smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCN(C)c1ccc([C@@H](C)[NH2+]C2CCN(C3CCCC3)CC2)cc1 ZINC000160466066 1021881249 /nfs/dbraw/zinc/88/12/49/1021881249.db2.gz MBSSXGOAINIPQT-QGZVFWFLSA-N 1 3 329.532 4.200 20 10 EICDHO CC[NH+](CC)Cc1ccccc1C[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000176981398 1022860234 /nfs/dbraw/zinc/86/02/34/1022860234.db2.gz OXGZZNKPZZAIQA-HNNXBMFYSA-N 1 3 330.447 4.224 20 10 EICDHO CCC[N@@H+]1CC[C@H](CN[C@@H](C)c2ccc(N3CCCCC3)cc2)C1 ZINC000151094744 1038667263 /nfs/dbraw/zinc/66/72/63/1038667263.db2.gz MVVNZLXQXFFABM-RBUKOAKNSA-N 1 3 329.532 4.059 20 10 EICDHO CCC[N@H+]1CC[C@H](CN[C@@H](C)c2ccc(N3CCCCC3)cc2)C1 ZINC000151094744 1038667272 /nfs/dbraw/zinc/66/72/72/1038667272.db2.gz MVVNZLXQXFFABM-RBUKOAKNSA-N 1 3 329.532 4.059 20 10 EICDHO C[C@H](N[C@@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(N2CCCCCC2)cc1 ZINC000766165091 1045003553 /nfs/dbraw/zinc/00/35/53/1045003553.db2.gz CKWQLXHBBDBKEW-WSTZPKSXSA-N 1 3 329.532 4.200 20 10 EICDHO C[C@H](N[C@@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(N2CCCCCC2)cc1 ZINC000766165091 1045003555 /nfs/dbraw/zinc/00/35/55/1045003555.db2.gz CKWQLXHBBDBKEW-WSTZPKSXSA-N 1 3 329.532 4.200 20 10 EICDHO CC[C@H]([NH2+]C1CCN(C(C)C)CC1)c1ccc(C(F)(F)F)cc1O ZINC000810223610 1048692344 /nfs/dbraw/zinc/69/23/44/1048692344.db2.gz OKHYZPNUUDEXOA-INIZCTEOSA-N 1 3 344.421 4.325 20 10 EICDHO [O-]c1ccccc1[C@@H](CCc1ccccc1)[NH2+]CCC[C@H]1CCC[NH2+]1 ZINC000817982177 1049077925 /nfs/dbraw/zinc/07/79/25/1049077925.db2.gz ZAPNKWYWRHCGQK-TZIWHRDSSA-N 1 3 338.495 4.188 20 10 EICDHO CC(C)[NH+]1CCC(N[C@H](C)c2ccc(N3CCCCC3)cc2)CC1 ZINC000180403683 1022636744 /nfs/dbraw/zinc/63/67/44/1022636744.db2.gz RJANWXPUFFNJLK-GOSISDBHSA-N 1 3 329.532 4.200 20 10 EICDHO CC[NH+](CC)Cc1ccccc1C[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000176981411 1030823499 /nfs/dbraw/zinc/82/34/99/1030823499.db2.gz OXGZZNKPZZAIQA-OAHLLOKOSA-N 1 3 330.447 4.224 20 10 EICDHO CC(C)[N@H+](C)Cc1cccc(CNCc2ccc(N(C)C)c(F)c2)c1 ZINC000733325739 1044189072 /nfs/dbraw/zinc/18/90/72/1044189072.db2.gz RDTHCRRFHNSCDR-UHFFFAOYSA-N 1 3 343.490 4.022 20 10 EICDHO CC(C)[N@@H+](C)Cc1cccc(CNCc2ccc(N(C)C)c(F)c2)c1 ZINC000733325739 1044189097 /nfs/dbraw/zinc/18/90/97/1044189097.db2.gz RDTHCRRFHNSCDR-UHFFFAOYSA-N 1 3 343.490 4.022 20 10 EICDHO Cc1cc(Cl)cc([C@H](C)[NH2+][C@H](CCC[NH3+])c2ccccc2)c1[O-] ZINC000817984407 1049080213 /nfs/dbraw/zinc/08/02/13/1049080213.db2.gz XUYHSHCXQQEQJJ-KBXCAEBGSA-N 1 3 332.875 4.485 20 10 EICDHO CC[C@@H](NC[C@@H]1CCC[N@H+](CC(C)C)C1)c1ccc(N(C)C)cc1 ZINC000773074653 1049564968 /nfs/dbraw/zinc/56/49/68/1049564968.db2.gz GYQNUYMWLKFRTM-GHTZIAJQSA-N 1 3 331.548 4.161 20 10 EICDHO CC[C@@H](NC[C@@H]1CCC[N@@H+](CC(C)C)C1)c1ccc(N(C)C)cc1 ZINC000773074653 1049564981 /nfs/dbraw/zinc/56/49/81/1049564981.db2.gz GYQNUYMWLKFRTM-GHTZIAJQSA-N 1 3 331.548 4.161 20 10 EICDHO Cc1c2ccccc2n(C)c1CNC1CC[NH+](Cc2ccccc2)CC1 ZINC000387870279 1022839072 /nfs/dbraw/zinc/83/90/72/1022839072.db2.gz QTAVCEZNGBNNNH-UHFFFAOYSA-N 1 3 347.506 4.241 20 10 EICDHO C[C@@H]([NH2+]Cc1cccc(C[NH+]2CCC(C)CC2)c1)c1ccccc1[O-] ZINC000183495362 1022865921 /nfs/dbraw/zinc/86/59/21/1022865921.db2.gz RAJSCSIKNJWYTL-GOSISDBHSA-N 1 3 338.495 4.475 20 10 EICDHO Cc1ccc([C@H](C)[NH2+]CC2CC[NH+](Cc3cccs3)CC2)c([O-])c1 ZINC000185241537 1023023152 /nfs/dbraw/zinc/02/31/52/1023023152.db2.gz IZDKKQCRJWTJHX-INIZCTEOSA-N 1 3 344.524 4.325 20 10 EICDHO C[C@H](N[C@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(N2CCCCCC2)cc1 ZINC000766165089 1045004934 /nfs/dbraw/zinc/00/49/34/1045004934.db2.gz CKWQLXHBBDBKEW-HBFSDRIKSA-N 1 3 329.532 4.200 20 10 EICDHO C[C@H](N[C@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(N2CCCCCC2)cc1 ZINC000766165089 1045004944 /nfs/dbraw/zinc/00/49/44/1045004944.db2.gz CKWQLXHBBDBKEW-HBFSDRIKSA-N 1 3 329.532 4.200 20 10 EICDHO CCCN(CCC)c1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)N3C)cc1 ZINC000824989040 1048016066 /nfs/dbraw/zinc/01/60/66/1048016066.db2.gz YKOSDSNZMHTKRY-VCSGRIEYSA-N 1 3 329.532 4.028 20 10 EICDHO C[C@@H]1C[C@H]([NH2+][C@@H](CCC[NH3+])c2ccccc2)c2c1c(F)ccc2[O-] ZINC000817983247 1049076445 /nfs/dbraw/zinc/07/64/45/1049076445.db2.gz LDEPXRPLZWKFTG-COXVUDFISA-N 1 3 328.431 4.149 20 10 EICDHO C[C@H]([NH2+]Cc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1)c1ccccc1[O-] ZINC000183418604 1051116355 /nfs/dbraw/zinc/11/63/55/1051116355.db2.gz GEBHYSDCBKLJKL-ROUUACIJSA-N 1 3 338.495 4.475 20 10 EICDHO C[C@H]([NH2+]Cc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1)c1ccccc1[O-] ZINC000183418604 1051116364 /nfs/dbraw/zinc/11/63/64/1051116364.db2.gz GEBHYSDCBKLJKL-ROUUACIJSA-N 1 3 338.495 4.475 20 10 EICDHO CC[NH+](CC)Cc1cccc(C[NH2+][C@@H](C)c2ccc(C)cc2[O-])c1 ZINC000185062275 1052388838 /nfs/dbraw/zinc/38/88/38/1052388838.db2.gz OISOSOLMZXNKFZ-KRWDZBQOSA-N 1 3 326.484 4.393 20 10 EICDHO CCN1CC[C@@H](C[NH2+][C@@H](C)c2ccc(N3CCCCCC3)cc2)C1 ZINC000163281469 1029986545 /nfs/dbraw/zinc/98/65/45/1029986545.db2.gz PYDNASLGUYXKOY-OALUTQOASA-N 1 3 329.532 4.059 20 10 EICDHO CC[N@@H+]1CC[C@@H](CN[C@@H](C)c2ccc(N3CCCCCC3)cc2)C1 ZINC000163281469 1029986558 /nfs/dbraw/zinc/98/65/58/1029986558.db2.gz PYDNASLGUYXKOY-OALUTQOASA-N 1 3 329.532 4.059 20 10 EICDHO CC[N@H+]1CC[C@@H](CN[C@@H](C)c2ccc(N3CCCCCC3)cc2)C1 ZINC000163281469 1029986568 /nfs/dbraw/zinc/98/65/68/1029986568.db2.gz PYDNASLGUYXKOY-OALUTQOASA-N 1 3 329.532 4.059 20 10 EICDHO C[C@@H](NC[C@H]([NH3+])c1ccc(N(C)C)cc1)c1cc2ccccc2s1 ZINC000817939948 1049060782 /nfs/dbraw/zinc/06/07/82/1049060782.db2.gz DLJKWOWCCUKLSL-KDOFPFPSSA-N 1 3 339.508 4.318 20 10 EICDHO C[C@H](N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)c1ccc(N(C)C)cc1 ZINC000183187028 1051015606 /nfs/dbraw/zinc/01/56/06/1051015606.db2.gz IEMXTAZIBGKHOU-JENIJYKNSA-N 1 3 329.532 4.056 20 10 EICDHO C[C@H](N[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)c1ccc(N(C)C)cc1 ZINC000183187028 1051015624 /nfs/dbraw/zinc/01/56/24/1051015624.db2.gz IEMXTAZIBGKHOU-JENIJYKNSA-N 1 3 329.532 4.056 20 10 EICDHO Cc1ccc([C@H](C)[NH2+]C2CCC([NH+]3CCC(C)CC3)CC2)c([O-])c1 ZINC000186165090 1054057166 /nfs/dbraw/zinc/05/71/66/1054057166.db2.gz BXAKIFSGBYPJEA-VIQWUECVSA-N 1 3 330.516 4.394 20 10 EICDHO C[C@H]1C[C@@H](NCc2ccc(N(C)C3CCCCC3)cc2)CC[N@@H+]1C ZINC000765446018 1053550747 /nfs/dbraw/zinc/55/07/47/1053550747.db2.gz PEYOMIRFWBLMGB-HKUYNNGSSA-N 1 3 329.532 4.028 20 10 EICDHO C[C@H]1C[C@@H](NCc2ccc(N(C)C3CCCCC3)cc2)CC[N@H+]1C ZINC000765446018 1053550765 /nfs/dbraw/zinc/55/07/65/1053550765.db2.gz PEYOMIRFWBLMGB-HKUYNNGSSA-N 1 3 329.532 4.028 20 10 EICDHO C[C@@H](N[C@@H](C)c1ccc(N(C)C)cc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000183187061 1022850301 /nfs/dbraw/zinc/85/03/01/1022850301.db2.gz IEMXTAZIBGKHOU-YQVWRLOYSA-N 1 3 329.532 4.056 20 10 EICDHO C[C@@H](N[C@@H](C)c1ccc(N(C)C)cc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000183187061 1022850302 /nfs/dbraw/zinc/85/03/02/1022850302.db2.gz IEMXTAZIBGKHOU-YQVWRLOYSA-N 1 3 329.532 4.056 20 10 EICDHO Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H](CCC[NH3+])c2ccccc2)c1[O-] ZINC000817984414 1049079972 /nfs/dbraw/zinc/07/99/72/1049079972.db2.gz XUYHSHCXQQEQJJ-KSSFIOAISA-N 1 3 332.875 4.485 20 10 EICDHO CC[N@H+](Cc1ccc(N(C)C)cc1)C1CC(C)(C)N(C)C(C)(C)C1 ZINC001171641290 1049780009 /nfs/dbraw/zinc/78/00/09/1049780009.db2.gz ODWQWUMBFDCPML-UHFFFAOYSA-N 1 3 331.548 4.226 20 10 EICDHO CC[N@@H+](Cc1ccc(N(C)C)cc1)C1CC(C)(C)N(C)C(C)(C)C1 ZINC001171641290 1049780013 /nfs/dbraw/zinc/78/00/13/1049780013.db2.gz ODWQWUMBFDCPML-UHFFFAOYSA-N 1 3 331.548 4.226 20 10 EICDHO CCN(Cc1ccc(N(C)C)cc1)C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171641290 1049780016 /nfs/dbraw/zinc/78/00/16/1049780016.db2.gz ODWQWUMBFDCPML-UHFFFAOYSA-N 1 3 331.548 4.226 20 10 EICDHO Cc1ccc(O)c(C[NH2+]C[C@@H]2CCCCN(Cc3ccccc3)C2)c1 ZINC000311203216 1023002026 /nfs/dbraw/zinc/00/20/26/1023002026.db2.gz ILHRHRSHLCMULY-FQEVSTJZSA-N 1 3 338.495 4.093 20 10 EICDHO [O-]c1ccccc1[C@H](CCc1ccccc1)[NH2+]CCC1CC[NH2+]CC1 ZINC000844926555 1048548963 /nfs/dbraw/zinc/54/89/63/1048548963.db2.gz WIXBJNUQLPUJOQ-NRFANRHFSA-N 1 3 338.495 4.045 20 10 EICDHO C[C@H](CCCC[NH3+])[NH2+][C@@H](CCc1ccccc1)c1ccccc1[O-] ZINC000817975746 1049075570 /nfs/dbraw/zinc/07/55/70/1049075570.db2.gz ATWCWMBUVCBNTO-XLIONFOSSA-N 1 3 326.484 4.173 20 10 EICDHO CC[N@@H+]1CC[C@@H](N(C)Cc2ccc(N3CCCCC3)c(C)c2)C[C@@H]1C ZINC001191418185 1051453149 /nfs/dbraw/zinc/45/31/49/1051453149.db2.gz SDYYPGLDVCZTJY-PZJWPPBQSA-N 1 3 343.559 4.290 20 10 EICDHO CC[N@H+]1CC[C@@H](N(C)Cc2ccc(N3CCCCC3)c(C)c2)C[C@@H]1C ZINC001191418185 1051453157 /nfs/dbraw/zinc/45/31/57/1051453157.db2.gz SDYYPGLDVCZTJY-PZJWPPBQSA-N 1 3 343.559 4.290 20 10 EICDHO CCC[N@@H+]1CC[C@H](CN[C@@H](C)c2ccc(N3CCCCCC3)cc2)C1 ZINC000765292678 1053498963 /nfs/dbraw/zinc/49/89/63/1053498963.db2.gz WYMVORXCVBHMQA-VQTJNVASSA-N 1 3 343.559 4.450 20 10 EICDHO CCC[N@H+]1CC[C@H](CN[C@@H](C)c2ccc(N3CCCCCC3)cc2)C1 ZINC000765292678 1053498972 /nfs/dbraw/zinc/49/89/72/1053498972.db2.gz WYMVORXCVBHMQA-VQTJNVASSA-N 1 3 343.559 4.450 20 10 EICDHO CC[NH+](CC)Cc1ccc(CNCc2ccc(N(C)C)c(F)c2)cc1 ZINC001199027805 1054337880 /nfs/dbraw/zinc/33/78/80/1054337880.db2.gz JAEORDZTZHKLKK-UHFFFAOYSA-N 1 3 343.490 4.023 20 10 EICDHO CC[NH+](CC)Cc1ccc(C[NH2+][C@H](C)c2cc(F)ccc2[O-])cc1 ZINC000325580897 1021027398 /nfs/dbraw/zinc/02/73/98/1021027398.db2.gz NXEFDQWODMHHCP-OAHLLOKOSA-N 1 3 330.447 4.224 20 10 EICDHO CC[C@H]([NH2+]Cc1ccc(C[NH+](CC)CC)cc1)c1ccccc1[O-] ZINC000323947568 1039060665 /nfs/dbraw/zinc/06/06/65/1039060665.db2.gz MPHWITJDOIADLY-FQEVSTJZSA-N 1 3 326.484 4.475 20 10 EICDHO Cc1cc(Cl)cc([C@H](C)[NH2+]Cc2cccc(C[NH+](C)C)c2)c1[O-] ZINC000808673715 1048045379 /nfs/dbraw/zinc/04/53/79/1048045379.db2.gz ICGGLNHSWICBAW-AWEZNQCLSA-N 1 3 332.875 4.266 20 10 EICDHO CC(C)[NH2+]CCC[NH2+][C@@H](CCc1ccccc1)c1ccccc1[O-] ZINC000817952354 1049066288 /nfs/dbraw/zinc/06/62/88/1049066288.db2.gz DYXVEONYUDMVRQ-FQEVSTJZSA-N 1 3 326.484 4.044 20 10 EICDHO C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1)c1cc(F)ccc1[O-] ZINC000184905675 1052302808 /nfs/dbraw/zinc/30/28/08/1052302808.db2.gz TZWNSKJCXMPEBJ-MRXNPFEDSA-N 1 3 342.458 4.368 20 10 EICDHO C[C@@H](NC[C@H](C)C[NH+]1CCCC1)c1ccc(N2CCCCC2)cc1 ZINC000765118958 1053444645 /nfs/dbraw/zinc/44/46/45/1053444645.db2.gz JLKLFJRCCHSNDL-RBUKOAKNSA-N 1 3 329.532 4.059 20 10 EICDHO C[C@H]([NH2+][C@H]1CCC[C@H](N(C)C)C1)c1ccc(N2CCCCC2)cc1 ZINC000766476383 1060383930 /nfs/dbraw/zinc/38/39/30/1060383930.db2.gz XVZJYNVSAGCNCE-CUWPLCDZSA-N 1 3 329.532 4.200 20 10 EICDHO CCC[NH+]1CCC(N[C@@H](C)c2ccc(N3CCCCC3)cc2)CC1 ZINC000161644721 1028496205 /nfs/dbraw/zinc/49/62/05/1028496205.db2.gz ZSDJIOBIDJTUIB-SFHVURJKSA-N 1 3 329.532 4.202 20 10 EICDHO Cc1cc(C[NH2+]C2CCN(C(C)C)CC2)c(C)n1-c1ccccc1 ZINC000323896039 1036845149 /nfs/dbraw/zinc/84/51/49/1036845149.db2.gz OPJGUGPVMBIKMZ-UHFFFAOYSA-N 1 3 325.500 4.057 20 10 EICDHO C[C@H](NC[C@@H]([NH3+])c1ccc(N(C)C)cc1)c1cc2ccccc2s1 ZINC000817939947 1049062654 /nfs/dbraw/zinc/06/26/54/1049062654.db2.gz DLJKWOWCCUKLSL-KBXCAEBGSA-N 1 3 339.508 4.318 20 10 EICDHO C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCC(C)CC1)c1ccccc1[O-] ZINC000183420583 1051116664 /nfs/dbraw/zinc/11/66/64/1051116664.db2.gz JSZCVJVYKKBOSD-SFHVURJKSA-N 1 3 338.495 4.475 20 10 EICDHO C[C@H]([NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1)c1cc(F)ccc1[O-] ZINC000184905656 1052303002 /nfs/dbraw/zinc/30/30/02/1052303002.db2.gz TZWNSKJCXMPEBJ-INIZCTEOSA-N 1 3 342.458 4.368 20 10 EICDHO Cc1ccc([C@@H](C)[NH2+]CC2CC[NH+](Cc3cccs3)CC2)c([O-])c1 ZINC000185241519 1052551072 /nfs/dbraw/zinc/55/10/72/1052551072.db2.gz IZDKKQCRJWTJHX-MRXNPFEDSA-N 1 3 344.524 4.325 20 10 EICDHO Cc1cc(Cl)cc(C[NH2+]Cc2cccc(C[N@@H+](C)C(C)C)c2)c1[O-] ZINC000776075611 1054522569 /nfs/dbraw/zinc/52/25/69/1054522569.db2.gz CFPPYPBFYMNFEA-UHFFFAOYSA-N 1 3 346.902 4.484 20 10 EICDHO Cc1cc(Cl)cc(C[NH2+]Cc2cccc(C[N@H+](C)C(C)C)c2)c1[O-] ZINC000776075611 1054522575 /nfs/dbraw/zinc/52/25/75/1054522575.db2.gz CFPPYPBFYMNFEA-UHFFFAOYSA-N 1 3 346.902 4.484 20 10 EICDHO CCC[NH+]1CCC(N[C@H](C)c2ccc(N3CCCCC3)cc2)CC1 ZINC000161644860 1028495422 /nfs/dbraw/zinc/49/54/22/1028495422.db2.gz ZSDJIOBIDJTUIB-GOSISDBHSA-N 1 3 329.532 4.202 20 10 EICDHO CCCN(CCC)c1ccc(C[NH2+]C2CCN(CC3CC3)CC2)cc1 ZINC000916836778 1046377792 /nfs/dbraw/zinc/37/77/92/1046377792.db2.gz MUKXFJBUJQYBLG-UHFFFAOYSA-N 1 3 343.559 4.277 20 10 EICDHO C[C@@H](NC[C@@H]([NH3+])c1ccc(N(C)C)cc1)c1cc2ccccc2s1 ZINC000817939952 1049061566 /nfs/dbraw/zinc/06/15/66/1049061566.db2.gz DLJKWOWCCUKLSL-RDTXWAMCSA-N 1 3 339.508 4.318 20 10 EICDHO C[C@H](NC[C@H]([NH3+])c1ccc(N(C)C)cc1)c1cc2ccccc2s1 ZINC000817939950 1049061739 /nfs/dbraw/zinc/06/17/39/1049061739.db2.gz DLJKWOWCCUKLSL-KSSFIOAISA-N 1 3 339.508 4.318 20 10 EICDHO [O-]c1ccc(-c2ccccc2)cc1C[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000775025002 1050349334 /nfs/dbraw/zinc/34/93/34/1050349334.db2.gz RSYNNUBNSDPPIB-UHFFFAOYSA-N 1 3 336.479 4.023 20 10 EICDHO CC[N@@H+]1CC[C@@H](N(C)Cc2ccc(N3CCCCC3)c(C)c2)C[C@H]1C ZINC001191418187 1051452177 /nfs/dbraw/zinc/45/21/77/1051452177.db2.gz SDYYPGLDVCZTJY-TZIWHRDSSA-N 1 3 343.559 4.290 20 10 EICDHO CC[N@H+]1CC[C@@H](N(C)Cc2ccc(N3CCCCC3)c(C)c2)C[C@H]1C ZINC001191418187 1051452188 /nfs/dbraw/zinc/45/21/88/1051452188.db2.gz SDYYPGLDVCZTJY-TZIWHRDSSA-N 1 3 343.559 4.290 20 10 EICDHO C[C@@H]([NH2+]CC(C)(C)CN(C)C)c1ccc(N2CCCCC2)c(F)c1 ZINC000764431873 1053100868 /nfs/dbraw/zinc/10/08/68/1053100868.db2.gz HGNZTBVMRNFONI-MRXNPFEDSA-N 1 3 335.511 4.054 20 10 EICDHO CC(C)[NH2+]CCC[NH2+][C@H](CCc1ccccc1)c1ccccc1[O-] ZINC000817952356 1049066942 /nfs/dbraw/zinc/06/69/42/1049066942.db2.gz DYXVEONYUDMVRQ-HXUWFJFHSA-N 1 3 326.484 4.044 20 10 EICDHO CC(C)[N@H+](C)Cc1ccccc1C[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000185016434 1052370455 /nfs/dbraw/zinc/37/04/55/1052370455.db2.gz ZNGISTCANPORHL-OAHLLOKOSA-N 1 3 330.447 4.222 20 10 EICDHO CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000185016434 1052370457 /nfs/dbraw/zinc/37/04/57/1052370457.db2.gz ZNGISTCANPORHL-OAHLLOKOSA-N 1 3 330.447 4.222 20 10 EICDHO CCC[N@@H+]1CC[C@@H](CN[C@H](C)c2ccc(N3CCCCCC3)cc2)C1 ZINC000765292674 1053499694 /nfs/dbraw/zinc/49/96/94/1053499694.db2.gz WYMVORXCVBHMQA-UXHICEINSA-N 1 3 343.559 4.450 20 10 EICDHO CCC[N@H+]1CC[C@@H](CN[C@H](C)c2ccc(N3CCCCCC3)cc2)C1 ZINC000765292674 1053499699 /nfs/dbraw/zinc/49/96/99/1053499699.db2.gz WYMVORXCVBHMQA-UXHICEINSA-N 1 3 343.559 4.450 20 10 EICDHO CC(C)N1CCC[C@H](C[NH2+][C@@H](C)c2ccc(N3CCCCC3)cc2)C1 ZINC000765784606 1055302992 /nfs/dbraw/zinc/30/29/92/1055302992.db2.gz SJEQBRPAXWJYBT-VQTJNVASSA-N 1 3 343.559 4.448 20 10 EICDHO CC[C@H]([NH2+]C1CCN(C2CCCC2)CC1)c1ccc(N(C)C)cc1 ZINC000160482595 1021961418 /nfs/dbraw/zinc/96/14/18/1021961418.db2.gz BCCZUOKNOOUACT-NRFANRHFSA-N 1 3 329.532 4.200 20 10 EICDHO Cc1c2ccccc2n(C)c1CN[C@@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000423086091 1037946265 /nfs/dbraw/zinc/94/62/65/1037946265.db2.gz MJLXSNVIAQPNSA-UYAOXDASSA-N 1 3 333.479 4.070 20 10 EICDHO [O-]c1ccccc1[C@H](CCc1ccccc1)[NH2+]CCC[C@H]1CCC[NH2+]1 ZINC000817982174 1049078549 /nfs/dbraw/zinc/07/85/49/1049078549.db2.gz ZAPNKWYWRHCGQK-CTNGQTDRSA-N 1 3 338.495 4.188 20 10 EICDHO C[C@H](CN[C@H](C)c1ccc(N2CCCCC2)cc1)C[NH+]1CCCC1 ZINC000765118962 1053444911 /nfs/dbraw/zinc/44/49/11/1053444911.db2.gz JLKLFJRCCHSNDL-RTBURBONSA-N 1 3 329.532 4.059 20 10 EICDHO CCCCN1CCC([NH2+]Cc2ccc(N(CC)CC)c(F)c2)CC1 ZINC000740003979 1045174481 /nfs/dbraw/zinc/17/44/81/1045174481.db2.gz GVRKLIKUZOUMAG-UHFFFAOYSA-N 1 3 335.511 4.026 20 10 EICDHO C[C@H]([NH2+]Cc1cccc(C[NH+]2CCC(C)CC2)c1)c1ccccc1[O-] ZINC000183495343 1051139527 /nfs/dbraw/zinc/13/95/27/1051139527.db2.gz RAJSCSIKNJWYTL-SFHVURJKSA-N 1 3 338.495 4.475 20 10 EICDHO CC(C)N1CCC[C@@H](C[NH2+][C@@H](C)c2ccc(N3CCCCC3)cc2)C1 ZINC000765784603 1055302585 /nfs/dbraw/zinc/30/25/85/1055302585.db2.gz SJEQBRPAXWJYBT-PMACEKPBSA-N 1 3 343.559 4.448 20 10 EICDHO CC[NH+]1CCC(CC[NH2+]Cc2cc(-c3ccccc3)ccc2[O-])CC1 ZINC000742377162 1058602306 /nfs/dbraw/zinc/60/23/06/1058602306.db2.gz IUALSCBPKWRRES-UHFFFAOYSA-N 1 3 338.495 4.271 20 10 EICDHO CCN(C)c1ccc([C@H](C)[NH2+]C2CCN(C3CCCC3)CC2)cc1 ZINC000160466203 1021880819 /nfs/dbraw/zinc/88/08/19/1021880819.db2.gz MBSSXGOAINIPQT-KRWDZBQOSA-N 1 3 329.532 4.200 20 10 EICDHO CCCN1CCC([NH2+]Cc2cc(C)n(-c3ccccc3)c2C)CC1 ZINC000323897673 1036842490 /nfs/dbraw/zinc/84/24/90/1036842490.db2.gz OXKHIFQDKSWHAC-UHFFFAOYSA-N 1 3 325.500 4.058 20 10 EICDHO CCC[N@@H+]1CC[C@@H](CN[C@@H](C)c2ccc(N3CCCCC3)cc2)C1 ZINC000151094808 1038666856 /nfs/dbraw/zinc/66/68/56/1038666856.db2.gz MVVNZLXQXFFABM-OALUTQOASA-N 1 3 329.532 4.059 20 10 EICDHO CCC[N@H+]1CC[C@@H](CN[C@@H](C)c2ccc(N3CCCCC3)cc2)C1 ZINC000151094808 1038666863 /nfs/dbraw/zinc/66/68/63/1038666863.db2.gz MVVNZLXQXFFABM-OALUTQOASA-N 1 3 329.532 4.059 20 10 EICDHO Cc1cc(C)c([C@@H](C)[NH2+]C2CCC([NH+]3CCCCC3)CC2)c([O-])c1 ZINC000815587096 1048526170 /nfs/dbraw/zinc/52/61/70/1048526170.db2.gz ZHCAVDQZBXEDAN-LMDPOFIKSA-N 1 3 330.516 4.457 20 10 EICDHO CC1(C[NH2+][C@H](CCc2ccccc2)c2ccccc2[O-])CC[NH2+]CC1 ZINC000817965217 1049073099 /nfs/dbraw/zinc/07/30/99/1049073099.db2.gz RJLOVPQMYSUQBG-HXUWFJFHSA-N 1 3 338.495 4.045 20 10 EICDHO CC(C)[NH+]1CCC(N[C@@H](C)c2ccc(N3CCCCC3)cc2)CC1 ZINC000180403662 1049889631 /nfs/dbraw/zinc/88/96/31/1049889631.db2.gz RJANWXPUFFNJLK-SFHVURJKSA-N 1 3 329.532 4.200 20 10 EICDHO C[C@@H](CN[C@@H](C)c1ccc(N2CCCCC2)cc1)C[NH+]1CCCC1 ZINC000765118957 1053445023 /nfs/dbraw/zinc/44/50/23/1053445023.db2.gz JLKLFJRCCHSNDL-OALUTQOASA-N 1 3 329.532 4.059 20 10 EICDHO C[C@H]([NH2+][C@@H]1CCC[C@H](N(C)C)C1)c1ccc(N2CCCCC2)cc1 ZINC000766476384 1060386058 /nfs/dbraw/zinc/38/60/58/1060386058.db2.gz XVZJYNVSAGCNCE-DSKINZAPSA-N 1 3 329.532 4.200 20 10 EICDHO C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCCCC1)c1cc(F)ccc1[O-] ZINC000756364097 1022393957 /nfs/dbraw/zinc/39/39/57/1022393957.db2.gz HXZFOEPJWDVMJT-INIZCTEOSA-N 1 3 342.458 4.368 20 10 EICDHO C[C@H](N[C@@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(N2CCCCCC2)cc1 ZINC000766165088 1045003332 /nfs/dbraw/zinc/00/33/32/1045003332.db2.gz CKWQLXHBBDBKEW-CMKODMSKSA-N 1 3 329.532 4.200 20 10 EICDHO C[C@H](N[C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(N2CCCCCC2)cc1 ZINC000766165088 1045003344 /nfs/dbraw/zinc/00/33/44/1045003344.db2.gz CKWQLXHBBDBKEW-CMKODMSKSA-N 1 3 329.532 4.200 20 10 EICDHO C[NH+](C)CCC1CC[NH+](Cc2cc(-c3ccccc3)ccc2[O-])CC1 ZINC000768997165 1045873374 /nfs/dbraw/zinc/87/33/74/1045873374.db2.gz AJONOPLBJGTCAI-UHFFFAOYSA-N 1 3 338.495 4.223 20 10 EICDHO C[C@@H](N[C@@H](C)c1ccc(N2CCCCCC2)cc1)[C@@H]1CCC[NH2+]C1 ZINC000817946630 1049061696 /nfs/dbraw/zinc/06/16/96/1049061696.db2.gz BVPZZCHMVBXFRU-NLWGTHIKSA-N 1 3 329.532 4.106 20 10 EICDHO CC[C@@H](NC[C@H]1CCC[N@H+](CC(C)C)C1)c1ccc(N(C)C)cc1 ZINC000773074669 1049565184 /nfs/dbraw/zinc/56/51/84/1049565184.db2.gz GYQNUYMWLKFRTM-WIYYLYMNSA-N 1 3 331.548 4.161 20 10 EICDHO CC[C@@H](NC[C@H]1CCC[N@@H+](CC(C)C)C1)c1ccc(N(C)C)cc1 ZINC000773074669 1049565199 /nfs/dbraw/zinc/56/51/99/1049565199.db2.gz GYQNUYMWLKFRTM-WIYYLYMNSA-N 1 3 331.548 4.161 20 10 EICDHO C[NH+](C)CCCC(C)(C)[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000824914735 1047984157 /nfs/dbraw/zinc/98/41/57/1047984157.db2.gz XRFVITVMCZHUSF-UHFFFAOYSA-N 1 3 326.484 4.269 20 10 EICDHO CCCN1CCC([NH2+][C@@H](CC)c2ccc(C(F)(F)F)cc2O)CC1 ZINC000810208243 1048707210 /nfs/dbraw/zinc/70/72/10/1048707210.db2.gz VIOXQDVXIDFCPS-INIZCTEOSA-N 1 3 344.421 4.326 20 10 EICDHO C[C@H](N[C@@H](C)[C@@H]1CCC[NH2+]C1)c1ccc(N2CCCCCC2)cc1 ZINC000817946629 1049061828 /nfs/dbraw/zinc/06/18/28/1049061828.db2.gz BVPZZCHMVBXFRU-CMKODMSKSA-N 1 3 329.532 4.106 20 10 EICDHO CCN(Cc1ccccc1)c1ccc(CN[C@@H](C)CC[NH+](C)C)cc1 ZINC000744267735 1059360951 /nfs/dbraw/zinc/36/09/51/1059360951.db2.gz UBKDNEVHYOZVRQ-IBGZPJMESA-N 1 3 339.527 4.143 20 10 EICDHO C[C@H](CCCC[NH3+])[NH2+][C@H](CCc1ccccc1)c1ccccc1[O-] ZINC000817975747 1049073725 /nfs/dbraw/zinc/07/37/25/1049073725.db2.gz ATWCWMBUVCBNTO-YLJYHZDGSA-N 1 3 326.484 4.173 20 10 EICDHO C[C@@H](CCCC[NH3+])[NH2+][C@H](CCc1ccccc1)c1ccccc1[O-] ZINC000817975744 1049074406 /nfs/dbraw/zinc/07/44/06/1049074406.db2.gz ATWCWMBUVCBNTO-FXAWDEMLSA-N 1 3 326.484 4.173 20 10 EICDHO CC[NH+](CC)Cc1cccc(C[NH2+][C@H](C)c2ccc(C)cc2[O-])c1 ZINC000185062293 1052388678 /nfs/dbraw/zinc/38/86/78/1052388678.db2.gz OISOSOLMZXNKFZ-QGZVFWFLSA-N 1 3 326.484 4.393 20 10 EICDHO C[C@H](NC[C@H]1CCCC[N@H+](C)C1)c1ccc(N2CCCCC2)cc1 ZINC000858490320 1054498377 /nfs/dbraw/zinc/49/83/77/1054498377.db2.gz GFFVUCAMFHEDHI-RBUKOAKNSA-N 1 3 329.532 4.059 20 10 EICDHO C[C@H](NC[C@H]1CCCC[N@@H+](C)C1)c1ccc(N2CCCCC2)cc1 ZINC000858490320 1054498381 /nfs/dbraw/zinc/49/83/81/1054498381.db2.gz GFFVUCAMFHEDHI-RBUKOAKNSA-N 1 3 329.532 4.059 20 10 EICDHO C[C@H]([NH2+]C[C@H]1CCCCN(C)C1)c1ccc(N2CCCCC2)cc1 ZINC000858490320 1054498385 /nfs/dbraw/zinc/49/83/85/1054498385.db2.gz GFFVUCAMFHEDHI-RBUKOAKNSA-N 1 3 329.532 4.059 20 10 EICDHO CCC[NH+]1CCC(C[NH2+]Cc2cc(-c3ccccc3)ccc2[O-])CC1 ZINC000729682363 1032130308 /nfs/dbraw/zinc/13/03/08/1032130308.db2.gz SXRKGVMXIMSIRS-UHFFFAOYSA-N 1 3 338.495 4.271 20 10 EICDHO Cc1ccc(O)c(C[NH2+]C[C@H]2CCCCN(Cc3ccccc3)C2)c1 ZINC000311203217 1023000745 /nfs/dbraw/zinc/00/07/45/1023000745.db2.gz ILHRHRSHLCMULY-HXUWFJFHSA-N 1 3 338.495 4.093 20 10 EICDHO C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H](C)C1)c1ccccc1[O-] ZINC000248390964 1033846214 /nfs/dbraw/zinc/84/62/14/1033846214.db2.gz UNQUMBBENRJMAS-ZWKOTPCHSA-N 1 3 338.495 4.475 20 10 EICDHO C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H](C)C1)c1ccccc1[O-] ZINC000248390964 1033846217 /nfs/dbraw/zinc/84/62/17/1033846217.db2.gz UNQUMBBENRJMAS-ZWKOTPCHSA-N 1 3 338.495 4.475 20 10 EICDHO CC[C@@H]([NH2+]Cc1ccccc1C[NH+](CC)CC)c1ccccc1[O-] ZINC000192927121 1041076349 /nfs/dbraw/zinc/07/63/49/1041076349.db2.gz GCWOWVOPWKECDO-HXUWFJFHSA-N 1 3 326.484 4.475 20 10 EICDHO CC[C@@H]([NH2+]C1CCC([NH+]2CCC(C)CC2)CC1)c1ccccc1[O-] ZINC000775524056 1051700115 /nfs/dbraw/zinc/70/01/15/1051700115.db2.gz PFNMYCIXBFPYMA-AFMYVXGZSA-N 1 3 330.516 4.476 20 10 EICDHO CC[C@@H]([NH2+]Cc1cccc(C[N@H+](C)CC)c1)c1ccc(C)cc1[O-] ZINC000794807895 1053417434 /nfs/dbraw/zinc/41/74/34/1053417434.db2.gz MVRBPZLJHXTZCW-HXUWFJFHSA-N 1 3 326.484 4.393 20 10 EICDHO CC[C@@H]([NH2+]Cc1cccc(C[N@@H+](C)CC)c1)c1ccc(C)cc1[O-] ZINC000794807895 1053417436 /nfs/dbraw/zinc/41/74/36/1053417436.db2.gz MVRBPZLJHXTZCW-HXUWFJFHSA-N 1 3 326.484 4.393 20 10 EICDHO C[C@H](CN[C@@H](C)c1ccc(N2CCCCC2)cc1)C[NH+]1CCCC1 ZINC000765118955 1053444535 /nfs/dbraw/zinc/44/45/35/1053444535.db2.gz JLKLFJRCCHSNDL-MOPGFXCFSA-N 1 3 329.532 4.059 20 10 EICDHO CCC[N@@H+]1CC[C@@H](CN[C@@H](C)c2ccc(N3CCCCCC3)cc2)C1 ZINC000765292653 1053498743 /nfs/dbraw/zinc/49/87/43/1053498743.db2.gz WYMVORXCVBHMQA-PMACEKPBSA-N 1 3 343.559 4.450 20 10 EICDHO CCC[N@H+]1CC[C@@H](CN[C@@H](C)c2ccc(N3CCCCCC3)cc2)C1 ZINC000765292653 1053498755 /nfs/dbraw/zinc/49/87/55/1053498755.db2.gz WYMVORXCVBHMQA-PMACEKPBSA-N 1 3 343.559 4.450 20 10 EICDHO CCCCN1CCC([NH2+]Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000122962860 1054065597 /nfs/dbraw/zinc/06/55/97/1054065597.db2.gz GREOQJNUXYUYHZ-UHFFFAOYSA-N 1 3 329.532 4.031 20 10 EICDHO CC(C)N1CCC[C@H](C[NH2+][C@H](C)c2ccc(N3CCCCC3)cc2)C1 ZINC000765784608 1055303354 /nfs/dbraw/zinc/30/33/54/1055303354.db2.gz SJEQBRPAXWJYBT-WOJBJXKFSA-N 1 3 343.559 4.448 20 10 EICDHO Cc1c2ccccc2n(C)c1CN[C@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000423086088 1037945806 /nfs/dbraw/zinc/94/58/06/1037945806.db2.gz MJLXSNVIAQPNSA-AZUAARDMSA-N 1 3 333.479 4.070 20 10 EICDHO Cc1cc(C)c([C@H](C)[NH2+]C2CCC([NH+]3CCCCC3)CC2)c([O-])c1 ZINC000815587097 1048525010 /nfs/dbraw/zinc/52/50/10/1048525010.db2.gz ZHCAVDQZBXEDAN-VIQWUECVSA-N 1 3 330.516 4.457 20 10 EICDHO CC[NH+](CC)Cc1cccc(CNCc2ccc(OC)c(C)c2)c1 ZINC000069716276 1050773211 /nfs/dbraw/zinc/77/32/11/1050773211.db2.gz LSQNRXIJZINNJV-UHFFFAOYSA-N 1 3 326.484 4.135 20 10 EICDHO CC[NH+](CC)Cc1ccc(C[NH2+][C@@H](C)c2cc(F)ccc2[O-])cc1 ZINC000325580894 1021027203 /nfs/dbraw/zinc/02/72/03/1021027203.db2.gz NXEFDQWODMHHCP-HNNXBMFYSA-N 1 3 330.447 4.224 20 10 EICDHO CC[C@@H]([NH2+]C1CCN(C2CCCC2)CC1)c1ccc(N(C)C)cc1 ZINC000160482730 1021961549 /nfs/dbraw/zinc/96/15/49/1021961549.db2.gz BCCZUOKNOOUACT-OAQYLSRUSA-N 1 3 329.532 4.200 20 10 EICDHO CCN1CC[C@H](C[NH2+][C@@H](C)c2ccc(N3CCCCCC3)cc2)C1 ZINC000163281351 1029980741 /nfs/dbraw/zinc/98/07/41/1029980741.db2.gz PYDNASLGUYXKOY-RBUKOAKNSA-N 1 3 329.532 4.059 20 10 EICDHO CC[N@@H+]1CC[C@H](CN[C@@H](C)c2ccc(N3CCCCCC3)cc2)C1 ZINC000163281351 1029980765 /nfs/dbraw/zinc/98/07/65/1029980765.db2.gz PYDNASLGUYXKOY-RBUKOAKNSA-N 1 3 329.532 4.059 20 10 EICDHO CC[N@H+]1CC[C@H](CN[C@@H](C)c2ccc(N3CCCCCC3)cc2)C1 ZINC000163281351 1029980792 /nfs/dbraw/zinc/98/07/92/1029980792.db2.gz PYDNASLGUYXKOY-RBUKOAKNSA-N 1 3 329.532 4.059 20 10 EICDHO [O-]c1ccccc1[C@H](CCc1ccccc1)[NH2+]CCC[C@@H]1CCC[NH2+]1 ZINC000817982175 1049077285 /nfs/dbraw/zinc/07/72/85/1049077285.db2.gz ZAPNKWYWRHCGQK-FPOVZHCZSA-N 1 3 338.495 4.188 20 10 EICDHO CCC[N@@H+]1CC[C@H](CN[C@H](C)c2ccc(N3CCCCCC3)cc2)C1 ZINC000765292681 1053498657 /nfs/dbraw/zinc/49/86/57/1053498657.db2.gz WYMVORXCVBHMQA-WOJBJXKFSA-N 1 3 343.559 4.450 20 10 EICDHO CCC[N@H+]1CC[C@H](CN[C@H](C)c2ccc(N3CCCCCC3)cc2)C1 ZINC000765292681 1053498668 /nfs/dbraw/zinc/49/86/68/1053498668.db2.gz WYMVORXCVBHMQA-WOJBJXKFSA-N 1 3 343.559 4.450 20 10 EICDHO C[C@H]1C[C@H](NCc2ccc(N(C)C3CCCCC3)cc2)CC[N@@H+]1C ZINC000765446023 1053551717 /nfs/dbraw/zinc/55/17/17/1053551717.db2.gz PEYOMIRFWBLMGB-PKOBYXMFSA-N 1 3 329.532 4.028 20 10 EICDHO C[C@H]1C[C@H](NCc2ccc(N(C)C3CCCCC3)cc2)CC[N@H+]1C ZINC000765446023 1053551725 /nfs/dbraw/zinc/55/17/25/1053551725.db2.gz PEYOMIRFWBLMGB-PKOBYXMFSA-N 1 3 329.532 4.028 20 10 EICDHO C[C@H]([NH2+][C@H]1CCC[C@@H](N(C)C)C1)c1ccc(N2CCCCC2)cc1 ZINC000766476387 1060386628 /nfs/dbraw/zinc/38/66/28/1060386628.db2.gz XVZJYNVSAGCNCE-HFSMHLIXSA-N 1 3 329.532 4.200 20 10 EICDHO C[C@@H](N[C@@H](C)c1ccc(N2CCCCCC2)cc1)[C@H]1CCC[NH2+]C1 ZINC000817946631 1049063727 /nfs/dbraw/zinc/06/37/27/1049063727.db2.gz BVPZZCHMVBXFRU-NSHGMRRFSA-N 1 3 329.532 4.106 20 10 EICDHO C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCC(C)CC1)c1ccccc1[O-] ZINC000183420600 1051116582 /nfs/dbraw/zinc/11/65/82/1051116582.db2.gz JSZCVJVYKKBOSD-GOSISDBHSA-N 1 3 338.495 4.475 20 10 EICDHO C[C@@H](NC[C@@H]1CCCC[N@H+](C)C1)c1ccc(N2CCCCC2)cc1 ZINC000858490318 1054498318 /nfs/dbraw/zinc/49/83/18/1054498318.db2.gz GFFVUCAMFHEDHI-MOPGFXCFSA-N 1 3 329.532 4.059 20 10 EICDHO C[C@@H](NC[C@@H]1CCCC[N@@H+](C)C1)c1ccc(N2CCCCC2)cc1 ZINC000858490318 1054498320 /nfs/dbraw/zinc/49/83/20/1054498320.db2.gz GFFVUCAMFHEDHI-MOPGFXCFSA-N 1 3 329.532 4.059 20 10 EICDHO C[C@@H]([NH2+]C[C@@H]1CCCCN(C)C1)c1ccc(N2CCCCC2)cc1 ZINC000858490318 1054498324 /nfs/dbraw/zinc/49/83/24/1054498324.db2.gz GFFVUCAMFHEDHI-MOPGFXCFSA-N 1 3 329.532 4.059 20 10 EICDHO C[C@H]([NH2+][C@@H]1CCC[C@@H](N(C)C)C1)c1ccc(N2CCCCC2)cc1 ZINC000766476386 1060385911 /nfs/dbraw/zinc/38/59/11/1060385911.db2.gz XVZJYNVSAGCNCE-FBBABVLZSA-N 1 3 329.532 4.200 20 10 EICDHO [O-]c1ccc(-c2ccccc2)cc1C[NH2+]CCCCC[NH+]1CCCC1 ZINC000815151819 1048349495 /nfs/dbraw/zinc/34/94/95/1048349495.db2.gz UVTXLIOGNWHNLK-UHFFFAOYSA-N 1 3 338.495 4.415 20 10 EICDHO [O-]c1ccccc1[C@@H](CCc1ccccc1)[NH2+]CCC1CC[NH2+]CC1 ZINC000844926557 1048549818 /nfs/dbraw/zinc/54/98/18/1048549818.db2.gz WIXBJNUQLPUJOQ-OAQYLSRUSA-N 1 3 338.495 4.045 20 10 EICDHO CC[C@@H]([NH2+]C1CCN(C(C)C)CC1)c1ccc(C(F)(F)F)cc1O ZINC000810223611 1048692810 /nfs/dbraw/zinc/69/28/10/1048692810.db2.gz OKHYZPNUUDEXOA-MRXNPFEDSA-N 1 3 344.421 4.325 20 10 EICDHO COc1cccc([C@H](C)NC2CC[NH+](CC3CCCCC3)CC2)c1O ZINC000846143329 1048831586 /nfs/dbraw/zinc/83/15/86/1048831586.db2.gz ZKDUHVBEOJLJSE-INIZCTEOSA-N 1 3 346.515 4.096 20 10 EICDHO C[C@H]([NH2+]Cc1ccc(C[NH+]2CCC(C)CC2)cc1)c1ccccc1[O-] ZINC000183396668 1051108889 /nfs/dbraw/zinc/10/88/89/1051108889.db2.gz VLENPYVVIXOUSD-SFHVURJKSA-N 1 3 338.495 4.475 20 10 EICDHO CC(C)[N@H+](C)Cc1ccccc1C[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000185016411 1052369985 /nfs/dbraw/zinc/36/99/85/1052369985.db2.gz ZNGISTCANPORHL-HNNXBMFYSA-N 1 3 330.447 4.222 20 10 EICDHO CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000185016411 1052369990 /nfs/dbraw/zinc/36/99/90/1052369990.db2.gz ZNGISTCANPORHL-HNNXBMFYSA-N 1 3 330.447 4.222 20 10 EICDHO C[C@H](NC[C@@H]1CCCC[N@H+](C)C1)c1ccc(N2CCCCC2)cc1 ZINC000858490319 1054499113 /nfs/dbraw/zinc/49/91/13/1054499113.db2.gz GFFVUCAMFHEDHI-OALUTQOASA-N 1 3 329.532 4.059 20 10 EICDHO C[C@H](NC[C@@H]1CCCC[N@@H+](C)C1)c1ccc(N2CCCCC2)cc1 ZINC000858490319 1054499120 /nfs/dbraw/zinc/49/91/20/1054499120.db2.gz GFFVUCAMFHEDHI-OALUTQOASA-N 1 3 329.532 4.059 20 10 EICDHO C[C@H]([NH2+]C[C@@H]1CCCCN(C)C1)c1ccc(N2CCCCC2)cc1 ZINC000858490319 1054499123 /nfs/dbraw/zinc/49/91/23/1054499123.db2.gz GFFVUCAMFHEDHI-OALUTQOASA-N 1 3 329.532 4.059 20 10 EICDHO CC(C)N1CCC[C@@H](C[NH2+][C@H](C)c2ccc(N3CCCCC3)cc2)C1 ZINC000765784605 1055303737 /nfs/dbraw/zinc/30/37/37/1055303737.db2.gz SJEQBRPAXWJYBT-UXHICEINSA-N 1 3 343.559 4.448 20 10 EICDHO CC[C@@H]([NH2+]Cc1ccc(C[NH+](CC)CC)cc1)c1ccccc1[O-] ZINC000323947569 1039061582 /nfs/dbraw/zinc/06/15/82/1039061582.db2.gz MPHWITJDOIADLY-HXUWFJFHSA-N 1 3 326.484 4.475 20 10 EICDHO C[C@H](N[C@@H](C)[C@H]1CCC[NH2+]C1)c1ccc(N2CCCCCC2)cc1 ZINC000817946628 1049060690 /nfs/dbraw/zinc/06/06/90/1049060690.db2.gz BVPZZCHMVBXFRU-BJLQDIEVSA-N 1 3 329.532 4.106 20 10 EICDHO C[C@@H]1C[C@@H]([NH2+][C@H](CCC[NH3+])c2ccccc2)c2c1c(F)ccc2[O-] ZINC000817983248 1049078354 /nfs/dbraw/zinc/07/83/54/1049078354.db2.gz LDEPXRPLZWKFTG-KBRIMQKVSA-N 1 3 328.431 4.149 20 10 EICDHO C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCC(C)CC2)cc1)c1ccccc1[O-] ZINC000183396683 1051108454 /nfs/dbraw/zinc/10/84/54/1051108454.db2.gz VLENPYVVIXOUSD-GOSISDBHSA-N 1 3 338.495 4.475 20 10 EICDHO CC[N@@H+]1CC[C@H](N(C)Cc2ccc(N3CCCCC3)c(C)c2)C[C@H]1C ZINC001191418177 1051452796 /nfs/dbraw/zinc/45/27/96/1051452796.db2.gz SDYYPGLDVCZTJY-CTNGQTDRSA-N 1 3 343.559 4.290 20 10 EICDHO CC[N@H+]1CC[C@H](N(C)Cc2ccc(N3CCCCC3)c(C)c2)C[C@H]1C ZINC001191418177 1051452802 /nfs/dbraw/zinc/45/28/02/1051452802.db2.gz SDYYPGLDVCZTJY-CTNGQTDRSA-N 1 3 343.559 4.290 20 10 EICDHO C[C@@H]1C[C@@H](NCc2ccc(N(C)C3CCCCC3)cc2)CC[N@@H+]1C ZINC000765446021 1053549859 /nfs/dbraw/zinc/54/98/59/1053549859.db2.gz PEYOMIRFWBLMGB-MJGOQNOKSA-N 1 3 329.532 4.028 20 10 EICDHO C[C@@H]1C[C@@H](NCc2ccc(N(C)C3CCCCC3)cc2)CC[N@H+]1C ZINC000765446021 1053549876 /nfs/dbraw/zinc/54/98/76/1053549876.db2.gz PEYOMIRFWBLMGB-MJGOQNOKSA-N 1 3 329.532 4.028 20 10 EICDHO Cc1cc(CN2CC[C@H](C[NH+]3CCCCC3)C2)c(O)c(C(C)(C)C)c1 ZINC000742169106 1058530505 /nfs/dbraw/zinc/53/05/05/1058530505.db2.gz NTAAUMFCQLNCOQ-GOSISDBHSA-N 1 3 344.543 4.306 20 10 EICDHO C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H](C)C1)c1ccccc1[O-] ZINC000248390963 1033846021 /nfs/dbraw/zinc/84/60/21/1033846021.db2.gz UNQUMBBENRJMAS-QZTJIDSGSA-N 1 3 338.495 4.475 20 10 EICDHO C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H](C)C1)c1ccccc1[O-] ZINC000248390963 1033846022 /nfs/dbraw/zinc/84/60/22/1033846022.db2.gz UNQUMBBENRJMAS-QZTJIDSGSA-N 1 3 338.495 4.475 20 10 EICDHO C[NH+]1CCC2(CCC[N@H+]2Cc2cc(-c3ccccc3)ccc2[O-])CC1 ZINC000789559038 1047442452 /nfs/dbraw/zinc/44/24/52/1047442452.db2.gz IWHRYEGNRBLKKD-UHFFFAOYSA-N 1 3 336.479 4.119 20 10 EICDHO C[NH+]1CCC2(CCC[N@@H+]2Cc2cc(-c3ccccc3)ccc2[O-])CC1 ZINC000789559038 1047442447 /nfs/dbraw/zinc/44/24/47/1047442447.db2.gz IWHRYEGNRBLKKD-UHFFFAOYSA-N 1 3 336.479 4.119 20 10 EICDHO CC1(C[NH2+][C@@H](CCc2ccccc2)c2ccccc2[O-])CC[NH2+]CC1 ZINC000817965214 1049072754 /nfs/dbraw/zinc/07/27/54/1049072754.db2.gz RJLOVPQMYSUQBG-FQEVSTJZSA-N 1 3 338.495 4.045 20 10 EICDHO [O-]c1ccccc1[C@@H](CCc1ccccc1)[NH2+]CCC[C@@H]1CCC[NH2+]1 ZINC000817982176 1049076634 /nfs/dbraw/zinc/07/66/34/1049076634.db2.gz ZAPNKWYWRHCGQK-PZJWPPBQSA-N 1 3 338.495 4.188 20 10 EICDHO C[C@@H]1C[C@@H]([NH2+][C@@H](CCC[NH3+])c2ccccc2)c2c1c(F)ccc2[O-] ZINC000817983249 1049077594 /nfs/dbraw/zinc/07/75/94/1049077594.db2.gz LDEPXRPLZWKFTG-XOKHGSTOSA-N 1 3 328.431 4.149 20 10 EICDHO CC[NH+](CC)Cc1cccc(C[NH2+][C@@H](C)c2cc(F)ccc2[O-])c1 ZINC000185062319 1052388545 /nfs/dbraw/zinc/38/85/45/1052388545.db2.gz FBKBZLKKCHWYBA-HNNXBMFYSA-N 1 3 330.447 4.224 20 10 EICDHO CCCN(CCC)c1ccc(CNC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc1 ZINC000742380997 1058580955 /nfs/dbraw/zinc/58/09/55/1058580955.db2.gz UUARGSFIUXDCMV-XDNSSPFJSA-N 1 3 343.559 4.418 20 10 EICDHO CCCN(CCC)c1ccc(CNC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc1 ZINC000742380997 1058580973 /nfs/dbraw/zinc/58/09/73/1058580973.db2.gz UUARGSFIUXDCMV-XDNSSPFJSA-N 1 3 343.559 4.418 20 10 EICDHO CC[C@@H]([NH2+]Cc1ccccc1C[N@H+](C)C(C)C)c1ccccc1[O-] ZINC000155130777 1020276468 /nfs/dbraw/zinc/27/64/68/1020276468.db2.gz NOPCHZDRSNAURX-HXUWFJFHSA-N 1 3 326.484 4.473 20 10 EICDHO CC[C@@H]([NH2+]Cc1ccccc1C[N@@H+](C)C(C)C)c1ccccc1[O-] ZINC000155130777 1020276472 /nfs/dbraw/zinc/27/64/72/1020276472.db2.gz NOPCHZDRSNAURX-HXUWFJFHSA-N 1 3 326.484 4.473 20 10 EICDHO Cc1ccc([C@@H](C)[NH2+]C2CCC([NH+]3CCC(C)CC3)CC2)c([O-])c1 ZINC000186165075 1023102081 /nfs/dbraw/zinc/10/20/81/1023102081.db2.gz BXAKIFSGBYPJEA-LMDPOFIKSA-N 1 3 330.516 4.394 20 10 EICDHO CC[C@H]([NH2+]C1CCC([NH+]2CCC(C)CC2)CC1)c1ccccc1[O-] ZINC000775524059 1051698947 /nfs/dbraw/zinc/69/89/47/1051698947.db2.gz PFNMYCIXBFPYMA-QLOJAFMTSA-N 1 3 330.516 4.476 20 10 EICDHO CC[C@H]([NH2+]Cc1cccc(C[N@H+](C)C(C)C)c1)c1ccccc1[O-] ZINC000155384349 1020561877 /nfs/dbraw/zinc/56/18/77/1020561877.db2.gz MGGHOJKQDMHZJJ-FQEVSTJZSA-N 1 3 326.484 4.473 20 10 EICDHO CC[C@H]([NH2+]Cc1cccc(C[N@@H+](C)C(C)C)c1)c1ccccc1[O-] ZINC000155384349 1020561884 /nfs/dbraw/zinc/56/18/84/1020561884.db2.gz MGGHOJKQDMHZJJ-FQEVSTJZSA-N 1 3 326.484 4.473 20 10 EICDHO C[C@H](N[C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(N2CCCCCC2)cc1 ZINC000766165087 1045004177 /nfs/dbraw/zinc/00/41/77/1045004177.db2.gz CKWQLXHBBDBKEW-BJLQDIEVSA-N 1 3 329.532 4.200 20 10 EICDHO C[C@H](N[C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(N2CCCCCC2)cc1 ZINC000766165087 1045004189 /nfs/dbraw/zinc/00/41/89/1045004189.db2.gz CKWQLXHBBDBKEW-BJLQDIEVSA-N 1 3 329.532 4.200 20 10 EICDHO CCCN1CCC([NH2+][C@H](CC)c2ccc(C(F)(F)F)cc2O)CC1 ZINC000810208247 1048706201 /nfs/dbraw/zinc/70/62/01/1048706201.db2.gz VIOXQDVXIDFCPS-MRXNPFEDSA-N 1 3 344.421 4.326 20 10 EICDHO COc1cccc([C@@H](C)NC2CC[NH+](CC3CCCCC3)CC2)c1O ZINC000846143332 1048831938 /nfs/dbraw/zinc/83/19/38/1048831938.db2.gz ZKDUHVBEOJLJSE-MRXNPFEDSA-N 1 3 346.515 4.096 20 10 EICDHO Cc1cc(Cl)cc([C@@H](C)[NH2+][C@H](CCC[NH3+])c2ccccc2)c1[O-] ZINC000817984416 1049080493 /nfs/dbraw/zinc/08/04/93/1049080493.db2.gz XUYHSHCXQQEQJJ-RDTXWAMCSA-N 1 3 332.875 4.485 20 10 EICDHO C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H](C)C1)c1ccccc1[O-] ZINC000183421473 1051116629 /nfs/dbraw/zinc/11/66/29/1051116629.db2.gz UNQUMBBENRJMAS-MSOLQXFVSA-N 1 3 338.495 4.475 20 10 EICDHO C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H](C)C1)c1ccccc1[O-] ZINC000183421473 1051116632 /nfs/dbraw/zinc/11/66/32/1051116632.db2.gz UNQUMBBENRJMAS-MSOLQXFVSA-N 1 3 338.495 4.475 20 10 EICDHO COc1ccc(CNCc2cccc(C[N@H+](C)C(C)C)c2)cc1C ZINC000065976543 1031640269 /nfs/dbraw/zinc/64/02/69/1031640269.db2.gz OJTUMFWKRHGVCT-UHFFFAOYSA-N 1 3 326.484 4.134 20 10 EICDHO COc1ccc(CNCc2cccc(C[N@@H+](C)C(C)C)c2)cc1C ZINC000065976543 1031640272 /nfs/dbraw/zinc/64/02/72/1031640272.db2.gz OJTUMFWKRHGVCT-UHFFFAOYSA-N 1 3 326.484 4.134 20 10 EICDHO CC(C)(C)CC(C)(C)[NH+]1CCC(NCCc2ccc(N)cc2)CC1 ZINC000817957291 1049065772 /nfs/dbraw/zinc/06/57/72/1049065772.db2.gz KQLSWOHNOFMGOK-UHFFFAOYSA-N 1 3 331.548 4.080 20 10 EICDHO C[C@@H]1C[C@H]([NH2+][C@H](CCC[NH3+])c2ccccc2)c2c1c(F)ccc2[O-] ZINC000817983250 1049077454 /nfs/dbraw/zinc/07/74/54/1049077454.db2.gz LDEPXRPLZWKFTG-XYPHTWIQSA-N 1 3 328.431 4.149 20 10 EICDHO C[C@H]([NH2+]Cc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1)c1ccccc1[O-] ZINC000183418590 1051116549 /nfs/dbraw/zinc/11/65/49/1051116549.db2.gz GEBHYSDCBKLJKL-MSOLQXFVSA-N 1 3 338.495 4.475 20 10 EICDHO C[C@H]([NH2+]Cc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1)c1ccccc1[O-] ZINC000183418590 1051116560 /nfs/dbraw/zinc/11/65/60/1051116560.db2.gz GEBHYSDCBKLJKL-MSOLQXFVSA-N 1 3 338.495 4.475 20 10 EICDHO C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H](C)C1)c1ccccc1[O-] ZINC000183421489 1051116855 /nfs/dbraw/zinc/11/68/55/1051116855.db2.gz UNQUMBBENRJMAS-ROUUACIJSA-N 1 3 338.495 4.475 20 10 EICDHO C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H](C)C1)c1ccccc1[O-] ZINC000183421489 1051116860 /nfs/dbraw/zinc/11/68/60/1051116860.db2.gz UNQUMBBENRJMAS-ROUUACIJSA-N 1 3 338.495 4.475 20 10 EICDHO CN(c1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)N3C)cc1)C1CCCCC1 ZINC000774159059 1051488662 /nfs/dbraw/zinc/48/86/62/1051488662.db2.gz MLYGGWGENAIHAH-CZAFVFSZSA-N 1 3 341.543 4.170 20 10 EICDHO Cc1cc(C[NH+]2CCC(C)(N3CCC3)CC2)ccc1N1CCCCC1 ZINC001175669966 1051722055 /nfs/dbraw/zinc/72/20/55/1051722055.db2.gz WSGRDESUWIDEES-UHFFFAOYSA-N 1 3 341.543 4.046 20 10 EICDHO CC[C@H]([NH2+]Cc1ccccc1C[N@H+](C)C(C)C)c1ccccc1[O-] ZINC000155130667 1020277080 /nfs/dbraw/zinc/27/70/80/1020277080.db2.gz NOPCHZDRSNAURX-FQEVSTJZSA-N 1 3 326.484 4.473 20 10 EICDHO CC[C@H]([NH2+]Cc1ccccc1C[N@@H+](C)C(C)C)c1ccccc1[O-] ZINC000155130667 1020277093 /nfs/dbraw/zinc/27/70/93/1020277093.db2.gz NOPCHZDRSNAURX-FQEVSTJZSA-N 1 3 326.484 4.473 20 10 EICDHO CC[C@@H]([NH2+]Cc1cccc(C[N@H+](C)C(C)C)c1)c1ccccc1[O-] ZINC000155384452 1020561517 /nfs/dbraw/zinc/56/15/17/1020561517.db2.gz MGGHOJKQDMHZJJ-HXUWFJFHSA-N 1 3 326.484 4.473 20 10 EICDHO CC[C@@H]([NH2+]Cc1cccc(C[N@@H+](C)C(C)C)c1)c1ccccc1[O-] ZINC000155384452 1020561526 /nfs/dbraw/zinc/56/15/26/1020561526.db2.gz MGGHOJKQDMHZJJ-HXUWFJFHSA-N 1 3 326.484 4.473 20 10 EICDHO Cc1c2ccccc2n(C)c1CN[C@@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000423086090 1037943753 /nfs/dbraw/zinc/94/37/53/1037943753.db2.gz MJLXSNVIAQPNSA-QUCCMNQESA-N 1 3 333.479 4.070 20 10 EICDHO Cc1c2ccccc2n(C)c1CN[C@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000423086089 1037944262 /nfs/dbraw/zinc/94/42/62/1037944262.db2.gz MJLXSNVIAQPNSA-ICSRJNTNSA-N 1 3 333.479 4.070 20 10 EICDHO Cc1cc(Cl)cc([C@@H](C)[NH2+]Cc2cccc(C[NH+](C)C)c2)c1[O-] ZINC000808673717 1048046676 /nfs/dbraw/zinc/04/66/76/1048046676.db2.gz ICGGLNHSWICBAW-CQSZACIVSA-N 1 3 332.875 4.266 20 10 EICDHO CC[NH+](CC)Cc1cccc(C[NH2+][C@H](C)c2cc(F)ccc2[O-])c1 ZINC000185062339 1052389072 /nfs/dbraw/zinc/38/90/72/1052389072.db2.gz FBKBZLKKCHWYBA-OAHLLOKOSA-N 1 3 330.447 4.224 20 10 EICDHO CC(C)(C)N1CCC([NH2+]Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000236645631 1023396375 /nfs/dbraw/zinc/39/63/75/1023396375.db2.gz CXOQADQDSKPSHV-UHFFFAOYSA-N 1 3 329.532 4.029 20 10 EICDHO C[C@@H](CCCC[NH3+])[NH2+][C@@H](CCc1ccccc1)c1ccccc1[O-] ZINC000817975745 1049076054 /nfs/dbraw/zinc/07/60/54/1049076054.db2.gz ATWCWMBUVCBNTO-PXNSSMCTSA-N 1 3 326.484 4.173 20 10 EICDHO Cc1cc(Cl)cc([C@@H](C)[NH2+][C@@H](CCC[NH3+])c2ccccc2)c1[O-] ZINC000817984411 1049080684 /nfs/dbraw/zinc/08/06/84/1049080684.db2.gz XUYHSHCXQQEQJJ-KDOFPFPSSA-N 1 3 332.875 4.485 20 10 EICDHO CC[C@H](NC[C@@H]1CCC[N@H+](CC(C)C)C1)c1ccc(N(C)C)cc1 ZINC000773074662 1049564532 /nfs/dbraw/zinc/56/45/32/1049564532.db2.gz GYQNUYMWLKFRTM-RXVVDRJESA-N 1 3 331.548 4.161 20 10 EICDHO CC[C@H](NC[C@@H]1CCC[N@@H+](CC(C)C)C1)c1ccc(N(C)C)cc1 ZINC000773074662 1049564548 /nfs/dbraw/zinc/56/45/48/1049564548.db2.gz GYQNUYMWLKFRTM-RXVVDRJESA-N 1 3 331.548 4.161 20 10 EICDHO CC[N@@H+]1CC[C@H](N(C)Cc2ccc(N3CCCCC3)c(C)c2)C[C@@H]1C ZINC001191418180 1051452855 /nfs/dbraw/zinc/45/28/55/1051452855.db2.gz SDYYPGLDVCZTJY-FPOVZHCZSA-N 1 3 343.559 4.290 20 10 EICDHO CC[N@H+]1CC[C@H](N(C)Cc2ccc(N3CCCCC3)c(C)c2)C[C@@H]1C ZINC001191418180 1051452859 /nfs/dbraw/zinc/45/28/59/1051452859.db2.gz SDYYPGLDVCZTJY-FPOVZHCZSA-N 1 3 343.559 4.290 20 10 EICDHO C[C@H]([NH2+]CC(C)(C)CN(C)C)c1ccc(N2CCCCC2)c(F)c1 ZINC000764431872 1053099984 /nfs/dbraw/zinc/09/99/84/1053099984.db2.gz HGNZTBVMRNFONI-INIZCTEOSA-N 1 3 335.511 4.054 20 10 EICDHO CC[C@H]([NH2+]Cc1cccc(C[N@H+](C)CC)c1)c1ccc(C)cc1[O-] ZINC000794807892 1053417799 /nfs/dbraw/zinc/41/77/99/1053417799.db2.gz MVRBPZLJHXTZCW-FQEVSTJZSA-N 1 3 326.484 4.393 20 10 EICDHO CC[C@H]([NH2+]Cc1cccc(C[N@@H+](C)CC)c1)c1ccc(C)cc1[O-] ZINC000794807892 1053417805 /nfs/dbraw/zinc/41/78/05/1053417805.db2.gz MVRBPZLJHXTZCW-FQEVSTJZSA-N 1 3 326.484 4.393 20 10 EICDHO C[C@@H]1C[C@H](NCc2ccc(N(C)C3CCCCC3)cc2)CC[N@@H+]1C ZINC000765446020 1053550915 /nfs/dbraw/zinc/55/09/15/1053550915.db2.gz PEYOMIRFWBLMGB-IEBWSBKVSA-N 1 3 329.532 4.028 20 10 EICDHO C[C@@H]1C[C@H](NCc2ccc(N(C)C3CCCCC3)cc2)CC[N@H+]1C ZINC000765446020 1053550930 /nfs/dbraw/zinc/55/09/30/1053550930.db2.gz PEYOMIRFWBLMGB-IEBWSBKVSA-N 1 3 329.532 4.028 20 10 EICDHO C[C@@H](NC[C@H]1CCCC[N@H+](C)C1)c1ccc(N2CCCCC2)cc1 ZINC000858490321 1054499180 /nfs/dbraw/zinc/49/91/80/1054499180.db2.gz GFFVUCAMFHEDHI-RTBURBONSA-N 1 3 329.532 4.059 20 10 EICDHO C[C@@H](NC[C@H]1CCCC[N@@H+](C)C1)c1ccc(N2CCCCC2)cc1 ZINC000858490321 1054499186 /nfs/dbraw/zinc/49/91/86/1054499186.db2.gz GFFVUCAMFHEDHI-RTBURBONSA-N 1 3 329.532 4.059 20 10 EICDHO C[C@@H]([NH2+]C[C@H]1CCCCN(C)C1)c1ccc(N2CCCCC2)cc1 ZINC000858490321 1054499191 /nfs/dbraw/zinc/49/91/91/1054499191.db2.gz GFFVUCAMFHEDHI-RTBURBONSA-N 1 3 329.532 4.059 20 10 EICDHO CC[C@H](NC[C@H]1CCC[N@H+](CC(C)C)C1)c1ccc(N(C)C)cc1 ZINC000773074658 1049565690 /nfs/dbraw/zinc/56/56/90/1049565690.db2.gz GYQNUYMWLKFRTM-NQIIRXRSSA-N 1 3 331.548 4.161 20 10 EICDHO CC[C@H](NC[C@H]1CCC[N@@H+](CC(C)C)C1)c1ccc(N(C)C)cc1 ZINC000773074658 1049565702 /nfs/dbraw/zinc/56/57/02/1049565702.db2.gz GYQNUYMWLKFRTM-NQIIRXRSSA-N 1 3 331.548 4.161 20 10 EICDHO Cc1cc(CN2CC[C@@H](C[NH+]3CCCCC3)C2)c(O)c(C(C)(C)C)c1 ZINC000742169107 1058528290 /nfs/dbraw/zinc/52/82/90/1058528290.db2.gz NTAAUMFCQLNCOQ-SFHVURJKSA-N 1 3 344.543 4.306 20 10 EICDHO