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)c1[nH+]c2c(n1C)CCN(C(=O)[C@H](C)c1cccs1)C2 ZINC000159986217 197377923 /nfs/dbraw/zinc/37/79/23/197377923.db2.gz UAAQEEFWBOPMNR-GFCCVEGCSA-N 1 2 317.458 3.293 10 70 DGIELO CC[N@H+](CCc1nccs1)Cc1noc(-c2ccccc2)n1 ZINC000159397659 197350926 /nfs/dbraw/zinc/35/09/26/197350926.db2.gz HGQYRAOSFFTZEV-UHFFFAOYSA-N 1 2 314.414 3.258 10 70 DGIELO CC[N@@H+](CCc1nccs1)Cc1noc(-c2ccccc2)n1 ZINC000159397659 197350927 /nfs/dbraw/zinc/35/09/27/197350927.db2.gz HGQYRAOSFFTZEV-UHFFFAOYSA-N 1 2 314.414 3.258 10 70 DGIELO Cc1cccc([C@H]2CCC[N@@H+]2Cc2nc(-c3ccoc3)no2)n1 ZINC000160056259 432704539 /nfs/dbraw/zinc/70/45/39/432704539.db2.gz HBPNEBLFIHWHIB-OAHLLOKOSA-N 1 2 310.357 3.370 10 70 DGIELO Cc1cccc([C@H]2CCC[N@H+]2Cc2nc(-c3ccoc3)no2)n1 ZINC000160056259 432704543 /nfs/dbraw/zinc/70/45/43/432704543.db2.gz HBPNEBLFIHWHIB-OAHLLOKOSA-N 1 2 310.357 3.370 10 70 DGIELO CCCCc1nc(C[N@H+](CCc2nccs2)C(C)C)no1 ZINC000159912206 529038004 /nfs/dbraw/zinc/03/80/04/529038004.db2.gz ARHUCPQCHQAOKD-UHFFFAOYSA-N 1 2 308.451 3.322 10 70 DGIELO CCCCc1nc(C[N@@H+](CCc2nccs2)C(C)C)no1 ZINC000159912206 529038009 /nfs/dbraw/zinc/03/80/09/529038009.db2.gz ARHUCPQCHQAOKD-UHFFFAOYSA-N 1 2 308.451 3.322 10 70 DGIELO CN(C)c1cccc(C[N@H+](C)Cc2nc(-c3ccoc3)no2)c1 ZINC000159810343 529789050 /nfs/dbraw/zinc/78/90/50/529789050.db2.gz JOEUXQGXZUREAB-UHFFFAOYSA-N 1 2 312.373 3.028 10 70 DGIELO CN(C)c1cccc(C[N@@H+](C)Cc2nc(-c3ccoc3)no2)c1 ZINC000159810343 529789052 /nfs/dbraw/zinc/78/90/52/529789052.db2.gz JOEUXQGXZUREAB-UHFFFAOYSA-N 1 2 312.373 3.028 10 70 DGIELO CC[C@@H]([NH2+][C@H](C)C(=O)Nc1nc(C)c(C)s1)c1nccs1 ZINC000161122112 400738657 /nfs/dbraw/zinc/73/86/57/400738657.db2.gz SSLOANINMQVVMX-MWLCHTKSSA-N 1 2 324.475 3.284 10 70 DGIELO Cc1cc(N[C@H]2CCO[C@H](C3CC3)C2)nc(-c2cccnc2)[nH+]1 ZINC000160463768 432723029 /nfs/dbraw/zinc/72/30/29/432723029.db2.gz DUQANFYVBYYVLO-HOTGVXAUSA-N 1 2 310.401 3.217 10 70 DGIELO Cn1c(CSc2[nH+]cc3ccccn32)nnc1-c1ccccc1 ZINC000160990024 432752549 /nfs/dbraw/zinc/75/25/49/432752549.db2.gz SRUCCJZWVRRWBM-UHFFFAOYSA-N 1 2 321.409 3.422 10 70 DGIELO C[N@@H+]1CCc2nc(NC(=O)[C@H]3C[C@@H]3C3CCCCC3)sc2C1 ZINC000161282696 432771709 /nfs/dbraw/zinc/77/17/09/432771709.db2.gz XSSFMOJIZVECSX-OLZOCXBDSA-N 1 2 319.474 3.286 10 70 DGIELO C[N@H+]1CCc2nc(NC(=O)[C@H]3C[C@@H]3C3CCCCC3)sc2C1 ZINC000161282696 432771713 /nfs/dbraw/zinc/77/17/13/432771713.db2.gz XSSFMOJIZVECSX-OLZOCXBDSA-N 1 2 319.474 3.286 10 70 DGIELO Cc1ncc(C[N@@H+]2CCCC[C@@H]2c2nnc3n2CCCC3)s1 ZINC000160608048 432730115 /nfs/dbraw/zinc/73/01/15/432730115.db2.gz OMGVKXWTHNUDBX-CQSZACIVSA-N 1 2 317.462 3.107 10 70 DGIELO Cc1ncc(C[N@H+]2CCCC[C@@H]2c2nnc3n2CCCC3)s1 ZINC000160608048 432730121 /nfs/dbraw/zinc/73/01/21/432730121.db2.gz OMGVKXWTHNUDBX-CQSZACIVSA-N 1 2 317.462 3.107 10 70 DGIELO Clc1cccnc1N1CC[C@@H](Nc2cc[nH+]c(C3CC3)n2)C1 ZINC000160757206 432739462 /nfs/dbraw/zinc/73/94/62/432739462.db2.gz CHYWPTSCFSBUDP-GFCCVEGCSA-N 1 2 315.808 3.093 10 70 DGIELO Cc1cc(C[N@H+](C)C[C@@H]2CC(c3ccc(Cl)cc3)=NO2)no1 ZINC000159743117 186139481 /nfs/dbraw/zinc/13/94/81/186139481.db2.gz LYYDARZHEUDAAV-HNNXBMFYSA-N 1 2 319.792 3.261 10 70 DGIELO Cc1cc(C[N@@H+](C)C[C@@H]2CC(c3ccc(Cl)cc3)=NO2)no1 ZINC000159743117 186139483 /nfs/dbraw/zinc/13/94/83/186139483.db2.gz LYYDARZHEUDAAV-HNNXBMFYSA-N 1 2 319.792 3.261 10 70 DGIELO Cc1cc(N[C@@H](CO)CC(C)(C)C)nc(-c2ccncc2)[nH+]1 ZINC000161432978 228252570 /nfs/dbraw/zinc/25/25/70/228252570.db2.gz DJWQTQPTYNUGOJ-CQSZACIVSA-N 1 2 300.406 3.056 10 70 DGIELO Cc1cc(-c2nnc(C[N@@H+]3CCO[C@@H]4CCCC[C@@H]43)o2)c(C)o1 ZINC000161457245 228252748 /nfs/dbraw/zinc/25/27/48/228252748.db2.gz FYFWOSYRIMFABY-LSDHHAIUSA-N 1 2 317.389 3.090 10 70 DGIELO Cc1cc(-c2nnc(C[N@H+]3CCO[C@@H]4CCCC[C@@H]43)o2)c(C)o1 ZINC000161457245 228252750 /nfs/dbraw/zinc/25/27/50/228252750.db2.gz FYFWOSYRIMFABY-LSDHHAIUSA-N 1 2 317.389 3.090 10 70 DGIELO Fc1cccc(C[N@@H+]2CCCC[C@@H]2c2nnc3n2CCCC3)c1 ZINC000160592303 432730206 /nfs/dbraw/zinc/73/02/06/432730206.db2.gz OCNNXSABOWHWMD-MRXNPFEDSA-N 1 2 314.408 3.481 10 70 DGIELO Fc1cccc(C[N@H+]2CCCC[C@@H]2c2nnc3n2CCCC3)c1 ZINC000160592303 432730211 /nfs/dbraw/zinc/73/02/11/432730211.db2.gz OCNNXSABOWHWMD-MRXNPFEDSA-N 1 2 314.408 3.481 10 70 DGIELO O[C@@H](C[C@@H]1COCC[N@@H+]1Cc1ccccc1Cl)c1ccco1 ZINC000159549988 186126375 /nfs/dbraw/zinc/12/63/75/186126375.db2.gz QZNDGUCNEYEOPW-ZBFHGGJFSA-N 1 2 321.804 3.258 10 70 DGIELO O[C@@H](C[C@@H]1COCC[N@H+]1Cc1ccccc1Cl)c1ccco1 ZINC000159549988 186126376 /nfs/dbraw/zinc/12/63/76/186126376.db2.gz QZNDGUCNEYEOPW-ZBFHGGJFSA-N 1 2 321.804 3.258 10 70 DGIELO CC[C@H]([NH2+][C@@H](C)C(=O)Nc1nc(C)c(C)s1)c1nccs1 ZINC000161121735 400739198 /nfs/dbraw/zinc/73/91/98/400739198.db2.gz SSLOANINMQVVMX-ONGXEEELSA-N 1 2 324.475 3.284 10 70 DGIELO CCc1noc([C@@H](C)[NH2+][C@H](C)c2ccccc2-n2cccn2)n1 ZINC000160839396 164591144 /nfs/dbraw/zinc/59/11/44/164591144.db2.gz KMASCVUKAHIQDO-CHWSQXEVSA-N 1 2 311.389 3.230 10 70 DGIELO CCc1oc(C(=O)N2CC[N@H+](C)C[C@H]2c2ccccc2)cc1C ZINC000159784103 432695003 /nfs/dbraw/zinc/69/50/03/432695003.db2.gz KOFJDTGYSMXWCY-INIZCTEOSA-N 1 2 312.413 3.279 10 70 DGIELO CCc1oc(C(=O)N2CC[N@@H+](C)C[C@H]2c2ccccc2)cc1C ZINC000159784103 432695005 /nfs/dbraw/zinc/69/50/05/432695005.db2.gz KOFJDTGYSMXWCY-INIZCTEOSA-N 1 2 312.413 3.279 10 70 DGIELO CCc1oc(C(=O)N2CC[N@H+](C)C[C@@H]2c2ccccc2)cc1C ZINC000159783988 432696419 /nfs/dbraw/zinc/69/64/19/432696419.db2.gz KOFJDTGYSMXWCY-MRXNPFEDSA-N 1 2 312.413 3.279 10 70 DGIELO CCc1oc(C(=O)N2CC[N@@H+](C)C[C@@H]2c2ccccc2)cc1C ZINC000159783988 432696423 /nfs/dbraw/zinc/69/64/23/432696423.db2.gz KOFJDTGYSMXWCY-MRXNPFEDSA-N 1 2 312.413 3.279 10 70 DGIELO CC(C)(C)c1nc(CSCC[NH+]2CCOCC2)cs1 ZINC000159985419 432702325 /nfs/dbraw/zinc/70/23/25/432702325.db2.gz NNZNJYHMKJLSIF-UHFFFAOYSA-N 1 2 300.493 3.006 10 70 DGIELO Fc1ccccc1C[N@@H+]1CCCC[C@H]1c1nnc2n1CCCC2 ZINC000160603545 303136679 /nfs/dbraw/zinc/13/66/79/303136679.db2.gz BGRSNNBXIQJAFG-INIZCTEOSA-N 1 2 314.408 3.481 10 70 DGIELO Fc1ccccc1C[N@H+]1CCCC[C@H]1c1nnc2n1CCCC2 ZINC000160603545 303136681 /nfs/dbraw/zinc/13/66/81/303136681.db2.gz BGRSNNBXIQJAFG-INIZCTEOSA-N 1 2 314.408 3.481 10 70 DGIELO Cc1cc(N[C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)nc(-c2ccncc2)[nH+]1 ZINC000160086302 432706704 /nfs/dbraw/zinc/70/67/04/432706704.db2.gz LZEDIBKLBNTXPM-UAGQMJEPSA-N 1 2 322.412 3.217 10 70 DGIELO C[C@](O)(CNc1cc[nH+]c(C2CC2)n1)c1ccccc1Cl ZINC000160186584 432710037 /nfs/dbraw/zinc/71/00/37/432710037.db2.gz GKJGDNZDWDAULO-INIZCTEOSA-N 1 2 303.793 3.327 10 70 DGIELO Cc1cc(N[C@H](CO)CC(C)(C)C)nc(-c2ccncc2)[nH+]1 ZINC000161432858 228252548 /nfs/dbraw/zinc/25/25/48/228252548.db2.gz DJWQTQPTYNUGOJ-AWEZNQCLSA-N 1 2 300.406 3.056 10 70 DGIELO CC(C)[N@H+](CCc1nccs1)Cc1noc(C(C)(C)C)n1 ZINC000159781497 528916545 /nfs/dbraw/zinc/91/65/45/528916545.db2.gz KDQXYEOXJIBLSA-UHFFFAOYSA-N 1 2 308.451 3.277 10 70 DGIELO CC(C)[N@@H+](CCc1nccs1)Cc1noc(C(C)(C)C)n1 ZINC000159781497 528916549 /nfs/dbraw/zinc/91/65/49/528916549.db2.gz KDQXYEOXJIBLSA-UHFFFAOYSA-N 1 2 308.451 3.277 10 70 DGIELO Cc1cc(N[C@@H]2CCO[C@H](C3CC3)C2)nc(-c2cccnc2)[nH+]1 ZINC000160463632 197412632 /nfs/dbraw/zinc/41/26/32/197412632.db2.gz DUQANFYVBYYVLO-CVEARBPZSA-N 1 2 310.401 3.217 10 70 DGIELO Cc1cccc([C@H]2CCC[N@@H+]2CC(=O)Nc2ccccc2F)n1 ZINC000159954204 432702721 /nfs/dbraw/zinc/70/27/21/432702721.db2.gz NGGDMCBKDWKTTI-QGZVFWFLSA-N 1 2 313.376 3.305 10 70 DGIELO Cc1cccc([C@H]2CCC[N@H+]2CC(=O)Nc2ccccc2F)n1 ZINC000159954204 432702728 /nfs/dbraw/zinc/70/27/28/432702728.db2.gz NGGDMCBKDWKTTI-QGZVFWFLSA-N 1 2 313.376 3.305 10 70 DGIELO C[C@@](O)(CNc1cc[nH+]c(C2CC2)n1)c1ccccc1Cl ZINC000160186458 432710108 /nfs/dbraw/zinc/71/01/08/432710108.db2.gz GKJGDNZDWDAULO-MRXNPFEDSA-N 1 2 303.793 3.327 10 70 DGIELO CC(C)n1cc[nH+]c1CS(=O)(=O)Cc1ccc(Cl)cc1 ZINC000161209320 432767187 /nfs/dbraw/zinc/76/71/87/432767187.db2.gz CLSMVEROJQDWSC-UHFFFAOYSA-N 1 2 312.822 3.232 10 70 DGIELO Cc1cccc([C@H]2CCC[N@@H+]2Cc2cnn(-c3ccccc3)n2)n1 ZINC000159854639 432699212 /nfs/dbraw/zinc/69/92/12/432699212.db2.gz BTHYXPPOVWJTGU-LJQANCHMSA-N 1 2 319.412 3.308 10 70 DGIELO Cc1cccc([C@H]2CCC[N@H+]2Cc2cnn(-c3ccccc3)n2)n1 ZINC000159854639 432699216 /nfs/dbraw/zinc/69/92/16/432699216.db2.gz BTHYXPPOVWJTGU-LJQANCHMSA-N 1 2 319.412 3.308 10 70 DGIELO Cc1cccc([C@@H]2CCC[N@@H+]2Cc2nc(-c3ccoc3)no2)n1 ZINC000160056099 432705468 /nfs/dbraw/zinc/70/54/68/432705468.db2.gz HBPNEBLFIHWHIB-HNNXBMFYSA-N 1 2 310.357 3.370 10 70 DGIELO Cc1cccc([C@@H]2CCC[N@H+]2Cc2nc(-c3ccoc3)no2)n1 ZINC000160056099 432705472 /nfs/dbraw/zinc/70/54/72/432705472.db2.gz HBPNEBLFIHWHIB-HNNXBMFYSA-N 1 2 310.357 3.370 10 70 DGIELO C[C@@H]1CO[C@H](c2ccccc2)C[N@@H+]1Cc1cnc2ccccn12 ZINC000159635447 432690096 /nfs/dbraw/zinc/69/00/96/432690096.db2.gz UYHCQNZXNWOQLZ-QAPCUYQASA-N 1 2 307.397 3.296 10 70 DGIELO C[C@@H]1CO[C@H](c2ccccc2)C[N@H+]1Cc1cnc2ccccn12 ZINC000159635447 432690098 /nfs/dbraw/zinc/69/00/98/432690098.db2.gz UYHCQNZXNWOQLZ-QAPCUYQASA-N 1 2 307.397 3.296 10 70 DGIELO CC[C@H]([NH2+][C@@H](C(=O)NC1CC1)c1ccccc1)c1nccs1 ZINC000161179511 432764931 /nfs/dbraw/zinc/76/49/31/432764931.db2.gz YYEVOAMXKKXHTF-LSDHHAIUSA-N 1 2 315.442 3.204 10 70 DGIELO CCn1ccnc1C[N@@H+]1CCC[C@@H]1c1cc(OC)ccc1OC ZINC000160711413 432737136 /nfs/dbraw/zinc/73/71/36/432737136.db2.gz SVEUSIXRQMCVMY-MRXNPFEDSA-N 1 2 315.417 3.257 10 70 DGIELO CCn1ccnc1C[N@H+]1CCC[C@@H]1c1cc(OC)ccc1OC ZINC000160711413 432737141 /nfs/dbraw/zinc/73/71/41/432737141.db2.gz SVEUSIXRQMCVMY-MRXNPFEDSA-N 1 2 315.417 3.257 10 70 DGIELO Cc1ccccc1C1CC[NH+](Cc2nsc(N(C)C)n2)CC1 ZINC000160041489 292805795 /nfs/dbraw/zinc/80/57/95/292805795.db2.gz URDVLXPOHTZPTQ-UHFFFAOYSA-N 1 2 316.474 3.292 10 70 DGIELO Cc1cc(S(=O)(=O)Nc2cc[nH+]cc2C)c(Cl)cc1F ZINC000159716314 432693097 /nfs/dbraw/zinc/69/30/97/432693097.db2.gz ZOSSNZRVCYPBGS-UHFFFAOYSA-N 1 2 314.769 3.292 10 70 DGIELO Cc1cc(N[C@@H]2[C@H]3CCO[C@@H]3C23CCC3)nc(-c2ccncc2)[nH+]1 ZINC000160086552 432705998 /nfs/dbraw/zinc/70/59/98/432705998.db2.gz LZEDIBKLBNTXPM-OIISXLGYSA-N 1 2 322.412 3.217 10 70 DGIELO CC[C@H]([NH2+][C@@H](C)C(=O)Nc1ccc(Cl)cn1)c1nccs1 ZINC000161171697 432763515 /nfs/dbraw/zinc/76/35/15/432763515.db2.gz SGLZFCGCPNYFGU-ONGXEEELSA-N 1 2 324.837 3.259 10 70 DGIELO CC[C@H]([NH2+][C@H](C(=O)NC1CC1)c1ccccc1)c1nccs1 ZINC000161179251 432765598 /nfs/dbraw/zinc/76/55/98/432765598.db2.gz YYEVOAMXKKXHTF-GJZGRUSLSA-N 1 2 315.442 3.204 10 70 DGIELO C[C@H]1CO[C@@H](c2ccccc2)C[N@@H+]1Cc1cnc2ccccn12 ZINC000159635859 432690201 /nfs/dbraw/zinc/69/02/01/432690201.db2.gz UYHCQNZXNWOQLZ-MAUKXSAKSA-N 1 2 307.397 3.296 10 70 DGIELO C[C@H]1CO[C@@H](c2ccccc2)C[N@H+]1Cc1cnc2ccccn12 ZINC000159635859 432690204 /nfs/dbraw/zinc/69/02/04/432690204.db2.gz UYHCQNZXNWOQLZ-MAUKXSAKSA-N 1 2 307.397 3.296 10 70 DGIELO Fc1cccc(C[N@@H+]2CCCC[C@H]2c2nnc3n2CCCC3)c1 ZINC000160592441 303134344 /nfs/dbraw/zinc/13/43/44/303134344.db2.gz OCNNXSABOWHWMD-INIZCTEOSA-N 1 2 314.408 3.481 10 70 DGIELO Fc1cccc(C[N@H+]2CCCC[C@H]2c2nnc3n2CCCC3)c1 ZINC000160592441 303134346 /nfs/dbraw/zinc/13/43/46/303134346.db2.gz OCNNXSABOWHWMD-INIZCTEOSA-N 1 2 314.408 3.481 10 70 DGIELO CC(C)(C)c1csc([C@@H]2C[N@H+](CCOCC3CC3)CCO2)n1 ZINC000160044244 526837613 /nfs/dbraw/zinc/83/76/13/526837613.db2.gz DZBDVEWHQRGACD-AWEZNQCLSA-N 1 2 324.490 3.241 10 70 DGIELO CC(C)(C)c1csc([C@@H]2C[N@@H+](CCOCC3CC3)CCO2)n1 ZINC000160044244 526837618 /nfs/dbraw/zinc/83/76/18/526837618.db2.gz DZBDVEWHQRGACD-AWEZNQCLSA-N 1 2 324.490 3.241 10 70 DGIELO CC(C)(C)c1csc([C@H]2C[N@H+](CCOCC3CC3)CCO2)n1 ZINC000160044379 526837827 /nfs/dbraw/zinc/83/78/27/526837827.db2.gz DZBDVEWHQRGACD-CQSZACIVSA-N 1 2 324.490 3.241 10 70 DGIELO CC(C)(C)c1csc([C@H]2C[N@@H+](CCOCC3CC3)CCO2)n1 ZINC000160044379 526837833 /nfs/dbraw/zinc/83/78/33/526837833.db2.gz DZBDVEWHQRGACD-CQSZACIVSA-N 1 2 324.490 3.241 10 70 DGIELO COc1cccc(F)c1[C@@H](C)[NH2+]CC(=O)Nc1ccccc1 ZINC000160787855 292821753 /nfs/dbraw/zinc/82/17/53/292821753.db2.gz NQVQCPDMWAIKER-GFCCVEGCSA-N 1 2 302.349 3.124 10 70 DGIELO CC(=O)Nc1nc(C[N@@H+](CCc2nccs2)C(C)C)cs1 ZINC000159955001 432702843 /nfs/dbraw/zinc/70/28/43/432702843.db2.gz FUPVUCSLNUURNG-UHFFFAOYSA-N 1 2 324.475 3.011 10 70 DGIELO CC(=O)Nc1nc(C[N@H+](CCc2nccs2)C(C)C)cs1 ZINC000159955001 432702845 /nfs/dbraw/zinc/70/28/45/432702845.db2.gz FUPVUCSLNUURNG-UHFFFAOYSA-N 1 2 324.475 3.011 10 70 DGIELO CCC[C@@H]([NH2+][C@H](C)c1ccccc1-n1cccn1)C(=O)OCC ZINC000160841061 292823068 /nfs/dbraw/zinc/82/30/68/292823068.db2.gz OUDQHTHWDSUXOI-GDBMZVCRSA-N 1 2 315.417 3.255 10 70 DGIELO CC[N@H+](CCc1nccs1)Cc1nc(C2CCCC2)no1 ZINC000159441112 528610295 /nfs/dbraw/zinc/61/02/95/528610295.db2.gz JBGPAYLXSSIDIF-UHFFFAOYSA-N 1 2 306.435 3.248 10 70 DGIELO CC[N@@H+](CCc1nccs1)Cc1nc(C2CCCC2)no1 ZINC000159441112 528610299 /nfs/dbraw/zinc/61/02/99/528610299.db2.gz JBGPAYLXSSIDIF-UHFFFAOYSA-N 1 2 306.435 3.248 10 70 DGIELO CC[N@H+](CCc1nccs1)Cc1csc([C@H](C)OC)n1 ZINC000159419660 197352046 /nfs/dbraw/zinc/35/20/46/197352046.db2.gz OCXMYEJPXVJMRQ-NSHDSACASA-N 1 2 311.476 3.372 10 70 DGIELO CC[N@@H+](CCc1nccs1)Cc1csc([C@H](C)OC)n1 ZINC000159419660 197352048 /nfs/dbraw/zinc/35/20/48/197352048.db2.gz OCXMYEJPXVJMRQ-NSHDSACASA-N 1 2 311.476 3.372 10 70 DGIELO Clc1cccnc1N1CC[C@H](Nc2cc[nH+]c(C3CC3)n2)C1 ZINC000160757078 432739560 /nfs/dbraw/zinc/73/95/60/432739560.db2.gz CHYWPTSCFSBUDP-LBPRGKRZSA-N 1 2 315.808 3.093 10 70 DGIELO CC(C)c1nc(N[C@@H]2CCN(c3ncccc3Cl)C2)cc[nH+]1 ZINC000160823502 432744188 /nfs/dbraw/zinc/74/41/88/432744188.db2.gz SOICIWBHBKGXCO-GFCCVEGCSA-N 1 2 317.824 3.339 10 70 DGIELO COc1cc(OC)c(C[N@H+](C)Cc2ccc(C)o2)c(OC)c1 ZINC000160865957 432745709 /nfs/dbraw/zinc/74/57/09/432745709.db2.gz PNZIJHCCQWNJTR-UHFFFAOYSA-N 1 2 305.374 3.246 10 70 DGIELO COc1cc(OC)c(C[N@@H+](C)Cc2ccc(C)o2)c(OC)c1 ZINC000160865957 432745712 /nfs/dbraw/zinc/74/57/12/432745712.db2.gz PNZIJHCCQWNJTR-UHFFFAOYSA-N 1 2 305.374 3.246 10 70 DGIELO CC[C@H]([NH2+][C@@H](C)c1nc2ccccc2c(=O)[nH]1)c1nccs1 ZINC000161065105 292827471 /nfs/dbraw/zinc/82/74/71/292827471.db2.gz GMARQCHYBZCPGR-JQWIXIFHSA-N 1 2 314.414 3.182 10 70 DGIELO CC(C)[C@@H](O)CC(=O)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000159782467 197364791 /nfs/dbraw/zinc/36/47/91/197364791.db2.gz QULPJTCTEKBLOS-INIZCTEOSA-N 1 2 300.358 3.219 10 70 DGIELO CC[N@H+](CCC(C)=O)CC(=O)Nc1c(Cl)cccc1Cl ZINC000159445241 197353973 /nfs/dbraw/zinc/35/39/73/197353973.db2.gz KOAGEWUVSNYBGQ-UHFFFAOYSA-N 1 2 317.216 3.233 10 70 DGIELO CC[N@@H+](CCC(C)=O)CC(=O)Nc1c(Cl)cccc1Cl ZINC000159445241 197353975 /nfs/dbraw/zinc/35/39/75/197353975.db2.gz KOAGEWUVSNYBGQ-UHFFFAOYSA-N 1 2 317.216 3.233 10 70 DGIELO CCc1noc([C@H](C)[NH2+][C@H](C)c2ccccc2-n2cccn2)n1 ZINC000160839509 432743737 /nfs/dbraw/zinc/74/37/37/432743737.db2.gz KMASCVUKAHIQDO-OLZOCXBDSA-N 1 2 311.389 3.230 10 70 DGIELO CC[C@@H](C)CS(=O)(=O)N(Cc1ccccc1)c1cc[nH+]cc1 ZINC000161077427 292828200 /nfs/dbraw/zinc/82/82/00/292828200.db2.gz PBMIUMMQYICJFT-OAHLLOKOSA-N 1 2 318.442 3.464 10 70 DGIELO Clc1cc(Cl)cc(OCC[NH+]2CCN(C3CC3)CC2)c1 ZINC000159718509 197361480 /nfs/dbraw/zinc/36/14/80/197361480.db2.gz VMQOYWWQPXZPLN-UHFFFAOYSA-N 1 2 315.244 3.152 10 70 DGIELO Cc1nc(C[C@H]2CCC[N@@H+](Cc3csc(C(C)C)n3)C2)no1 ZINC000161050016 432756752 /nfs/dbraw/zinc/75/67/52/432756752.db2.gz RVLSOAAOHPFFFO-CYBMUJFWSA-N 1 2 320.462 3.413 10 70 DGIELO Cc1nc(C[C@H]2CCC[N@H+](Cc3csc(C(C)C)n3)C2)no1 ZINC000161050016 432756756 /nfs/dbraw/zinc/75/67/56/432756756.db2.gz RVLSOAAOHPFFFO-CYBMUJFWSA-N 1 2 320.462 3.413 10 70 DGIELO CCn1ccnc1C[N@@H+]1CCC[C@H]1c1cc(OC)ccc1OC ZINC000160711536 432737221 /nfs/dbraw/zinc/73/72/21/432737221.db2.gz SVEUSIXRQMCVMY-INIZCTEOSA-N 1 2 315.417 3.257 10 70 DGIELO CCn1ccnc1C[N@H+]1CCC[C@H]1c1cc(OC)ccc1OC ZINC000160711536 432737223 /nfs/dbraw/zinc/73/72/23/432737223.db2.gz SVEUSIXRQMCVMY-INIZCTEOSA-N 1 2 315.417 3.257 10 70 DGIELO CC/C=C(/C)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000160770193 432740727 /nfs/dbraw/zinc/74/07/27/432740727.db2.gz XVBSXUSNTCDGQH-WSSYIRIYSA-N 1 2 308.372 3.183 10 70 DGIELO CC/C=C(/C)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000160770193 432740730 /nfs/dbraw/zinc/74/07/30/432740730.db2.gz XVBSXUSNTCDGQH-WSSYIRIYSA-N 1 2 308.372 3.183 10 70 DGIELO CC[C@@H]([NH2+][C@H](C)c1nc2ccccc2c(=O)[nH]1)c1nccs1 ZINC000161065374 292827332 /nfs/dbraw/zinc/82/73/32/292827332.db2.gz GMARQCHYBZCPGR-ZYHUDNBSSA-N 1 2 314.414 3.182 10 70 DGIELO CC(C)[C@H](O)CC(=O)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000159782341 197364462 /nfs/dbraw/zinc/36/44/62/197364462.db2.gz QULPJTCTEKBLOS-MRXNPFEDSA-N 1 2 300.358 3.219 10 70 DGIELO Cc1cccc([C@@H]2CCC[N@@H+]2Cc2cnn(-c3ccccc3)n2)n1 ZINC000159854526 432699568 /nfs/dbraw/zinc/69/95/68/432699568.db2.gz BTHYXPPOVWJTGU-IBGZPJMESA-N 1 2 319.412 3.308 10 70 DGIELO Cc1cccc([C@@H]2CCC[N@H+]2Cc2cnn(-c3ccccc3)n2)n1 ZINC000159854526 432699570 /nfs/dbraw/zinc/69/95/70/432699570.db2.gz BTHYXPPOVWJTGU-IBGZPJMESA-N 1 2 319.412 3.308 10 70 DGIELO CC[C@@H]([NH2+][C@@H](C)c1nc2ccccc2c(=O)[nH]1)c1nccs1 ZINC000161065190 432758263 /nfs/dbraw/zinc/75/82/63/432758263.db2.gz GMARQCHYBZCPGR-CMPLNLGQSA-N 1 2 314.414 3.182 10 70 DGIELO C[N@@H+]1CCc2nc(NC(=O)[C@@H]3C[C@@H]3C3CCCCC3)sc2C1 ZINC000161282546 290255136 /nfs/dbraw/zinc/25/51/36/290255136.db2.gz XSSFMOJIZVECSX-CHWSQXEVSA-N 1 2 319.474 3.286 10 70 DGIELO C[N@H+]1CCc2nc(NC(=O)[C@@H]3C[C@@H]3C3CCCCC3)sc2C1 ZINC000161282546 290255138 /nfs/dbraw/zinc/25/51/38/290255138.db2.gz XSSFMOJIZVECSX-CHWSQXEVSA-N 1 2 319.474 3.286 10 70 DGIELO C[C@@H]1CC[C@@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)c2ccccc21 ZINC000159721035 277779610 /nfs/dbraw/zinc/77/96/10/277779610.db2.gz VYRYKWZXAXRZMK-CKEIUWERSA-N 1 2 309.413 3.200 10 70 DGIELO C[C@H]1CO[C@H](c2ccccc2)C[N@@H+]1Cc1cnc2ccccn12 ZINC000159635584 432690500 /nfs/dbraw/zinc/69/05/00/432690500.db2.gz UYHCQNZXNWOQLZ-YJBOKZPZSA-N 1 2 307.397 3.296 10 70 DGIELO C[C@H]1CO[C@H](c2ccccc2)C[N@H+]1Cc1cnc2ccccn12 ZINC000159635584 432690505 /nfs/dbraw/zinc/69/05/05/432690505.db2.gz UYHCQNZXNWOQLZ-YJBOKZPZSA-N 1 2 307.397 3.296 10 70 DGIELO CC(C)n1cc[nH+]c1CS(=O)(=O)Cc1ccccc1Cl ZINC000161210245 432766446 /nfs/dbraw/zinc/76/64/46/432766446.db2.gz BIODMZNURDNSFD-UHFFFAOYSA-N 1 2 312.822 3.232 10 70 DGIELO Cc1ccc(/C=C/CC(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)cc1 ZINC000161290124 432771932 /nfs/dbraw/zinc/77/19/32/432771932.db2.gz BQMSVTPHQGIRCM-WRFKIARRSA-N 1 2 321.424 3.188 10 70 DGIELO Cn1c(C[N@@H+]2CCc3ccccc3C2)nnc1-c1ccccc1 ZINC000160667998 432733712 /nfs/dbraw/zinc/73/37/12/432733712.db2.gz TXHBQOZCISLYJD-UHFFFAOYSA-N 1 2 304.397 3.040 10 70 DGIELO Cn1c(C[N@H+]2CCc3ccccc3C2)nnc1-c1ccccc1 ZINC000160667998 432733715 /nfs/dbraw/zinc/73/37/15/432733715.db2.gz TXHBQOZCISLYJD-UHFFFAOYSA-N 1 2 304.397 3.040 10 70 DGIELO Cc1cc(C)c2c(c1)[C@H]([NH2+]CCCN1CCCC1=O)CCCO2 ZINC000159558984 186127371 /nfs/dbraw/zinc/12/73/71/186127371.db2.gz OUBIBCMTJKYJDS-QGZVFWFLSA-N 1 2 316.445 3.119 10 70 DGIELO COc1ccc(C[N@H+](C)Cc2nnc(-c3ccccc3)n2C)cc1 ZINC000160682794 432736137 /nfs/dbraw/zinc/73/61/37/432736137.db2.gz CFKJCYVGNXVKCS-UHFFFAOYSA-N 1 2 322.412 3.123 10 70 DGIELO COc1ccc(C[N@@H+](C)Cc2nnc(-c3ccccc3)n2C)cc1 ZINC000160682794 432736138 /nfs/dbraw/zinc/73/61/38/432736138.db2.gz CFKJCYVGNXVKCS-UHFFFAOYSA-N 1 2 322.412 3.123 10 70 DGIELO CCc1noc([C@H](C)[NH2+][C@@H](C)c2ccccc2-n2cccn2)n1 ZINC000160839279 432744448 /nfs/dbraw/zinc/74/44/48/432744448.db2.gz KMASCVUKAHIQDO-STQMWFEESA-N 1 2 311.389 3.230 10 70 DGIELO CC[C@@H]([NH2+][C@@H](C)C(=O)Nc1nc(C)c(C)s1)c1nccs1 ZINC000161121858 400739045 /nfs/dbraw/zinc/73/90/45/400739045.db2.gz SSLOANINMQVVMX-GXSJLCMTSA-N 1 2 324.475 3.284 10 70 DGIELO C[C@H](C(=O)N(C)c1ccc[nH+]c1N(C)C)c1c(F)cccc1F ZINC000160376334 432718173 /nfs/dbraw/zinc/71/81/73/432718173.db2.gz YYXVOHAGOQCGJX-NSHDSACASA-N 1 2 319.355 3.192 10 70 DGIELO CCc1cc(=O)[nH]c(C[N@H+](Cc2ccco2)C2CCCC2)n1 ZINC000160904551 432748935 /nfs/dbraw/zinc/74/89/35/432748935.db2.gz GWWAPNVENGMSOQ-UHFFFAOYSA-N 1 2 301.390 3.282 10 70 DGIELO CCc1cc(=O)[nH]c(C[N@@H+](Cc2ccco2)C2CCCC2)n1 ZINC000160904551 432748938 /nfs/dbraw/zinc/74/89/38/432748938.db2.gz GWWAPNVENGMSOQ-UHFFFAOYSA-N 1 2 301.390 3.282 10 70 DGIELO CCOC(=O)[C@@H]1CCCC[N@@H+]1Cc1cnc(CC(C)C)s1 ZINC000161285424 432772044 /nfs/dbraw/zinc/77/20/44/432772044.db2.gz BFFZDQLZFATVHD-AWEZNQCLSA-N 1 2 310.463 3.259 10 70 DGIELO CCOC(=O)[C@@H]1CCCC[N@H+]1Cc1cnc(CC(C)C)s1 ZINC000161285424 432772048 /nfs/dbraw/zinc/77/20/48/432772048.db2.gz BFFZDQLZFATVHD-AWEZNQCLSA-N 1 2 310.463 3.259 10 70 DGIELO C[C@@H]1CC[C@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)c2ccccc21 ZINC000159720842 432693695 /nfs/dbraw/zinc/69/36/95/432693695.db2.gz VYRYKWZXAXRZMK-CPUCHLNUSA-N 1 2 309.413 3.200 10 70 DGIELO CC(C)n1cc[nH+]c1CS(=O)(=O)C/C=C/c1ccccc1 ZINC000161220859 432766792 /nfs/dbraw/zinc/76/67/92/432766792.db2.gz ZTFXWPDUYZWOPF-RMKNXTFCSA-N 1 2 304.415 3.092 10 70 DGIELO Cc1cc(N(C)CCC2CCOCC2)nc(-c2ccncc2)[nH+]1 ZINC000160537152 292817161 /nfs/dbraw/zinc/81/71/61/292817161.db2.gz VSZVZVZPOGQNPU-UHFFFAOYSA-N 1 2 312.417 3.100 10 70 DGIELO Fc1ccc(C[N@@H+]2CCCC[C@H]2c2nnc3n2CCCC3)cc1 ZINC000160602485 303129792 /nfs/dbraw/zinc/12/97/92/303129792.db2.gz CJKNMRDINHHEAT-INIZCTEOSA-N 1 2 314.408 3.481 10 70 DGIELO Fc1ccc(C[N@H+]2CCCC[C@H]2c2nnc3n2CCCC3)cc1 ZINC000160602485 303129795 /nfs/dbraw/zinc/12/97/95/303129795.db2.gz CJKNMRDINHHEAT-INIZCTEOSA-N 1 2 314.408 3.481 10 70 DGIELO CCC[C@H]([NH2+][C@@H](C)c1ccccc1-n1cccn1)C(=O)OCC ZINC000160840659 292823001 /nfs/dbraw/zinc/82/30/01/292823001.db2.gz OUDQHTHWDSUXOI-HOCLYGCPSA-N 1 2 315.417 3.255 10 70 DGIELO Cc1cc(N(C)CCC2CCOCC2)nc(-c2cccnc2)[nH+]1 ZINC000160540774 432725961 /nfs/dbraw/zinc/72/59/61/432725961.db2.gz RIWPVTUQSOMZNY-UHFFFAOYSA-N 1 2 312.417 3.100 10 70 DGIELO CCC[C@@H]([NH2+][C@@H](C)c1ccccc1-n1cccn1)C(=O)OCC ZINC000160840792 432746537 /nfs/dbraw/zinc/74/65/37/432746537.db2.gz OUDQHTHWDSUXOI-GOEBONIOSA-N 1 2 315.417 3.255 10 70 DGIELO CC[C@H]([NH2+][C@H](C)C(=O)Nc1ccc(Cl)cn1)c1nccs1 ZINC000161171931 432763312 /nfs/dbraw/zinc/76/33/12/432763312.db2.gz SGLZFCGCPNYFGU-KOLCDFICSA-N 1 2 324.837 3.259 10 70 DGIELO C[C@@H](c1nc(Cc2ccccc2)no1)[N@@H+]1CCS[C@@H](C)C1 ZINC000160585189 432730146 /nfs/dbraw/zinc/73/01/46/432730146.db2.gz NBNAMGXMJLSPNK-STQMWFEESA-N 1 2 303.431 3.159 10 70 DGIELO C[C@@H](c1nc(Cc2ccccc2)no1)[N@H+]1CCS[C@@H](C)C1 ZINC000160585189 432730151 /nfs/dbraw/zinc/73/01/51/432730151.db2.gz NBNAMGXMJLSPNK-STQMWFEESA-N 1 2 303.431 3.159 10 70 DGIELO COc1cccc(F)c1[C@H](C)[NH2+]CC(=O)Nc1ccccc1 ZINC000160787728 432740463 /nfs/dbraw/zinc/74/04/63/432740463.db2.gz NQVQCPDMWAIKER-LBPRGKRZSA-N 1 2 302.349 3.124 10 70 DGIELO CC[C@](C)(O)C[N@@H+]1CCO[C@H](c2ccc(F)c(Cl)c2)C1 ZINC000160859419 432746325 /nfs/dbraw/zinc/74/63/25/432746325.db2.gz FIJDUFNAKBYYEH-GJZGRUSLSA-N 1 2 301.789 3.013 10 70 DGIELO CC[C@](C)(O)C[N@H+]1CCO[C@H](c2ccc(F)c(Cl)c2)C1 ZINC000160859419 432746328 /nfs/dbraw/zinc/74/63/28/432746328.db2.gz FIJDUFNAKBYYEH-GJZGRUSLSA-N 1 2 301.789 3.013 10 70 DGIELO COc1cccc(CCC[N@@H+]2CCO[C@@H](c3nccs3)C2)c1 ZINC000160110848 197386187 /nfs/dbraw/zinc/38/61/87/197386187.db2.gz JKGAQEDOGWCKNE-MRXNPFEDSA-N 1 2 318.442 3.158 10 70 DGIELO COc1cccc(CCC[N@H+]2CCO[C@@H](c3nccs3)C2)c1 ZINC000160110848 197386189 /nfs/dbraw/zinc/38/61/89/197386189.db2.gz JKGAQEDOGWCKNE-MRXNPFEDSA-N 1 2 318.442 3.158 10 70 DGIELO CC[C@H]([NH2+][C@H](C)C(=O)Nc1nc(C)c(C)s1)c1nccs1 ZINC000161121983 400738679 /nfs/dbraw/zinc/73/86/79/400738679.db2.gz SSLOANINMQVVMX-KOLCDFICSA-N 1 2 324.475 3.284 10 70 DGIELO C[C@@H]1CO[C@@H](c2ccccc2)C[N@@H+]1Cc1cnc2ccccn12 ZINC000159635713 288388450 /nfs/dbraw/zinc/38/84/50/288388450.db2.gz UYHCQNZXNWOQLZ-CRAIPNDOSA-N 1 2 307.397 3.296 10 70 DGIELO C[C@@H]1CO[C@@H](c2ccccc2)C[N@H+]1Cc1cnc2ccccn12 ZINC000159635713 288388451 /nfs/dbraw/zinc/38/84/51/288388451.db2.gz UYHCQNZXNWOQLZ-CRAIPNDOSA-N 1 2 307.397 3.296 10 70 DGIELO CCOc1ccccc1C[N@@H+]1CCO[C@@H](c2nccs2)C1 ZINC000161437653 432779560 /nfs/dbraw/zinc/77/95/60/432779560.db2.gz RFYDIZQATXMUSI-OAHLLOKOSA-N 1 2 304.415 3.115 10 70 DGIELO CCOc1ccccc1C[N@H+]1CCO[C@@H](c2nccs2)C1 ZINC000161437653 432779565 /nfs/dbraw/zinc/77/95/65/432779565.db2.gz RFYDIZQATXMUSI-OAHLLOKOSA-N 1 2 304.415 3.115 10 70 DGIELO Cc1ncc(C[N@@H+]2CCCC[C@H]2c2nnc3n2CCCC3)s1 ZINC000160608174 432730528 /nfs/dbraw/zinc/73/05/28/432730528.db2.gz OMGVKXWTHNUDBX-AWEZNQCLSA-N 1 2 317.462 3.107 10 70 DGIELO Cc1ncc(C[N@H+]2CCCC[C@H]2c2nnc3n2CCCC3)s1 ZINC000160608174 432730530 /nfs/dbraw/zinc/73/05/30/432730530.db2.gz OMGVKXWTHNUDBX-AWEZNQCLSA-N 1 2 317.462 3.107 10 70 DGIELO CC[C@@](C)(O)C[N@@H+]1CCO[C@H](c2ccc(F)c(Cl)c2)C1 ZINC000160859536 432745354 /nfs/dbraw/zinc/74/53/54/432745354.db2.gz FIJDUFNAKBYYEH-LSDHHAIUSA-N 1 2 301.789 3.013 10 70 DGIELO CC[C@@](C)(O)C[N@H+]1CCO[C@H](c2ccc(F)c(Cl)c2)C1 ZINC000160859536 432745356 /nfs/dbraw/zinc/74/53/56/432745356.db2.gz FIJDUFNAKBYYEH-LSDHHAIUSA-N 1 2 301.789 3.013 10 70 DGIELO Cc1cccc([C@@H]2CCC[N@@H+]2CC(=O)Nc2ccccc2F)n1 ZINC000159954069 432703452 /nfs/dbraw/zinc/70/34/52/432703452.db2.gz NGGDMCBKDWKTTI-KRWDZBQOSA-N 1 2 313.376 3.305 10 70 DGIELO Cc1cccc([C@@H]2CCC[N@H+]2CC(=O)Nc2ccccc2F)n1 ZINC000159954069 432703453 /nfs/dbraw/zinc/70/34/53/432703453.db2.gz NGGDMCBKDWKTTI-KRWDZBQOSA-N 1 2 313.376 3.305 10 70 DGIELO CCOC(=O)[C@H]1CCCC[N@@H+]1Cc1cnc(CC(C)C)s1 ZINC000161285527 432771251 /nfs/dbraw/zinc/77/12/51/432771251.db2.gz BFFZDQLZFATVHD-CQSZACIVSA-N 1 2 310.463 3.259 10 70 DGIELO CCOC(=O)[C@H]1CCCC[N@H+]1Cc1cnc(CC(C)C)s1 ZINC000161285527 432771255 /nfs/dbraw/zinc/77/12/55/432771255.db2.gz BFFZDQLZFATVHD-CQSZACIVSA-N 1 2 310.463 3.259 10 70 DGIELO CC[C@H]([NH2+][C@H](C)c1nc2ccccc2c(=O)[nH]1)c1nccs1 ZINC000161065287 432757968 /nfs/dbraw/zinc/75/79/68/432757968.db2.gz GMARQCHYBZCPGR-PWSUYJOCSA-N 1 2 314.414 3.182 10 70 DGIELO COc1cccc(CCC[N@@H+]2CCO[C@H](c3nccs3)C2)c1 ZINC000160110708 197386571 /nfs/dbraw/zinc/38/65/71/197386571.db2.gz JKGAQEDOGWCKNE-INIZCTEOSA-N 1 2 318.442 3.158 10 70 DGIELO COc1cccc(CCC[N@H+]2CCO[C@H](c3nccs3)C2)c1 ZINC000160110708 197386573 /nfs/dbraw/zinc/38/65/73/197386573.db2.gz JKGAQEDOGWCKNE-INIZCTEOSA-N 1 2 318.442 3.158 10 70 DGIELO CC[N@H+](CCCNC(=O)[C@H](C)C1CCOCC1)c1ccccc1 ZINC000160406563 432718570 /nfs/dbraw/zinc/71/85/70/432718570.db2.gz YENQJLKAKDELNW-MRXNPFEDSA-N 1 2 318.461 3.082 10 70 DGIELO CC[N@@H+](CCCNC(=O)[C@H](C)C1CCOCC1)c1ccccc1 ZINC000160406563 432718574 /nfs/dbraw/zinc/71/85/74/432718574.db2.gz YENQJLKAKDELNW-MRXNPFEDSA-N 1 2 318.461 3.082 10 70 DGIELO CCOc1ccccc1C[N@@H+]1CCO[C@H](c2nccs2)C1 ZINC000161437506 432779382 /nfs/dbraw/zinc/77/93/82/432779382.db2.gz RFYDIZQATXMUSI-HNNXBMFYSA-N 1 2 304.415 3.115 10 70 DGIELO CCOc1ccccc1C[N@H+]1CCO[C@H](c2nccs2)C1 ZINC000161437506 432779387 /nfs/dbraw/zinc/77/93/87/432779387.db2.gz RFYDIZQATXMUSI-HNNXBMFYSA-N 1 2 304.415 3.115 10 70 DGIELO CC(C)c1nc(N[C@H]2CCN(c3ncccc3Cl)C2)cc[nH+]1 ZINC000160823641 432744670 /nfs/dbraw/zinc/74/46/70/432744670.db2.gz SOICIWBHBKGXCO-LBPRGKRZSA-N 1 2 317.824 3.339 10 70 DGIELO CC[C@@H]([NH2+][C@@H](C(=O)NC1CC1)c1ccccc1)c1nccs1 ZINC000161179639 292830179 /nfs/dbraw/zinc/83/01/79/292830179.db2.gz YYEVOAMXKKXHTF-HUUCEWRRSA-N 1 2 315.442 3.204 10 70 DGIELO Fc1ccccc1C[N@@H+]1CCCC[C@@H]1c1nnc2n1CCCC2 ZINC000160603407 303136818 /nfs/dbraw/zinc/13/68/18/303136818.db2.gz BGRSNNBXIQJAFG-MRXNPFEDSA-N 1 2 314.408 3.481 10 70 DGIELO Fc1ccccc1C[N@H+]1CCCC[C@@H]1c1nnc2n1CCCC2 ZINC000160603407 303136819 /nfs/dbraw/zinc/13/68/19/303136819.db2.gz BGRSNNBXIQJAFG-MRXNPFEDSA-N 1 2 314.408 3.481 10 70 DGIELO CC[N@H+](CCc1nccs1)Cc1csc([C@@H](C)OC)n1 ZINC000159419509 197352347 /nfs/dbraw/zinc/35/23/47/197352347.db2.gz OCXMYEJPXVJMRQ-LLVKDONJSA-N 1 2 311.476 3.372 10 70 DGIELO CC[N@@H+](CCc1nccs1)Cc1csc([C@@H](C)OC)n1 ZINC000159419509 197352348 /nfs/dbraw/zinc/35/23/48/197352348.db2.gz OCXMYEJPXVJMRQ-LLVKDONJSA-N 1 2 311.476 3.372 10 70 DGIELO CC[N@H+](CCCNC(=O)[C@@H](C)C1CCOCC1)c1ccccc1 ZINC000160406425 432719550 /nfs/dbraw/zinc/71/95/50/432719550.db2.gz YENQJLKAKDELNW-INIZCTEOSA-N 1 2 318.461 3.082 10 70 DGIELO CC[N@@H+](CCCNC(=O)[C@@H](C)C1CCOCC1)c1ccccc1 ZINC000160406425 432719553 /nfs/dbraw/zinc/71/95/53/432719553.db2.gz YENQJLKAKDELNW-INIZCTEOSA-N 1 2 318.461 3.082 10 70 DGIELO Cc1cc(N[C@@H]2CCO[C@@H](C3CC3)C2)nc(-c2cccnc2)[nH+]1 ZINC000160463897 432722413 /nfs/dbraw/zinc/72/24/13/432722413.db2.gz DUQANFYVBYYVLO-HZPDHXFCSA-N 1 2 310.401 3.217 10 70 DGIELO Cc1cc(C[N@H+](C)C[C@H]2CC(c3ccc(Cl)cc3)=NO2)no1 ZINC000159743253 186139383 /nfs/dbraw/zinc/13/93/83/186139383.db2.gz LYYDARZHEUDAAV-OAHLLOKOSA-N 1 2 319.792 3.261 10 70 DGIELO Cc1cc(C[N@@H+](C)C[C@H]2CC(c3ccc(Cl)cc3)=NO2)no1 ZINC000159743253 186139384 /nfs/dbraw/zinc/13/93/84/186139384.db2.gz LYYDARZHEUDAAV-OAHLLOKOSA-N 1 2 319.792 3.261 10 70 DGIELO CCC[N@H+](CC(=O)Nc1ccccc1OC)Cc1cncs1 ZINC000160893033 432747337 /nfs/dbraw/zinc/74/73/37/432747337.db2.gz QHMGJJVGWFYKGL-UHFFFAOYSA-N 1 2 319.430 3.002 10 70 DGIELO CCC[N@@H+](CC(=O)Nc1ccccc1OC)Cc1cncs1 ZINC000160893033 432747340 /nfs/dbraw/zinc/74/73/40/432747340.db2.gz QHMGJJVGWFYKGL-UHFFFAOYSA-N 1 2 319.430 3.002 10 70 DGIELO Cc1nn(-c2ccccc2C)c(C)c1CN(C)Cc1[nH+]ccn1C ZINC000160838993 400736769 /nfs/dbraw/zinc/73/67/69/400736769.db2.gz BCRJGZDPUBXCEY-UHFFFAOYSA-N 1 2 323.444 3.163 10 70 DGIELO CN(CCCn1cc[nH+]c1)c1ccnc2c(F)cc(F)cc12 ZINC000160013460 432705405 /nfs/dbraw/zinc/70/54/05/432705405.db2.gz VNZIOJHOKAYEMQ-UHFFFAOYSA-N 1 2 302.328 3.236 10 70 DGIELO Cc1cc(N[C@H]2CCO[C@@H](C3CC3)C2)nc(-c2cccnc2)[nH+]1 ZINC000160464030 432723392 /nfs/dbraw/zinc/72/33/92/432723392.db2.gz DUQANFYVBYYVLO-JKSUJKDBSA-N 1 2 310.401 3.217 10 70 DGIELO C[C@@H](C(=O)N(C)c1ccc[nH+]c1N(C)C)c1c(F)cccc1F ZINC000160376464 432717713 /nfs/dbraw/zinc/71/77/13/432717713.db2.gz YYXVOHAGOQCGJX-LLVKDONJSA-N 1 2 319.355 3.192 10 70 DGIELO CC[C@H](C)CS(=O)(=O)N(Cc1ccccc1)c1cc[nH+]cc1 ZINC000161077551 432758663 /nfs/dbraw/zinc/75/86/63/432758663.db2.gz PBMIUMMQYICJFT-HNNXBMFYSA-N 1 2 318.442 3.464 10 70 DGIELO CC[C@@H]([NH2+][C@H](C(=O)NC1CC1)c1ccccc1)c1nccs1 ZINC000161179385 432764593 /nfs/dbraw/zinc/76/45/93/432764593.db2.gz YYEVOAMXKKXHTF-CABCVRRESA-N 1 2 315.442 3.204 10 70 DGIELO Cc1ccc(/C=C/CC(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)cc1 ZINC000161289999 432772262 /nfs/dbraw/zinc/77/22/62/432772262.db2.gz BQMSVTPHQGIRCM-SHCNBLLESA-N 1 2 321.424 3.188 10 70 DGIELO Cn1c(C[N@H+](C)Cc2cccc(F)c2)nnc1-c1ccccc1 ZINC000160685973 432735710 /nfs/dbraw/zinc/73/57/10/432735710.db2.gz BWOIHUISBOQNOU-UHFFFAOYSA-N 1 2 310.376 3.253 10 70 DGIELO Cn1c(C[N@@H+](C)Cc2cccc(F)c2)nnc1-c1ccccc1 ZINC000160685973 432735714 /nfs/dbraw/zinc/73/57/14/432735714.db2.gz BWOIHUISBOQNOU-UHFFFAOYSA-N 1 2 310.376 3.253 10 70 DGIELO CCc1noc([C@@H](C)[NH2+][C@@H](C)c2ccccc2-n2cccn2)n1 ZINC000160839147 432743835 /nfs/dbraw/zinc/74/38/35/432743835.db2.gz KMASCVUKAHIQDO-QWHCGFSZSA-N 1 2 311.389 3.230 10 70 DGIELO CC[C@@H]([NH2+][C@H](C)C(=O)Nc1ccc(Cl)cn1)c1nccs1 ZINC000161172049 292830150 /nfs/dbraw/zinc/83/01/50/292830150.db2.gz SGLZFCGCPNYFGU-MWLCHTKSSA-N 1 2 324.837 3.259 10 70 DGIELO Fc1ccc(C[N@@H+]2CCCC[C@@H]2c2nnc3n2CCCC3)cc1 ZINC000160602375 432729852 /nfs/dbraw/zinc/72/98/52/432729852.db2.gz CJKNMRDINHHEAT-MRXNPFEDSA-N 1 2 314.408 3.481 10 70 DGIELO Fc1ccc(C[N@H+]2CCCC[C@@H]2c2nnc3n2CCCC3)cc1 ZINC000160602375 432729856 /nfs/dbraw/zinc/72/98/56/432729856.db2.gz CJKNMRDINHHEAT-MRXNPFEDSA-N 1 2 314.408 3.481 10 70 DGIELO O[C@@H](C[C@H]1COCC[N@@H+]1Cc1ccccc1Cl)c1ccco1 ZINC000159549840 186126278 /nfs/dbraw/zinc/12/62/78/186126278.db2.gz QZNDGUCNEYEOPW-HOCLYGCPSA-N 1 2 321.804 3.258 10 70 DGIELO O[C@@H](C[C@H]1COCC[N@H+]1Cc1ccccc1Cl)c1ccco1 ZINC000159549840 186126280 /nfs/dbraw/zinc/12/62/80/186126280.db2.gz QZNDGUCNEYEOPW-HOCLYGCPSA-N 1 2 321.804 3.258 10 70 DGIELO CC(C)c1[nH+]c2c(n1C)CCN(C(=O)[C@@H](C)c1cccs1)C2 ZINC000159986080 197377701 /nfs/dbraw/zinc/37/77/01/197377701.db2.gz UAAQEEFWBOPMNR-LBPRGKRZSA-N 1 2 317.458 3.293 10 70 DGIELO Cc1cc(-c2nnc(C[N@@H+]3CCO[C@H]4CCCC[C@@H]43)o2)c(C)o1 ZINC000161457117 228252302 /nfs/dbraw/zinc/25/23/02/228252302.db2.gz FYFWOSYRIMFABY-GJZGRUSLSA-N 1 2 317.389 3.090 10 70 DGIELO Cc1cc(-c2nnc(C[N@H+]3CCO[C@H]4CCCC[C@@H]43)o2)c(C)o1 ZINC000161457117 228252304 /nfs/dbraw/zinc/25/23/04/228252304.db2.gz FYFWOSYRIMFABY-GJZGRUSLSA-N 1 2 317.389 3.090 10 70 DGIELO Cc1nc(C[C@@H]2CCC[N@@H+](Cc3csc(C(C)C)n3)C2)no1 ZINC000161049915 432756288 /nfs/dbraw/zinc/75/62/88/432756288.db2.gz RVLSOAAOHPFFFO-ZDUSSCGKSA-N 1 2 320.462 3.413 10 70 DGIELO Cc1nc(C[C@@H]2CCC[N@H+](Cc3csc(C(C)C)n3)C2)no1 ZINC000161049915 432756291 /nfs/dbraw/zinc/75/62/91/432756291.db2.gz RVLSOAAOHPFFFO-ZDUSSCGKSA-N 1 2 320.462 3.413 10 70 DGIELO CC[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc(Cl)cn1)c1nccs1 ZINC000161171817 432763990 /nfs/dbraw/zinc/76/39/90/432763990.db2.gz SGLZFCGCPNYFGU-GXSJLCMTSA-N 1 2 324.837 3.259 10 70 DGIELO CCC[C@H]([NH2+][C@H](C)c1ccccc1-n1cccn1)C(=O)OCC ZINC000160840936 292823335 /nfs/dbraw/zinc/82/33/35/292823335.db2.gz OUDQHTHWDSUXOI-ZBFHGGJFSA-N 1 2 315.417 3.255 10 70 DGIELO