinc/75/41/47/1124754147.db2.gz YXIQLINDHCHZBX-GDBMZVCRSA-N 1 3 290.451 3.520 20 10 CHCDHO Cc1ccc(O)c2c1[C@@H](C)C[C@H]2[NH2+]CC1(N)CCCCC1 ZINC001118059854 1131208225 /nfs/dbraw/zinc/20/82/25/1131208225.db2.gz UCMGHJNCVIVPDX-UONOGXRCSA-N 1 3 288.435 3.500 20 10 CHCDHO CC[NH+](CC)C1CCC([NH2+][C@@H](C)c2ccccc2[O-])CC1 ZINC001173103569 1132392670 /nfs/dbraw/zinc/39/26/70/1132392670.db2.gz MJMVAYZMRMRKCL-FHERZECASA-N 1 3 290.451 3.696 20 10 CHCDHO Cc1ccc([C@H](C)[NH2+]C2CCC(C)([NH+](C)C)CC2)c([O-])c1 ZINC000866517591 1124077556 /nfs/dbraw/zinc/07/75/56/1124077556.db2.gz JKBSTONDCINOLH-SYJJWHGVSA-N 1 3 290.451 3.614 20 10 CHCDHO C[C@H]([NH2+][C@H](CCC[NH3+])c1ccccc1)c1ccccc1[O-] ZINC000817980600 1131194629 /nfs/dbraw/zinc/19/46/29/1131194629.db2.gz CLRPZOKPWADMEZ-WMLDXEAASA-N 1 3 284.403 3.523 20 10 CHCDHO CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000094616662 520636704 /nfs/dbraw/zinc/63/67/04/520636704.db2.gz PGVVMQKDLSZOHM-KBPBESRZSA-N 1 3 296.430 3.692 20 10 CHCDHO CC[C@H]([NH2+]Cc1cccc(C[NH+](C)C)c1)c1ccccc1[O-] ZINC000155006172 1128612523 /nfs/dbraw/zinc/61/25/23/1128612523.db2.gz OZKXPRFPAVNSDJ-SFHVURJKSA-N 1 3 298.430 3.695 20 10 CHCDHO CC[C@H]([NH2+]Cc1ccc([C@@H](C)[NH3+])cc1)c1ccc(C)cc1[O-] ZINC000817962359 1131192644 /nfs/dbraw/zinc/19/26/44/1131192644.db2.gz IHTHVSDIDIJAJF-KDOFPFPSSA-N 1 3 298.430 3.961 20 10 CHCDHO C[C@H]([NH2+]CCCC[NH+]1CCC(C)CC1)c1ccccc1[O-] ZINC000183422605 1126887088 /nfs/dbraw/zinc/88/70/88/1126887088.db2.gz MXWXFGYUXBKZDQ-INIZCTEOSA-N 1 3 290.451 3.555 20 10 CHCDHO CC[NH+](CC)CCC[C@@H](C)[NH2+][C@H](C)c1ccc(C)cc1[O-] ZINC000020089011 520630587 /nfs/dbraw/zinc/63/05/87/520630587.db2.gz UVRRHADZJOMDIS-HZPDHXFCSA-N 1 3 292.467 3.862 20 10 CHCDHO Cc1ccc(O)c([C@H](C)[NH2+]CC[C@H](C)N2CCCCC2)c1 ZINC000186545586 1120560058 /nfs/dbraw/zinc/56/00/58/1120560058.db2.gz UGDBWVGRKXKIKR-HOTGVXAUSA-N 1 3 290.451 3.616 20 10 CHCDHO CC[C@H]([NH2+]Cc1ccc([C@@H](C)[NH3+])cc1)c1ccccc1[O-] ZINC000817963554 1131193012 /nfs/dbraw/zinc/19/30/12/1131193012.db2.gz USNYMLMIDAGSLD-DYVFJYSZSA-N 1 3 284.403 3.653 20 10 CHCDHO C[C@H]([NH2+][C@@H](CCC[NH3+])c1ccccc1)c1ccccc1[O-] ZINC000817980603 1131195443 /nfs/dbraw/zinc/19/54/43/1131195443.db2.gz CLRPZOKPWADMEZ-YOEHRIQHSA-N 1 3 284.403 3.523 20 10 CHCDHO CC[NH+](CC)Cc1ccccc1C[NH2+]Cc1ccccc1[O-] ZINC000074335594 260164988 /nfs/dbraw/zinc/16/49/88/260164988.db2.gz MZFDJSMJQIYHTI-UHFFFAOYSA-N 1 3 298.430 3.524 20 10 CHCDHO CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H](C)c1ccc(C)cc1[O-] ZINC000020089009 520637151 /nfs/dbraw/zinc/63/71/51/520637151.db2.gz UVRRHADZJOMDIS-HOTGVXAUSA-N 1 3 292.467 3.862 20 10 CHCDHO CC[N@H+](C)Cc1cccc(C[NH2+][C@@H](C)c2ccccc2[O-])c1 ZINC000183493792 1126887290 /nfs/dbraw/zinc/88/72/90/1126887290.db2.gz WMVNYGLWAVAOSI-HNNXBMFYSA-N 1 3 298.430 3.695 20 10 CHCDHO CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H](C)c2ccccc2[O-])c1 ZINC000183493792 1126887294 /nfs/dbraw/zinc/88/72/94/1126887294.db2.gz WMVNYGLWAVAOSI-HNNXBMFYSA-N 1 3 298.430 3.695 20 10 CHCDHO CC[NH+](CC)CCC[C@H](C)[N@H+](CC)Cc1ccccc1[O-] ZINC001167838913 1121042883 /nfs/dbraw/zinc/04/28/83/1121042883.db2.gz XDPOKZXVIXPMRB-INIZCTEOSA-N 1 3 292.467 3.725 20 10 CHCDHO CC[NH+](CC)CCC[C@H](C)[N@@H+](CC)Cc1ccccc1[O-] ZINC001167838913 1121042889 /nfs/dbraw/zinc/04/28/89/1121042889.db2.gz XDPOKZXVIXPMRB-INIZCTEOSA-N 1 3 292.467 3.725 20 10 CHCDHO C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1)c1ccccc1[O-] ZINC000183421991 1126886445 /nfs/dbraw/zinc/88/64/45/1126886445.db2.gz OATJOQRXVQDSRS-CVEARBPZSA-N 1 3 290.451 3.555 20 10 CHCDHO C[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H](C)C1)c1ccccc1[O-] ZINC000183421991 1126886449 /nfs/dbraw/zinc/88/64/49/1126886449.db2.gz OATJOQRXVQDSRS-CVEARBPZSA-N 1 3 290.451 3.555 20 10 CHCDHO CC(C)[NH+]1CCC(CC[NH2+][C@@H](C)c2ccccc2[O-])CC1 ZINC000866467731 1124069372 /nfs/dbraw/zinc/06/93/72/1124069372.db2.gz OPDAZYUMVOKKAJ-HNNXBMFYSA-N 1 3 290.451 3.553 20 10 CHCDHO Cc1cc(C)c([C@H](C)[NH2+]C2CCC([NH+](C)C)CC2)c([O-])c1 ZINC000817586825 1131174425 /nfs/dbraw/zinc/17/44/25/1131174425.db2.gz SQZOFCTYKSHCOF-FHERZECASA-N 1 3 290.451 3.532 20 10 CHCDHO Cc1ccc([C@H](C)[NH2+][C@H](CCC[NH3+])c2ccccc2)c([O-])c1 ZINC000817984547 1131194908 /nfs/dbraw/zinc/19/49/08/1131194908.db2.gz ZRUOJOJQOUZQCH-MAUKXSAKSA-N 1 3 298.430 3.831 20 10 CHCDHO C[C@@H]([NH2+][C@@H](CCC[NH3+])c1ccccc1)c1ccccc1[O-] ZINC000817980589 1131195527 /nfs/dbraw/zinc/19/55/27/1131195527.db2.gz CLRPZOKPWADMEZ-PBHICJAKSA-N 1 3 284.403 3.523 20 10 CHCDHO CC[C@H]([NH2+]CCCC[N@H+](C)C1CC1)c1ccc(C)cc1[O-] ZINC000834908304 1131730765 /nfs/dbraw/zinc/73/07/65/1131730765.db2.gz IBUZQWBIRDBOTG-KRWDZBQOSA-N 1 3 290.451 3.616 20 10 CHCDHO CC[C@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1ccc(C)cc1[O-] ZINC000834908304 1131730770 /nfs/dbraw/zinc/73/07/70/1131730770.db2.gz IBUZQWBIRDBOTG-KRWDZBQOSA-N 1 3 290.451 3.616 20 10 CHCDHO CC[NH+](CC)CCC[C@H](C)[NH2+][C@H](C)c1cc(C)ccc1[O-] ZINC000035628612 260030901 /nfs/dbraw/zinc/03/09/01/260030901.db2.gz UZROSPIEHKKYSY-JKSUJKDBSA-N 1 3 292.467 3.862 20 10 CHCDHO CC(C)[NH+]1CCC(CC[NH2+][C@H](C)c2ccccc2[O-])CC1 ZINC000866467732 1124069169 /nfs/dbraw/zinc/06/91/69/1124069169.db2.gz OPDAZYUMVOKKAJ-OAHLLOKOSA-N 1 3 290.451 3.553 20 10 CHCDHO CC[C@H]([NH2+][C@@H]1CC[NH2+]CC(C)(C)C1)c1ccc(C)cc1[O-] ZINC000873246439 1124754354 /nfs/dbraw/zinc/75/43/54/1124754354.db2.gz YXIQLINDHCHZBX-ZBFHGGJFSA-N 1 3 290.451 3.520 20 10 CHCDHO Cc1cc(Cl)cc([C@@H](C)[NH2+]CCC[C@@H]2CCC[NH2+]2)c1[O-] ZINC000817980259 1131195063 /nfs/dbraw/zinc/19/50/63/1131195063.db2.gz KFAFMOMBGUUGNX-TZMCWYRMSA-N 1 3 296.842 3.537 20 10 CHCDHO Cc1cc(C)c([C@@H](C)[NH2+]C2CCC([NH+](C)C)CC2)c([O-])c1 ZINC000817586831 1131174073 /nfs/dbraw/zinc/17/40/73/1131174073.db2.gz SQZOFCTYKSHCOF-QQFBHYJXSA-N 1 3 290.451 3.532 20 10 CHCDHO CC[C@@H]([NH2+]Cc1ccc([C@H](C)[NH3+])cc1)c1ccccc1[O-] ZINC000817963556 1131192513 /nfs/dbraw/zinc/19/25/13/1131192513.db2.gz USNYMLMIDAGSLD-SUMWQHHRSA-N 1 3 284.403 3.653 20 10 CHCDHO CC(C)[N@H+](C)Cc1cccc(C[NH2+]Cc2ccccc2[O-])c1 ZINC000236666607 519629453 /nfs/dbraw/zinc/62/94/53/519629453.db2.gz BJCHMRZHEIVLEW-UHFFFAOYSA-N 1 3 298.430 3.522 20 10 CHCDHO CC(C)[N@@H+](C)Cc1cccc(C[NH2+]Cc2ccccc2[O-])c1 ZINC000236666607 519629455 /nfs/dbraw/zinc/62/94/55/519629455.db2.gz BJCHMRZHEIVLEW-UHFFFAOYSA-N 1 3 298.430 3.522 20 10 CHCDHO CC[C@H]([NH2+][C@H](C)CCC[NH+](CC)CC)c1ccccc1[O-] ZINC000019915168 522731061 /nfs/dbraw/zinc/73/10/61/522731061.db2.gz ANHQAURUGLRXQZ-WBVHZDCISA-N 1 3 292.467 3.943 20 10 CHCDHO Cc1cc(Cl)cc([C@@H](C)[NH2+]CCCCCC[NH3+])c1[O-] ZINC000843341263 1132520657 /nfs/dbraw/zinc/52/06/57/1132520657.db2.gz HWURJFCJLQEYNV-GFCCVEGCSA-N 1 3 284.831 3.524 20 10 CHCDHO CCC[NH+]1CCC(C[NH2+][C@H](CC)c2ccccc2[O-])CC1 ZINC000155667788 1128610651 /nfs/dbraw/zinc/61/06/51/1128610651.db2.gz OQNYNYVDTHUBBN-QGZVFWFLSA-N 1 3 290.451 3.555 20 10 CHCDHO Cc1cc(Cl)cc([C@H](C)[NH2+]CCC[C@@H]2CCC[NH2+]2)c1[O-] ZINC000817980251 1131194618 /nfs/dbraw/zinc/19/46/18/1131194618.db2.gz KFAFMOMBGUUGNX-GXTWGEPZSA-N 1 3 296.842 3.537 20 10 CHCDHO CC(C)[NH+](CCCN[C@H](C)c1ccccc1O)C(C)C ZINC000183540701 1126888476 /nfs/dbraw/zinc/88/84/76/1126888476.db2.gz PNQCOBJLDGQDKQ-OAHLLOKOSA-N 1 3 278.440 3.552 20 10 CHCDHO Cc1ccc([C@H](C)[NH2+]CCCCC[NH+]2CCCC2)c([O-])c1 ZINC000293649610 1127510514 /nfs/dbraw/zinc/51/05/14/1127510514.db2.gz HTLFUFSRWOWGNS-INIZCTEOSA-N 1 3 290.451 3.617 20 10 CHCDHO C[C@H]([NH2+]CCCCCC1CC[NH2+]CC1)c1ccccc1[O-] ZINC000925810223 1128143405 /nfs/dbraw/zinc/14/34/05/1128143405.db2.gz YBDCHEIFAVPZHN-HNNXBMFYSA-N 1 3 290.451 3.603 20 10 CHCDHO Cc1cc(Cl)cc([C@@H](C)[NH2+][C@@H](C)CCCC[NH3+])c1[O-] ZINC000817976772 1131194048 /nfs/dbraw/zinc/19/40/48/1131194048.db2.gz SZQAWJZZCGWYBJ-NWDGAFQWSA-N 1 3 284.831 3.522 20 10 CHCDHO CC[NH+](CC)CCC[C@H](C)[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000094616664 520636801 /nfs/dbraw/zinc/63/68/01/520636801.db2.gz PGVVMQKDLSZOHM-UONOGXRCSA-N 1 3 296.430 3.692 20 10 CHCDHO C[C@H]([NH2+]CCCC[N@@H+]1CCCC[C@H]1C)c1ccccc1[O-] ZINC000183421708 1126886687 /nfs/dbraw/zinc/88/66/87/1126886687.db2.gz HMUHRVRVRNOJNO-CVEARBPZSA-N 1 3 290.451 3.697 20 10 CHCDHO C[C@H]([NH2+]CCCC[N@H+]1CCCC[C@H]1C)c1ccccc1[O-] ZINC000183421708 1126886691 /nfs/dbraw/zinc/88/66/91/1126886691.db2.gz HMUHRVRVRNOJNO-CVEARBPZSA-N 1 3 290.451 3.697 20 10 CHCDHO Cc1ccc([C@@H](C)[NH2+]C2CCC(C)([NH+](C)C)CC2)c([O-])c1 ZINC000866517590 1124077450 /nfs/dbraw/zinc/07/74/50/1124077450.db2.gz JKBSTONDCINOLH-KSTDHSDQSA-N 1 3 290.451 3.614 20 10 CHCDHO CC[C@H]([NH2+][C@@H](CCC[NH3+])c1ccccc1)c1ccccc1[O-] ZINC000817982010 1131195628 /nfs/dbraw/zinc/19/56/28/1131195628.db2.gz ASTUGMZTYYBTFX-ROUUACIJSA-N 1 3 298.430 3.913 20 10 CHCDHO CC[C@H]([NH2+]Cc1ccccc1C[NH2+]C)c1ccc(C)cc1[O-] ZINC000844924808 1131608051 /nfs/dbraw/zinc/60/80/51/1131608051.db2.gz QWMIWLITJZGZMW-SFHVURJKSA-N 1 3 298.430 3.661 20 10 CHCDHO CC[C@@H]([NH2+][C@H]1CC[NH2+]CC(C)(C)C1)c1ccc(C)cc1[O-] ZINC000873246437 1124754306 /nfs/dbraw/zinc/75/43/06/1124754306.db2.gz YXIQLINDHCHZBX-GOEBONIOSA-N 1 3 290.451 3.520 20 10 CHCDHO Cc1ccc([C@H](C)[NH2+]Cc2ccc([C@H](C)[NH3+])cc2)c([O-])c1 ZINC000817963569 1131192124 /nfs/dbraw/zinc/19/21/24/1131192124.db2.gz UWEJPCHZQCIJGK-KBPBESRZSA-N 1 3 284.403 3.571 20 10 CHCDHO CC[NH+](CC)Cc1ccc(C[NH2+]Cc2ccccc2[O-])cc1 ZINC000074336674 260165659 /nfs/dbraw/zinc/16/56/59/260165659.db2.gz ZOMZFQDVMDRLQV-UHFFFAOYSA-N 1 3 298.430 3.524 20 10 CHCDHO CC[NH+](CC)CCC[C@@H](C)[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000094616663 520631187 /nfs/dbraw/zinc/63/11/87/520631187.db2.gz PGVVMQKDLSZOHM-ZIAGYGMSSA-N 1 3 296.430 3.692 20 10 CHCDHO CC[NH+](CC)CCC[C@@H](C)[NH2+][C@H](C)c1ccccc1[O-] ZINC000019914961 1120549508 /nfs/dbraw/zinc/54/95/08/1120549508.db2.gz BLPJUHWMMJHFFO-HUUCEWRRSA-N 1 3 278.440 3.553 20 10 CHCDHO C[C@H]([NH2+]CCCC[N@@H+]1CCCC[C@@H]1C)c1ccccc1[O-] ZINC000183421723 1126886829 /nfs/dbraw/zinc/88/68/29/1126886829.db2.gz HMUHRVRVRNOJNO-HOTGVXAUSA-N 1 3 290.451 3.697 20 10 CHCDHO C[C@H]([NH2+]CCCC[N@H+]1CCCC[C@@H]1C)c1ccccc1[O-] ZINC000183421723 1126886834 /nfs/dbraw/zinc/88/68/34/1126886834.db2.gz HMUHRVRVRNOJNO-HOTGVXAUSA-N 1 3 290.451 3.697 20 10 CHCDHO CC[N@H+](C)Cc1cccc(C[NH2+][C@H](C)c2ccccc2[O-])c1 ZINC000183493811 1126887720 /nfs/dbraw/zinc/88/77/20/1126887720.db2.gz WMVNYGLWAVAOSI-OAHLLOKOSA-N 1 3 298.430 3.695 20 10 CHCDHO CC[N@@H+](C)Cc1cccc(C[NH2+][C@H](C)c2ccccc2[O-])c1 ZINC000183493811 1126887724 /nfs/dbraw/zinc/88/77/24/1126887724.db2.gz WMVNYGLWAVAOSI-OAHLLOKOSA-N 1 3 298.430 3.695 20 10 CHCDHO CC[C@@H]([NH2+]Cc1cccc(C[NH+](C)C)c1)c1ccccc1[O-] ZINC000155006279 1128612513 /nfs/dbraw/zinc/61/25/13/1128612513.db2.gz OZKXPRFPAVNSDJ-GOSISDBHSA-N 1 3 298.430 3.695 20 10 CHCDHO CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000019914959 1120548655 /nfs/dbraw/zinc/54/86/55/1120548655.db2.gz BLPJUHWMMJHFFO-GJZGRUSLSA-N 1 3 278.440 3.553 20 10 CHCDHO Cc1ccc([C@@H](C)[NH2+][C@@H](CCC[NH3+])c2ccccc2)c([O-])c1 ZINC000817984548 1131195189 /nfs/dbraw/zinc/19/51/89/1131195189.db2.gz ZRUOJOJQOUZQCH-QAPCUYQASA-N 1 3 298.430 3.831 20 10 CHCDHO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+]CC1(N)CCCCC1 ZINC001118059852 1131208447 /nfs/dbraw/zinc/20/84/47/1131208447.db2.gz UCMGHJNCVIVPDX-KGLIPLIRSA-N 1 3 288.435 3.500 20 10 CHCDHO CC[NH+](CC)CCC[C@@H](C)[NH2+][C@@H](C)c1cc(C)ccc1[O-] ZINC000035628609 260030768 /nfs/dbraw/zinc/03/07/68/260030768.db2.gz UZROSPIEHKKYSY-CVEARBPZSA-N 1 3 292.467 3.862 20 10 CHCDHO C[C@@H]([NH2+]CCCC[NH+]1CCC(C)CC1)c1ccccc1[O-] ZINC000183422620 1126886995 /nfs/dbraw/zinc/88/69/95/1126886995.db2.gz MXWXFGYUXBKZDQ-MRXNPFEDSA-N 1 3 290.451 3.555 20 10 CHCDHO Cc1ccc([C@@H](C)NCCC[NH+](C(C)C)C(C)C)c(O)c1 ZINC000185626887 1117859108 /nfs/dbraw/zinc/85/91/08/1117859108.db2.gz ZJJKXJUSGWYWTD-MRXNPFEDSA-N 1 3 292.467 3.860 20 10 CHCDHO CC[C@H]([NH2+]C[C@H]1CC[C@H](C[NH3+])CC1)c1ccc(C)cc1[O-] ZINC000817975961 1131194158 /nfs/dbraw/zinc/19/41/58/1131194158.db2.gz RRCGGHZUXHFRIE-ZOBUZTSGSA-N 1 3 290.451 3.506 20 10 CHCDHO CC[NH+](CC)CCC[C@H](C)[NH2+][C@@H](C)c1cc(C)ccc1[O-] ZINC000035628610 260031014 /nfs/dbraw/zinc/03/10/14/260031014.db2.gz UZROSPIEHKKYSY-HOTGVXAUSA-N 1 3 292.467 3.862 20 10 CHCDHO CC[C@@H]([NH2+]CCCCC[NH+]1CCCC1)c1ccccc1[O-] ZINC000293676921 1127512085 /nfs/dbraw/zinc/51/20/85/1127512085.db2.gz KAWATXPCOJWNRZ-QGZVFWFLSA-N 1 3 290.451 3.699 20 10 CHCDHO CC[C@H]([NH2+]CCCCC[NH+]1CCCC1)c1ccccc1[O-] ZINC000293676918 1127512162 /nfs/dbraw/zinc/51/21/62/1127512162.db2.gz KAWATXPCOJWNRZ-KRWDZBQOSA-N 1 3 290.451 3.699 20 10 CHCDHO Cc1cc(Cl)cc([C@H](C)[NH2+]CCC[C@H]2CCC[NH2+]2)c1[O-] ZINC000817980256 1131195271 /nfs/dbraw/zinc/19/52/71/1131195271.db2.gz KFAFMOMBGUUGNX-JSGCOSHPSA-N 1 3 296.842 3.537 20 10 CHCDHO C[C@H]([NH2+]CCCCC[NH+]1CCCCC1)c1ccccc1[O-] ZINC000179879867 1126835507 /nfs/dbraw/zinc/83/55/07/1126835507.db2.gz KZPQRQTUINSITK-INIZCTEOSA-N 1 3 290.451 3.699 20 10 CHCDHO Cc1ccc([C@H](C)NCCC[NH+](C(C)C)C(C)C)c(O)c1 ZINC000185626909 1120380965 /nfs/dbraw/zinc/38/09/65/1120380965.db2.gz ZJJKXJUSGWYWTD-INIZCTEOSA-N 1 3 292.467 3.860 20 10 CHCDHO CC[C@@H]([NH2+]Cc1ccc([C@H](C)[NH3+])cc1)c1ccc(C)cc1[O-] ZINC000817962358 1131192044 /nfs/dbraw/zinc/19/20/44/1131192044.db2.gz IHTHVSDIDIJAJF-KBXCAEBGSA-N 1 3 298.430 3.961 20 10 CHCDHO CC[C@@H]([NH2+]Cc1ccc([C@@H](C)[NH3+])cc1)c1ccc(C)cc1[O-] ZINC000817962361 1131193070 /nfs/dbraw/zinc/19/30/70/1131193070.db2.gz IHTHVSDIDIJAJF-RDTXWAMCSA-N 1 3 298.430 3.961 20 10 CHCDHO CC[C@H]([NH2+]CCC1CC[NH+](CC)CC1)c1ccccc1[O-] ZINC000156051639 261112398 /nfs/dbraw/zinc/11/23/98/261112398.db2.gz MIZMESVGSFEMOF-KRWDZBQOSA-N 1 3 290.451 3.555 20 10 CHCDHO CC[C@H]([NH2+]C1CCC([NH+](C)C)CC1)c1ccc(C)cc1[O-] ZINC000817585526 1131172597 /nfs/dbraw/zinc/17/25/97/1131172597.db2.gz GCKWITXUNZASDZ-DQPZFDDXSA-N 1 3 290.451 3.614 20 10 CHCDHO Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H](C)CCCC[NH3+])c1[O-] ZINC000817976773 1131193582 /nfs/dbraw/zinc/19/35/82/1131193582.db2.gz SZQAWJZZCGWYBJ-RYUDHWBXSA-N 1 3 284.831 3.522 20 10 CHCDHO Cc1ccc([C@H](C)[NH2+][C@@H](CCC[NH3+])c2ccccc2)c([O-])c1 ZINC000817984549 1131195069 /nfs/dbraw/zinc/19/50/69/1131195069.db2.gz ZRUOJOJQOUZQCH-YJBOKZPZSA-N 1 3 298.430 3.831 20 10 CHCDHO CC[NH+](CC)CCC[C@@H](C)[NH2+][C@@H](C)c1ccc(C)cc1[O-] ZINC000020089007 520631645 /nfs/dbraw/zinc/63/16/45/520631645.db2.gz UVRRHADZJOMDIS-CVEARBPZSA-N 1 3 292.467 3.862 20 10 CHCDHO CC[C@@H]([NH2+]CCC1CC[NH+](CC)CC1)c1ccccc1[O-] ZINC000156051762 261112538 /nfs/dbraw/zinc/11/25/38/261112538.db2.gz MIZMESVGSFEMOF-QGZVFWFLSA-N 1 3 290.451 3.555 20 10 CHCDHO CC[NH+](CC)CCC[C@@H](C)[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000094616661 520632060 /nfs/dbraw/zinc/63/20/60/520632060.db2.gz PGVVMQKDLSZOHM-KGLIPLIRSA-N 1 3 296.430 3.692 20 10 CHCDHO CC[C@H]([NH2+][C@@H](C)CCC[NH+](CC)CC)c1ccccc1[O-] ZINC000019915164 522686953 /nfs/dbraw/zinc/68/69/53/522686953.db2.gz ANHQAURUGLRXQZ-RDJZCZTQSA-N 1 3 292.467 3.943 20 10 CHCDHO Cc1cc(Cl)cc([C@H](C)[NH2+]CCCCCC[NH3+])c1[O-] ZINC000843341265 1132520486 /nfs/dbraw/zinc/52/04/86/1132520486.db2.gz HWURJFCJLQEYNV-LBPRGKRZSA-N 1 3 284.831 3.524 20 10 CHCDHO Cc1cc(Cl)cc([C@@H](C)[NH2+][C@H](C)CCCC[NH3+])c1[O-] ZINC000817976774 1131194016 /nfs/dbraw/zinc/19/40/16/1131194016.db2.gz SZQAWJZZCGWYBJ-VXGBXAGGSA-N 1 3 284.831 3.522 20 10 CHCDHO CC[C@@H]([NH2+][C@H](CCC[NH3+])c1ccccc1)c1ccccc1[O-] ZINC000817982008 1131195417 /nfs/dbraw/zinc/19/54/17/1131195417.db2.gz ASTUGMZTYYBTFX-QZTJIDSGSA-N 1 3 298.430 3.913 20 10 CHCDHO C[C@@H]([NH2+]CCCCC[NH+]1CCCCC1)c1ccccc1[O-] ZINC000179879878 261822438 /nfs/dbraw/zinc/82/24/38/261822438.db2.gz KZPQRQTUINSITK-MRXNPFEDSA-N 1 3 290.451 3.699 20 10 CHCDHO Cc1ccc(O)c([C@@H](C)[NH2+]CC[C@@H](C)N2CCCCC2)c1 ZINC000186545534 1120559513 /nfs/dbraw/zinc/55/95/13/1120559513.db2.gz UGDBWVGRKXKIKR-HZPDHXFCSA-N 1 3 290.451 3.616 20 10 CHCDHO CC[C@H]([NH2+][C@H]1CC[NH2+]CC(C)(C)C1)c1ccc(C)cc1[O-] ZINC000873246438 1124754771 /nfs/dbraw/zinc/75/47/71/1124754771.db2.gz YXIQLINDHCHZBX-HOCLYGCPSA-N 1 3 290.451 3.520 20 10 CHCDHO CC[C@H]([NH2+][C@H](CCC[NH3+])c1ccccc1)c1ccccc1[O-] ZINC000817982012 1131194857 /nfs/dbraw/zinc/19/48/57/1131194857.db2.gz ASTUGMZTYYBTFX-ZWKOTPCHSA-N 1 3 298.430 3.913 20 10 CHCDHO CC[C@@H]([NH2+][C@H](C)CCC[NH+](CC)CC)c1ccccc1[O-] ZINC000019915166 522934225 /nfs/dbraw/zinc/93/42/25/522934225.db2.gz ANHQAURUGLRXQZ-NVXWUHKLSA-N 1 3 292.467 3.943 20 10 CHCDHO Cc1cc(Cl)cc(C[NH2+]C(C)(C)CCC[NH+](C)C)c1[O-] ZINC000824914313 1131488160 /nfs/dbraw/zinc/48/81/60/1131488160.db2.gz PCOGMWHPHJHKAF-UHFFFAOYSA-N 1 3 298.858 3.564 20 10 CHCDHO Cc1ccc([C@@H](C)[NH2+]Cc2ccc([C@H](C)[NH3+])cc2)c([O-])c1 ZINC000817963573 1131192960 /nfs/dbraw/zinc/19/29/60/1131192960.db2.gz UWEJPCHZQCIJGK-UONOGXRCSA-N 1 3 284.403 3.571 20 10 CHCDHO CC[C@@H]([NH2+]C[C@H]1CC[C@H](C[NH3+])CC1)c1ccc(C)cc1[O-] ZINC000817975960 1131194217 /nfs/dbraw/zinc/19/42/17/1131194217.db2.gz RRCGGHZUXHFRIE-BFYDXBDKSA-N 1 3 290.451 3.506 20 10 CHCDHO Cc1ccc(O)c2c1[C@@H](C)C[C@@H]2[NH2+]CC1(N)CCCCC1 ZINC001118059850 1131208178 /nfs/dbraw/zinc/20/81/78/1131208178.db2.gz UCMGHJNCVIVPDX-KBPBESRZSA-N 1 3 288.435 3.500 20 10 CHCDHO CC[C@@H]([NH2+]CCCC[N@H+](C)C1CC1)c1ccc(C)cc1[O-] ZINC000834908305 1131729812 /nfs/dbraw/zinc/72/98/12/1131729812.db2.gz IBUZQWBIRDBOTG-QGZVFWFLSA-N 1 3 290.451 3.616 20 10 CHCDHO CC[C@@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1ccc(C)cc1[O-] ZINC000834908305 1131729816 /nfs/dbraw/zinc/72/98/16/1131729816.db2.gz IBUZQWBIRDBOTG-QGZVFWFLSA-N 1 3 290.451 3.616 20 10 CHCDHO CC[NH+](CC)CC[C@H](C)NCc1cc(C(C)C)ccc1O ZINC001207862235 1133854274 /nfs/dbraw/zinc/85/42/74/1133854274.db2.gz URDGURBAMIXSDH-HNNXBMFYSA-N 1 3 292.467 3.726 20 10 CHCDHO CC[NH+](CC)CC[C@@H](C)NCc1cc(C(C)C)ccc1O ZINC001207862237 1133854915 /nfs/dbraw/zinc/85/49/15/1133854915.db2.gz URDGURBAMIXSDH-OAHLLOKOSA-N 1 3 292.467 3.726 20 10 CHCDHO CC[NH+](CC)CCC[C@@H](C)[N@H+](CC)Cc1ccccc1[O-] ZINC001167838924 1121041742 /nfs/dbraw/zinc/04/17/42/1121041742.db2.gz XDPOKZXVIXPMRB-MRXNPFEDSA-N 1 3 292.467 3.725 20 10 CHCDHO CC[NH+](CC)CCC[C@@H](C)[N@@H+](CC)Cc1ccccc1[O-] ZINC001167838924 1121041744 /nfs/dbraw/zinc/04/17/44/1121041744.db2.gz XDPOKZXVIXPMRB-MRXNPFEDSA-N 1 3 292.467 3.725 20 10 CHCDHO CC[C@H]([NH2+]Cc1ccc([C@H](C)[NH3+])cc1)c1ccccc1[O-] ZINC000817963555 1131192092 /nfs/dbraw/zinc/19/20/92/1131192092.db2.gz USNYMLMIDAGSLD-GUYCJALGSA-N 1 3 284.403 3.653 20 10 CHCDHO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+]CC1(N)CCCCC1 ZINC001118059857 1131208080 /nfs/dbraw/zinc/20/80/80/1131208080.db2.gz UCMGHJNCVIVPDX-ZIAGYGMSSA-N 1 3 288.435 3.500 20 10 CHCDHO CC[NH+](CC)CCC[C@@H](C)[NH2+][C@H](C)c1cc(C)ccc1[O-] ZINC000035628611 260030658 /nfs/dbraw/zinc/03/06/58/260030658.db2.gz UZROSPIEHKKYSY-HZPDHXFCSA-N 1 3 292.467 3.862 20 10 CHCDHO