smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)[C@@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2C#N)[C@@H]1C)[NH+](C)C ZINC001436481971 1087968488 /nfs/dbraw/zinc/96/84/88/1087968488.db2.gz QMGBVDRQPHLKKY-MNEFBYGVSA-N 2 2 342.487 2.223 10 30 EEEELP CC(C)[C@@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2C#N)[C@@H]1C)[NH+](C)C ZINC001436481971 1087968508 /nfs/dbraw/zinc/96/85/08/1087968508.db2.gz QMGBVDRQPHLKKY-MNEFBYGVSA-N 2 2 342.487 2.223 10 30 EEEELP C=C(Cl)C[NH2+]C[C@](C)(NC(=O)[C@@H]1CCc2c[nH+]cn2C1)C1CC1 ZINC001444129227 1098666079 /nfs/dbraw/zinc/66/60/79/1098666079.db2.gz KRKSYEKIIIJULZ-DYVFJYSZSA-N 2 2 336.867 2.073 10 30 EEEELP C=C(C)CC[NH2+]C1(CNC(=O)[C@H]2CCn3cc[nH+]c3C2)CCCC1 ZINC001495924409 1101769180 /nfs/dbraw/zinc/76/91/80/1101769180.db2.gz SCGBJICHQPXANT-INIZCTEOSA-N 2 2 330.476 2.430 10 30 EEEELP C[C@H](C[NH2+]Cc1cccc(C#N)c1)N(C)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001496076814 1102016129 /nfs/dbraw/zinc/01/61/29/1102016129.db2.gz FOOLWIUCTUHYNC-KBRIMQKVSA-N 2 2 337.427 2.022 10 30 EEEELP C[C@H](C[NH2+]Cc1cccc(C#N)c1)N(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001496076814 1102016140 /nfs/dbraw/zinc/01/61/40/1102016140.db2.gz FOOLWIUCTUHYNC-KBRIMQKVSA-N 2 2 337.427 2.022 10 30 EEEELP C=CCOCC[NH2+][C@H]1CCC[C@H](NC(=O)c2cccc3[nH+]ccn32)C1 ZINC001480702305 1106916623 /nfs/dbraw/zinc/91/66/23/1106916623.db2.gz LHOFRWCGQKVUCJ-HOTGVXAUSA-N 2 2 342.443 2.168 10 30 EEEELP C=C(Cl)C[N@H+](CC1CC1)C1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001499529884 1112345600 /nfs/dbraw/zinc/34/56/00/1112345600.db2.gz JRBUMPBIEXIRPG-UHFFFAOYSA-N 2 2 336.867 2.339 10 30 EEEELP C=C(Cl)C[N@@H+](CC1CC1)C1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001499529884 1112345605 /nfs/dbraw/zinc/34/56/05/1112345605.db2.gz JRBUMPBIEXIRPG-UHFFFAOYSA-N 2 2 336.867 2.339 10 30 EEEELP C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@H](C(C)C)[NH+]1CCCCC1)O2 ZINC001502443087 1113685964 /nfs/dbraw/zinc/68/59/64/1113685964.db2.gz LDLUWEKJMCRAOT-MSOLQXFVSA-N 2 2 349.519 2.033 10 30 EEEELP C=CCS(=O)(=O)CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000272883991 201257746 /nfs/dbraw/zinc/25/77/46/201257746.db2.gz RCWLSDVBQFAHDF-FUHWJXTLSA-N 2 2 336.501 2.087 10 30 EEEELP C=CCS(=O)(=O)CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000272883991 201257752 /nfs/dbraw/zinc/25/77/52/201257752.db2.gz RCWLSDVBQFAHDF-FUHWJXTLSA-N 2 2 336.501 2.087 10 30 EEEELP C[NH+]1CCN([C@@H]2CCCC[N@H+](Cc3ccc(C#N)c(F)c3)C2)CC1 ZINC000192119018 160167273 /nfs/dbraw/zinc/16/72/73/160167273.db2.gz AHJXEEUAEPOVDP-GOSISDBHSA-N 2 2 330.451 2.299 10 30 EEEELP C[NH+]1CCN([C@@H]2CCCC[N@@H+](Cc3ccc(C#N)c(F)c3)C2)CC1 ZINC000192119018 160167274 /nfs/dbraw/zinc/16/72/74/160167274.db2.gz AHJXEEUAEPOVDP-GOSISDBHSA-N 2 2 330.451 2.299 10 30 EEEELP C[N@H+](Cc1cc(C#N)cs1)C1CC[NH+](CCn2cccn2)CC1 ZINC000121234268 463102549 /nfs/dbraw/zinc/10/25/49/463102549.db2.gz WPIPVRQJGAHTJH-UHFFFAOYSA-N 2 2 329.473 2.413 10 30 EEEELP C[N@@H+](Cc1cc(C#N)cs1)C1CC[NH+](CCn2cccn2)CC1 ZINC000121234268 463102555 /nfs/dbraw/zinc/10/25/55/463102555.db2.gz WPIPVRQJGAHTJH-UHFFFAOYSA-N 2 2 329.473 2.413 10 30 EEEELP O=C(NCc1cn2cc(Cl)ccc2[nH+]1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000329419868 465328321 /nfs/dbraw/zinc/32/83/21/465328321.db2.gz DZYUDLPNQOSYIT-AWEZNQCLSA-N 2 2 333.823 2.182 10 30 EEEELP O=C(NCc1cn2cc(Cl)ccc2[nH+]1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000329419868 465328330 /nfs/dbraw/zinc/32/83/30/465328330.db2.gz DZYUDLPNQOSYIT-AWEZNQCLSA-N 2 2 333.823 2.182 10 30 EEEELP C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000366535898 465786906 /nfs/dbraw/zinc/78/69/06/465786906.db2.gz PSAPWWOTWNRTAT-NSPNGIHDSA-N 2 2 346.519 2.333 10 30 EEEELP C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000366535898 465786908 /nfs/dbraw/zinc/78/69/08/465786908.db2.gz PSAPWWOTWNRTAT-NSPNGIHDSA-N 2 2 346.519 2.333 10 30 EEEELP C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000366535898 465786922 /nfs/dbraw/zinc/78/69/22/465786922.db2.gz PSAPWWOTWNRTAT-NSPNGIHDSA-N 2 2 346.519 2.333 10 30 EEEELP C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000366535898 465786929 /nfs/dbraw/zinc/78/69/29/465786929.db2.gz PSAPWWOTWNRTAT-NSPNGIHDSA-N 2 2 346.519 2.333 10 30 EEEELP C=C[C@@H]1OCC[C@H]1[NH2+][C@H](C)C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000576586714 468168162 /nfs/dbraw/zinc/16/81/62/468168162.db2.gz DGRLIHGWSSYQET-VMGRFDJRSA-N 2 2 326.400 2.337 10 30 EEEELP C[NH+]1CCC([N@@H+]2CC[C@@H](Nc3nc4ncccc4cc3C#N)C2)CC1 ZINC000596121587 469165476 /nfs/dbraw/zinc/16/54/76/469165476.db2.gz FSFQDGNJSONXJY-MRXNPFEDSA-N 2 2 336.443 2.082 10 30 EEEELP C[NH+]1CCC([N@H+]2CC[C@@H](Nc3nc4ncccc4cc3C#N)C2)CC1 ZINC000596121587 469165481 /nfs/dbraw/zinc/16/54/81/469165481.db2.gz FSFQDGNJSONXJY-MRXNPFEDSA-N 2 2 336.443 2.082 10 30 EEEELP C=CC[NH+](CC=C)[C@@H](CNC(=O)N[C@@H](C)c1[nH+]ccn1C)C(C)C ZINC000662101049 471985866 /nfs/dbraw/zinc/98/58/66/471985866.db2.gz QSSICWCCJJMYGN-HOTGVXAUSA-N 2 2 333.480 2.479 10 30 EEEELP C=CC[NH+]1CCC(N(CCC)C(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC001266388450 1176460623 /nfs/dbraw/zinc/46/06/23/1176460623.db2.gz DTHOINGCYSFHNY-UHFFFAOYSA-N 2 2 334.464 2.239 10 30 EEEELP C=C(C)CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001267586485 1179553720 /nfs/dbraw/zinc/55/37/20/1179553720.db2.gz SNKADDLQTJCXKX-IRXDYDNUSA-N 2 2 330.476 2.192 10 30 EEEELP C=C(C)CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001267586485 1179553727 /nfs/dbraw/zinc/55/37/27/1179553727.db2.gz SNKADDLQTJCXKX-IRXDYDNUSA-N 2 2 330.476 2.192 10 30 EEEELP CCCCCCC[N@@H+]1CCOC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1C ZINC001484596442 1191436631 /nfs/dbraw/zinc/43/66/31/1191436631.db2.gz GMMKFCFZWSKPGB-QZTJIDSGSA-N 2 2 339.524 2.258 10 30 EEEELP CCCCCCC[N@H+]1CCOC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1C ZINC001484596442 1191436633 /nfs/dbraw/zinc/43/66/33/1191436633.db2.gz GMMKFCFZWSKPGB-QZTJIDSGSA-N 2 2 339.524 2.258 10 30 EEEELP CCCCCCC[NH+]1CCOC[C@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001484596442 1191436635 /nfs/dbraw/zinc/43/66/35/1191436635.db2.gz GMMKFCFZWSKPGB-QZTJIDSGSA-N 2 2 339.524 2.258 10 30 EEEELP CCCCCCC[NH+]1CCOC[C@H]1CNC(=O)[C@H]1CCCC[N@H+]1C ZINC001484596442 1191436637 /nfs/dbraw/zinc/43/66/37/1191436637.db2.gz GMMKFCFZWSKPGB-QZTJIDSGSA-N 2 2 339.524 2.258 10 30 EEEELP C=CCCC[N@@H+]1CC[C@]2(NC(=O)CCc3c[nH+]cn3C)CCC[C@@H]12 ZINC001486162043 1193707106 /nfs/dbraw/zinc/70/71/06/1193707106.db2.gz YSYSSASGNKEQMH-IEBWSBKVSA-N 2 2 330.476 2.432 10 30 EEEELP C=CCCC[N@H+]1CC[C@]2(NC(=O)CCc3c[nH+]cn3C)CCC[C@@H]12 ZINC001486162043 1193707107 /nfs/dbraw/zinc/70/71/07/1193707107.db2.gz YSYSSASGNKEQMH-IEBWSBKVSA-N 2 2 330.476 2.432 10 30 EEEELP Cc1[nH+]c[nH]c1CC(=O)N[C@H](C)CCC[NH2+]Cc1ccc(C#N)cc1 ZINC001277348633 1302563249 /nfs/dbraw/zinc/56/32/49/1302563249.db2.gz CJEXVEUOJHMACM-CQSZACIVSA-N 2 2 339.443 2.207 10 30 EEEELP C=C(C)Cn1c(C[NH+]2CCCC2)nnc1N1CC[NH+]([C@@H](C)CC)CC1 ZINC001263287796 1322453028 /nfs/dbraw/zinc/45/30/28/1322453028.db2.gz UBCPXJNHZUCQSD-KRWDZBQOSA-N 2 2 346.523 2.371 10 30 EEEELP C=C(Br)C[N@H+]1CC[C@H](NC(=O)CCCC[NH+](C)C)[C@H]1C ZINC001264729026 1322793611 /nfs/dbraw/zinc/79/36/11/1322793611.db2.gz ZYSLGESARWQVIO-KGLIPLIRSA-N 2 2 346.313 2.206 10 30 EEEELP C=C(Br)C[N@@H+]1CC[C@H](NC(=O)CCCC[NH+](C)C)[C@H]1C ZINC001264729026 1322793612 /nfs/dbraw/zinc/79/36/12/1322793612.db2.gz ZYSLGESARWQVIO-KGLIPLIRSA-N 2 2 346.313 2.206 10 30 EEEELP C=C(C)C[N@H+](C)C[C@@H]1CCCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001265391080 1323120485 /nfs/dbraw/zinc/12/04/85/1323120485.db2.gz SZCIMKHORKVQQK-DLBZAZTESA-N 2 2 330.476 2.192 10 30 EEEELP C=C(C)C[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001265391080 1323120490 /nfs/dbraw/zinc/12/04/90/1323120490.db2.gz SZCIMKHORKVQQK-DLBZAZTESA-N 2 2 330.476 2.192 10 30 EEEELP CC#CC[NH2+]CC[C@@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001280140097 1324094629 /nfs/dbraw/zinc/09/46/29/1324094629.db2.gz MANVAMXWEUJRIU-QGZVFWFLSA-N 2 2 336.439 2.337 10 30 EEEELP C=CCOCC[N@@H+]1CCC[C@@H](NC(=O)c2cccc3[nH+]ccn32)CC1 ZINC001280742674 1324467675 /nfs/dbraw/zinc/46/76/75/1324467675.db2.gz APMWNEDNNGMLIZ-MRXNPFEDSA-N 2 2 342.443 2.121 10 30 EEEELP C=CCOCC[N@H+]1CCC[C@@H](NC(=O)c2cccc3[nH+]ccn32)CC1 ZINC001280742674 1324467677 /nfs/dbraw/zinc/46/76/77/1324467677.db2.gz APMWNEDNNGMLIZ-MRXNPFEDSA-N 2 2 342.443 2.121 10 30 EEEELP C=CC[NH2+][C@H](C)[C@H]1CCCCN1C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001316873105 1331943219 /nfs/dbraw/zinc/94/32/19/1331943219.db2.gz DVZXPSNLPXJSFA-NVXWUHKLSA-N 2 2 330.476 2.307 10 30 EEEELP CCCCCCC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001318456498 1332540552 /nfs/dbraw/zinc/54/05/52/1332540552.db2.gz BSSWGJVPWLXVAU-QZTJIDSGSA-N 2 2 339.524 2.210 10 30 EEEELP CCCCCCC[N@H+]1CC[C@@H](N(CC)C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001318456498 1332540553 /nfs/dbraw/zinc/54/05/53/1332540553.db2.gz BSSWGJVPWLXVAU-QZTJIDSGSA-N 2 2 339.524 2.210 10 30 EEEELP CCCCCCC[NH+]1CC[C@@H](N(CC)C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001318456498 1332540555 /nfs/dbraw/zinc/54/05/55/1332540555.db2.gz BSSWGJVPWLXVAU-QZTJIDSGSA-N 2 2 339.524 2.210 10 30 EEEELP CCCCCCC[NH+]1CC[C@@H](N(CC)C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001318456498 1332540558 /nfs/dbraw/zinc/54/05/58/1332540558.db2.gz BSSWGJVPWLXVAU-QZTJIDSGSA-N 2 2 339.524 2.210 10 30 EEEELP C[C@H](CCC[NH2+]CC#Cc1ccccc1)NC(=O)CCn1cc[nH+]c1 ZINC001330883758 1334921091 /nfs/dbraw/zinc/92/10/91/1334921091.db2.gz ROFRUABIKZSQNF-GOSISDBHSA-N 2 2 338.455 2.199 10 30 EEEELP C=CCCC[N@@H+]1CC[C@]2(NC(=O)CCc3[nH+]ccn3C)CCC[C@@H]12 ZINC001332100926 1335729557 /nfs/dbraw/zinc/72/95/57/1335729557.db2.gz QKBYMJFAKUFTFH-VQIMIIECSA-N 2 2 330.476 2.432 10 30 EEEELP C=CCCC[N@H+]1CC[C@]2(NC(=O)CCc3[nH+]ccn3C)CCC[C@@H]12 ZINC001332100926 1335729560 /nfs/dbraw/zinc/72/95/60/1335729560.db2.gz QKBYMJFAKUFTFH-VQIMIIECSA-N 2 2 330.476 2.432 10 30 EEEELP C=CCCC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)Cc3[nH]c[nH+]c3C)C[C@@H]21 ZINC001332146098 1335743384 /nfs/dbraw/zinc/74/33/84/1335743384.db2.gz LKMKRNYJVLEJQM-YESZJQIVSA-N 2 2 330.476 2.444 10 30 EEEELP C=C(C)CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)Cc3c[nH+]cn3C)C[C@H]21 ZINC001332146106 1335743406 /nfs/dbraw/zinc/74/34/06/1335743406.db2.gz LLVLWOWRIVUCIJ-KBAYOESNSA-N 2 2 330.476 2.146 10 30 EEEELP C=CCCC[N@@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001570066602 1343007908 /nfs/dbraw/zinc/00/79/08/1343007908.db2.gz QQMQZLUSPAXDFB-OALUTQOASA-N 2 2 349.519 2.177 10 30 EEEELP C=CCCC[N@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001570066602 1343007912 /nfs/dbraw/zinc/00/79/12/1343007912.db2.gz QQMQZLUSPAXDFB-OALUTQOASA-N 2 2 349.519 2.177 10 30 EEEELP C=CCCC[NH+]1CCOC[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001570066602 1343007916 /nfs/dbraw/zinc/00/79/16/1343007916.db2.gz QQMQZLUSPAXDFB-OALUTQOASA-N 2 2 349.519 2.177 10 30 EEEELP C=CCCC[NH+]1CCOC[C@@H]1CNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001570066602 1343007920 /nfs/dbraw/zinc/00/79/20/1343007920.db2.gz QQMQZLUSPAXDFB-OALUTQOASA-N 2 2 349.519 2.177 10 30 EEEELP CC#CC[NH2+][C@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)CC1(C)C ZINC001571561511 1343237877 /nfs/dbraw/zinc/23/78/77/1343237877.db2.gz XFDPAFFRCHLNEV-SFHVURJKSA-N 2 2 336.439 2.336 10 30 EEEELP C=CCC[NH2+]C[C@H](NC(=O)Cc1cn2c([nH+]1)CCCC2)C(C)(C)C ZINC001677253403 1357302241 /nfs/dbraw/zinc/30/22/41/1357302241.db2.gz SRZJTNZLFJUDOD-INIZCTEOSA-N 2 2 332.492 2.459 10 30 EEEELP C#CCC[NH2+]C[C@H](NC(=O)Cc1cn2cccc(C)c2[nH+]1)C(C)(C)C ZINC001677291671 1357308596 /nfs/dbraw/zinc/30/85/96/1357308596.db2.gz KZLPHKJACCNRQB-KRWDZBQOSA-N 2 2 340.471 2.329 10 30 EEEELP C=CCCCCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001661001084 1354571838 /nfs/dbraw/zinc/57/18/38/1354571838.db2.gz PYKSZDIEQNRZHM-IAGOWNOFSA-N 2 2 330.476 2.382 10 30 EEEELP C=CCCCCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001661001084 1354571840 /nfs/dbraw/zinc/57/18/40/1354571840.db2.gz PYKSZDIEQNRZHM-IAGOWNOFSA-N 2 2 330.476 2.382 10 30 EEEELP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCC[NH+](C)CC#Cc1ccc(F)cc1 ZINC001663180963 1354931974 /nfs/dbraw/zinc/93/19/74/1354931974.db2.gz UHYNLUSRCSOGJV-LJQANCHMSA-N 2 2 345.462 2.098 10 30 EEEELP CC(C)[N@H+]1CCC[C@@H]1C(=O)NCC[NH+](C)CC#Cc1ccc(F)cc1 ZINC001663180963 1354931976 /nfs/dbraw/zinc/93/19/76/1354931976.db2.gz UHYNLUSRCSOGJV-LJQANCHMSA-N 2 2 345.462 2.098 10 30 EEEELP CC(C)[NH+]1CCC[C@@H]1C(=O)NCC[N@H+](C)CC#Cc1ccc(F)cc1 ZINC001663180963 1354931978 /nfs/dbraw/zinc/93/19/78/1354931978.db2.gz UHYNLUSRCSOGJV-LJQANCHMSA-N 2 2 345.462 2.098 10 30 EEEELP CC(C)[NH+]1CCC[C@@H]1C(=O)NCC[N@@H+](C)CC#Cc1ccc(F)cc1 ZINC001663180963 1354931980 /nfs/dbraw/zinc/93/19/80/1354931980.db2.gz UHYNLUSRCSOGJV-LJQANCHMSA-N 2 2 345.462 2.098 10 30 EEEELP C=CCC[N@H+]1CC[C@@H](N(CCC)C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001664674072 1355208608 /nfs/dbraw/zinc/20/86/08/1355208608.db2.gz VZNDZSWORCSZCX-IAGOWNOFSA-N 2 2 330.476 2.335 10 30 EEEELP C=CCC[N@@H+]1CC[C@@H](N(CCC)C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 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C[N@@H+]1CCC[C@H]1CCC(=O)NC[C@H]1CC[NH+]1CC#Cc1ccccc1 ZINC001498998711 1108434761 /nfs/dbraw/zinc/43/47/61/1108434761.db2.gz QNAMTVCHPXCXMN-VQTJNVASSA-N 2 2 339.483 2.103 10 30 EEEELP C[N@H+]1CCC[C@H]1CCC(=O)NC[C@H]1CC[NH+]1CC#Cc1ccccc1 ZINC001498998711 1108434768 /nfs/dbraw/zinc/43/47/68/1108434768.db2.gz QNAMTVCHPXCXMN-VQTJNVASSA-N 2 2 339.483 2.103 10 30 EEEELP C[NH+]1CCC[C@H]1CCC(=O)NC[C@H]1CC[N@@H+]1CC#Cc1ccccc1 ZINC001498998711 1108434775 /nfs/dbraw/zinc/43/47/75/1108434775.db2.gz QNAMTVCHPXCXMN-VQTJNVASSA-N 2 2 339.483 2.103 10 30 EEEELP C[NH+]1CCC[C@H]1CCC(=O)NC[C@H]1CC[N@H+]1CC#Cc1ccccc1 ZINC001498998711 1108434796 /nfs/dbraw/zinc/43/47/96/1108434796.db2.gz QNAMTVCHPXCXMN-VQTJNVASSA-N 2 2 339.483 2.103 10 30 EEEELP C[C@@H](CC(=O)N(C)CC[NH2+]Cc1ccc(C#N)c(F)c1)n1cc[nH+]c1 ZINC001493710305 1108546187 /nfs/dbraw/zinc/54/61/87/1108546187.db2.gz RPEFXTMAUVIMDK-AWEZNQCLSA-N 2 2 343.406 2.093 10 30 EEEELP CN(CC(C)(C)C[NH2+]CC#Cc1ccccc1)C(=O)Cc1[nH]cc[nH+]1 ZINC001505842658 1114228226 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2.260 10 30 EEEELP C[C@@H](C(=O)N(C)CCC#N)[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282112065 464701152 /nfs/dbraw/zinc/70/11/52/464701152.db2.gz QBHTYYKFOUYLBI-JKSUJKDBSA-N 2 2 343.475 2.159 10 30 EEEELP C[C@@H](C(=O)N(C)CCC#N)[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282112065 464701157 /nfs/dbraw/zinc/70/11/57/464701157.db2.gz QBHTYYKFOUYLBI-JKSUJKDBSA-N 2 2 343.475 2.159 10 30 EEEELP C=CCC1(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)CCOCC1 ZINC000424633179 467079554 /nfs/dbraw/zinc/07/95/54/467079554.db2.gz VWGPJDZJKKXOMW-UHFFFAOYSA-N 2 2 349.519 2.034 10 30 EEEELP C=CCC[N@H+]1C[C@@H]2CC[C@H](NC(=O)CCc3c[nH+]cn3C)C[C@H]2C1 ZINC001485656420 1191874605 /nfs/dbraw/zinc/87/46/05/1191874605.db2.gz CSUZQIBYEVYYMB-ULQDDVLXSA-N 2 2 330.476 2.146 10 30 EEEELP C=CCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)CCc3c[nH+]cn3C)C[C@H]2C1 ZINC001485656420 1191874607 /nfs/dbraw/zinc/87/46/07/1191874607.db2.gz CSUZQIBYEVYYMB-ULQDDVLXSA-N 2 2 330.476 2.146 10 30 EEEELP 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C=CCS(=O)(=O)CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000886587692 1202528207 /nfs/dbraw/zinc/52/82/07/1202528207.db2.gz CZHOZZNGCGEDAE-OTWHNJEPSA-N 2 2 348.512 2.230 10 30 EEEELP C=CCS(=O)(=O)CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000886587692 1202528208 /nfs/dbraw/zinc/52/82/08/1202528208.db2.gz CZHOZZNGCGEDAE-OTWHNJEPSA-N 2 2 348.512 2.230 10 30 EEEELP C=C(C)C[NH2+]CC[C@@H]1CCCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001267889109 1276765682 /nfs/dbraw/zinc/76/56/82/1276765682.db2.gz ZSVCPMVZYLZZPK-IRXDYDNUSA-N 2 2 330.476 2.240 10 30 EEEELP CC(C)[C@H](C(=O)N(C)C[C@@H]1CC[N@@H+]1CC#Cc1ccccc1)[NH+](C)C ZINC001264378509 1322682775 /nfs/dbraw/zinc/68/27/75/1322682775.db2.gz LJXVHPAZABJUQZ-VQTJNVASSA-N 2 2 341.499 2.157 10 30 EEEELP CC(C)[C@H](C(=O)N(C)C[C@@H]1CC[N@H+]1CC#Cc1ccccc1)[NH+](C)C ZINC001264378509 1322682780 /nfs/dbraw/zinc/68/27/80/1322682780.db2.gz LJXVHPAZABJUQZ-VQTJNVASSA-N 2 2 341.499 2.157 10 30 EEEELP C=C(C)C[N@@H+]1CCC[C@H]1CCCNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001266222370 1323793833 /nfs/dbraw/zinc/79/38/33/1323793833.db2.gz BARCCLBDOYDCRQ-IAGOWNOFSA-N 2 2 330.476 2.382 10 30 EEEELP C=C(C)C[N@H+]1CCC[C@H]1CCCNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001266222370 1323793836 /nfs/dbraw/zinc/79/38/36/1323793836.db2.gz BARCCLBDOYDCRQ-IAGOWNOFSA-N 2 2 330.476 2.382 10 30 EEEELP C=C(C)C[N@@H+]1CCC[C@@H]1CCCNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001266222372 1323794055 /nfs/dbraw/zinc/79/40/55/1323794055.db2.gz BARCCLBDOYDCRQ-SJORKVTESA-N 2 2 330.476 2.382 10 30 EEEELP C=C(C)C[N@H+]1CCC[C@@H]1CCCNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001266222372 1323794059 /nfs/dbraw/zinc/79/40/59/1323794059.db2.gz BARCCLBDOYDCRQ-SJORKVTESA-N 2 2 330.476 2.382 10 30 EEEELP C=CCCC[NH2+][C@H]1CN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1(C)C ZINC001284292509 1326491285 /nfs/dbraw/zinc/49/12/85/1326491285.db2.gz GVHNIVBAFNJGCS-WBVHZDCISA-N 2 2 330.476 2.238 10 30 EEEELP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CC/C=C/CCC)[C@@H]1C ZINC001316788128 1331894521 /nfs/dbraw/zinc/89/45/21/1331894521.db2.gz UQPDCSALLAVIMP-WYBNUAJGSA-N 2 2 331.504 2.409 10 30 EEEELP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CC/C=C/CCC)[C@@H]1C ZINC001316788128 1331894525 /nfs/dbraw/zinc/89/45/25/1331894525.db2.gz UQPDCSALLAVIMP-WYBNUAJGSA-N 2 2 331.504 2.409 10 30 EEEELP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CC/C=C/CCC)[C@@H]1C ZINC001316788128 1331894527 /nfs/dbraw/zinc/89/45/27/1331894527.db2.gz UQPDCSALLAVIMP-WYBNUAJGSA-N 2 2 331.504 2.409 10 30 EEEELP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CC/C=C/CCC)[C@@H]1C ZINC001316788128 1331894531 /nfs/dbraw/zinc/89/45/31/1331894531.db2.gz UQPDCSALLAVIMP-WYBNUAJGSA-N 2 2 331.504 2.409 10 30 EEEELP C=CCC[N@@H+](C)C[C@@H]1CCCCN1C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001316805266 1331902753 /nfs/dbraw/zinc/90/27/53/1331902753.db2.gz TXNFNTKVWBPRJZ-IRXDYDNUSA-N 2 2 330.476 2.335 10 30 EEEELP C=CCC[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001316805266 1331902756 /nfs/dbraw/zinc/90/27/56/1331902756.db2.gz TXNFNTKVWBPRJZ-IRXDYDNUSA-N 2 2 330.476 2.335 10 30 EEEELP C=C(C)C[NH2+]C[C@H]1CCC[C@@H]1NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001320134970 1332835044 /nfs/dbraw/zinc/83/50/44/1332835044.db2.gz STFWZCWERUINRP-WBVHZDCISA-N 2 2 330.476 2.213 10 30 EEEELP C=CCCC[N@@H+](C)C[C@H](C)NC(=O)c1cc([C@H]2CCC[NH+]2C)n[nH]1 ZINC001322158283 1333219896 /nfs/dbraw/zinc/21/98/96/1333219896.db2.gz BUZGTLXRCSNVBH-WMLDXEAASA-N 2 2 333.480 2.193 10 30 EEEELP C=CCCC[N@H+](C)C[C@H](C)NC(=O)c1cc([C@H]2CCC[NH+]2C)n[nH]1 ZINC001322158283 1333219898 /nfs/dbraw/zinc/21/98/98/1333219898.db2.gz BUZGTLXRCSNVBH-WMLDXEAASA-N 2 2 333.480 2.193 10 30 EEEELP C=CCCC[NH+](C)C[C@H](C)NC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1 ZINC001322158283 1333219902 /nfs/dbraw/zinc/21/99/02/1333219902.db2.gz BUZGTLXRCSNVBH-WMLDXEAASA-N 2 2 333.480 2.193 10 30 EEEELP C=CCCC[NH+](C)C[C@H](C)NC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1 ZINC001322158283 1333219904 /nfs/dbraw/zinc/21/99/04/1333219904.db2.gz BUZGTLXRCSNVBH-WMLDXEAASA-N 2 2 333.480 2.193 10 30 EEEELP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH+](CC#N)CC2CC2)CC1 ZINC001323733827 1333527406 /nfs/dbraw/zinc/52/74/06/1333527406.db2.gz OJQWFBDWWSUJNV-IBGZPJMESA-N 2 2 346.519 2.333 10 30 EEEELP CC(C)C[N@H+]1CCC[C@H]1C(=O)N1CCC([NH+](CC#N)CC2CC2)CC1 ZINC001323733827 1333527409 /nfs/dbraw/zinc/52/74/09/1333527409.db2.gz OJQWFBDWWSUJNV-IBGZPJMESA-N 2 2 346.519 2.333 10 30 EEEELP CC(C)C[NH+]1CCC[C@H]1C(=O)N1CCC([N@H+](CC#N)CC2CC2)CC1 ZINC001323733827 1333527410 /nfs/dbraw/zinc/52/74/10/1333527410.db2.gz OJQWFBDWWSUJNV-IBGZPJMESA-N 2 2 346.519 2.333 10 30 EEEELP CC(C)C[NH+]1CCC[C@H]1C(=O)N1CCC([N@@H+](CC#N)CC2CC2)CC1 ZINC001323733827 1333527413 /nfs/dbraw/zinc/52/74/13/1333527413.db2.gz OJQWFBDWWSUJNV-IBGZPJMESA-N 2 2 346.519 2.333 10 30 EEEELP C#CCC[NH2+][C@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)[C@H](C)C1 ZINC001324071574 1333601528 /nfs/dbraw/zinc/60/15/28/1333601528.db2.gz GCSNKVXOSLPZQU-AEFFLSMTSA-N 2 2 336.439 2.478 10 30 EEEELP C=CCC[C@H](C)[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001656206857 1354214583 /nfs/dbraw/zinc/21/45/83/1354214583.db2.gz IFVOTEBRNYMNPN-QAETUUGQSA-N 2 2 330.476 2.285 10 30 EEEELP CC#CC[NH2+][C@H](C)[C@H]1CCCCN1C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001660439548 1354465575 /nfs/dbraw/zinc/46/55/75/1354465575.db2.gz IWSRHBKNORHAAI-SJLPKXTDSA-N 2 2 342.487 2.144 10 30 EEEELP C=CCC[NH2+]CC[C@@H]1CCCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001666120052 1355457162 /nfs/dbraw/zinc/45/71/62/1355457162.db2.gz MIDXREKTZPLTKJ-DLBZAZTESA-N 2 2 330.476 2.240 10 30 EEEELP C=C(Cl)C[NH2+]CC[C@@H]1CCCCN1C(=O)CCc1[nH+]ccn1C ZINC001667272855 1355694873 /nfs/dbraw/zinc/69/48/73/1355694873.db2.gz JKXSDAWVOIKMGM-HNNXBMFYSA-N 2 2 338.883 2.466 10 30 EEEELP C[C@H](CC(=O)N(C)CCC[NH2+]Cc1cccc(C#N)c1)n1cc[nH+]c1 ZINC001670261408 1356306728 /nfs/dbraw/zinc/30/67/28/1356306728.db2.gz MOEQSFZVINQJAD-MRXNPFEDSA-N 2 2 339.443 2.344 10 30 EEEELP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N(C)CCC[NH2+]Cc1ccc(C#N)cc1 ZINC001670276361 1356309776 /nfs/dbraw/zinc/30/97/76/1356309776.db2.gz XSJIIGFAFNKMKO-HNNXBMFYSA-N 2 2 339.443 2.098 10 30 EEEELP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N(C)CCC[NH2+]Cc1ccc(C#N)cc1 ZINC001670276361 1356309779 /nfs/dbraw/zinc/30/97/79/1356309779.db2.gz XSJIIGFAFNKMKO-HNNXBMFYSA-N 2 2 339.443 2.098 10 30 EEEELP C#CCN(C(=O)CCCn1cc[nH+]c1)C1CC[NH+](CC(=C)C)CC1 ZINC001671507392 1356352285 /nfs/dbraw/zinc/35/22/85/1356352285.db2.gz AICUPPWWHYFZSH-UHFFFAOYSA-N 2 2 328.460 2.166 10 30 EEEELP C=CCCC[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH+]ccc2OC)C[C@@H]1C ZINC001672286522 1356493930 /nfs/dbraw/zinc/49/39/30/1356493930.db2.gz IWGKALGTLJMMEH-DOTOQJQBSA-N 2 2 331.460 2.283 10 30 EEEELP C#CC[NH+]1CCC[C@H]1C(=O)N(C)CCC[N@H+](C)CC=C(Cl)Cl ZINC001673445768 1356691689 /nfs/dbraw/zinc/69/16/89/1356691689.db2.gz MHSFJAJOKKWWKV-AWEZNQCLSA-N 2 2 346.302 2.183 10 30 EEEELP C#CC[NH+]1CCC[C@H]1C(=O)N(C)CCC[N@@H+](C)CC=C(Cl)Cl ZINC001673445768 1356691693 /nfs/dbraw/zinc/69/16/93/1356691693.db2.gz MHSFJAJOKKWWKV-AWEZNQCLSA-N 2 2 346.302 2.183 10 30 EEEELP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCC[NH+](C)CC=C(Cl)Cl ZINC001673445768 1356691697 /nfs/dbraw/zinc/69/16/97/1356691697.db2.gz MHSFJAJOKKWWKV-AWEZNQCLSA-N 2 2 346.302 2.183 10 30 EEEELP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCC[NH+](C)CC=C(Cl)Cl ZINC001673445768 1356691701 /nfs/dbraw/zinc/69/17/01/1356691701.db2.gz MHSFJAJOKKWWKV-AWEZNQCLSA-N 2 2 346.302 2.183 10 30 EEEELP C=CCC[N@H+]1CC[C@H](NC(=O)Cc2c[nH+]ccc2OC)C(C)(C)C1 ZINC000940835435 779382484 /nfs/dbraw/zinc/38/24/84/779382484.db2.gz CILABQCSDXKOJM-KRWDZBQOSA-N 2 2 331.460 2.426 10 30 EEEELP C=CCC[N@@H+]1CC[C@H](NC(=O)Cc2c[nH+]ccc2OC)C(C)(C)C1 ZINC000940835435 779382487 /nfs/dbraw/zinc/38/24/87/779382487.db2.gz CILABQCSDXKOJM-KRWDZBQOSA-N 2 2 331.460 2.426 10 30 EEEELP C=C(C)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C(C)(C)C1 ZINC000941040934 779784685 /nfs/dbraw/zinc/78/46/85/779784685.db2.gz BYANSIXPGUVTJV-BFYDXBDKSA-N 2 2 330.476 2.316 10 30 EEEELP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C(C)(C)C1 ZINC000941040934 779784693 /nfs/dbraw/zinc/78/46/93/779784693.db2.gz BYANSIXPGUVTJV-BFYDXBDKSA-N 2 2 330.476 2.316 10 30 EEEELP C=C(Cl)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](F)C[NH+](CC)CC ZINC001446292640 1092453105 /nfs/dbraw/zinc/45/31/05/1092453105.db2.gz GPYRMNVDFKSCQE-PMPSAXMXSA-N 2 2 345.890 2.484 10 30 EEEELP C=C(Cl)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](F)C[NH+](CC)CC ZINC001446292640 1092453108 /nfs/dbraw/zinc/45/31/08/1092453108.db2.gz GPYRMNVDFKSCQE-PMPSAXMXSA-N 2 2 345.890 2.484 10 30 EEEELP CC#CC[NH2+]CC[C@@H]1CCCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001495359945 1101074157 /nfs/dbraw/zinc/07/41/57/1101074157.db2.gz NQKBHLFNIRUUDC-KRWDZBQOSA-N 2 2 338.455 2.498 10 30 EEEELP C=CCCC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001507014602 1115054646 /nfs/dbraw/zinc/05/46/46/1115054646.db2.gz GMEDHHKVPRFKDR-WMZOPIPTSA-N 2 2 330.476 2.238 10 30 EEEELP C[C@@H](CNC(=O)c1cccc2[nH+]ccn21)C[NH2+]CC#Cc1ccccc1 ZINC001568183003 1124344215 /nfs/dbraw/zinc/34/42/15/1124344215.db2.gz VZHNXSAMENJWAN-QGZVFWFLSA-N 2 2 346.434 2.342 10 30 EEEELP N#Cc1ccc(C[NH+]2CCC([NH2+]Cc3cc(C(N)=O)co3)CC2)cc1 ZINC000187725728 160107887 /nfs/dbraw/zinc/10/78/87/160107887.db2.gz ZRWTUFUBPXOMNI-UHFFFAOYSA-N 2 2 338.411 2.004 10 30 EEEELP C=C1C[C@H]2CC[C@@H](C1)[N@H+]2[C@@H](C)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000662085865 471980945 /nfs/dbraw/zinc/98/09/45/471980945.db2.gz LDGMRAJOCCVTJH-OKZBNKHCSA-N 2 2 340.471 2.302 10 30 EEEELP C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H](C)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000662085865 471980951 /nfs/dbraw/zinc/98/09/51/471980951.db2.gz LDGMRAJOCCVTJH-OKZBNKHCSA-N 2 2 340.471 2.302 10 30 EEEELP C#CC[NH2+]CCCCCCN(C)C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001691451758 1178846702 /nfs/dbraw/zinc/84/67/02/1178846702.db2.gz OGWMYKJDYSOKNA-UHFFFAOYSA-N 2 2 326.444 2.498 10 30 EEEELP C[C@@H](CC[NH2+]Cc1cccc(C#N)c1)NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001268405743 1182521345 /nfs/dbraw/zinc/52/13/45/1182521345.db2.gz OVOZUFORQDRNGD-GJZGRUSLSA-N 2 2 339.443 2.145 10 30 EEEELP C[C@@H](CC[NH2+]Cc1cccc(C#N)c1)NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001268405743 1182521348 /nfs/dbraw/zinc/52/13/48/1182521348.db2.gz OVOZUFORQDRNGD-GJZGRUSLSA-N 2 2 339.443 2.145 10 30 EEEELP C#CC[N@H+]1CC[C@@H](NC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C(C)(C)C1 ZINC001484936337 1191580022 /nfs/dbraw/zinc/58/00/22/1191580022.db2.gz ICYUINVIVOOINJ-IAGOWNOFSA-N 2 2 330.476 2.320 10 30 EEEELP C#CC[N@@H+]1CC[C@@H](NC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C(C)(C)C1 ZINC001484936337 1191580024 /nfs/dbraw/zinc/58/00/24/1191580024.db2.gz ICYUINVIVOOINJ-IAGOWNOFSA-N 2 2 330.476 2.320 10 30 EEEELP C=CCCC[N@@H+]1CC[C@@]2(NC(=O)CCc3c[nH+]cn3C)CCC[C@H]12 ZINC001486162042 1193707057 /nfs/dbraw/zinc/70/70/57/1193707057.db2.gz YSYSSASGNKEQMH-HKUYNNGSSA-N 2 2 330.476 2.432 10 30 EEEELP C=CCCC[N@H+]1CC[C@@]2(NC(=O)CCc3c[nH+]cn3C)CCC[C@H]12 ZINC001486162042 1193707059 /nfs/dbraw/zinc/70/70/59/1193707059.db2.gz YSYSSASGNKEQMH-HKUYNNGSSA-N 2 2 330.476 2.432 10 30 EEEELP C=CCOCC[N@@H+]1CCC[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001273428525 1198811176 /nfs/dbraw/zinc/81/11/76/1198811176.db2.gz PGNTXYJEECWPIN-MRXNPFEDSA-N 2 2 342.443 2.350 10 30 EEEELP C=CCOCC[N@H+]1CCC[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001273428525 1198811179 /nfs/dbraw/zinc/81/11/79/1198811179.db2.gz PGNTXYJEECWPIN-MRXNPFEDSA-N 2 2 342.443 2.350 10 30 EEEELP C[C@H]([NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1)c1cccc(C#N)c1O ZINC000866269318 1201480694 /nfs/dbraw/zinc/48/06/94/1201480694.db2.gz HUMSBCMKKKQEIX-LSDHHAIUSA-N 2 2 329.444 2.415 10 30 EEEELP C[C@@H]([NH2+]CC#Cc1ccccc1)[C@H](C)NC(=O)c1cccc2[nH+]ccn21 ZINC001275452910 1205366724 /nfs/dbraw/zinc/36/67/24/1205366724.db2.gz SOLSYNCNVBISNA-SJORKVTESA-N 2 2 346.434 2.482 10 30 EEEELP C#CCC[NH2+]CC[C@@H]1[C@@H](C)CCCN1C(=O)CCCn1cc[nH+]c1 ZINC001691737067 1210827967 /nfs/dbraw/zinc/82/79/67/1210827967.db2.gz ADUHONVJZIUMOF-ZWKOTPCHSA-N 2 2 330.476 2.293 10 30 EEEELP C#CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@@H](CC)[NH+](CC)CC ZINC001273825975 1286522697 /nfs/dbraw/zinc/52/26/97/1286522697.db2.gz WADJRJUYWGOFNO-WOJBJXKFSA-N 2 2 341.499 2.283 10 30 EEEELP C#CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@@H](CC)[NH+](CC)CC ZINC001273825975 1286522702 /nfs/dbraw/zinc/52/27/02/1286522702.db2.gz WADJRJUYWGOFNO-WOJBJXKFSA-N 2 2 341.499 2.283 10 30 EEEELP C=CCCC[N@H+]1CC[C@@]2(CCN(C(=O)CCc3[nH+]ccn3C)C2)C1 ZINC001277526059 1303822641 /nfs/dbraw/zinc/82/26/41/1303822641.db2.gz VVLYZFKDQYZYCG-LJQANCHMSA-N 2 2 330.476 2.243 10 30 EEEELP C=CCCC[N@@H+]1CC[C@@]2(CCN(C(=O)CCc3[nH+]ccn3C)C2)C1 ZINC001277526059 1303822642 /nfs/dbraw/zinc/82/26/42/1303822642.db2.gz VVLYZFKDQYZYCG-LJQANCHMSA-N 2 2 330.476 2.243 10 30 EEEELP C#CCN(C(=O)CCc1c[nH+]cn1C)C1CC[NH+](CCC2CC2)CC1 ZINC001278200427 1306283408 /nfs/dbraw/zinc/28/34/08/1306283408.db2.gz IFCSBHCAVBCHIB-UHFFFAOYSA-N 2 2 342.487 2.079 10 30 EEEELP C=CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)CCc2[nH+]ccn2C)C1 ZINC001263885523 1322547401 /nfs/dbraw/zinc/54/74/01/1322547401.db2.gz ANXZEWBIISJYER-ZWKOTPCHSA-N 2 2 338.455 2.123 10 30 EEEELP C=CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)CCc2[nH+]ccn2C)C1 ZINC001263885523 1322547405 /nfs/dbraw/zinc/54/74/05/1322547405.db2.gz ANXZEWBIISJYER-ZWKOTPCHSA-N 2 2 338.455 2.123 10 30 EEEELP C=CCC[C@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)Cc3[nH]c[nH+]c3C)C[C@@H]2C1 ZINC001264655570 1322767682 /nfs/dbraw/zinc/76/76/82/1322767682.db2.gz FZNHYGATIMJZRX-UAGQMJEPSA-N 2 2 330.476 2.396 10 30 EEEELP C=CCC[C@H](C)[N@H+]1CC[C@@H]2CN(C(=O)Cc3[nH]c[nH+]c3C)C[C@@H]2C1 ZINC001264655570 1322767687 /nfs/dbraw/zinc/76/76/87/1322767687.db2.gz FZNHYGATIMJZRX-UAGQMJEPSA-N 2 2 330.476 2.396 10 30 EEEELP C=CCC[N@@H+]1CCC[C@@H]1CCCNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001266223441 1323796090 /nfs/dbraw/zinc/79/60/90/1323796090.db2.gz QHZJVQSBMUNHMZ-IRXDYDNUSA-N 2 2 330.476 2.382 10 30 EEEELP C=CCC[N@H+]1CCC[C@@H]1CCCNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001266223441 1323796096 /nfs/dbraw/zinc/79/60/96/1323796096.db2.gz QHZJVQSBMUNHMZ-IRXDYDNUSA-N 2 2 330.476 2.382 10 30 EEEELP C=CCOCC[N@H+]1CC[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)[C@H]1CC ZINC001316733269 1331865359 /nfs/dbraw/zinc/86/53/59/1331865359.db2.gz NLXBPFVQWQFMJD-DLBZAZTESA-N 2 2 348.491 2.098 10 30 EEEELP C=CCOCC[N@@H+]1CC[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)[C@H]1CC ZINC001316733269 1331865365 /nfs/dbraw/zinc/86/53/65/1331865365.db2.gz NLXBPFVQWQFMJD-DLBZAZTESA-N 2 2 348.491 2.098 10 30 EEEELP C[C@@H](CCNC(=O)Cn1cc[nH+]c1)[NH2+]CC#Cc1cccc(Cl)c1 ZINC001317417607 1332221503 /nfs/dbraw/zinc/22/15/03/1332221503.db2.gz NEBDRULCOXGCKZ-HNNXBMFYSA-N 2 2 344.846 2.073 10 30 EEEELP C=CCCC[N@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001318471929 1332545678 /nfs/dbraw/zinc/54/56/78/1332545678.db2.gz GHQZIZVYDIOFIK-SJORKVTESA-N 2 2 330.476 2.335 10 30 EEEELP C=CCCC[N@@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001318471929 1332545679 /nfs/dbraw/zinc/54/56/79/1332545679.db2.gz GHQZIZVYDIOFIK-SJORKVTESA-N 2 2 330.476 2.335 10 30 EEEELP C#CCC[NH2+]C[C@@](C)(NC(=O)c1ccc(-n2cc[nH+]c2)cc1)C1CC1 ZINC001318711750 1332581823 /nfs/dbraw/zinc/58/18/23/1332581823.db2.gz UTPMBQKQLYQTDE-HXUWFJFHSA-N 2 2 336.439 2.384 10 30 EEEELP C=CC[N@H+](CC1CC1)C1CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC001323734075 1333527475 /nfs/dbraw/zinc/52/74/75/1333527475.db2.gz UZZIIXJOBYAPMF-QGZVFWFLSA-N 2 2 342.487 2.335 10 30 EEEELP C=CC[N@@H+](CC1CC1)C1CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC001323734075 1333527479 /nfs/dbraw/zinc/52/74/79/1333527479.db2.gz UZZIIXJOBYAPMF-QGZVFWFLSA-N 2 2 342.487 2.335 10 30 EEEELP C=C(C)CC[NH2+][C@H](C)[C@@H]1CCN(C(=O)Cc2c[nH+]ccc2OC)C1 ZINC001325419015 1333882866 /nfs/dbraw/zinc/88/28/66/1333882866.db2.gz SPAXCXDANTWSNR-HZPDHXFCSA-N 2 2 331.460 2.426 10 30 EEEELP C=C(C)C[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC001570041432 1343003570 /nfs/dbraw/zinc/00/35/70/1343003570.db2.gz LQKIJWGBUXNJON-BRWVUGGUSA-N 2 2 330.476 2.286 10 30 EEEELP C=CC[NH2+]C[C@H]1CC[C@H](NC(=O)Cc2cn3cccc(C)c3[nH+]2)C1 ZINC001676957217 1357248691 /nfs/dbraw/zinc/24/86/91/1357248691.db2.gz AITPKPIUIWJGJD-HOTGVXAUSA-N 2 2 326.444 2.246 10 30 EEEELP C=C(Br)C[NH+](C)CCCNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001660139958 1354403159 /nfs/dbraw/zinc/40/31/59/1354403159.db2.gz WRAOUOXFBCTFFO-CQSZACIVSA-N 2 2 346.313 2.206 10 30 EEEELP C=C(Br)C[NH+](C)CCCNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001660139958 1354403161 /nfs/dbraw/zinc/40/31/61/1354403161.db2.gz WRAOUOXFBCTFFO-CQSZACIVSA-N 2 2 346.313 2.206 10 30 EEEELP C=C(Br)C[N@@H+](C)CCCNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001660139958 1354403162 /nfs/dbraw/zinc/40/31/62/1354403162.db2.gz WRAOUOXFBCTFFO-CQSZACIVSA-N 2 2 346.313 2.206 10 30 EEEELP C=C(Br)C[N@H+](C)CCCNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001660139958 1354403165 /nfs/dbraw/zinc/40/31/65/1354403165.db2.gz WRAOUOXFBCTFFO-CQSZACIVSA-N 2 2 346.313 2.206 10 30 EEEELP C=CCC[NH2+]CC[C@H]1CCCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001666120053 1355457419 /nfs/dbraw/zinc/45/74/19/1355457419.db2.gz MIDXREKTZPLTKJ-IAGOWNOFSA-N 2 2 330.476 2.240 10 30 EEEELP C#CCN(C(=O)CCCn1cc[nH+]c1)C1CC[NH+](C/C=C\Cl)CC1 ZINC001671507995 1356353341 /nfs/dbraw/zinc/35/33/41/1356353341.db2.gz MERUBRJMOXFXFB-YWEYNIOJSA-N 2 2 348.878 2.342 10 30 EEEELP C=CCC[C@H](C)[NH2+]C1(CNC(=O)Cc2cn3c([nH+]2)CCCC3)CC1 ZINC001699650906 1405431028 /nfs/dbraw/zinc/43/10/28/1405431028.db2.gz GPBRJQKEPVSQEK-HNNXBMFYSA-N 2 2 330.476 2.355 10 30 EEEELP CC(C)[N@H+](C)CC(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2Cc1cccc(C#N)c1 ZINC001437878445 1090454562 /nfs/dbraw/zinc/45/45/62/1090454562.db2.gz DPDAZTFPGJGOOI-KDURUIRLSA-N 2 2 340.471 2.074 10 30 EEEELP CC(C)[N@@H+](C)CC(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2Cc1cccc(C#N)c1 ZINC001437878445 1090454564 /nfs/dbraw/zinc/45/45/64/1090454564.db2.gz DPDAZTFPGJGOOI-KDURUIRLSA-N 2 2 340.471 2.074 10 30 EEEELP CC(C)[NH+](C)CC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cccc(C#N)c1 ZINC001437878445 1090454566 /nfs/dbraw/zinc/45/45/66/1090454566.db2.gz DPDAZTFPGJGOOI-KDURUIRLSA-N 2 2 340.471 2.074 10 30 EEEELP CC(C)[NH+](C)CC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cccc(C#N)c1 ZINC001437878445 1090454568 /nfs/dbraw/zinc/45/45/68/1090454568.db2.gz DPDAZTFPGJGOOI-KDURUIRLSA-N 2 2 340.471 2.074 10 30 EEEELP C[C@@H](C[N@H+](C)Cc1cc(F)ccc1C#N)NC(=O)C[NH+](C)C1CCC1 ZINC001445747824 1091581278 /nfs/dbraw/zinc/58/12/78/1091581278.db2.gz ODPYBSRXUSSDQT-AWEZNQCLSA-N 2 2 346.450 2.118 10 30 EEEELP C[C@@H](C[N@@H+](C)Cc1cc(F)ccc1C#N)NC(=O)C[NH+](C)C1CCC1 ZINC001445747824 1091581282 /nfs/dbraw/zinc/58/12/82/1091581282.db2.gz ODPYBSRXUSSDQT-AWEZNQCLSA-N 2 2 346.450 2.118 10 30 EEEELP C[C@@H](C[NH+](C)Cc1cc(F)ccc1C#N)NC(=O)C[N@H+](C)C1CCC1 ZINC001445747824 1091581292 /nfs/dbraw/zinc/58/12/92/1091581292.db2.gz ODPYBSRXUSSDQT-AWEZNQCLSA-N 2 2 346.450 2.118 10 30 EEEELP C[C@@H](C[NH+](C)Cc1cc(F)ccc1C#N)NC(=O)C[N@@H+](C)C1CCC1 ZINC001445747824 1091581294 /nfs/dbraw/zinc/58/12/94/1091581294.db2.gz ODPYBSRXUSSDQT-AWEZNQCLSA-N 2 2 346.450 2.118 10 30 EEEELP C=CCC[N@@H+](C)CCC1CCN(C(=O)CCc2[nH+]ccn2C)CC1 ZINC001496506075 1101103491 /nfs/dbraw/zinc/10/34/91/1101103491.db2.gz MJFZYANQIKNQCV-UHFFFAOYSA-N 2 2 332.492 2.489 10 30 EEEELP C=CCC[N@H+](C)CCC1CCN(C(=O)CCc2[nH+]ccn2C)CC1 ZINC001496506075 1101103493 /nfs/dbraw/zinc/10/34/93/1101103493.db2.gz MJFZYANQIKNQCV-UHFFFAOYSA-N 2 2 332.492 2.489 10 30 EEEELP C=C(C)CC[N@@H+]1CCO[C@H](CNC(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001495884978 1101717264 /nfs/dbraw/zinc/71/72/64/1101717264.db2.gz PBPYNQUKZFRIME-RTBURBONSA-N 2 2 345.487 2.073 10 30 EEEELP C=C(C)CC[N@H+]1CCO[C@H](CNC(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001495884978 1101717273 /nfs/dbraw/zinc/71/72/73/1101717273.db2.gz PBPYNQUKZFRIME-RTBURBONSA-N 2 2 345.487 2.073 10 30 EEEELP C=C(C)CC[NH2+]C[C@](C)(NC(=O)[C@H]1CCc2[nH+]ccn2C1)C1CC1 ZINC001568023607 1124235640 /nfs/dbraw/zinc/23/56/40/1124235640.db2.gz VLXYPGHLMFDSAQ-KXBFYZLASA-N 2 2 330.476 2.286 10 30 EEEELP C#CCC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001568532371 1124594787 /nfs/dbraw/zinc/59/47/87/1124594787.db2.gz DFVUEBRVFROSQO-PKOBYXMFSA-N 2 2 336.439 2.384 10 30 EEEELP C[N@H+](Cc1ccc(C#N)cc1F)C1CC[NH+](CCn2cccn2)CC1 ZINC000105863331 159309489 /nfs/dbraw/zinc/30/94/89/159309489.db2.gz JSURHNAXVLINDM-UHFFFAOYSA-N 2 2 341.434 2.490 10 30 EEEELP C[N@@H+](Cc1ccc(C#N)cc1F)C1CC[NH+](CCn2cccn2)CC1 ZINC000105863331 159309490 /nfs/dbraw/zinc/30/94/90/159309490.db2.gz JSURHNAXVLINDM-UHFFFAOYSA-N 2 2 341.434 2.490 10 30 EEEELP N#Cc1ccc2ncc(C[NH2+]Cc3ccc(-n4cc[nH+]c4)nc3)n2c1 ZINC000369480641 166269663 /nfs/dbraw/zinc/26/96/63/166269663.db2.gz QLOUESNQFPNCLT-UHFFFAOYSA-N 2 2 329.367 2.076 10 30 EEEELP COc1cc(C[NH+]2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)ccc1C#N ZINC000282203601 269470870 /nfs/dbraw/zinc/47/08/70/269470870.db2.gz GYHNWMNEEOELGZ-IBGZPJMESA-N 2 2 342.487 2.169 10 30 EEEELP COc1cc(C[NH+]2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)ccc1C#N ZINC000282203601 269470872 /nfs/dbraw/zinc/47/08/72/269470872.db2.gz GYHNWMNEEOELGZ-IBGZPJMESA-N 2 2 342.487 2.169 10 30 EEEELP C[N@H+](Cc1ccc(C#N)s1)C1CC[NH+](CCn2cccn2)CC1 ZINC000121228566 463101165 /nfs/dbraw/zinc/10/11/65/463101165.db2.gz PBKZQIORJYAIFX-UHFFFAOYSA-N 2 2 329.473 2.413 10 30 EEEELP C[N@@H+](Cc1ccc(C#N)s1)C1CC[NH+](CCn2cccn2)CC1 ZINC000121228566 463101172 /nfs/dbraw/zinc/10/11/72/463101172.db2.gz PBKZQIORJYAIFX-UHFFFAOYSA-N 2 2 329.473 2.413 10 30 EEEELP C[C@@H]1C[C@@H]([NH+](C)CC(=O)N(CCC#N)c2ccccc2)CC[N@@H+]1C ZINC000123025816 463309865 /nfs/dbraw/zinc/30/98/65/463309865.db2.gz CMBZJVSTHVKCBN-AEFFLSMTSA-N 2 2 328.460 2.348 10 30 EEEELP C[C@@H]1C[C@@H]([NH+](C)CC(=O)N(CCC#N)c2ccccc2)CC[N@H+]1C ZINC000123025816 463309867 /nfs/dbraw/zinc/30/98/67/463309867.db2.gz CMBZJVSTHVKCBN-AEFFLSMTSA-N 2 2 328.460 2.348 10 30 EEEELP C[C@@H]1C[C@@H]([N@H+](C)CC(=O)N(CCC#N)c2ccccc2)CC[NH+]1C ZINC000123025816 463309872 /nfs/dbraw/zinc/30/98/72/463309872.db2.gz CMBZJVSTHVKCBN-AEFFLSMTSA-N 2 2 328.460 2.348 10 30 EEEELP C[C@@H]1C[C@@H]([N@@H+](C)CC(=O)N(CCC#N)c2ccccc2)CC[NH+]1C ZINC000123025816 463309874 /nfs/dbraw/zinc/30/98/74/463309874.db2.gz CMBZJVSTHVKCBN-AEFFLSMTSA-N 2 2 328.460 2.348 10 30 EEEELP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]CCOc1ccc(C#N)cc1 ZINC000591745266 468513346 /nfs/dbraw/zinc/51/33/46/468513346.db2.gz CZCHNBAYSRIJIG-IBGZPJMESA-N 2 2 339.439 2.020 10 30 EEEELP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]CCOc1ccc(C#N)cc1 ZINC000591745266 468513350 /nfs/dbraw/zinc/51/33/50/468513350.db2.gz CZCHNBAYSRIJIG-IBGZPJMESA-N 2 2 339.439 2.020 10 30 EEEELP Cn1cc[nH+]c1[C@H](NC(=O)[C@H]([NH3+])CCCCC#N)c1cccc(F)c1 ZINC000594440691 468589090 /nfs/dbraw/zinc/58/90/90/468589090.db2.gz HTXZULHILJNDMB-HZPDHXFCSA-N 2 2 343.406 2.176 10 30 EEEELP CC(C)(C[NH2+]C[C@@H](O)CC1(C#N)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000600718667 468633213 /nfs/dbraw/zinc/63/32/13/468633213.db2.gz QVJDJIPCCYQJQV-SFHVURJKSA-N 2 2 327.472 2.468 10 30 EEEELP CC(C)(C[NH2+]C[C@@H](O)CC1(C#N)CC1)[N@H+]1CCc2ccccc2C1 ZINC000600718667 468633217 /nfs/dbraw/zinc/63/32/17/468633217.db2.gz QVJDJIPCCYQJQV-SFHVURJKSA-N 2 2 327.472 2.468 10 30 EEEELP CCCC[C@@H](ON=C(C)C)C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000758326964 577621845 /nfs/dbraw/zinc/62/18/45/577621845.db2.gz TYNGEVYPONSFLN-QGZVFWFLSA-N 2 2 340.512 2.100 10 30 EEEELP Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C)CCC[NH2+]Cc1ccccc1C#N ZINC001485746152 1191928875 /nfs/dbraw/zinc/92/88/75/1191928875.db2.gz ALDJFQKGFPFEAU-AWEZNQCLSA-N 2 2 339.443 2.207 10 30 EEEELP C=CCC[NH2+]CC[C@@H]1CCCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001267887396 1180691369 /nfs/dbraw/zinc/69/13/69/1180691369.db2.gz JGKCOHVCWOZSHM-DLBZAZTESA-N 2 2 330.476 2.240 10 30 EEEELP C=CC[N@@H+](C)CCC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001268200226 1181996773 /nfs/dbraw/zinc/99/67/73/1181996773.db2.gz RQEXNYNEEVLYSC-IAGOWNOFSA-N 2 2 330.476 2.270 10 30 EEEELP C=CC[N@H+](C)CCC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001268200226 1181996776 /nfs/dbraw/zinc/99/67/76/1181996776.db2.gz RQEXNYNEEVLYSC-IAGOWNOFSA-N 2 2 330.476 2.270 10 30 EEEELP C[C@H](CC[NH2+]Cc1ccc(C#N)cc1)NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001268405293 1182519489 /nfs/dbraw/zinc/51/94/89/1182519489.db2.gz LSRMSCSYCCNPLN-LSDHHAIUSA-N 2 2 339.443 2.145 10 30 EEEELP C[C@H](CC[NH2+]Cc1ccc(C#N)cc1)NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001268405293 1182519494 /nfs/dbraw/zinc/51/94/94/1182519494.db2.gz LSRMSCSYCCNPLN-LSDHHAIUSA-N 2 2 339.443 2.145 10 30 EEEELP C=CCC[NH2+][C@H]1CC[C@H](NC(=O)c2cc([C@H]3CCC[N@H+]3C)n[nH]2)CC1 ZINC001482016742 1183134966 /nfs/dbraw/zinc/13/49/66/1183134966.db2.gz FUPRNCZRLUCNTF-IIDMSEBBSA-N 2 2 345.491 2.383 10 30 EEEELP C=CCC[NH2+][C@H]1CC[C@H](NC(=O)c2cc([C@H]3CCC[N@@H+]3C)n[nH]2)CC1 ZINC001482016742 1183134973 /nfs/dbraw/zinc/13/49/73/1183134973.db2.gz FUPRNCZRLUCNTF-IIDMSEBBSA-N 2 2 345.491 2.383 10 30 EEEELP C#CCN(C(=O)[C@@H](C)Cc1c[nH]c[nH+]1)C1CC[NH+](CCCC=C)CC1 ZINC001270351887 1185038457 /nfs/dbraw/zinc/03/84/57/1185038457.db2.gz XENBOHXGNPQBGQ-KRWDZBQOSA-N 2 2 342.487 2.481 10 30 EEEELP C#CCN(C(=O)[C@@H](C)Cc1c[nH+]c[nH]1)C1CC[NH+](CCCC=C)CC1 ZINC001270351887 1185038464 /nfs/dbraw/zinc/03/84/64/1185038464.db2.gz XENBOHXGNPQBGQ-KRWDZBQOSA-N 2 2 342.487 2.481 10 30 EEEELP C=CCC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001271100079 1185884454 /nfs/dbraw/zinc/88/44/54/1185884454.db2.gz HNQDBKIIIPPFEE-KGLIPLIRSA-N 2 2 340.418 2.238 10 30 EEEELP C=CCC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001271100079 1185884460 /nfs/dbraw/zinc/88/44/60/1185884460.db2.gz HNQDBKIIIPPFEE-KGLIPLIRSA-N 2 2 340.418 2.238 10 30 EEEELP C=CCC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001271100079 1185884465 /nfs/dbraw/zinc/88/44/65/1185884465.db2.gz HNQDBKIIIPPFEE-KGLIPLIRSA-N 2 2 340.418 2.238 10 30 EEEELP C=CCC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001271100079 1185884471 /nfs/dbraw/zinc/88/44/71/1185884471.db2.gz HNQDBKIIIPPFEE-KGLIPLIRSA-N 2 2 340.418 2.238 10 30 EEEELP C=CCCC[N@@H+]1C[C@H]2CN(C(=O)C(C)(C)n3c[nH+]c(C)c3)C[C@H]2C1 ZINC001271861574 1186561796 /nfs/dbraw/zinc/56/17/96/1186561796.db2.gz WQXPHYAWFMSTSH-CALCHBBNSA-N 2 2 330.476 2.283 10 30 EEEELP C=CCCC[N@H+]1C[C@H]2CN(C(=O)C(C)(C)n3c[nH+]c(C)c3)C[C@H]2C1 ZINC001271861574 1186561809 /nfs/dbraw/zinc/56/18/09/1186561809.db2.gz WQXPHYAWFMSTSH-CALCHBBNSA-N 2 2 330.476 2.283 10 30 EEEELP C=CCCC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CCc1c[nH+]cn1C ZINC001272042612 1187231560 /nfs/dbraw/zinc/23/15/60/1187231560.db2.gz HKPBFJZOSSITNV-ROUUACIJSA-N 2 2 330.476 2.384 10 30 EEEELP C=CCCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CCc1c[nH+]cn1C ZINC001272042612 1187231563 /nfs/dbraw/zinc/23/15/63/1187231563.db2.gz HKPBFJZOSSITNV-ROUUACIJSA-N 2 2 330.476 2.384 10 30 EEEELP C[C@@H](CC[NH2+]Cc1ccc(C#N)s1)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001482841531 1187760592 /nfs/dbraw/zinc/76/05/92/1187760592.db2.gz IUGJUJKYMYYMPK-NILFDRSVSA-N 2 2 343.456 2.131 10 30 EEEELP C[C@@H](CC[NH2+]Cc1ccc(C#N)s1)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001482841531 1187760597 /nfs/dbraw/zinc/76/05/97/1187760597.db2.gz IUGJUJKYMYYMPK-NILFDRSVSA-N 2 2 343.456 2.131 10 30 EEEELP C=C(C)C[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)Cn1cc[nH+]c1C ZINC001484824025 1191542280 /nfs/dbraw/zinc/54/22/80/1191542280.db2.gz NMYNVBZGIMSWSH-IBGZPJMESA-N 2 2 338.455 2.311 10 30 EEEELP CC(C)[N@H+](C)CC(=O)N[C@H]1CCC[NH+](Cc2ccccc2C#N)[C@@H]1C ZINC001486185546 1193725609 /nfs/dbraw/zinc/72/56/09/1193725609.db2.gz BQENDMOAVNWNAX-APWZRJJASA-N 2 2 342.487 2.368 10 30 EEEELP CC(C)[N@@H+](C)CC(=O)N[C@H]1CCC[NH+](Cc2ccccc2C#N)[C@@H]1C ZINC001486185546 1193725613 /nfs/dbraw/zinc/72/56/13/1193725613.db2.gz BQENDMOAVNWNAX-APWZRJJASA-N 2 2 342.487 2.368 10 30 EEEELP CC(C)[NH+](C)CC(=O)N[C@H]1CCC[N@H+](Cc2ccccc2C#N)[C@@H]1C ZINC001486185546 1193725616 /nfs/dbraw/zinc/72/56/16/1193725616.db2.gz BQENDMOAVNWNAX-APWZRJJASA-N 2 2 342.487 2.368 10 30 EEEELP CC(C)[NH+](C)CC(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2C#N)[C@@H]1C ZINC001486185546 1193725624 /nfs/dbraw/zinc/72/56/24/1193725624.db2.gz BQENDMOAVNWNAX-APWZRJJASA-N 2 2 342.487 2.368 10 30 EEEELP C=C(Cl)C[C@H]([NH3+])c1nc(-c2ccc(N3CC[NH+](C)CC3)nc2)no1 ZINC000872178852 1198074333 /nfs/dbraw/zinc/07/43/33/1198074333.db2.gz UOPLNIQNPJYKOP-ZDUSSCGKSA-N 2 2 348.838 2.026 10 30 EEEELP C=CCC[C@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C)[C@@H]1CCCO1 ZINC000883183535 1202027413 /nfs/dbraw/zinc/02/74/13/1202027413.db2.gz DIRAGDOEDBBUJF-KSZLIROESA-N 2 2 337.508 2.033 10 30 EEEELP C=CCC[C@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)[C@@H]1CCCO1 ZINC000883183535 1202027415 /nfs/dbraw/zinc/02/74/15/1202027415.db2.gz DIRAGDOEDBBUJF-KSZLIROESA-N 2 2 337.508 2.033 10 30 EEEELP C[NH+]1CCC(C/N=C/c2ccc(O)c(O)c2O)([NH+]2CCCCC2)CC1 ZINC000132381477 1202100957 /nfs/dbraw/zinc/10/09/57/1202100957.db2.gz BKDYKYYXRYSLBM-DEDYPNTBSA-N 2 2 347.459 2.173 10 30 EEEELP CC#CC[N@@H+]1CCCCC[C@@H]1CNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001276310236 1215418298 /nfs/dbraw/zinc/41/82/98/1215418298.db2.gz FONYNYRMRSRVJN-QGZVFWFLSA-N 2 2 330.476 2.311 10 30 EEEELP CC#CC[N@H+]1CCCCC[C@@H]1CNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001276310236 1215418299 /nfs/dbraw/zinc/41/82/99/1215418299.db2.gz FONYNYRMRSRVJN-QGZVFWFLSA-N 2 2 330.476 2.311 10 30 EEEELP C=CCOCC[NH+]1CCC(C)(NC(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001278080251 1305882121 /nfs/dbraw/zinc/88/21/21/1305882121.db2.gz QTOAEBPUQZGQBE-MRXNPFEDSA-N 2 2 334.464 2.008 10 30 EEEELP C=C(C)Cn1c([C@@H]2CCC[NH+]2C)nnc1N1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1 ZINC001122441435 1310286753 /nfs/dbraw/zinc/28/67/53/1310286753.db2.gz RVUHRUFCEKDBML-GJYPPUQNSA-N 2 2 344.507 2.009 10 30 EEEELP C=C(C)Cn1c([C@@H]2CCC[NH+]2C)nnc1N1C[C@H]2C[N@H+](C)C[C@@]2(C)C1 ZINC001122441435 1310286754 /nfs/dbraw/zinc/28/67/54/1310286754.db2.gz RVUHRUFCEKDBML-GJYPPUQNSA-N 2 2 344.507 2.009 10 30 EEEELP C=C(C)Cn1c([C@@H]2CCC[N@@H+]2C)nnc1N1C[C@H]2C[NH+](C)C[C@@]2(C)C1 ZINC001122441435 1310286757 /nfs/dbraw/zinc/28/67/57/1310286757.db2.gz RVUHRUFCEKDBML-GJYPPUQNSA-N 2 2 344.507 2.009 10 30 EEEELP C=C(C)Cn1c([C@@H]2CCC[N@H+]2C)nnc1N1C[C@H]2C[NH+](C)C[C@@]2(C)C1 ZINC001122441435 1310286760 /nfs/dbraw/zinc/28/67/60/1310286760.db2.gz RVUHRUFCEKDBML-GJYPPUQNSA-N 2 2 344.507 2.009 10 30 EEEELP C=CCCC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001263887065 1322547079 /nfs/dbraw/zinc/54/70/79/1322547079.db2.gz HVPXAFRVNQGBHB-RBUKOAKNSA-N 2 2 338.455 2.434 10 30 EEEELP C=CCCC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001263887065 1322547083 /nfs/dbraw/zinc/54/70/83/1322547083.db2.gz HVPXAFRVNQGBHB-RBUKOAKNSA-N 2 2 338.455 2.434 10 30 EEEELP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CC[C@@H]1C(F)(F)F ZINC001264594586 1322745296 /nfs/dbraw/zinc/74/52/96/1322745296.db2.gz NAUVGYUYEHFETH-OCCSQVGLSA-N 2 2 344.381 2.145 10 30 EEEELP C#CCC[N@@H+](C)C[C@@H]1CCCCN1C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001264740151 1322797398 /nfs/dbraw/zinc/79/73/98/1322797398.db2.gz GUYNGKHHTUFNCC-SFHVURJKSA-N 2 2 342.487 2.098 10 30 EEEELP C#CCC[N@H+](C)C[C@@H]1CCCCN1C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001264740151 1322797401 /nfs/dbraw/zinc/79/74/01/1322797401.db2.gz GUYNGKHHTUFNCC-SFHVURJKSA-N 2 2 342.487 2.098 10 30 EEEELP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)Cc2cn3cccc(C)c3[nH+]2)C[C@@H]1C ZINC001279162045 1323842541 /nfs/dbraw/zinc/84/25/41/1323842541.db2.gz NVUPHTWUDBURBB-DLBZAZTESA-N 2 2 340.471 2.445 10 30 EEEELP C=C(Cl)C[NH2+]CCN(Cc1ccccc1)C(=O)Cn1cc[nH+]c1 ZINC001279327335 1323875236 /nfs/dbraw/zinc/87/52/36/1323875236.db2.gz CMJQZGDICLRXED-UHFFFAOYSA-N 2 2 332.835 2.254 10 30 EEEELP C=C(C)CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC001283068766 1325907639 /nfs/dbraw/zinc/90/76/39/1325907639.db2.gz CBSHQRVQCLKLKZ-ZHALLVOQSA-N 2 2 349.519 2.080 10 30 EEEELP C=C(C)CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2COCC[N@H+]2C2CCCC2)C1 ZINC001283068766 1325907641 /nfs/dbraw/zinc/90/76/41/1325907641.db2.gz CBSHQRVQCLKLKZ-ZHALLVOQSA-N 2 2 349.519 2.080 10 30 EEEELP C#CC[NH2+][C@@H]1CCCCCN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001316770357 1331883302 /nfs/dbraw/zinc/88/33/02/1331883302.db2.gz JOTOHHHYYBADPW-MSOLQXFVSA-N 2 2 330.476 2.464 10 30 EEEELP C=CC[NH+]1CCC(N(CCC)C(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC001317005562 1332041169 /nfs/dbraw/zinc/04/11/69/1332041169.db2.gz HHEVWGSYKHZNDN-MRXNPFEDSA-N 2 2 330.476 2.335 10 30 EEEELP C=CCOCC[NH2+][C@@H]1CCN(C(=O)c2cccc3[nH+]ccn32)[C@H](C)C1 ZINC001324070824 1333601609 /nfs/dbraw/zinc/60/16/09/1333601609.db2.gz BVSSTKXFPOAXDA-HZPDHXFCSA-N 2 2 342.443 2.120 10 30 EEEELP C#CCN(C(=O)Cc1[nH]cc[nH+]1)C1CC[NH+](CC(CC)CC)CC1 ZINC001324431946 1333681718 /nfs/dbraw/zinc/68/17/18/1333681718.db2.gz LBLZHCOYMROEGB-UHFFFAOYSA-N 2 2 330.476 2.315 10 30 EEEELP C#CCN(C(=O)Cc1c[nH+]cn1C)C1CC[NH+](CC(CC)CC)CC1 ZINC001324432266 1333682170 /nfs/dbraw/zinc/68/21/70/1333682170.db2.gz QCUXZAHMQHRYGV-UHFFFAOYSA-N 2 2 344.503 2.325 10 30 EEEELP CC#CC[N@@H+](CC)CC1CCN(C(=O)CCCn2cc[nH+]c2)CC1 ZINC001328588912 1334484872 /nfs/dbraw/zinc/48/48/72/1334484872.db2.gz PJMHMWZJNOJIRK-UHFFFAOYSA-N 2 2 330.476 2.247 10 30 EEEELP CC#CC[N@H+](CC)CC1CCN(C(=O)CCCn2cc[nH+]c2)CC1 ZINC001328588912 1334484877 /nfs/dbraw/zinc/48/48/77/1334484877.db2.gz PJMHMWZJNOJIRK-UHFFFAOYSA-N 2 2 330.476 2.247 10 30 EEEELP C[C@H](CNC(=O)Cn1cc[nH+]c1)[N@H+](C)CC#Cc1ccccc1Cl ZINC001329628764 1334687368 /nfs/dbraw/zinc/68/73/68/1334687368.db2.gz UEBLKXHHVAXHTG-OAHLLOKOSA-N 2 2 344.846 2.025 10 30 EEEELP C[C@H](CNC(=O)Cn1cc[nH+]c1)[N@@H+](C)CC#Cc1ccccc1Cl ZINC001329628764 1334687374 /nfs/dbraw/zinc/68/73/74/1334687374.db2.gz UEBLKXHHVAXHTG-OAHLLOKOSA-N 2 2 344.846 2.025 10 30 EEEELP CCN(CC[NH2+]Cc1ccc(C#N)s1)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001668569987 1355964771 /nfs/dbraw/zinc/96/47/71/1355964771.db2.gz JMGGEEYHPJQDDW-AWEZNQCLSA-N 2 2 345.472 2.406 10 30 EEEELP C=C(C)C[NH2+]CCC[C@@H](C)NC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC001675959533 1357078439 /nfs/dbraw/zinc/07/84/39/1357078439.db2.gz ZJXZGMHVHSUTKI-SJLPKXTDSA-N 2 2 337.508 2.080 10 30 EEEELP C=C(C)C[NH2+]CCC[C@@H](C)NC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC001675959533 1357078442 /nfs/dbraw/zinc/07/84/42/1357078442.db2.gz ZJXZGMHVHSUTKI-SJLPKXTDSA-N 2 2 337.508 2.080 10 30 EEEELP C=C(C)CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001656346210 1354224585 /nfs/dbraw/zinc/22/45/85/1354224585.db2.gz PMQCUWGPOCSZBD-YLFCFFPRSA-N 2 2 330.476 2.364 10 30 EEEELP C#CC[NH+]1CCC(N(CCC)C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC001661093890 1354589834 /nfs/dbraw/zinc/58/98/34/1354589834.db2.gz DZARMNBSCJZLRS-QGZVFWFLSA-N 2 2 342.487 2.090 10 30 EEEELP C=CCCC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001662845218 1354862904 /nfs/dbraw/zinc/86/29/04/1354862904.db2.gz MICDELPMZKZBKW-FUHWJXTLSA-N 2 2 330.476 2.335 10 30 EEEELP C=CCCC[N@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001662845218 1354862909 /nfs/dbraw/zinc/86/29/09/1354862909.db2.gz MICDELPMZKZBKW-FUHWJXTLSA-N 2 2 330.476 2.335 10 30 EEEELP 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MGOAIFBJKLHUKI-HZPDHXFCSA-N 2 2 336.867 2.481 10 30 EEEELP C=C(Cl)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CCCn1cc[nH+]c1 ZINC001440201680 1093273572 /nfs/dbraw/zinc/27/35/72/1093273572.db2.gz MGOAIFBJKLHUKI-HZPDHXFCSA-N 2 2 336.867 2.481 10 30 EEEELP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](Cc2ccc(C#N)s2)CC1(C)C ZINC001448418842 1093427710 /nfs/dbraw/zinc/42/77/10/1093427710.db2.gz PHMGOUJCJMEANL-MRXNPFEDSA-N 2 2 348.516 2.288 10 30 EEEELP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](Cc2ccc(C#N)s2)CC1(C)C ZINC001448418842 1093427718 /nfs/dbraw/zinc/42/77/18/1093427718.db2.gz PHMGOUJCJMEANL-MRXNPFEDSA-N 2 2 348.516 2.288 10 30 EEEELP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)s2)CC1(C)C ZINC001448418842 1093427721 /nfs/dbraw/zinc/42/77/21/1093427721.db2.gz PHMGOUJCJMEANL-MRXNPFEDSA-N 2 2 348.516 2.288 10 30 EEEELP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)CC1(C)C ZINC001448418842 1093427724 /nfs/dbraw/zinc/42/77/24/1093427724.db2.gz PHMGOUJCJMEANL-MRXNPFEDSA-N 2 2 348.516 2.288 10 30 EEEELP C[C@H](CC(=O)NC[C@@H](C)[N@H+](C)Cc1cccc(C#N)c1)n1cc[nH+]c1 ZINC001440973696 1094233867 /nfs/dbraw/zinc/23/38/67/1094233867.db2.gz JVXIIFBCJDVOFV-HZPDHXFCSA-N 2 2 339.443 2.343 10 30 EEEELP C[C@H](CC(=O)NC[C@@H](C)[N@@H+](C)Cc1cccc(C#N)c1)n1cc[nH+]c1 ZINC001440973696 1094233871 /nfs/dbraw/zinc/23/38/71/1094233871.db2.gz JVXIIFBCJDVOFV-HZPDHXFCSA-N 2 2 339.443 2.343 10 30 EEEELP C=CCCC[N@H+]1CC[C@H](NC(=O)c2cc([C@@H]3CCC[NH+]3C)n[nH]2)[C@H]1C ZINC001479705434 1098780082 /nfs/dbraw/zinc/78/00/82/1098780082.db2.gz AWFHBSDJQLLDDX-VKJFTORMSA-N 2 2 345.491 2.335 10 30 EEEELP C=CCCC[N@@H+]1CC[C@H](NC(=O)c2cc([C@@H]3CCC[NH+]3C)n[nH]2)[C@H]1C ZINC001479705434 1098780091 /nfs/dbraw/zinc/78/00/91/1098780091.db2.gz AWFHBSDJQLLDDX-VKJFTORMSA-N 2 2 345.491 2.335 10 30 EEEELP C=CCCC[NH+]1CC[C@H](NC(=O)c2cc([C@@H]3CCC[N@@H+]3C)n[nH]2)[C@H]1C ZINC001479705434 1098780101 /nfs/dbraw/zinc/78/01/01/1098780101.db2.gz AWFHBSDJQLLDDX-VKJFTORMSA-N 2 2 345.491 2.335 10 30 EEEELP C=CCCC[NH+]1CC[C@H](NC(=O)c2cc([C@@H]3CCC[N@H+]3C)n[nH]2)[C@H]1C ZINC001479705434 1098780121 /nfs/dbraw/zinc/78/01/21/1098780121.db2.gz AWFHBSDJQLLDDX-VKJFTORMSA-N 2 2 345.491 2.335 10 30 EEEELP COCC#CC[NH2+][C@H]1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)C[C@@H]1C ZINC001496352695 1100946327 /nfs/dbraw/zinc/94/63/27/1100946327.db2.gz VBKIHAZNPMUKOS-YJBOKZPZSA-N 2 2 343.471 2.097 10 30 EEEELP C=C(C)CC[N@@H+]1CCO[C@@H](CNC(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001495884977 1101716614 /nfs/dbraw/zinc/71/66/14/1101716614.db2.gz PBPYNQUKZFRIME-RBUKOAKNSA-N 2 2 345.487 2.073 10 30 EEEELP C=C(C)CC[N@H+]1CCO[C@@H](CNC(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001495884977 1101716623 /nfs/dbraw/zinc/71/66/23/1101716623.db2.gz PBPYNQUKZFRIME-RBUKOAKNSA-N 2 2 345.487 2.073 10 30 EEEELP O=C(Cc1[nH]cc[nH+]1)NCC1([NH2+]CC#Cc2ccccc2)CCCC1 ZINC001495962566 1101839413 /nfs/dbraw/zinc/83/94/13/1101839413.db2.gz XHZVLBVIJAAMAK-UHFFFAOYSA-N 2 2 336.439 2.023 10 30 EEEELP CC#CC[N@H+](C)C[C@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001494150580 1103609985 /nfs/dbraw/zinc/60/99/85/1103609985.db2.gz ULZZMJHWMXIYEA-QGZVFWFLSA-N 2 2 336.439 2.290 10 30 EEEELP CC#CC[N@@H+](C)C[C@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001494150580 1103609988 /nfs/dbraw/zinc/60/99/88/1103609988.db2.gz ULZZMJHWMXIYEA-QGZVFWFLSA-N 2 2 336.439 2.290 10 30 EEEELP C[C@H](CCNC(=O)C[C@H](C)n1cc[nH+]c1)[NH2+]Cc1cccc(C#N)c1 ZINC001480795091 1107130484 /nfs/dbraw/zinc/13/04/84/1107130484.db2.gz OSUYFSBCUKNSHO-CVEARBPZSA-N 2 2 339.443 2.390 10 30 EEEELP C=CCOCC[NH2+][C@H]1C[C@H](CNC(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001479383938 1110689414 /nfs/dbraw/zinc/68/94/14/1110689414.db2.gz OJRGZCRIJMKDQY-QAQDUYKDSA-N 2 2 331.460 2.307 10 30 EEEELP C=CCCC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001502137849 1113611447 /nfs/dbraw/zinc/61/14/47/1113611447.db2.gz MCSGMOJNTRBVIB-BRWVUGGUSA-N 2 2 330.476 2.461 10 30 EEEELP C=CCCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001502137849 1113611450 /nfs/dbraw/zinc/61/14/50/1113611450.db2.gz MCSGMOJNTRBVIB-BRWVUGGUSA-N 2 2 330.476 2.461 10 30 EEEELP CC(C)[N@H+](C)CC(=O)N[C@@H]1CCC[NH+](Cc2ccc(C#N)s2)[C@H]1C ZINC001507384306 1115242968 /nfs/dbraw/zinc/24/29/68/1115242968.db2.gz DVZIUFCTYJNSMK-WMLDXEAASA-N 2 2 348.516 2.429 10 30 EEEELP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CCC[NH+](Cc2ccc(C#N)s2)[C@H]1C ZINC001507384306 1115242969 /nfs/dbraw/zinc/24/29/69/1115242969.db2.gz DVZIUFCTYJNSMK-WMLDXEAASA-N 2 2 348.516 2.429 10 30 EEEELP CC(C)[NH+](C)CC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(C#N)s2)[C@H]1C ZINC001507384306 1115242972 /nfs/dbraw/zinc/24/29/72/1115242972.db2.gz DVZIUFCTYJNSMK-WMLDXEAASA-N 2 2 348.516 2.429 10 30 EEEELP CC(C)[NH+](C)CC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(C#N)s2)[C@H]1C ZINC001507384306 1115242976 /nfs/dbraw/zinc/24/29/76/1115242976.db2.gz DVZIUFCTYJNSMK-WMLDXEAASA-N 2 2 348.516 2.429 10 30 EEEELP C#CC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)Cc2cn3cccc(C)c3[nH+]2)C1 ZINC001568414588 1124481775 /nfs/dbraw/zinc/48/17/75/1124481775.db2.gz MWFDGOFWMOUBQA-IAGOWNOFSA-N 2 2 338.455 2.035 10 30 EEEELP C=CCOc1ccccc1C[NH+]1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000678258519 539985857 /nfs/dbraw/zinc/98/58/57/539985857.db2.gz BILXJYIYFUWXBL-LJQANCHMSA-N 2 2 329.488 2.463 10 30 EEEELP C=CCOc1ccccc1C[NH+]1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000678258519 539985862 /nfs/dbraw/zinc/98/58/62/539985862.db2.gz BILXJYIYFUWXBL-LJQANCHMSA-N 2 2 329.488 2.463 10 30 EEEELP N#Cc1ccc(C[NH+]2CCC([NH2+][C@@H]3CCC[C@@H](C(N)=O)C3)CC2)cc1 ZINC000181781505 323356004 /nfs/dbraw/zinc/35/60/04/323356004.db2.gz PLUQBACZLQCQKK-IEBWSBKVSA-N 2 2 340.471 2.156 10 30 EEEELP C[C@@H]1CN(C(=O)N[C@@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)C[C@H]1[NH+](C)C ZINC000329776741 465431330 /nfs/dbraw/zinc/43/13/30/465431330.db2.gz OJHJVZLCMOEMJL-RBSFLKMASA-N 2 2 347.507 2.291 10 30 EEEELP [O-]C(=[NH+][C@@H]1CCn2cc[nH+]c2C1)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000330243114 465584180 /nfs/dbraw/zinc/58/41/80/465584180.db2.gz CKRPTJIUUOYQQA-CVEARBPZSA-N 2 2 331.464 2.062 10 30 EEEELP Cc1cc(NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)c(C#N)cn1 ZINC000580065722 468460374 /nfs/dbraw/zinc/46/03/74/468460374.db2.gz PLLSHWVPPMQLJF-UHFFFAOYSA-N 2 2 327.476 2.046 10 30 EEEELP CC(C)(C[NH2+]C[C@H](O)CC1(C#N)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000600718665 468633252 /nfs/dbraw/zinc/63/32/52/468633252.db2.gz QVJDJIPCCYQJQV-GOSISDBHSA-N 2 2 327.472 2.468 10 30 EEEELP CC(C)(C[NH2+]C[C@H](O)CC1(C#N)CC1)[N@H+]1CCc2ccccc2C1 ZINC000600718665 468633255 /nfs/dbraw/zinc/63/32/55/468633255.db2.gz QVJDJIPCCYQJQV-GOSISDBHSA-N 2 2 327.472 2.468 10 30 EEEELP C[N@@H+]1CCN(Cc2ccccc2)[C@H](C[NH2+]Cc2ccc(C#N)cc2)C1 ZINC000594993116 468740277 /nfs/dbraw/zinc/74/02/77/468740277.db2.gz BYONQVXSVFZKBM-OAQYLSRUSA-N 2 2 334.467 2.464 10 30 EEEELP C[N@H+]1CCN(Cc2ccccc2)[C@H](C[NH2+]Cc2ccc(C#N)cc2)C1 ZINC000594993116 468740282 /nfs/dbraw/zinc/74/02/82/468740282.db2.gz BYONQVXSVFZKBM-OAQYLSRUSA-N 2 2 334.467 2.464 10 30 EEEELP C=CC[C@]1(C(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)CCC[NH2+]1 ZINC000662662731 472193100 /nfs/dbraw/zinc/19/31/00/472193100.db2.gz CSOYRFZQPYBFSJ-LJQANCHMSA-N 2 2 329.444 2.156 10 30 EEEELP C#CCOc1ccc(C[NH+]2CCC([N@H+]3CCO[C@@H](C)C3)CC2)cc1 ZINC000092079518 527099696 /nfs/dbraw/zinc/09/96/96/527099696.db2.gz QDFRXJMMTUERKN-KRWDZBQOSA-N 2 2 328.456 2.384 10 30 EEEELP C#CCOc1ccc(C[NH+]2CCC([N@@H+]3CCO[C@@H](C)C3)CC2)cc1 ZINC000092079518 527099697 /nfs/dbraw/zinc/09/96/97/527099697.db2.gz QDFRXJMMTUERKN-KRWDZBQOSA-N 2 2 328.456 2.384 10 30 EEEELP C=CCCCCC[NH2+][C@H]1CCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001266535103 1176775347 /nfs/dbraw/zinc/77/53/47/1176775347.db2.gz TUOYIDWLKQAROB-IRXDYDNUSA-N 2 2 330.476 2.382 10 30 EEEELP C#CCC[N@@H+](CCCNC(=O)Cc1cn2cccc(C)c2[nH+]1)C(C)C ZINC001267510280 1179219176 /nfs/dbraw/zinc/21/91/76/1179219176.db2.gz JFNAWFVEFZCWGK-UHFFFAOYSA-N 2 2 340.471 2.425 10 30 EEEELP C#CCC[N@H+](CCCNC(=O)Cc1cn2cccc(C)c2[nH+]1)C(C)C ZINC001267510280 1179219180 /nfs/dbraw/zinc/21/91/80/1179219180.db2.gz JFNAWFVEFZCWGK-UHFFFAOYSA-N 2 2 340.471 2.425 10 30 EEEELP C=C(C)C[NH2+][C@H](CNC(=O)[C@@H]1CCc2[nH+]ccn2C1)c1ccccc1 ZINC001481364772 1181130149 /nfs/dbraw/zinc/13/01/49/1181130149.db2.gz FYNKJCJSNCJSNB-QZTJIDSGSA-N 2 2 338.455 2.469 10 30 EEEELP C=CCCCCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCc1c[nH+]cn1C ZINC001268984189 1183874454 /nfs/dbraw/zinc/87/44/54/1183874454.db2.gz XYBNLXODSRPMOM-ROUUACIJSA-N 2 2 330.476 2.384 10 30 EEEELP C=CCCCCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCc1c[nH+]cn1C ZINC001268984189 1183874460 /nfs/dbraw/zinc/87/44/60/1183874460.db2.gz XYBNLXODSRPMOM-ROUUACIJSA-N 2 2 330.476 2.384 10 30 EEEELP C#CCN(C(=O)[C@H](C)Cc1c[nH]c[nH+]1)C1CC[NH+](CCCC=C)CC1 ZINC001270351888 1185037912 /nfs/dbraw/zinc/03/79/12/1185037912.db2.gz XENBOHXGNPQBGQ-QGZVFWFLSA-N 2 2 342.487 2.481 10 30 EEEELP C#CCN(C(=O)[C@H](C)Cc1c[nH+]c[nH]1)C1CC[NH+](CCCC=C)CC1 ZINC001270351888 1185037919 /nfs/dbraw/zinc/03/79/19/1185037919.db2.gz XENBOHXGNPQBGQ-QGZVFWFLSA-N 2 2 342.487 2.481 10 30 EEEELP C=C(Cl)C[NH2+]CC[C@@H]1CCCCN1C(=O)CCc1c[nH+]cn1C ZINC001482460875 1185925644 /nfs/dbraw/zinc/92/56/44/1185925644.db2.gz FGHPLKXTVUTVJL-HNNXBMFYSA-N 2 2 338.883 2.466 10 30 EEEELP C#CCC[N@@H+](C)CCC1CCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001482507454 1186425826 /nfs/dbraw/zinc/42/58/26/1186425826.db2.gz MSXPRBVEROUARA-MRXNPFEDSA-N 2 2 330.476 2.172 10 30 EEEELP C#CCC[N@H+](C)CCC1CCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001482507454 1186425828 /nfs/dbraw/zinc/42/58/28/1186425828.db2.gz MSXPRBVEROUARA-MRXNPFEDSA-N 2 2 330.476 2.172 10 30 EEEELP C#CCC[N@@H+](C)CCC1CCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001482507454 1186425831 /nfs/dbraw/zinc/42/58/31/1186425831.db2.gz MSXPRBVEROUARA-MRXNPFEDSA-N 2 2 330.476 2.172 10 30 EEEELP C#CCC[N@H+](C)CCC1CCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001482507454 1186425834 /nfs/dbraw/zinc/42/58/34/1186425834.db2.gz MSXPRBVEROUARA-MRXNPFEDSA-N 2 2 330.476 2.172 10 30 EEEELP C=CCCCCC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001483662540 1190724925 /nfs/dbraw/zinc/72/49/25/1190724925.db2.gz VRUKCAYPQIPUEF-SJORKVTESA-N 2 2 330.476 2.382 10 30 EEEELP C=CCCCCC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001483662540 1190724927 /nfs/dbraw/zinc/72/49/27/1190724927.db2.gz VRUKCAYPQIPUEF-SJORKVTESA-N 2 2 330.476 2.382 10 30 EEEELP C#CC[NH2+][C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)c1ccccc1CC ZINC001484325062 1191305764 /nfs/dbraw/zinc/30/57/64/1191305764.db2.gz XOPDXMVQUPATDL-RBUKOAKNSA-N 2 2 327.472 2.113 10 30 EEEELP C=C(Cl)C[NH2+]CC[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001484537935 1191404526 /nfs/dbraw/zinc/40/45/26/1191404526.db2.gz QAFDOAYTTNTGDU-RBSFLKMASA-N 2 2 336.867 2.104 10 30 EEEELP CN(C[C@@H]1CC[N@@H+]1CC#Cc1ccccc1)C(=O)CCCC[NH+](C)C ZINC001691675096 1197473962 /nfs/dbraw/zinc/47/39/62/1197473962.db2.gz SODCVNFNISLMBZ-FQEVSTJZSA-N 2 2 341.499 2.303 10 30 EEEELP CN(C[C@@H]1CC[N@H+]1CC#Cc1ccccc1)C(=O)CCCC[NH+](C)C ZINC001691675096 1197473964 /nfs/dbraw/zinc/47/39/64/1197473964.db2.gz SODCVNFNISLMBZ-FQEVSTJZSA-N 2 2 341.499 2.303 10 30 EEEELP C=CC[NH2+]CCCOC1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001276164621 1205807911 /nfs/dbraw/zinc/80/79/11/1205807911.db2.gz OINAFPJLYZPYKM-UHFFFAOYSA-N 2 2 342.443 2.350 10 30 EEEELP c1cn(CC[NH+]=C(NCCc2ccccn2)NCc2ccccc2)c[nH+]1 ZINC000075127758 1208621613 /nfs/dbraw/zinc/62/16/13/1208621613.db2.gz VINSINNIBKPYGN-UHFFFAOYSA-N 2 2 348.454 2.256 10 30 EEEELP C=CCC[C@@H](C)[NH2+][C@H]1C[C@@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001491018768 1258574972 /nfs/dbraw/zinc/57/49/72/1258574972.db2.gz QLNPOAAHUFCTIP-OAGGEKHMSA-N 2 2 330.476 2.353 10 30 EEEELP C=CCCC[N@@H+](C)C[C@H]1CCCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC001490764899 1291700151 /nfs/dbraw/zinc/70/01/51/1291700151.db2.gz HFYBDOCWMNKCFY-QGZVFWFLSA-N 2 2 332.492 2.489 10 30 EEEELP C=CCCC[N@H+](C)C[C@H]1CCCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC001490764899 1291700159 /nfs/dbraw/zinc/70/01/59/1291700159.db2.gz HFYBDOCWMNKCFY-QGZVFWFLSA-N 2 2 332.492 2.489 10 30 EEEELP C=C(C)CC[NH2+]Cc1ccc(CNC(=O)Cc2c[nH]c[nH+]2)c(F)c1 ZINC001279716491 1323985429 /nfs/dbraw/zinc/98/54/29/1323985429.db2.gz SMSSKIIDZOMYMQ-UHFFFAOYSA-N 2 2 330.407 2.464 10 30 EEEELP C=CCC[NH2+]C1(CC)CCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC001281020611 1324722691 /nfs/dbraw/zinc/72/26/91/1324722691.db2.gz BIZNCNZENXOQRK-INIZCTEOSA-N 2 2 330.476 2.382 10 30 EEEELP CC#CC[NH2+][C@@H](CCN(C)C(=O)C(C)(C)n1c[nH+]c(C)c1)C(C)C ZINC001282557291 1325740796 /nfs/dbraw/zinc/74/07/96/1325740796.db2.gz BZRHZXQUOZGUGG-KRWDZBQOSA-N 2 2 332.492 2.413 10 30 EEEELP C=C(C)C[NH2+][C@@H](C)C1CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC001317673006 1332363845 /nfs/dbraw/zinc/36/38/45/1332363845.db2.gz DFWWLQYLDFBOJD-RDJZCZTQSA-N 2 2 330.476 2.238 10 30 EEEELP CC[C@H](CNC(=O)Cc1[nH]cc[nH+]1)[NH2+]CC#Cc1ccc(Cl)cc1 ZINC001318593045 1332565039 /nfs/dbraw/zinc/56/50/39/1332565039.db2.gz YPXZOCAKPVHECP-MRXNPFEDSA-N 2 2 344.846 2.142 10 30 EEEELP C=CCC[NH2+]CC1(NC(=O)c2cc([C@@H]3CCC[N@H+]3C)n[nH]2)CCCC1 ZINC001318636332 1332570951 /nfs/dbraw/zinc/57/09/51/1332570951.db2.gz PQLOBRPFZZSDCJ-KRWDZBQOSA-N 2 2 345.491 2.385 10 30 EEEELP C=CCC[NH2+]CC1(NC(=O)c2cc([C@@H]3CCC[N@@H+]3C)n[nH]2)CCCC1 ZINC001318636332 1332570954 /nfs/dbraw/zinc/57/09/54/1332570954.db2.gz PQLOBRPFZZSDCJ-KRWDZBQOSA-N 2 2 345.491 2.385 10 30 EEEELP CC#CC[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001319849580 1332783667 /nfs/dbraw/zinc/78/36/67/1332783667.db2.gz PLCLNBUWHONANE-SJLPKXTDSA-N 2 2 342.487 2.002 10 30 EEEELP C=CCC[C@H](C)[N@@H+]1CC[C@H]1CNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001323244201 1333420321 /nfs/dbraw/zinc/42/03/21/1333420321.db2.gz UZZNDSWUGRIEEB-RDJZCZTQSA-N 2 2 330.476 2.307 10 30 EEEELP C=CCC[C@H](C)[N@H+]1CC[C@H]1CNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001323244201 1333420326 /nfs/dbraw/zinc/42/03/26/1333420326.db2.gz UZZNDSWUGRIEEB-RDJZCZTQSA-N 2 2 330.476 2.307 10 30 EEEELP C=CCCC[N@@H+](CC)CC1CCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC001328588565 1334484679 /nfs/dbraw/zinc/48/46/79/1334484679.db2.gz FTFUPNZZTIPOEP-UHFFFAOYSA-N 2 2 332.492 2.489 10 30 EEEELP C=CCCC[N@H+](CC)CC1CCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC001328588565 1334484681 /nfs/dbraw/zinc/48/46/81/1334484681.db2.gz FTFUPNZZTIPOEP-UHFFFAOYSA-N 2 2 332.492 2.489 10 30 EEEELP CC#CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001502532059 1342203713 /nfs/dbraw/zinc/20/37/13/1342203713.db2.gz JCCIWMJIGCRFAV-UXHICEINSA-N 2 2 341.499 2.139 10 30 EEEELP CC#CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001502532059 1342203716 /nfs/dbraw/zinc/20/37/16/1342203716.db2.gz JCCIWMJIGCRFAV-UXHICEINSA-N 2 2 341.499 2.139 10 30 EEEELP CC(C)c1[nH+]ccn1CC(=O)NCC[N@H+](C)CC#Cc1ccccc1 ZINC001567307461 1342737107 /nfs/dbraw/zinc/73/71/07/1342737107.db2.gz ZREGLFDHBPIKMU-UHFFFAOYSA-N 2 2 338.455 2.106 10 30 EEEELP CC(C)c1[nH+]ccn1CC(=O)NCC[N@@H+](C)CC#Cc1ccccc1 ZINC001567307461 1342737109 /nfs/dbraw/zinc/73/71/09/1342737109.db2.gz ZREGLFDHBPIKMU-UHFFFAOYSA-N 2 2 338.455 2.106 10 30 EEEELP C=CC[N@@H+](C)CCN(CC)C(=O)[C@H]1CC[NH+]1Cc1ccc(OC)cc1 ZINC001635757823 1352651578 /nfs/dbraw/zinc/65/15/78/1352651578.db2.gz NAWGKAFFTSKASM-LJQANCHMSA-N 2 2 345.487 2.236 10 30 EEEELP C=CC[N@H+](C)CCN(CC)C(=O)[C@H]1CC[NH+]1Cc1ccc(OC)cc1 ZINC001635757823 1352651580 /nfs/dbraw/zinc/65/15/80/1352651580.db2.gz NAWGKAFFTSKASM-LJQANCHMSA-N 2 2 345.487 2.236 10 30 EEEELP C=CC[NH+](C)CCN(CC)C(=O)[C@H]1CC[N@@H+]1Cc1ccc(OC)cc1 ZINC001635757823 1352651582 /nfs/dbraw/zinc/65/15/82/1352651582.db2.gz NAWGKAFFTSKASM-LJQANCHMSA-N 2 2 345.487 2.236 10 30 EEEELP C=CC[NH+](C)CCN(CC)C(=O)[C@H]1CC[N@H+]1Cc1ccc(OC)cc1 ZINC001635757823 1352651584 /nfs/dbraw/zinc/65/15/84/1352651584.db2.gz NAWGKAFFTSKASM-LJQANCHMSA-N 2 2 345.487 2.236 10 30 EEEELP C#CCN(C(=O)CCCn1cc[nH+]c1)C1CC[NH+](C[C@H](F)CC)CC1 ZINC001671507764 1356352492 /nfs/dbraw/zinc/35/24/92/1356352492.db2.gz ICKYULVSWNROEM-QGZVFWFLSA-N 2 2 348.466 2.338 10 30 EEEELP C=CCC[N@H+]1CCC[C@](C)(CNC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001671891334 1356432071 /nfs/dbraw/zinc/43/20/71/1356432071.db2.gz ANBXKGUJWWIFTJ-VQIMIIECSA-N 2 2 330.476 2.240 10 30 EEEELP C=CCC[N@@H+]1CCC[C@](C)(CNC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001671891334 1356432073 /nfs/dbraw/zinc/43/20/73/1356432073.db2.gz ANBXKGUJWWIFTJ-VQIMIIECSA-N 2 2 330.476 2.240 10 30 EEEELP N#Cc1cccc(C[N@H+]2CCCC[C@H]2CNC(=O)C[NH+]2CCCC2)c1 ZINC001437054382 1088948999 /nfs/dbraw/zinc/94/89/99/1088948999.db2.gz YHMCUHMVJZNNCS-IBGZPJMESA-N 2 2 340.471 2.125 10 30 EEEELP C[C@@H](C[N@H+](C)Cc1ccc(C#N)cc1)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001439332860 1092021058 /nfs/dbraw/zinc/02/10/58/1092021058.db2.gz LXOYGQJJUUITBH-IAOVAPTHSA-N 2 2 337.427 2.022 10 30 EEEELP C[C@@H](C[N@@H+](C)Cc1ccc(C#N)cc1)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001439332860 1092021068 /nfs/dbraw/zinc/02/10/68/1092021068.db2.gz LXOYGQJJUUITBH-IAOVAPTHSA-N 2 2 337.427 2.022 10 30 EEEELP CC(C)[N@H+](C)CC(=O)NC[C@H]1CCC[NH+]1Cc1cc(C#N)ccc1F ZINC001442845695 1097237124 /nfs/dbraw/zinc/23/71/24/1097237124.db2.gz KRPJONWPNMQPOK-QGZVFWFLSA-N 2 2 346.450 2.118 10 30 EEEELP CC(C)[N@@H+](C)CC(=O)NC[C@H]1CCC[NH+]1Cc1cc(C#N)ccc1F ZINC001442845695 1097237127 /nfs/dbraw/zinc/23/71/27/1097237127.db2.gz KRPJONWPNMQPOK-QGZVFWFLSA-N 2 2 346.450 2.118 10 30 EEEELP CC(C)[NH+](C)CC(=O)NC[C@H]1CCC[N@@H+]1Cc1cc(C#N)ccc1F ZINC001442845695 1097237131 /nfs/dbraw/zinc/23/71/31/1097237131.db2.gz KRPJONWPNMQPOK-QGZVFWFLSA-N 2 2 346.450 2.118 10 30 EEEELP CC(C)[NH+](C)CC(=O)NC[C@H]1CCC[N@H+]1Cc1cc(C#N)ccc1F ZINC001442845695 1097237134 /nfs/dbraw/zinc/23/71/34/1097237134.db2.gz KRPJONWPNMQPOK-QGZVFWFLSA-N 2 2 346.450 2.118 10 30 EEEELP C=CCCC[N@H+]1CC[C@H](NC(=O)c2cc([C@H]3CCC[NH+]3C)n[nH]2)[C@H]1C ZINC001479705432 1098778925 /nfs/dbraw/zinc/77/89/25/1098778925.db2.gz AWFHBSDJQLLDDX-RVKKMQEKSA-N 2 2 345.491 2.335 10 30 EEEELP C=CCCC[N@@H+]1CC[C@H](NC(=O)c2cc([C@H]3CCC[NH+]3C)n[nH]2)[C@H]1C ZINC001479705432 1098778933 /nfs/dbraw/zinc/77/89/33/1098778933.db2.gz AWFHBSDJQLLDDX-RVKKMQEKSA-N 2 2 345.491 2.335 10 30 EEEELP C=CCCC[NH+]1CC[C@H](NC(=O)c2cc([C@H]3CCC[N@@H+]3C)n[nH]2)[C@H]1C ZINC001479705432 1098778944 /nfs/dbraw/zinc/77/89/44/1098778944.db2.gz AWFHBSDJQLLDDX-RVKKMQEKSA-N 2 2 345.491 2.335 10 30 EEEELP C=CCCC[NH+]1CC[C@H](NC(=O)c2cc([C@H]3CCC[N@H+]3C)n[nH]2)[C@H]1C ZINC001479705432 1098778953 /nfs/dbraw/zinc/77/89/53/1098778953.db2.gz AWFHBSDJQLLDDX-RVKKMQEKSA-N 2 2 345.491 2.335 10 30 EEEELP C[C@H](C[NH2+]Cc1ccc(C#N)s1)N(C)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001444630688 1099457084 /nfs/dbraw/zinc/45/70/84/1099457084.db2.gz WJOQTPUUWSCDIB-KCPJHIHWSA-N 2 2 343.456 2.083 10 30 EEEELP C[C@H](C[NH2+]Cc1ccc(C#N)s1)N(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001444630688 1099457092 /nfs/dbraw/zinc/45/70/92/1099457092.db2.gz WJOQTPUUWSCDIB-KCPJHIHWSA-N 2 2 343.456 2.083 10 30 EEEELP CN(CCC[NH2+]CC#Cc1ccccc1)C(=O)CCCn1cc[nH+]c1 ZINC001498661143 1107915079 /nfs/dbraw/zinc/91/50/79/1107915079.db2.gz PYZDKDNTSGJEBD-UHFFFAOYSA-N 2 2 338.455 2.153 10 30 EEEELP C=C(Cl)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H](c3ccccc3)[NH+](C)C)[C@@H]2C1 ZINC001506829173 1114899037 /nfs/dbraw/zinc/89/90/37/1114899037.db2.gz KLPQRQPPTBYRFW-FJIDUMEYSA-N 2 2 347.890 2.336 10 30 EEEELP C=C(Cl)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H](c3ccccc3)[NH+](C)C)[C@@H]2C1 ZINC001506829173 1114899040 /nfs/dbraw/zinc/89/90/40/1114899040.db2.gz KLPQRQPPTBYRFW-FJIDUMEYSA-N 2 2 347.890 2.336 10 30 EEEELP C=C(C)C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)CCc3[nH+]ccn3C)C[C@H]2C1 ZINC001506860608 1114926975 /nfs/dbraw/zinc/92/69/75/1114926975.db2.gz XKFHJNYACNDFAW-YESZJQIVSA-N 2 2 330.476 2.146 10 30 EEEELP C=C(C)C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)CCc3[nH+]ccn3C)C[C@H]2C1 ZINC001506860608 1114926976 /nfs/dbraw/zinc/92/69/76/1114926976.db2.gz XKFHJNYACNDFAW-YESZJQIVSA-N 2 2 330.476 2.146 10 30 EEEELP CC#CC[NH2+]CCC[C@@H](NC(=O)Cc1c[nH+]cn1C)c1ccccc1 ZINC001506979131 1115027712 /nfs/dbraw/zinc/02/77/12/1115027712.db2.gz LWOVJJHEEKMHGH-LJQANCHMSA-N 2 2 338.455 2.213 10 30 EEEELP C=CCCC[N@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001567939027 1124195249 /nfs/dbraw/zinc/19/52/49/1124195249.db2.gz MUUZQVLJBXLDLE-SJORKVTESA-N 2 2 330.476 2.335 10 30 EEEELP C=CCCC[N@@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001567939027 1124195251 /nfs/dbraw/zinc/19/52/51/1124195251.db2.gz MUUZQVLJBXLDLE-SJORKVTESA-N 2 2 330.476 2.335 10 30 EEEELP C[C@H](CNC(=O)C[C@@H](C)n1cc[nH+]c1)C[NH2+]CC#Cc1ccccc1 ZINC001568197211 1124349604 /nfs/dbraw/zinc/34/96/04/1124349604.db2.gz PANNRUZQRFGILG-ZWKOTPCHSA-N 2 2 338.455 2.228 10 30 EEEELP Cc1cc[nH+]cc1N1CC[NH+](CCC(=O)Nc2cccc(C#N)c2)CC1 ZINC000535510065 468312037 /nfs/dbraw/zinc/31/20/37/468312037.db2.gz FECXDDJXSWFIHP-UHFFFAOYSA-N 2 2 349.438 2.413 10 30 EEEELP C=CCCO[C@H](C)C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000172753877 464139150 /nfs/dbraw/zinc/13/91/50/464139150.db2.gz GJXJLBZQVQWEAK-QGZVFWFLSA-N 2 2 337.508 2.034 10 30 EEEELP C[C@H](C(=O)NC1(C#N)CCCCC1)[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000374208775 467032269 /nfs/dbraw/zinc/03/22/69/467032269.db2.gz NAUGLPINORGASM-CQSZACIVSA-N 2 2 329.448 2.320 10 30 EEEELP N#CCCCC[C@H]([NH3+])C(=O)NCc1ccc(N2CCCCCC2)[nH+]c1 ZINC000594440299 468589506 /nfs/dbraw/zinc/58/95/06/468589506.db2.gz BQCSWYXZHKOSBD-KRWDZBQOSA-N 2 2 343.475 2.489 10 30 EEEELP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000595302824 468806461 /nfs/dbraw/zinc/80/64/61/468806461.db2.gz LFTFSFWWIRUEAM-KRWDZBQOSA-N 2 2 331.460 2.103 10 30 EEEELP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000595302824 468806466 /nfs/dbraw/zinc/80/64/66/468806466.db2.gz LFTFSFWWIRUEAM-KRWDZBQOSA-N 2 2 331.460 2.103 10 30 EEEELP C=CC[C@@]1(C(=O)NC[C@@H](c2c(F)cccc2F)[NH+](C)C)CCC[NH2+]1 ZINC000662735888 472227126 /nfs/dbraw/zinc/22/71/26/472227126.db2.gz ZKCXOMWYCSKWNJ-YJBOKZPZSA-N 2 2 337.414 2.382 10 30 EEEELP C=CC[C@@]1(C(=O)Nc2cccc(C[NH+]3CCN(C)CC3)c2)CCC[NH2+]1 ZINC000662759490 472239662 /nfs/dbraw/zinc/23/96/62/472239662.db2.gz YEGUJWIUIXXFHZ-FQEVSTJZSA-N 2 2 342.487 2.071 10 30 EEEELP Cc1nnc(-c2cccc(C#N)c2)n1C[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000755795903 577831777 /nfs/dbraw/zinc/83/17/77/577831777.db2.gz XLAHVCCBPMFDKP-QGZVFWFLSA-N 2 2 347.426 2.306 10 30 EEEELP Cc1nnc(-c2cccc(C#N)c2)n1C[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000755795903 577831778 /nfs/dbraw/zinc/83/17/78/577831778.db2.gz XLAHVCCBPMFDKP-QGZVFWFLSA-N 2 2 347.426 2.306 10 30 EEEELP CC[NH+]=C(NCC[NH+]1CCC1)N1C[C@H](C)O[C@@H](c2ccc(F)cc2)C1 ZINC000261737306 681778291 /nfs/dbraw/zinc/77/82/91/681778291.db2.gz KEYBYBSMIDVZMC-MAUKXSAKSA-N 2 2 348.466 2.259 10 30 EEEELP O=C1[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)CCCN1O ZINC000895158070 684146366 /nfs/dbraw/zinc/14/63/66/684146366.db2.gz HVBNBDKSDRYHLX-IAGOWNOFSA-N 2 2 329.444 2.153 10 30 EEEELP O=C1[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)CCCN1O ZINC000895158070 684146369 /nfs/dbraw/zinc/14/63/69/684146369.db2.gz HVBNBDKSDRYHLX-IAGOWNOFSA-N 2 2 329.444 2.153 10 30 EEEELP C=CCC[C@@H](C)[N@H+](C)CCNC(=O)[C@@H]1COCC[NH+]1C1CCCC1 ZINC001690971376 1176401584 /nfs/dbraw/zinc/40/15/84/1176401584.db2.gz XDPBETVWGOMOLE-AEFFLSMTSA-N 2 2 337.508 2.033 10 30 EEEELP C=CCC[C@@H](C)[N@@H+](C)CCNC(=O)[C@@H]1COCC[NH+]1C1CCCC1 ZINC001690971376 1176401590 /nfs/dbraw/zinc/40/15/90/1176401590.db2.gz XDPBETVWGOMOLE-AEFFLSMTSA-N 2 2 337.508 2.033 10 30 EEEELP C=CCC[C@@H](C)[NH+](C)CCNC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC001690971376 1176401598 /nfs/dbraw/zinc/40/15/98/1176401598.db2.gz XDPBETVWGOMOLE-AEFFLSMTSA-N 2 2 337.508 2.033 10 30 EEEELP C=CCC[C@@H](C)[NH+](C)CCNC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC001690971376 1176401604 /nfs/dbraw/zinc/40/16/04/1176401604.db2.gz XDPBETVWGOMOLE-AEFFLSMTSA-N 2 2 337.508 2.033 10 30 EEEELP C=CCCC[NH2+][C@H]1C[C@@H](CNC(=O)c2cc([C@@H]3CCC[N@H+]3C)n[nH]2)C1 ZINC001691444103 1178825274 /nfs/dbraw/zinc/82/52/74/1178825274.db2.gz OULBHCYDYIYVNP-DAYGRLMNSA-N 2 2 345.491 2.241 10 30 EEEELP C=CCCC[NH2+][C@H]1C[C@@H](CNC(=O)c2cc([C@@H]3CCC[N@@H+]3C)n[nH]2)C1 ZINC001691444103 1178825283 /nfs/dbraw/zinc/82/52/83/1178825283.db2.gz OULBHCYDYIYVNP-DAYGRLMNSA-N 2 2 345.491 2.241 10 30 EEEELP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC/C=C/CC ZINC001267532151 1179282876 /nfs/dbraw/zinc/28/28/76/1179282876.db2.gz MFYCJYGAVDAVOW-GPXQEHKYSA-N 2 2 329.488 2.116 10 30 EEEELP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC/C=C/CC ZINC001267532151 1179282883 /nfs/dbraw/zinc/28/28/83/1179282883.db2.gz MFYCJYGAVDAVOW-GPXQEHKYSA-N 2 2 329.488 2.116 10 30 EEEELP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2CC/C=C/CC ZINC001267532151 1179282888 /nfs/dbraw/zinc/28/28/88/1179282888.db2.gz MFYCJYGAVDAVOW-GPXQEHKYSA-N 2 2 329.488 2.116 10 30 EEEELP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2CC/C=C/CC ZINC001267532151 1179282897 /nfs/dbraw/zinc/28/28/97/1179282897.db2.gz MFYCJYGAVDAVOW-GPXQEHKYSA-N 2 2 329.488 2.116 10 30 EEEELP C=CC[NH2+]CC[C@H]1CCCN(C(=O)[C@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC001269759569 1184596455 /nfs/dbraw/zinc/59/64/55/1184596455.db2.gz DPVPEMLCAWLKGT-IEBWSBKVSA-N 2 2 349.519 2.034 10 30 EEEELP C=CC[NH2+]CC[C@H]1CCCN(C(=O)[C@H]2COCC[N@H+]2C2CCCC2)C1 ZINC001269759569 1184596463 /nfs/dbraw/zinc/59/64/63/1184596463.db2.gz DPVPEMLCAWLKGT-IEBWSBKVSA-N 2 2 349.519 2.034 10 30 EEEELP C=C(C)CC[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001270745104 1185361761 /nfs/dbraw/zinc/36/17/61/1185361761.db2.gz UXAREYFMACDWLJ-VQIMIIECSA-N 2 2 330.476 2.240 10 30 EEEELP CC(C)N(CC[N@H+](C)Cc1ccccc1C#N)C(=O)[C@H]1CCC[NH+]1C ZINC001411200685 1198900851 /nfs/dbraw/zinc/90/08/51/1198900851.db2.gz ZUCCEDINKWRICH-LJQANCHMSA-N 2 2 342.487 2.321 10 30 EEEELP CC(C)N(CC[N@@H+](C)Cc1ccccc1C#N)C(=O)[C@H]1CCC[NH+]1C ZINC001411200685 1198900852 /nfs/dbraw/zinc/90/08/52/1198900852.db2.gz ZUCCEDINKWRICH-LJQANCHMSA-N 2 2 342.487 2.321 10 30 EEEELP CC(C)N(CC[NH+](C)Cc1ccccc1C#N)C(=O)[C@H]1CCC[N@@H+]1C ZINC001411200685 1198900854 /nfs/dbraw/zinc/90/08/54/1198900854.db2.gz ZUCCEDINKWRICH-LJQANCHMSA-N 2 2 342.487 2.321 10 30 EEEELP CC(C)N(CC[NH+](C)Cc1ccccc1C#N)C(=O)[C@H]1CCC[N@H+]1C ZINC001411200685 1198900855 /nfs/dbraw/zinc/90/08/55/1198900855.db2.gz ZUCCEDINKWRICH-LJQANCHMSA-N 2 2 342.487 2.321 10 30 EEEELP C=CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)CCc1c[nH+]cn1C ZINC001274856011 1205188980 /nfs/dbraw/zinc/18/89/80/1205188980.db2.gz HZFFFSPWGJTNAI-LJQANCHMSA-N 2 2 338.455 2.254 10 30 EEEELP C=CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)CCc1c[nH+]cn1C ZINC001274856011 1205188982 /nfs/dbraw/zinc/18/89/82/1205188982.db2.gz HZFFFSPWGJTNAI-LJQANCHMSA-N 2 2 338.455 2.254 10 30 EEEELP COc1cc(C#N)ccc1OCC[N@@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000931312409 1206624182 /nfs/dbraw/zinc/62/41/82/1206624182.db2.gz XFBHAAYDCZNNBF-KDURUIRLSA-N 2 2 329.444 2.219 10 30 EEEELP COc1cc(C#N)ccc1OCC[N@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000931312409 1206624183 /nfs/dbraw/zinc/62/41/83/1206624183.db2.gz XFBHAAYDCZNNBF-KDURUIRLSA-N 2 2 329.444 2.219 10 30 EEEELP COc1cc(C#N)ccc1OCC[NH+]1C[C@@]2(C)C[N@H+](C)C[C@@]2(C)C1 ZINC000931312409 1206624184 /nfs/dbraw/zinc/62/41/84/1206624184.db2.gz XFBHAAYDCZNNBF-KDURUIRLSA-N 2 2 329.444 2.219 10 30 EEEELP COc1cc(C#N)ccc1OCC[NH+]1C[C@@]2(C)C[N@@H+](C)C[C@@]2(C)C1 ZINC000931312409 1206624186 /nfs/dbraw/zinc/62/41/86/1206624186.db2.gz XFBHAAYDCZNNBF-KDURUIRLSA-N 2 2 329.444 2.219 10 30 EEEELP C#CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@@H](CC)[NH+](CC)CC ZINC001273825974 1286522323 /nfs/dbraw/zinc/52/23/23/1286522323.db2.gz WADJRJUYWGOFNO-VQTJNVASSA-N 2 2 341.499 2.283 10 30 EEEELP C#CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@@H](CC)[NH+](CC)CC ZINC001273825974 1286522330 /nfs/dbraw/zinc/52/23/30/1286522330.db2.gz WADJRJUYWGOFNO-VQTJNVASSA-N 2 2 341.499 2.283 10 30 EEEELP C=CCCC[N@H+]1CCCC2(CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)C1 ZINC001276878876 1300066888 /nfs/dbraw/zinc/06/68/88/1300066888.db2.gz RWFCXGXFXBHNKC-IAGOWNOFSA-N 2 2 342.487 2.414 10 30 EEEELP C=CCCC[N@@H+]1CCCC2(CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)C1 ZINC001276878876 1300066900 /nfs/dbraw/zinc/06/69/00/1300066900.db2.gz RWFCXGXFXBHNKC-IAGOWNOFSA-N 2 2 342.487 2.414 10 30 EEEELP C#CCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)Cc1c[nH+]ccc1OC ZINC001277308364 1302302283 /nfs/dbraw/zinc/30/22/83/1302302283.db2.gz IEXQVBHPPRSDOD-AYHJJNSGSA-N 2 2 341.455 2.158 10 30 EEEELP C=C(C)C[NH2+]C[C@]1(C)CCN(C(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001278498296 1310824736 /nfs/dbraw/zinc/82/47/36/1310824736.db2.gz JXAATAOGQARVQX-IBGZPJMESA-N 2 2 330.476 2.166 10 30 EEEELP C#CCC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001266102410 1323666381 /nfs/dbraw/zinc/66/63/81/1323666381.db2.gz JRYQINJSBRTMEA-QZTJIDSGSA-N 2 2 330.476 2.416 10 30 EEEELP C#CCC[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001266102410 1323666382 /nfs/dbraw/zinc/66/63/82/1323666382.db2.gz JRYQINJSBRTMEA-QZTJIDSGSA-N 2 2 330.476 2.416 10 30 EEEELP C=CCCC[N@H+]1CC=C(CNC(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC001279590430 1323951394 /nfs/dbraw/zinc/95/13/94/1323951394.db2.gz BATVFNXJPQIWDR-KRWDZBQOSA-N 2 2 328.460 2.160 10 30 EEEELP C=CCCC[N@@H+]1CC=C(CNC(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC001279590430 1323951396 /nfs/dbraw/zinc/95/13/96/1323951396.db2.gz BATVFNXJPQIWDR-KRWDZBQOSA-N 2 2 328.460 2.160 10 30 EEEELP C=C(C)C[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC001283529668 1326115758 /nfs/dbraw/zinc/11/57/58/1326115758.db2.gz HRHHAHDVJBZHHT-RTBURBONSA-N 2 2 349.519 2.033 10 30 EEEELP C=C(C)C[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC001283529668 1326115761 /nfs/dbraw/zinc/11/57/61/1326115761.db2.gz HRHHAHDVJBZHHT-RTBURBONSA-N 2 2 349.519 2.033 10 30 EEEELP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CCCCCC=C)[C@@H]1C ZINC001316787652 1331894207 /nfs/dbraw/zinc/89/42/07/1331894207.db2.gz SOMFRSYMMDTSAB-QYZOEREBSA-N 2 2 331.504 2.409 10 30 EEEELP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CCCCCC=C)[C@@H]1C ZINC001316787652 1331894216 /nfs/dbraw/zinc/89/42/16/1331894216.db2.gz SOMFRSYMMDTSAB-QYZOEREBSA-N 2 2 331.504 2.409 10 30 EEEELP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCCCCC=C)[C@@H]1C ZINC001316787652 1331894219 /nfs/dbraw/zinc/89/42/19/1331894219.db2.gz SOMFRSYMMDTSAB-QYZOEREBSA-N 2 2 331.504 2.409 10 30 EEEELP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCCCCC=C)[C@@H]1C ZINC001316787652 1331894226 /nfs/dbraw/zinc/89/42/26/1331894226.db2.gz SOMFRSYMMDTSAB-QYZOEREBSA-N 2 2 331.504 2.409 10 30 EEEELP C=CCC[C@@H](C)[N@H+](C)C[C@H]1CCCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001317038847 1332054957 /nfs/dbraw/zinc/05/49/57/1332054957.db2.gz HEIMVSOZILZNML-IAGOWNOFSA-N 2 2 332.492 2.488 10 30 EEEELP C=CCC[C@@H](C)[N@@H+](C)C[C@H]1CCCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001317038847 1332054959 /nfs/dbraw/zinc/05/49/59/1332054959.db2.gz HEIMVSOZILZNML-IAGOWNOFSA-N 2 2 332.492 2.488 10 30 EEEELP C[NH+](C)CCCC(=O)N[C@H]1CCC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC001317981399 1332456879 /nfs/dbraw/zinc/45/68/79/1332456879.db2.gz KONQKUMKRBYYFL-IBGZPJMESA-N 2 2 345.462 2.100 10 30 EEEELP C[NH+](C)CCCC(=O)N[C@H]1CCC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC001317981399 1332456884 /nfs/dbraw/zinc/45/68/84/1332456884.db2.gz KONQKUMKRBYYFL-IBGZPJMESA-N 2 2 345.462 2.100 10 30 EEEELP C#CCC[NH2+][C@H]1CCN(C(=O)Cc2cn3cccc(C)c3[nH+]2)[C@@H](C)C1 ZINC001324086740 1333605937 /nfs/dbraw/zinc/60/59/37/1333605937.db2.gz HCCARVWONRNTDE-IRXDYDNUSA-N 2 2 338.455 2.178 10 30 EEEELP C=CCCC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)Cc3[nH]c[nH+]c3C)C[C@@H]21 ZINC001332146097 1335743218 /nfs/dbraw/zinc/74/32/18/1335743218.db2.gz LKMKRNYJVLEJQM-IXDOHACOSA-N 2 2 330.476 2.444 10 30 EEEELP C=CCCC[NH2+]C[C@@H]1CCCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001566896427 1342648375 /nfs/dbraw/zinc/64/83/75/1342648375.db2.gz CYVLYBLLNMCPCE-IRXDYDNUSA-N 2 2 330.476 2.240 10 30 EEEELP COCC#CC[NH2+]C[C@H]1CC[C@H](NC(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001676945132 1357246755 /nfs/dbraw/zinc/24/67/55/1357246755.db2.gz IAHQSZZQODWXGM-ROUUACIJSA-N 2 2 343.471 2.145 10 30 EEEELP C#CC[N@H+](C)CCC[NH2+]Cc1sc(N2CCCC2)nc1Cl ZINC001652564244 1354095808 /nfs/dbraw/zinc/09/58/08/1354095808.db2.gz TZTFZCVWDDLAKU-UHFFFAOYSA-N 2 2 326.897 2.441 10 30 EEEELP C#CC[N@@H+](C)CCC[NH2+]Cc1sc(N2CCCC2)nc1Cl ZINC001652564244 1354095812 /nfs/dbraw/zinc/09/58/12/1354095812.db2.gz TZTFZCVWDDLAKU-UHFFFAOYSA-N 2 2 326.897 2.441 10 30 EEEELP C=C(C)CC[NH2+]CC1(NC(=O)[C@H]2CCn3c[nH+]cc3C2)CCCC1 ZINC001665928218 1355411220 /nfs/dbraw/zinc/41/12/20/1355411220.db2.gz GHMVDOYJYJZJPA-INIZCTEOSA-N 2 2 330.476 2.430 10 30 EEEELP CC#CC[NH2+][C@@H](C)c1ccc(CNC(=O)CCc2c[nH+]cn2C)cc1 ZINC001672948111 1356621260 /nfs/dbraw/zinc/62/12/60/1356621260.db2.gz SKLTXPIBDIFXCH-INIZCTEOSA-N 2 2 338.455 2.343 10 30 EEEELP O=C(CCC[NH+]1CCCC1)NC[C@H]1CC[N@@H+]1CC#Cc1ccccc1 ZINC001699643604 1405428721 /nfs/dbraw/zinc/42/87/21/1405428721.db2.gz ZQSOLPRCRQGELC-HXUWFJFHSA-N 2 2 339.483 2.105 10 30 EEEELP O=C(CCC[NH+]1CCCC1)NC[C@H]1CC[N@H+]1CC#Cc1ccccc1 ZINC001699643604 1405428727 /nfs/dbraw/zinc/42/87/27/1405428727.db2.gz ZQSOLPRCRQGELC-HXUWFJFHSA-N 2 2 339.483 2.105 10 30 EEEELP C#CCC[NH+]1CCC(CCNC(=O)c2ccn3c(C)c[nH+]c3c2)CC1 ZINC001495518119 1101231397 /nfs/dbraw/zinc/23/13/97/1101231397.db2.gz WWJJEYMNEZNCTQ-UHFFFAOYSA-N 2 2 338.455 2.498 10 30 EEEELP C=CCCC[NH2+]C1(CNC(=O)[C@H]2CCn3cc[nH+]c3C2)CCCC1 ZINC001495925126 1101771195 /nfs/dbraw/zinc/77/11/95/1101771195.db2.gz YATXZFMOFQZNES-INIZCTEOSA-N 2 2 330.476 2.430 10 30 EEEELP C=C(C)CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001494140318 1103589193 /nfs/dbraw/zinc/58/91/93/1103589193.db2.gz HJDDJWCMCNUBDH-IRXDYDNUSA-N 2 2 330.476 2.192 10 30 EEEELP C=C(C)CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001494140318 1103589204 /nfs/dbraw/zinc/58/92/04/1103589204.db2.gz HJDDJWCMCNUBDH-IRXDYDNUSA-N 2 2 330.476 2.192 10 30 EEEELP C=CCC[C@H](C)[NH+]1CC(N(C)C(=O)c2cc([C@H]3CCC[N@@H+]3C)[nH]n2)C1 ZINC001499672077 1112439190 /nfs/dbraw/zinc/43/91/90/1112439190.db2.gz HHHOKRLNTAWKJW-KBXCAEBGSA-N 2 2 345.491 2.287 10 30 EEEELP C=CCC[C@H](C)[NH+]1CC(N(C)C(=O)c2cc([C@H]3CCC[N@H+]3C)[nH]n2)C1 ZINC001499672077 1112439194 /nfs/dbraw/zinc/43/91/94/1112439194.db2.gz HHHOKRLNTAWKJW-KBXCAEBGSA-N 2 2 345.491 2.287 10 30 EEEELP C=C(Br)C[NH+]1CC[C@@H](NC(=O)C[N@@H+](C)C(C)C)C[C@@H]1C ZINC001503023121 1113872239 /nfs/dbraw/zinc/87/22/39/1113872239.db2.gz KHULZGBDAJTEAC-UONOGXRCSA-N 2 2 346.313 2.204 10 30 EEEELP C=C(Br)C[NH+]1CC[C@@H](NC(=O)C[N@H+](C)C(C)C)C[C@@H]1C ZINC001503023121 1113872242 /nfs/dbraw/zinc/87/22/42/1113872242.db2.gz KHULZGBDAJTEAC-UONOGXRCSA-N 2 2 346.313 2.204 10 30 EEEELP C=C(Br)C[N@H+]1CC[C@@H](NC(=O)C[NH+](C)C(C)C)C[C@@H]1C ZINC001503023121 1113872245 /nfs/dbraw/zinc/87/22/45/1113872245.db2.gz KHULZGBDAJTEAC-UONOGXRCSA-N 2 2 346.313 2.204 10 30 EEEELP C=C(Br)C[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)C(C)C)C[C@@H]1C ZINC001503023121 1113872247 /nfs/dbraw/zinc/87/22/47/1113872247.db2.gz KHULZGBDAJTEAC-UONOGXRCSA-N 2 2 346.313 2.204 10 30 EEEELP C[C@@H]([NH2+]CC#Cc1ccccc1Cl)[C@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001505699057 1114138171 /nfs/dbraw/zinc/13/81/71/1114138171.db2.gz UVBJQRPPIBJCQS-KGLIPLIRSA-N 2 2 344.846 2.140 10 30 EEEELP C=C(Cl)C[NH+]1C[C@H](NC(=O)CC[C@@H]2CCC[N@H+]2C)C(C)(C)C1 ZINC001506742652 1114853704 /nfs/dbraw/zinc/85/37/04/1114853704.db2.gz REBPPUMERKKUTA-GJZGRUSLSA-N 2 2 327.900 2.440 10 30 EEEELP C=C(Cl)C[NH+]1C[C@H](NC(=O)CC[C@@H]2CCC[N@@H+]2C)C(C)(C)C1 ZINC001506742652 1114853706 /nfs/dbraw/zinc/85/37/06/1114853706.db2.gz REBPPUMERKKUTA-GJZGRUSLSA-N 2 2 327.900 2.440 10 30 EEEELP C=C(Cl)C[N@H+]1C[C@H](NC(=O)CC[C@@H]2CCC[NH+]2C)C(C)(C)C1 ZINC001506742652 1114853709 /nfs/dbraw/zinc/85/37/09/1114853709.db2.gz REBPPUMERKKUTA-GJZGRUSLSA-N 2 2 327.900 2.440 10 30 EEEELP C=C(Cl)C[N@@H+]1C[C@H](NC(=O)CC[C@@H]2CCC[NH+]2C)C(C)(C)C1 ZINC001506742652 1114853713 /nfs/dbraw/zinc/85/37/13/1114853713.db2.gz REBPPUMERKKUTA-GJZGRUSLSA-N 2 2 327.900 2.440 10 30 EEEELP C=C(Cl)C[NH+]1C[C@@H](NC(=O)CC[C@@H]2CCC[N@H+]2C)C(C)(C)C1 ZINC001506742661 1114854201 /nfs/dbraw/zinc/85/42/01/1114854201.db2.gz REBPPUMERKKUTA-LSDHHAIUSA-N 2 2 327.900 2.440 10 30 EEEELP C=C(Cl)C[NH+]1C[C@@H](NC(=O)CC[C@@H]2CCC[N@@H+]2C)C(C)(C)C1 ZINC001506742661 1114854202 /nfs/dbraw/zinc/85/42/02/1114854202.db2.gz REBPPUMERKKUTA-LSDHHAIUSA-N 2 2 327.900 2.440 10 30 EEEELP C=C(Cl)C[N@H+]1C[C@@H](NC(=O)CC[C@@H]2CCC[NH+]2C)C(C)(C)C1 ZINC001506742661 1114854204 /nfs/dbraw/zinc/85/42/04/1114854204.db2.gz REBPPUMERKKUTA-LSDHHAIUSA-N 2 2 327.900 2.440 10 30 EEEELP C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)CC[C@@H]2CCC[NH+]2C)C(C)(C)C1 ZINC001506742661 1114854205 /nfs/dbraw/zinc/85/42/05/1114854205.db2.gz REBPPUMERKKUTA-LSDHHAIUSA-N 2 2 327.900 2.440 10 30 EEEELP C[C@H](CNC(=O)C[C@H](C)n1cc[nH+]c1)C[NH2+]CC#Cc1ccccc1 ZINC001568197210 1124350165 /nfs/dbraw/zinc/35/01/65/1124350165.db2.gz PANNRUZQRFGILG-ROUUACIJSA-N 2 2 338.455 2.228 10 30 EEEELP C[N@@H+]1CC[C@@]2(CC[NH+]([C@@H]3CCCN(c4ccc(C#N)cc4)C3=O)C2)C1 ZINC000366530807 277160919 /nfs/dbraw/zinc/16/09/19/277160919.db2.gz QEAMYMWGMLGXAF-UYAOXDASSA-N 2 2 338.455 2.081 10 30 EEEELP C[N@H+]1CC[C@@]2(CC[NH+]([C@@H]3CCCN(c4ccc(C#N)cc4)C3=O)C2)C1 ZINC000366530807 277160920 /nfs/dbraw/zinc/16/09/20/277160920.db2.gz QEAMYMWGMLGXAF-UYAOXDASSA-N 2 2 338.455 2.081 10 30 EEEELP C[NH+]1CC[C@@]2(CC[N@@H+]([C@@H]3CCCN(c4ccc(C#N)cc4)C3=O)C2)C1 ZINC000366530807 277160921 /nfs/dbraw/zinc/16/09/21/277160921.db2.gz QEAMYMWGMLGXAF-UYAOXDASSA-N 2 2 338.455 2.081 10 30 EEEELP C[NH+]1CC[C@@]2(CC[N@H+]([C@@H]3CCCN(c4ccc(C#N)cc4)C3=O)C2)C1 ZINC000366530807 277160922 /nfs/dbraw/zinc/16/09/22/277160922.db2.gz QEAMYMWGMLGXAF-UYAOXDASSA-N 2 2 338.455 2.081 10 30 EEEELP C[NH+]1CCC(NC([O-])=[NH+][C@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)CC1 ZINC000329297134 465291057 /nfs/dbraw/zinc/29/10/57/465291057.db2.gz TUVPUKPXDXOLBS-AWEZNQCLSA-N 2 2 333.480 2.093 10 30 EEEELP CC[N@@H+]1CC[C@H](C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000181527077 464502392 /nfs/dbraw/zinc/50/23/92/464502392.db2.gz GDIUJYMXQXAVSA-LJQANCHMSA-N 3 2 326.488 2.454 10 30 EEEELP CC[N@H+]1CC[C@H](C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000181527077 464502396 /nfs/dbraw/zinc/50/23/96/464502396.db2.gz GDIUJYMXQXAVSA-LJQANCHMSA-N 3 2 326.488 2.454 10 30 EEEELP N#Cc1ccc(O[C@H]2CC[N@H+](Cc3ccnn3-c3cc[nH+]cc3)C2)nc1 ZINC000597130462 468454635 /nfs/dbraw/zinc/45/46/35/468454635.db2.gz RTGROQCSVXLFPL-SFHVURJKSA-N 2 2 346.394 2.187 10 30 EEEELP N#Cc1ccc(O[C@H]2CC[N@@H+](Cc3ccnn3-c3cc[nH+]cc3)C2)nc1 ZINC000597130462 468454641 /nfs/dbraw/zinc/45/46/41/468454641.db2.gz RTGROQCSVXLFPL-SFHVURJKSA-N 2 2 346.394 2.187 10 30 EEEELP Cc1nc(N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)ccc1C#N ZINC000488096285 468071332 /nfs/dbraw/zinc/07/13/32/468071332.db2.gz LLEVFWBZUGGMSW-JWTNVVGKSA-N 2 2 325.460 2.009 10 30 EEEELP Cc1nc(N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)ccc1C#N ZINC000488096285 468071335 /nfs/dbraw/zinc/07/13/35/468071335.db2.gz LLEVFWBZUGGMSW-JWTNVVGKSA-N 2 2 325.460 2.009 10 30 EEEELP Cc1ccc(C[NH+]2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)cc1C#N ZINC000599285920 469192071 /nfs/dbraw/zinc/19/20/71/469192071.db2.gz AJLLETPUNVMYFN-FQEVSTJZSA-N 2 2 326.488 2.469 10 30 EEEELP Cc1ccc(C[NH+]2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)cc1C#N ZINC000599285920 469192073 /nfs/dbraw/zinc/19/20/73/469192073.db2.gz AJLLETPUNVMYFN-FQEVSTJZSA-N 2 2 326.488 2.469 10 30 EEEELP C=C(C)C[N@@H+]1CCC[C@H]1CCCNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001267168301 1178384947 /nfs/dbraw/zinc/38/49/47/1178384947.db2.gz ACAYWQMETJFZDZ-IAGOWNOFSA-N 2 2 330.476 2.382 10 30 EEEELP C=C(C)C[N@H+]1CCC[C@H]1CCCNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001267168301 1178384953 /nfs/dbraw/zinc/38/49/53/1178384953.db2.gz ACAYWQMETJFZDZ-IAGOWNOFSA-N 2 2 330.476 2.382 10 30 EEEELP C=CCC[NH2+][C@@H](C)C1CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC001267488757 1179157282 /nfs/dbraw/zinc/15/72/82/1179157282.db2.gz NNXBDKAHYXNWCQ-DOTOQJQBSA-N 2 2 330.476 2.238 10 30 EEEELP C=C(C)C[N@H+]1CC[C@@H](N(CC)C(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001481768569 1182654383 /nfs/dbraw/zinc/65/43/83/1182654383.db2.gz KHYIOAAYENJDNI-QGZVFWFLSA-N 2 2 330.476 2.261 10 30 EEEELP C=C(C)C[N@@H+]1CC[C@@H](N(CC)C(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001481768569 1182654389 /nfs/dbraw/zinc/65/43/89/1182654389.db2.gz KHYIOAAYENJDNI-QGZVFWFLSA-N 2 2 330.476 2.261 10 30 EEEELP C=CCCC[NH+]1CCOC[C@H]1CNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001272893302 1193593239 /nfs/dbraw/zinc/59/32/39/1193593239.db2.gz KNPPETVKXBVNOX-QZTJIDSGSA-N 2 2 337.508 2.033 10 30 EEEELP C=CCCC[NH+]1CCOC[C@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001272893302 1193593240 /nfs/dbraw/zinc/59/32/40/1193593240.db2.gz KNPPETVKXBVNOX-QZTJIDSGSA-N 2 2 337.508 2.033 10 30 EEEELP C=CCCC[N@H+]1CCOC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001272893302 1193593242 /nfs/dbraw/zinc/59/32/42/1193593242.db2.gz KNPPETVKXBVNOX-QZTJIDSGSA-N 2 2 337.508 2.033 10 30 EEEELP C=CCCC[N@@H+]1CCOC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001272893302 1193593244 /nfs/dbraw/zinc/59/32/44/1193593244.db2.gz KNPPETVKXBVNOX-QZTJIDSGSA-N 2 2 337.508 2.033 10 30 EEEELP C=CCCCCC[NH+]1CC(O)(CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001484280353 1191293887 /nfs/dbraw/zinc/29/38/87/1191293887.db2.gz UZWWLOGRZUXFFY-UHFFFAOYSA-N 2 2 342.443 2.086 10 30 EEEELP C=C(C)CC[NH+]1CCC(CO)(NC(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001485019046 1191617942 /nfs/dbraw/zinc/61/79/42/1191617942.db2.gz CLRPGXKNKPCNEU-UHFFFAOYSA-N 2 2 342.443 2.086 10 30 EEEELP C[C@H](NC(=O)Cn1cc[nH+]c1)[C@H](C)[NH2+]CC#Cc1ccc(Cl)cc1 ZINC001485235434 1191701288 /nfs/dbraw/zinc/70/12/88/1191701288.db2.gz XDIXDWUWPGDDMJ-GJZGRUSLSA-N 2 2 344.846 2.071 10 30 EEEELP C[C@@H](C#N)Oc1ccc(C[NH+]2CCC([N@@H+]3CC[C@H](O)C3)CC2)cc1 ZINC000827701029 1248654347 /nfs/dbraw/zinc/65/43/47/1248654347.db2.gz ZMTLPDPXKMCWPD-YJBOKZPZSA-N 2 2 329.444 2.008 10 30 EEEELP C[C@@H](C#N)Oc1ccc(C[NH+]2CCC([N@H+]3CC[C@H](O)C3)CC2)cc1 ZINC000827701029 1248654363 /nfs/dbraw/zinc/65/43/63/1248654363.db2.gz ZMTLPDPXKMCWPD-YJBOKZPZSA-N 2 2 329.444 2.008 10 30 EEEELP C=C(C)CC[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001491253516 1258848067 /nfs/dbraw/zinc/84/80/67/1258848067.db2.gz OBEBQMNXOOXJEG-AEFFLSMTSA-N 2 2 330.476 2.382 10 30 EEEELP C=C(Cl)C[N@H+](CC)CCCNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001265129820 1322937019 /nfs/dbraw/zinc/93/70/19/1322937019.db2.gz XSRFZFMHQOGDGK-OAHLLOKOSA-N 2 2 338.883 2.335 10 30 EEEELP C=C(Cl)C[N@@H+](CC)CCCNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001265129820 1322937021 /nfs/dbraw/zinc/93/70/21/1322937021.db2.gz XSRFZFMHQOGDGK-OAHLLOKOSA-N 2 2 338.883 2.335 10 30 EEEELP C[C@@H](CCC[NH2+]CC#Cc1ccccc1)NC(=O)CCc1c[nH]c[nH+]1 ZINC001283187200 1325948825 /nfs/dbraw/zinc/94/88/25/1325948825.db2.gz SLHMFYXDWXRJFU-KRWDZBQOSA-N 2 2 338.455 2.269 10 30 EEEELP C[C@@H](CCC[NH2+]CC#Cc1ccccc1)NC(=O)CCc1c[nH+]c[nH]1 ZINC001283187200 1325948828 /nfs/dbraw/zinc/94/88/28/1325948828.db2.gz SLHMFYXDWXRJFU-KRWDZBQOSA-N 2 2 338.455 2.269 10 30 EEEELP C#CC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCCC[NH+]2Cc2ccccc2)C1 ZINC001303559221 1331359293 /nfs/dbraw/zinc/35/92/93/1331359293.db2.gz WZKPVPNNUMGGPP-WOJBJXKFSA-N 2 2 339.483 2.255 10 30 EEEELP C#CC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCCC[NH+]2Cc2ccccc2)C1 ZINC001303559221 1331359298 /nfs/dbraw/zinc/35/92/98/1331359298.db2.gz WZKPVPNNUMGGPP-WOJBJXKFSA-N 2 2 339.483 2.255 10 30 EEEELP C#CC[NH+]1CCC[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2Cc2ccccc2)C1 ZINC001303559221 1331359303 /nfs/dbraw/zinc/35/93/03/1331359303.db2.gz WZKPVPNNUMGGPP-WOJBJXKFSA-N 2 2 339.483 2.255 10 30 EEEELP C#CC[NH+]1CCC[C@@H](NC(=O)[C@H]2CCCC[N@H+]2Cc2ccccc2)C1 ZINC001303559221 1331359308 /nfs/dbraw/zinc/35/93/08/1331359308.db2.gz WZKPVPNNUMGGPP-WOJBJXKFSA-N 2 2 339.483 2.255 10 30 EEEELP C=C(C)CC[NH2+]C1(CNC(=O)[C@H]2CCn3c[nH+]cc3C2)CCCC1 ZINC001319362963 1332690675 /nfs/dbraw/zinc/69/06/75/1332690675.db2.gz MTYVPUXJGHQLQP-INIZCTEOSA-N 2 2 330.476 2.430 10 30 EEEELP C=CCO[C@@H]1CC[N@H+](CCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC001322059827 1333203140 /nfs/dbraw/zinc/20/31/40/1333203140.db2.gz LQBCLMPZFBYYSZ-HXUWFJFHSA-N 2 2 329.488 2.476 10 30 EEEELP C=CCO[C@@H]1CC[N@@H+](CCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC001322059827 1333203146 /nfs/dbraw/zinc/20/31/46/1333203146.db2.gz LQBCLMPZFBYYSZ-HXUWFJFHSA-N 2 2 329.488 2.476 10 30 EEEELP C#CCC[NH2+]C[C@H]1CC[C@H](CNC(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC001325655645 1333933955 /nfs/dbraw/zinc/93/39/55/1333933955.db2.gz HLXYHULMORHOCN-IYARVYRRSA-N 2 2 344.503 2.462 10 30 EEEELP C=C(C)C[NH2+][C@H](CCN(C)C(=O)[C@H]1CCc2c[nH+]cn2C1)C(C)C ZINC001329742656 1334706750 /nfs/dbraw/zinc/70/67/50/1334706750.db2.gz OYRUXHQCALZDLU-FUHWJXTLSA-N 2 2 332.492 2.484 10 30 EEEELP C=C(C)C[NH2+][C@@H](CNC(=O)c1cc(C[NH+](C)C)on1)c1ccccc1 ZINC001567660877 1342807446 /nfs/dbraw/zinc/80/74/46/1342807446.db2.gz LQYMKHJEMWYISR-SFHVURJKSA-N 2 2 342.443 2.373 10 30 EEEELP C=CCCC[NH+]1CCC(C)(NC(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC001569573370 1342898798 /nfs/dbraw/zinc/89/87/98/1342898798.db2.gz PPGHNHMNILUVOL-MRXNPFEDSA-N 2 2 330.476 2.382 10 30 EEEELP C#CC1([NH2+]Cc2ccc(OCC[NH+]3CCOCC3)cc2)CCCC1 ZINC001657876703 1354348811 /nfs/dbraw/zinc/34/88/11/1354348811.db2.gz KAHDOWQSTDEQKW-UHFFFAOYSA-N 2 2 328.456 2.433 10 30 EEEELP CC#CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001662844185 1354861811 /nfs/dbraw/zinc/86/18/11/1354861811.db2.gz DUIRIPRJILTXGL-MSOLQXFVSA-N 2 2 330.476 2.416 10 30 EEEELP CC#CC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001662844185 1354861814 /nfs/dbraw/zinc/86/18/14/1354861814.db2.gz DUIRIPRJILTXGL-MSOLQXFVSA-N 2 2 330.476 2.416 10 30 EEEELP C=C(C)C[NH2+][C@@H](C)[C@H]1CN(C(=O)c2c(C)cc(C)[nH+]c2C)CCO1 ZINC001675604751 1357013393 /nfs/dbraw/zinc/01/33/93/1357013393.db2.gz FHENVCCROCPUFU-DOTOQJQBSA-N 2 2 331.460 2.402 10 30 EEEELP C#CCC[N@@H+]1CC[C@@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C(C)(C)C1 ZINC000940765727 779244201 /nfs/dbraw/zinc/24/42/01/779244201.db2.gz VZHGFGYVYJRFTD-QGZVFWFLSA-N 2 2 342.487 2.002 10 30 EEEELP C#CCC[N@H+]1CC[C@@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C(C)(C)C1 ZINC000940765727 779244208 /nfs/dbraw/zinc/24/42/08/779244208.db2.gz VZHGFGYVYJRFTD-QGZVFWFLSA-N 2 2 342.487 2.002 10 30 EEEELP CC[C@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2C#N)C1)[NH+](CC)CC ZINC001441111398 1094425765 /nfs/dbraw/zinc/42/57/65/1094425765.db2.gz ZGSMQDNTYVLWJA-RBUKOAKNSA-N 2 2 342.487 2.369 10 30 EEEELP CC[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2C#N)C1)[NH+](CC)CC ZINC001441111398 1094425770 /nfs/dbraw/zinc/42/57/70/1094425770.db2.gz ZGSMQDNTYVLWJA-RBUKOAKNSA-N 2 2 342.487 2.369 10 30 EEEELP COCC#CC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)c1c(C)cc(C)[nH+]c1C ZINC001496894172 1101679756 /nfs/dbraw/zinc/67/97/56/1101679756.db2.gz HVEKSIJXKDFTEX-MSOLQXFVSA-N 2 2 343.471 2.145 10 30 EEEELP C=C(C)CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001494140313 1103589551 /nfs/dbraw/zinc/58/95/51/1103589551.db2.gz HJDDJWCMCNUBDH-DLBZAZTESA-N 2 2 330.476 2.192 10 30 EEEELP C=C(C)CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001494140313 1103589556 /nfs/dbraw/zinc/58/95/56/1103589556.db2.gz HJDDJWCMCNUBDH-DLBZAZTESA-N 2 2 330.476 2.192 10 30 EEEELP C=C(Cl)C[N@H+](C)C[C@@H]1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001494145200 1103595998 /nfs/dbraw/zinc/59/59/98/1103595998.db2.gz HYXSZHAXKFTNOB-HNNXBMFYSA-N 2 2 338.883 2.459 10 30 EEEELP C=C(Cl)C[N@@H+](C)C[C@@H]1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001494145200 1103596005 /nfs/dbraw/zinc/59/60/05/1103596005.db2.gz HYXSZHAXKFTNOB-HNNXBMFYSA-N 2 2 338.883 2.459 10 30 EEEELP CC#CC[NH2+][C@H](C)[C@@H]1CCN(C(=O)Cc2cn3cccc(C)c3[nH+]2)C1 ZINC001501075977 1113190198 /nfs/dbraw/zinc/19/01/98/1113190198.db2.gz KPLJBGJOXBFYIW-IAGOWNOFSA-N 2 2 338.455 2.035 10 30 EEEELP C=C(C)CC[N@H+]1CCOC[C@H]1CNC(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001501780804 1113474575 /nfs/dbraw/zinc/47/45/75/1113474575.db2.gz YKGKHEKORAMTFX-IAGOWNOFSA-N 2 2 348.491 2.180 10 30 EEEELP C=C(C)CC[N@@H+]1CCOC[C@H]1CNC(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001501780804 1113474576 /nfs/dbraw/zinc/47/45/76/1113474576.db2.gz YKGKHEKORAMTFX-IAGOWNOFSA-N 2 2 348.491 2.180 10 30 EEEELP C=CCCC[NH+]1CC2(C1)C[C@H](NC(=O)c1cc3c[nH+]ccc3[nH]1)CO2 ZINC001502460614 1113692461 /nfs/dbraw/zinc/69/24/61/1113692461.db2.gz ZXLHJCDCIINBTD-HNNXBMFYSA-N 2 2 340.427 2.102 10 30 EEEELP C=CCCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)CCn3cc[nH+]c3)C[C@H]2C1 ZINC001506855367 1114919605 /nfs/dbraw/zinc/91/96/05/1114919605.db2.gz NHQCANUXSUQUQN-BZSNNMDCSA-N 2 2 330.476 2.456 10 30 EEEELP C=CCCC[N@H+]1C[C@@H]2CC[C@H](NC(=O)CCn3cc[nH+]c3)C[C@H]2C1 ZINC001506855367 1114919609 /nfs/dbraw/zinc/91/96/09/1114919609.db2.gz NHQCANUXSUQUQN-BZSNNMDCSA-N 2 2 330.476 2.456 10 30 EEEELP CN(CCC[NH2+]CC#Cc1ccccc1Cl)C(=O)Cc1[nH]cc[nH+]1 ZINC001569251653 1125195477 /nfs/dbraw/zinc/19/54/77/1125195477.db2.gz HEIJIRGYEAILOO-UHFFFAOYSA-N 2 2 344.846 2.095 10 30 EEEELP C=C(C)C[NH+]1CCC(NC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)CC1 ZINC000264398971 201210500 /nfs/dbraw/zinc/21/05/00/201210500.db2.gz OOYZAOFLGATWSE-UHFFFAOYSA-N 2 2 331.464 2.339 10 30 EEEELP N#Cc1ccc2ncc(C[NH2+]C3CC[NH+](Cc4ccccn4)CC3)n2c1 ZINC000123344631 463334244 /nfs/dbraw/zinc/33/42/44/463334244.db2.gz JFGXGNUZSNDNQM-UHFFFAOYSA-N 2 2 346.438 2.355 10 30 EEEELP N#CC1(C[C@H](O)C[NH2+]Cc2ccccc2-n2cc[nH+]c2)CCOCC1 ZINC000600731580 468641091 /nfs/dbraw/zinc/64/10/91/468641091.db2.gz MUFIXRMNRWXDEE-KRWDZBQOSA-N 2 2 340.427 2.033 10 30 EEEELP C=CC[C@]1(C(=O)Nc2cccc(C[NH+]3CCOCC3)c2)CCC[NH2+]1 ZINC000662693592 472210366 /nfs/dbraw/zinc/21/03/66/472210366.db2.gz KAPXUWASCOYAIA-LJQANCHMSA-N 2 2 329.444 2.156 10 30 EEEELP CC[C@@H]([NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1cccc(C#N)c1O ZINC000925042099 682665595 /nfs/dbraw/zinc/66/55/95/682665595.db2.gz RSCJUZYGTXOBOJ-VQIMIIECSA-N 2 2 342.487 2.473 10 30 EEEELP C=CCC[C@H](C)[N@H+](CCNC(=O)[C@@H]1CCc2[nH+]ccn2C1)C1CC1 ZINC001266600217 1176921746 /nfs/dbraw/zinc/92/17/46/1176921746.db2.gz NBEWGWAUVZYQBK-JKSUJKDBSA-N 2 2 330.476 2.381 10 30 EEEELP C=CCC[C@H](C)[N@@H+](CCNC(=O)[C@@H]1CCc2[nH+]ccn2C1)C1CC1 ZINC001266600217 1176921749 /nfs/dbraw/zinc/92/17/49/1176921749.db2.gz NBEWGWAUVZYQBK-JKSUJKDBSA-N 2 2 330.476 2.381 10 30 EEEELP C=C(Cl)C[N@H+]1CCC[C@H]1CCCNC(=O)CCc1[nH+]ccn1C ZINC001267170809 1178397695 /nfs/dbraw/zinc/39/76/95/1178397695.db2.gz ABLVTQQNQYTGSX-OAHLLOKOSA-N 2 2 338.883 2.466 10 30 EEEELP C=C(Cl)C[N@@H+]1CCC[C@H]1CCCNC(=O)CCc1[nH+]ccn1C ZINC001267170809 1178397703 /nfs/dbraw/zinc/39/77/03/1178397703.db2.gz ABLVTQQNQYTGSX-OAHLLOKOSA-N 2 2 338.883 2.466 10 30 EEEELP CC(C)[N@H+](CCCNC(=O)Cc1[nH]cc[nH+]1)Cc1ccc(C#N)cc1 ZINC001267511344 1179223641 /nfs/dbraw/zinc/22/36/41/1179223641.db2.gz KSLLXDIZKMNOMC-UHFFFAOYSA-N 2 2 339.443 2.241 10 30 EEEELP CC(C)[N@@H+](CCCNC(=O)Cc1[nH]cc[nH+]1)Cc1ccc(C#N)cc1 ZINC001267511344 1179223646 /nfs/dbraw/zinc/22/36/46/1179223646.db2.gz KSLLXDIZKMNOMC-UHFFFAOYSA-N 2 2 339.443 2.241 10 30 EEEELP C=CCC[NH2+][C@H](CNC(=O)[C@@H]1CCc2c[nH+]cn2C1)c1ccccc1 ZINC001481366284 1181135171 /nfs/dbraw/zinc/13/51/71/1181135171.db2.gz WNFKXCFNZKRZKN-IEBWSBKVSA-N 2 2 338.455 2.469 10 30 EEEELP C=CCCC[NH+]1CC2(C1)CCN(C(=O)CCc1[nH+]ccn1C)CC2 ZINC001268044184 1181495638 /nfs/dbraw/zinc/49/56/38/1181495638.db2.gz AUJYYHGYOUFLEX-UHFFFAOYSA-N 2 2 330.476 2.243 10 30 EEEELP C=CCC[NH2+]C[C@H]1CC[C@H](NC(=O)Cc2c[nH+]ccc2OC)CC1 ZINC001272742610 1193155689 /nfs/dbraw/zinc/15/56/89/1193155689.db2.gz OLYNLHPLXIIVOY-JCNLHEQBSA-N 2 2 331.460 2.473 10 30 EEEELP C=C(C)CC[NH2+]C1(CNC(=O)[C@@H]2CCc3[nH+]ccn3C2)CCCC1 ZINC001482222892 1184302018 /nfs/dbraw/zinc/30/20/18/1184302018.db2.gz MELAQEMTDUNYIO-MRXNPFEDSA-N 2 2 330.476 2.430 10 30 EEEELP C[NH+](C)[C@@H]1CCC[C@@H](C(=O)N2CCC([N@H+](CC#N)CC3CC3)CC2)C1 ZINC001269632763 1184457744 /nfs/dbraw/zinc/45/77/44/1184457744.db2.gz MKFYNKVUFMCSAR-IEBWSBKVSA-N 2 2 346.519 2.333 10 30 EEEELP C[NH+](C)[C@@H]1CCC[C@@H](C(=O)N2CCC([N@@H+](CC#N)CC3CC3)CC2)C1 ZINC001269632763 1184457747 /nfs/dbraw/zinc/45/77/47/1184457747.db2.gz MKFYNKVUFMCSAR-IEBWSBKVSA-N 2 2 346.519 2.333 10 30 EEEELP C=CC[N@@H+](C)CCN(CC)C(=O)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001626751255 1185367916 /nfs/dbraw/zinc/36/79/16/1185367916.db2.gz ZVUNTZJNHKXFGN-UHFFFAOYSA-N 2 2 326.444 2.381 10 30 EEEELP C=CC[N@H+](C)CCN(CC)C(=O)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC001626751255 1185367925 /nfs/dbraw/zinc/36/79/25/1185367925.db2.gz ZVUNTZJNHKXFGN-UHFFFAOYSA-N 2 2 326.444 2.381 10 30 EEEELP C[C@@H](C[NH2+]Cc1ccc(C#N)cc1)N(C)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001482339007 1185437107 /nfs/dbraw/zinc/43/71/07/1185437107.db2.gz RXQJVSUVOCZUFL-HOTGVXAUSA-N 2 2 339.443 2.343 10 30 EEEELP C=CC[NH2+]C[C@@H](CC(C)C)NC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1 ZINC001482386684 1185584498 /nfs/dbraw/zinc/58/44/98/1185584498.db2.gz VJNSCUHLWNPPBW-RHSMWYFYSA-N 2 2 333.480 2.097 10 30 EEEELP C=CC[NH2+]C[C@@H](CC(C)C)NC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1 ZINC001482386684 1185584504 /nfs/dbraw/zinc/58/45/04/1185584504.db2.gz VJNSCUHLWNPPBW-RHSMWYFYSA-N 2 2 333.480 2.097 10 30 EEEELP C#CCC[N@H+]1CCC[C@](C)(CNC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001484161884 1191250042 /nfs/dbraw/zinc/25/00/42/1191250042.db2.gz VBJZEAXUZGDSEI-HXUWFJFHSA-N 2 2 342.487 2.004 10 30 EEEELP C#CCC[N@@H+]1CCC[C@](C)(CNC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001484161884 1191250043 /nfs/dbraw/zinc/25/00/43/1191250043.db2.gz VBJZEAXUZGDSEI-HXUWFJFHSA-N 2 2 342.487 2.004 10 30 EEEELP C=CC[NH2+]CCN(Cc1ccccc1)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001484398894 1191331295 /nfs/dbraw/zinc/33/12/95/1191331295.db2.gz PDCVUHBEEZRTJN-GOSISDBHSA-N 2 2 338.455 2.250 10 30 EEEELP C=CCC[C@H](C)[N@H+]1C[C@H]2CN(C(=O)[C@@H](C)Cc3c[nH]c[nH+]3)C[C@H]2C1 ZINC001484411769 1191339094 /nfs/dbraw/zinc/33/90/94/1191339094.db2.gz UECYYBDZFDWIPM-LUKYLMHMSA-N 2 2 330.476 2.333 10 30 EEEELP C=CCC[C@H](C)[N@@H+]1C[C@H]2CN(C(=O)[C@@H](C)Cc3c[nH]c[nH+]3)C[C@H]2C1 ZINC001484411769 1191339095 /nfs/dbraw/zinc/33/90/95/1191339095.db2.gz UECYYBDZFDWIPM-LUKYLMHMSA-N 2 2 330.476 2.333 10 30 EEEELP C=CCC[C@H](C)[N@H+]1C[C@H]2CN(C(=O)[C@@H](C)Cc3c[nH+]c[nH]3)C[C@H]2C1 ZINC001484411769 1191339096 /nfs/dbraw/zinc/33/90/96/1191339096.db2.gz UECYYBDZFDWIPM-LUKYLMHMSA-N 2 2 330.476 2.333 10 30 EEEELP C=CCC[C@H](C)[N@@H+]1C[C@H]2CN(C(=O)[C@@H](C)Cc3c[nH+]c[nH]3)C[C@H]2C1 ZINC001484411769 1191339097 /nfs/dbraw/zinc/33/90/97/1191339097.db2.gz UECYYBDZFDWIPM-LUKYLMHMSA-N 2 2 330.476 2.333 10 30 EEEELP C=CCCC[NH2+]C[C@@H]1CN(C(=O)c2ccn3c(C)c[nH+]c3c2)CCO1 ZINC001484678211 1191467002 /nfs/dbraw/zinc/46/70/02/1191467002.db2.gz VTTKRWZGCXJAAF-QGZVFWFLSA-N 2 2 342.443 2.040 10 30 EEEELP N#Cc1ccc(C[NH+]2CCC([NH2+]CCC[C@@H]3CCOC3=O)CC2)cc1 ZINC000872118409 1198048961 /nfs/dbraw/zinc/04/89/61/1198048961.db2.gz ZDMDLIZXWDGFBP-GOSISDBHSA-N 2 2 341.455 2.456 10 30 EEEELP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)c1cccc(C#N)c1O ZINC000866307199 1201489553 /nfs/dbraw/zinc/48/95/53/1201489553.db2.gz UJRWTYMBDQSHGF-VHSSKADRSA-N 2 2 329.444 2.292 10 30 EEEELP COC(=O)[C@H](c1ccc(C#N)cc1)[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000866665692 1201574518 /nfs/dbraw/zinc/57/45/18/1201574518.db2.gz IDDNCSUNVDAKFJ-ROUUACIJSA-N 2 2 327.428 2.236 10 30 EEEELP COCC#CC[NH2+]C1(C)CCN(C(=O)c2c(C)cc(C)[nH+]c2C)CC1 ZINC001274356858 1205009437 /nfs/dbraw/zinc/00/94/37/1205009437.db2.gz KDQGABQQLWKCJR-UHFFFAOYSA-N 2 2 343.471 2.241 10 30 EEEELP C=CCOCC[N@@H+](C)C[C@H]1CCCN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001275120542 1205262078 /nfs/dbraw/zinc/26/20/78/1205262078.db2.gz FHJUZGZEXWMGGW-MRXNPFEDSA-N 2 2 342.443 2.302 10 30 EEEELP C=CCOCC[N@H+](C)C[C@H]1CCCN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001275120542 1205262082 /nfs/dbraw/zinc/26/20/82/1205262082.db2.gz FHJUZGZEXWMGGW-MRXNPFEDSA-N 2 2 342.443 2.302 10 30 EEEELP C=CCOCC[NH2+]C1CCC(N(C)C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001275609623 1205442485 /nfs/dbraw/zinc/44/24/85/1205442485.db2.gz YHIIWFFFBSLUKX-BHUNQDJPSA-N 2 2 346.475 2.075 10 30 EEEELP C=CCOCC[NH2+]C1CCC(N(C)C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001275609623 1205442486 /nfs/dbraw/zinc/44/24/86/1205442486.db2.gz YHIIWFFFBSLUKX-BHUNQDJPSA-N 2 2 346.475 2.075 10 30 EEEELP C=CC[C@H]1CC[N@@H+]1CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000934471202 1207968637 /nfs/dbraw/zinc/96/86/37/1207968637.db2.gz SQLZQKCGWOJJAY-SFHVURJKSA-N 2 2 329.444 2.108 10 30 EEEELP C=CC[C@H]1CC[N@H+]1CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000934471202 1207968639 /nfs/dbraw/zinc/96/86/39/1207968639.db2.gz SQLZQKCGWOJJAY-SFHVURJKSA-N 2 2 329.444 2.108 10 30 EEEELP C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H](C(C)C)[NH+]1CCCCC1)CO2 ZINC001273729080 1284274368 /nfs/dbraw/zinc/27/43/68/1284274368.db2.gz HNJNRAMMUSGKQF-MSOLQXFVSA-N 2 2 349.519 2.033 10 30 EEEELP C=CCC[NH2+][C@H]1CN(C(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)CC1(C)C ZINC001278661606 1317587102 /nfs/dbraw/zinc/58/71/02/1317587102.db2.gz JIBSYIQMGCJOGN-ROUUACIJSA-N 2 2 349.519 2.033 10 30 EEEELP C=CCC[NH2+][C@H]1CN(C(=O)[C@@H]2COCC[N@H+]2C2CCCC2)CC1(C)C ZINC001278661606 1317587109 /nfs/dbraw/zinc/58/71/09/1317587109.db2.gz JIBSYIQMGCJOGN-ROUUACIJSA-N 2 2 349.519 2.033 10 30 EEEELP C=C(C)C[N@H+](C)C[C@H]1CCCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001265391081 1323120984 /nfs/dbraw/zinc/12/09/84/1323120984.db2.gz SZCIMKHORKVQQK-IAGOWNOFSA-N 2 2 330.476 2.192 10 30 EEEELP C=C(C)C[N@@H+](C)C[C@H]1CCCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001265391081 1323120987 /nfs/dbraw/zinc/12/09/87/1323120987.db2.gz SZCIMKHORKVQQK-IAGOWNOFSA-N 2 2 330.476 2.192 10 30 EEEELP C=C(Cl)C[N@H+](C)CCCNC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001265944675 1323507397 /nfs/dbraw/zinc/50/73/97/1323507397.db2.gz NIEAHJBJKZTHGK-UHFFFAOYSA-N 2 2 333.823 2.072 10 30 EEEELP C=C(Cl)C[N@@H+](C)CCCNC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001265944675 1323507403 /nfs/dbraw/zinc/50/74/03/1323507403.db2.gz NIEAHJBJKZTHGK-UHFFFAOYSA-N 2 2 333.823 2.072 10 30 EEEELP C#CCC[N@H+]1CCC[C@H]1CCCNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001492154576 1331017028 /nfs/dbraw/zinc/01/70/28/1331017028.db2.gz PHQJGACWTAWGGT-GOSISDBHSA-N 2 2 342.487 2.146 10 30 EEEELP C#CCC[N@@H+]1CCC[C@H]1CCCNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001492154576 1331017034 /nfs/dbraw/zinc/01/70/34/1331017034.db2.gz PHQJGACWTAWGGT-GOSISDBHSA-N 2 2 342.487 2.146 10 30 EEEELP C=CCC[C@@H](C)[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCc1c[nH+]cn1C ZINC001317051538 1332061783 /nfs/dbraw/zinc/06/17/83/1332061783.db2.gz GQNINSPNQYZKKK-NXHRZFHOSA-N 2 2 330.476 2.383 10 30 EEEELP C=CCC[C@@H](C)[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCc1c[nH+]cn1C ZINC001317051538 1332061787 /nfs/dbraw/zinc/06/17/87/1332061787.db2.gz GQNINSPNQYZKKK-NXHRZFHOSA-N 2 2 330.476 2.383 10 30 EEEELP C#CCC[N@@H+](CCCNC(=O)c1ccn2c(C)c[nH+]c2c1)C(C)C ZINC001317687421 1332373591 /nfs/dbraw/zinc/37/35/91/1332373591.db2.gz ZCEFUMKVHUAQDQ-UHFFFAOYSA-N 2 2 326.444 2.496 10 30 EEEELP C#CCC[N@H+](CCCNC(=O)c1ccn2c(C)c[nH+]c2c1)C(C)C ZINC001317687421 1332373593 /nfs/dbraw/zinc/37/35/93/1332373593.db2.gz ZCEFUMKVHUAQDQ-UHFFFAOYSA-N 2 2 326.444 2.496 10 30 EEEELP C=C(C)C[NH2+]C1(CNC(=O)[C@H]2COCC[N@@H+]2C2CCCC2)CCCC1 ZINC001319373254 1332692116 /nfs/dbraw/zinc/69/21/16/1332692116.db2.gz YJROHXDKNVOHAH-GOSISDBHSA-N 2 2 349.519 2.225 10 30 EEEELP C=C(C)C[NH2+]C1(CNC(=O)[C@H]2COCC[N@H+]2C2CCCC2)CCCC1 ZINC001319373254 1332692117 /nfs/dbraw/zinc/69/21/17/1332692117.db2.gz YJROHXDKNVOHAH-GOSISDBHSA-N 2 2 349.519 2.225 10 30 EEEELP C=CCOCC[NH2+]C[C@H]1CCC[C@H]1NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001320149768 1332838435 /nfs/dbraw/zinc/83/84/35/1332838435.db2.gz YLIAXHONGDZFRV-GDBMZVCRSA-N 2 2 342.443 2.254 10 30 EEEELP C=CCCC[N@@H+]1CC[C@@H](C2CCN(C(=O)Cn3cc[nH+]c3)CC2)C1 ZINC001323639142 1333505237 /nfs/dbraw/zinc/50/52/37/1333505237.db2.gz XRLXYTIWTKTRKY-GOSISDBHSA-N 2 2 330.476 2.410 10 30 EEEELP C=CCCC[N@H+]1CC[C@@H](C2CCN(C(=O)Cn3cc[nH+]c3)CC2)C1 ZINC001323639142 1333505239 /nfs/dbraw/zinc/50/52/39/1333505239.db2.gz XRLXYTIWTKTRKY-GOSISDBHSA-N 2 2 330.476 2.410 10 30 EEEELP C=C(Cl)C[NH2+]CC[C@@H]1CCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001326304110 1334064367 /nfs/dbraw/zinc/06/43/67/1334064367.db2.gz OLXWEQUBMGLOFK-HUUCEWRRSA-N 2 2 336.867 2.026 10 30 EEEELP C=CCC[C@H](C)[NH2+]C1(CNC(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)CC1 ZINC001569415128 1342867603 /nfs/dbraw/zinc/86/76/03/1342867603.db2.gz YGPQSZZDEHTJET-WMZOPIPTSA-N 2 2 349.519 2.223 10 30 EEEELP C=CCC[C@H](C)[NH2+]C1(CNC(=O)[C@@H]2COCC[N@H+]2C2CCCC2)CC1 ZINC001569415128 1342867611 /nfs/dbraw/zinc/86/76/11/1342867611.db2.gz YGPQSZZDEHTJET-WMZOPIPTSA-N 2 2 349.519 2.223 10 30 EEEELP CC#CC[NH2+]CC(C)(C)CN(C)C(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC001570686490 1343102289 /nfs/dbraw/zinc/10/22/89/1343102289.db2.gz OYGMGYBCTXRVIJ-UHFFFAOYSA-N 2 2 340.471 2.283 10 30 EEEELP C=CCCC[N@@H+]1C[C@@]2(C)CN(C(=O)CCn3cc[nH+]c3)C[C@@]2(C)C1 ZINC001571064584 1343158601 /nfs/dbraw/zinc/15/86/01/1343158601.db2.gz RWJWGTOOGGWFNJ-KDURUIRLSA-N 2 2 330.476 2.410 10 30 EEEELP C=CCCC[N@H+]1C[C@@]2(C)CN(C(=O)CCn3cc[nH+]c3)C[C@@]2(C)C1 ZINC001571064584 1343158605 /nfs/dbraw/zinc/15/86/05/1343158605.db2.gz RWJWGTOOGGWFNJ-KDURUIRLSA-N 2 2 330.476 2.410 10 30 EEEELP C#CC[NH+]1CCC(C2(NC(=O)[C@H](CC(C)C)n3cc[nH+]c3)CC2)CC1 ZINC001571668714 1343267798 /nfs/dbraw/zinc/26/77/98/1343267798.db2.gz BDNHXZPCWIBITH-SFHVURJKSA-N 2 2 342.487 2.464 10 30 EEEELP COCC#CC[NH2+]C[C@H](NC(=O)c1c(C)cc(C)[nH+]c1C)C(C)(C)C ZINC001677266491 1357304245 /nfs/dbraw/zinc/30/42/45/1357304245.db2.gz HYRCUWZJLDWMOX-KRWDZBQOSA-N 2 2 345.487 2.391 10 30 EEEELP C#CCC[N@H+]1CC[C@@H](NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC(C)(C)C1 ZINC001657105761 1354328022 /nfs/dbraw/zinc/32/80/22/1354328022.db2.gz CAVXRMIWSRONOD-HZPDHXFCSA-N 2 2 330.476 2.218 10 30 EEEELP C#CCC[N@@H+]1CC[C@@H](NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC(C)(C)C1 ZINC001657105761 1354328026 /nfs/dbraw/zinc/32/80/26/1354328026.db2.gz CAVXRMIWSRONOD-HZPDHXFCSA-N 2 2 330.476 2.218 10 30 EEEELP C#CCC[N@H+]1CC[C@@H](NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC(C)(C)C1 ZINC001657105761 1354328030 /nfs/dbraw/zinc/32/80/30/1354328030.db2.gz CAVXRMIWSRONOD-HZPDHXFCSA-N 2 2 330.476 2.218 10 30 EEEELP C#CCC[N@@H+]1CC[C@@H](NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC(C)(C)C1 ZINC001657105761 1354328033 /nfs/dbraw/zinc/32/80/33/1354328033.db2.gz CAVXRMIWSRONOD-HZPDHXFCSA-N 2 2 330.476 2.218 10 30 EEEELP C=CCOc1cccc(C[NH2+]CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)c1 ZINC001661224690 1354612093 /nfs/dbraw/zinc/61/20/93/1354612093.db2.gz SAOCZAARDMEUGM-LJQANCHMSA-N 2 2 345.487 2.284 10 30 EEEELP C=CCOc1cccc(C[NH2+]CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)c1 ZINC001661224690 1354612099 /nfs/dbraw/zinc/61/20/99/1354612099.db2.gz SAOCZAARDMEUGM-LJQANCHMSA-N 2 2 345.487 2.284 10 30 EEEELP C=CCC[NH2+]CC[C@@H]1CCCN(C(=O)Cc2c[nH+]ccc2OC)C1 ZINC001666119702 1355457235 /nfs/dbraw/zinc/45/72/35/1355457235.db2.gz FJYYWVVLELADSQ-INIZCTEOSA-N 2 2 331.460 2.427 10 30 EEEELP C=C(C)C[NH2+]C[C@@H](CC(C)C)NC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1 ZINC001667086292 1355646472 /nfs/dbraw/zinc/64/64/72/1355646472.db2.gz IYDICDUDELSDSD-CRAIPNDOSA-N 2 2 347.507 2.487 10 30 EEEELP C=C(C)C[NH2+]C[C@@H](CC(C)C)NC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1 ZINC001667086292 1355646477 /nfs/dbraw/zinc/64/64/77/1355646477.db2.gz IYDICDUDELSDSD-CRAIPNDOSA-N 2 2 347.507 2.487 10 30 EEEELP C=C(C)CC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)Cc1c[nH+]ccc1OC ZINC001667733480 1355801041 /nfs/dbraw/zinc/80/10/41/1355801041.db2.gz IQDYRMLKODHIPJ-WBVHZDCISA-N 2 2 331.460 2.473 10 30 EEEELP C=CCCC[NH2+][C@H](C)[C@H]1CN(C(=O)c2cccc3[nH+]ccn32)CCO1 ZINC001675604156 1357013046 /nfs/dbraw/zinc/01/30/46/1357013046.db2.gz BOSRJLZQOBEVGR-NVXWUHKLSA-N 2 2 342.443 2.120 10 30 EEEELP C=CC[N@H+]1CC[C@H](N(CCC)C(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001691864650 1404952029 /nfs/dbraw/zinc/95/20/29/1404952029.db2.gz QUDFZCOEIAYFEB-INIZCTEOSA-N 2 2 346.475 2.383 10 30 EEEELP C=CC[N@@H+]1CC[C@H](N(CCC)C(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001691864650 1404952037 /nfs/dbraw/zinc/95/20/37/1404952037.db2.gz QUDFZCOEIAYFEB-INIZCTEOSA-N 2 2 346.475 2.383 10 30 EEEELP C=C(C)C[N@H+]1CC[C@H](NC(=O)Cc2c[nH+]ccc2OC)C(C)(C)C1 ZINC000940831069 779374264 /nfs/dbraw/zinc/37/42/64/779374264.db2.gz DNPIIJMPOWLKIX-KRWDZBQOSA-N 2 2 331.460 2.426 10 30 EEEELP C=C(C)C[N@@H+]1CC[C@H](NC(=O)Cc2c[nH+]ccc2OC)C(C)(C)C1 ZINC000940831069 779374276 /nfs/dbraw/zinc/37/42/76/779374276.db2.gz DNPIIJMPOWLKIX-KRWDZBQOSA-N 2 2 331.460 2.426 10 30 EEEELP C=CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2COCC[NH+]2C2CCCC2)C(C)(C)C1 ZINC000940973946 779598541 /nfs/dbraw/zinc/59/85/41/779598541.db2.gz ZYOSWCZQUJJXJU-ZWKOTPCHSA-N 2 2 349.519 2.033 10 30 EEEELP C=CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2COCC[NH+]2C2CCCC2)C(C)(C)C1 ZINC000940973946 779598546 /nfs/dbraw/zinc/59/85/46/779598546.db2.gz ZYOSWCZQUJJXJU-ZWKOTPCHSA-N 2 2 349.519 2.033 10 30 EEEELP C=CC[NH+]1CC[C@@H](NC(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)C(C)(C)C1 ZINC000940973946 779598552 /nfs/dbraw/zinc/59/85/52/779598552.db2.gz ZYOSWCZQUJJXJU-ZWKOTPCHSA-N 2 2 349.519 2.033 10 30 EEEELP C=CC[NH+]1CC[C@@H](NC(=O)[C@@H]2COCC[N@H+]2C2CCCC2)C(C)(C)C1 ZINC000940973946 779598561 /nfs/dbraw/zinc/59/85/61/779598561.db2.gz ZYOSWCZQUJJXJU-ZWKOTPCHSA-N 2 2 349.519 2.033 10 30 EEEELP CC(C)[C@@H](CCNC(=O)Cc1c[nH]c[nH+]1)[NH2+]Cc1ccccc1C#N ZINC001441417980 1095001685 /nfs/dbraw/zinc/00/16/85/1095001685.db2.gz ORWGQGDZTXVDFD-GOSISDBHSA-N 2 2 339.443 2.145 10 30 EEEELP C=CCCC[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001480285850 1099993454 /nfs/dbraw/zinc/99/34/54/1099993454.db2.gz CXWVJUNEZJFLEW-DLBZAZTESA-N 2 2 330.476 2.240 10 30 EEEELP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N(C)CC[NH+](C)Cc1ccccc1C#N ZINC001496842180 1101581993 /nfs/dbraw/zinc/58/19/93/1101581993.db2.gz UZZBVTAHUDXUAP-CALCHBBNSA-N 2 2 342.487 2.321 10 30 EEEELP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N(C)CC[NH+](C)Cc1ccccc1C#N ZINC001496842180 1101582002 /nfs/dbraw/zinc/58/20/02/1101582002.db2.gz UZZBVTAHUDXUAP-CALCHBBNSA-N 2 2 342.487 2.321 10 30 EEEELP C[C@@H]1CC[C@H](C)[NH+]1CC(=O)N(C)CC[N@H+](C)Cc1ccccc1C#N ZINC001496842180 1101582009 /nfs/dbraw/zinc/58/20/09/1101582009.db2.gz UZZBVTAHUDXUAP-CALCHBBNSA-N 2 2 342.487 2.321 10 30 EEEELP C[C@@H]1CC[C@H](C)[NH+]1CC(=O)N(C)CC[N@@H+](C)Cc1ccccc1C#N ZINC001496842180 1101582018 /nfs/dbraw/zinc/58/20/18/1101582018.db2.gz UZZBVTAHUDXUAP-CALCHBBNSA-N 2 2 342.487 2.321 10 30 EEEELP C[C@@H](C[NH2+]Cc1cccc(C#N)c1)N(C)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001496076795 1102016349 /nfs/dbraw/zinc/01/63/49/1102016349.db2.gz FOOLWIUCTUHYNC-IAOVAPTHSA-N 2 2 337.427 2.022 10 30 EEEELP C[C@@H](C[NH2+]Cc1cccc(C#N)c1)N(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001496076795 1102016365 /nfs/dbraw/zinc/01/63/65/1102016365.db2.gz FOOLWIUCTUHYNC-IAOVAPTHSA-N 2 2 337.427 2.022 10 30 EEEELP C[N@@H+]1CCC[C@@H]1CCC(=O)NC[C@H]1CC[NH+]1CC#Cc1ccccc1 ZINC001498998713 1108435479 /nfs/dbraw/zinc/43/54/79/1108435479.db2.gz QNAMTVCHPXCXMN-WOJBJXKFSA-N 2 2 339.483 2.103 10 30 EEEELP C[N@H+]1CCC[C@@H]1CCC(=O)NC[C@H]1CC[NH+]1CC#Cc1ccccc1 ZINC001498998713 1108435482 /nfs/dbraw/zinc/43/54/82/1108435482.db2.gz QNAMTVCHPXCXMN-WOJBJXKFSA-N 2 2 339.483 2.103 10 30 EEEELP C[NH+]1CCC[C@@H]1CCC(=O)NC[C@H]1CC[N@@H+]1CC#Cc1ccccc1 ZINC001498998713 1108435488 /nfs/dbraw/zinc/43/54/88/1108435488.db2.gz QNAMTVCHPXCXMN-WOJBJXKFSA-N 2 2 339.483 2.103 10 30 EEEELP C[NH+]1CCC[C@@H]1CCC(=O)NC[C@H]1CC[N@H+]1CC#Cc1ccccc1 ZINC001498998713 1108435492 /nfs/dbraw/zinc/43/54/92/1108435492.db2.gz QNAMTVCHPXCXMN-WOJBJXKFSA-N 2 2 339.483 2.103 10 30 EEEELP C=C(C)CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CCn3cc[nH+]c3)C[C@H]21 ZINC001507362527 1115222852 /nfs/dbraw/zinc/22/28/52/1115222852.db2.gz RFDBYQZKYZJSMR-RCCFBDPRSA-N 2 2 330.476 2.456 10 30 EEEELP C=CCC[NH2+]C[C@@](C)(NC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1)C1CC1 ZINC001568022090 1124234548 /nfs/dbraw/zinc/23/45/48/1124234548.db2.gz QMWBEXJTAJUQQO-IEBWSBKVSA-N 2 2 345.491 2.241 10 30 EEEELP C=CCC[NH2+]C[C@@](C)(NC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1)C1CC1 ZINC001568022090 1124234551 /nfs/dbraw/zinc/23/45/51/1124234551.db2.gz QMWBEXJTAJUQQO-IEBWSBKVSA-N 2 2 345.491 2.241 10 30 EEEELP C#CCC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001568407224 1124476364 /nfs/dbraw/zinc/47/63/64/1124476364.db2.gz QBXSDDCRAIDGMA-IAGOWNOFSA-N 2 2 330.476 2.167 10 30 EEEELP Cc1ncncc1C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000329541780 539776014 /nfs/dbraw/zinc/77/60/14/539776014.db2.gz DPDJJGMIDXIXKX-UHFFFAOYSA-N 2 2 331.464 2.040 10 30 EEEELP C[NH+](C)[C@@H]1CCN(C(=O)N[C@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)C1 ZINC000329295085 465291096 /nfs/dbraw/zinc/29/10/96/465291096.db2.gz SJQFXEBFRXSAHV-UONOGXRCSA-N 2 2 333.480 2.045 10 30 EEEELP C=CCCC[C@H](C)[NH+]1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000091512119 462886238 /nfs/dbraw/zinc/88/62/38/462886238.db2.gz FQJWJAQZBNMTTG-KRWDZBQOSA-N 2 2 345.491 2.180 10 30 EEEELP C[NH+]1CCN([C@@H]2CCCC[N@H+](Cc3cc(C#N)ccc3F)C2)CC1 ZINC000174874885 464461371 /nfs/dbraw/zinc/46/13/71/464461371.db2.gz LDRZFENFTAFCCW-GOSISDBHSA-N 2 2 330.451 2.299 10 30 EEEELP C[NH+]1CCN([C@@H]2CCCC[N@@H+](Cc3cc(C#N)ccc3F)C2)CC1 ZINC000174874885 464461377 /nfs/dbraw/zinc/46/13/77/464461377.db2.gz LDRZFENFTAFCCW-GOSISDBHSA-N 2 2 330.451 2.299 10 30 EEEELP N#CCCCC[C@@H]([NH3+])C(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000594445767 468591367 /nfs/dbraw/zinc/59/13/67/468591367.db2.gz LMCMZHJLVVHGFU-CQSZACIVSA-N 2 2 335.477 2.479 10 30 EEEELP C#CC[NH+]1CCN(C(=O)C[NH2+][C@@H]2CCCC[C@@H]2c2ccccc2)CC1 ZINC000776484162 577460641 /nfs/dbraw/zinc/46/06/41/577460641.db2.gz MQWUCLKNKIZQKO-WOJBJXKFSA-N 2 2 339.483 2.080 10 30 EEEELP C=C(C)C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001691360921 1177964644 /nfs/dbraw/zinc/96/46/44/1177964644.db2.gz RJDSJRGONCZGAT-IKGGRYGDSA-N 2 2 330.476 2.238 10 30 EEEELP C#CC[N@H+]1CC[C@@H](N(CCC)C(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001267543310 1179320235 /nfs/dbraw/zinc/32/02/35/1179320235.db2.gz FFRQJSXWVVALAL-MSOLQXFVSA-N 2 2 330.476 2.416 10 30 EEEELP C#CC[N@@H+]1CC[C@@H](N(CCC)C(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001267543310 1179320243 /nfs/dbraw/zinc/32/02/43/1179320243.db2.gz FFRQJSXWVVALAL-MSOLQXFVSA-N 2 2 330.476 2.416 10 30 EEEELP C=CCCC[NH2+]C[C@](C)(NC(=O)[C@H]1CCc2[nH+]ccn2C1)C1CC1 ZINC001267855670 1180639848 /nfs/dbraw/zinc/63/98/48/1180639848.db2.gz FOORJGDLBWQWBT-KXBFYZLASA-N 2 2 330.476 2.286 10 30 EEEELP C=C(C)CC[NH2+]CC=CCNC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1 ZINC001268541557 1183211146 /nfs/dbraw/zinc/21/11/46/1183211146.db2.gz GZUHSOYGSGWPNE-VGOKWCNXSA-N 2 2 331.464 2.018 10 30 EEEELP C=C(C)CC[NH2+]CC=CCNC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1 ZINC001268541557 1183211150 /nfs/dbraw/zinc/21/11/50/1183211150.db2.gz GZUHSOYGSGWPNE-VGOKWCNXSA-N 2 2 331.464 2.018 10 30 EEEELP C=C(C)C[NH2+]C[C@](C)(NC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1)C1CC1 ZINC001269620071 1184444659 /nfs/dbraw/zinc/44/46/59/1184444659.db2.gz YDMLCIIWKDZMJE-HKUYNNGSSA-N 2 2 345.491 2.241 10 30 EEEELP C=C(C)C[NH2+]C[C@](C)(NC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1)C1CC1 ZINC001269620071 1184444664 /nfs/dbraw/zinc/44/46/64/1184444664.db2.gz YDMLCIIWKDZMJE-HKUYNNGSSA-N 2 2 345.491 2.241 10 30 EEEELP C=CC[NH2+]CC[C@H]1CCCN(C(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC001269759570 1184596906 /nfs/dbraw/zinc/59/69/06/1184596906.db2.gz DPVPEMLCAWLKGT-MJGOQNOKSA-N 2 2 349.519 2.034 10 30 EEEELP C=CC[NH2+]CC[C@H]1CCCN(C(=O)[C@@H]2COCC[N@H+]2C2CCCC2)C1 ZINC001269759570 1184596912 /nfs/dbraw/zinc/59/69/12/1184596912.db2.gz DPVPEMLCAWLKGT-MJGOQNOKSA-N 2 2 349.519 2.034 10 30 EEEELP C[C@@H](C[NH2+]CC#Cc1ccccc1)N(C)C(=O)c1cccc2[nH+]ccn21 ZINC001482309046 1185271697 /nfs/dbraw/zinc/27/16/97/1185271697.db2.gz RJGCRJXESJXOQY-KRWDZBQOSA-N 2 2 346.434 2.436 10 30 EEEELP C=C(Cl)C[N@@H+](C)CCN(C)C(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001482628053 1187452918 /nfs/dbraw/zinc/45/29/18/1187452918.db2.gz BEUQEHBGHWYCCW-MRXNPFEDSA-N 2 2 333.879 2.342 10 30 EEEELP C=C(Cl)C[N@H+](C)CCN(C)C(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001482628053 1187452919 /nfs/dbraw/zinc/45/29/19/1187452919.db2.gz BEUQEHBGHWYCCW-MRXNPFEDSA-N 2 2 333.879 2.342 10 30 EEEELP C=C(Cl)C[NH+](C)CCN(C)C(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001482628053 1187452920 /nfs/dbraw/zinc/45/29/20/1187452920.db2.gz BEUQEHBGHWYCCW-MRXNPFEDSA-N 2 2 333.879 2.342 10 30 EEEELP C=C(Cl)C[NH+](C)CCN(C)C(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001482628053 1187452921 /nfs/dbraw/zinc/45/29/21/1187452921.db2.gz BEUQEHBGHWYCCW-MRXNPFEDSA-N 2 2 333.879 2.342 10 30 EEEELP C[C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)[NH+](C)Cc1cc(F)ccc1C#N ZINC001409599030 1190091067 /nfs/dbraw/zinc/09/10/67/1190091067.db2.gz VYTKZMATSRJGLN-KBXCAEBGSA-N 2 2 346.450 2.118 10 30 EEEELP C[C@@H](CNC(=O)[C@H]1CCCC[N@H+]1C)[NH+](C)Cc1cc(F)ccc1C#N ZINC001409599030 1190091070 /nfs/dbraw/zinc/09/10/70/1190091070.db2.gz VYTKZMATSRJGLN-KBXCAEBGSA-N 2 2 346.450 2.118 10 30 EEEELP C[C@@H](CNC(=O)[C@H]1CCCC[NH+]1C)[N@H+](C)Cc1cc(F)ccc1C#N ZINC001409599030 1190091071 /nfs/dbraw/zinc/09/10/71/1190091071.db2.gz VYTKZMATSRJGLN-KBXCAEBGSA-N 2 2 346.450 2.118 10 30 EEEELP C[C@@H](CNC(=O)[C@H]1CCCC[NH+]1C)[N@@H+](C)Cc1cc(F)ccc1C#N ZINC001409599030 1190091073 /nfs/dbraw/zinc/09/10/73/1190091073.db2.gz VYTKZMATSRJGLN-KBXCAEBGSA-N 2 2 346.450 2.118 10 30 EEEELP C=C(C)C[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)CCc2[nH+]ccn2C)C1 ZINC001484198665 1191269626 /nfs/dbraw/zinc/26/96/26/1191269626.db2.gz KVKDDXZSPOSYLP-AWEZNQCLSA-N 2 2 340.418 2.002 10 30 EEEELP C=C(C)C[N@H+]1CCC(F)(F)[C@@H](CNC(=O)CCc2[nH+]ccn2C)C1 ZINC001484198665 1191269628 /nfs/dbraw/zinc/26/96/28/1191269628.db2.gz KVKDDXZSPOSYLP-AWEZNQCLSA-N 2 2 340.418 2.002 10 30 EEEELP C=CCC[C@@H](C)[NH2+]CC1(NC(=O)[C@@H]2C[N@H+](C)CCO2)CCCCC1 ZINC001485447602 1191793822 /nfs/dbraw/zinc/79/38/22/1191793822.db2.gz BCTOERCLTYNGFU-SJORKVTESA-N 2 2 337.508 2.080 10 30 EEEELP C=CCC[C@@H](C)[NH2+]CC1(NC(=O)[C@@H]2C[N@@H+](C)CCO2)CCCCC1 ZINC001485447602 1191793824 /nfs/dbraw/zinc/79/38/24/1191793824.db2.gz BCTOERCLTYNGFU-SJORKVTESA-N 2 2 337.508 2.080 10 30 EEEELP C=CCC[NH2+][C@@H]1CN(C(=O)CCn2cc[nH+]c2)CC[C@H]1C(F)(F)F ZINC001486452133 1193973534 /nfs/dbraw/zinc/97/35/34/1193973534.db2.gz FKFJHOOEDXCECM-ZIAGYGMSSA-N 2 2 344.381 2.218 10 30 EEEELP C=CCCC[N@H+]1CC=C(CNC(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC001486511556 1194028910 /nfs/dbraw/zinc/02/89/10/1194028910.db2.gz KHTSOMLHEQRZPZ-KRWDZBQOSA-N 2 2 328.460 2.160 10 30 EEEELP C=CCCC[N@@H+]1CC=C(CNC(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC001486511556 1194028914 /nfs/dbraw/zinc/02/89/14/1194028914.db2.gz KHTSOMLHEQRZPZ-KRWDZBQOSA-N 2 2 328.460 2.160 10 30 EEEELP CCN(CC[NH2+]Cc1ccc(C#N)cc1)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001273434065 1198916708 /nfs/dbraw/zinc/91/67/08/1198916708.db2.gz KIMWNSDQQWEYBN-IAGOWNOFSA-N 2 2 337.427 2.023 10 30 EEEELP CCN(CC[NH2+]Cc1ccc(C#N)cc1)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001273434065 1198916710 /nfs/dbraw/zinc/91/67/10/1198916710.db2.gz KIMWNSDQQWEYBN-IAGOWNOFSA-N 2 2 337.427 2.023 10 30 EEEELP COC(=O)[C@H](c1ccc(C#N)cc1)[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000866665689 1201574427 /nfs/dbraw/zinc/57/44/27/1201574427.db2.gz IDDNCSUNVDAKFJ-MSOLQXFVSA-N 2 2 327.428 2.236 10 30 EEEELP COC(=O)[C@@H](c1ccc(C#N)cc1)[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000866669075 1201575239 /nfs/dbraw/zinc/57/52/39/1201575239.db2.gz OPQVUDQURRDJPK-RTBURBONSA-N 2 2 341.455 2.484 10 30 EEEELP C#Cc1ccc(NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)c(Cl)c1 ZINC000933354676 1207760581 /nfs/dbraw/zinc/76/05/81/1207760581.db2.gz DORMJTBWGLCFAI-UHFFFAOYSA-N 2 2 336.867 2.326 10 30 EEEELP C#Cc1ccc(NC(=O)NCC[N@H+](C)CCC[NH+](C)C)c(Cl)c1 ZINC000933354676 1207760583 /nfs/dbraw/zinc/76/05/83/1207760583.db2.gz DORMJTBWGLCFAI-UHFFFAOYSA-N 2 2 336.867 2.326 10 30 EEEELP C=C(C)CC[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001491156120 1258733052 /nfs/dbraw/zinc/73/30/52/1258733052.db2.gz IGAFSHQMDADFCR-DLBZAZTESA-N 2 2 330.476 2.240 10 30 EEEELP C#CCN(C(=O)Cc1cn2c([nH+]1)CCCC2)C1CC[NH+](C(C)C)CC1 ZINC001278150937 1306111261 /nfs/dbraw/zinc/11/12/61/1306111261.db2.gz GEHREYXECVXFEY-UHFFFAOYSA-N 2 2 342.487 2.097 10 30 EEEELP C=C(C)C[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CCCn3cc[nH+]c3)C[C@@H]21 ZINC001278494317 1310750673 /nfs/dbraw/zinc/75/06/73/1310750673.db2.gz OMKWTCJWVDNASW-OKZBNKHCSA-N 2 2 330.476 2.456 10 30 EEEELP C=CCC[NH2+]C[C@H]1CN(C(=O)Cn2cc[nH+]c2)CC[C@@H]1C(F)(F)F ZINC001264038091 1322595215 /nfs/dbraw/zinc/59/52/15/1322595215.db2.gz DJLDGSSFFNABQC-KBPBESRZSA-N 2 2 344.381 2.076 10 30 EEEELP C=C(C)CC[NH2+]C[C@H]1CCN(C(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001265979784 1323539989 /nfs/dbraw/zinc/53/99/89/1323539989.db2.gz SZHPVHGNXIQQGL-MRXNPFEDSA-N 2 2 330.476 2.166 10 30 EEEELP C=CC[NH2+]CC1(c2ccccc2)CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001281587590 1325326811 /nfs/dbraw/zinc/32/68/11/1325326811.db2.gz VMYAYBRGJWVXTP-UHFFFAOYSA-N 2 2 338.455 2.219 10 30 EEEELP C=C(C)C[NH+](CCCNC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1)C1CC1 ZINC001316917097 1331983080 /nfs/dbraw/zinc/98/30/80/1331983080.db2.gz YQLNUUCKSODCMG-SFHVURJKSA-N 2 2 345.491 2.337 10 30 EEEELP C=C(C)C[NH+](CCCNC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1)C1CC1 ZINC001316917097 1331983082 /nfs/dbraw/zinc/98/30/82/1331983082.db2.gz YQLNUUCKSODCMG-SFHVURJKSA-N 2 2 345.491 2.337 10 30 EEEELP C=C(C)C[N@@H+](CCCNC(=O)c1cc([C@@H]2CCC[NH+]2C)n[nH]1)C1CC1 ZINC001316917097 1331983086 /nfs/dbraw/zinc/98/30/86/1331983086.db2.gz YQLNUUCKSODCMG-SFHVURJKSA-N 2 2 345.491 2.337 10 30 EEEELP C=C(C)C[N@H+](CCCNC(=O)c1cc([C@@H]2CCC[NH+]2C)n[nH]1)C1CC1 ZINC001316917097 1331983089 /nfs/dbraw/zinc/98/30/89/1331983089.db2.gz YQLNUUCKSODCMG-SFHVURJKSA-N 2 2 345.491 2.337 10 30 EEEELP C=C(C)C[NH2+][C@@H](CNC(=O)CCc1c[nH+]cn1C)c1ccccc1 ZINC001317727620 1332390432 /nfs/dbraw/zinc/39/04/32/1332390432.db2.gz VFJSMNJVQLRHRN-SFHVURJKSA-N 2 2 326.444 2.376 10 30 EEEELP C=CCC[C@H](C)[N@@H+]1CC[C@@H]1CNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001323244198 1333420513 /nfs/dbraw/zinc/42/05/13/1333420513.db2.gz UZZNDSWUGRIEEB-DOTOQJQBSA-N 2 2 330.476 2.307 10 30 EEEELP C=CCC[C@H](C)[N@H+]1CC[C@@H]1CNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001323244198 1333420517 /nfs/dbraw/zinc/42/05/17/1333420517.db2.gz UZZNDSWUGRIEEB-DOTOQJQBSA-N 2 2 330.476 2.307 10 30 EEEELP C#CC[N@H+]1CCC[C@@](C)(CNC(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001324942837 1333792185 /nfs/dbraw/zinc/79/21/85/1333792185.db2.gz ARQLAEVEFJXRGX-HKUYNNGSSA-N 2 2 330.476 2.322 10 30 EEEELP C#CC[N@@H+]1CCC[C@@](C)(CNC(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001324942837 1333792186 /nfs/dbraw/zinc/79/21/86/1333792186.db2.gz ARQLAEVEFJXRGX-HKUYNNGSSA-N 2 2 330.476 2.322 10 30 EEEELP C=CCCC[N@@H+](C)C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001331053359 1334953993 /nfs/dbraw/zinc/95/39/93/1334953993.db2.gz HXFVOSNSRKZVEM-IAGOWNOFSA-N 2 2 330.476 2.413 10 30 EEEELP C=CCCC[N@H+](C)C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001331053359 1334953994 /nfs/dbraw/zinc/95/39/94/1334953994.db2.gz HXFVOSNSRKZVEM-IAGOWNOFSA-N 2 2 330.476 2.413 10 30 EEEELP CC#CC[NH2+]C[C@]1(C)CCN(C(=O)Cc2cn3cccc(C)c3[nH+]2)C1 ZINC001569686163 1342924092 /nfs/dbraw/zinc/92/40/92/1342924092.db2.gz BUQCDWVPJTUXBA-FQEVSTJZSA-N 2 2 338.455 2.037 10 30 EEEELP C#CC[NH+]1CCC2(CCN(C(=O)CCCn3cc[nH+]c3)CC2)CC1 ZINC001570486919 1343074072 /nfs/dbraw/zinc/07/40/72/1343074072.db2.gz JGAQKYJBHOEIPP-UHFFFAOYSA-N 2 2 328.460 2.001 10 30 EEEELP C=C[C@@H](COC)[NH2+]Cc1ccc(C[NH+](C)C)c2c1OC(F)(F)O2 ZINC001656126123 1354206291 /nfs/dbraw/zinc/20/62/91/1354206291.db2.gz AGWCNTCBPAUMNA-ZDUSSCGKSA-N 2 2 328.359 2.360 10 30 EEEELP CC#CC[NH2+]CC[C@H]1[C@@H](C)CCCN1C(=O)CCCn1cc[nH+]c1 ZINC001656454877 1354239985 /nfs/dbraw/zinc/23/99/85/1354239985.db2.gz VRMFRJMJROIVTP-ROUUACIJSA-N 2 2 330.476 2.293 10 30 EEEELP CC#CC[NH2+][C@@H]1CCC[C@@H](NC(=O)Cc2cn3cccc(C)c3[nH+]2)C1 ZINC001662784913 1354845925 /nfs/dbraw/zinc/84/59/25/1354845925.db2.gz KRTCSULCRUSVDC-IAGOWNOFSA-N 2 2 338.455 2.226 10 30 EEEELP C=CCC[C@@H](C)[N@H+](CCNC(=O)[C@@H]1CCn2c[nH+]cc2C1)C1CC1 ZINC001663735613 1355024439 /nfs/dbraw/zinc/02/44/39/1355024439.db2.gz SQQGFRRWLSSCFP-HZPDHXFCSA-N 2 2 330.476 2.381 10 30 EEEELP C=CCC[C@@H](C)[N@@H+](CCNC(=O)[C@@H]1CCn2c[nH+]cc2C1)C1CC1 ZINC001663735613 1355024442 /nfs/dbraw/zinc/02/44/42/1355024442.db2.gz SQQGFRRWLSSCFP-HZPDHXFCSA-N 2 2 330.476 2.381 10 30 EEEELP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2[C@@H](C)CCC=C ZINC001664624684 1355201236 /nfs/dbraw/zinc/20/12/36/1355201236.db2.gz GMUMQDIOTYNRDW-OKYOBFRVSA-N 2 2 329.488 2.114 10 30 EEEELP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H](C)CCC=C ZINC001664624684 1355201240 /nfs/dbraw/zinc/20/12/40/1355201240.db2.gz GMUMQDIOTYNRDW-OKYOBFRVSA-N 2 2 329.488 2.114 10 30 EEEELP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2[C@@H](C)CCC=C ZINC001664624684 1355201243 /nfs/dbraw/zinc/20/12/43/1355201243.db2.gz GMUMQDIOTYNRDW-OKYOBFRVSA-N 2 2 329.488 2.114 10 30 EEEELP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2[C@@H](C)CCC=C ZINC001664624684 1355201245 /nfs/dbraw/zinc/20/12/45/1355201245.db2.gz GMUMQDIOTYNRDW-OKYOBFRVSA-N 2 2 329.488 2.114 10 30 EEEELP CC#CC[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001667325315 1355709568 /nfs/dbraw/zinc/70/95/68/1355709568.db2.gz BNIPXWOZOIRMGM-FUHWJXTLSA-N 2 2 338.455 2.496 10 30 EEEELP C[C@H](CC(=O)NC/C=C/C[NH2+]Cc1cccc(C#N)c1)n1cc[nH+]c1 ZINC001699317630 1405333447 /nfs/dbraw/zinc/33/34/47/1405333447.db2.gz SZGOAAXQGQBQJK-WOMSROEHSA-N 2 2 337.427 2.168 10 30 EEEELP C=C(C)CC[NH2+]C1(CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)CCCC1 ZINC001495924413 1101769480 /nfs/dbraw/zinc/76/94/80/1101769480.db2.gz SCGBJICHQPXANT-MRXNPFEDSA-N 2 2 330.476 2.430 10 30 EEEELP C=C(C)C[NH+]1CCC(NC(=O)[C@H](CC)[N@@H+]2CCO[C@@H](CC)C2)CC1 ZINC001464911321 1110407308 /nfs/dbraw/zinc/40/73/08/1110407308.db2.gz XTJVOYKKMMNEHN-ROUUACIJSA-N 2 2 337.508 2.033 10 30 EEEELP C=C(C)C[NH+]1CCC(NC(=O)[C@H](CC)[N@H+]2CCO[C@@H](CC)C2)CC1 ZINC001464911321 1110407309 /nfs/dbraw/zinc/40/73/09/1110407309.db2.gz XTJVOYKKMMNEHN-ROUUACIJSA-N 2 2 337.508 2.033 10 30 EEEELP C=C(C)C[NH+]1CCC(C)(CNC(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC001500434007 1112828603 /nfs/dbraw/zinc/82/86/03/1112828603.db2.gz RNXFIDCMYNFBMB-MRXNPFEDSA-N 2 2 330.476 2.240 10 30 EEEELP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)c2c(C)cc(C)[nH+]c2C)CCO1 ZINC001502066336 1113575521 /nfs/dbraw/zinc/57/55/21/1113575521.db2.gz GJQONEGUYORHHI-QGZVFWFLSA-N 2 2 331.460 2.404 10 30 EEEELP C=CCOCC[NH2+][C@@H]1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)[C@@H]1C ZINC001507278356 1115170633 /nfs/dbraw/zinc/17/06/33/1115170633.db2.gz NONVXLMREGZDGR-NVXWUHKLSA-N 2 2 342.443 2.038 10 30 EEEELP C=C(C)C[NH2+][C@H](CNC(=O)Cc1cn2cccc(C)c2[nH+]1)C(C)C ZINC001568466337 1124527746 /nfs/dbraw/zinc/52/77/46/1124527746.db2.gz XGALCRMUABSGHR-QGZVFWFLSA-N 2 2 328.460 2.492 10 30 EEEELP O=C(NCc1cn2c([nH+]1)CCCC2)N1CCC(C[NH+]2CCCC2)CC1 ZINC000328782026 539761154 /nfs/dbraw/zinc/76/11/54/539761154.db2.gz MZSCEFRPBDEDPH-UHFFFAOYSA-N 2 2 345.491 2.441 10 30 EEEELP N#Cc1csc(C[NH2+]Cc2ccccc2C[N@H+]2CCC[C@H]2CO)n1 ZINC000352842795 162308168 /nfs/dbraw/zinc/30/81/68/162308168.db2.gz VRUCSCDZDFGEPD-KRWDZBQOSA-N 2 2 342.468 2.261 10 30 EEEELP N#Cc1csc(C[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@H]2CO)n1 ZINC000352842795 162308169 /nfs/dbraw/zinc/30/81/69/162308169.db2.gz VRUCSCDZDFGEPD-KRWDZBQOSA-N 2 2 342.468 2.261 10 30 EEEELP N#Cc1ccccc1CSCC[NH2+][C@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000422985410 303206338 /nfs/dbraw/zinc/20/63/38/303206338.db2.gz DQVHWWIBQLVYTE-QZTJIDSGSA-N 2 2 331.485 2.148 10 30 EEEELP C=CCCC[N@@H+](C)CC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000121067090 463074487 /nfs/dbraw/zinc/07/44/87/463074487.db2.gz ZAVCRQOCPFNZBM-UHFFFAOYSA-N 2 2 345.487 2.033 10 30 EEEELP C=CCCC[N@H+](C)CC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000121067090 463074495 /nfs/dbraw/zinc/07/44/95/463074495.db2.gz ZAVCRQOCPFNZBM-UHFFFAOYSA-N 2 2 345.487 2.033 10 30 EEEELP C[N@H+](Cc1cc(C#N)ccc1F)C1CC[NH+](CCn2cccn2)CC1 ZINC000105863332 463480112 /nfs/dbraw/zinc/48/01/12/463480112.db2.gz DQQSOTPDNRXGMQ-UHFFFAOYSA-N 2 2 341.434 2.490 10 30 EEEELP C[N@@H+](Cc1cc(C#N)ccc1F)C1CC[NH+](CCn2cccn2)CC1 ZINC000105863332 463480115 /nfs/dbraw/zinc/48/01/15/463480115.db2.gz DQQSOTPDNRXGMQ-UHFFFAOYSA-N 2 2 341.434 2.490 10 30 EEEELP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)NCc1[nH+]ccn1CC(F)(F)F ZINC000330879719 465843584 /nfs/dbraw/zinc/84/35/84/465843584.db2.gz HSFIIYJPLKGLNQ-LBPRGKRZSA-N 2 2 347.385 2.131 10 30 EEEELP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)NCc1[nH+]ccn1CC(F)(F)F ZINC000330879719 465843589 /nfs/dbraw/zinc/84/35/89/465843589.db2.gz HSFIIYJPLKGLNQ-LBPRGKRZSA-N 2 2 347.385 2.131 10 30 EEEELP C=CC[NH+]1CCC(NC(=O)[C@H]2CCc3[nH+]c(C(C)C)[nH]c3C2)CC1 ZINC000364632906 466708317 /nfs/dbraw/zinc/70/83/17/466708317.db2.gz UYUQNMSVBKOJIT-AWEZNQCLSA-N 2 2 330.476 2.405 10 30 EEEELP C=CC[NH+]1CCC(NC(=O)[C@H]2CCc3[nH]c(C(C)C)[nH+]c3C2)CC1 ZINC000364632906 466708320 /nfs/dbraw/zinc/70/83/20/466708320.db2.gz UYUQNMSVBKOJIT-AWEZNQCLSA-N 2 2 330.476 2.405 10 30 EEEELP Cc1[nH+]c2ccccc2n1CCCNC(=O)[C@@H]([NH3+])CCCCC#N ZINC000594445500 468591112 /nfs/dbraw/zinc/59/11/12/468591112.db2.gz GOCNSVMKTIVFCA-HNNXBMFYSA-N 2 2 327.432 2.262 10 30 EEEELP CC[C@@H](C[NH2+]C[C@H](O)CC1(C#N)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000600715791 468631163 /nfs/dbraw/zinc/63/11/63/468631163.db2.gz CQCOPRWEWQWRFW-RBUKOAKNSA-N 2 2 327.472 2.468 10 30 EEEELP CC[C@@H](C[NH2+]C[C@H](O)CC1(C#N)CC1)[N@H+]1CCc2ccccc2C1 ZINC000600715791 468631165 /nfs/dbraw/zinc/63/11/65/468631165.db2.gz CQCOPRWEWQWRFW-RBUKOAKNSA-N 2 2 327.472 2.468 10 30 EEEELP Cc1[nH+]c2ccccc2n1CC[NH2+]C[C@@H](O)CC1(C#N)CCOCC1 ZINC000600716174 468631382 /nfs/dbraw/zinc/63/13/82/468631382.db2.gz WWSVVQCWVLSTHK-INIZCTEOSA-N 2 2 342.443 2.006 10 30 EEEELP C=CC[C@@H]1CC[N@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000625701814 470170544 /nfs/dbraw/zinc/17/05/44/470170544.db2.gz SUJNHJVSSCVANC-QGZVFWFLSA-N 2 2 328.460 2.018 10 30 EEEELP C=CC[C@@H]1CC[N@@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000625701814 470170545 /nfs/dbraw/zinc/17/05/45/470170545.db2.gz SUJNHJVSSCVANC-QGZVFWFLSA-N 2 2 328.460 2.018 10 30 EEEELP C=CC[NH+](CC=C)[C@@H](CNC(=O)[C@H]1CCc2[nH+]c[nH]c2C1)C(C)C ZINC000668682717 472224139 /nfs/dbraw/zinc/22/41/39/472224139.db2.gz MUMVRHDCSGRNGV-YJBOKZPZSA-N 2 2 330.476 2.329 10 30 EEEELP C=CC[NH+](CC=C)[C@@H](CNC(=O)[C@H]1CCc2[nH]c[nH+]c2C1)C(C)C ZINC000668682717 472224146 /nfs/dbraw/zinc/22/41/46/472224146.db2.gz MUMVRHDCSGRNGV-YJBOKZPZSA-N 2 2 330.476 2.329 10 30 EEEELP C=CCCC[N@@H+]1CCCC2(CN(C(=O)[C@H]3CCn4c[nH+]cc4C3)C2)C1 ZINC001485662749 1191882916 /nfs/dbraw/zinc/88/29/16/1191882916.db2.gz MCAVLXPMSOIPOB-KRWDZBQOSA-N 2 2 342.487 2.336 10 30 EEEELP C=CCCC[N@H+]1CCCC2(CN(C(=O)[C@H]3CCn4c[nH+]cc4C3)C2)C1 ZINC001485662749 1191882917 /nfs/dbraw/zinc/88/29/17/1191882917.db2.gz MCAVLXPMSOIPOB-KRWDZBQOSA-N 2 2 342.487 2.336 10 30 EEEELP C=CCCCCC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001266694910 1177216313 /nfs/dbraw/zinc/21/63/13/1177216313.db2.gz FGZLXKOQWKMNTN-YESZJQIVSA-N 2 2 330.476 2.429 10 30 EEEELP CC#CC[NH+]1CCC2(C[C@H](C)N(C(=O)CCCn3cc[nH+]c3)C2)CC1 ZINC001691276776 1177808561 /nfs/dbraw/zinc/80/85/61/1177808561.db2.gz CRTANDDAUAKTNG-SFHVURJKSA-N 2 2 342.487 2.390 10 30 EEEELP C=C(C)C[NH2+][C@@H](CNC(=O)[C@@H]1CCc2[nH+]ccn2C1)c1ccccc1 ZINC001481364771 1181130643 /nfs/dbraw/zinc/13/06/43/1181130643.db2.gz FYNKJCJSNCJSNB-MSOLQXFVSA-N 2 2 338.455 2.469 10 30 EEEELP CC#CC[N@H+]1CC[C@H](N(CCC)C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001481406090 1181231337 /nfs/dbraw/zinc/23/13/37/1181231337.db2.gz OYDOHYBTKZKEKE-HKUYNNGSSA-N 2 2 342.487 2.090 10 30 EEEELP CC#CC[N@@H+]1CC[C@H](N(CCC)C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001481406090 1181231346 /nfs/dbraw/zinc/23/13/46/1181231346.db2.gz OYDOHYBTKZKEKE-HKUYNNGSSA-N 2 2 342.487 2.090 10 30 EEEELP CC#CC[NH2+]C[C@H](NC(=O)[C@@H]1CCc2[nH+]ccn2C1)C1CCCCC1 ZINC001268121052 1181768436 /nfs/dbraw/zinc/76/84/36/1181768436.db2.gz YXJZUTZVZMAOLE-MSOLQXFVSA-N 2 2 342.487 2.124 10 30 EEEELP C[C@@H](CC[NH2+]CC#Cc1ccccc1)NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001268404702 1182514463 /nfs/dbraw/zinc/51/44/63/1182514463.db2.gz JRYWSHODQWFSTB-IRXDYDNUSA-N 2 2 338.455 2.124 10 30 EEEELP C[C@@H](CC[NH2+]CC#Cc1ccccc1)NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001268404702 1182514467 /nfs/dbraw/zinc/51/44/67/1182514467.db2.gz JRYWSHODQWFSTB-IRXDYDNUSA-N 2 2 338.455 2.124 10 30 EEEELP C#CC[NH2+]C[C@]1(NC(=O)Cc2cn3c([nH+]2)CCCC3)CCCC[C@@H]1C ZINC001481959101 1183038938 /nfs/dbraw/zinc/03/89/38/1183038938.db2.gz UITBJIDHESXYOY-OXJNMPFZSA-N 2 2 342.487 2.050 10 30 EEEELP CC#CC[N@H+](CC1CC1)C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001269621437 1184446221 /nfs/dbraw/zinc/44/62/21/1184446221.db2.gz BBPXCYFGUNXMMI-QZTJIDSGSA-N 2 2 340.471 2.240 10 30 EEEELP CC#CC[N@@H+](CC1CC1)C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001269621437 1184446225 /nfs/dbraw/zinc/44/62/25/1184446225.db2.gz BBPXCYFGUNXMMI-QZTJIDSGSA-N 2 2 340.471 2.240 10 30 EEEELP CC#CC[N@H+](CC1CC1)C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001269621437 1184446229 /nfs/dbraw/zinc/44/62/29/1184446229.db2.gz BBPXCYFGUNXMMI-QZTJIDSGSA-N 2 2 340.471 2.240 10 30 EEEELP CC#CC[N@@H+](CC1CC1)C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001269621437 1184446232 /nfs/dbraw/zinc/44/62/32/1184446232.db2.gz BBPXCYFGUNXMMI-QZTJIDSGSA-N 2 2 340.471 2.240 10 30 EEEELP C=CCC[NH2+]C[C@@H](NC(=O)[C@@H]1CCc2c[nH+]cn2C1)C1CCCC1 ZINC001270415280 1185089369 /nfs/dbraw/zinc/08/93/69/1185089369.db2.gz RYZPFOCMJGBIRB-SJLPKXTDSA-N 2 2 330.476 2.286 10 30 EEEELP C#CCC[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001482495059 1186396291 /nfs/dbraw/zinc/39/62/91/1186396291.db2.gz ZLYMCZWYJSACTO-WMZOPIPTSA-N 2 2 342.487 2.002 10 30 EEEELP C=CCC[N@@H+](C)CCC1CCN(C(=O)CCc2c[nH+]cn2C)CC1 ZINC001482508032 1186423287 /nfs/dbraw/zinc/42/32/87/1186423287.db2.gz LRBLVJRUFYGJNP-UHFFFAOYSA-N 2 2 332.492 2.489 10 30 EEEELP C=CCC[N@H+](C)CCC1CCN(C(=O)CCc2c[nH+]cn2C)CC1 ZINC001482508032 1186423289 /nfs/dbraw/zinc/42/32/89/1186423289.db2.gz LRBLVJRUFYGJNP-UHFFFAOYSA-N 2 2 332.492 2.489 10 30 EEEELP C=C(C)CC[NH2+][C@H]1CN(C(=O)[C@H]2CCn3cc[nH+]c3C2)CC1(C)C ZINC001486236215 1193762047 /nfs/dbraw/zinc/76/20/47/1193762047.db2.gz OGUNHVINWODRBW-HOTGVXAUSA-N 2 2 330.476 2.238 10 30 EEEELP CC#CC[NH+]1CCC([C@H](C)NC(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC001486447327 1193961733 /nfs/dbraw/zinc/96/17/33/1193961733.db2.gz WQQJJISUNHLYIT-INIZCTEOSA-N 2 2 330.476 2.167 10 30 EEEELP C=CCCC[NH2+]C1CC(N(C)C(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC001486474058 1193988168 /nfs/dbraw/zinc/98/81/68/1193988168.db2.gz PCRLGYTXCDUZGX-KVZIAJEVSA-N 2 2 349.519 2.175 10 30 EEEELP C=CCCC[NH2+]C1CC(N(C)C(=O)[C@@H]2COCC[N@H+]2C2CCCC2)C1 ZINC001486474058 1193988171 /nfs/dbraw/zinc/98/81/71/1193988171.db2.gz PCRLGYTXCDUZGX-KVZIAJEVSA-N 2 2 349.519 2.175 10 30 EEEELP O=C(C[NH+]1CCCC1)NC[C@H]1CCCC[N@@H+]1CC#Cc1ccccc1 ZINC001491236086 1258826101 /nfs/dbraw/zinc/82/61/01/1258826101.db2.gz IHFMZEHIGDSZKP-HXUWFJFHSA-N 2 2 339.483 2.105 10 30 EEEELP O=C(C[NH+]1CCCC1)NC[C@H]1CCCC[N@H+]1CC#Cc1ccccc1 ZINC001491236086 1258826106 /nfs/dbraw/zinc/82/61/06/1258826106.db2.gz IHFMZEHIGDSZKP-HXUWFJFHSA-N 2 2 339.483 2.105 10 30 EEEELP C=CCCC[NH+]1CCC(N(C)C(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC001265193707 1322978584 /nfs/dbraw/zinc/97/85/84/1322978584.db2.gz REVQFZKYMSMUKY-INIZCTEOSA-N 2 2 330.476 2.335 10 30 EEEELP C=CCCC[N@H+]1CCOC[C@@H]1CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001280405618 1324203360 /nfs/dbraw/zinc/20/33/60/1324203360.db2.gz CCMBIKCQZJSQAB-KRWDZBQOSA-N 2 2 337.508 2.034 10 30 EEEELP C=CCCC[N@@H+]1CCOC[C@@H]1CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001280405618 1324203361 /nfs/dbraw/zinc/20/33/61/1324203361.db2.gz CCMBIKCQZJSQAB-KRWDZBQOSA-N 2 2 337.508 2.034 10 30 EEEELP C=C(C)C[NH2+]CC1(NC(=O)Cc2cn3c([nH+]2)CCCC3)CCCC1 ZINC001318635500 1332571209 /nfs/dbraw/zinc/57/12/09/1332571209.db2.gz DXYXGKXAZJDVMN-UHFFFAOYSA-N 2 2 330.476 2.357 10 30 EEEELP C=C(C)C[NH2+]C1(CNC(=O)Cc2cn3c([nH+]2)CCCC3)CCCC1 ZINC001319353392 1332690064 /nfs/dbraw/zinc/69/00/64/1332690064.db2.gz JAZCLSYFIOJNLI-UHFFFAOYSA-N 2 2 330.476 2.357 10 30 EEEELP C#CCN(C(=O)[C@@H](CC(C)C)n1cc[nH+]c1)C1CC[NH+](CC#C)CC1 ZINC001324396468 1333674124 /nfs/dbraw/zinc/67/41/24/1333674124.db2.gz OWYPGPGTQQGHDB-LJQANCHMSA-N 2 2 340.471 2.030 10 30 EEEELP C=CC[N@@H+](CC)CC1CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC001328577571 1334482753 /nfs/dbraw/zinc/48/27/53/1334482753.db2.gz IDNFETIYBXVRDC-KRWDZBQOSA-N 2 2 330.476 2.192 10 30 EEEELP C=CC[N@H+](CC)CC1CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC001328577571 1334482757 /nfs/dbraw/zinc/48/27/57/1334482757.db2.gz IDNFETIYBXVRDC-KRWDZBQOSA-N 2 2 330.476 2.192 10 30 EEEELP C=C(C)CC[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001566896637 1342648259 /nfs/dbraw/zinc/64/82/59/1342648259.db2.gz HVOGSAHZZCJIIF-DLBZAZTESA-N 2 2 330.476 2.240 10 30 EEEELP C[C@@H](C(=O)NCC[N@H+](C)CC#Cc1ccccc1)[NH+]1CCCCCC1 ZINC001567307235 1342737390 /nfs/dbraw/zinc/73/73/90/1342737390.db2.gz SJKKBSNWMUBGRX-IBGZPJMESA-N 2 2 341.499 2.351 10 30 EEEELP C[C@@H](C(=O)NCC[N@@H+](C)CC#Cc1ccccc1)[NH+]1CCCCCC1 ZINC001567307235 1342737393 /nfs/dbraw/zinc/73/73/93/1342737393.db2.gz SJKKBSNWMUBGRX-IBGZPJMESA-N 2 2 341.499 2.351 10 30 EEEELP CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[NH+]1CCC(c2c[nH+]cn2C)CC1 ZINC001655123996 1354165698 /nfs/dbraw/zinc/16/56/98/1354165698.db2.gz ZRGLCBMFJNLSSW-KDOFPFPSSA-N 2 2 331.464 2.042 10 30 EEEELP C=CC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001656665471 1354261468 /nfs/dbraw/zinc/26/14/68/1354261468.db2.gz XQVFGDVULPYYGP-RTBURBONSA-N 2 2 338.455 2.434 10 30 EEEELP C=CC[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001656665471 1354261471 /nfs/dbraw/zinc/26/14/71/1354261471.db2.gz XQVFGDVULPYYGP-RTBURBONSA-N 2 2 338.455 2.434 10 30 EEEELP C=C(Br)C[N@H+](C)CCCNC(=O)CC[C@H]1CCC[NH+]1C ZINC001660174211 1354410258 /nfs/dbraw/zinc/41/02/58/1354410258.db2.gz NRUODQZFHQAQPZ-CQSZACIVSA-N 2 2 346.313 2.208 10 30 EEEELP C=C(Br)C[N@@H+](C)CCCNC(=O)CC[C@H]1CCC[NH+]1C ZINC001660174211 1354410260 /nfs/dbraw/zinc/41/02/60/1354410260.db2.gz NRUODQZFHQAQPZ-CQSZACIVSA-N 2 2 346.313 2.208 10 30 EEEELP C=C(Br)C[NH+](C)CCCNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001660174211 1354410262 /nfs/dbraw/zinc/41/02/62/1354410262.db2.gz NRUODQZFHQAQPZ-CQSZACIVSA-N 2 2 346.313 2.208 10 30 EEEELP C=C(Br)C[NH+](C)CCCNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001660174211 1354410264 /nfs/dbraw/zinc/41/02/64/1354410264.db2.gz NRUODQZFHQAQPZ-CQSZACIVSA-N 2 2 346.313 2.208 10 30 EEEELP C=C(C)C[N@@H+]1CCC[C@](C)(CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001671891542 1356432267 /nfs/dbraw/zinc/43/22/67/1356432267.db2.gz CLSMCQONWUZTSF-VQIMIIECSA-N 2 2 330.476 2.240 10 30 EEEELP C=C(C)C[N@H+]1CCC[C@](C)(CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001671891542 1356432269 /nfs/dbraw/zinc/43/22/69/1356432269.db2.gz CLSMCQONWUZTSF-VQIMIIECSA-N 2 2 330.476 2.240 10 30 EEEELP C[C@H](CN(C)C(=O)C[C@H](C)n1cc[nH+]c1)[NH2+]Cc1ccccc1C#N ZINC001448737222 1093808263 /nfs/dbraw/zinc/80/82/63/1093808263.db2.gz SBSRGFGRZCZZLA-CVEARBPZSA-N 2 2 339.443 2.343 10 30 EEEELP C[NH+](C)CC#CCNC(=O)N1CCC[C@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001471630661 1110526277 /nfs/dbraw/zinc/52/62/77/1110526277.db2.gz OIWQRCFJTOEUQA-INIZCTEOSA-N 2 2 345.491 2.092 10 30 EEEELP C=C(Br)C[NH+]1CCC(C)(NC(=O)C[N@H+](C)C(C)C)CC1 ZINC001500012810 1112579129 /nfs/dbraw/zinc/57/91/29/1112579129.db2.gz KSVXHPYFHHHMGW-UHFFFAOYSA-N 2 2 346.313 2.206 10 30 EEEELP C=C(C)C[N@@H+]1CCC[C@](C)(CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001500504856 1112896053 /nfs/dbraw/zinc/89/60/53/1112896053.db2.gz DGNLPLUOFTZHHM-VQIMIIECSA-N 2 2 330.476 2.240 10 30 EEEELP C=C(C)C[N@H+]1CCC[C@](C)(CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001500504856 1112896055 /nfs/dbraw/zinc/89/60/55/1112896055.db2.gz DGNLPLUOFTZHHM-VQIMIIECSA-N 2 2 330.476 2.240 10 30 EEEELP CC#CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001507012353 1115053672 /nfs/dbraw/zinc/05/36/72/1115053672.db2.gz SHRQFQBRLODIKE-ROUUACIJSA-N 2 2 330.476 2.320 10 30 EEEELP C=CCCC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001507014599 1115054910 /nfs/dbraw/zinc/05/49/10/1115054910.db2.gz GMEDHHKVPRFKDR-FUHWJXTLSA-N 2 2 330.476 2.238 10 30 EEEELP C=CCC[NH2+]CC[C@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001568394043 1124464732 /nfs/dbraw/zinc/46/47/32/1124464732.db2.gz YFZUFLBGTOTUQR-BRWVUGGUSA-N 2 2 330.476 2.461 10 30 EEEELP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+](Cc2ccc(C#N)c(F)c2)CC1 ZINC000192014636 160165489 /nfs/dbraw/zinc/16/54/89/160165489.db2.gz FTQCVQRZNQRFBC-GOSISDBHSA-N 2 2 330.451 2.299 10 30 EEEELP C[N@H+]1CCCC[C@@H]1CN1CC[NH+](Cc2ccc(C#N)c(F)c2)CC1 ZINC000192014636 160165490 /nfs/dbraw/zinc/16/54/90/160165490.db2.gz FTQCVQRZNQRFBC-GOSISDBHSA-N 2 2 330.451 2.299 10 30 EEEELP C[N@@H+]1CC[C@H](NC(=O)N2CCn3cc[nH+]c3C2)[C@H]1c1ccccc1 ZINC000328842227 465144025 /nfs/dbraw/zinc/14/40/25/465144025.db2.gz HZDXZOXHGBEKFH-DOTOQJQBSA-N 2 2 325.416 2.058 10 30 EEEELP C[N@H+]1CC[C@H](NC(=O)N2CCn3cc[nH+]c3C2)[C@H]1c1ccccc1 ZINC000328842227 465144028 /nfs/dbraw/zinc/14/40/28/465144028.db2.gz HZDXZOXHGBEKFH-DOTOQJQBSA-N 2 2 325.416 2.058 10 30 EEEELP Cc1nnc([C@H](C)[NH2+]CC#CC[NH2+][C@@H](C)c2nnc(C)s2)s1 ZINC000284242012 464122190 /nfs/dbraw/zinc/12/21/90/464122190.db2.gz VRUYUNHFLLQDTF-UWVGGRQHSA-N 2 2 336.490 2.011 10 30 EEEELP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](Cc2cnc3ccc(C#N)cn23)C1 ZINC000182089760 464569556 /nfs/dbraw/zinc/56/95/56/464569556.db2.gz RBZNDNSUVDWZGQ-HNNXBMFYSA-N 2 2 334.427 2.394 10 30 EEEELP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](Cc2cnc3ccc(C#N)cn23)C1 ZINC000182089760 464569561 /nfs/dbraw/zinc/56/95/61/464569561.db2.gz RBZNDNSUVDWZGQ-HNNXBMFYSA-N 2 2 334.427 2.394 10 30 EEEELP Cn1cc[nH+]c1[C@H](NC(=O)[C@@H]([NH3+])CCCCC#N)c1ccccc1F ZINC000594440511 468589635 /nfs/dbraw/zinc/58/96/35/468589635.db2.gz DQWKZUZKMUXLJB-JKSUJKDBSA-N 2 2 343.406 2.176 10 30 EEEELP C=CC[NH+]1CCC([NH2+]Cc2cc(C(=O)OC(C)(C)C)nn2C)CC1 ZINC000602541775 469354898 /nfs/dbraw/zinc/35/48/98/469354898.db2.gz ZRDCESBFACFYJA-UHFFFAOYSA-N 2 2 334.464 2.115 10 30 EEEELP C[C@@H]1COC2(CCC2)C[NH+]1CC#CC[N@H+]1CC2(CCC2)OC[C@H]1C ZINC000661470387 471768735 /nfs/dbraw/zinc/76/87/35/471768735.db2.gz SVBGGHMRTZHBEG-QZTJIDSGSA-N 2 2 332.488 2.277 10 30 EEEELP C[C@@H]1COC2(CCC2)C[NH+]1CC#CC[N@@H+]1CC2(CCC2)OC[C@H]1C ZINC000661470387 471768737 /nfs/dbraw/zinc/76/87/37/471768737.db2.gz SVBGGHMRTZHBEG-QZTJIDSGSA-N 2 2 332.488 2.277 10 30 EEEELP C=CCCC[NH+]1CCC[C@@H]1CNC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1 ZINC001691078885 1177537895 /nfs/dbraw/zinc/53/78/95/1177537895.db2.gz FFDHYCLERRUXFB-QAPCUYQASA-N 2 2 345.491 2.337 10 30 EEEELP C=CCCC[NH+]1CCC[C@@H]1CNC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1 ZINC001691078885 1177537900 /nfs/dbraw/zinc/53/79/00/1177537900.db2.gz FFDHYCLERRUXFB-QAPCUYQASA-N 2 2 345.491 2.337 10 30 EEEELP C=CCCC[N@H+]1CCC[C@@H]1CNC(=O)c1cc([C@@H]2CCC[NH+]2C)n[nH]1 ZINC001691078885 1177537908 /nfs/dbraw/zinc/53/79/08/1177537908.db2.gz FFDHYCLERRUXFB-QAPCUYQASA-N 2 2 345.491 2.337 10 30 EEEELP C=CCCC[N@@H+]1CCC[C@@H]1CNC(=O)c1cc([C@@H]2CCC[NH+]2C)n[nH]1 ZINC001691078885 1177537918 /nfs/dbraw/zinc/53/79/18/1177537918.db2.gz FFDHYCLERRUXFB-QAPCUYQASA-N 2 2 345.491 2.337 10 30 EEEELP C#CC[NH2+]CCc1ccc(CNC(=O)C(C)(C)n2c[nH+]c(C)c2)cc1 ZINC001267096551 1178229937 /nfs/dbraw/zinc/22/99/37/1178229937.db2.gz SUDZRCQGYLNZOY-UHFFFAOYSA-N 2 2 338.455 2.008 10 30 EEEELP C=C(C)C[NH2+]C[C@H]1CN(C(=O)Cn2cc[nH+]c2)CC[C@H]1C(F)(F)F ZINC001691445874 1178831092 /nfs/dbraw/zinc/83/10/92/1178831092.db2.gz MRIDMVWNSUCFRD-UONOGXRCSA-N 2 2 344.381 2.076 10 30 EEEELP CC#CC[N@H+]1CC[C@@H](N(CCC)C(=O)CCCn2cc[nH+]c2C)C1 ZINC001267488673 1179157220 /nfs/dbraw/zinc/15/72/20/1179157220.db2.gz NZMSIGNASZZNFR-GOSISDBHSA-N 2 2 330.476 2.308 10 30 EEEELP CC#CC[N@@H+]1CC[C@@H](N(CCC)C(=O)CCCn2cc[nH+]c2C)C1 ZINC001267488673 1179157222 /nfs/dbraw/zinc/15/72/22/1179157222.db2.gz NZMSIGNASZZNFR-GOSISDBHSA-N 2 2 330.476 2.308 10 30 EEEELP C=CCCC[N@@H+]1CC[C@H](CCNC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001267557874 1179357607 /nfs/dbraw/zinc/35/76/07/1179357607.db2.gz OBXVSXDCYHOHPG-IRXDYDNUSA-N 2 2 330.476 2.240 10 30 EEEELP C=CCCC[N@H+]1CC[C@H](CCNC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001267557874 1179357615 /nfs/dbraw/zinc/35/76/15/1179357615.db2.gz OBXVSXDCYHOHPG-IRXDYDNUSA-N 2 2 330.476 2.240 10 30 EEEELP C[C@@H](C[NH2+]CC#Cc1ccccc1Cl)NC(=O)CCn1cc[nH+]c1 ZINC001268698459 1183623266 /nfs/dbraw/zinc/62/32/66/1183623266.db2.gz QNAQJFJXLPMFOQ-HNNXBMFYSA-N 2 2 344.846 2.073 10 30 EEEELP CC#CC[NH2+]CC[C@@H]1CCCN(C(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001269737904 1184571052 /nfs/dbraw/zinc/57/10/52/1184571052.db2.gz NAGUXKCLJCMROV-KRWDZBQOSA-N 2 2 342.487 2.004 10 30 EEEELP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]([NH2+]C/C(Cl)=C/Cl)C(C)C ZINC001482535529 1186557271 /nfs/dbraw/zinc/55/72/71/1186557271.db2.gz ABPGRYVTXXXMPZ-XZVYODRBSA-N 2 2 346.302 2.133 10 30 EEEELP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]([NH2+]C/C(Cl)=C/Cl)C(C)C ZINC001482535529 1186557277 /nfs/dbraw/zinc/55/72/77/1186557277.db2.gz ABPGRYVTXXXMPZ-XZVYODRBSA-N 2 2 346.302 2.133 10 30 EEEELP C=CC[NH2+]Cc1nc2c(s1)CCN(C(=O)C[C@@H](C)n1cc[nH+]c1)C2 ZINC001691804949 1188283872 /nfs/dbraw/zinc/28/38/72/1188283872.db2.gz MABKEKGXOVPRHW-CYBMUJFWSA-N 2 2 345.472 2.151 10 30 EEEELP C=C(C)C[N@H+]1CCC[C@@](C)(CNC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001484164286 1191246289 /nfs/dbraw/zinc/24/62/89/1191246289.db2.gz UEGTUHXSAGKTLQ-SFHVURJKSA-N 2 2 334.464 2.144 10 30 EEEELP C=C(C)C[N@@H+]1CCC[C@@](C)(CNC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001484164286 1191246290 /nfs/dbraw/zinc/24/62/90/1191246290.db2.gz UEGTUHXSAGKTLQ-SFHVURJKSA-N 2 2 334.464 2.144 10 30 EEEELP C=CCC[C@@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O)[C@]1(C)CCCCO1 ZINC000903064656 1239650306 /nfs/dbraw/zinc/65/03/06/1239650306.db2.gz QBDZSWIEISZNLH-SCTDSRPQSA-N 2 2 337.508 2.210 10 30 EEEELP C=CCC[C@@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O)[C@]1(C)CCCCO1 ZINC000903064656 1239650313 /nfs/dbraw/zinc/65/03/13/1239650313.db2.gz QBDZSWIEISZNLH-SCTDSRPQSA-N 2 2 337.508 2.210 10 30 EEEELP C#CCN(C(=O)CC[NH+](C)C)C1CC[NH+](C/C(Cl)=C/Cl)CC1 ZINC001278177374 1306182771 /nfs/dbraw/zinc/18/27/71/1306182771.db2.gz PXRGYFWMXZFPES-OWBHPGMISA-N 2 2 346.302 2.183 10 30 EEEELP C=C(C)Cn1c([C@H]2CCC[NH+]2C)nnc1N1CC[N@H+](C)[C@@H](C(C)C)C1 ZINC001122441178 1310286683 /nfs/dbraw/zinc/28/66/83/1310286683.db2.gz QEOPZAZELIPBMJ-IAGOWNOFSA-N 2 2 346.523 2.397 10 30 EEEELP C=C(C)Cn1c([C@H]2CCC[NH+]2C)nnc1N1CC[N@@H+](C)[C@@H](C(C)C)C1 ZINC001122441178 1310286689 /nfs/dbraw/zinc/28/66/89/1310286689.db2.gz QEOPZAZELIPBMJ-IAGOWNOFSA-N 2 2 346.523 2.397 10 30 EEEELP C=C(C)Cn1c([C@H]2CCC[N@@H+]2C)nnc1N1CC[NH+](C)[C@@H](C(C)C)C1 ZINC001122441178 1310286690 /nfs/dbraw/zinc/28/66/90/1310286690.db2.gz QEOPZAZELIPBMJ-IAGOWNOFSA-N 2 2 346.523 2.397 10 30 EEEELP C=C(C)Cn1c([C@H]2CCC[N@H+]2C)nnc1N1CC[NH+](C)[C@@H](C(C)C)C1 ZINC001122441178 1310286696 /nfs/dbraw/zinc/28/66/96/1310286696.db2.gz QEOPZAZELIPBMJ-IAGOWNOFSA-N 2 2 346.523 2.397 10 30 EEEELP C=CCCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)[C@H]1CC ZINC001264056981 1322601137 /nfs/dbraw/zinc/60/11/37/1322601137.db2.gz JPVVTNDMKCWAKY-BPQIPLTHSA-N 2 2 330.476 2.381 10 30 EEEELP C=CCCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)[C@H]1CC ZINC001264056981 1322601144 /nfs/dbraw/zinc/60/11/44/1322601144.db2.gz JPVVTNDMKCWAKY-BPQIPLTHSA-N 2 2 330.476 2.381 10 30 EEEELP C=C(C)C[NH2+]C1(C)CCN(C(=O)Cc2cn3c([nH+]2)CCCC3)CC1 ZINC001281498897 1325175800 /nfs/dbraw/zinc/17/58/00/1325175800.db2.gz UXDNEAJUEMGVGT-UHFFFAOYSA-N 2 2 330.476 2.309 10 30 EEEELP C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1(C)C ZINC001284292337 1326491270 /nfs/dbraw/zinc/49/12/70/1326491270.db2.gz FOPMMBLVRUUWOW-NVXWUHKLSA-N 2 2 330.476 2.238 10 30 EEEELP C=CCCCCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001318205011 1332488304 /nfs/dbraw/zinc/48/83/04/1332488304.db2.gz XVYOWXCYOPICEF-SQNIBIBYSA-N 2 2 342.487 2.477 10 30 EEEELP C=CCCCCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001318205011 1332488305 /nfs/dbraw/zinc/48/83/05/1332488305.db2.gz XVYOWXCYOPICEF-SQNIBIBYSA-N 2 2 342.487 2.477 10 30 EEEELP CC[C@H](CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1)[NH2+]CC#Cc1ccccc1 ZINC001318582567 1332563456 /nfs/dbraw/zinc/56/34/56/1332563456.db2.gz KHANFOGXZJBTAQ-FUHWJXTLSA-N 2 2 338.455 2.124 10 30 EEEELP C=CCCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001325899169 1333988551 /nfs/dbraw/zinc/98/85/51/1333988551.db2.gz OGALREOSLKZHLE-NZSAHSFTSA-N 2 2 342.487 2.477 10 30 EEEELP C=CCCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001325899169 1333988552 /nfs/dbraw/zinc/98/85/52/1333988552.db2.gz OGALREOSLKZHLE-NZSAHSFTSA-N 2 2 342.487 2.477 10 30 EEEELP CC#CC[N@@H+]1CCC[C@@H](NC(=O)C[NH+](C)Cc2ccccc2)[C@@H]1C ZINC001332216326 1335769345 /nfs/dbraw/zinc/76/93/45/1335769345.db2.gz DRJCEGMOPUXBHL-PKOBYXMFSA-N 2 2 327.472 2.111 10 30 EEEELP CC#CC[N@H+]1CCC[C@@H](NC(=O)C[NH+](C)Cc2ccccc2)[C@@H]1C ZINC001332216326 1335769349 /nfs/dbraw/zinc/76/93/49/1335769349.db2.gz DRJCEGMOPUXBHL-PKOBYXMFSA-N 2 2 327.472 2.111 10 30 EEEELP CC#CC[NH+]1CCC[C@@H](NC(=O)C[N@H+](C)Cc2ccccc2)[C@@H]1C ZINC001332216326 1335769356 /nfs/dbraw/zinc/76/93/56/1335769356.db2.gz DRJCEGMOPUXBHL-PKOBYXMFSA-N 2 2 327.472 2.111 10 30 EEEELP CC#CC[NH+]1CCC[C@@H](NC(=O)C[N@@H+](C)Cc2ccccc2)[C@@H]1C ZINC001332216326 1335769358 /nfs/dbraw/zinc/76/93/58/1335769358.db2.gz DRJCEGMOPUXBHL-PKOBYXMFSA-N 2 2 327.472 2.111 10 30 EEEELP CC(=[NH+]NCCCn1cc[nH+]c1)c1ccc(N2CCOCC2)c(F)c1 ZINC000848417599 1338699734 /nfs/dbraw/zinc/69/97/34/1338699734.db2.gz BUXDPBWYWDSFPI-UHFFFAOYSA-N 2 2 345.422 2.263 10 30 EEEELP CC#CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001566689623 1342603205 /nfs/dbraw/zinc/60/32/05/1342603205.db2.gz QUNSXDPQKSDFCO-MSOLQXFVSA-N 2 2 342.487 2.464 10 30 EEEELP C=C(C)C[N@@H+]1C[C@H]2CN(C(=O)[C@H](CC(C)C)n3cc[nH+]c3)C[C@H]2C1 ZINC001569877415 1342966949 /nfs/dbraw/zinc/96/69/49/1342966949.db2.gz MDTBAGFAVXVQMX-KSZLIROESA-N 2 2 330.476 2.437 10 30 EEEELP C=C(C)C[N@H+]1C[C@H]2CN(C(=O)[C@H](CC(C)C)n3cc[nH+]c3)C[C@H]2C1 ZINC001569877415 1342966950 /nfs/dbraw/zinc/96/69/50/1342966950.db2.gz MDTBAGFAVXVQMX-KSZLIROESA-N 2 2 330.476 2.437 10 30 EEEELP COCC#CC[NH2+]C[C@@H]1CC[C@H](NC(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001676945130 1357247000 /nfs/dbraw/zinc/24/70/00/1357247000.db2.gz IAHQSZZQODWXGM-MSOLQXFVSA-N 2 2 343.471 2.145 10 30 EEEELP C=C(Br)C[N@H+](C)CCCNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001660139957 1354403081 /nfs/dbraw/zinc/40/30/81/1354403081.db2.gz WRAOUOXFBCTFFO-AWEZNQCLSA-N 2 2 346.313 2.206 10 30 EEEELP C=C(Br)C[NH+](C)CCCNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001660139957 1354403076 /nfs/dbraw/zinc/40/30/76/1354403076.db2.gz WRAOUOXFBCTFFO-AWEZNQCLSA-N 2 2 346.313 2.206 10 30 EEEELP C=C(Br)C[NH+](C)CCCNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001660139957 1354403078 /nfs/dbraw/zinc/40/30/78/1354403078.db2.gz WRAOUOXFBCTFFO-AWEZNQCLSA-N 2 2 346.313 2.206 10 30 EEEELP C=C(Br)C[N@@H+](C)CCCNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001660139957 1354403079 /nfs/dbraw/zinc/40/30/79/1354403079.db2.gz WRAOUOXFBCTFFO-AWEZNQCLSA-N 2 2 346.313 2.206 10 30 EEEELP C=CCC[C@H](C)[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001675759231 1357046822 /nfs/dbraw/zinc/04/68/22/1357046822.db2.gz FDDHGIVZZGVTQG-QAETUUGQSA-N 2 2 330.476 2.285 10 30 EEEELP C=C(C)C[N@@H+]1CCC[C@](C)(CNC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001699869931 1405535520 /nfs/dbraw/zinc/53/55/20/1405535520.db2.gz VXIQLQUKYXHNCF-VQIMIIECSA-N 2 2 330.476 2.240 10 30 EEEELP C=C(C)C[N@H+]1CCC[C@](C)(CNC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001699869931 1405535523 /nfs/dbraw/zinc/53/55/23/1405535523.db2.gz VXIQLQUKYXHNCF-VQIMIIECSA-N 2 2 330.476 2.240 10 30 EEEELP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](C/C=C/Cl)CC1(C)C ZINC000940811189 779354810 /nfs/dbraw/zinc/35/48/10/779354810.db2.gz BSTILCZKORATKA-VKFONMJVSA-N 2 2 337.895 2.053 10 30 EEEELP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](C/C=C/Cl)CC1(C)C ZINC000940811189 779354813 /nfs/dbraw/zinc/35/48/13/779354813.db2.gz BSTILCZKORATKA-VKFONMJVSA-N 2 2 337.895 2.053 10 30 EEEELP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](C/C=C/Cl)CC1(C)C ZINC000940811189 779354816 /nfs/dbraw/zinc/35/48/16/779354816.db2.gz BSTILCZKORATKA-VKFONMJVSA-N 2 2 337.895 2.053 10 30 EEEELP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](C/C=C/Cl)CC1(C)C ZINC000940811189 779354820 /nfs/dbraw/zinc/35/48/20/779354820.db2.gz BSTILCZKORATKA-VKFONMJVSA-N 2 2 337.895 2.053 10 30 EEEELP C#CC[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)CCCn1cc[nH+]c1 ZINC001565987709 1125483813 /nfs/dbraw/zinc/48/38/13/1125483813.db2.gz AHMZNFYSZIUOHL-QZTJIDSGSA-N 2 2 330.476 2.293 10 30 EEEELP CC[C@H](C(=O)N(C)[C@H]1CC[N@H+](Cc2cc(C#N)ccc2F)C1)[NH+](C)C ZINC001438251865 1090734093 /nfs/dbraw/zinc/73/40/93/1090734093.db2.gz ZRVUVLQOYRMXGL-FUHWJXTLSA-N 2 2 346.450 2.070 10 30 EEEELP CC[C@H](C(=O)N(C)[C@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)C1)[NH+](C)C ZINC001438251865 1090734098 /nfs/dbraw/zinc/73/40/98/1090734098.db2.gz ZRVUVLQOYRMXGL-FUHWJXTLSA-N 2 2 346.450 2.070 10 30 EEEELP C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)[C@@H](F)C[NH+](CC)CC ZINC001480317293 1100051597 /nfs/dbraw/zinc/05/15/97/1100051597.db2.gz BBLYMWBAPKHTOA-GJZGRUSLSA-N 2 2 333.879 2.390 10 30 EEEELP C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H](F)C[NH+](CC)CC ZINC001480317293 1100051603 /nfs/dbraw/zinc/05/16/03/1100051603.db2.gz BBLYMWBAPKHTOA-GJZGRUSLSA-N 2 2 333.879 2.390 10 30 EEEELP C=C(Cl)C[NH+]1CC2(C1)CCN(C(=O)CCCC[NH+](C)C)CC2 ZINC001495987134 1101899296 /nfs/dbraw/zinc/89/92/96/1101899296.db2.gz OHZLDFQBIADLOE-UHFFFAOYSA-N 2 2 327.900 2.395 10 30 EEEELP C=CCOCC[N@H+]1CCC[C@@H](NC(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001502138293 1113612335 /nfs/dbraw/zinc/61/23/35/1113612335.db2.gz RQIUIKYGQWVAEB-DLBZAZTESA-N 2 2 334.464 2.008 10 30 EEEELP C=CCOCC[N@@H+]1CCC[C@@H](NC(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001502138293 1113612336 /nfs/dbraw/zinc/61/23/36/1113612336.db2.gz RQIUIKYGQWVAEB-DLBZAZTESA-N 2 2 334.464 2.008 10 30 EEEELP CC#CC[NH2+]C[C@@H]1CC[C@H](NC(=O)Cc2cn3cccc(C)c3[nH+]2)C1 ZINC001507414184 1115257710 /nfs/dbraw/zinc/25/77/10/1115257710.db2.gz IFDDFFIEBHSPIN-SJORKVTESA-N 2 2 338.455 2.083 10 30 EEEELP C=CCC[NH2+]C[C@@](C)(NC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1)C1CC1 ZINC001568022092 1124235088 /nfs/dbraw/zinc/23/50/88/1124235088.db2.gz QMWBEXJTAJUQQO-PKOBYXMFSA-N 2 2 345.491 2.241 10 30 EEEELP C=CCC[NH2+]C[C@@](C)(NC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1)C1CC1 ZINC001568022092 1124235093 /nfs/dbraw/zinc/23/50/93/1124235093.db2.gz QMWBEXJTAJUQQO-PKOBYXMFSA-N 2 2 345.491 2.241 10 30 EEEELP C[C@H](C[NH2+]CC#Cc1ccccc1Cl)N(C)C(=O)Cn1cc[nH+]c1 ZINC001568322126 1124419860 /nfs/dbraw/zinc/41/98/60/1124419860.db2.gz IZOSASXKHCVULM-OAHLLOKOSA-N 2 2 344.846 2.025 10 30 EEEELP C=C(C)CC[NH2+][C@H](CNC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1)C(C)C ZINC001568451437 1124518850 /nfs/dbraw/zinc/51/88/50/1124518850.db2.gz OOQCBTDUKRUDIQ-MSOLQXFVSA-N 2 2 347.507 2.487 10 30 EEEELP C=C(C)CC[NH2+][C@H](CNC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1)C(C)C ZINC001568451437 1124518856 /nfs/dbraw/zinc/51/88/56/1124518856.db2.gz OOQCBTDUKRUDIQ-MSOLQXFVSA-N 2 2 347.507 2.487 10 30 EEEELP C[C@H](CC[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)[S@](C)=O ZINC000344298911 161215586 /nfs/dbraw/zinc/21/55/86/161215586.db2.gz DOMAQGLXXLRMIX-CMJOXMDJSA-N 2 2 333.501 2.269 10 30 EEEELP C=CCNC(=O)C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000248165489 464735474 /nfs/dbraw/zinc/73/54/74/464735474.db2.gz SXGXAHCMHAUQRT-OALUTQOASA-N 2 2 327.472 2.275 10 30 EEEELP C=CCNC(=O)C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000248165489 464735477 /nfs/dbraw/zinc/73/54/77/464735477.db2.gz SXGXAHCMHAUQRT-OALUTQOASA-N 2 2 327.472 2.275 10 30 EEEELP C=CCNC(=O)C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000248165489 464735480 /nfs/dbraw/zinc/73/54/80/464735480.db2.gz SXGXAHCMHAUQRT-OALUTQOASA-N 2 2 327.472 2.275 10 30 EEEELP C=CCNC(=O)C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000248165489 464735484 /nfs/dbraw/zinc/73/54/84/464735484.db2.gz SXGXAHCMHAUQRT-OALUTQOASA-N 2 2 327.472 2.275 10 30 EEEELP C[NH+]1CCN([C@H]2CCCC[N@H+](CC#Cc3ccc(F)cc3)C2)CC1 ZINC000182903580 464754045 /nfs/dbraw/zinc/75/40/45/464754045.db2.gz LZKAYLDOCUCMCH-FQEVSTJZSA-N 2 2 329.463 2.279 10 30 EEEELP C[NH+]1CCN([C@H]2CCCC[N@@H+](CC#Cc3ccc(F)cc3)C2)CC1 ZINC000182903580 464754049 /nfs/dbraw/zinc/75/40/49/464754049.db2.gz LZKAYLDOCUCMCH-FQEVSTJZSA-N 2 2 329.463 2.279 10 30 EEEELP COc1ccc(C[NH2+][C@H]2CCO[C@@H](c3c[nH+]cn3C)C2)cc1C#N ZINC000275662342 464784308 /nfs/dbraw/zinc/78/43/08/464784308.db2.gz VCZMXUSLXVAMHR-MAUKXSAKSA-N 2 2 326.400 2.310 10 30 EEEELP C=CCNC(=O)C[NH+]1CCN(c2c(C)c[nH+]c3c(C)cccc32)CC1 ZINC000360597032 465583183 /nfs/dbraw/zinc/58/31/83/465583183.db2.gz KRHWIFWAKIUDQR-UHFFFAOYSA-N 2 2 338.455 2.276 10 30 EEEELP Cn1cc[nH+]c1[C@@H](NC(=O)[C@@H]([NH3+])CCCCC#N)c1cccc(F)c1 ZINC000594440690 468589346 /nfs/dbraw/zinc/58/93/46/468589346.db2.gz HTXZULHILJNDMB-HOTGVXAUSA-N 2 2 343.406 2.176 10 30 EEEELP C=CC[NH+]1CCC(NC(=O)[C@H]2CC[N@H+]2Cc2ccc(OC)cc2)CC1 ZINC000635530476 470637723 /nfs/dbraw/zinc/63/77/23/470637723.db2.gz CTPJAHORNVPVPF-LJQANCHMSA-N 2 2 343.471 2.036 10 30 EEEELP C=CC[NH+]1CCC(NC(=O)[C@H]2CC[N@@H+]2Cc2ccc(OC)cc2)CC1 ZINC000635530476 470637728 /nfs/dbraw/zinc/63/77/28/470637728.db2.gz CTPJAHORNVPVPF-LJQANCHMSA-N 2 2 343.471 2.036 10 30 EEEELP C=CCC[NH2+]C[C@H](NC(=O)Cc1cn2cccc(C)c2[nH+]1)C1CC1 ZINC001670534349 1176871337 /nfs/dbraw/zinc/87/13/37/1176871337.db2.gz VREFSRSDYMCZRR-KRWDZBQOSA-N 2 2 326.444 2.246 10 30 EEEELP CC#CC[NH2+]C[C@H]1CCCCN1C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001266874177 1177679204 /nfs/dbraw/zinc/67/92/04/1177679204.db2.gz GTMXHEIJQUSTOS-LJQANCHMSA-N 2 2 336.439 2.480 10 30 EEEELP C=CCC[NH2+][C@@H](CNC(=O)[C@@H]1CCn2c[nH+]cc2C1)c1ccccc1 ZINC001267519350 1179245322 /nfs/dbraw/zinc/24/53/22/1179245322.db2.gz DOSPPZDTOXCPER-MJGOQNOKSA-N 2 2 338.455 2.469 10 30 EEEELP C=CCC[NH2+][C@@H](CNC(=O)[C@H]1CCn2cc[nH+]c2C1)c1ccccc1 ZINC001267520084 1179247583 /nfs/dbraw/zinc/24/75/83/1179247583.db2.gz IXYXXEUQWWFHLX-ROUUACIJSA-N 2 2 338.455 2.469 10 30 EEEELP C=CC[NH2+]CC[C@@H]1CCCN(C(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC001269759568 1184596129 /nfs/dbraw/zinc/59/61/29/1184596129.db2.gz DPVPEMLCAWLKGT-HKUYNNGSSA-N 2 2 349.519 2.034 10 30 EEEELP C=CC[NH2+]CC[C@@H]1CCCN(C(=O)[C@@H]2COCC[N@H+]2C2CCCC2)C1 ZINC001269759568 1184596131 /nfs/dbraw/zinc/59/61/31/1184596131.db2.gz DPVPEMLCAWLKGT-HKUYNNGSSA-N 2 2 349.519 2.034 10 30 EEEELP C=CCCC[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001270744654 1185362184 /nfs/dbraw/zinc/36/21/84/1185362184.db2.gz NRHFJIGCURYECS-VQIMIIECSA-N 2 2 330.476 2.240 10 30 EEEELP C=CCC[C@@H](C)[N@H+]1C[C@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C[C@H]2C1 ZINC001271879722 1186574841 /nfs/dbraw/zinc/57/48/41/1186574841.db2.gz BCWMXZRNLLKEDL-UYTYNIKBSA-N 2 2 342.487 2.269 10 30 EEEELP C=CCC[C@@H](C)[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C[C@H]2C1 ZINC001271879722 1186574845 /nfs/dbraw/zinc/57/48/45/1186574845.db2.gz BCWMXZRNLLKEDL-UYTYNIKBSA-N 2 2 342.487 2.269 10 30 EEEELP C=C(C)CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001691602293 1188302778 /nfs/dbraw/zinc/30/27/78/1188302778.db2.gz YFJMXPZEGXAFDW-YESZJQIVSA-N 2 2 330.476 2.286 10 30 EEEELP C[C@H](CC(=O)N(C)CCC[NH2+]Cc1ccc(C#N)cc1)n1cc[nH+]c1 ZINC001483494541 1190511193 /nfs/dbraw/zinc/51/11/93/1190511193.db2.gz OGBKWCWEGOERKV-MRXNPFEDSA-N 2 2 339.443 2.344 10 30 EEEELP C#CCC[N@@H+](CC)CC1CCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001274960834 1205218016 /nfs/dbraw/zinc/21/80/16/1205218016.db2.gz UGFPJVFABVTOSK-INIZCTEOSA-N 2 2 330.476 2.172 10 30 EEEELP C#CCC[N@H+](CC)CC1CCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001274960834 1205218018 /nfs/dbraw/zinc/21/80/18/1205218018.db2.gz UGFPJVFABVTOSK-INIZCTEOSA-N 2 2 330.476 2.172 10 30 EEEELP C#CCC[N@@H+](CC)CC1CCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001274960834 1205218021 /nfs/dbraw/zinc/21/80/21/1205218021.db2.gz UGFPJVFABVTOSK-INIZCTEOSA-N 2 2 330.476 2.172 10 30 EEEELP C#CCC[N@H+](CC)CC1CCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001274960834 1205218024 /nfs/dbraw/zinc/21/80/24/1205218024.db2.gz UGFPJVFABVTOSK-INIZCTEOSA-N 2 2 330.476 2.172 10 30 EEEELP C#CC[N@H+]1CCC[C@H](C2CCN(C(=O)CCCn3cc[nH+]c3)CC2)C1 ZINC001275189806 1205277967 /nfs/dbraw/zinc/27/79/67/1205277967.db2.gz AKTCTCBGVQLWDX-IBGZPJMESA-N 2 2 342.487 2.247 10 30 EEEELP C#CC[N@@H+]1CCC[C@H](C2CCN(C(=O)CCCn3cc[nH+]c3)CC2)C1 ZINC001275189806 1205277968 /nfs/dbraw/zinc/27/79/68/1205277968.db2.gz AKTCTCBGVQLWDX-IBGZPJMESA-N 2 2 342.487 2.247 10 30 EEEELP C=C(C)CC[NH2+]CC1CC(NC(=O)[C@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC001275278403 1205296892 /nfs/dbraw/zinc/29/68/92/1205296892.db2.gz CBSHQRVQCLKLKZ-FAFZWHIHSA-N 2 2 349.519 2.080 10 30 EEEELP C=C(C)CC[NH2+]CC1CC(NC(=O)[C@H]2COCC[N@H+]2C2CCCC2)C1 ZINC001275278403 1205296894 /nfs/dbraw/zinc/29/68/94/1205296894.db2.gz CBSHQRVQCLKLKZ-FAFZWHIHSA-N 2 2 349.519 2.080 10 30 EEEELP COCC#CC[N@H+](CCCNC(=O)c1cc2c[nH+]ccc2[nH]1)C(C)C ZINC001691735865 1210528687 /nfs/dbraw/zinc/52/86/87/1210528687.db2.gz AWNZLFBOGFEVMF-UHFFFAOYSA-N 2 2 342.443 2.043 10 30 EEEELP COCC#CC[N@@H+](CCCNC(=O)c1cc2c[nH+]ccc2[nH]1)C(C)C ZINC001691735865 1210528689 /nfs/dbraw/zinc/52/86/89/1210528689.db2.gz AWNZLFBOGFEVMF-UHFFFAOYSA-N 2 2 342.443 2.043 10 30 EEEELP C=C(CC[NH+](C)C)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000901275230 1235466003 /nfs/dbraw/zinc/46/60/03/1235466003.db2.gz YAARRGXQBFNBTR-DLBZAZTESA-N 2 2 337.414 2.334 10 30 EEEELP C=C(CC[NH+](C)C)C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000901275230 1235466005 /nfs/dbraw/zinc/46/60/05/1235466005.db2.gz YAARRGXQBFNBTR-DLBZAZTESA-N 2 2 337.414 2.334 10 30 EEEELP C=C(C)C[NH2+]C[C@H]1CC[C@@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001278566075 1317247603 /nfs/dbraw/zinc/24/76/03/1317247603.db2.gz SPCNOASQLNOOJV-JKSUJKDBSA-N 2 2 330.476 2.213 10 30 EEEELP C=CCC[NH2+][C@@H]1CN(C(=O)[C@H]2COCC[N@@H+]2C2CCCC2)CC1(C)C ZINC001278661605 1317587281 /nfs/dbraw/zinc/58/72/81/1317587281.db2.gz JIBSYIQMGCJOGN-QZTJIDSGSA-N 2 2 349.519 2.033 10 30 EEEELP C=CCC[NH2+][C@@H]1CN(C(=O)[C@H]2COCC[N@H+]2C2CCCC2)CC1(C)C ZINC001278661605 1317587285 /nfs/dbraw/zinc/58/72/85/1317587285.db2.gz JIBSYIQMGCJOGN-QZTJIDSGSA-N 2 2 349.519 2.033 10 30 EEEELP C=C(C)Cn1c([C@@H]2CCC[NH+]2C)nnc1N1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC001263301864 1322456153 /nfs/dbraw/zinc/45/61/53/1322456153.db2.gz ZQEZVURPMAMWGH-BBWFWOEESA-N 2 2 344.507 2.151 10 30 EEEELP C=C(C)Cn1c([C@@H]2CCC[NH+]2C)nnc1N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC001263301864 1322456155 /nfs/dbraw/zinc/45/61/55/1322456155.db2.gz ZQEZVURPMAMWGH-BBWFWOEESA-N 2 2 344.507 2.151 10 30 EEEELP C=C(C)Cn1c([C@@H]2CCC[N@@H+]2C)nnc1N1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC001263301864 1322456157 /nfs/dbraw/zinc/45/61/57/1322456157.db2.gz ZQEZVURPMAMWGH-BBWFWOEESA-N 2 2 344.507 2.151 10 30 EEEELP C=C(C)Cn1c([C@@H]2CCC[N@H+]2C)nnc1N1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC001263301864 1322456158 /nfs/dbraw/zinc/45/61/58/1322456158.db2.gz ZQEZVURPMAMWGH-BBWFWOEESA-N 2 2 344.507 2.151 10 30 EEEELP C=CCCC[NH2+]C[C@H]1CCCCN1C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001265675390 1323314417 /nfs/dbraw/zinc/31/44/17/1323314417.db2.gz HDYRFHQUNVOFCL-DLBZAZTESA-N 2 2 330.476 2.382 10 30 EEEELP C=C(C)CC[NH2+][C@@H](C)CCNC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC001317403978 1332215991 /nfs/dbraw/zinc/21/59/91/1332215991.db2.gz JGGHWFVJCAEQDQ-WMZOPIPTSA-N 2 2 337.508 2.080 10 30 EEEELP C=C(C)CC[NH2+][C@@H](C)CCNC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC001317403978 1332215994 /nfs/dbraw/zinc/21/59/94/1332215994.db2.gz JGGHWFVJCAEQDQ-WMZOPIPTSA-N 2 2 337.508 2.080 10 30 EEEELP C=CCC[N@H+]1CC[C@@H](N(CCC)C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001317762277 1332400779 /nfs/dbraw/zinc/40/07/79/1332400779.db2.gz WDQMBDQKEPDJNT-DLBZAZTESA-N 2 2 330.476 2.335 10 30 EEEELP C=CCC[N@@H+]1CC[C@@H](N(CCC)C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001317762277 1332400781 /nfs/dbraw/zinc/40/07/81/1332400781.db2.gz WDQMBDQKEPDJNT-DLBZAZTESA-N 2 2 330.476 2.335 10 30 EEEELP C#CCN(C(=O)C[C@H](C)n1cc[nH+]c1)C1CC[NH+](CC2CC2)CC1 ZINC001324426411 1333680083 /nfs/dbraw/zinc/68/00/83/1333680083.db2.gz IXAVVRSKAAGQEV-INIZCTEOSA-N 2 2 328.460 2.170 10 30 EEEELP C=CCCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001325899174 1333989076 /nfs/dbraw/zinc/98/90/76/1333989076.db2.gz OGALREOSLKZHLE-YTQUADARSA-N 2 2 342.487 2.477 10 30 EEEELP C=CCCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001325899174 1333989079 /nfs/dbraw/zinc/98/90/79/1333989079.db2.gz OGALREOSLKZHLE-YTQUADARSA-N 2 2 342.487 2.477 10 30 EEEELP C=CCCC[NH2+]C1CC(N(C)C(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001333071706 1335957727 /nfs/dbraw/zinc/95/77/27/1335957727.db2.gz ZQCZDQJAPQUMKC-UHFFFAOYSA-N 2 2 330.476 2.307 10 30 EEEELP C=C(C)Cn1c(C[NH+]2CCCC2)nnc1N1CC[NH+](CC(C)C)CC1 ZINC001341749636 1337297418 /nfs/dbraw/zinc/29/74/18/1337297418.db2.gz IVSQBCWLSUQPKR-UHFFFAOYSA-N 2 2 346.523 2.228 10 30 EEEELP CC(=[NH+]NCCCn1cc[nH+]c1)c1cccc(N2CCOCC2)c1 ZINC000848417537 1338700110 /nfs/dbraw/zinc/70/01/10/1338700110.db2.gz BLYDPRZDOXBRIO-UHFFFAOYSA-N 2 2 327.432 2.124 10 30 EEEELP C=C(C)Cn1c(C[NH+]2CCCC2)nnc1N1C[C@@H](C)[N@H+](CC)C[C@@H]1C ZINC001355966775 1338775958 /nfs/dbraw/zinc/77/59/58/1338775958.db2.gz BLKAJZCQTCISDH-SJORKVTESA-N 2 2 346.523 2.369 10 30 EEEELP C=C(C)Cn1c(C[NH+]2CCCC2)nnc1N1C[C@@H](C)[N@@H+](CC)C[C@@H]1C ZINC001355966775 1338775960 /nfs/dbraw/zinc/77/59/60/1338775960.db2.gz BLKAJZCQTCISDH-SJORKVTESA-N 2 2 346.523 2.369 10 30 EEEELP C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)CC[N@@H+](C)C1CCCCC1)O2 ZINC001570234677 1343038737 /nfs/dbraw/zinc/03/87/37/1343038737.db2.gz XLJJOXPHHAMJAZ-GOSISDBHSA-N 2 2 349.519 2.177 10 30 EEEELP C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)CC[N@H+](C)C1CCCCC1)O2 ZINC001570234677 1343038742 /nfs/dbraw/zinc/03/87/42/1343038742.db2.gz XLJJOXPHHAMJAZ-GOSISDBHSA-N 2 2 349.519 2.177 10 30 EEEELP C=C(C)CC[NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001649463563 1353519054 /nfs/dbraw/zinc/51/90/54/1353519054.db2.gz UFFXQPZAPIZNTJ-IRXDYDNUSA-N 2 2 330.476 2.382 10 30 EEEELP Cc1c[nH+]c2cc(C(=O)N(C)CC[NH2+]Cc3ccccc3C#N)ccn12 ZINC001663931338 1355056633 /nfs/dbraw/zinc/05/66/33/1355056633.db2.gz IWCHECLDOKDPJH-UHFFFAOYSA-N 2 2 347.422 2.376 10 30 EEEELP CC#CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001664817331 1355234718 /nfs/dbraw/zinc/23/47/18/1355234718.db2.gz FXDLYHXXAJNBAD-ZWKOTPCHSA-N 2 2 330.476 2.274 10 30 EEEELP CC#CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001664817331 1355234722 /nfs/dbraw/zinc/23/47/22/1355234722.db2.gz FXDLYHXXAJNBAD-ZWKOTPCHSA-N 2 2 330.476 2.274 10 30 EEEELP C=CCC[NH2+]CC[C@@H]1CCCCN1C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001667268711 1355694601 /nfs/dbraw/zinc/69/46/01/1355694601.db2.gz ZQCGRQBKLPSVGG-SJORKVTESA-N 2 2 330.476 2.382 10 30 EEEELP C=C(Cl)C[NH2+]CC[C@H]1CCCCN1C(=O)CCc1[nH+]ccn1C ZINC001667272856 1355695172 /nfs/dbraw/zinc/69/51/72/1355695172.db2.gz JKXSDAWVOIKMGM-OAHLLOKOSA-N 2 2 338.883 2.466 10 30 EEEELP CN(CC[N@H+](C)CC#Cc1ccccc1)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001667608108 1355768801 /nfs/dbraw/zinc/76/88/01/1355768801.db2.gz SLIMNMKQWXKVNP-UHFFFAOYSA-N 2 2 341.499 2.303 10 30 EEEELP CN(CC[N@@H+](C)CC#Cc1ccccc1)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001667608108 1355768806 /nfs/dbraw/zinc/76/88/06/1355768806.db2.gz SLIMNMKQWXKVNP-UHFFFAOYSA-N 2 2 341.499 2.303 10 30 EEEELP C=C(Cl)C[NH2+]CC[C@@H]1CCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001672816057 1356591175 /nfs/dbraw/zinc/59/11/75/1356591175.db2.gz MFLNOBZFRLJLDP-CABCVRRESA-N 2 2 336.867 2.026 10 30 EEEELP C=C(C)C[NH2+]CC1(NC(=O)[C@@H]2CCc3[nH+]ccn3C2)CCCCC1 ZINC001675192528 1356944115 /nfs/dbraw/zinc/94/41/15/1356944115.db2.gz WZNVVDAAFWLJFA-MRXNPFEDSA-N 2 2 330.476 2.430 10 30 EEEELP C=CCCC[NH2+][C@H](C)[C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)CCO1 ZINC001675597582 1357011203 /nfs/dbraw/zinc/01/12/03/1357011203.db2.gz BSPSIOLVXOQTOV-KDOFPFPSSA-N 2 2 342.443 2.348 10 30 EEEELP C=C1CCC(CNC(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000918907209 769468219 /nfs/dbraw/zinc/46/82/19/769468219.db2.gz WLQNVIYXIUCYIW-QGZVFWFLSA-N 2 2 334.508 2.201 10 30 EEEELP C=C1CCC(CNC(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000918907209 769468222 /nfs/dbraw/zinc/46/82/22/769468222.db2.gz WLQNVIYXIUCYIW-QGZVFWFLSA-N 2 2 334.508 2.201 10 30 EEEELP C#CCC[N@H+]1CC[C@@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C(C)(C)C1 ZINC000940837148 779386631 /nfs/dbraw/zinc/38/66/31/779386631.db2.gz QKUYOOOAJFVGIW-MRXNPFEDSA-N 2 2 330.476 2.167 10 30 EEEELP C#CCC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C(C)(C)C1 ZINC000940837148 779386634 /nfs/dbraw/zinc/38/66/34/779386634.db2.gz QKUYOOOAJFVGIW-MRXNPFEDSA-N 2 2 330.476 2.167 10 30 EEEELP C=CCc1ccc(OC[C@@H](O)C[NH2+][C@@H]2CC[NH2+]C23CCC3)c(OC)c1 ZINC000923397134 789492494 /nfs/dbraw/zinc/49/24/94/789492494.db2.gz AGVFBGKRCSMECS-QFBILLFUSA-N 2 2 346.471 2.038 10 30 EEEELP CC#CC[N@@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)CCCn1cc[nH+]c1 ZINC001565995048 1125492182 /nfs/dbraw/zinc/49/21/82/1125492182.db2.gz NRHTXAIANWFYCO-NZSAHSFTSA-N 2 2 342.487 2.292 10 30 EEEELP CC#CC[N@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)CCCn1cc[nH+]c1 ZINC001565995048 1125492183 /nfs/dbraw/zinc/49/21/83/1125492183.db2.gz NRHTXAIANWFYCO-NZSAHSFTSA-N 2 2 342.487 2.292 10 30 EEEELP C=CCC[N@@H+](CCO)[C@H]1CCCN(C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001566034777 1125512031 /nfs/dbraw/zinc/51/20/31/1125512031.db2.gz XZIDUGVMEPCIDG-SFHVURJKSA-N 2 2 345.487 2.482 10 30 EEEELP C=CCC[N@H+](CCO)[C@H]1CCCN(C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001566034777 1125512037 /nfs/dbraw/zinc/51/20/37/1125512037.db2.gz XZIDUGVMEPCIDG-SFHVURJKSA-N 2 2 345.487 2.482 10 30 EEEELP C[N@H+](CCNC(=O)[C@@H]1CC[C@@H]2CCCC[NH+]21)Cc1ccc(C#N)s1 ZINC001437479747 1089828738 /nfs/dbraw/zinc/82/87/38/1089828738.db2.gz ARTIFXPMIVPGEV-YOEHRIQHSA-N 2 2 346.500 2.185 10 30 EEEELP C[N@@H+](CCNC(=O)[C@@H]1CC[C@@H]2CCCC[NH+]21)Cc1ccc(C#N)s1 ZINC001437479747 1089828755 /nfs/dbraw/zinc/82/87/55/1089828755.db2.gz ARTIFXPMIVPGEV-YOEHRIQHSA-N 2 2 346.500 2.185 10 30 EEEELP C[NH+](CCNC(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21)Cc1ccc(C#N)s1 ZINC001437479747 1089828775 /nfs/dbraw/zinc/82/87/75/1089828775.db2.gz ARTIFXPMIVPGEV-YOEHRIQHSA-N 2 2 346.500 2.185 10 30 EEEELP C[NH+](CCNC(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21)Cc1ccc(C#N)s1 ZINC001437479747 1089828794 /nfs/dbraw/zinc/82/87/94/1089828794.db2.gz ARTIFXPMIVPGEV-YOEHRIQHSA-N 2 2 346.500 2.185 10 30 EEEELP C=C(Cl)C[NH2+]C[C@H]1CCCCN1C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001440274972 1093390890 /nfs/dbraw/zinc/39/08/90/1093390890.db2.gz TWYHQAQGFRWZKF-LSDHHAIUSA-N 2 2 336.867 2.169 10 30 EEEELP CC#CC[NH2+][C@@H](CNC(=O)Cn1cc[nH+]c1C(C)C)c1ccccc1 ZINC001493899199 1103077438 /nfs/dbraw/zinc/07/74/38/1103077438.db2.gz OCWNJKIRCUGLED-SFHVURJKSA-N 2 2 338.455 2.477 10 30 EEEELP C=C(C)CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001479461980 1110698258 /nfs/dbraw/zinc/69/82/58/1110698258.db2.gz OXUFWRGWQOWWIF-GVDBMIGSSA-N 2 2 330.476 2.286 10 30 EEEELP C=CCOCC[NH2+][C@@H]1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)[C@H]1C ZINC001507278354 1115170833 /nfs/dbraw/zinc/17/08/33/1115170833.db2.gz NONVXLMREGZDGR-DOTOQJQBSA-N 2 2 342.443 2.038 10 30 EEEELP C=C(C)CC[NH2+]C[C@@](C)(NC(=O)[C@@H]1CCc2[nH+]ccn2C1)C1CC1 ZINC001568023544 1124235395 /nfs/dbraw/zinc/23/53/95/1124235395.db2.gz VLXYPGHLMFDSAQ-DNVCBOLYSA-N 2 2 330.476 2.286 10 30 EEEELP C=C(C)CC[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC001568295362 1124409752 /nfs/dbraw/zinc/40/97/52/1124409752.db2.gz SUSQDVRBLVFZLZ-SJLPKXTDSA-N 2 2 337.508 2.033 10 30 EEEELP C=C(C)CC[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC001568295362 1124409755 /nfs/dbraw/zinc/40/97/55/1124409755.db2.gz SUSQDVRBLVFZLZ-SJLPKXTDSA-N 2 2 337.508 2.033 10 30 EEEELP CCN(CCC#N)C(=O)C[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000189905584 464560844 /nfs/dbraw/zinc/56/08/44/464560844.db2.gz JPUUZSSUYCDGDE-HNNXBMFYSA-N 2 2 325.416 2.285 10 30 EEEELP Cc1cc(C#N)ccc1C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000370815278 467013723 /nfs/dbraw/zinc/01/37/23/467013723.db2.gz WEBFZCLNCHRHJN-GOSISDBHSA-N 2 2 340.471 2.107 10 30 EEEELP Cc1cc(C#N)ccc1C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000370815278 467013726 /nfs/dbraw/zinc/01/37/26/467013726.db2.gz WEBFZCLNCHRHJN-GOSISDBHSA-N 2 2 340.471 2.107 10 30 EEEELP C[C@@H](C[NH2+]C[C@@H](O)CC1(C#N)CCOCC1)[N@H+](C)Cc1ccccc1 ZINC000600724149 468636537 /nfs/dbraw/zinc/63/65/37/468636537.db2.gz FUDDSDDSFTWNGA-HKUYNNGSSA-N 2 2 345.487 2.168 10 30 EEEELP C[C@@H](C[NH2+]C[C@@H](O)CC1(C#N)CCOCC1)[N@@H+](C)Cc1ccccc1 ZINC000600724149 468636542 /nfs/dbraw/zinc/63/65/42/468636542.db2.gz FUDDSDDSFTWNGA-HKUYNNGSSA-N 2 2 345.487 2.168 10 30 EEEELP C=CCCn1cc(C[NH2+]C[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)nn1 ZINC000657499325 471152366 /nfs/dbraw/zinc/15/23/66/471152366.db2.gz CROGOBFRHUWTAT-MJGOQNOKSA-N 2 2 325.460 2.289 10 30 EEEELP C=CCCn1cc(C[NH2+]C[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)nn1 ZINC000657499325 471152373 /nfs/dbraw/zinc/15/23/73/471152373.db2.gz CROGOBFRHUWTAT-MJGOQNOKSA-N 2 2 325.460 2.289 10 30 EEEELP C#CC[NH+]1CCN(C(=O)C[NH2+][C@H](CC(C)C)c2cccs2)CC1 ZINC000754289783 577804014 /nfs/dbraw/zinc/80/40/14/577804014.db2.gz BTIQWVUORQBIHX-MRXNPFEDSA-N 2 2 333.501 2.202 10 30 EEEELP Cc1[nH+]c[nH]c1CC(=O)N[C@H](C)CCC[NH2+]Cc1ccccc1C#N ZINC001485746153 1191928740 /nfs/dbraw/zinc/92/87/40/1191928740.db2.gz ALDJFQKGFPFEAU-CQSZACIVSA-N 2 2 339.443 2.207 10 30 EEEELP C=CCC[NH2+]C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CC[C@@H]1C(F)(F)F ZINC001691444996 1178826986 /nfs/dbraw/zinc/82/69/86/1178826986.db2.gz AGOCCPQCZQXZOC-OLZOCXBDSA-N 2 2 344.381 2.145 10 30 EEEELP C#CC[NH2+][C@H](CNC(=O)c1ccn2c(C)c[nH+]c2c1)c1ccccc1 ZINC001267362536 1178842179 /nfs/dbraw/zinc/84/21/79/1178842179.db2.gz SALIYAHQZHFOTC-GOSISDBHSA-N 2 2 332.407 2.337 10 30 EEEELP C=C(C)CC[NH2+]CC1(NC(=O)[C@@H]2CCn3cc[nH+]c3C2)CCCC1 ZINC001267839167 1180612414 /nfs/dbraw/zinc/61/24/14/1180612414.db2.gz JJZCUDYEEYTILH-MRXNPFEDSA-N 2 2 330.476 2.430 10 30 EEEELP C=CCC[C@@H](C)[N@@H+]1CC[C@H](N(C)C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001269251993 1184104400 /nfs/dbraw/zinc/10/44/00/1184104400.db2.gz VDDSOLZPBIWJRQ-CABCVRRESA-N 2 2 334.464 2.237 10 30 EEEELP C=CCC[C@@H](C)[N@H+]1CC[C@H](N(C)C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001269251993 1184104403 /nfs/dbraw/zinc/10/44/03/1184104403.db2.gz VDDSOLZPBIWJRQ-CABCVRRESA-N 2 2 334.464 2.237 10 30 EEEELP CC#CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@H](CC(C)C)n3cc[nH+]c3)C2)C1 ZINC001269731281 1184566328 /nfs/dbraw/zinc/56/63/28/1184566328.db2.gz HQKCDYJKWPZMGN-ICSRJNTNSA-N 2 2 342.487 2.418 10 30 EEEELP CC#CC[N@H+]1CC[C@]2(CCN(C(=O)[C@H](CC(C)C)n3cc[nH+]c3)C2)C1 ZINC001269731281 1184566333 /nfs/dbraw/zinc/56/63/33/1184566333.db2.gz HQKCDYJKWPZMGN-ICSRJNTNSA-N 2 2 342.487 2.418 10 30 EEEELP C[C@H](C[NH2+]CC#Cc1ccc(Cl)cc1)NC(=O)CCc1c[nH]c[nH+]1 ZINC001483134517 1188661836 /nfs/dbraw/zinc/66/18/36/1188661836.db2.gz LOGFVMDDDQIYMX-CQSZACIVSA-N 2 2 344.846 2.142 10 30 EEEELP C=CCCC[NH2+]C1CC(N(C)C(=O)[C@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC001486474059 1193988030 /nfs/dbraw/zinc/98/80/30/1193988030.db2.gz PCRLGYTXCDUZGX-NKELODKYSA-N 2 2 349.519 2.175 10 30 EEEELP C=CCCC[NH2+]C1CC(N(C)C(=O)[C@H]2COCC[N@H+]2C2CCCC2)C1 ZINC001486474059 1193988033 /nfs/dbraw/zinc/98/80/33/1193988033.db2.gz PCRLGYTXCDUZGX-NKELODKYSA-N 2 2 349.519 2.175 10 30 EEEELP CC[C@@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)c1cccc(C#N)c1O ZINC000926357411 1206215621 /nfs/dbraw/zinc/21/56/21/1206215621.db2.gz PGXBLPFRJNDQRV-QGZVFWFLSA-N 2 2 330.476 2.331 10 30 EEEELP CC[C@@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1cccc(C#N)c1O ZINC000926357411 1206215622 /nfs/dbraw/zinc/21/56/22/1206215622.db2.gz PGXBLPFRJNDQRV-QGZVFWFLSA-N 2 2 330.476 2.331 10 30 EEEELP C#CCC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001491212955 1258787225 /nfs/dbraw/zinc/78/72/25/1258787225.db2.gz FNABZMMUPOLITB-ZWKOTPCHSA-N 2 2 330.476 2.464 10 30 EEEELP C#CCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001491212955 1258787231 /nfs/dbraw/zinc/78/72/31/1258787231.db2.gz FNABZMMUPOLITB-ZWKOTPCHSA-N 2 2 330.476 2.464 10 30 EEEELP O=C(NC[C@@H]([NH2+]CC#Cc1ccccc1)C1CC1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001490674017 1291557810 /nfs/dbraw/zinc/55/78/10/1291557810.db2.gz OQPFEFNXUOWZRJ-GUDVDZBRSA-N 2 2 348.450 2.049 10 30 EEEELP CC#CC[NH2+]CCCCCCN(C)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001264043099 1322597199 /nfs/dbraw/zinc/59/71/99/1322597199.db2.gz IZLZARPVAZSUFT-KRWDZBQOSA-N 2 2 330.476 2.077 10 30 EEEELP C=C(C)C[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001264741748 1322798631 /nfs/dbraw/zinc/79/86/31/1322798631.db2.gz OUWPRSIVJHTMFP-IRXDYDNUSA-N 2 2 330.476 2.335 10 30 EEEELP C=C(C)C[N@@H+](C)C[C@@H]1CCCCN1C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001264741748 1322798636 /nfs/dbraw/zinc/79/86/36/1322798636.db2.gz OUWPRSIVJHTMFP-IRXDYDNUSA-N 2 2 330.476 2.335 10 30 EEEELP CC#CC[N@@H+]1CCC[C@H]1CCCNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001266216369 1323785232 /nfs/dbraw/zinc/78/52/32/1323785232.db2.gz RLICGSTVQOCQNL-GOSISDBHSA-N 2 2 342.487 2.146 10 30 EEEELP CC#CC[N@H+]1CCC[C@H]1CCCNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001266216369 1323785238 /nfs/dbraw/zinc/78/52/38/1323785238.db2.gz RLICGSTVQOCQNL-GOSISDBHSA-N 2 2 342.487 2.146 10 30 EEEELP C=CCC[C@H](C)[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCc1c[nH+]cn1C ZINC001317051539 1332061612 /nfs/dbraw/zinc/06/16/12/1332061612.db2.gz GQNINSPNQYZKKK-RYQLBKOJSA-N 2 2 330.476 2.383 10 30 EEEELP C=CCC[C@H](C)[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCc1c[nH+]cn1C ZINC001317051539 1332061615 /nfs/dbraw/zinc/06/16/15/1332061615.db2.gz GQNINSPNQYZKKK-RYQLBKOJSA-N 2 2 330.476 2.383 10 30 EEEELP C=CCC[N@@H+](C)C[C@H]1CCN(C(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001317840492 1332427939 /nfs/dbraw/zinc/42/79/39/1332427939.db2.gz RUXGCQITHIAVGK-MRXNPFEDSA-N 2 2 330.476 2.118 10 30 EEEELP C=CCC[N@H+](C)C[C@H]1CCN(C(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001317840492 1332427942 /nfs/dbraw/zinc/42/79/42/1332427942.db2.gz RUXGCQITHIAVGK-MRXNPFEDSA-N 2 2 330.476 2.118 10 30 EEEELP C=CCCCCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001318205010 1332487991 /nfs/dbraw/zinc/48/79/91/1332487991.db2.gz XVYOWXCYOPICEF-BZSNNMDCSA-N 2 2 342.487 2.477 10 30 EEEELP C=CCCCCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001318205010 1332487993 /nfs/dbraw/zinc/48/79/93/1332487993.db2.gz XVYOWXCYOPICEF-BZSNNMDCSA-N 2 2 342.487 2.477 10 30 EEEELP C#CCC[NH2+]C[C@](C)(NC(=O)c1ccc(-n2cc[nH+]c2)cc1)C1CC1 ZINC001318711749 1332581783 /nfs/dbraw/zinc/58/17/83/1332581783.db2.gz UTPMBQKQLYQTDE-FQEVSTJZSA-N 2 2 336.439 2.384 10 30 EEEELP C=CCC[C@@H](C)[N@@H+]1CC[C@H]1CNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001323244203 1333420691 /nfs/dbraw/zinc/42/06/91/1333420691.db2.gz UZZNDSWUGRIEEB-WBVHZDCISA-N 2 2 330.476 2.307 10 30 EEEELP C=CCC[C@@H](C)[N@H+]1CC[C@H]1CNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001323244203 1333420694 /nfs/dbraw/zinc/42/06/94/1333420694.db2.gz UZZNDSWUGRIEEB-WBVHZDCISA-N 2 2 330.476 2.307 10 30 EEEELP C=CCCC[NH2+][C@H](C)CN(C)C(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC001331530866 1335031783 /nfs/dbraw/zinc/03/17/83/1335031783.db2.gz PEQGVRBPBBRRJI-SJLPKXTDSA-N 2 2 337.508 2.033 10 30 EEEELP C=CCCC[NH2+][C@H](C)CN(C)C(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC001331530866 1335031785 /nfs/dbraw/zinc/03/17/85/1335031785.db2.gz PEQGVRBPBBRRJI-SJLPKXTDSA-N 2 2 337.508 2.033 10 30 EEEELP C=C(C)CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)Cc3c[nH+]cn3C)C[C@@H]21 ZINC001332146103 1335743225 /nfs/dbraw/zinc/74/32/25/1335743225.db2.gz LLVLWOWRIVUCIJ-BPQIPLTHSA-N 2 2 330.476 2.146 10 30 EEEELP C#CC[NH+]1CCC([NH2+]C[C@@H](O)c2ccc(OC(F)(F)F)cc2)CC1 ZINC001335880801 1336441691 /nfs/dbraw/zinc/44/16/91/1336441691.db2.gz GSGUOIAKRVNLRY-MRXNPFEDSA-N 2 2 342.361 2.306 10 30 EEEELP C=CCCC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC001566691890 1342604065 /nfs/dbraw/zinc/60/40/65/1342604065.db2.gz WERVDIWJZVYVQE-IAGOWNOFSA-N 2 2 342.487 2.382 10 30 EEEELP C=CCC[NH2+]C[C@@]1(C)CCN(C(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001569669209 1342920160 /nfs/dbraw/zinc/92/01/60/1342920160.db2.gz JKRUTDNTFJXKFJ-LJQANCHMSA-N 2 2 330.476 2.166 10 30 EEEELP CC#CC[NH2+][C@@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)CC1(C)C ZINC001571561510 1343238129 /nfs/dbraw/zinc/23/81/29/1343238129.db2.gz XFDPAFFRCHLNEV-GOSISDBHSA-N 2 2 336.439 2.336 10 30 EEEELP C=C(C)CC[NH2+]Cc1ccc(CNC(=O)Cc2c[nH+]cn2C)c(F)c1 ZINC001677648147 1357382618 /nfs/dbraw/zinc/38/26/18/1357382618.db2.gz FNGARMGFPVYRGL-UHFFFAOYSA-N 2 2 344.434 2.474 10 30 EEEELP C#CC[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001656618580 1354252973 /nfs/dbraw/zinc/25/29/73/1354252973.db2.gz HXBDGJNLTFMMAN-YFHUEUNASA-N 2 2 328.460 2.143 10 30 EEEELP C#CC[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001656618580 1354252977 /nfs/dbraw/zinc/25/29/77/1354252977.db2.gz HXBDGJNLTFMMAN-YFHUEUNASA-N 2 2 328.460 2.143 10 30 EEEELP C=CCC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC001672970025 1356624705 /nfs/dbraw/zinc/62/47/05/1356624705.db2.gz KEDZKIOUGKEGIB-ULQDDVLXSA-N 2 2 330.476 2.286 10 30 EEEELP C=CCCCCC[N@@H+]1CCO[C@@]2(CCN(C(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC001675425931 1356978729 /nfs/dbraw/zinc/97/87/29/1356978729.db2.gz JCEVAIACQNLBQK-IBGZPJMESA-N 2 2 346.475 2.002 10 30 EEEELP C=CCCCCC[N@H+]1CCO[C@@]2(CCN(C(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC001675425931 1356978730 /nfs/dbraw/zinc/97/87/30/1356978730.db2.gz JCEVAIACQNLBQK-IBGZPJMESA-N 2 2 346.475 2.002 10 30 EEEELP C=CC[NH2+]CCN(Cc1ccccc1)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001699983793 1405625988 /nfs/dbraw/zinc/62/59/88/1405625988.db2.gz PPOQDIICKFAOLL-UHFFFAOYSA-N 2 2 326.444 2.492 10 30 EEEELP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](Cc2ccccc2C#N)CC1(C)C ZINC001441256007 1094654009 /nfs/dbraw/zinc/65/40/09/1094654009.db2.gz FUQOKQDCESZWOQ-GOSISDBHSA-N 2 2 342.487 2.227 10 30 EEEELP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](Cc2ccccc2C#N)CC1(C)C ZINC001441256007 1094654013 /nfs/dbraw/zinc/65/40/13/1094654013.db2.gz FUQOKQDCESZWOQ-GOSISDBHSA-N 2 2 342.487 2.227 10 30 EEEELP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](Cc2ccccc2C#N)CC1(C)C ZINC001441256007 1094654017 /nfs/dbraw/zinc/65/40/17/1094654017.db2.gz FUQOKQDCESZWOQ-GOSISDBHSA-N 2 2 342.487 2.227 10 30 EEEELP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2C#N)CC1(C)C ZINC001441256007 1094654022 /nfs/dbraw/zinc/65/40/22/1094654022.db2.gz FUQOKQDCESZWOQ-GOSISDBHSA-N 2 2 342.487 2.227 10 30 EEEELP CC#CC[NH2+]C[C@@H]1CCCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001480289938 1100001046 /nfs/dbraw/zinc/00/10/46/1100001046.db2.gz KBCBFKYTMKARPD-KRWDZBQOSA-N 2 2 336.439 2.337 10 30 EEEELP C=C(C)C[NH2+]CC[C@@H]1CCCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001495359397 1101073523 /nfs/dbraw/zinc/07/35/23/1101073523.db2.gz KCKSPHNPPXMHRZ-DLBZAZTESA-N 2 2 330.476 2.240 10 30 EEEELP C[C@H](C[NH2+]CC#Cc1cccc(Cl)c1)NC(=O)CCn1cc[nH+]c1 ZINC001497872179 1103233706 /nfs/dbraw/zinc/23/37/06/1103233706.db2.gz FHELAFPTXBLBCE-OAHLLOKOSA-N 2 2 344.846 2.073 10 30 EEEELP Cc1cn(C(C)(C)C(=O)N[C@@H](C)C[NH2+]Cc2ccccc2C#N)c[nH+]1 ZINC001498060524 1106862970 /nfs/dbraw/zinc/86/29/70/1106862970.db2.gz LUQSLJLERMYKBJ-AWEZNQCLSA-N 2 2 339.443 2.093 10 30 EEEELP C=CC[NH2+]CCc1ccc(CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC001480714001 1106942535 /nfs/dbraw/zinc/94/25/35/1106942535.db2.gz ANFNUQSWKXDYLQ-GOSISDBHSA-N 2 2 338.455 2.080 10 30 EEEELP C#CCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)c1cccc2[nH+]ccn21 ZINC001499491920 1112319968 /nfs/dbraw/zinc/31/99/68/1112319968.db2.gz HGWCAYDGKDHMLS-ALOPSCKCSA-N 2 2 336.439 2.473 10 30 EEEELP C=C(Cl)C[N@H+]1CC=C(CNC(=O)CC2CC[NH+](C)CC2)CC1 ZINC001508222768 1115451086 /nfs/dbraw/zinc/45/10/86/1115451086.db2.gz NCCHUCZBHOFUFF-UHFFFAOYSA-N 2 2 325.884 2.219 10 30 EEEELP C=C(Cl)C[N@@H+]1CC=C(CNC(=O)CC2CC[NH+](C)CC2)CC1 ZINC001508222768 1115451089 /nfs/dbraw/zinc/45/10/89/1115451089.db2.gz NCCHUCZBHOFUFF-UHFFFAOYSA-N 2 2 325.884 2.219 10 30 EEEELP C#CCC[NH2+]CC[C@H]1CCCCN1C(=O)Cc1c[nH+]ccc1OC ZINC001568386596 1124455827 /nfs/dbraw/zinc/45/58/27/1124455827.db2.gz FOMWCTPXUJSLTE-QGZVFWFLSA-N 2 2 329.444 2.017 10 30 EEEELP C[NH+](C)[C@@H]1CCN(c2ccc(NCc3nc(C#N)cs3)[nH+]c2)C1 ZINC000352810655 162295518 /nfs/dbraw/zinc/29/55/18/162295518.db2.gz NTJNERCPXATWPK-CQSZACIVSA-N 2 2 328.445 2.162 10 30 EEEELP CC[N@H+](C)C[C@@H]1CCN(C(=O)NC[C@@H]2CCCn3cc(C)[nH+]c32)C1 ZINC000328659816 465092907 /nfs/dbraw/zinc/09/29/07/465092907.db2.gz UFMSTYKDDAERJI-HOTGVXAUSA-N 2 2 333.480 2.257 10 30 EEEELP CC[N@@H+](C)C[C@@H]1CCN(C(=O)NC[C@@H]2CCCn3cc(C)[nH+]c32)C1 ZINC000328659816 465092911 /nfs/dbraw/zinc/09/29/11/465092911.db2.gz UFMSTYKDDAERJI-HOTGVXAUSA-N 2 2 333.480 2.257 10 30 EEEELP Cc1cn2c([nH+]1)[C@H](CNC(=O)N1CC[C@H]3CC[C@@H](C1)[N@H+]3C)CCC2 ZINC000328659891 465092933 /nfs/dbraw/zinc/09/29/33/465092933.db2.gz UJDLHDUISMVNEQ-XHSDSOJGSA-N 2 2 331.464 2.151 10 30 EEEELP C[NH+](C)[C@@H]1CCN(C(=O)N[C@@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)C1 ZINC000329295088 465291546 /nfs/dbraw/zinc/29/15/46/465291546.db2.gz SJQFXEBFRXSAHV-ZIAGYGMSSA-N 2 2 333.480 2.045 10 30 EEEELP C=CCCO[C@@H](C)C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000172753872 464139570 /nfs/dbraw/zinc/13/95/70/464139570.db2.gz GJXJLBZQVQWEAK-KRWDZBQOSA-N 2 2 337.508 2.034 10 30 EEEELP C[C@@H]([NH2+][C@@H](C)C(=O)N(C)CCC#N)c1cccc(-n2cc[nH+]c2)c1 ZINC000180656501 464362579 /nfs/dbraw/zinc/36/25/79/464362579.db2.gz BMISVDZJOHBMEW-CABCVRRESA-N 2 2 325.416 2.283 10 30 EEEELP COc1c[nH+]ccc1N1CC[NH+](Cc2cccc(C#N)c2F)CC1 ZINC000361529953 466078510 /nfs/dbraw/zinc/07/85/10/466078510.db2.gz HGPAEKJENJXSDW-UHFFFAOYSA-N 2 2 326.375 2.423 10 30 EEEELP Cc1ccc(C2CC[NH+](CC(=O)N[C@](C)(C#N)C3CC3)CC2)c[nH+]1 ZINC000374648301 466704307 /nfs/dbraw/zinc/70/43/07/466704307.db2.gz QIBISNDOSOICJS-LJQANCHMSA-N 2 2 326.444 2.378 10 30 EEEELP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[NH+](Cc2ccc(C#N)s2)CC1(C)C ZINC001485588076 1191858015 /nfs/dbraw/zinc/85/80/15/1191858015.db2.gz XKTGHOZUAZZOHT-MRXNPFEDSA-N 2 2 348.516 2.287 10 30 EEEELP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[NH+](Cc2ccc(C#N)s2)CC1(C)C ZINC001485588076 1191858017 /nfs/dbraw/zinc/85/80/17/1191858017.db2.gz XKTGHOZUAZZOHT-MRXNPFEDSA-N 2 2 348.516 2.287 10 30 EEEELP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)s2)CC1(C)C ZINC001485588076 1191858019 /nfs/dbraw/zinc/85/80/19/1191858019.db2.gz XKTGHOZUAZZOHT-MRXNPFEDSA-N 2 2 348.516 2.287 10 30 EEEELP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)CC1(C)C ZINC001485588076 1191858021 /nfs/dbraw/zinc/85/80/21/1191858021.db2.gz XKTGHOZUAZZOHT-MRXNPFEDSA-N 2 2 348.516 2.287 10 30 EEEELP CC#CC[NH2+]C[C@H](NC(=O)[C@@H]1CCc2c[nH+]cn2C1)C1CCCCC1 ZINC001268117972 1181763640 /nfs/dbraw/zinc/76/36/40/1181763640.db2.gz HAZZMXJHXPIWJR-MJGOQNOKSA-N 2 2 342.487 2.124 10 30 EEEELP C=CCC[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)Cc2c[nH+]ccc2OC)C1 ZINC001268171476 1181942817 /nfs/dbraw/zinc/94/28/17/1181942817.db2.gz OCZZZZZQWPVNHJ-JKSUJKDBSA-N 2 2 331.460 2.426 10 30 EEEELP C=CCOCC[NH2+][C@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@@H]1C ZINC001482422787 1185667831 /nfs/dbraw/zinc/66/78/31/1185667831.db2.gz HEHLJWJKSJIZCT-HOCLYGCPSA-N 2 2 342.443 2.206 10 30 EEEELP C=CCC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001271100081 1185885009 /nfs/dbraw/zinc/88/50/09/1185885009.db2.gz HNQDBKIIIPPFEE-ZIAGYGMSSA-N 2 2 340.418 2.238 10 30 EEEELP C=CCC[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001271100081 1185885016 /nfs/dbraw/zinc/88/50/16/1185885016.db2.gz HNQDBKIIIPPFEE-ZIAGYGMSSA-N 2 2 340.418 2.238 10 30 EEEELP C=CCC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001271100081 1185885025 /nfs/dbraw/zinc/88/50/25/1185885025.db2.gz HNQDBKIIIPPFEE-ZIAGYGMSSA-N 2 2 340.418 2.238 10 30 EEEELP C=CCC[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001271100081 1185885034 /nfs/dbraw/zinc/88/50/34/1185885034.db2.gz HNQDBKIIIPPFEE-ZIAGYGMSSA-N 2 2 340.418 2.238 10 30 EEEELP C=CCC[NH2+][C@H]1CCCCCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001691625853 1188676942 /nfs/dbraw/zinc/67/69/42/1188676942.db2.gz OZSONNATHUFAKE-SJORKVTESA-N 2 2 330.476 2.382 10 30 EEEELP N#Cc1ccc(C[NH2+]C[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C2CC2)cc1 ZINC001483567992 1190557252 /nfs/dbraw/zinc/55/72/52/1190557252.db2.gz XUQFYQIDHGGGNG-KURKYZTESA-N 2 2 349.438 2.069 10 30 EEEELP N#Cc1ccc(C[NH2+]C[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C2CC2)cc1 ZINC001483567992 1190557255 /nfs/dbraw/zinc/55/72/55/1190557255.db2.gz XUQFYQIDHGGGNG-KURKYZTESA-N 2 2 349.438 2.069 10 30 EEEELP C=C(C)CC[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001485255343 1191713056 /nfs/dbraw/zinc/71/30/56/1191713056.db2.gz DUPLWCIKWNYPHK-MRXNPFEDSA-N 2 2 332.492 2.486 10 30 EEEELP C=CCCC[NH2+][C@H]1CN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1(C)C ZINC001486236558 1193762938 /nfs/dbraw/zinc/76/29/38/1193762938.db2.gz UPLSDBSDQROIMD-CVEARBPZSA-N 2 2 330.476 2.238 10 30 EEEELP C=CCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1(C)C ZINC001486236560 1193762956 /nfs/dbraw/zinc/76/29/56/1193762956.db2.gz UPLSDBSDQROIMD-HZPDHXFCSA-N 2 2 330.476 2.238 10 30 EEEELP C[N@@H+](CC#Cc1ccccc1)CCNC(=O)[C@@H]1CCC[C@@H]2CCC[NH+]21 ZINC001267221250 1276645092 /nfs/dbraw/zinc/64/50/92/1276645092.db2.gz ZHTAUUMNNHBZNK-UXHICEINSA-N 2 2 339.483 2.103 10 30 EEEELP C[N@H+](CC#Cc1ccccc1)CCNC(=O)[C@@H]1CCC[C@@H]2CCC[NH+]21 ZINC001267221250 1276645100 /nfs/dbraw/zinc/64/51/00/1276645100.db2.gz ZHTAUUMNNHBZNK-UXHICEINSA-N 2 2 339.483 2.103 10 30 EEEELP C[NH+](CC#Cc1ccccc1)CCNC(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001267221250 1276645111 /nfs/dbraw/zinc/64/51/11/1276645111.db2.gz ZHTAUUMNNHBZNK-UXHICEINSA-N 2 2 339.483 2.103 10 30 EEEELP C[NH+](CC#Cc1ccccc1)CCNC(=O)[C@@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001267221250 1276645116 /nfs/dbraw/zinc/64/51/16/1276645116.db2.gz ZHTAUUMNNHBZNK-UXHICEINSA-N 2 2 339.483 2.103 10 30 EEEELP C=CCCC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001265587204 1323244257 /nfs/dbraw/zinc/24/42/57/1323244257.db2.gz XUAPNGGMYNXQQE-DLBZAZTESA-N 2 2 330.476 2.240 10 30 EEEELP C=CCCC[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001265587204 1323244261 /nfs/dbraw/zinc/24/42/61/1323244261.db2.gz XUAPNGGMYNXQQE-DLBZAZTESA-N 2 2 330.476 2.240 10 30 EEEELP C#CC[NH2+][C@@H]1CCCCCN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001316770359 1331883371 /nfs/dbraw/zinc/88/33/71/1331883371.db2.gz JOTOHHHYYBADPW-QZTJIDSGSA-N 2 2 330.476 2.464 10 30 EEEELP C=CC[NH+]1CCC(N(CCC)C(=O)[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC001317005559 1332041307 /nfs/dbraw/zinc/04/13/07/1332041307.db2.gz HHEVWGSYKHZNDN-INIZCTEOSA-N 2 2 330.476 2.335 10 30 EEEELP CC#CC[NH+]1CCC(N(CCC)C(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC001317007645 1332042505 /nfs/dbraw/zinc/04/25/05/1332042505.db2.gz XAGHNYQYHGKWNX-QGZVFWFLSA-N 2 2 342.487 2.172 10 30 EEEELP C#CCC[NH2+]CCC1CCN(C(=O)Cc2cn3c([nH+]2)CCCC3)CC1 ZINC001318884561 1332617024 /nfs/dbraw/zinc/61/70/24/1332617024.db2.gz CNZQKGFIZOCLEL-UHFFFAOYSA-N 2 2 342.487 2.004 10 30 EEEELP C=CCC[NH2+]C[C@@H]1CCCN1C(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC001324250485 1333643148 /nfs/dbraw/zinc/64/31/48/1333643148.db2.gz PNBWFRKBTWHUEE-KRWDZBQOSA-N 2 2 326.444 2.342 10 30 EEEELP C#CC[N@H+]1C[C@@H]2CCCN(C(=O)[C@H](CC(C)C)n3cc[nH+]c3)[C@@H]2C1 ZINC001325943698 1334002843 /nfs/dbraw/zinc/00/28/43/1334002843.db2.gz XUESWNDPQCJTKT-OKZBNKHCSA-N 2 2 328.460 2.026 10 30 EEEELP C#CC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@H](CC(C)C)n3cc[nH+]c3)[C@@H]2C1 ZINC001325943698 1334002846 /nfs/dbraw/zinc/00/28/46/1334002846.db2.gz XUESWNDPQCJTKT-OKZBNKHCSA-N 2 2 328.460 2.026 10 30 EEEELP C=C[C@H](C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)c1ccccc1 ZINC001351206167 1337795729 /nfs/dbraw/zinc/79/57/29/1337795729.db2.gz TZVDSSOVJOGDGT-IBGZPJMESA-N 2 2 329.488 2.441 10 30 EEEELP C=C[C@H](C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)c1ccccc1 ZINC001351206167 1337795732 /nfs/dbraw/zinc/79/57/32/1337795732.db2.gz TZVDSSOVJOGDGT-IBGZPJMESA-N 2 2 329.488 2.441 10 30 EEEELP C=CCCC[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001570676817 1343101305 /nfs/dbraw/zinc/10/13/05/1343101305.db2.gz JJOJTIRSDYMERN-MRXNPFEDSA-N 2 2 332.492 2.486 10 30 EEEELP C=CC[NH2+]C[C@H]1CC[C@@H](NC(=O)Cc2cn3cccc(C)c3[nH+]2)C1 ZINC001676957219 1357248812 /nfs/dbraw/zinc/24/88/12/1357248812.db2.gz AITPKPIUIWJGJD-JKSUJKDBSA-N 2 2 326.444 2.246 10 30 EEEELP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@@H]1C(F)(F)F ZINC001677052144 1357271419 /nfs/dbraw/zinc/27/14/19/1357271419.db2.gz MARRDJSMHDXVKV-KGLIPLIRSA-N 2 2 344.381 2.076 10 30 EEEELP C=CC[N@H+]1CCC[C@@H]2[C@@H](NC(=O)CCc3[nH+]ccn3C)C(C)(C)[C@H]21 ZINC001656653394 1354258700 /nfs/dbraw/zinc/25/87/00/1354258700.db2.gz WYCCYTCKGMKPKH-OLMNPRSZSA-N 2 2 330.476 2.144 10 30 EEEELP C=CC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)CCc3[nH+]ccn3C)C(C)(C)[C@H]21 ZINC001656653394 1354258703 /nfs/dbraw/zinc/25/87/03/1354258703.db2.gz WYCCYTCKGMKPKH-OLMNPRSZSA-N 2 2 330.476 2.144 10 30 EEEELP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CC[C@@H]1C(F)(F)F ZINC001656668682 1354262222 /nfs/dbraw/zinc/26/22/22/1354262222.db2.gz GXGHDPWQGZVFGR-OLZOCXBDSA-N 2 2 344.381 2.145 10 30 EEEELP C#CCC[N@H+]1CC[C@H](NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC(C)(C)C1 ZINC001657105759 1354328052 /nfs/dbraw/zinc/32/80/52/1354328052.db2.gz CAVXRMIWSRONOD-CVEARBPZSA-N 2 2 330.476 2.218 10 30 EEEELP C#CCC[N@@H+]1CC[C@H](NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC(C)(C)C1 ZINC001657105759 1354328057 /nfs/dbraw/zinc/32/80/57/1354328057.db2.gz CAVXRMIWSRONOD-CVEARBPZSA-N 2 2 330.476 2.218 10 30 EEEELP C#CCC[N@H+]1CC[C@H](NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC(C)(C)C1 ZINC001657105759 1354328058 /nfs/dbraw/zinc/32/80/58/1354328058.db2.gz CAVXRMIWSRONOD-CVEARBPZSA-N 2 2 330.476 2.218 10 30 EEEELP C#CCC[N@@H+]1CC[C@H](NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC(C)(C)C1 ZINC001657105759 1354328065 /nfs/dbraw/zinc/32/80/65/1354328065.db2.gz CAVXRMIWSRONOD-CVEARBPZSA-N 2 2 330.476 2.218 10 30 EEEELP CC#CC[C@@H](CO)[NH2+]Cc1ccc(OCCn2cc[nH+]c2)c(Cl)c1 ZINC001658212194 1354356997 /nfs/dbraw/zinc/35/69/97/1354356997.db2.gz YCOKLPZYDZIQLQ-INIZCTEOSA-N 2 2 347.846 2.479 10 30 EEEELP C[C@H](CC(=O)NCCC[N@H+](C)Cc1ccccc1C#N)n1cc[nH+]c1 ZINC001660318389 1354438497 /nfs/dbraw/zinc/43/84/97/1354438497.db2.gz UYSOMXIOPQGBKL-MRXNPFEDSA-N 2 2 339.443 2.344 10 30 EEEELP C[C@H](CC(=O)NCCC[N@@H+](C)Cc1ccccc1C#N)n1cc[nH+]c1 ZINC001660318389 1354438498 /nfs/dbraw/zinc/43/84/98/1354438498.db2.gz UYSOMXIOPQGBKL-MRXNPFEDSA-N 2 2 339.443 2.344 10 30 EEEELP O=C(Cc1[nH]cc[nH+]1)NC1CCC([NH2+]CC#Cc2ccccc2)CC1 ZINC001662134773 1354753780 /nfs/dbraw/zinc/75/37/80/1354753780.db2.gz VDGACKXJMGZCFK-UHFFFAOYSA-N 2 2 336.439 2.021 10 30 EEEELP CC#CC[NH2+]C[C@@H](NC(=O)Cc1cn2c([nH+]1)CCCC2)C1CCCC1 ZINC001671530371 1356357371 /nfs/dbraw/zinc/35/73/71/1356357371.db2.gz LOCKZUZWGVUQAT-GOSISDBHSA-N 2 2 342.487 2.050 10 30 EEEELP C#CCC[N@H+]1CCC[C@](C)(CNC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001671887566 1356431100 /nfs/dbraw/zinc/43/11/00/1356431100.db2.gz RHTVNOHNQBOZSB-HXUWFJFHSA-N 2 2 338.455 2.498 10 30 EEEELP C#CCC[N@@H+]1CCC[C@](C)(CNC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001671887566 1356431104 /nfs/dbraw/zinc/43/11/04/1356431104.db2.gz RHTVNOHNQBOZSB-HXUWFJFHSA-N 2 2 338.455 2.498 10 30 EEEELP C[C@@H](CCNC(=O)Cc1[nH]cc[nH+]1)[NH2+]CC#Cc1cccc(Cl)c1 ZINC001674245550 1356807367 /nfs/dbraw/zinc/80/73/67/1356807367.db2.gz JXVZWNJRNUYOBZ-AWEZNQCLSA-N 2 2 344.846 2.142 10 30 EEEELP C=C(C)C[NH2+]CC1(NC(=O)[C@H]2CCc3[nH+]ccn3C2)CCCCC1 ZINC001675192526 1356944056 /nfs/dbraw/zinc/94/40/56/1356944056.db2.gz WZNVVDAAFWLJFA-INIZCTEOSA-N 2 2 330.476 2.430 10 30 EEEELP C#CCC[N@@H+]1CC[C@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C(C)(C)C1 ZINC000940765726 779244738 /nfs/dbraw/zinc/24/47/38/779244738.db2.gz VZHGFGYVYJRFTD-KRWDZBQOSA-N 2 2 342.487 2.002 10 30 EEEELP C#CCC[N@H+]1CC[C@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C(C)(C)C1 ZINC000940765726 779244742 /nfs/dbraw/zinc/24/47/42/779244742.db2.gz VZHGFGYVYJRFTD-KRWDZBQOSA-N 2 2 342.487 2.002 10 30 EEEELP C[NH+]1C[C@@]2(C)C[NH+](CCC(=O)Nc3sccc3C#N)C[C@]2(C)C1 ZINC000826798533 800419367 /nfs/dbraw/zinc/41/93/67/800419367.db2.gz IUPOMBGLLYNGBM-IRXDYDNUSA-N 2 2 332.473 2.222 10 30 EEEELP C#CCC[N@@H+](C)C[C@H]1CCCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001480076938 1099618025 /nfs/dbraw/zinc/61/80/25/1099618025.db2.gz GSCVOGVZLWKXFO-QGZVFWFLSA-N 2 2 338.455 2.450 10 30 EEEELP C#CCC[N@H+](C)C[C@H]1CCCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001480076938 1099618028 /nfs/dbraw/zinc/61/80/28/1099618028.db2.gz GSCVOGVZLWKXFO-QGZVFWFLSA-N 2 2 338.455 2.450 10 30 EEEELP C=CCCCCC[NH+]1CC(N(C)C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001499695612 1112447530 /nfs/dbraw/zinc/44/75/30/1112447530.db2.gz FQQZQSYSGPGPPJ-MRXNPFEDSA-N 2 2 330.476 2.335 10 30 EEEELP C=CC[N@@H+]1CC[C@H]([C@@H]2CCCN(C(=O)CCCn3cc[nH+]c3)C2)C1 ZINC001505472596 1114009776 /nfs/dbraw/zinc/00/97/76/1114009776.db2.gz IYPAJQCZQZHBOI-MSOLQXFVSA-N 2 2 330.476 2.410 10 30 EEEELP C=CC[N@H+]1CC[C@H]([C@@H]2CCCN(C(=O)CCCn3cc[nH+]c3)C2)C1 ZINC001505472596 1114009778 /nfs/dbraw/zinc/00/97/78/1114009778.db2.gz IYPAJQCZQZHBOI-MSOLQXFVSA-N 2 2 330.476 2.410 10 30 EEEELP C=C(C)C[NH2+]CCC[C@H](C)NC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1 ZINC001506924589 1114977496 /nfs/dbraw/zinc/97/74/96/1114977496.db2.gz WLLDGECOZRJUCU-YOEHRIQHSA-N 2 2 333.480 2.241 10 30 EEEELP C=C(C)C[NH2+]CCC[C@H](C)NC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1 ZINC001506924589 1114977498 /nfs/dbraw/zinc/97/74/98/1114977498.db2.gz WLLDGECOZRJUCU-YOEHRIQHSA-N 2 2 333.480 2.241 10 30 EEEELP C=C(Cl)C[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001507016496 1115055926 /nfs/dbraw/zinc/05/59/26/1115055926.db2.gz YXTBLSSATFPROR-GOEBONIOSA-N 2 2 336.867 2.025 10 30 EEEELP C=CCCC[N@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001567939024 1124194967 /nfs/dbraw/zinc/19/49/67/1124194967.db2.gz MUUZQVLJBXLDLE-IAGOWNOFSA-N 2 2 330.476 2.335 10 30 EEEELP C=CCCC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001567939024 1124194969 /nfs/dbraw/zinc/19/49/69/1124194969.db2.gz MUUZQVLJBXLDLE-IAGOWNOFSA-N 2 2 330.476 2.335 10 30 EEEELP CC(C)[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH+](C)CC#Cc1ccccc1 ZINC001568483523 1124540700 /nfs/dbraw/zinc/54/07/00/1124540700.db2.gz YFFAZCHJTRCSQW-FQEVSTJZSA-N 2 2 341.499 2.301 10 30 EEEELP CC(C)[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH+](C)CC#Cc1ccccc1 ZINC001568483523 1124540705 /nfs/dbraw/zinc/54/07/05/1124540705.db2.gz YFFAZCHJTRCSQW-FQEVSTJZSA-N 2 2 341.499 2.301 10 30 EEEELP CC(C)[NH+]1CCC[C@H]1C(=O)N(C)CC[N@H+](C)CC#Cc1ccccc1 ZINC001568483523 1124540709 /nfs/dbraw/zinc/54/07/09/1124540709.db2.gz YFFAZCHJTRCSQW-FQEVSTJZSA-N 2 2 341.499 2.301 10 30 EEEELP CC(C)[NH+]1CCC[C@H]1C(=O)N(C)CC[N@@H+](C)CC#Cc1ccccc1 ZINC001568483523 1124540716 /nfs/dbraw/zinc/54/07/16/1124540716.db2.gz YFFAZCHJTRCSQW-FQEVSTJZSA-N 2 2 341.499 2.301 10 30 EEEELP C[C@H]([NH2+][C@H]1CCCN(Cc2[nH+]ccn2C)C1=O)c1ccc(C#N)cc1 ZINC000543084351 318150287 /nfs/dbraw/zinc/15/02/87/318150287.db2.gz GJGRZIRRZDMAAZ-YOEHRIQHSA-N 2 2 337.427 2.134 10 30 EEEELP N#CCc1ccc(OC[C@H](O)C[NH2+]C[C@H]2CC[N@@H+]2C2CCCC2)cc1 ZINC000600757217 485626188 /nfs/dbraw/zinc/62/61/88/485626188.db2.gz QSIQKYTXQJBQPR-RTBURBONSA-N 2 2 343.471 2.099 10 30 EEEELP N#CCc1ccc(OC[C@H](O)C[NH2+]C[C@H]2CC[N@H+]2C2CCCC2)cc1 ZINC000600757217 485626192 /nfs/dbraw/zinc/62/61/92/485626192.db2.gz QSIQKYTXQJBQPR-RTBURBONSA-N 2 2 343.471 2.099 10 30 EEEELP C=C(C)CC[NH2+]C[C@]1(C)CCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001270745102 1185361823 /nfs/dbraw/zinc/36/18/23/1185361823.db2.gz UXAREYFMACDWLJ-LPHOPBHVSA-N 2 2 330.476 2.240 10 30 EEEELP C=C(Cl)C[NH2+]C[C@@H](CC(C)C)NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001482386884 1185587436 /nfs/dbraw/zinc/58/74/36/1185587436.db2.gz JOZSWRMVCPAXLJ-LSDHHAIUSA-N 2 2 338.883 2.319 10 30 EEEELP C#CCC[NH2+]C[C@@H](NC(=O)[C@@H]1CCn2cc[nH+]c2C1)C1CCCCC1 ZINC001271341867 1186150032 /nfs/dbraw/zinc/15/00/32/1186150032.db2.gz SPVVFAUOLQSBRK-QZTJIDSGSA-N 2 2 342.487 2.124 10 30 EEEELP C#CCC[NH2+]C[C@@H](NC(=O)[C@H](C)Cc1c[nH]c[nH+]1)C1CCCCC1 ZINC001271347840 1186153572 /nfs/dbraw/zinc/15/35/72/1186153572.db2.gz SJEBJIWCDWKFMX-CRAIPNDOSA-N 2 2 330.476 2.266 10 30 EEEELP C#CCC[NH2+]C[C@@H](NC(=O)[C@H](C)Cc1c[nH+]c[nH]1)C1CCCCC1 ZINC001271347840 1186153577 /nfs/dbraw/zinc/15/35/77/1186153577.db2.gz SJEBJIWCDWKFMX-CRAIPNDOSA-N 2 2 330.476 2.266 10 30 EEEELP C[C@H](CC(=O)N[C@@H](C)CC[NH2+]CC#Cc1ccccc1)n1cc[nH+]c1 ZINC001482879557 1187798591 /nfs/dbraw/zinc/79/85/91/1187798591.db2.gz WVFNBRUDRBSHQR-ZWKOTPCHSA-N 2 2 338.455 2.370 10 30 EEEELP C=C(Cl)C[NH2+]C[C@H](CCCC)NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001409816692 1190648151 /nfs/dbraw/zinc/64/81/51/1190648151.db2.gz JYYXGULNYOVAIJ-GJZGRUSLSA-N 2 2 338.883 2.463 10 30 EEEELP C=C(Cl)C[NH+](C)[C@H](C)CNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001485349484 1191750268 /nfs/dbraw/zinc/75/02/68/1191750268.db2.gz GWVBLEQRKYQMOK-CZUORRHYSA-N 2 2 333.879 2.388 10 30 EEEELP C=C(Cl)C[NH+](C)[C@H](C)CNC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001485349484 1191750270 /nfs/dbraw/zinc/75/02/70/1191750270.db2.gz GWVBLEQRKYQMOK-CZUORRHYSA-N 2 2 333.879 2.388 10 30 EEEELP C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001485349484 1191750271 /nfs/dbraw/zinc/75/02/71/1191750271.db2.gz GWVBLEQRKYQMOK-CZUORRHYSA-N 2 2 333.879 2.388 10 30 EEEELP C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001485349484 1191750273 /nfs/dbraw/zinc/75/02/73/1191750273.db2.gz GWVBLEQRKYQMOK-CZUORRHYSA-N 2 2 333.879 2.388 10 30 EEEELP C=C(Cl)C[N@H+]1CC[C@H](N(CCC)C(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001493969324 1191791567 /nfs/dbraw/zinc/79/15/67/1191791567.db2.gz YZFURXUXGMIXTC-ZBFHGGJFSA-N 2 2 327.900 2.394 10 30 EEEELP C=C(Cl)C[N@@H+]1CC[C@H](N(CCC)C(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001493969324 1191791568 /nfs/dbraw/zinc/79/15/68/1191791568.db2.gz YZFURXUXGMIXTC-ZBFHGGJFSA-N 2 2 327.900 2.394 10 30 EEEELP C=C(Cl)C[NH+]1CC[C@H](N(CCC)C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001493969324 1191791570 /nfs/dbraw/zinc/79/15/70/1191791570.db2.gz YZFURXUXGMIXTC-ZBFHGGJFSA-N 2 2 327.900 2.394 10 30 EEEELP C=C(Cl)C[NH+]1CC[C@H](N(CCC)C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001493969324 1191791572 /nfs/dbraw/zinc/79/15/72/1191791572.db2.gz YZFURXUXGMIXTC-ZBFHGGJFSA-N 2 2 327.900 2.394 10 30 EEEELP C=C(Cl)C[C@H]([NH3+])C(=O)N1CC[NH+](Cc2ccc(CC)s2)CC1 ZINC000876751745 1199756274 /nfs/dbraw/zinc/75/62/74/1199756274.db2.gz WXOVFICRWGOOQD-HNNXBMFYSA-N 2 2 341.908 2.425 10 30 EEEELP C#CCOc1ccc(C[NH+]2CCN(C[C@H]3CCCC[N@H+]3C)CC2)cc1 ZINC000093147688 1214778043 /nfs/dbraw/zinc/77/80/43/1214778043.db2.gz WHQWJPCDKCEHMV-HXUWFJFHSA-N 2 2 341.499 2.301 10 30 EEEELP C#CCOc1ccc(C[NH+]2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)cc1 ZINC000093147688 1214778046 /nfs/dbraw/zinc/77/80/46/1214778046.db2.gz WHQWJPCDKCEHMV-HXUWFJFHSA-N 2 2 341.499 2.301 10 30 EEEELP C#CC[NH+]1CCC([NH2+]C[C@H](O)c2ccc(Br)cc2)CC1 ZINC001262568802 1322325517 /nfs/dbraw/zinc/32/55/17/1322325517.db2.gz GXQFXOKIPZCFKF-INIZCTEOSA-N 2 2 337.261 2.170 10 30 EEEELP O=C(Cc1c[nH]c[nH+]1)N[C@H]1CCC[C@H]([NH2+]CC#Cc2ccccc2)C1 ZINC001266072360 1323627355 /nfs/dbraw/zinc/62/73/55/1323627355.db2.gz VTPHHCSIIMIONL-ROUUACIJSA-N 2 2 336.439 2.021 10 30 EEEELP C[C@@H](CCNC(=O)Cn1cc[nH+]c1)[NH2+]CC#Cc1ccccc1Cl ZINC001266191715 1323754944 /nfs/dbraw/zinc/75/49/44/1323754944.db2.gz IGDIROYJYXGMCY-HNNXBMFYSA-N 2 2 344.846 2.073 10 30 EEEELP CC#CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001281071097 1324751911 /nfs/dbraw/zinc/75/19/11/1324751911.db2.gz JCCIWMJIGCRFAV-VQTJNVASSA-N 2 2 341.499 2.139 10 30 EEEELP CC#CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001281071097 1324751916 /nfs/dbraw/zinc/75/19/16/1324751916.db2.gz JCCIWMJIGCRFAV-VQTJNVASSA-N 2 2 341.499 2.139 10 30 EEEELP C=C(C)CC[N@H+](CCCNC(=O)[C@H]1CCc2[nH+]ccn2C1)C1CC1 ZINC001316917718 1331984162 /nfs/dbraw/zinc/98/41/62/1331984162.db2.gz JCORRMCUDZNEOB-INIZCTEOSA-N 2 2 330.476 2.382 10 30 EEEELP C=C(C)CC[N@@H+](CCCNC(=O)[C@H]1CCc2[nH+]ccn2C1)C1CC1 ZINC001316917718 1331984164 /nfs/dbraw/zinc/98/41/64/1331984164.db2.gz JCORRMCUDZNEOB-INIZCTEOSA-N 2 2 330.476 2.382 10 30 EEEELP C#CCC[N@H+]1CCC[C@@H](CNC(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001317136318 1332093904 /nfs/dbraw/zinc/09/39/04/1332093904.db2.gz AOHMDGPYLBJCQT-ROUUACIJSA-N 2 2 330.476 2.322 10 30 EEEELP C#CCC[N@@H+]1CCC[C@@H](CNC(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001317136318 1332093905 /nfs/dbraw/zinc/09/39/05/1332093905.db2.gz AOHMDGPYLBJCQT-ROUUACIJSA-N 2 2 330.476 2.322 10 30 EEEELP C=C(C)C[NH2+]CC[C@@H]1CCCCN1C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001319764908 1332761942 /nfs/dbraw/zinc/76/19/42/1332761942.db2.gz GELWFHGQCJTMJQ-IRXDYDNUSA-N 2 2 330.476 2.382 10 30 EEEELP C#CC[NH2+]C[C@@H](NC(=O)[C@H](CC(C)C)n1cc[nH+]c1)C1CCCC1 ZINC001324483303 1333692475 /nfs/dbraw/zinc/69/24/75/1333692475.db2.gz QLPPYHLKJLFCHZ-MSOLQXFVSA-N 2 2 330.476 2.368 10 30 EEEELP C#CCC[NH2+]C[C@]1(C)CCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001324761833 1333754446 /nfs/dbraw/zinc/75/44/46/1333754446.db2.gz BOOVRSAIAJLXSW-FQEVSTJZSA-N 2 2 336.439 2.337 10 30 EEEELP C#CCC[NH+]1CCC(C2(NC(=O)Cc3c[nH+]ccc3OC)CC2)CC1 ZINC001333179895 1335976801 /nfs/dbraw/zinc/97/68/01/1335976801.db2.gz AEYMYBHOTOZLIT-UHFFFAOYSA-N 2 2 341.455 2.017 10 30 EEEELP CC(=NNCCCn1cc[nH+]c1)c1ccc(OCC[NH+](C)C)cc1 ZINC000848418159 1338698993 /nfs/dbraw/zinc/69/89/93/1338698993.db2.gz KPHLQYWFXNJHHC-UHFFFAOYSA-N 2 2 329.448 2.227 10 30 EEEELP C=CCC[NH2+]C1CCC(NC(=O)Cc2cn3c([nH+]2)CCCC3)CC1 ZINC001566984311 1342673274 /nfs/dbraw/zinc/67/32/74/1342673274.db2.gz KCBNNYGLZCXUCE-UHFFFAOYSA-N 2 2 330.476 2.355 10 30 EEEELP C=C(C)CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001676228350 1357123768 /nfs/dbraw/zinc/12/37/68/1357123768.db2.gz ODGUSSXBRFKYQE-WMZOPIPTSA-N 2 2 330.476 2.238 10 30 EEEELP C=CC[N@H+]1CCC[C@@H]2[C@H](NC(=O)CCc3[nH+]ccn3C)C(C)(C)[C@H]21 ZINC001656653393 1354258840 /nfs/dbraw/zinc/25/88/40/1354258840.db2.gz WYCCYTCKGMKPKH-JLSDUUJJSA-N 2 2 330.476 2.144 10 30 EEEELP C=CC[N@@H+]1CCC[C@@H]2[C@H](NC(=O)CCc3[nH+]ccn3C)C(C)(C)[C@H]21 ZINC001656653393 1354258842 /nfs/dbraw/zinc/25/88/42/1354258842.db2.gz WYCCYTCKGMKPKH-JLSDUUJJSA-N 2 2 330.476 2.144 10 30 EEEELP C=C(Br)C[N@H+]1CC[C@@H](N(C)C(=O)CCCC[NH+](C)C)C1 ZINC001665681911 1355358456 /nfs/dbraw/zinc/35/84/56/1355358456.db2.gz QKOAKQNAXYEJDD-CQSZACIVSA-N 2 2 346.313 2.160 10 30 EEEELP C=C(Br)C[N@@H+]1CC[C@@H](N(C)C(=O)CCCC[NH+](C)C)C1 ZINC001665681911 1355358459 /nfs/dbraw/zinc/35/84/59/1355358459.db2.gz QKOAKQNAXYEJDD-CQSZACIVSA-N 2 2 346.313 2.160 10 30 EEEELP C#CCN(C(=O)Cc1[nH]cc[nH+]1)C1CC[NH+](CCCCCF)CC1 ZINC001671500479 1356351845 /nfs/dbraw/zinc/35/18/45/1356351845.db2.gz YFQKJDGGUHSZRS-UHFFFAOYSA-N 2 2 334.439 2.018 10 30 EEEELP C#CC[NH+]1CCC(C)(CNC(=O)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC001671846450 1356424230 /nfs/dbraw/zinc/42/42/30/1356424230.db2.gz IPCSZKIJOWDEDV-UHFFFAOYSA-N 2 2 336.439 2.337 10 30 EEEELP C=CCCC[NH2+]C[C@@]1(C)CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001699843582 1405523404 /nfs/dbraw/zinc/52/34/04/1405523404.db2.gz ZVVWDPSKNBIGOX-QFBILLFUSA-N 2 2 330.476 2.240 10 30 EEEELP C=CCC[C@H](C)[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CCc4[nH+]ccn4C3)C[C@H]2C1 ZINC001699989162 1405640192 /nfs/dbraw/zinc/64/01/92/1405640192.db2.gz GSMKQWSWZSGPRZ-XWTMOSNGSA-N 2 2 342.487 2.190 10 30 EEEELP C=CCC[C@H](C)[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CCc4[nH+]ccn4C3)C[C@H]2C1 ZINC001699989162 1405640205 /nfs/dbraw/zinc/64/02/05/1405640205.db2.gz GSMKQWSWZSGPRZ-XWTMOSNGSA-N 2 2 342.487 2.190 10 30 EEEELP Cc1cc(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc(C)c1C#N ZINC000906661653 784062563 /nfs/dbraw/zinc/06/25/63/784062563.db2.gz SJPPQJVMYIKSOZ-KRWDZBQOSA-N 2 2 340.471 2.073 10 30 EEEELP Cc1cc(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc(C)c1C#N ZINC000906661653 784062570 /nfs/dbraw/zinc/06/25/70/784062570.db2.gz SJPPQJVMYIKSOZ-KRWDZBQOSA-N 2 2 340.471 2.073 10 30 EEEELP C=C(Cl)C[NH2+]C[C@](C)(NC(=O)[C@H]1CCn2c[nH+]cc2C1)C1CC1 ZINC001438419986 1090914742 /nfs/dbraw/zinc/91/47/42/1090914742.db2.gz FOHIKALIAOSEMF-GUYCJALGSA-N 2 2 336.867 2.073 10 30 EEEELP C[C@H](CC(=O)N(C)C[C@H](C)[NH2+]Cc1ccc(C#N)s1)n1cc[nH+]c1 ZINC001448728397 1093799188 /nfs/dbraw/zinc/79/91/88/1093799188.db2.gz HORGYSVRPLGBJA-UONOGXRCSA-N 2 2 345.472 2.404 10 30 EEEELP C=CCCC[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001480361542 1100135061 /nfs/dbraw/zinc/13/50/61/1100135061.db2.gz QFXDRFPGEAGMCG-GVDBMIGSSA-N 2 2 330.476 2.461 10 30 EEEELP C#CCN(C(=O)CCc1c[nH+]cn1C)C1CC[NH+](CC=C(C)C)CC1 ZINC001500057318 1112596429 /nfs/dbraw/zinc/59/64/29/1112596429.db2.gz IDVJZXOYMHGTDS-UHFFFAOYSA-N 2 2 342.487 2.245 10 30 EEEELP C=CCC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001501047800 1113179317 /nfs/dbraw/zinc/17/93/17/1113179317.db2.gz TXJAHDWYUGFGIG-JKSUJKDBSA-N 2 2 330.476 2.165 10 30 EEEELP C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)C(C)(C)[N@H+](C)C1CCCC1)O2 ZINC001502437285 1113682643 /nfs/dbraw/zinc/68/26/43/1113682643.db2.gz XWUQKBYMWNLNJD-KRWDZBQOSA-N 2 2 349.519 2.175 10 30 EEEELP C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)C(C)(C)[N@@H+](C)C1CCCC1)O2 ZINC001502437285 1113682645 /nfs/dbraw/zinc/68/26/45/1113682645.db2.gz XWUQKBYMWNLNJD-KRWDZBQOSA-N 2 2 349.519 2.175 10 30 EEEELP C=CCC[C@@H](C)[N@@H+]1CCO[C@]2(CCN(C(=O)CCc3c[nH]c[nH+]3)C2)C1 ZINC001506723113 1114833397 /nfs/dbraw/zinc/83/33/97/1114833397.db2.gz RHZAIFHJNBTYQT-VQIMIIECSA-N 2 2 346.475 2.000 10 30 EEEELP C=CCC[C@@H](C)[N@H+]1CCO[C@]2(CCN(C(=O)CCc3c[nH]c[nH+]3)C2)C1 ZINC001506723113 1114833400 /nfs/dbraw/zinc/83/34/00/1114833400.db2.gz RHZAIFHJNBTYQT-VQIMIIECSA-N 2 2 346.475 2.000 10 30 EEEELP C=CCC[C@@H](C)[N@@H+]1CCO[C@]2(CCN(C(=O)CCc3c[nH+]c[nH]3)C2)C1 ZINC001506723113 1114833403 /nfs/dbraw/zinc/83/34/03/1114833403.db2.gz RHZAIFHJNBTYQT-VQIMIIECSA-N 2 2 346.475 2.000 10 30 EEEELP C=CCC[C@@H](C)[N@H+]1CCO[C@]2(CCN(C(=O)CCc3c[nH+]c[nH]3)C2)C1 ZINC001506723113 1114833408 /nfs/dbraw/zinc/83/34/08/1114833408.db2.gz RHZAIFHJNBTYQT-VQIMIIECSA-N 2 2 346.475 2.000 10 30 EEEELP CCC[N@H+](C)CC(=O)N[C@H]1CC[NH+](CC#Cc2cccc(Cl)c2)C1 ZINC001567882430 1124155436 /nfs/dbraw/zinc/15/54/36/1124155436.db2.gz DCRYXTUIQDKWCB-SFHVURJKSA-N 2 2 347.890 2.224 10 30 EEEELP CCC[N@@H+](C)CC(=O)N[C@H]1CC[NH+](CC#Cc2cccc(Cl)c2)C1 ZINC001567882430 1124155440 /nfs/dbraw/zinc/15/54/40/1124155440.db2.gz DCRYXTUIQDKWCB-SFHVURJKSA-N 2 2 347.890 2.224 10 30 EEEELP CCC[NH+](C)CC(=O)N[C@H]1CC[N@H+](CC#Cc2cccc(Cl)c2)C1 ZINC001567882430 1124155444 /nfs/dbraw/zinc/15/54/44/1124155444.db2.gz DCRYXTUIQDKWCB-SFHVURJKSA-N 2 2 347.890 2.224 10 30 EEEELP CCC[NH+](C)CC(=O)N[C@H]1CC[N@@H+](CC#Cc2cccc(Cl)c2)C1 ZINC001567882430 1124155447 /nfs/dbraw/zinc/15/54/47/1124155447.db2.gz DCRYXTUIQDKWCB-SFHVURJKSA-N 2 2 347.890 2.224 10 30 EEEELP C#CCC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001568532370 1124595433 /nfs/dbraw/zinc/59/54/33/1124595433.db2.gz DFVUEBRVFROSQO-MJGOQNOKSA-N 2 2 336.439 2.384 10 30 EEEELP C[C@H](CC[NH2+]CC#Cc1ccccc1)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001568643457 1124656242 /nfs/dbraw/zinc/65/62/42/1124656242.db2.gz DDBXHSRFUCYQBZ-KBAYOESNSA-N 2 2 336.439 2.049 10 30 EEEELP C[C@H](CC[NH2+]CC#Cc1ccccc1)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001568643457 1124656243 /nfs/dbraw/zinc/65/62/43/1124656243.db2.gz DDBXHSRFUCYQBZ-KBAYOESNSA-N 2 2 336.439 2.049 10 30 EEEELP C[C@@H](CC[NH2+]Cc1ccc(C#N)s1)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001568682638 1124695051 /nfs/dbraw/zinc/69/50/51/1124695051.db2.gz OIXVAEDOYAHUJY-KBPBESRZSA-N 2 2 345.472 2.452 10 30 EEEELP C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000292040778 238181445 /nfs/dbraw/zinc/18/14/45/238181445.db2.gz ALROQBVDEJKMTF-XLIONFOSSA-N 2 2 340.471 2.349 10 30 EEEELP C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000292040778 238181448 /nfs/dbraw/zinc/18/14/48/238181448.db2.gz ALROQBVDEJKMTF-XLIONFOSSA-N 2 2 340.471 2.349 10 30 EEEELP C[C@H](C(=O)N(CCC#N)c1ccccc1)[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000292040778 238181450 /nfs/dbraw/zinc/18/14/50/238181450.db2.gz ALROQBVDEJKMTF-XLIONFOSSA-N 2 2 340.471 2.349 10 30 EEEELP C[C@H](C(=O)N(CCC#N)c1ccccc1)[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000292040778 238181453 /nfs/dbraw/zinc/18/14/53/238181453.db2.gz ALROQBVDEJKMTF-XLIONFOSSA-N 2 2 340.471 2.349 10 30 EEEELP COc1c[nH+]ccc1N1CC[NH+](Cc2ccc(C#N)cc2F)CC1 ZINC000355644525 163258351 /nfs/dbraw/zinc/25/83/51/163258351.db2.gz AHPWCAXMKFIULN-UHFFFAOYSA-N 2 2 326.375 2.423 10 30 EEEELP Cc1cn2c([nH+]1)[C@@H](CNC(=O)N1CC[C@H]3CC[C@@H](C1)[N@H+]3C)CCC2 ZINC000328659890 465092501 /nfs/dbraw/zinc/09/25/01/465092501.db2.gz UJDLHDUISMVNEQ-OAGGEKHMSA-N 2 2 331.464 2.151 10 30 EEEELP C#CCCCCNC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000151320963 463513318 /nfs/dbraw/zinc/51/33/18/463513318.db2.gz VDLYVGKGVQCPFQ-UHFFFAOYSA-N 2 2 334.508 2.039 10 30 EEEELP Cn1cc(C[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)c(-c2ccc(C#N)cc2)n1 ZINC000377719975 467125597 /nfs/dbraw/zinc/12/55/97/467125597.db2.gz IMGHIJPXCSWGOJ-MRXNPFEDSA-N 2 2 332.411 2.329 10 30 EEEELP Cn1cc(C[NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)c(-c2ccc(C#N)cc2)n1 ZINC000377719975 467125601 /nfs/dbraw/zinc/12/56/01/467125601.db2.gz IMGHIJPXCSWGOJ-MRXNPFEDSA-N 2 2 332.411 2.329 10 30 EEEELP CC1([NH+]2CCOCC2)CC[NH+](CCOc2ccccc2C#N)CC1 ZINC000528726932 467740708 /nfs/dbraw/zinc/74/07/08/467740708.db2.gz HJWRTDIQLKVCKC-UHFFFAOYSA-N 2 2 329.444 2.124 10 30 EEEELP C[C@H]([NH2+]C[C@H](O)CC1(C#N)CCOCC1)[C@@H](c1ccccc1)[NH+](C)C ZINC000600737455 468643232 /nfs/dbraw/zinc/64/32/32/468643232.db2.gz WOEUDAAPZCGIHD-UHOSZYNNSA-N 2 2 345.487 2.339 10 30 EEEELP C[N@@H+]1CCN(Cc2ccccc2)[C@H](C[NH2+][C@@H]2CCC[C@@H](C#N)C2)C1 ZINC000595099468 468758160 /nfs/dbraw/zinc/75/81/60/468758160.db2.gz MJKYEOQMSRJDAH-VAMGGRTRSA-N 2 2 326.488 2.475 10 30 EEEELP C[N@H+]1CCN(Cc2ccccc2)[C@H](C[NH2+][C@@H]2CCC[C@@H](C#N)C2)C1 ZINC000595099468 468758165 /nfs/dbraw/zinc/75/81/65/468758165.db2.gz MJKYEOQMSRJDAH-VAMGGRTRSA-N 2 2 326.488 2.475 10 30 EEEELP C=CC[C@H]1CC[C@@H]([NH2+]CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000651692541 471085581 /nfs/dbraw/zinc/08/55/81/471085581.db2.gz JEWIZHGNQRGDSD-ZWKOTPCHSA-N 2 2 342.487 2.455 10 30 EEEELP C#CC[NH+]1CCN(C(=O)C[N@H+]2CC[C@H](C)C[C@H]2c2ccc(C)o2)CC1 ZINC000748823841 577967684 /nfs/dbraw/zinc/96/76/84/577967684.db2.gz YGIOTYPYKMVWOK-WMZOPIPTSA-N 2 2 343.471 2.138 10 30 EEEELP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CC[C@H](C)C[C@H]2c2ccc(C)o2)CC1 ZINC000748823841 577967685 /nfs/dbraw/zinc/96/76/85/577967685.db2.gz YGIOTYPYKMVWOK-WMZOPIPTSA-N 2 2 343.471 2.138 10 30 EEEELP C=CCC[N@H+]1C[C@@H]2CC[C@H](NC(=O)CCc3c[nH+]cn3C)C[C@@H]2C1 ZINC001485656418 1191874660 /nfs/dbraw/zinc/87/46/60/1191874660.db2.gz CSUZQIBYEVYYMB-BBWFWOEESA-N 2 2 330.476 2.146 10 30 EEEELP C=CCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)CCc3c[nH+]cn3C)C[C@@H]2C1 ZINC001485656418 1191874662 /nfs/dbraw/zinc/87/46/62/1191874662.db2.gz CSUZQIBYEVYYMB-BBWFWOEESA-N 2 2 330.476 2.146 10 30 EEEELP C=CCC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC001691244784 1177763349 /nfs/dbraw/zinc/76/33/49/1177763349.db2.gz BBYGKTPYIFZDNC-SCTDSRPQSA-N 2 2 349.519 2.080 10 30 EEEELP C=CCC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2COCC[N@H+]2C2CCCC2)C1 ZINC001691244784 1177763352 /nfs/dbraw/zinc/76/33/52/1177763352.db2.gz BBYGKTPYIFZDNC-SCTDSRPQSA-N 2 2 349.519 2.080 10 30 EEEELP C=CCCC[N@@H+]1CC[C@@H](CCNC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001267557875 1179357004 /nfs/dbraw/zinc/35/70/04/1179357004.db2.gz OBXVSXDCYHOHPG-SJORKVTESA-N 2 2 330.476 2.240 10 30 EEEELP C=CCCC[N@H+]1CC[C@@H](CCNC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001267557875 1179357013 /nfs/dbraw/zinc/35/70/13/1179357013.db2.gz OBXVSXDCYHOHPG-SJORKVTESA-N 2 2 330.476 2.240 10 30 EEEELP CC#CC[NH2+]C[C@H](NC(=O)CCc1c[nH+]cn1C)C1CCCCC1 ZINC001482414446 1185651194 /nfs/dbraw/zinc/65/11/94/1185651194.db2.gz UTIQQVOZFFNCRN-SFHVURJKSA-N 2 2 330.476 2.031 10 30 EEEELP C=CCCC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3CCc4[nH+]ccn4C3)[C@@H]2C1 ZINC001272078772 1187416585 /nfs/dbraw/zinc/41/65/85/1187416585.db2.gz RIMNJDHCBZDZON-RCCFBDPRSA-N 2 2 342.487 2.335 10 30 EEEELP C=CCCC[N@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3CCc4[nH+]ccn4C3)[C@@H]2C1 ZINC001272078772 1187416588 /nfs/dbraw/zinc/41/65/88/1187416588.db2.gz RIMNJDHCBZDZON-RCCFBDPRSA-N 2 2 342.487 2.335 10 30 EEEELP C[C@@H](CC(=O)N(C)CCC[NH2+]Cc1ccc(C#N)cc1)n1cc[nH+]c1 ZINC001483494539 1190511337 /nfs/dbraw/zinc/51/13/37/1190511337.db2.gz OGBKWCWEGOERKV-INIZCTEOSA-N 2 2 339.443 2.344 10 30 EEEELP C#CCC[NH+]1CCC2(CCN(C(=O)CCCn3cc[nH+]c3)C2)CC1 ZINC001483837372 1191088147 /nfs/dbraw/zinc/08/81/47/1191088147.db2.gz FLYJHDZFOGEZNK-UHFFFAOYSA-N 2 2 328.460 2.001 10 30 EEEELP C=CC[NH2+][C@@H](CCN(C)C(=O)Cc1cn2c([nH+]1)CCCC2)C(C)C ZINC001485435640 1191784082 /nfs/dbraw/zinc/78/40/82/1191784082.db2.gz YKNORBLLLQTABB-KRWDZBQOSA-N 2 2 332.492 2.411 10 30 EEEELP C#CC[C@@H]1CC[N@H+](Cc2ccc(OCC[NH+]3CCOCC3)cc2)C1 ZINC000877651063 1200007083 /nfs/dbraw/zinc/00/70/83/1200007083.db2.gz RIDNICTVOWEEDL-GOSISDBHSA-N 2 2 328.456 2.243 10 30 EEEELP C#CC[C@@H]1CC[N@@H+](Cc2ccc(OCC[NH+]3CCOCC3)cc2)C1 ZINC000877651063 1200007091 /nfs/dbraw/zinc/00/70/91/1200007091.db2.gz RIDNICTVOWEEDL-GOSISDBHSA-N 2 2 328.456 2.243 10 30 EEEELP C=CCOCC[N@@H+](C)C[C@H]1CCCN1C(=O)c1cccc2[nH+]ccn21 ZINC001275127953 1205263153 /nfs/dbraw/zinc/26/31/53/1205263153.db2.gz CMZOOIQXOOXDEZ-MRXNPFEDSA-N 2 2 342.443 2.073 10 30 EEEELP C=CCOCC[N@H+](C)C[C@H]1CCCN1C(=O)c1cccc2[nH+]ccn21 ZINC001275127953 1205263155 /nfs/dbraw/zinc/26/31/55/1205263155.db2.gz CMZOOIQXOOXDEZ-MRXNPFEDSA-N 2 2 342.443 2.073 10 30 EEEELP C=CCC[NH2+][C@@H](CCN(C)C(=O)[C@@H]1CCn2cc[nH+]c2C1)C(C)C ZINC001276128303 1205789659 /nfs/dbraw/zinc/78/96/59/1205789659.db2.gz CMVDLEQSSRAQNC-SJORKVTESA-N 2 2 332.492 2.484 10 30 EEEELP COCC#CC[NH2+]C[C@@]1(C)CCN(C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001278523104 1317136367 /nfs/dbraw/zinc/13/63/67/1317136367.db2.gz CAOFLAXSIDKCEY-HXUWFJFHSA-N 2 2 343.471 2.098 10 30 EEEELP C=C(C)CC[NH2+][C@H]1C[C@H](CNC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001263863370 1322540970 /nfs/dbraw/zinc/54/09/70/1322540970.db2.gz PIGCWBJONCLLGX-WKILWMFISA-N 2 2 330.476 2.213 10 30 EEEELP C[NH+](C)C1(C(=O)N[C@@H]2CCC[N@H+](CC#Cc3ccccc3)C2)CCC1 ZINC001265216620 1322989879 /nfs/dbraw/zinc/98/98/79/1322989879.db2.gz NHEKVVSBSSLBRF-LJQANCHMSA-N 2 2 339.483 2.103 10 30 EEEELP C[NH+](C)C1(C(=O)N[C@@H]2CCC[N@@H+](CC#Cc3ccccc3)C2)CCC1 ZINC001265216620 1322989882 /nfs/dbraw/zinc/98/98/82/1322989882.db2.gz NHEKVVSBSSLBRF-LJQANCHMSA-N 2 2 339.483 2.103 10 30 EEEELP C=CCCC[N@@H+]1C[C@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)C(C)(C)C1 ZINC001276593079 1324684367 /nfs/dbraw/zinc/68/43/67/1324684367.db2.gz FVWNPJHHFVMXHJ-RDJZCZTQSA-N 2 2 330.476 2.238 10 30 EEEELP C=CCCC[N@H+]1C[C@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)C(C)(C)C1 ZINC001276593079 1324684373 /nfs/dbraw/zinc/68/43/73/1324684373.db2.gz FVWNPJHHFVMXHJ-RDJZCZTQSA-N 2 2 330.476 2.238 10 30 EEEELP C=CCCC[NH2+]C1(C)CCN(C(=O)C(C)(C)[NH+]2CCOCC2)CC1 ZINC001281519182 1325213424 /nfs/dbraw/zinc/21/34/24/1325213424.db2.gz KMPWOHKTFXMORD-UHFFFAOYSA-N 2 2 337.508 2.034 10 30 EEEELP C=CCCC[N@H+]1CC[C@@H]2CN(C(=O)CCc3c[nH+]cn3C)C[C@@H]2C1 ZINC001316761953 1331877997 /nfs/dbraw/zinc/87/79/97/1331877997.db2.gz WCCAZMHLTVSTJX-SJORKVTESA-N 2 2 330.476 2.099 10 30 EEEELP C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)CCc3c[nH+]cn3C)C[C@@H]2C1 ZINC001316761953 1331878000 /nfs/dbraw/zinc/87/80/00/1331878000.db2.gz WCCAZMHLTVSTJX-SJORKVTESA-N 2 2 330.476 2.099 10 30 EEEELP C=C(C)CC[NH2+][C@H](C)CCNC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC001317403977 1332216075 /nfs/dbraw/zinc/21/60/75/1332216075.db2.gz JGGHWFVJCAEQDQ-SJLPKXTDSA-N 2 2 337.508 2.080 10 30 EEEELP C=C(C)CC[NH2+][C@H](C)CCNC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC001317403977 1332216078 /nfs/dbraw/zinc/21/60/78/1332216078.db2.gz JGGHWFVJCAEQDQ-SJLPKXTDSA-N 2 2 337.508 2.080 10 30 EEEELP C=C(C)CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001317841539 1332428518 /nfs/dbraw/zinc/42/85/18/1332428518.db2.gz DSZKYURKVFRGEJ-IRXDYDNUSA-N 2 2 330.476 2.192 10 30 EEEELP C=C(C)CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001317841539 1332428519 /nfs/dbraw/zinc/42/85/19/1332428519.db2.gz DSZKYURKVFRGEJ-IRXDYDNUSA-N 2 2 330.476 2.192 10 30 EEEELP C=C(C)C[NH2+]CC[C@@H]1CCCCN1C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001319764910 1332762176 /nfs/dbraw/zinc/76/21/76/1332762176.db2.gz GELWFHGQCJTMJQ-SJORKVTESA-N 2 2 330.476 2.382 10 30 EEEELP C=C(Cl)C[N@H+]1CC=C(CNC(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001333457713 1336051034 /nfs/dbraw/zinc/05/10/34/1336051034.db2.gz LIWHTKGJWATBBT-HUUCEWRRSA-N 2 2 325.884 2.360 10 30 EEEELP C=C(Br)C[NH+](C)CCCNC(=O)[C@H]1CCCC[N@H+]1CC ZINC001479816691 1337399645 /nfs/dbraw/zinc/39/96/45/1337399645.db2.gz XBOZOFHVYKDYTJ-CQSZACIVSA-N 2 2 346.313 2.208 10 30 EEEELP C=C(Br)C[NH+](C)CCCNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001479816691 1337399649 /nfs/dbraw/zinc/39/96/49/1337399649.db2.gz XBOZOFHVYKDYTJ-CQSZACIVSA-N 2 2 346.313 2.208 10 30 EEEELP C=C(Br)C[N@H+](C)CCCNC(=O)[C@H]1CCCC[NH+]1CC ZINC001479816691 1337399654 /nfs/dbraw/zinc/39/96/54/1337399654.db2.gz XBOZOFHVYKDYTJ-CQSZACIVSA-N 2 2 346.313 2.208 10 30 EEEELP C=C(C)CC[NH2+][C@H]1CN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1(C)C ZINC001507438867 1342320730 /nfs/dbraw/zinc/32/07/30/1342320730.db2.gz CUJOQTMDGRTWFH-WBVHZDCISA-N 2 2 330.476 2.238 10 30 EEEELP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CC/C=C/CC)[C@@H]1CC ZINC001656717297 1354267650 /nfs/dbraw/zinc/26/76/50/1354267650.db2.gz SUPGGONJRZESST-BKFNIVOESA-N 2 2 331.504 2.409 10 30 EEEELP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CC/C=C/CC)[C@@H]1CC ZINC001656717297 1354267653 /nfs/dbraw/zinc/26/76/53/1354267653.db2.gz SUPGGONJRZESST-BKFNIVOESA-N 2 2 331.504 2.409 10 30 EEEELP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CC/C=C/CC)[C@@H]1CC ZINC001656717297 1354267656 /nfs/dbraw/zinc/26/76/56/1354267656.db2.gz SUPGGONJRZESST-BKFNIVOESA-N 2 2 331.504 2.409 10 30 EEEELP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CC/C=C/CC)[C@@H]1CC ZINC001656717297 1354267659 /nfs/dbraw/zinc/26/76/59/1354267659.db2.gz SUPGGONJRZESST-BKFNIVOESA-N 2 2 331.504 2.409 10 30 EEEELP C=C(C)C[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC001661813965 1354701674 /nfs/dbraw/zinc/70/16/74/1354701674.db2.gz IPHFLLQHFXFFLA-HKUYNNGSSA-N 2 2 349.519 2.034 10 30 EEEELP C=C(C)C[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2COCC[N@H+]2C2CCCC2)C1 ZINC001661813965 1354701679 /nfs/dbraw/zinc/70/16/79/1354701679.db2.gz IPHFLLQHFXFFLA-HKUYNNGSSA-N 2 2 349.519 2.034 10 30 EEEELP C=CCC[N@@H+]1CCC[C@H]1CCCNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001663085495 1354909882 /nfs/dbraw/zinc/90/98/82/1354909882.db2.gz HSRXWFUILOVPLF-DLBZAZTESA-N 2 2 330.476 2.382 10 30 EEEELP C=CCC[N@H+]1CCC[C@H]1CCCNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001663085495 1354909887 /nfs/dbraw/zinc/90/98/87/1354909887.db2.gz HSRXWFUILOVPLF-DLBZAZTESA-N 2 2 330.476 2.382 10 30 EEEELP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC[N@H+]1CC/C=C/CCC ZINC001663502836 1354974354 /nfs/dbraw/zinc/97/43/54/1354974354.db2.gz ITXXLEZSJCMSBK-KAGICYHLSA-N 2 2 331.504 2.411 10 30 EEEELP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+]1CC/C=C/CCC ZINC001663502836 1354974358 /nfs/dbraw/zinc/97/43/58/1354974358.db2.gz ITXXLEZSJCMSBK-KAGICYHLSA-N 2 2 331.504 2.411 10 30 EEEELP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC[NH+]1CC/C=C/CCC ZINC001663502836 1354974359 /nfs/dbraw/zinc/97/43/59/1354974359.db2.gz ITXXLEZSJCMSBK-KAGICYHLSA-N 2 2 331.504 2.411 10 30 EEEELP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC[NH+]1CC/C=C/CCC ZINC001663502836 1354974362 /nfs/dbraw/zinc/97/43/62/1354974362.db2.gz ITXXLEZSJCMSBK-KAGICYHLSA-N 2 2 331.504 2.411 10 30 EEEELP C#CCC[NH2+]C[C@@]1(NC(=O)CCc2c[nH+]cn2C)CCCC[C@@H]1C ZINC001666067175 1355438297 /nfs/dbraw/zinc/43/82/97/1355438297.db2.gz CRVNYILDBWPTBA-LPHOPBHVSA-N 2 2 330.476 2.031 10 30 EEEELP C#CC[NH2+]C1(CC)CCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC001673606785 1355978712 /nfs/dbraw/zinc/97/87/12/1355978712.db2.gz UMIFOOVJXRWSQI-UHFFFAOYSA-N 2 2 336.439 2.480 10 30 EEEELP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](C/C=C/Cl)CC1(C)C ZINC000940811187 779355072 /nfs/dbraw/zinc/35/50/72/779355072.db2.gz BSTILCZKORATKA-MYNUTGAYSA-N 2 2 337.895 2.053 10 30 EEEELP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](C/C=C/Cl)CC1(C)C ZINC000940811187 779355079 /nfs/dbraw/zinc/35/50/79/779355079.db2.gz BSTILCZKORATKA-MYNUTGAYSA-N 2 2 337.895 2.053 10 30 EEEELP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](C/C=C/Cl)CC1(C)C ZINC000940811187 779355083 /nfs/dbraw/zinc/35/50/83/779355083.db2.gz BSTILCZKORATKA-MYNUTGAYSA-N 2 2 337.895 2.053 10 30 EEEELP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](C/C=C/Cl)CC1(C)C ZINC000940811187 779355086 /nfs/dbraw/zinc/35/50/86/779355086.db2.gz BSTILCZKORATKA-MYNUTGAYSA-N 2 2 337.895 2.053 10 30 EEEELP C=CCCC[NH+]1CCC(N(C)C(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC001479890090 1099265256 /nfs/dbraw/zinc/26/52/56/1099265256.db2.gz YTNPXWBOMXNTHO-MRXNPFEDSA-N 2 2 330.476 2.335 10 30 EEEELP C=CCC[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cccc3[nH+]ccn32)CCO1 ZINC001502065025 1113575449 /nfs/dbraw/zinc/57/54/49/1113575449.db2.gz WRDZNUYQBHRGII-HZPDHXFCSA-N 2 2 342.443 2.120 10 30 EEEELP C=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1)O2 ZINC001502443088 1113686348 /nfs/dbraw/zinc/68/63/48/1113686348.db2.gz LDLUWEKJMCRAOT-QZTJIDSGSA-N 2 2 349.519 2.033 10 30 EEEELP CC#CC[N@H+]1CC[C@H](N(CC)C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001567938547 1124193939 /nfs/dbraw/zinc/19/39/39/1124193939.db2.gz HPIXVDIXBILNAE-ZWKOTPCHSA-N 2 2 330.476 2.416 10 30 EEEELP CC#CC[N@@H+]1CC[C@H](N(CC)C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001567938547 1124193940 /nfs/dbraw/zinc/19/39/40/1124193940.db2.gz HPIXVDIXBILNAE-ZWKOTPCHSA-N 2 2 330.476 2.416 10 30 EEEELP C=C(C)C[NH2+]Cc1ccc(CNC(=O)CCc2[nH+]ccn2C)cc1 ZINC001568119262 1124313073 /nfs/dbraw/zinc/31/30/73/1124313073.db2.gz YDXCKCUPPCCVLH-UHFFFAOYSA-N 2 2 326.444 2.335 10 30 EEEELP C=C(C)C[NH2+]C1(CNC(=O)c2cc([C@@H]3CCC[N@H+]3C)n[nH]2)CCCC1 ZINC001568235906 1124378495 /nfs/dbraw/zinc/37/84/95/1124378495.db2.gz WSVFQMYAOLQNQJ-KRWDZBQOSA-N 2 2 345.491 2.385 10 30 EEEELP C=C(C)C[NH2+]C1(CNC(=O)c2cc([C@@H]3CCC[N@@H+]3C)n[nH]2)CCCC1 ZINC001568235906 1124378500 /nfs/dbraw/zinc/37/85/00/1124378500.db2.gz WSVFQMYAOLQNQJ-KRWDZBQOSA-N 2 2 345.491 2.385 10 30 EEEELP C[C@H](CC(=O)N[C@@H](C)CC[NH2+]Cc1ccccc1C#N)n1cc[nH+]c1 ZINC001568682906 1124695182 /nfs/dbraw/zinc/69/51/82/1124695182.db2.gz RIMFZPXBEPCGLT-JKSUJKDBSA-N 2 2 339.443 2.390 10 30 EEEELP N#Cc1cnccc1C[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000592103217 468625512 /nfs/dbraw/zinc/62/55/12/468625512.db2.gz WNRYOXANCSTLJV-UHFFFAOYSA-N 2 2 328.460 2.278 10 30 EEEELP C[C@H](C[N@H+](C)Cc1ccccc1)[NH2+]C[C@@H](O)CC1(C#N)CCOCC1 ZINC000600731193 468640002 /nfs/dbraw/zinc/64/00/02/468640002.db2.gz KGKPQAVCEMFAIS-MJGOQNOKSA-N 2 2 345.487 2.168 10 30 EEEELP C[C@H](C[N@@H+](C)Cc1ccccc1)[NH2+]C[C@@H](O)CC1(C#N)CCOCC1 ZINC000600731193 468640006 /nfs/dbraw/zinc/64/00/06/468640006.db2.gz KGKPQAVCEMFAIS-MJGOQNOKSA-N 2 2 345.487 2.168 10 30 EEEELP C#CCN(C(=O)Cc1c[nH+]cn1C)C1CC[NH+](CCC(C)(C)C)CC1 ZINC001671504171 1176861223 /nfs/dbraw/zinc/86/12/23/1176861223.db2.gz QPYOFKTZFNFNHY-UHFFFAOYSA-N 2 2 344.503 2.325 10 30 EEEELP C=C(C)C[N@H+]1CCC[C@@H]([C@H](C)NC(=O)Cc2c[nH+]ccc2OC)C1 ZINC001266892485 1177730542 /nfs/dbraw/zinc/73/05/42/1177730542.db2.gz VWDUWLCSLOLKOM-JKSUJKDBSA-N 2 2 331.460 2.426 10 30 EEEELP C=C(C)C[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)Cc2c[nH+]ccc2OC)C1 ZINC001266892485 1177730546 /nfs/dbraw/zinc/73/05/46/1177730546.db2.gz VWDUWLCSLOLKOM-JKSUJKDBSA-N 2 2 331.460 2.426 10 30 EEEELP C=CCC[C@H](C)[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001691450031 1178843175 /nfs/dbraw/zinc/84/31/75/1178843175.db2.gz FPYBWTKWAOXAJU-MWDXBVQZSA-N 2 2 330.476 2.285 10 30 EEEELP CC[N@H+](C)CCC(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2CC#Cc1ccccc1 ZINC001267432566 1179001144 /nfs/dbraw/zinc/00/11/44/1179001144.db2.gz SIBWOBCPVFFWIL-BGYRXZFFSA-N 2 2 339.483 2.055 10 30 EEEELP CC[N@@H+](C)CCC(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2CC#Cc1ccccc1 ZINC001267432566 1179001152 /nfs/dbraw/zinc/00/11/52/1179001152.db2.gz SIBWOBCPVFFWIL-BGYRXZFFSA-N 2 2 339.483 2.055 10 30 EEEELP CC[NH+](C)CCC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC#Cc1ccccc1 ZINC001267432566 1179001159 /nfs/dbraw/zinc/00/11/59/1179001159.db2.gz SIBWOBCPVFFWIL-BGYRXZFFSA-N 2 2 339.483 2.055 10 30 EEEELP CC[NH+](C)CCC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC#Cc1ccccc1 ZINC001267432566 1179001165 /nfs/dbraw/zinc/00/11/65/1179001165.db2.gz SIBWOBCPVFFWIL-BGYRXZFFSA-N 2 2 339.483 2.055 10 30 EEEELP C=CCC[NH2+][C@H](CNC(=O)[C@H]1CCn2cc[nH+]c2C1)c1ccccc1 ZINC001267520087 1179247478 /nfs/dbraw/zinc/24/74/78/1179247478.db2.gz IXYXXEUQWWFHLX-ZWKOTPCHSA-N 2 2 338.455 2.469 10 30 EEEELP C[C@H](CC[NH2+]CC#Cc1ccccc1)NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001268404700 1182514624 /nfs/dbraw/zinc/51/46/24/1182514624.db2.gz JRYWSHODQWFSTB-DLBZAZTESA-N 2 2 338.455 2.124 10 30 EEEELP C[C@H](CC[NH2+]CC#Cc1ccccc1)NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001268404700 1182514628 /nfs/dbraw/zinc/51/46/28/1182514628.db2.gz JRYWSHODQWFSTB-DLBZAZTESA-N 2 2 338.455 2.124 10 30 EEEELP C#CC[NH+]1CCC(CCNC(=O)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC001482047639 1183228299 /nfs/dbraw/zinc/22/82/99/1183228299.db2.gz ZUPIZFQYSIKXJZ-UHFFFAOYSA-N 2 2 336.439 2.337 10 30 EEEELP C[NH+](C)CCCCC(=O)NC[C@H]1CC[N@@H+]1Cc1ccc(C#N)c(F)c1 ZINC001269330853 1184178514 /nfs/dbraw/zinc/17/85/14/1184178514.db2.gz FZQOGIYDFFJXJQ-QGZVFWFLSA-N 2 2 346.450 2.120 10 30 EEEELP C[NH+](C)CCCCC(=O)NC[C@H]1CC[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC001269330853 1184178516 /nfs/dbraw/zinc/17/85/16/1184178516.db2.gz FZQOGIYDFFJXJQ-QGZVFWFLSA-N 2 2 346.450 2.120 10 30 EEEELP C#CCN(C(=O)[C@@H]1CCn2c[nH+]cc2C1)C1CC[NH+](CC(C)C)CC1 ZINC001270321178 1185013210 /nfs/dbraw/zinc/01/32/10/1185013210.db2.gz OQHJBCFLLWWDIG-QGZVFWFLSA-N 2 2 342.487 2.028 10 30 EEEELP C#CCN(C(=O)CCc1[nH+]ccn1C)C1CC[NH+](CCC(=C)C)CC1 ZINC001483985860 1191142887 /nfs/dbraw/zinc/14/28/87/1191142887.db2.gz MNUWVSVJEHRSRO-UHFFFAOYSA-N 2 2 342.487 2.245 10 30 EEEELP C#CCN(C(=O)Cc1[nH]cc[nH+]1)C1CC[NH+]([C@H](C)CCC=C)CC1 ZINC001483988704 1191144258 /nfs/dbraw/zinc/14/42/58/1191144258.db2.gz KQPAPGZLRYEQKV-MRXNPFEDSA-N 2 2 328.460 2.233 10 30 EEEELP C=C(C)C[NH2+]C[C@H](NC(=O)[C@@H]1CCc2c[nH+]cn2C1)C1CCCC1 ZINC001484002948 1191151821 /nfs/dbraw/zinc/15/18/21/1191151821.db2.gz LMWJHXTVXFIRHC-AEFFLSMTSA-N 2 2 330.476 2.286 10 30 EEEELP CC#CC[NH2+]C1(CC)CCN(C(=O)Cc2cn3c([nH+]2)CCCC3)CC1 ZINC001484812252 1191533194 /nfs/dbraw/zinc/53/31/94/1191533194.db2.gz QPZRPNPYOCXWNH-UHFFFAOYSA-N 2 2 342.487 2.146 10 30 EEEELP C#CCC[N@H+]1Cc2ccc(CNC(=O)CCc3[nH+]ccn3C)cc2C1 ZINC001484873998 1191558089 /nfs/dbraw/zinc/55/80/89/1191558089.db2.gz MHDLDEWRFLVNSE-UHFFFAOYSA-N 2 2 336.439 2.008 10 30 EEEELP C#CCC[N@@H+]1Cc2ccc(CNC(=O)CCc3[nH+]ccn3C)cc2C1 ZINC001484873998 1191558091 /nfs/dbraw/zinc/55/80/91/1191558091.db2.gz MHDLDEWRFLVNSE-UHFFFAOYSA-N 2 2 336.439 2.008 10 30 EEEELP C=C(C)CC[NH2+]CC(C)(C)CN(C)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001485255342 1191712892 /nfs/dbraw/zinc/71/28/92/1191712892.db2.gz DUPLWCIKWNYPHK-INIZCTEOSA-N 2 2 332.492 2.486 10 30 EEEELP C=C(C)CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001277663140 1304120411 /nfs/dbraw/zinc/12/04/11/1304120411.db2.gz SMYXRTSYTYLULH-IRXDYDNUSA-N 2 2 330.476 2.238 10 30 EEEELP C=CCC[NH2+]C[C@@H]1CN(C(=O)Cc2cn3c([nH+]2)CCCC3)C[C@@H]1C ZINC001279101986 1319268680 /nfs/dbraw/zinc/26/86/80/1319268680.db2.gz BIGKYQLENIBYGT-JKSUJKDBSA-N 2 2 330.476 2.022 10 30 EEEELP C=CCn1c([C@H]2CCCC[NH+]2C)nnc1N1CCC[N@@H+](CC)CC1 ZINC001262948734 1322402905 /nfs/dbraw/zinc/40/29/05/1322402905.db2.gz VJKYGXBAXIGXPK-MRXNPFEDSA-N 2 2 332.496 2.153 10 30 EEEELP C=CCn1c([C@H]2CCCC[NH+]2C)nnc1N1CCC[N@H+](CC)CC1 ZINC001262948734 1322402906 /nfs/dbraw/zinc/40/29/06/1322402906.db2.gz VJKYGXBAXIGXPK-MRXNPFEDSA-N 2 2 332.496 2.153 10 30 EEEELP C=CCn1c([C@H]2CCCC[N@@H+]2C)nnc1N1CCC[NH+](CC)CC1 ZINC001262948734 1322402911 /nfs/dbraw/zinc/40/29/11/1322402911.db2.gz VJKYGXBAXIGXPK-MRXNPFEDSA-N 2 2 332.496 2.153 10 30 EEEELP C=CCn1c([C@H]2CCCC[N@H+]2C)nnc1N1CCC[NH+](CC)CC1 ZINC001262948734 1322402915 /nfs/dbraw/zinc/40/29/15/1322402915.db2.gz VJKYGXBAXIGXPK-MRXNPFEDSA-N 2 2 332.496 2.153 10 30 EEEELP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](CCCC(C)(C)C)C1 ZINC001265217243 1322990921 /nfs/dbraw/zinc/99/09/21/1322990921.db2.gz SUTVQKBCRIEGMS-ROUUACIJSA-N 2 2 333.520 2.491 10 30 EEEELP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCC[N@H+](CCCC(C)(C)C)C1 ZINC001265217243 1322990923 /nfs/dbraw/zinc/99/09/23/1322990923.db2.gz SUTVQKBCRIEGMS-ROUUACIJSA-N 2 2 333.520 2.491 10 30 EEEELP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCC[NH+](CCCC(C)(C)C)C1 ZINC001265217243 1322990927 /nfs/dbraw/zinc/99/09/27/1322990927.db2.gz SUTVQKBCRIEGMS-ROUUACIJSA-N 2 2 333.520 2.491 10 30 EEEELP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCC[NH+](CCCC(C)(C)C)C1 ZINC001265217243 1322990929 /nfs/dbraw/zinc/99/09/29/1322990929.db2.gz SUTVQKBCRIEGMS-ROUUACIJSA-N 2 2 333.520 2.491 10 30 EEEELP C=CCC[N@@H+]1CCC[C@H]1CCCNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001266223439 1323797099 /nfs/dbraw/zinc/79/70/99/1323797099.db2.gz QHZJVQSBMUNHMZ-DLBZAZTESA-N 2 2 330.476 2.382 10 30 EEEELP C=CCC[N@H+]1CCC[C@H]1CCCNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001266223439 1323797110 /nfs/dbraw/zinc/79/71/10/1323797110.db2.gz QHZJVQSBMUNHMZ-DLBZAZTESA-N 2 2 330.476 2.382 10 30 EEEELP CC#CC[NH2+]CCCN(Cc1ccccc1)C(=O)Cc1[nH]c[nH+]c1C ZINC001283350712 1326024523 /nfs/dbraw/zinc/02/45/23/1326024523.db2.gz KQOPOAVSAIDZHH-UHFFFAOYSA-N 2 2 338.455 2.292 10 30 EEEELP C=CCCC[NH2+][C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CC[C@@H]1C(F)(F)F ZINC001284738382 1326690226 /nfs/dbraw/zinc/69/02/26/1326690226.db2.gz YHPSSJPMFXFUGG-KBPBESRZSA-N 2 2 344.381 2.287 10 30 EEEELP C#CC[N@H+]1CCC[C@@H](N(Cc2ccccc2)C(=O)Cn2cc[nH+]c2)C1 ZINC001317865317 1332435460 /nfs/dbraw/zinc/43/54/60/1332435460.db2.gz GROZGKATOJYPPP-LJQANCHMSA-N 2 2 336.439 2.010 10 30 EEEELP C#CC[N@@H+]1CCC[C@@H](N(Cc2ccccc2)C(=O)Cn2cc[nH+]c2)C1 ZINC001317865317 1332435462 /nfs/dbraw/zinc/43/54/62/1332435462.db2.gz GROZGKATOJYPPP-LJQANCHMSA-N 2 2 336.439 2.010 10 30 EEEELP C=CCC[NH+]1CCC(CCNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001319031715 1332639980 /nfs/dbraw/zinc/63/99/80/1332639980.db2.gz OVLJQWUKPHWFHS-IAGOWNOFSA-N 2 2 330.476 2.318 10 30 EEEELP C#CCC[NH2+][C@H](C)[C@H]1CCCN(C(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001319805197 1332771820 /nfs/dbraw/zinc/77/18/20/1332771820.db2.gz HCEATIKHICPQSN-SJORKVTESA-N 2 2 342.487 2.002 10 30 EEEELP C=CCCC[NH+]1CCC2(CN(C(=O)[C@H]3CCc4c[nH+]cn4C3)C2)CC1 ZINC001326585990 1334119931 /nfs/dbraw/zinc/11/99/31/1334119931.db2.gz PRRZMSMDPVYSMH-KRWDZBQOSA-N 2 2 342.487 2.336 10 30 EEEELP C=CCC[NH+]1CCC(C2(NC(=O)CCc3c[nH+]cn3C)CC2)CC1 ZINC001333181295 1335977880 /nfs/dbraw/zinc/97/78/80/1335977880.db2.gz XBKCDNKNKJVYFJ-UHFFFAOYSA-N 2 2 330.476 2.290 10 30 EEEELP C#CCN(C(=O)[C@H]1CCc2c[nH+]cn2C1)C1CC[NH+](CCCC)CC1 ZINC001569588591 1342904276 /nfs/dbraw/zinc/90/42/76/1342904276.db2.gz KBJXMQXSWKXAAG-KRWDZBQOSA-N 2 2 342.487 2.172 10 30 EEEELP C=CCOCC[N@H+]1CCC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)[C@H]1C ZINC001676872178 1357226932 /nfs/dbraw/zinc/22/69/32/1357226932.db2.gz GMYJJXYRNCIMOL-ZBFHGGJFSA-N 2 2 342.443 2.348 10 30 EEEELP C=CCOCC[N@@H+]1CCC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)[C@H]1C ZINC001676872178 1357226936 /nfs/dbraw/zinc/22/69/36/1357226936.db2.gz GMYJJXYRNCIMOL-ZBFHGGJFSA-N 2 2 342.443 2.348 10 30 EEEELP CC(C)N(CC[N@H+](C)CC#Cc1ccccc1)C(=O)C[NH+]1CCCC1 ZINC001677219000 1357296779 /nfs/dbraw/zinc/29/67/79/1357296779.db2.gz JQIBFDJWQUBPKD-UHFFFAOYSA-N 2 2 341.499 2.303 10 30 EEEELP CC(C)N(CC[N@@H+](C)CC#Cc1ccccc1)C(=O)C[NH+]1CCCC1 ZINC001677219000 1357296782 /nfs/dbraw/zinc/29/67/82/1357296782.db2.gz JQIBFDJWQUBPKD-UHFFFAOYSA-N 2 2 341.499 2.303 10 30 EEEELP C#CC[NH2+]C1(CNC(=O)C2(C)CC2)CC[NH+](Cc2ccccc2)CC1 ZINC001677371040 1357322022 /nfs/dbraw/zinc/32/20/22/1357322022.db2.gz DDDQTBPAVANSBK-UHFFFAOYSA-N 2 2 339.483 2.160 10 30 EEEELP CC#CC[N@H+](C)[C@H]1CCCN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001662844187 1354862339 /nfs/dbraw/zinc/86/23/39/1354862339.db2.gz DUIRIPRJILTXGL-ROUUACIJSA-N 2 2 330.476 2.416 10 30 EEEELP CC#CC[N@@H+](C)[C@H]1CCCN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001662844187 1354862345 /nfs/dbraw/zinc/86/23/45/1354862345.db2.gz DUIRIPRJILTXGL-ROUUACIJSA-N 2 2 330.476 2.416 10 30 EEEELP C=CCC[N@@H+]1CCC[C@H]1CCCNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001663085496 1354909680 /nfs/dbraw/zinc/90/96/80/1354909680.db2.gz HSRXWFUILOVPLF-IAGOWNOFSA-N 2 2 330.476 2.382 10 30 EEEELP C=CCC[N@H+]1CCC[C@H]1CCCNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001663085496 1354909683 /nfs/dbraw/zinc/90/96/83/1354909683.db2.gz HSRXWFUILOVPLF-IAGOWNOFSA-N 2 2 330.476 2.382 10 30 EEEELP C=CCCC[NH2+]C[C@](C)(NC(=O)[C@@H]1CCc2c[nH+]cn2C1)C1CC1 ZINC001666004873 1355423198 /nfs/dbraw/zinc/42/31/98/1355423198.db2.gz KPJGEDUOCQNRRE-BEFAXECRSA-N 2 2 330.476 2.286 10 30 EEEELP C=CCCC[NH2+]C[C@]1(C)CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001699843580 1405522102 /nfs/dbraw/zinc/52/21/02/1405522102.db2.gz ZVVWDPSKNBIGOX-APWZRJJASA-N 2 2 330.476 2.240 10 30 EEEELP C[C@@H]([NH2+]Cc1ccc(C#N)cc1)[C@H](C)NC(=O)CCCn1cc[nH+]c1 ZINC001440847788 1094106076 /nfs/dbraw/zinc/10/60/76/1094106076.db2.gz HKVZZUOSOIQUHV-CVEARBPZSA-N 2 2 339.443 2.218 10 30 EEEELP C[C@@H](C[NH2+]Cc1ccc(C#N)s1)N(C)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001444630725 1099456696 /nfs/dbraw/zinc/45/66/96/1099456696.db2.gz WJOQTPUUWSCDIB-NILFDRSVSA-N 2 2 343.456 2.083 10 30 EEEELP C[C@@H](C[NH2+]Cc1ccc(C#N)s1)N(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001444630725 1099456707 /nfs/dbraw/zinc/45/67/07/1099456707.db2.gz WJOQTPUUWSCDIB-NILFDRSVSA-N 2 2 343.456 2.083 10 30 EEEELP C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H](F)C[NH+](CC)CC ZINC001480317291 1100052323 /nfs/dbraw/zinc/05/23/23/1100052323.db2.gz BBLYMWBAPKHTOA-CABCVRRESA-N 2 2 333.879 2.390 10 30 EEEELP C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H](F)C[NH+](CC)CC ZINC001480317291 1100052328 /nfs/dbraw/zinc/05/23/28/1100052328.db2.gz BBLYMWBAPKHTOA-CABCVRRESA-N 2 2 333.879 2.390 10 30 EEEELP C=C(C)CC[N@@H+]1CC[C@@H](CCNC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001494028219 1103383417 /nfs/dbraw/zinc/38/34/17/1103383417.db2.gz APEZVBCIWOALQV-SJORKVTESA-N 2 2 330.476 2.240 10 30 EEEELP C=C(C)CC[N@H+]1CC[C@@H](CCNC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001494028219 1103383427 /nfs/dbraw/zinc/38/34/27/1103383427.db2.gz APEZVBCIWOALQV-SJORKVTESA-N 2 2 330.476 2.240 10 30 EEEELP CC[C@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)[NH2+]Cc1cccc(C#N)c1 ZINC001494999826 1104641302 /nfs/dbraw/zinc/64/13/02/1104641302.db2.gz KRLKTFFCSJHFPH-BRWVUGGUSA-N 2 2 337.427 2.069 10 30 EEEELP CC[C@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)[NH2+]Cc1cccc(C#N)c1 ZINC001494999826 1104641305 /nfs/dbraw/zinc/64/13/05/1104641305.db2.gz KRLKTFFCSJHFPH-BRWVUGGUSA-N 2 2 337.427 2.069 10 30 EEEELP C=CCCCCC[NH+]1CC(N(C)C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001499695611 1112447692 /nfs/dbraw/zinc/44/76/92/1112447692.db2.gz FQQZQSYSGPGPPJ-INIZCTEOSA-N 2 2 330.476 2.335 10 30 EEEELP C=C(C)CC[NH2+]C1(CNC(=O)C(C)(C)n2c[nH+]c(C)c2)CCOCC1 ZINC001500573785 1112950222 /nfs/dbraw/zinc/95/02/22/1112950222.db2.gz MATSJELKASWXFF-UHFFFAOYSA-N 2 2 348.491 2.148 10 30 EEEELP C=C(Cl)C[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001507016498 1115055815 /nfs/dbraw/zinc/05/58/15/1115055815.db2.gz YXTBLSSATFPROR-ZBFHGGJFSA-N 2 2 336.867 2.025 10 30 EEEELP CC#CC[NH2+]C[C@@H](NC(=O)[C@@H]1CCn2c[nH+]cc2C1)C1CCCCC1 ZINC001568343746 1124428398 /nfs/dbraw/zinc/42/83/98/1124428398.db2.gz PBTLDFAECSHUSX-IEBWSBKVSA-N 2 2 342.487 2.124 10 30 EEEELP C[C@H](CC[NH2+]Cc1ccccc1C#N)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001568682903 1124694522 /nfs/dbraw/zinc/69/45/22/1124694522.db2.gz RIMFZPXBEPCGLT-CVEARBPZSA-N 2 2 339.443 2.390 10 30 EEEELP N#Cc1cccc(N2CC[NH+](Cc3ccc(-n4cc[nH+]c4)cc3)CC2)n1 ZINC000355106746 163083055 /nfs/dbraw/zinc/08/30/55/163083055.db2.gz PULONKMLYKHBDV-UHFFFAOYSA-N 2 2 344.422 2.461 10 30 EEEELP C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1ccn2cc[nH+]c2c1 ZINC000095431006 463083065 /nfs/dbraw/zinc/08/30/65/463083065.db2.gz NLGBIPSDPDXEJA-UHFFFAOYSA-N 2 2 347.422 2.410 10 30 EEEELP COc1ccc(C[NH+]2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)cc1C#N ZINC000135061528 463114164 /nfs/dbraw/zinc/11/41/64/463114164.db2.gz XWNYVWJVXQZRIM-IBGZPJMESA-N 2 2 342.487 2.169 10 30 EEEELP COc1ccc(C[NH+]2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)cc1C#N ZINC000135061528 463114167 /nfs/dbraw/zinc/11/41/67/463114167.db2.gz XWNYVWJVXQZRIM-IBGZPJMESA-N 2 2 342.487 2.169 10 30 EEEELP C=CCS(=O)(=O)CC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000278624136 463974621 /nfs/dbraw/zinc/97/46/21/463974621.db2.gz GLLHYKAYFXHNMM-LDLYASANSA-N 2 2 348.512 2.372 10 30 EEEELP C=CCS(=O)(=O)CC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000278624136 463974622 /nfs/dbraw/zinc/97/46/22/463974622.db2.gz GLLHYKAYFXHNMM-LDLYASANSA-N 2 2 348.512 2.372 10 30 EEEELP CCc1nocc1C[NH+](C)CC#CC[N@@H+](C)Cc1conc1CC ZINC000293497543 464407616 /nfs/dbraw/zinc/40/76/16/464407616.db2.gz UCQXKYZZVGCXJS-UHFFFAOYSA-N 2 2 330.432 2.355 10 30 EEEELP CCc1nocc1C[NH+](C)CC#CC[N@H+](C)Cc1conc1CC ZINC000293497543 464407618 /nfs/dbraw/zinc/40/76/18/464407618.db2.gz UCQXKYZZVGCXJS-UHFFFAOYSA-N 2 2 330.432 2.355 10 30 EEEELP C[C@H](c1ccsc1)[NH+]1CCN(C(=O)[C@@H]([NH3+])CCCCC#N)CC1 ZINC000594447166 468592918 /nfs/dbraw/zinc/59/29/18/468592918.db2.gz ULRQZUONILXZGS-ZBFHGGJFSA-N 2 2 334.489 2.365 10 30 EEEELP COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+]C1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000594950950 468730460 /nfs/dbraw/zinc/73/04/60/468730460.db2.gz VPAFKTRXNHKJQJ-NIKGAXFTSA-N 2 2 341.455 2.310 10 30 EEEELP C=C(C)C[N@H+]1CCC[C@H]([C@@H](C)NC(=O)Cc2c[nH+]ccc2OC)C1 ZINC001266892479 1177730807 /nfs/dbraw/zinc/73/08/07/1177730807.db2.gz VWDUWLCSLOLKOM-CVEARBPZSA-N 2 2 331.460 2.426 10 30 EEEELP C=C(C)C[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)Cc2c[nH+]ccc2OC)C1 ZINC001266892479 1177730814 /nfs/dbraw/zinc/73/08/14/1177730814.db2.gz VWDUWLCSLOLKOM-CVEARBPZSA-N 2 2 331.460 2.426 10 30 EEEELP C#CCC[NH+]1CCC(CCNC(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC001267945010 1180803596 /nfs/dbraw/zinc/80/35/96/1180803596.db2.gz VAFQGEUGPPZVGQ-UHFFFAOYSA-N 2 2 330.476 2.168 10 30 EEEELP C=CCC[N@@H+](C)CC1CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC001481516071 1181622013 /nfs/dbraw/zinc/62/20/13/1181622013.db2.gz LRVWKDMDKLHLGO-QGZVFWFLSA-N 2 2 330.476 2.192 10 30 EEEELP C=CCC[N@H+](C)CC1CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC001481516071 1181622015 /nfs/dbraw/zinc/62/20/15/1181622015.db2.gz LRVWKDMDKLHLGO-QGZVFWFLSA-N 2 2 330.476 2.192 10 30 EEEELP C#CCC[N@@H+](C)CCC1CCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001482507449 1186425806 /nfs/dbraw/zinc/42/58/06/1186425806.db2.gz MSXPRBVEROUARA-INIZCTEOSA-N 2 2 330.476 2.172 10 30 EEEELP C#CCC[N@H+](C)CCC1CCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001482507449 1186425808 /nfs/dbraw/zinc/42/58/08/1186425808.db2.gz MSXPRBVEROUARA-INIZCTEOSA-N 2 2 330.476 2.172 10 30 EEEELP C#CCC[N@@H+](C)CCC1CCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001482507449 1186425810 /nfs/dbraw/zinc/42/58/10/1186425810.db2.gz MSXPRBVEROUARA-INIZCTEOSA-N 2 2 330.476 2.172 10 30 EEEELP C#CCC[N@H+](C)CCC1CCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001482507449 1186425813 /nfs/dbraw/zinc/42/58/13/1186425813.db2.gz MSXPRBVEROUARA-INIZCTEOSA-N 2 2 330.476 2.172 10 30 EEEELP C[C@H](CNC(=O)C1([NH+](C)C)CCC1)[N@H+](C)Cc1cc(F)ccc1C#N ZINC001409591966 1190072966 /nfs/dbraw/zinc/07/29/66/1190072966.db2.gz PKPVDWUHYYCGKG-CQSZACIVSA-N 2 2 346.450 2.118 10 30 EEEELP C[C@H](CNC(=O)C1([NH+](C)C)CCC1)[N@@H+](C)Cc1cc(F)ccc1C#N ZINC001409591966 1190072969 /nfs/dbraw/zinc/07/29/69/1190072969.db2.gz PKPVDWUHYYCGKG-CQSZACIVSA-N 2 2 346.450 2.118 10 30 EEEELP C[C@@H](CCNC(=O)CCCn1cc[nH+]c1)[NH2+]CC#Cc1ccccc1 ZINC001485003334 1191610589 /nfs/dbraw/zinc/61/05/89/1191610589.db2.gz NTACYURDCVLVAQ-SFHVURJKSA-N 2 2 338.455 2.199 10 30 EEEELP C=C(C)CC[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001485064111 1191633758 /nfs/dbraw/zinc/63/37/58/1191633758.db2.gz YZRZZDRTCLYNGS-IRXDYDNUSA-N 2 2 330.476 2.335 10 30 EEEELP C=C(C)CC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001485064111 1191633759 /nfs/dbraw/zinc/63/37/59/1191633759.db2.gz YZRZZDRTCLYNGS-IRXDYDNUSA-N 2 2 330.476 2.335 10 30 EEEELP C=CCC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C)[C@@H]1CCCO1 ZINC000883222427 1202032935 /nfs/dbraw/zinc/03/29/35/1202032935.db2.gz TWHOXIMPGIYXOX-TZOQOTQKSA-N 2 2 349.519 2.173 10 30 EEEELP C=CCC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C)[C@@H]1CCCO1 ZINC000883222427 1202032938 /nfs/dbraw/zinc/03/29/38/1202032938.db2.gz TWHOXIMPGIYXOX-TZOQOTQKSA-N 2 2 349.519 2.173 10 30 EEEELP C=C(C)C[NH+]1CCC([NH2+][C@H]2CCCn3nc(C(=O)OC)cc32)CC1 ZINC000886524004 1202518353 /nfs/dbraw/zinc/51/83/53/1202518353.db2.gz AJWZGLCEDUNULA-HNNXBMFYSA-N 2 2 332.448 2.135 10 30 EEEELP C=C(C)CC[NH2+]C[C@@H]1CCCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001491156122 1258732530 /nfs/dbraw/zinc/73/25/30/1258732530.db2.gz IGAFSHQMDADFCR-IRXDYDNUSA-N 2 2 330.476 2.240 10 30 EEEELP C=CC[N@@H+]1CC[C@H](C2CCN(C(=O)CCCn3cc[nH+]c3)CC2)C1 ZINC001277285360 1302168337 /nfs/dbraw/zinc/16/83/37/1302168337.db2.gz OQWWAUQBSFQJGF-SFHVURJKSA-N 2 2 330.476 2.410 10 30 EEEELP C=CC[N@H+]1CC[C@H](C2CCN(C(=O)CCCn3cc[nH+]c3)CC2)C1 ZINC001277285360 1302168357 /nfs/dbraw/zinc/16/83/57/1302168357.db2.gz OQWWAUQBSFQJGF-SFHVURJKSA-N 2 2 330.476 2.410 10 30 EEEELP C[C@@H](C(=O)N1CCC([N@H+](CC#N)CC2CC2)CC1)[NH+]1CCCCCC1 ZINC001277393994 1302823888 /nfs/dbraw/zinc/82/38/88/1302823888.db2.gz WLHQPKSPKKPVOX-KRWDZBQOSA-N 2 2 346.519 2.477 10 30 EEEELP C[C@@H](C(=O)N1CCC([N@@H+](CC#N)CC2CC2)CC1)[NH+]1CCCCCC1 ZINC001277393994 1302823906 /nfs/dbraw/zinc/82/39/06/1302823906.db2.gz WLHQPKSPKKPVOX-KRWDZBQOSA-N 2 2 346.519 2.477 10 30 EEEELP C=C(C)Cn1c(C[NH+]2CCCC2)nnc1N1CC[NH+]([C@H](C)CC)CC1 ZINC001263287797 1322452604 /nfs/dbraw/zinc/45/26/04/1322452604.db2.gz UBCPXJNHZUCQSD-QGZVFWFLSA-N 2 2 346.523 2.371 10 30 EEEELP C=CCC[C@@H](C)[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001264425758 1322698106 /nfs/dbraw/zinc/69/81/06/1322698106.db2.gz FPYBWTKWAOXAJU-QBPKDAKJSA-N 2 2 330.476 2.285 10 30 EEEELP C=CCC[C@H](C)[NH+]1CCC(CO)(NC(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001281821218 1325473446 /nfs/dbraw/zinc/47/34/46/1325473446.db2.gz YTIRQALYMAIJFS-IRXDYDNUSA-N 2 2 348.491 2.132 10 30 EEEELP C=CCOCC[N@@H+](C)C1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001283318100 1326005949 /nfs/dbraw/zinc/00/59/49/1326005949.db2.gz WZANDFDPESZLOY-UHFFFAOYSA-N 2 2 342.443 2.302 10 30 EEEELP C=CCOCC[N@H+](C)C1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001283318100 1326005951 /nfs/dbraw/zinc/00/59/51/1326005951.db2.gz WZANDFDPESZLOY-UHFFFAOYSA-N 2 2 342.443 2.302 10 30 EEEELP C=CCOCC[NH2+]C[C@@H](NC(=O)c1cccc2[nH+]ccn21)C(C)(C)C ZINC001284607928 1326628557 /nfs/dbraw/zinc/62/85/57/1326628557.db2.gz GVRHTVKXTFHGSJ-MRXNPFEDSA-N 2 2 344.459 2.271 10 30 EEEELP C=C(C)C[NH2+]CC[C@H]1CCCCN1C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001319764906 1332761738 /nfs/dbraw/zinc/76/17/38/1332761738.db2.gz GELWFHGQCJTMJQ-IAGOWNOFSA-N 2 2 330.476 2.382 10 30 EEEELP C=CCCC[N@@H+](C)C[C@@H](C)NC(=O)c1cc([C@@H]2CCC[NH+]2C)n[nH]1 ZINC001322158280 1333219801 /nfs/dbraw/zinc/21/98/01/1333219801.db2.gz BUZGTLXRCSNVBH-PBHICJAKSA-N 2 2 333.480 2.193 10 30 EEEELP C=CCCC[N@H+](C)C[C@@H](C)NC(=O)c1cc([C@@H]2CCC[NH+]2C)n[nH]1 ZINC001322158280 1333219804 /nfs/dbraw/zinc/21/98/04/1333219804.db2.gz BUZGTLXRCSNVBH-PBHICJAKSA-N 2 2 333.480 2.193 10 30 EEEELP C=CCCC[NH+](C)C[C@@H](C)NC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1 ZINC001322158280 1333219808 /nfs/dbraw/zinc/21/98/08/1333219808.db2.gz BUZGTLXRCSNVBH-PBHICJAKSA-N 2 2 333.480 2.193 10 30 EEEELP C=CCCC[NH+](C)C[C@@H](C)NC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1 ZINC001322158280 1333219809 /nfs/dbraw/zinc/21/98/09/1333219809.db2.gz BUZGTLXRCSNVBH-PBHICJAKSA-N 2 2 333.480 2.193 10 30 EEEELP C#CCN(C(=O)CCCn1cc[nH+]c1)C1CC[NH+](CC[C@@H](C)F)CC1 ZINC001324442263 1333685434 /nfs/dbraw/zinc/68/54/34/1333685434.db2.gz YCTCBLFOIQIXQZ-QGZVFWFLSA-N 2 2 348.466 2.338 10 30 EEEELP C=CCCC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001331293175 1334992072 /nfs/dbraw/zinc/99/20/72/1334992072.db2.gz ARAJDVVPVWSFME-WMZOPIPTSA-N 2 2 330.476 2.238 10 30 EEEELP C=CCCC[N@@H+](C)C[C@H](O)CN(C)C(=O)c1c(C)cc(C)[nH+]c1C ZINC001332646210 1335872602 /nfs/dbraw/zinc/87/26/02/1335872602.db2.gz HOUHYQROEMSXAQ-KRWDZBQOSA-N 2 2 333.476 2.338 10 30 EEEELP C=CCCC[N@H+](C)C[C@H](O)CN(C)C(=O)c1c(C)cc(C)[nH+]c1C ZINC001332646210 1335872604 /nfs/dbraw/zinc/87/26/04/1335872604.db2.gz HOUHYQROEMSXAQ-KRWDZBQOSA-N 2 2 333.476 2.338 10 30 EEEELP C=CCn1c(C[NH+]2CCCC2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001339084093 1336956401 /nfs/dbraw/zinc/95/64/01/1336956401.db2.gz YKEHKBUCKUNMMP-UHFFFAOYSA-N 2 2 346.523 2.371 10 30 EEEELP C=CCn1c(C[NH+]2CCCC2)nnc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC001339084093 1336956403 /nfs/dbraw/zinc/95/64/03/1336956403.db2.gz YKEHKBUCKUNMMP-UHFFFAOYSA-N 2 2 346.523 2.371 10 30 EEEELP C=CCCC[NH2+]C1CCC(NC(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC001566984886 1342673245 /nfs/dbraw/zinc/67/32/45/1342673245.db2.gz GNCWWRKULXSLHH-KLAILNCOSA-N 2 2 330.476 2.429 10 30 EEEELP C=CCC[NH2+][C@@H](C)C1CCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC001567627847 1342796738 /nfs/dbraw/zinc/79/67/38/1342796738.db2.gz ZRFKIAYMNPNJAB-RDJZCZTQSA-N 2 2 330.476 2.238 10 30 EEEELP CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[NH+]1CCC(c2c[nH+]cn2C)CC1 ZINC001655123998 1354165935 /nfs/dbraw/zinc/16/59/35/1354165935.db2.gz ZRGLCBMFJNLSSW-RDTXWAMCSA-N 2 2 331.464 2.042 10 30 EEEELP CC#CC[NH2+][C@@H]1CCCCCN(C(=O)Cc2c[nH+]ccc2OC)C1 ZINC001656895459 1354295940 /nfs/dbraw/zinc/29/59/40/1354295940.db2.gz ZFPRJRKZDSPAGJ-QGZVFWFLSA-N 2 2 329.444 2.017 10 30 EEEELP C=C(C)C[N@H+]1CC[C@H](N(CCC)C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001664673570 1355207032 /nfs/dbraw/zinc/20/70/32/1355207032.db2.gz NBYQNPMTDGAJHM-HNNXBMFYSA-N 2 2 334.464 2.239 10 30 EEEELP C=C(C)C[N@@H+]1CC[C@H](N(CCC)C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001664673570 1355207037 /nfs/dbraw/zinc/20/70/37/1355207037.db2.gz NBYQNPMTDGAJHM-HNNXBMFYSA-N 2 2 334.464 2.239 10 30 EEEELP C#CCC[NH2+]C[C@@]1(NC(=O)CCc2c[nH+]cn2C)CCCC[C@H]1C ZINC001666067174 1355438452 /nfs/dbraw/zinc/43/84/52/1355438452.db2.gz CRVNYILDBWPTBA-APWZRJJASA-N 2 2 330.476 2.031 10 30 EEEELP C=CCC[N@H+]1CCc2c(CNC(=O)Cc3c[nH+]cn3C)cccc2C1 ZINC001673079512 1356644086 /nfs/dbraw/zinc/64/40/86/1356644086.db2.gz DGNURDLJSMWVOF-UHFFFAOYSA-N 2 2 338.455 2.213 10 30 EEEELP C=CCC[N@@H+]1CCc2c(CNC(=O)Cc3c[nH+]cn3C)cccc2C1 ZINC001673079512 1356644090 /nfs/dbraw/zinc/64/40/90/1356644090.db2.gz DGNURDLJSMWVOF-UHFFFAOYSA-N 2 2 338.455 2.213 10 30 EEEELP C#CCC[N@H+]1CC[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C(C)(C)C1 ZINC000940745743 779201405 /nfs/dbraw/zinc/20/14/05/779201405.db2.gz UCFSALHGUFWKQD-KRWDZBQOSA-N 2 2 338.455 2.496 10 30 EEEELP C#CCC[N@@H+]1CC[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C(C)(C)C1 ZINC000940745743 779201413 /nfs/dbraw/zinc/20/14/13/779201413.db2.gz UCFSALHGUFWKQD-KRWDZBQOSA-N 2 2 338.455 2.496 10 30 EEEELP C=C(C)C[NH2+]C[C@](C)(NC(=O)Cc1cn2c([nH+]1)CCCC2)C1CC1 ZINC001495251750 1100948169 /nfs/dbraw/zinc/94/81/69/1100948169.db2.gz WOLVPEUUIIAYMQ-IBGZPJMESA-N 2 2 330.476 2.213 10 30 EEEELP C=C(C)CC[N@@H+]1CCO[C@H](CNC(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001495884973 1101716085 /nfs/dbraw/zinc/71/60/85/1101716085.db2.gz PBPYNQUKZFRIME-MOPGFXCFSA-N 2 2 345.487 2.073 10 30 EEEELP C=C(C)CC[N@H+]1CCO[C@H](CNC(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001495884973 1101716097 /nfs/dbraw/zinc/71/60/97/1101716097.db2.gz PBPYNQUKZFRIME-MOPGFXCFSA-N 2 2 345.487 2.073 10 30 EEEELP C=CCC[NH2+]C1(CNC(=O)c2cc([C@H]3CCC[N@H+]3C)n[nH]2)CCCC1 ZINC001495915480 1101759675 /nfs/dbraw/zinc/75/96/75/1101759675.db2.gz SVJOUUJWMCARSV-QGZVFWFLSA-N 2 2 345.491 2.385 10 30 EEEELP C=CCC[NH2+]C1(CNC(=O)c2cc([C@H]3CCC[N@@H+]3C)n[nH]2)CCCC1 ZINC001495915480 1101759679 /nfs/dbraw/zinc/75/96/79/1101759679.db2.gz SVJOUUJWMCARSV-QGZVFWFLSA-N 2 2 345.491 2.385 10 30 EEEELP C=CCC[C@@H](C)[N@H+](C)C[C@@H]1CCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC001494147409 1103602982 /nfs/dbraw/zinc/60/29/82/1103602982.db2.gz MCKLJYUPFDCPPD-SJORKVTESA-N 2 2 332.492 2.488 10 30 EEEELP C=CCC[C@@H](C)[N@@H+](C)C[C@@H]1CCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC001494147409 1103602989 /nfs/dbraw/zinc/60/29/89/1103602989.db2.gz MCKLJYUPFDCPPD-SJORKVTESA-N 2 2 332.492 2.488 10 30 EEEELP C=CCCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)CCn3cc[nH+]c3)C[C@@H]2C1 ZINC001506855375 1114919121 /nfs/dbraw/zinc/91/91/21/1114919121.db2.gz NHQCANUXSUQUQN-KSZLIROESA-N 2 2 330.476 2.456 10 30 EEEELP C=CCCC[N@H+]1C[C@@H]2CC[C@H](NC(=O)CCn3cc[nH+]c3)C[C@@H]2C1 ZINC001506855375 1114919124 /nfs/dbraw/zinc/91/91/24/1114919124.db2.gz NHQCANUXSUQUQN-KSZLIROESA-N 2 2 330.476 2.456 10 30 EEEELP CC#CC[NH+]1CC2(C1)CCN(C(=O)[C@@H](CC(C)C)n1cc[nH+]c1)CC2 ZINC001568250468 1124385653 /nfs/dbraw/zinc/38/56/53/1124385653.db2.gz IFNVCPGHCWGFCI-GOSISDBHSA-N 2 2 342.487 2.418 10 30 EEEELP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](CC(=O)Nc2ccc(C#N)cc2)C1 ZINC000131211039 462798871 /nfs/dbraw/zinc/79/88/71/462798871.db2.gz FWWWNHUGYMSBPI-INIZCTEOSA-N 2 2 337.427 2.185 10 30 EEEELP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc(C#N)cc2)C1 ZINC000131211039 462798875 /nfs/dbraw/zinc/79/88/75/462798875.db2.gz FWWWNHUGYMSBPI-INIZCTEOSA-N 2 2 337.427 2.185 10 30 EEEELP C[C@@H]([NH2+]CC(=O)N[C@@](C)(C#N)C1CC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000180671938 464365791 /nfs/dbraw/zinc/36/57/91/464365791.db2.gz GUNQEIVZAFRYGQ-KUHUBIRLSA-N 2 2 337.427 2.331 10 30 EEEELP C[NH+](C)[C@H](CNC(=O)[C@@H]([NH3+])CCCCC#N)c1c(F)cccc1F ZINC000594437681 468587001 /nfs/dbraw/zinc/58/70/01/468587001.db2.gz KQMPRRCTIIYSAB-LSDHHAIUSA-N 2 2 338.402 2.095 10 30 EEEELP N#CC1(C[C@@H](O)C[NH2+]CC2([NH+]3CCSCC3)CCCCC2)CC1 ZINC000600729128 468638398 /nfs/dbraw/zinc/63/83/98/468638398.db2.gz XAFGYUMDKXYBKZ-MRXNPFEDSA-N 2 2 337.533 2.382 10 30 EEEELP N#Cc1ccc(OC[C@H](O)C[NH2+]C[C@@H]2CC[N@@H+]2C2CCCCC2)cc1 ZINC000600748783 468646975 /nfs/dbraw/zinc/64/69/75/468646975.db2.gz DLZOIEVQBIVRID-RBUKOAKNSA-N 2 2 343.471 2.295 10 30 EEEELP N#Cc1ccc(OC[C@H](O)C[NH2+]C[C@@H]2CC[N@H+]2C2CCCCC2)cc1 ZINC000600748783 468646982 /nfs/dbraw/zinc/64/69/82/468646982.db2.gz DLZOIEVQBIVRID-RBUKOAKNSA-N 2 2 343.471 2.295 10 30 EEEELP Cc1ccc(C#N)nc1N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000596175671 469186468 /nfs/dbraw/zinc/18/64/68/469186468.db2.gz WDEWKONPROEUQN-JWTNVVGKSA-N 2 2 325.460 2.009 10 30 EEEELP Cc1ccc(C#N)nc1N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000596175671 469186475 /nfs/dbraw/zinc/18/64/75/469186475.db2.gz WDEWKONPROEUQN-JWTNVVGKSA-N 2 2 325.460 2.009 10 30 EEEELP C[NH+](C)CCC[N@H+](C)CCNC(=O)Nc1ccc(C#N)cc1Cl ZINC000596796338 469360718 /nfs/dbraw/zinc/36/07/18/469360718.db2.gz LKKFJAQRCWGJDM-UHFFFAOYSA-N 2 2 337.855 2.217 10 30 EEEELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)Nc1ccc(C#N)cc1Cl ZINC000596796338 469360723 /nfs/dbraw/zinc/36/07/23/469360723.db2.gz LKKFJAQRCWGJDM-UHFFFAOYSA-N 2 2 337.855 2.217 10 30 EEEELP C=CCC[N@@H+]1CC[C@@H](CCNC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001267558727 1179358773 /nfs/dbraw/zinc/35/87/73/1179358773.db2.gz GCSHSXCUYKAWDJ-MRXNPFEDSA-N 2 2 330.476 2.166 10 30 EEEELP C=CCC[N@H+]1CC[C@@H](CCNC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001267558727 1179358779 /nfs/dbraw/zinc/35/87/79/1179358779.db2.gz GCSHSXCUYKAWDJ-MRXNPFEDSA-N 2 2 330.476 2.166 10 30 EEEELP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H](C)CC[NH2+]Cc1cccc(C#N)c1 ZINC001268405742 1182521181 /nfs/dbraw/zinc/52/11/81/1182521181.db2.gz OVOZUFORQDRNGD-CABCVRRESA-N 2 2 339.443 2.145 10 30 EEEELP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H](C)CC[NH2+]Cc1cccc(C#N)c1 ZINC001268405742 1182521187 /nfs/dbraw/zinc/52/11/87/1182521187.db2.gz OVOZUFORQDRNGD-CABCVRRESA-N 2 2 339.443 2.145 10 30 EEEELP CC[C@@H](CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1)[NH2+]Cc1ccc(C#N)cc1 ZINC001481858658 1182810172 /nfs/dbraw/zinc/81/01/72/1182810172.db2.gz ZBIYTUSSMSLLFF-YOEHRIQHSA-N 2 2 339.443 2.145 10 30 EEEELP CC[C@@H](CNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1)[NH2+]Cc1ccc(C#N)cc1 ZINC001481858658 1182810178 /nfs/dbraw/zinc/81/01/78/1182810178.db2.gz ZBIYTUSSMSLLFF-YOEHRIQHSA-N 2 2 339.443 2.145 10 30 EEEELP C=C(C)C[NH2+]C[C@@](C)(NC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1)C1CC1 ZINC001269620072 1184444609 /nfs/dbraw/zinc/44/46/09/1184444609.db2.gz YDMLCIIWKDZMJE-IEBWSBKVSA-N 2 2 345.491 2.241 10 30 EEEELP C=C(C)C[NH2+]C[C@@](C)(NC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1)C1CC1 ZINC001269620072 1184444616 /nfs/dbraw/zinc/44/46/16/1184444616.db2.gz YDMLCIIWKDZMJE-IEBWSBKVSA-N 2 2 345.491 2.241 10 30 EEEELP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]([NH2+]C/C(Cl)=C\Cl)C(C)C ZINC001482535528 1186557426 /nfs/dbraw/zinc/55/74/26/1186557426.db2.gz ABPGRYVTXXXMPZ-UXHADMKASA-N 2 2 346.302 2.133 10 30 EEEELP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]([NH2+]C/C(Cl)=C\Cl)C(C)C ZINC001482535528 1186557434 /nfs/dbraw/zinc/55/74/34/1186557434.db2.gz ABPGRYVTXXXMPZ-UXHADMKASA-N 2 2 346.302 2.133 10 30 EEEELP C=CCCC[NH+]1CCOC[C@@H]1CNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001272893306 1193593258 /nfs/dbraw/zinc/59/32/58/1193593258.db2.gz KNPPETVKXBVNOX-ZWKOTPCHSA-N 2 2 337.508 2.033 10 30 EEEELP C=CCCC[NH+]1CCOC[C@@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001272893306 1193593260 /nfs/dbraw/zinc/59/32/60/1193593260.db2.gz KNPPETVKXBVNOX-ZWKOTPCHSA-N 2 2 337.508 2.033 10 30 EEEELP C=CCCC[N@H+]1CCOC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001272893306 1193593262 /nfs/dbraw/zinc/59/32/62/1193593262.db2.gz KNPPETVKXBVNOX-ZWKOTPCHSA-N 2 2 337.508 2.033 10 30 EEEELP C=CCCC[N@@H+]1CCOC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001272893306 1193593263 /nfs/dbraw/zinc/59/32/63/1193593263.db2.gz KNPPETVKXBVNOX-ZWKOTPCHSA-N 2 2 337.508 2.033 10 30 EEEELP C=C(Cl)C[N@H+]1CC[C@@H](N(CCC)C(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001493969299 1191791367 /nfs/dbraw/zinc/79/13/67/1191791367.db2.gz YZFURXUXGMIXTC-GDBMZVCRSA-N 2 2 327.900 2.394 10 30 EEEELP C=C(Cl)C[N@@H+]1CC[C@@H](N(CCC)C(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001493969299 1191791369 /nfs/dbraw/zinc/79/13/69/1191791369.db2.gz YZFURXUXGMIXTC-GDBMZVCRSA-N 2 2 327.900 2.394 10 30 EEEELP C=C(Cl)C[NH+]1CC[C@@H](N(CCC)C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001493969299 1191791373 /nfs/dbraw/zinc/79/13/73/1191791373.db2.gz YZFURXUXGMIXTC-GDBMZVCRSA-N 2 2 327.900 2.394 10 30 EEEELP CC(C)[N@H+](C)CC(=O)N(C)C[C@@H]1CC[NH+]1CC#Cc1ccc(F)cc1 ZINC001691679123 1197484061 /nfs/dbraw/zinc/48/40/61/1197484061.db2.gz RUIHDPZAKLFCCN-IBGZPJMESA-N 2 2 345.462 2.050 10 30 EEEELP CC(C)[N@@H+](C)CC(=O)N(C)C[C@@H]1CC[NH+]1CC#Cc1ccc(F)cc1 ZINC001691679123 1197484063 /nfs/dbraw/zinc/48/40/63/1197484063.db2.gz RUIHDPZAKLFCCN-IBGZPJMESA-N 2 2 345.462 2.050 10 30 EEEELP CC(C)[NH+](C)CC(=O)N(C)C[C@@H]1CC[N@@H+]1CC#Cc1ccc(F)cc1 ZINC001691679123 1197484065 /nfs/dbraw/zinc/48/40/65/1197484065.db2.gz RUIHDPZAKLFCCN-IBGZPJMESA-N 2 2 345.462 2.050 10 30 EEEELP CC(C)[NH+](C)CC(=O)N(C)C[C@@H]1CC[N@H+]1CC#Cc1ccc(F)cc1 ZINC001691679123 1197484068 /nfs/dbraw/zinc/48/40/68/1197484068.db2.gz RUIHDPZAKLFCCN-IBGZPJMESA-N 2 2 345.462 2.050 10 30 EEEELP C#CCC1([NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)CCOCC1 ZINC000887122254 1204208763 /nfs/dbraw/zinc/20/87/63/1204208763.db2.gz PVORMHNOESWJQE-HXUWFJFHSA-N 2 2 342.483 2.440 10 30 EEEELP C#CCC1([NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)CCOCC1 ZINC000887122254 1204208765 /nfs/dbraw/zinc/20/87/65/1204208765.db2.gz PVORMHNOESWJQE-HXUWFJFHSA-N 2 2 342.483 2.440 10 30 EEEELP C#CC[N@H+](CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)C(C)(C)C ZINC000932463829 1207612213 /nfs/dbraw/zinc/61/22/13/1207612213.db2.gz JSQXEOOCFQAHSQ-UHFFFAOYSA-N 2 2 343.471 2.191 10 30 EEEELP C#CC[N@@H+](CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)C(C)(C)C ZINC000932463829 1207612215 /nfs/dbraw/zinc/61/22/15/1207612215.db2.gz JSQXEOOCFQAHSQ-UHFFFAOYSA-N 2 2 343.471 2.191 10 30 EEEELP C#CCC[NH2+]CC[C@H]1[C@H](C)CCCN1C(=O)CCCn1cc[nH+]c1 ZINC001691737064 1210827797 /nfs/dbraw/zinc/82/77/97/1210827797.db2.gz ADUHONVJZIUMOF-MSOLQXFVSA-N 2 2 330.476 2.293 10 30 EEEELP C=CCC[C@@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O)[C@@]1(C)CCCCO1 ZINC000903064657 1239649540 /nfs/dbraw/zinc/64/95/40/1239649540.db2.gz QBDZSWIEISZNLH-YQVWRLOYSA-N 2 2 337.508 2.210 10 30 EEEELP C=CCC[C@@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O)[C@@]1(C)CCCCO1 ZINC000903064657 1239649548 /nfs/dbraw/zinc/64/95/48/1239649548.db2.gz QBDZSWIEISZNLH-YQVWRLOYSA-N 2 2 337.508 2.210 10 30 EEEELP C#CC[NH+]1CCCC[C@@H]1CNC(=O)[C@@H](c1ccccc1)[N@@H+](C)CC ZINC001491229589 1258817294 /nfs/dbraw/zinc/81/72/94/1258817294.db2.gz IRNAUXFNRNBPOH-RTBURBONSA-N 2 2 327.472 2.283 10 30 EEEELP C#CC[NH+]1CCCC[C@@H]1CNC(=O)[C@@H](c1ccccc1)[N@H+](C)CC ZINC001491229589 1258817300 /nfs/dbraw/zinc/81/73/00/1258817300.db2.gz IRNAUXFNRNBPOH-RTBURBONSA-N 2 2 327.472 2.283 10 30 EEEELP C#CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H](c1ccccc1)[NH+](C)CC ZINC001491229589 1258817306 /nfs/dbraw/zinc/81/73/06/1258817306.db2.gz IRNAUXFNRNBPOH-RTBURBONSA-N 2 2 327.472 2.283 10 30 EEEELP C#CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H](c1ccccc1)[NH+](C)CC ZINC001491229589 1258817315 /nfs/dbraw/zinc/81/73/15/1258817315.db2.gz IRNAUXFNRNBPOH-RTBURBONSA-N 2 2 327.472 2.283 10 30 EEEELP C=CC[NH+]1Cc2ccccc2C[C@H]1CNC(=O)C[N@@H+](C)C1CCC1 ZINC001273813768 1286315972 /nfs/dbraw/zinc/31/59/72/1286315972.db2.gz IGQCDVPVJGJUED-IBGZPJMESA-N 2 2 327.472 2.200 10 30 EEEELP C=CC[NH+]1Cc2ccccc2C[C@H]1CNC(=O)C[N@H+](C)C1CCC1 ZINC001273813768 1286315981 /nfs/dbraw/zinc/31/59/81/1286315981.db2.gz IGQCDVPVJGJUED-IBGZPJMESA-N 2 2 327.472 2.200 10 30 EEEELP C=CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001273813768 1286315987 /nfs/dbraw/zinc/31/59/87/1286315987.db2.gz IGQCDVPVJGJUED-IBGZPJMESA-N 2 2 327.472 2.200 10 30 EEEELP C=CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001273813768 1286315997 /nfs/dbraw/zinc/31/59/97/1286315997.db2.gz IGQCDVPVJGJUED-IBGZPJMESA-N 2 2 327.472 2.200 10 30 EEEELP C=CC[NH2+]CC[C@@H]1[C@H](C)CCCN1C(=O)Cc1c[nH+]ccc1OC ZINC001264514608 1322719273 /nfs/dbraw/zinc/71/92/73/1322719273.db2.gz COQPFGWMAKWRCT-NVXWUHKLSA-N 2 2 331.460 2.426 10 30 EEEELP C[N@@H+](CC#Cc1ccccc1Cl)CCCNC(=O)Cn1cc[nH+]c1 ZINC001265983716 1323542965 /nfs/dbraw/zinc/54/29/65/1323542965.db2.gz CRTVCZAUAVMOFH-UHFFFAOYSA-N 2 2 344.846 2.026 10 30 EEEELP C[N@H+](CC#Cc1ccccc1Cl)CCCNC(=O)Cn1cc[nH+]c1 ZINC001265983716 1323542969 /nfs/dbraw/zinc/54/29/69/1323542969.db2.gz CRTVCZAUAVMOFH-UHFFFAOYSA-N 2 2 344.846 2.026 10 30 EEEELP C=CCOCC[N@@H+]1CC[C@@H](CCNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001317790188 1332410334 /nfs/dbraw/zinc/41/03/34/1332410334.db2.gz SWARDAMGWRLSCO-OAHLLOKOSA-N 2 2 342.443 2.207 10 30 EEEELP C=CCOCC[N@H+]1CC[C@@H](CCNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001317790188 1332410336 /nfs/dbraw/zinc/41/03/36/1332410336.db2.gz SWARDAMGWRLSCO-OAHLLOKOSA-N 2 2 342.443 2.207 10 30 EEEELP C=CCOCC[N@@H+]1CC[C@H](CCNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001317790187 1332410488 /nfs/dbraw/zinc/41/04/88/1332410488.db2.gz SWARDAMGWRLSCO-HNNXBMFYSA-N 2 2 342.443 2.207 10 30 EEEELP C=CCOCC[N@H+]1CC[C@H](CCNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001317790187 1332410491 /nfs/dbraw/zinc/41/04/91/1332410491.db2.gz SWARDAMGWRLSCO-HNNXBMFYSA-N 2 2 342.443 2.207 10 30 EEEELP C#CC[NH2+]CC[C@H]1CCCN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001318806337 1332601791 /nfs/dbraw/zinc/60/17/91/1332601791.db2.gz UWNLDAPZZXQIDQ-QZTJIDSGSA-N 2 2 330.476 2.322 10 30 EEEELP C=C(C)C[NH2+]CC[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001318835944 1332607673 /nfs/dbraw/zinc/60/76/73/1332607673.db2.gz JUPMIDMYSXJIJJ-GVDBMIGSSA-N 2 2 330.476 2.318 10 30 EEEELP C=CCC[NH2+]C[C@H]1CCCN1C(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC001324250489 1333643019 /nfs/dbraw/zinc/64/30/19/1333643019.db2.gz PNBWFRKBTWHUEE-QGZVFWFLSA-N 2 2 326.444 2.342 10 30 EEEELP CC#CC[N@H+]1Cc2ccc(CNC(=O)C[NH+](C)C3CCC3)cc2C1 ZINC001327684933 1334333943 /nfs/dbraw/zinc/33/39/43/1334333943.db2.gz JQCABZWVOKTYRW-UHFFFAOYSA-N 2 2 325.456 2.126 10 30 EEEELP CC#CC[NH+]1Cc2ccc(CNC(=O)C[N@H+](C)C3CCC3)cc2C1 ZINC001327684933 1334333945 /nfs/dbraw/zinc/33/39/45/1334333945.db2.gz JQCABZWVOKTYRW-UHFFFAOYSA-N 2 2 325.456 2.126 10 30 EEEELP CC#CC[NH+]1Cc2ccc(CNC(=O)C[N@@H+](C)C3CCC3)cc2C1 ZINC001327684933 1334333946 /nfs/dbraw/zinc/33/39/46/1334333946.db2.gz JQCABZWVOKTYRW-UHFFFAOYSA-N 2 2 325.456 2.126 10 30 EEEELP C=CCCC[NH2+][C@H](C)[C@@H]1CN(C(=O)C(C)(C)n2c[nH+]c(C)c2)CCO1 ZINC001330401157 1334836528 /nfs/dbraw/zinc/83/65/28/1334836528.db2.gz GDWXEBCJEBBADY-SJORKVTESA-N 2 2 348.491 2.098 10 30 EEEELP C=CCC[C@@H](C)[N@H+](C)C[C@H]1CCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC001567741175 1342830038 /nfs/dbraw/zinc/83/00/38/1342830038.db2.gz CCUZJROAMBHCLX-IAGOWNOFSA-N 2 2 332.492 2.488 10 30 EEEELP C=CCC[C@@H](C)[N@@H+](C)C[C@H]1CCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC001567741175 1342830041 /nfs/dbraw/zinc/83/00/41/1342830041.db2.gz CCUZJROAMBHCLX-IAGOWNOFSA-N 2 2 332.492 2.488 10 30 EEEELP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C[NH2+]CC(=C)Cl)C1CCCC1 ZINC001569604307 1342906420 /nfs/dbraw/zinc/90/64/20/1342906420.db2.gz PXWZJIWJAAQOBX-IRXDYDNUSA-N 2 2 337.895 2.101 10 30 EEEELP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C[NH2+]CC(=C)Cl)C1CCCC1 ZINC001569604307 1342906423 /nfs/dbraw/zinc/90/64/23/1342906423.db2.gz PXWZJIWJAAQOBX-IRXDYDNUSA-N 2 2 337.895 2.101 10 30 EEEELP C=C(C)C[NH2+]CC1(O)CCN(C(=O)c2c(C)cc(C)[nH+]c2C)CC1 ZINC001570417350 1343066374 /nfs/dbraw/zinc/06/63/74/1343066374.db2.gz CZPWXZJYNCJFNK-UHFFFAOYSA-N 2 2 331.460 2.140 10 30 EEEELP COCC#CC[NH2+]C[C@H]1CC[C@@H](NC(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001676945133 1357246918 /nfs/dbraw/zinc/24/69/18/1357246918.db2.gz IAHQSZZQODWXGM-ZWKOTPCHSA-N 2 2 343.471 2.145 10 30 EEEELP C=CCNC(=O)C[NH2+]Cc1ccc(OCCn2cc[nH+]c2)c(Cl)c1 ZINC001657029922 1354311006 /nfs/dbraw/zinc/31/10/06/1354311006.db2.gz KFEMVYDKBDPKFS-UHFFFAOYSA-N 2 2 348.834 2.007 10 30 EEEELP C[N@@H+](CC#Cc1ccccc1)CCNC(=O)[C@@H]1CC[C@H]2CCCC[NH+]21 ZINC001663208942 1354935515 /nfs/dbraw/zinc/93/55/15/1354935515.db2.gz BXTHQPVJUUTLRC-UXHICEINSA-N 2 2 339.483 2.103 10 30 EEEELP C[N@H+](CC#Cc1ccccc1)CCNC(=O)[C@@H]1CC[C@H]2CCCC[NH+]21 ZINC001663208942 1354935517 /nfs/dbraw/zinc/93/55/17/1354935517.db2.gz BXTHQPVJUUTLRC-UXHICEINSA-N 2 2 339.483 2.103 10 30 EEEELP C[NH+](CC#Cc1ccccc1)CCNC(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001663208942 1354935518 /nfs/dbraw/zinc/93/55/18/1354935518.db2.gz BXTHQPVJUUTLRC-UXHICEINSA-N 2 2 339.483 2.103 10 30 EEEELP C[NH+](CC#Cc1ccccc1)CCNC(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC001663208942 1354935520 /nfs/dbraw/zinc/93/55/20/1354935520.db2.gz BXTHQPVJUUTLRC-UXHICEINSA-N 2 2 339.483 2.103 10 30 EEEELP CC#CC[NH2+][C@H](C)[C@H]1CCCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001667325314 1355709334 /nfs/dbraw/zinc/70/93/34/1355709334.db2.gz BNIPXWOZOIRMGM-AEFFLSMTSA-N 2 2 338.455 2.496 10 30 EEEELP C=C(C)CC[NH2+]CC[C@@H](C)NC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1 ZINC001668064892 1355860194 /nfs/dbraw/zinc/86/01/94/1355860194.db2.gz DPLJLRHUGGBSMQ-PBHICJAKSA-N 2 2 333.480 2.241 10 30 EEEELP C=C(C)CC[NH2+]CC[C@@H](C)NC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1 ZINC001668064892 1355860200 /nfs/dbraw/zinc/86/02/00/1355860200.db2.gz DPLJLRHUGGBSMQ-PBHICJAKSA-N 2 2 333.480 2.241 10 30 EEEELP C#CCN(C(=O)CCCn1cc[nH+]c1)C1CC[NH+](C[C@@H](F)CC)CC1 ZINC001671507762 1356352809 /nfs/dbraw/zinc/35/28/09/1356352809.db2.gz ICKYULVSWNROEM-KRWDZBQOSA-N 2 2 348.466 2.338 10 30 EEEELP C=C(C)C[N@@H+]1CCC[C@@](C)(CNC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001671891540 1356431969 /nfs/dbraw/zinc/43/19/69/1356431969.db2.gz CLSMCQONWUZTSF-LPHOPBHVSA-N 2 2 330.476 2.240 10 30 EEEELP C=C(C)C[N@H+]1CCC[C@@](C)(CNC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001671891540 1356431971 /nfs/dbraw/zinc/43/19/71/1356431971.db2.gz CLSMCQONWUZTSF-LPHOPBHVSA-N 2 2 330.476 2.240 10 30 EEEELP C#CC[NH+]1Cc2ccccc2C[C@H]1CNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001673634141 1356721316 /nfs/dbraw/zinc/72/13/16/1356721316.db2.gz OFWAZRDLXLIOGB-IBGZPJMESA-N 2 2 341.499 2.141 10 30 EEEELP C#CC[NH+]1Cc2ccccc2C[C@H]1CNC(=O)C[N@H+](C)CC(C)(C)C ZINC001673634141 1356721320 /nfs/dbraw/zinc/72/13/20/1356721320.db2.gz OFWAZRDLXLIOGB-IBGZPJMESA-N 2 2 341.499 2.141 10 30 EEEELP C#CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)C[NH+](C)CC(C)(C)C ZINC001673634141 1356721322 /nfs/dbraw/zinc/72/13/22/1356721322.db2.gz OFWAZRDLXLIOGB-IBGZPJMESA-N 2 2 341.499 2.141 10 30 EEEELP C#CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)C[NH+](C)CC(C)(C)C ZINC001673634141 1356721325 /nfs/dbraw/zinc/72/13/25/1356721325.db2.gz OFWAZRDLXLIOGB-IBGZPJMESA-N 2 2 341.499 2.141 10 30 EEEELP C=C(C)C[NH2+][C@@H](C)[C@@H]1CN(C(=O)c2c(C)cc(C)[nH+]c2C)CCO1 ZINC001675604753 1357013579 /nfs/dbraw/zinc/01/35/79/1357013579.db2.gz FHENVCCROCPUFU-RDJZCZTQSA-N 2 2 331.460 2.402 10 30 EEEELP C#CCC1(NC(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCCCC1 ZINC000918906072 769466232 /nfs/dbraw/zinc/46/62/32/769466232.db2.gz LEJQAYGWYQNZNX-KRWDZBQOSA-N 2 2 346.519 2.180 10 30 EEEELP C#CCC1(NC(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCCCC1 ZINC000918906072 769466238 /nfs/dbraw/zinc/46/62/38/769466238.db2.gz LEJQAYGWYQNZNX-KRWDZBQOSA-N 2 2 346.519 2.180 10 30 EEEELP C=C(C)C[NH2+][C@H]1CN(C(=O)Cc2cn3cccc(C)c3[nH+]2)C[C@@H]1C ZINC000939317454 776306480 /nfs/dbraw/zinc/30/64/80/776306480.db2.gz XBKMWCBKVRNLGI-RDJZCZTQSA-N 2 2 326.444 2.198 10 30 EEEELP CC(C)N(CC[N@H+](C)Cc1cccc(C#N)c1)C(=O)Cc1c[nH+]c[nH]1 ZINC001442115157 1096346553 /nfs/dbraw/zinc/34/65/53/1096346553.db2.gz CKVAFULUAJLSCX-UHFFFAOYSA-N 2 2 339.443 2.193 10 30 EEEELP CC(C)N(CC[N@@H+](C)Cc1cccc(C#N)c1)C(=O)Cc1c[nH+]c[nH]1 ZINC001442115157 1096346554 /nfs/dbraw/zinc/34/65/54/1096346554.db2.gz CKVAFULUAJLSCX-UHFFFAOYSA-N 2 2 339.443 2.193 10 30 EEEELP C=CCC[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CC[C@@H]1C(F)(F)F ZINC001479626010 1098651532 /nfs/dbraw/zinc/65/15/32/1098651532.db2.gz SMFPXOUSKLESJS-OCCSQVGLSA-N 2 2 344.381 2.145 10 30 EEEELP CC#CC[NH2+]CC[C@H]1CCCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001495359946 1101074388 /nfs/dbraw/zinc/07/43/88/1101074388.db2.gz NQKBHLFNIRUUDC-QGZVFWFLSA-N 2 2 338.455 2.498 10 30 EEEELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CC(=O)NC2(C#N)CCCCC2)C1 ZINC000105896655 529761336 /nfs/dbraw/zinc/76/13/36/529761336.db2.gz NWNKJBXDSKDKJU-INIZCTEOSA-N 2 2 343.475 2.425 10 30 EEEELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CC(=O)NC2(C#N)CCCCC2)C1 ZINC000105896655 529761337 /nfs/dbraw/zinc/76/13/37/529761337.db2.gz NWNKJBXDSKDKJU-INIZCTEOSA-N 2 2 343.475 2.425 10 30 EEEELP C[NH+](C)[C@H]1CCN(c2ccc(NCc3nc(C#N)cs3)[nH+]c2)C1 ZINC000352810654 162295533 /nfs/dbraw/zinc/29/55/33/162295533.db2.gz NTJNERCPXATWPK-AWEZNQCLSA-N 2 2 328.445 2.162 10 30 EEEELP C[C@@H]([NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1)c1ccc(C#N)cc1F ZINC000358551876 465188338 /nfs/dbraw/zinc/18/83/38/465188338.db2.gz CGOKKTKNBFWHMC-CQSZACIVSA-N 2 2 346.450 2.291 10 30 EEEELP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C)c1ccc(C#N)cc1F ZINC000358564922 465195333 /nfs/dbraw/zinc/19/53/33/465195333.db2.gz YHRURONZUWASIA-KDOFPFPSSA-N 2 2 346.450 2.291 10 30 EEEELP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(=O)N(C)C)c1ccc(C#N)cc1F ZINC000358564922 465195335 /nfs/dbraw/zinc/19/53/35/465195335.db2.gz YHRURONZUWASIA-KDOFPFPSSA-N 2 2 346.450 2.291 10 30 EEEELP N#CCCCC[C@@H]([NH3+])C(=O)NCc1[nH+]ccn1CCc1ccccc1 ZINC000594437348 468586672 /nfs/dbraw/zinc/58/66/72/468586672.db2.gz BDMLWIJHCVPRKQ-QGZVFWFLSA-N 2 2 339.443 2.153 10 30 EEEELP C=CCc1cc(C[NH+]2CCC([N@@H+]3CC[C@H](O)C3)CC2)cc(OC)c1O ZINC000668740298 472247989 /nfs/dbraw/zinc/24/79/89/472247989.db2.gz HREUTSQPIGBWHT-SFHVURJKSA-N 2 2 346.471 2.160 10 30 EEEELP C=CCc1cc(C[NH+]2CCC([N@H+]3CC[C@H](O)C3)CC2)cc(OC)c1O ZINC000668740298 472247991 /nfs/dbraw/zinc/24/79/91/472247991.db2.gz HREUTSQPIGBWHT-SFHVURJKSA-N 2 2 346.471 2.160 10 30 EEEELP C[NH+](C)Cc1ccc(C(N)=[NH+]OCc2nc(-c3ccoc3)no2)cc1 ZINC000747838514 577951204 /nfs/dbraw/zinc/95/12/04/577951204.db2.gz DUINEAVFCQZYSK-UHFFFAOYSA-N 2 2 341.371 2.228 10 30 EEEELP C=CCC[C@H](C)[N@H+](C)CCNC(=O)[C@H]1COCC[NH+]1C1CCCC1 ZINC001690971377 1176401308 /nfs/dbraw/zinc/40/13/08/1176401308.db2.gz XDPBETVWGOMOLE-FUHWJXTLSA-N 2 2 337.508 2.033 10 30 EEEELP C=CCC[C@H](C)[N@@H+](C)CCNC(=O)[C@H]1COCC[NH+]1C1CCCC1 ZINC001690971377 1176401310 /nfs/dbraw/zinc/40/13/10/1176401310.db2.gz XDPBETVWGOMOLE-FUHWJXTLSA-N 2 2 337.508 2.033 10 30 EEEELP C=CCC[C@H](C)[NH+](C)CCNC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC001690971377 1176401314 /nfs/dbraw/zinc/40/13/14/1176401314.db2.gz XDPBETVWGOMOLE-FUHWJXTLSA-N 2 2 337.508 2.033 10 30 EEEELP C=CCC[C@H](C)[NH+](C)CCNC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC001690971377 1176401317 /nfs/dbraw/zinc/40/13/17/1176401317.db2.gz XDPBETVWGOMOLE-FUHWJXTLSA-N 2 2 337.508 2.033 10 30 EEEELP C=C(C)CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001691235533 1177750307 /nfs/dbraw/zinc/75/03/07/1177750307.db2.gz BHOJZWWZJOYBKS-YESZJQIVSA-N 2 2 330.476 2.286 10 30 EEEELP C#CCC[NH2+][C@H](C)C1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC001267190130 1178461474 /nfs/dbraw/zinc/46/14/74/1178461474.db2.gz CMPXGAWHILEQCK-MRXNPFEDSA-N 2 2 330.476 2.167 10 30 EEEELP C#CC[NH2+][C@@H](CNC(=O)CCn1cc[nH+]c1)c1ccc(C(C)C)cc1 ZINC001267512642 1179229457 /nfs/dbraw/zinc/22/94/57/1179229457.db2.gz PVCUXNAPJBJQDR-IBGZPJMESA-N 2 2 338.455 2.477 10 30 EEEELP C=CCCC[N@@H+]1CC[C@@H](CCNC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001267557873 1179357813 /nfs/dbraw/zinc/35/78/13/1179357813.db2.gz OBXVSXDCYHOHPG-IAGOWNOFSA-N 2 2 330.476 2.240 10 30 EEEELP C=CCCC[N@H+]1CC[C@@H](CCNC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001267557873 1179357818 /nfs/dbraw/zinc/35/78/18/1179357818.db2.gz OBXVSXDCYHOHPG-IAGOWNOFSA-N 2 2 330.476 2.240 10 30 EEEELP C=CCCC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001267586163 1179551136 /nfs/dbraw/zinc/55/11/36/1179551136.db2.gz LIPUIHHUISRWRL-IRXDYDNUSA-N 2 2 330.476 2.192 10 30 EEEELP C=CCCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001267586163 1179551141 /nfs/dbraw/zinc/55/11/41/1179551141.db2.gz LIPUIHHUISRWRL-IRXDYDNUSA-N 2 2 330.476 2.192 10 30 EEEELP CC#CC[NH+]1CCC[C@H](NC(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001481538720 1181679878 /nfs/dbraw/zinc/67/98/78/1181679878.db2.gz HOXOYTXEBRLEAM-RBUKOAKNSA-N 2 2 327.472 2.283 10 30 EEEELP CC#CC[NH+]1CCC[C@H](NC(=O)[C@@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001481538720 1181679881 /nfs/dbraw/zinc/67/98/81/1181679881.db2.gz HOXOYTXEBRLEAM-RBUKOAKNSA-N 2 2 327.472 2.283 10 30 EEEELP CC#CC[N@H+]1CCC[C@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)CC)C1 ZINC001481538720 1181679885 /nfs/dbraw/zinc/67/98/85/1181679885.db2.gz HOXOYTXEBRLEAM-RBUKOAKNSA-N 2 2 327.472 2.283 10 30 EEEELP CC#CC[N@@H+]1CCC[C@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)CC)C1 ZINC001481538720 1181679887 /nfs/dbraw/zinc/67/98/87/1181679887.db2.gz HOXOYTXEBRLEAM-RBUKOAKNSA-N 2 2 327.472 2.283 10 30 EEEELP CC[C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)[NH2+]CC#Cc1ccccc1 ZINC001269417741 1184253732 /nfs/dbraw/zinc/25/37/32/1184253732.db2.gz PLUFAZVQVUIBGK-RCCFBDPRSA-N 2 2 336.439 2.049 10 30 EEEELP C=CCC[NH+]1CCO[C@H](CNC(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001270690189 1185318455 /nfs/dbraw/zinc/31/84/55/1185318455.db2.gz BELPIVHPKRHMLB-RTBURBONSA-N 2 2 345.487 2.073 10 30 EEEELP C=CCC[NH+]1CCO[C@H](CNC(=O)[C@@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001270690189 1185318461 /nfs/dbraw/zinc/31/84/61/1185318461.db2.gz BELPIVHPKRHMLB-RTBURBONSA-N 2 2 345.487 2.073 10 30 EEEELP C=CCC[N@@H+]1CCO[C@H](CNC(=O)[C@@H](c2ccccc2)[NH+](C)CC)C1 ZINC001270690189 1185318468 /nfs/dbraw/zinc/31/84/68/1185318468.db2.gz BELPIVHPKRHMLB-RTBURBONSA-N 2 2 345.487 2.073 10 30 EEEELP C=CCC[N@H+]1CCO[C@H](CNC(=O)[C@@H](c2ccccc2)[NH+](C)CC)C1 ZINC001270690189 1185318476 /nfs/dbraw/zinc/31/84/76/1185318476.db2.gz BELPIVHPKRHMLB-RTBURBONSA-N 2 2 345.487 2.073 10 30 EEEELP C#CCC[NH2+]C[C@@H](NC(=O)[C@@H]1CCc2[nH+]ccn2C1)C1CCCCC1 ZINC001482405390 1185626938 /nfs/dbraw/zinc/62/69/38/1185626938.db2.gz CTKBUQGFMOURPJ-QZTJIDSGSA-N 2 2 342.487 2.124 10 30 EEEELP C[C@@H](C[NH2+]CC#Cc1ccccc1)N(C)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001271170823 1186047609 /nfs/dbraw/zinc/04/76/09/1186047609.db2.gz NACVIEZMFGAYTR-INIZCTEOSA-N 2 2 338.455 2.176 10 30 EEEELP C=C(Cl)C[NH2+]C[C@]1(C)CCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001484099976 1191210653 /nfs/dbraw/zinc/21/06/53/1191210653.db2.gz KURSDZQGYQLSBN-YOEHRIQHSA-N 2 2 336.867 2.026 10 30 EEEELP C#CC[NH+]1CCC(C)(CNC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001484138724 1191229494 /nfs/dbraw/zinc/22/94/94/1191229494.db2.gz KJDDQFMDHJEXDR-QGZVFWFLSA-N 2 2 330.476 2.322 10 30 EEEELP C=C(CC[NH+](C)C)C(=O)Nc1cc(C[NH+]2CCOCC2)ccc1C ZINC000900779890 1234806666 /nfs/dbraw/zinc/80/66/66/1234806666.db2.gz XLXGCHBWVMTACR-UHFFFAOYSA-N 2 2 331.460 2.274 10 30 EEEELP C#CCC[N@H+]1CCC[C@@H](CNC(=O)Cc2cn3cccc(C)c3[nH+]2)C1 ZINC001491122828 1258720892 /nfs/dbraw/zinc/72/08/92/1258720892.db2.gz MQFFQPYXNZOBPH-KRWDZBQOSA-N 2 2 338.455 2.037 10 30 EEEELP C#CCC[N@@H+]1CCC[C@@H](CNC(=O)Cc2cn3cccc(C)c3[nH+]2)C1 ZINC001491122828 1258720897 /nfs/dbraw/zinc/72/08/97/1258720897.db2.gz MQFFQPYXNZOBPH-KRWDZBQOSA-N 2 2 338.455 2.037 10 30 EEEELP COC(=O)C1=CC[C@H]([NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000858471432 1294126275 /nfs/dbraw/zinc/12/62/75/1294126275.db2.gz BUACUSGECQIZBW-IBGZPJMESA-N 2 2 339.439 2.374 10 30 EEEELP C=CCC[NH2+]C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)CC[C@H]1C(F)(F)F ZINC001264038094 1322594916 /nfs/dbraw/zinc/59/49/16/1322594916.db2.gz DJLDGSSFFNABQC-ZIAGYGMSSA-N 2 2 344.381 2.076 10 30 EEEELP C#CC[N@@H+]1CC[C@]2(NC(=O)[C@H](CC(C)C)n3cc[nH+]c3)CCC[C@H]12 ZINC001284056207 1326384643 /nfs/dbraw/zinc/38/46/43/1326384643.db2.gz GAEMZVRVXDNILY-JENIJYKNSA-N 2 2 328.460 2.217 10 30 EEEELP C#CC[N@H+]1CC[C@]2(NC(=O)[C@H](CC(C)C)n3cc[nH+]c3)CCC[C@H]12 ZINC001284056207 1326384647 /nfs/dbraw/zinc/38/46/47/1326384647.db2.gz GAEMZVRVXDNILY-JENIJYKNSA-N 2 2 328.460 2.217 10 30 EEEELP C#CC[NH2+][C@H](CCNC(=O)c1cccc2[nH+]ccn21)Cc1ccccc1 ZINC001284148167 1326435156 /nfs/dbraw/zinc/43/51/56/1326435156.db2.gz GMEIDEITQLDAGR-GOSISDBHSA-N 2 2 346.434 2.288 10 30 EEEELP C=C(C)CC[NH2+][C@H]1CN(C(=O)[C@H]2CCn3c[nH+]cc3C2)CC1(C)C ZINC001284292338 1326491537 /nfs/dbraw/zinc/49/15/37/1326491537.db2.gz FOPMMBLVRUUWOW-RDJZCZTQSA-N 2 2 330.476 2.238 10 30 EEEELP C=CCCC[N@H+]1CC=C(CNC(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC001284929840 1326781662 /nfs/dbraw/zinc/78/16/62/1326781662.db2.gz NWBNGVIHYZTIIB-KRWDZBQOSA-N 2 2 328.460 2.160 10 30 EEEELP C=CCCC[N@@H+]1CC=C(CNC(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC001284929840 1326781664 /nfs/dbraw/zinc/78/16/64/1326781664.db2.gz NWBNGVIHYZTIIB-KRWDZBQOSA-N 2 2 328.460 2.160 10 30 EEEELP C=C(C)CC[N@H+](CC)CCNC(=O)[C@@H]1COCC[NH+]1C1CCCC1 ZINC001317485316 1332261129 /nfs/dbraw/zinc/26/11/29/1332261129.db2.gz YDRFFBZPUQUYDV-SFHVURJKSA-N 2 2 337.508 2.034 10 30 EEEELP C=C(C)CC[N@@H+](CC)CCNC(=O)[C@@H]1COCC[NH+]1C1CCCC1 ZINC001317485316 1332261132 /nfs/dbraw/zinc/26/11/32/1332261132.db2.gz YDRFFBZPUQUYDV-SFHVURJKSA-N 2 2 337.508 2.034 10 30 EEEELP C=C(C)CC[NH+](CC)CCNC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC001317485316 1332261134 /nfs/dbraw/zinc/26/11/34/1332261134.db2.gz YDRFFBZPUQUYDV-SFHVURJKSA-N 2 2 337.508 2.034 10 30 EEEELP C=C(C)CC[NH+](CC)CCNC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC001317485316 1332261137 /nfs/dbraw/zinc/26/11/37/1332261137.db2.gz YDRFFBZPUQUYDV-SFHVURJKSA-N 2 2 337.508 2.034 10 30 EEEELP C=CCC[NH2+]CCC1CCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC001318897185 1332620192 /nfs/dbraw/zinc/62/01/92/1332620192.db2.gz YRSJACUCZFXXBH-KRWDZBQOSA-N 2 2 330.476 2.240 10 30 EEEELP C#CCC[N@@H+](C)CCC1CCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC001319881978 1332791514 /nfs/dbraw/zinc/79/15/14/1332791514.db2.gz YCCRMTDITZMNOA-SFHVURJKSA-N 2 2 342.487 2.029 10 30 EEEELP C#CCC[N@H+](C)CCC1CCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC001319881978 1332791516 /nfs/dbraw/zinc/79/15/16/1332791516.db2.gz YCCRMTDITZMNOA-SFHVURJKSA-N 2 2 342.487 2.029 10 30 EEEELP C[N@@H+](CC#Cc1ccc(Cl)cc1)CCNC(=O)[C@H]1CCCC[NH+]1C ZINC001567289054 1342733833 /nfs/dbraw/zinc/73/38/33/1342733833.db2.gz SJWCNWDVZAWGQI-GOSISDBHSA-N 2 2 347.890 2.224 10 30 EEEELP C[N@H+](CC#Cc1ccc(Cl)cc1)CCNC(=O)[C@H]1CCCC[NH+]1C ZINC001567289054 1342733835 /nfs/dbraw/zinc/73/38/35/1342733835.db2.gz SJWCNWDVZAWGQI-GOSISDBHSA-N 2 2 347.890 2.224 10 30 EEEELP C[NH+](CC#Cc1ccc(Cl)cc1)CCNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001567289054 1342733838 /nfs/dbraw/zinc/73/38/38/1342733838.db2.gz SJWCNWDVZAWGQI-GOSISDBHSA-N 2 2 347.890 2.224 10 30 EEEELP C[NH+](CC#Cc1ccc(Cl)cc1)CCNC(=O)[C@H]1CCCC[N@H+]1C ZINC001567289054 1342733840 /nfs/dbraw/zinc/73/38/40/1342733840.db2.gz SJWCNWDVZAWGQI-GOSISDBHSA-N 2 2 347.890 2.224 10 30 EEEELP C=C(C)CC[N@@H+]1CC[C@@]2(NC(=O)CCc3c[nH+]cn3C)CCC[C@@H]12 ZINC001676819940 1357212501 /nfs/dbraw/zinc/21/25/01/1357212501.db2.gz DYVIXCZFJSORNQ-MJGOQNOKSA-N 2 2 330.476 2.432 10 30 EEEELP C=C(C)CC[N@H+]1CC[C@@]2(NC(=O)CCc3c[nH+]cn3C)CCC[C@@H]12 ZINC001676819940 1357212505 /nfs/dbraw/zinc/21/25/05/1357212505.db2.gz DYVIXCZFJSORNQ-MJGOQNOKSA-N 2 2 330.476 2.432 10 30 EEEELP C#CCC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)C(C)(C)n3c[nH+]c(C)c3)C[C@@H]21 ZINC001676837709 1357216867 /nfs/dbraw/zinc/21/68/67/1357216867.db2.gz LZPNMLKJFIOLCG-FGTMMUONSA-N 2 2 342.487 2.167 10 30 EEEELP C=CCCC[NH2+]C[C@](C)(NC(=O)[C@H]1CCc2c[nH+]cn2C1)C1CC1 ZINC001666004876 1355423682 /nfs/dbraw/zinc/42/36/82/1355423682.db2.gz KPJGEDUOCQNRRE-KXBFYZLASA-N 2 2 330.476 2.286 10 30 EEEELP C=CCC[C@@H](C)[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CCc4[nH+]ccn4C3)C[C@H]2C1 ZINC001699989159 1405640738 /nfs/dbraw/zinc/64/07/38/1405640738.db2.gz GSMKQWSWZSGPRZ-TVFCKZIOSA-N 2 2 342.487 2.190 10 30 EEEELP C=CCC[C@@H](C)[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CCc4[nH+]ccn4C3)C[C@H]2C1 ZINC001699989159 1405640742 /nfs/dbraw/zinc/64/07/42/1405640742.db2.gz GSMKQWSWZSGPRZ-TVFCKZIOSA-N 2 2 342.487 2.190 10 30 EEEELP C=CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)C(C)(C)C1 ZINC000940850757 779431786 /nfs/dbraw/zinc/43/17/86/779431786.db2.gz MTGPQOHUPDMLLL-HZPDHXFCSA-N 2 2 330.476 2.238 10 30 EEEELP C=CCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)C(C)(C)C1 ZINC000940850757 779431790 /nfs/dbraw/zinc/43/17/90/779431790.db2.gz MTGPQOHUPDMLLL-HZPDHXFCSA-N 2 2 330.476 2.238 10 30 EEEELP C[C@@H](C[N@H+](C)Cc1cccc(C#N)c1)NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001445824614 1091709087 /nfs/dbraw/zinc/70/90/87/1091709087.db2.gz RQWFNAXKWBNSEG-GJZGRUSLSA-N 2 2 339.443 2.097 10 30 EEEELP C[C@@H](C[N@@H+](C)Cc1cccc(C#N)c1)NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001445824614 1091709091 /nfs/dbraw/zinc/70/90/91/1091709091.db2.gz RQWFNAXKWBNSEG-GJZGRUSLSA-N 2 2 339.443 2.097 10 30 EEEELP C[NH+](C)CCCC(=O)N[C@]1(C)CC[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC001439845754 1092857802 /nfs/dbraw/zinc/85/78/02/1092857802.db2.gz DMIMXOMPBOMLTR-LJQANCHMSA-N 2 2 346.450 2.120 10 30 EEEELP C[NH+](C)CCCC(=O)N[C@]1(C)CC[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC001439845754 1092857806 /nfs/dbraw/zinc/85/78/06/1092857806.db2.gz DMIMXOMPBOMLTR-LJQANCHMSA-N 2 2 346.450 2.120 10 30 EEEELP C=C(Cl)C[NH2+]C[C@H]1CCCCN1C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001440274968 1093391624 /nfs/dbraw/zinc/39/16/24/1093391624.db2.gz TWYHQAQGFRWZKF-HUUCEWRRSA-N 2 2 336.867 2.169 10 30 EEEELP C=C(Cl)C[NH2+]CC1(NC(=O)c2cc3c[nH+]ccc3[nH]2)CCOCC1 ZINC001440570930 1093838045 /nfs/dbraw/zinc/83/80/45/1093838045.db2.gz GZANRNSKRXEJON-UHFFFAOYSA-N 2 2 348.834 2.184 10 30 EEEELP CCN(CC[NH2+]CC#Cc1ccccc1)C(=O)CCCn1cc[nH+]c1 ZINC001497507108 1102599274 /nfs/dbraw/zinc/59/92/74/1102599274.db2.gz ZGFGACSEZLPSHU-UHFFFAOYSA-N 2 2 338.455 2.153 10 30 EEEELP C=CCC[NH2+][C@@H](C)C1CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC001493831348 1108713703 /nfs/dbraw/zinc/71/37/03/1108713703.db2.gz NLYQLBZVZCAEBU-DOTOQJQBSA-N 2 2 330.476 2.238 10 30 EEEELP C=CCOCC[N@H+]1CCC[C@H](NC(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001502138295 1113611940 /nfs/dbraw/zinc/61/19/40/1113611940.db2.gz RQIUIKYGQWVAEB-IRXDYDNUSA-N 2 2 334.464 2.008 10 30 EEEELP C=CCOCC[N@@H+]1CCC[C@H](NC(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001502138295 1113611942 /nfs/dbraw/zinc/61/19/42/1113611942.db2.gz RQIUIKYGQWVAEB-IRXDYDNUSA-N 2 2 334.464 2.008 10 30 EEEELP C=CCC[N@@H+](C)C1CCN(C(=O)Cc2cn3c([nH+]2)CCCC3)CC1 ZINC001506958645 1115006107 /nfs/dbraw/zinc/00/61/07/1115006107.db2.gz WMMBAYGIWXQNTA-UHFFFAOYSA-N 2 2 330.476 2.261 10 30 EEEELP C=CCC[N@H+](C)C1CCN(C(=O)Cc2cn3c([nH+]2)CCCC3)CC1 ZINC001506958645 1115006110 /nfs/dbraw/zinc/00/61/10/1115006110.db2.gz WMMBAYGIWXQNTA-UHFFFAOYSA-N 2 2 330.476 2.261 10 30 EEEELP C=CC[NH2+]C[C@H](NC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1)C(C)(C)C ZINC001507950445 1115379012 /nfs/dbraw/zinc/37/90/12/1115379012.db2.gz YTAWHYLMAZTYND-HOTGVXAUSA-N 2 2 333.480 2.097 10 30 EEEELP C=CC[NH2+]C[C@H](NC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1)C(C)(C)C ZINC001507950445 1115379014 /nfs/dbraw/zinc/37/90/14/1115379014.db2.gz YTAWHYLMAZTYND-HOTGVXAUSA-N 2 2 333.480 2.097 10 30 EEEELP CC#CC[NH2+]C[C@H](NC(=O)[C@H]1CCn2c[nH+]cc2C1)C1CCCCC1 ZINC001568343745 1124428505 /nfs/dbraw/zinc/42/85/05/1124428505.db2.gz PBTLDFAECSHUSX-HKUYNNGSSA-N 2 2 342.487 2.124 10 30 EEEELP C[C@@H](CC[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)[S@@](C)=O ZINC000344298913 161215352 /nfs/dbraw/zinc/21/53/52/161215352.db2.gz DOMAQGLXXLRMIX-NPMXOYFQSA-N 2 2 333.501 2.269 10 30 EEEELP C[NH+](C)CCCOc1cnccc1C[NH2+]Cc1nc(C#N)cs1 ZINC000352931090 162351330 /nfs/dbraw/zinc/35/13/30/162351330.db2.gz FADMJORHSMNRPH-UHFFFAOYSA-N 2 2 331.445 2.030 10 30 EEEELP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2oc(C)c(C)c2C#N)[C@H](C)C1 ZINC000125774667 276213604 /nfs/dbraw/zinc/21/36/04/276213604.db2.gz OXVGZNGESRPEOX-MLGOLLRUSA-N 2 2 332.448 2.369 10 30 EEEELP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2oc(C)c(C)c2C#N)[C@H](C)C1 ZINC000125774667 276213607 /nfs/dbraw/zinc/21/36/07/276213607.db2.gz OXVGZNGESRPEOX-MLGOLLRUSA-N 2 2 332.448 2.369 10 30 EEEELP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)Nc2oc(C)c(C)c2C#N)[C@H](C)C1 ZINC000125774667 276213609 /nfs/dbraw/zinc/21/36/09/276213609.db2.gz OXVGZNGESRPEOX-MLGOLLRUSA-N 2 2 332.448 2.369 10 30 EEEELP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)Nc2oc(C)c(C)c2C#N)[C@H](C)C1 ZINC000125774667 276213611 /nfs/dbraw/zinc/21/36/11/276213611.db2.gz OXVGZNGESRPEOX-MLGOLLRUSA-N 2 2 332.448 2.369 10 30 EEEELP N#Cc1ccc2[nH+]cc(CNc3cccc(C[N@H+]4CC[C@H](O)C4)c3)n2c1 ZINC000567007515 319339474 /nfs/dbraw/zinc/33/94/74/319339474.db2.gz ZOFWYCGERMDUFQ-IBGZPJMESA-N 2 2 347.422 2.385 10 30 EEEELP N#Cc1ccc2[nH+]cc(CNc3cccc(C[N@@H+]4CC[C@H](O)C4)c3)n2c1 ZINC000567007515 319339476 /nfs/dbraw/zinc/33/94/76/319339476.db2.gz ZOFWYCGERMDUFQ-IBGZPJMESA-N 2 2 347.422 2.385 10 30 EEEELP Cc1cn2c([nH+]1)[C@H](CNC(=O)N1CC[N@@H+](C)C[C@@H]1C(C)C)CCC2 ZINC000328649631 465088341 /nfs/dbraw/zinc/08/83/41/465088341.db2.gz ITZWPGBQNBSYFO-JKSUJKDBSA-N 2 2 333.480 2.255 10 30 EEEELP Cc1cn2c([nH+]1)[C@H](CNC(=O)N1CC[N@H+](C)C[C@@H]1C(C)C)CCC2 ZINC000328649631 465088346 /nfs/dbraw/zinc/08/83/46/465088346.db2.gz ITZWPGBQNBSYFO-JKSUJKDBSA-N 2 2 333.480 2.255 10 30 EEEELP C[C@@H](C(=O)N(C)CCC#N)[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282112061 464701373 /nfs/dbraw/zinc/70/13/73/464701373.db2.gz QBHTYYKFOUYLBI-HOTGVXAUSA-N 2 2 343.475 2.159 10 30 EEEELP C[C@@H](C(=O)N(C)CCC#N)[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282112061 464701376 /nfs/dbraw/zinc/70/13/76/464701376.db2.gz QBHTYYKFOUYLBI-HOTGVXAUSA-N 2 2 343.475 2.159 10 30 EEEELP COc1c[nH+]ccc1N1CC[NH+](CC#Cc2ccc(F)cc2)CC1 ZINC000361528573 466077242 /nfs/dbraw/zinc/07/72/42/466077242.db2.gz AMGRAQSSCJWUSQ-UHFFFAOYSA-N 2 2 325.387 2.403 10 30 EEEELP C=CCn1cc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)nn1 ZINC000424293838 467023558 /nfs/dbraw/zinc/02/35/58/467023558.db2.gz JPWPEGLOZFDMEW-VQIMIIECSA-N 2 2 325.460 2.464 10 30 EEEELP C=CCn1cc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)nn1 ZINC000424293838 467023561 /nfs/dbraw/zinc/02/35/61/467023561.db2.gz JPWPEGLOZFDMEW-VQIMIIECSA-N 2 2 325.460 2.464 10 30 EEEELP N#CCCCC[C@H]([NH3+])C(=O)NCc1cc[nH+]c(N2CCCCCC2)c1 ZINC000594437369 468586516 /nfs/dbraw/zinc/58/65/16/468586516.db2.gz JNYFBSZROUANEG-KRWDZBQOSA-N 2 2 343.475 2.489 10 30 EEEELP N#CC1(C[C@@H](O)C[NH2+]C2CC([NH+]3CCC(C(F)(F)F)CC3)C2)CC1 ZINC000600734989 468641789 /nfs/dbraw/zinc/64/17/89/468641789.db2.gz JFBHQGHEVPJHMB-YMAMQOFZSA-N 2 2 345.409 2.436 10 30 EEEELP C=CC[C@]1(C(=O)NC[C@H](c2c(F)cccc2F)[NH+](C)C)CCC[NH2+]1 ZINC000662735885 472227739 /nfs/dbraw/zinc/22/77/39/472227739.db2.gz ZKCXOMWYCSKWNJ-CRAIPNDOSA-N 2 2 337.414 2.382 10 30 EEEELP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](CC)Cc1cccc(F)c1F ZINC001266394245 1176467109 /nfs/dbraw/zinc/46/71/09/1176467109.db2.gz MBCNAWPHEOLDCD-KRWDZBQOSA-N 2 2 349.425 2.001 10 30 EEEELP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@H+](CC)Cc1cccc(F)c1F ZINC001266394245 1176467113 /nfs/dbraw/zinc/46/71/13/1176467113.db2.gz MBCNAWPHEOLDCD-KRWDZBQOSA-N 2 2 349.425 2.001 10 30 EEEELP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH+](CC)Cc1cccc(F)c1F ZINC001266394245 1176467117 /nfs/dbraw/zinc/46/71/17/1176467117.db2.gz MBCNAWPHEOLDCD-KRWDZBQOSA-N 2 2 349.425 2.001 10 30 EEEELP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](CC)Cc1cccc(F)c1F ZINC001266394245 1176467118 /nfs/dbraw/zinc/46/71/18/1176467118.db2.gz MBCNAWPHEOLDCD-KRWDZBQOSA-N 2 2 349.425 2.001 10 30 EEEELP C=CCCC[NH2+]C1CCC(NC(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC001266911977 1177783994 /nfs/dbraw/zinc/78/39/94/1177783994.db2.gz QGYBPVGSJNGRDE-GTPINHCMSA-N 2 2 330.476 2.429 10 30 EEEELP C=C(Br)C[NH2+]CCN(C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001481245980 1180435972 /nfs/dbraw/zinc/43/59/72/1180435972.db2.gz LNKYZLLGEDJUGI-UHFFFAOYSA-N 2 2 337.221 2.133 10 30 EEEELP CC#CC[N@H+]1CC[C@@H](N(CCC)C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001481406091 1181232285 /nfs/dbraw/zinc/23/22/85/1181232285.db2.gz OYDOHYBTKZKEKE-IEBWSBKVSA-N 2 2 342.487 2.090 10 30 EEEELP CC#CC[N@@H+]1CC[C@@H](N(CCC)C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001481406091 1181232292 /nfs/dbraw/zinc/23/22/92/1181232292.db2.gz OYDOHYBTKZKEKE-IEBWSBKVSA-N 2 2 342.487 2.090 10 30 EEEELP C#CCC[NH2+][C@@H]1CCN(C(=O)Cc2cn3cccc(C)c3[nH+]2)C[C@H]1C ZINC001268140289 1181802236 /nfs/dbraw/zinc/80/22/36/1181802236.db2.gz XIPUOKJTJCNLEE-SJLPKXTDSA-N 2 2 338.455 2.035 10 30 EEEELP C[NH+](C)CCCC(=O)NCC1C[NH+](CC#Cc2cccc(Cl)c2)C1 ZINC001481641024 1182018806 /nfs/dbraw/zinc/01/88/06/1182018806.db2.gz IUJLNXPOPFXQJT-UHFFFAOYSA-N 2 2 347.890 2.081 10 30 EEEELP C#CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H](CC(C)C)n1cc[nH+]c1)C2 ZINC001271736474 1186444615 /nfs/dbraw/zinc/44/46/15/1186444615.db2.gz LMFYXNKPMXJNET-RDGPPVDQSA-N 2 2 342.487 2.463 10 30 EEEELP C#CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H](CC(C)C)n1cc[nH+]c1)C2 ZINC001271736474 1186444618 /nfs/dbraw/zinc/44/46/18/1186444618.db2.gz LMFYXNKPMXJNET-RDGPPVDQSA-N 2 2 342.487 2.463 10 30 EEEELP C=CCC[C@@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)CCc3c[nH+]cn3C)C[C@@H]2C1 ZINC001691582083 1188281210 /nfs/dbraw/zinc/28/12/10/1188281210.db2.gz PAIRILAOYHJAMV-KURKYZTESA-N 2 2 344.503 2.488 10 30 EEEELP C=CCC[C@@H](C)[N@H+]1CC[C@@H]2CN(C(=O)CCc3c[nH+]cn3C)C[C@@H]2C1 ZINC001691582083 1188281214 /nfs/dbraw/zinc/28/12/14/1188281214.db2.gz PAIRILAOYHJAMV-KURKYZTESA-N 2 2 344.503 2.488 10 30 EEEELP C#CCC[N@H+]1CC[C@@]2(CCN(C(=O)[C@H](CC(C)C)n3cc[nH+]c3)C2)C1 ZINC001483842463 1191075810 /nfs/dbraw/zinc/07/58/10/1191075810.db2.gz OAKIPOOORPERCD-AZUAARDMSA-N 2 2 342.487 2.418 10 30 EEEELP C#CCC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H](CC(C)C)n3cc[nH+]c3)C2)C1 ZINC001483842463 1191075812 /nfs/dbraw/zinc/07/58/12/1191075812.db2.gz OAKIPOOORPERCD-AZUAARDMSA-N 2 2 342.487 2.418 10 30 EEEELP C=CC[NH+]1CCC[C@](C)(CNC(=O)c2cc([C@H]3CCC[N@H+]3C)n[nH]2)C1 ZINC001484160884 1191249094 /nfs/dbraw/zinc/24/90/94/1191249094.db2.gz LGFMIVNWDFYSNP-IEBWSBKVSA-N 2 2 345.491 2.194 10 30 EEEELP C=CC[NH+]1CCC[C@](C)(CNC(=O)c2cc([C@H]3CCC[N@@H+]3C)n[nH]2)C1 ZINC001484160884 1191249096 /nfs/dbraw/zinc/24/90/96/1191249096.db2.gz LGFMIVNWDFYSNP-IEBWSBKVSA-N 2 2 345.491 2.194 10 30 EEEELP C=CC[N@H+]1CCC[C@](C)(CNC(=O)c2cc([C@H]3CCC[NH+]3C)n[nH]2)C1 ZINC001484160884 1191249097 /nfs/dbraw/zinc/24/90/97/1191249097.db2.gz LGFMIVNWDFYSNP-IEBWSBKVSA-N 2 2 345.491 2.194 10 30 EEEELP C=CC[N@@H+]1CCC[C@](C)(CNC(=O)c2cc([C@H]3CCC[NH+]3C)n[nH]2)C1 ZINC001484160884 1191249099 /nfs/dbraw/zinc/24/90/99/1191249099.db2.gz LGFMIVNWDFYSNP-IEBWSBKVSA-N 2 2 345.491 2.194 10 30 EEEELP C#CCC[N@H+]1CCC[C@@](C)(CNC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001484161883 1191250271 /nfs/dbraw/zinc/25/02/71/1191250271.db2.gz VBJZEAXUZGDSEI-FQEVSTJZSA-N 2 2 342.487 2.004 10 30 EEEELP C#CCC[N@@H+]1CCC[C@@](C)(CNC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001484161883 1191250273 /nfs/dbraw/zinc/25/02/73/1191250273.db2.gz VBJZEAXUZGDSEI-FQEVSTJZSA-N 2 2 342.487 2.004 10 30 EEEELP C=CCCC[NH+]1CCC(CO)(NC(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001485019832 1191618121 /nfs/dbraw/zinc/61/81/21/1191618121.db2.gz NPZVYIMUJVEZCL-UHFFFAOYSA-N 2 2 342.443 2.086 10 30 EEEELP C=CCOCC[N@@H+]1CCC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001273428524 1198811480 /nfs/dbraw/zinc/81/14/80/1198811480.db2.gz PGNTXYJEECWPIN-INIZCTEOSA-N 2 2 342.443 2.350 10 30 EEEELP C=CCOCC[N@H+]1CCC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001273428524 1198811485 /nfs/dbraw/zinc/81/14/85/1198811485.db2.gz PGNTXYJEECWPIN-INIZCTEOSA-N 2 2 342.443 2.350 10 30 EEEELP C=C(C)CC[NH2+][C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CC[C@@H]1C(F)(F)F ZINC001279174873 1205285261 /nfs/dbraw/zinc/28/52/61/1205285261.db2.gz XBJTWGLZEJPIKT-STQMWFEESA-N 2 2 344.381 2.287 10 30 EEEELP Cc1cc(C#N)cc(C)c1C[NH+]1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000930071076 1206532797 /nfs/dbraw/zinc/53/27/97/1206532797.db2.gz BEMMAKWIWRCQST-IBGZPJMESA-N 2 2 340.471 2.089 10 30 EEEELP Cc1cc(C#N)cc(C)c1C[NH+]1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000930071076 1206532798 /nfs/dbraw/zinc/53/27/98/1206532798.db2.gz BEMMAKWIWRCQST-IBGZPJMESA-N 2 2 340.471 2.089 10 30 EEEELP C=CCC[C@@H](C)[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001691742775 1215009514 /nfs/dbraw/zinc/00/95/14/1215009514.db2.gz KCDXMTZWFKZTGY-NQNKBUKLSA-N 2 2 330.476 2.363 10 30 EEEELP CC#CC[N@H+]1CC[C@H](NC(=O)[C@H](c2ccccc2)[NH+](C)C)[C@H]1CC ZINC001489146961 1290406903 /nfs/dbraw/zinc/40/69/03/1290406903.db2.gz CRHRXLPFJWFXIH-OTWHNJEPSA-N 2 2 327.472 2.282 10 30 EEEELP CC#CC[N@@H+]1CC[C@H](NC(=O)[C@H](c2ccccc2)[NH+](C)C)[C@H]1CC ZINC001489146961 1290406910 /nfs/dbraw/zinc/40/69/10/1290406910.db2.gz CRHRXLPFJWFXIH-OTWHNJEPSA-N 2 2 327.472 2.282 10 30 EEEELP C#CCN(C(=O)c1ccc(-n2cc[nH+]c2)cc1)C1CC[NH+](CC)CC1 ZINC001278169507 1306148051 /nfs/dbraw/zinc/14/80/51/1306148051.db2.gz NPPCKKQKNOSQLM-UHFFFAOYSA-N 2 2 336.439 2.432 10 30 EEEELP C#CC[NH+]1CCC([NH2+]C[C@@H](O)c2cccc(Br)c2)CC1 ZINC001262557621 1322323013 /nfs/dbraw/zinc/32/30/13/1322323013.db2.gz HLOWLKPAZWIYHE-MRXNPFEDSA-N 2 2 337.261 2.170 10 30 EEEELP C=C(C)CC[NH2+]C[C@@H]1CCN(C(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001265979783 1323540091 /nfs/dbraw/zinc/54/00/91/1323540091.db2.gz SZHPVHGNXIQQGL-INIZCTEOSA-N 2 2 330.476 2.166 10 30 EEEELP C=C(C)C[N@H+](CC)CCCNC(=O)[C@H]1COCC[NH+]1C1CCCC1 ZINC001266073911 1323628667 /nfs/dbraw/zinc/62/86/67/1323628667.db2.gz QSWOKHODKHFTEB-GOSISDBHSA-N 2 2 337.508 2.034 10 30 EEEELP C=C(C)C[N@@H+](CC)CCCNC(=O)[C@H]1COCC[NH+]1C1CCCC1 ZINC001266073911 1323628671 /nfs/dbraw/zinc/62/86/71/1323628671.db2.gz QSWOKHODKHFTEB-GOSISDBHSA-N 2 2 337.508 2.034 10 30 EEEELP C=C(C)C[NH+](CC)CCCNC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC001266073911 1323628675 /nfs/dbraw/zinc/62/86/75/1323628675.db2.gz QSWOKHODKHFTEB-GOSISDBHSA-N 2 2 337.508 2.034 10 30 EEEELP C=C(C)C[NH+](CC)CCCNC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC001266073911 1323628678 /nfs/dbraw/zinc/62/86/78/1323628678.db2.gz QSWOKHODKHFTEB-GOSISDBHSA-N 2 2 337.508 2.034 10 30 EEEELP C#CCC[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001266102412 1323666002 /nfs/dbraw/zinc/66/60/02/1323666002.db2.gz JRYQINJSBRTMEA-ZWKOTPCHSA-N 2 2 330.476 2.416 10 30 EEEELP C#CCC[N@H+](C)[C@H]1CCCN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001266102412 1323666011 /nfs/dbraw/zinc/66/60/11/1323666011.db2.gz JRYQINJSBRTMEA-ZWKOTPCHSA-N 2 2 330.476 2.416 10 30 EEEELP CC#CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001280747882 1324475371 /nfs/dbraw/zinc/47/53/71/1324475371.db2.gz XLBUTXJMDJLZGB-QZTJIDSGSA-N 2 2 330.476 2.464 10 30 EEEELP CC#CC[N@H+]1CCC[C@@H](NC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001280747882 1324475375 /nfs/dbraw/zinc/47/53/75/1324475375.db2.gz XLBUTXJMDJLZGB-QZTJIDSGSA-N 2 2 330.476 2.464 10 30 EEEELP C=C(C)CC[NH2+]CC1CC(NC(=O)c2cc([C@H]3CCC[N@H+]3C)n[nH]2)C1 ZINC001282010803 1325568945 /nfs/dbraw/zinc/56/89/45/1325568945.db2.gz MMVBXFFRLLFZKL-JTTJXQCZSA-N 2 2 345.491 2.241 10 30 EEEELP C=C(C)CC[NH2+]CC1CC(NC(=O)c2cc([C@H]3CCC[N@@H+]3C)n[nH]2)C1 ZINC001282010803 1325568953 /nfs/dbraw/zinc/56/89/53/1325568953.db2.gz MMVBXFFRLLFZKL-JTTJXQCZSA-N 2 2 345.491 2.241 10 30 EEEELP C=C(C)CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001283546220 1326124696 /nfs/dbraw/zinc/12/46/96/1326124696.db2.gz XCSKUMNUQPSUEN-ZACQAIPSSA-N 2 2 330.476 2.316 10 30 EEEELP C=CCCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001317179244 1332116464 /nfs/dbraw/zinc/11/64/64/1332116464.db2.gz RBTWFBHVJZTQTD-BRWVUGGUSA-N 2 2 330.476 2.461 10 30 EEEELP C=CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001317179244 1332116466 /nfs/dbraw/zinc/11/64/66/1332116466.db2.gz RBTWFBHVJZTQTD-BRWVUGGUSA-N 2 2 330.476 2.461 10 30 EEEELP C[C@H](CNC(=O)CCn1cc[nH+]c1)[NH2+]CC#Cc1ccc(Cl)cc1 ZINC001317255260 1332154708 /nfs/dbraw/zinc/15/47/08/1332154708.db2.gz PMZHLBGHXWYZSO-OAHLLOKOSA-N 2 2 344.846 2.073 10 30 EEEELP C=C(C)CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001317841537 1332428258 /nfs/dbraw/zinc/42/82/58/1332428258.db2.gz DSZKYURKVFRGEJ-DLBZAZTESA-N 2 2 330.476 2.192 10 30 EEEELP C=C(C)CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001317841537 1332428262 /nfs/dbraw/zinc/42/82/62/1332428262.db2.gz DSZKYURKVFRGEJ-DLBZAZTESA-N 2 2 330.476 2.192 10 30 EEEELP COCC#CC[NH2+][C@@H](CNC(=O)c1c(C)cc(C)[nH+]c1C)C(C)C ZINC001319930635 1332798987 /nfs/dbraw/zinc/79/89/87/1332798987.db2.gz WCTHDIDQNKQZPA-KRWDZBQOSA-N 2 2 331.460 2.001 10 30 EEEELP C=C(Br)C[NH2+]CCCN(C)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001322794017 1333327800 /nfs/dbraw/zinc/32/78/00/1333327800.db2.gz ZWNNQIRKYWOUGC-UHFFFAOYSA-N 2 2 343.269 2.034 10 30 EEEELP C=CCOCC[NH2+][C@@H]1CCN(C(=O)c2cccc3[nH+]ccn32)[C@@H](C)C1 ZINC001324070825 1333601723 /nfs/dbraw/zinc/60/17/23/1333601723.db2.gz BVSSTKXFPOAXDA-JKSUJKDBSA-N 2 2 342.443 2.120 10 30 EEEELP C=CCn1c([C@H]2CCC[NH+]2C)nnc1N1CC[N@H+](C)[C@@H](C(C)C)C1 ZINC001340491616 1337195212 /nfs/dbraw/zinc/19/52/12/1337195212.db2.gz JOXFAIQDYDYLBN-HZPDHXFCSA-N 2 2 332.496 2.007 10 30 EEEELP C=CCn1c([C@H]2CCC[NH+]2C)nnc1N1CC[N@@H+](C)[C@@H](C(C)C)C1 ZINC001340491616 1337195213 /nfs/dbraw/zinc/19/52/13/1337195213.db2.gz JOXFAIQDYDYLBN-HZPDHXFCSA-N 2 2 332.496 2.007 10 30 EEEELP C=CCn1c([C@H]2CCC[N@@H+]2C)nnc1N1CC[NH+](C)[C@@H](C(C)C)C1 ZINC001340491616 1337195215 /nfs/dbraw/zinc/19/52/15/1337195215.db2.gz JOXFAIQDYDYLBN-HZPDHXFCSA-N 2 2 332.496 2.007 10 30 EEEELP C=CCn1c([C@H]2CCC[N@H+]2C)nnc1N1CC[NH+](C)[C@@H](C(C)C)C1 ZINC001340491616 1337195217 /nfs/dbraw/zinc/19/52/17/1337195217.db2.gz JOXFAIQDYDYLBN-HZPDHXFCSA-N 2 2 332.496 2.007 10 30 EEEELP C#CC[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001566739638 1342619376 /nfs/dbraw/zinc/61/93/76/1342619376.db2.gz ZMYFJQUZDYZQOX-ROUUACIJSA-N 2 2 330.476 2.274 10 30 EEEELP C#CC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001566739638 1342619377 /nfs/dbraw/zinc/61/93/77/1342619377.db2.gz ZMYFJQUZDYZQOX-ROUUACIJSA-N 2 2 330.476 2.274 10 30 EEEELP C=CCCCCC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001569363724 1342859539 /nfs/dbraw/zinc/85/95/39/1342859539.db2.gz ZIMAPNKRQJRXAN-SJORKVTESA-N 2 2 330.476 2.382 10 30 EEEELP C=CCCCCC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001569363724 1342859543 /nfs/dbraw/zinc/85/95/43/1342859543.db2.gz ZIMAPNKRQJRXAN-SJORKVTESA-N 2 2 330.476 2.382 10 30 EEEELP CC#CC[NH2+]CCCCCCN(C)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001656681583 1354264268 /nfs/dbraw/zinc/26/42/68/1354264268.db2.gz GNPNUWLNUMYKDQ-KRWDZBQOSA-N 2 2 330.476 2.077 10 30 EEEELP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NCC[NH+](C)CC#Cc1ccccc1 ZINC001663287951 1354944526 /nfs/dbraw/zinc/94/45/26/1354944526.db2.gz DWGSNQDAVMAHEY-FQEVSTJZSA-N 2 2 341.499 2.349 10 30 EEEELP CC(C)[N@H+]1CCCC[C@H]1C(=O)NCC[NH+](C)CC#Cc1ccccc1 ZINC001663287951 1354944528 /nfs/dbraw/zinc/94/45/28/1354944528.db2.gz DWGSNQDAVMAHEY-FQEVSTJZSA-N 2 2 341.499 2.349 10 30 EEEELP CC(C)[NH+]1CCCC[C@H]1C(=O)NCC[N@H+](C)CC#Cc1ccccc1 ZINC001663287951 1354944531 /nfs/dbraw/zinc/94/45/31/1354944531.db2.gz DWGSNQDAVMAHEY-FQEVSTJZSA-N 2 2 341.499 2.349 10 30 EEEELP CC(C)[NH+]1CCCC[C@H]1C(=O)NCC[N@@H+](C)CC#Cc1ccccc1 ZINC001663287951 1354944533 /nfs/dbraw/zinc/94/45/33/1354944533.db2.gz DWGSNQDAVMAHEY-FQEVSTJZSA-N 2 2 341.499 2.349 10 30 EEEELP Cc1c[nH+]c2cc(C(=O)N[C@H](C)C[NH2+]CC#Cc3ccccc3)ccn12 ZINC001669294158 1356141283 /nfs/dbraw/zinc/14/12/83/1356141283.db2.gz YWOVGAVQWVXJPK-MRXNPFEDSA-N 2 2 346.434 2.402 10 30 EEEELP C=CCC[N@H+]1CCC[C@@](C)(CNC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001671891332 1356431853 /nfs/dbraw/zinc/43/18/53/1356431853.db2.gz ANBXKGUJWWIFTJ-LPHOPBHVSA-N 2 2 330.476 2.240 10 30 EEEELP C=CCC[N@@H+]1CCC[C@@](C)(CNC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001671891332 1356431855 /nfs/dbraw/zinc/43/18/55/1356431855.db2.gz ANBXKGUJWWIFTJ-LPHOPBHVSA-N 2 2 330.476 2.240 10 30 EEEELP C=CCC[NH2+]C1CCC(N(C)C(=O)[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC001674796066 1356897655 /nfs/dbraw/zinc/89/76/55/1356897655.db2.gz CCBRZJUUUWRCRI-GTPINHCMSA-N 2 2 330.476 2.381 10 30 EEEELP C=CCC[C@@H](C)[N@H+]1C[C@H]2CN(C(=O)[C@H]3CCn4c[nH+]cc4C3)C[C@H]2C1 ZINC001699989118 1405639385 /nfs/dbraw/zinc/63/93/85/1405639385.db2.gz FCIHRLOUMZCOES-XDNAFOTISA-N 2 2 342.487 2.190 10 30 EEEELP C=CCC[C@@H](C)[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CCn4c[nH+]cc4C3)C[C@H]2C1 ZINC001699989118 1405639395 /nfs/dbraw/zinc/63/93/95/1405639395.db2.gz FCIHRLOUMZCOES-XDNAFOTISA-N 2 2 342.487 2.190 10 30 EEEELP C=CC[N@H+]1CCC[C@@H]2[C@@H](NC(=O)CCCn3cc[nH+]c3)C(C)(C)[C@@H]21 ZINC001565994431 1125491134 /nfs/dbraw/zinc/49/11/34/1125491134.db2.gz GKMLRSJEBPVEES-KBAYOESNSA-N 2 2 330.476 2.455 10 30 EEEELP C=CC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)CCCn3cc[nH+]c3)C(C)(C)[C@@H]21 ZINC001565994431 1125491137 /nfs/dbraw/zinc/49/11/37/1125491137.db2.gz GKMLRSJEBPVEES-KBAYOESNSA-N 2 2 330.476 2.455 10 30 EEEELP C=C(Cl)C[NH2+]C[C@@H](NC(=O)[C@H]1CCn2cc[nH+]c2C1)C(C)(C)C ZINC001449308877 1094262298 /nfs/dbraw/zinc/26/22/98/1094262298.db2.gz MPJNOOSQHGLKHT-UONOGXRCSA-N 2 2 338.883 2.319 10 30 EEEELP CN(CC[N@H+](C)Cc1ccccc1C#N)C(=O)CC[C@H]1CCC[NH+]1C ZINC001496717801 1101331350 /nfs/dbraw/zinc/33/13/50/1101331350.db2.gz CUXPBAWCWVDSRT-LJQANCHMSA-N 2 2 342.487 2.323 10 30 EEEELP CN(CC[N@@H+](C)Cc1ccccc1C#N)C(=O)CC[C@H]1CCC[NH+]1C ZINC001496717801 1101331365 /nfs/dbraw/zinc/33/13/65/1101331365.db2.gz CUXPBAWCWVDSRT-LJQANCHMSA-N 2 2 342.487 2.323 10 30 EEEELP CN(CC[NH+](C)Cc1ccccc1C#N)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001496717801 1101331384 /nfs/dbraw/zinc/33/13/84/1101331384.db2.gz CUXPBAWCWVDSRT-LJQANCHMSA-N 2 2 342.487 2.323 10 30 EEEELP CN(CC[NH+](C)Cc1ccccc1C#N)C(=O)CC[C@H]1CCC[N@H+]1C ZINC001496717801 1101331401 /nfs/dbraw/zinc/33/14/01/1101331401.db2.gz CUXPBAWCWVDSRT-LJQANCHMSA-N 2 2 342.487 2.323 10 30 EEEELP C#CCC[C@H](O)C[NH2+]Cc1ccc(OCCn2cc[nH+]c2)c(Cl)c1 ZINC001474253892 1110591893 /nfs/dbraw/zinc/59/18/93/1110591893.db2.gz RURQRMCFXBAWDA-INIZCTEOSA-N 2 2 347.846 2.479 10 30 EEEELP C=CC[NH2+]CCN(Cc1ccccc1)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001501196100 1113237250 /nfs/dbraw/zinc/23/72/50/1113237250.db2.gz QBZXXMSBTPRQSK-GOSISDBHSA-N 2 2 338.455 2.250 10 30 EEEELP C=CCCC[NH+](C)[C@H](C)CNC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC001505986231 1114321091 /nfs/dbraw/zinc/32/10/91/1114321091.db2.gz SCJIMLFPBRQCKJ-AEFFLSMTSA-N 2 2 337.508 2.033 10 30 EEEELP C=CCCC[NH+](C)[C@H](C)CNC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC001505986231 1114321094 /nfs/dbraw/zinc/32/10/94/1114321094.db2.gz SCJIMLFPBRQCKJ-AEFFLSMTSA-N 2 2 337.508 2.033 10 30 EEEELP C=CCCC[N@@H+](C)[C@H](C)CNC(=O)[C@@H]1COCC[NH+]1C1CCCC1 ZINC001505986231 1114321097 /nfs/dbraw/zinc/32/10/97/1114321097.db2.gz SCJIMLFPBRQCKJ-AEFFLSMTSA-N 2 2 337.508 2.033 10 30 EEEELP C=CCCC[N@H+](C)[C@H](C)CNC(=O)[C@@H]1COCC[NH+]1C1CCCC1 ZINC001505986231 1114321100 /nfs/dbraw/zinc/32/11/00/1114321100.db2.gz SCJIMLFPBRQCKJ-AEFFLSMTSA-N 2 2 337.508 2.033 10 30 EEEELP C[C@@H]([NH2+][C@@H]1CCCN(Cc2[nH+]ccn2C)C1=O)c1cccc(C#N)c1 ZINC000544016154 318178633 /nfs/dbraw/zinc/17/86/33/318178633.db2.gz WNWRKLOAUIWUGQ-RHSMWYFYSA-N 2 2 337.427 2.134 10 30 EEEELP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+](CCOc2ccccc2C#N)CC1 ZINC000109752662 463648208 /nfs/dbraw/zinc/64/82/08/463648208.db2.gz OCQVJFKHJYUPAZ-LJQANCHMSA-N 2 2 342.487 2.039 10 30 EEEELP C[N@H+]1CCCC[C@@H]1CN1CC[NH+](CCOc2ccccc2C#N)CC1 ZINC000109752662 463648214 /nfs/dbraw/zinc/64/82/14/463648214.db2.gz OCQVJFKHJYUPAZ-LJQANCHMSA-N 2 2 342.487 2.039 10 30 EEEELP C[NH+](C)[C@H](CNC(=O)[C@H]([NH3+])CCCCC#N)c1c(F)cccc1F ZINC000594437680 468587009 /nfs/dbraw/zinc/58/70/09/468587009.db2.gz KQMPRRCTIIYSAB-HUUCEWRRSA-N 2 2 338.402 2.095 10 30 EEEELP CC[C@H](Cn1cncn1)[NH2+]C1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593719917 469107669 /nfs/dbraw/zinc/10/76/69/469107669.db2.gz DKEDZQGJCFICCT-GOSISDBHSA-N 2 2 338.459 2.183 10 30 EEEELP C#CC[NH+]1CCN(C(=O)C[NH2+]C(C2CCCC2)C2CCCC2)CC1 ZINC000754141492 577801096 /nfs/dbraw/zinc/80/10/96/577801096.db2.gz FDFCNRHUAWJIGJ-UHFFFAOYSA-N 2 2 331.504 2.102 10 30 EEEELP CC(C)[N@H+](C)CC(=O)N[C@H]1C[NH+](Cc2ccccc2C#N)CC1(C)C ZINC001485587016 1191850402 /nfs/dbraw/zinc/85/04/02/1191850402.db2.gz RVOWWBHHKNNOBT-SFHVURJKSA-N 2 2 342.487 2.225 10 30 EEEELP CC(C)[N@@H+](C)CC(=O)N[C@H]1C[NH+](Cc2ccccc2C#N)CC1(C)C ZINC001485587016 1191850404 /nfs/dbraw/zinc/85/04/04/1191850404.db2.gz RVOWWBHHKNNOBT-SFHVURJKSA-N 2 2 342.487 2.225 10 30 EEEELP CC(C)[NH+](C)CC(=O)N[C@H]1C[N@H+](Cc2ccccc2C#N)CC1(C)C ZINC001485587016 1191850405 /nfs/dbraw/zinc/85/04/05/1191850405.db2.gz RVOWWBHHKNNOBT-SFHVURJKSA-N 2 2 342.487 2.225 10 30 EEEELP CC(C)[NH+](C)CC(=O)N[C@H]1C[N@@H+](Cc2ccccc2C#N)CC1(C)C ZINC001485587016 1191850407 /nfs/dbraw/zinc/85/04/07/1191850407.db2.gz RVOWWBHHKNNOBT-SFHVURJKSA-N 2 2 342.487 2.225 10 30 EEEELP C=CCC[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001266459482 1176572832 /nfs/dbraw/zinc/57/28/32/1176572832.db2.gz QVGMHDYTDGWWPU-DLBZAZTESA-N 2 2 330.476 2.192 10 30 EEEELP C=CCC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001266459482 1176572840 /nfs/dbraw/zinc/57/28/40/1176572840.db2.gz QVGMHDYTDGWWPU-DLBZAZTESA-N 2 2 330.476 2.192 10 30 EEEELP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+]1CCCC(C)(C)C ZINC001691081989 1177543825 /nfs/dbraw/zinc/54/38/25/1177543825.db2.gz CUIJANZMMMFNSG-ROUUACIJSA-N 2 2 333.520 2.491 10 30 EEEELP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+]1CCCC(C)(C)C ZINC001691081989 1177543834 /nfs/dbraw/zinc/54/38/34/1177543834.db2.gz CUIJANZMMMFNSG-ROUUACIJSA-N 2 2 333.520 2.491 10 30 EEEELP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[NH+]1CCCC(C)(C)C ZINC001691081989 1177543842 /nfs/dbraw/zinc/54/38/42/1177543842.db2.gz CUIJANZMMMFNSG-ROUUACIJSA-N 2 2 333.520 2.491 10 30 EEEELP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[NH+]1CCCC(C)(C)C ZINC001691081989 1177543846 /nfs/dbraw/zinc/54/38/46/1177543846.db2.gz CUIJANZMMMFNSG-ROUUACIJSA-N 2 2 333.520 2.491 10 30 EEEELP C=CCC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001691361026 1177964999 /nfs/dbraw/zinc/96/49/99/1177964999.db2.gz VQZGXVICDSMRHO-RYRKJORJSA-N 2 2 330.476 2.238 10 30 EEEELP C[C@H]1CC[N@H+](CC(=O)NCC[NH+](C)CC#Cc2ccccc2Cl)C1 ZINC001267218033 1178522449 /nfs/dbraw/zinc/52/24/49/1178522449.db2.gz WQIQEPCKQHNINC-INIZCTEOSA-N 2 2 347.890 2.081 10 30 EEEELP C[C@H]1CC[NH+](CC(=O)NCC[N@H+](C)CC#Cc2ccccc2Cl)C1 ZINC001267218033 1178522463 /nfs/dbraw/zinc/52/24/63/1178522463.db2.gz WQIQEPCKQHNINC-INIZCTEOSA-N 2 2 347.890 2.081 10 30 EEEELP C[C@H]1CC[NH+](CC(=O)NCC[N@@H+](C)CC#Cc2ccccc2Cl)C1 ZINC001267218033 1178522468 /nfs/dbraw/zinc/52/24/68/1178522468.db2.gz WQIQEPCKQHNINC-INIZCTEOSA-N 2 2 347.890 2.081 10 30 EEEELP C[C@H](CC(=O)N(C)CC[NH2+]CC#Cc1ccc(F)cc1)n1cc[nH+]c1 ZINC001267434255 1179003429 /nfs/dbraw/zinc/00/34/29/1179003429.db2.gz VKHIPSLCEIEQMG-MRXNPFEDSA-N 2 2 342.418 2.073 10 30 EEEELP C=C(C)C[N@H+]1CC[C@H](N(CCC)C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001267545127 1179325132 /nfs/dbraw/zinc/32/51/32/1179325132.db2.gz ZCXUHGDGIFMJCF-SJORKVTESA-N 2 2 330.476 2.335 10 30 EEEELP C=C(C)C[N@@H+]1CC[C@H](N(CCC)C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001267545127 1179325137 /nfs/dbraw/zinc/32/51/37/1179325137.db2.gz ZCXUHGDGIFMJCF-SJORKVTESA-N 2 2 330.476 2.335 10 30 EEEELP COCC#CC[N@@H+]1CC[C@H](CCNC(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001267561042 1179362038 /nfs/dbraw/zinc/36/20/38/1179362038.db2.gz OQBOLINEDQFWBH-SFHVURJKSA-N 2 2 343.471 2.098 10 30 EEEELP COCC#CC[N@H+]1CC[C@H](CCNC(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001267561042 1179362044 /nfs/dbraw/zinc/36/20/44/1179362044.db2.gz OQBOLINEDQFWBH-SFHVURJKSA-N 2 2 343.471 2.098 10 30 EEEELP CC#CC[NH+]1CCC[C@H](NC(=O)[C@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001481538719 1181680111 /nfs/dbraw/zinc/68/01/11/1181680111.db2.gz HOXOYTXEBRLEAM-OALUTQOASA-N 2 2 327.472 2.283 10 30 EEEELP CC#CC[NH+]1CCC[C@H](NC(=O)[C@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001481538719 1181680116 /nfs/dbraw/zinc/68/01/16/1181680116.db2.gz HOXOYTXEBRLEAM-OALUTQOASA-N 2 2 327.472 2.283 10 30 EEEELP CC#CC[N@H+]1CCC[C@H](NC(=O)[C@H](c2ccccc2)[NH+](C)CC)C1 ZINC001481538719 1181680119 /nfs/dbraw/zinc/68/01/19/1181680119.db2.gz HOXOYTXEBRLEAM-OALUTQOASA-N 2 2 327.472 2.283 10 30 EEEELP CC#CC[N@@H+]1CCC[C@H](NC(=O)[C@H](c2ccccc2)[NH+](C)CC)C1 ZINC001481538719 1181680124 /nfs/dbraw/zinc/68/01/24/1181680124.db2.gz HOXOYTXEBRLEAM-OALUTQOASA-N 2 2 327.472 2.283 10 30 EEEELP C=CCCC[N@H+]1CC[C@@H](N(C)C(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001481725793 1182375385 /nfs/dbraw/zinc/37/53/85/1182375385.db2.gz ATUVBHIFSCHUBS-QGZVFWFLSA-N 2 2 330.476 2.261 10 30 EEEELP C=CCCC[N@@H+]1CC[C@@H](N(C)C(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001481725793 1182375389 /nfs/dbraw/zinc/37/53/89/1182375389.db2.gz ATUVBHIFSCHUBS-QGZVFWFLSA-N 2 2 330.476 2.261 10 30 EEEELP CC[C@@H](CNC(=O)Cc1c[nH]c[nH+]1)[NH2+]CC#Cc1cccc(Cl)c1 ZINC001481858767 1182811175 /nfs/dbraw/zinc/81/11/75/1182811175.db2.gz QOUPLFGYSJFYCS-INIZCTEOSA-N 2 2 344.846 2.142 10 30 EEEELP C=CCC[C@@H](C)[NH2+]C1(CNC(=O)c2cc([C@@H]3CCC[N@@H+]3C)n[nH]2)CC1 ZINC001269416004 1184251749 /nfs/dbraw/zinc/25/17/49/1184251749.db2.gz NWVNOZRRQGRTCP-PBHICJAKSA-N 2 2 345.491 2.383 10 30 EEEELP C=CCC[C@@H](C)[NH2+]C1(CNC(=O)c2cc([C@@H]3CCC[N@H+]3C)n[nH]2)CC1 ZINC001269416004 1184251756 /nfs/dbraw/zinc/25/17/56/1184251756.db2.gz NWVNOZRRQGRTCP-PBHICJAKSA-N 2 2 345.491 2.383 10 30 EEEELP C=CCCC[NH2+]C1(CNC(=O)[C@@H]2CCc3[nH+]ccn3C2)CCCC1 ZINC001482223504 1184306451 /nfs/dbraw/zinc/30/64/51/1184306451.db2.gz VUMPWLLKZWKMTA-MRXNPFEDSA-N 2 2 330.476 2.430 10 30 EEEELP C=CCCC[NH2+]C[C@H]1CCCN1C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001270210947 1184926517 /nfs/dbraw/zinc/92/65/17/1184926517.db2.gz GHFZHXKPLUXPNT-QGZVFWFLSA-N 2 2 330.476 2.309 10 30 EEEELP C#CCN(C(=O)CCc1[nH+]ccn1C)C1CC[NH+](CC[C@@H](C)F)CC1 ZINC001270331659 1185024411 /nfs/dbraw/zinc/02/44/11/1185024411.db2.gz LASXHXRGFWPSQI-MRXNPFEDSA-N 2 2 348.466 2.027 10 30 EEEELP C=C(C)C[N@@H+]1CCC(F)(F)[C@H](CNC(=O)CCc2c[nH+]cn2C)C1 ZINC001271100069 1185884128 /nfs/dbraw/zinc/88/41/28/1185884128.db2.gz HIQAGYNFIBNVRE-CQSZACIVSA-N 2 2 340.418 2.002 10 30 EEEELP C=C(C)C[N@H+]1CCC(F)(F)[C@H](CNC(=O)CCc2c[nH+]cn2C)C1 ZINC001271100069 1185884131 /nfs/dbraw/zinc/88/41/31/1185884131.db2.gz HIQAGYNFIBNVRE-CQSZACIVSA-N 2 2 340.418 2.002 10 30 EEEELP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@H](C)[N@H+](C)Cc1cccc(C#N)c1 ZINC001409660202 1190157696 /nfs/dbraw/zinc/15/76/96/1190157696.db2.gz PGYIHDXBIGDUHT-GJZGRUSLSA-N 2 2 339.443 2.097 10 30 EEEELP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@H](C)[N@@H+](C)Cc1cccc(C#N)c1 ZINC001409660202 1190157701 /nfs/dbraw/zinc/15/77/01/1190157701.db2.gz PGYIHDXBIGDUHT-GJZGRUSLSA-N 2 2 339.443 2.097 10 30 EEEELP CC#CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)c3cc4c[nH+]ccc4[nH]3)C[C@H]21 ZINC001486161842 1193707131 /nfs/dbraw/zinc/70/71/31/1193707131.db2.gz QBSJNLZDOLTDJV-QGPMSJSTSA-N 2 2 336.439 2.417 10 30 EEEELP COCC#CC[N@H+](CCCNC(=O)c1c(C)cc(C)[nH+]c1C)C(C)C ZINC001691742062 1214390077 /nfs/dbraw/zinc/39/00/77/1214390077.db2.gz HYIBCVQSLKAUEB-UHFFFAOYSA-N 2 2 345.487 2.487 10 30 EEEELP COCC#CC[N@@H+](CCCNC(=O)c1c(C)cc(C)[nH+]c1C)C(C)C ZINC001691742062 1214390085 /nfs/dbraw/zinc/39/00/85/1214390085.db2.gz HYIBCVQSLKAUEB-UHFFFAOYSA-N 2 2 345.487 2.487 10 30 EEEELP C#CC[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)Cc1c[nH+]ccc1OC ZINC001264018786 1322586135 /nfs/dbraw/zinc/58/61/35/1322586135.db2.gz IVKHYCMLFIUDTP-SJLPKXTDSA-N 2 2 343.471 2.263 10 30 EEEELP C=CCCC[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C[C@@H]2C1 ZINC001264099890 1322618840 /nfs/dbraw/zinc/61/88/40/1322618840.db2.gz SCUZCIPBYMJKHC-CVEARBPZSA-N 2 2 330.476 2.434 10 30 EEEELP C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C[C@@H]2C1 ZINC001264099890 1322618845 /nfs/dbraw/zinc/61/88/45/1322618845.db2.gz SCUZCIPBYMJKHC-CVEARBPZSA-N 2 2 330.476 2.434 10 30 EEEELP C=CCCC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001265332409 1323081369 /nfs/dbraw/zinc/08/13/69/1323081369.db2.gz TYRRAGPNYDKTGX-JFIYKMOQSA-N 2 2 342.487 2.461 10 30 EEEELP C#CC[NH2+]C1(CNC(=O)[C@H]2C[C@@H]2C)CC[NH+](Cc2ccccc2)CC1 ZINC001279170403 1323844697 /nfs/dbraw/zinc/84/46/97/1323844697.db2.gz CTXQSMSLGPAKEC-HKUYNNGSSA-N 2 2 339.483 2.016 10 30 EEEELP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[N@@H+](CC)C/C(Cl)=C/Cl ZINC001316892363 1331958765 /nfs/dbraw/zinc/95/87/65/1331958765.db2.gz HOKRKIANWSTJII-ZSMUJPCHSA-N 2 2 346.302 2.231 10 30 EEEELP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[N@H+](CC)C/C(Cl)=C/Cl ZINC001316892363 1331958769 /nfs/dbraw/zinc/95/87/69/1331958769.db2.gz HOKRKIANWSTJII-ZSMUJPCHSA-N 2 2 346.302 2.231 10 30 EEEELP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH+](CC)C/C(Cl)=C/Cl ZINC001316892363 1331958771 /nfs/dbraw/zinc/95/87/71/1331958771.db2.gz HOKRKIANWSTJII-ZSMUJPCHSA-N 2 2 346.302 2.231 10 30 EEEELP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH+](CC)C/C(Cl)=C/Cl ZINC001316892363 1331958772 /nfs/dbraw/zinc/95/87/72/1331958772.db2.gz HOKRKIANWSTJII-ZSMUJPCHSA-N 2 2 346.302 2.231 10 30 EEEELP C[C@@H](CC(=O)N[C@H]1C[C@@H]([NH2+]CC#Cc2ccccc2)C1)n1cc[nH+]c1 ZINC001317122615 1332087522 /nfs/dbraw/zinc/08/75/22/1332087522.db2.gz RWUDAGZKTARXHP-YTQUADARSA-N 2 2 336.439 2.123 10 30 EEEELP C=CCC[NH+]1CCC(CCNC(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC001319027481 1332638764 /nfs/dbraw/zinc/63/87/64/1332638764.db2.gz LZXWJTWQYCRUTE-QGZVFWFLSA-N 2 2 330.476 2.240 10 30 EEEELP C#CC[N@H+]1CC[C@]2(CCN(C(=O)[C@@H](CC(C)C)n3cc[nH+]c3)C2)C1 ZINC001323856906 1333558437 /nfs/dbraw/zinc/55/84/37/1333558437.db2.gz DRUYIPNTKUYMQI-MJGOQNOKSA-N 2 2 328.460 2.028 10 30 EEEELP C#CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H](CC(C)C)n3cc[nH+]c3)C2)C1 ZINC001323856906 1333558441 /nfs/dbraw/zinc/55/84/41/1333558441.db2.gz DRUYIPNTKUYMQI-MJGOQNOKSA-N 2 2 328.460 2.028 10 30 EEEELP C=C(C)CC[NH2+][C@@H](C)[C@H]1CCN(C(=O)Cc2c[nH+]ccc2OC)C1 ZINC001325419014 1333883069 /nfs/dbraw/zinc/88/30/69/1333883069.db2.gz SPAXCXDANTWSNR-HOTGVXAUSA-N 2 2 331.460 2.426 10 30 EEEELP C=CC[NH2+]Cc1ccc(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)c(F)c1 ZINC001333480598 1336057039 /nfs/dbraw/zinc/05/70/39/1336057039.db2.gz UXOCJFWDQOWGNT-HZPDHXFCSA-N 2 2 342.418 2.255 10 30 EEEELP CC#CC[N@@H+]1C[C@@H](NC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C(C)(C)C1 ZINC001570897347 1343134185 /nfs/dbraw/zinc/13/41/85/1343134185.db2.gz PQDSEJIBDWWALE-IAGOWNOFSA-N 2 2 330.476 2.320 10 30 EEEELP CC#CC[N@H+]1C[C@@H](NC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C(C)(C)C1 ZINC001570897347 1343134190 /nfs/dbraw/zinc/13/41/90/1343134190.db2.gz PQDSEJIBDWWALE-IAGOWNOFSA-N 2 2 330.476 2.320 10 30 EEEELP C=CCOCC[N@H+]1CCC[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)[C@H]1C ZINC001676872172 1357226914 /nfs/dbraw/zinc/22/69/14/1357226914.db2.gz GMYJJXYRNCIMOL-GDBMZVCRSA-N 2 2 342.443 2.348 10 30 EEEELP C=CCOCC[N@@H+]1CCC[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)[C@H]1C ZINC001676872172 1357226917 /nfs/dbraw/zinc/22/69/17/1357226917.db2.gz GMYJJXYRNCIMOL-GDBMZVCRSA-N 2 2 342.443 2.348 10 30 EEEELP C=CCCC[NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001649463299 1353519298 /nfs/dbraw/zinc/51/92/98/1353519298.db2.gz OAVKGGNGRZBAQC-IRXDYDNUSA-N 2 2 330.476 2.382 10 30 EEEELP C[C@H](CC(=O)NCCC[N@H+](C)Cc1ccc(C#N)s1)n1cc[nH+]c1 ZINC001660316865 1354437826 /nfs/dbraw/zinc/43/78/26/1354437826.db2.gz GAKKQIMPJJFCSF-CQSZACIVSA-N 2 2 345.472 2.406 10 30 EEEELP C[C@H](CC(=O)NCCC[N@@H+](C)Cc1ccc(C#N)s1)n1cc[nH+]c1 ZINC001660316865 1354437828 /nfs/dbraw/zinc/43/78/28/1354437828.db2.gz GAKKQIMPJJFCSF-CQSZACIVSA-N 2 2 345.472 2.406 10 30 EEEELP C#CCC[NH2+][C@@H](C)C1CCN(C(=O)Cc2cn3c([nH+]2)CCCC3)CC1 ZINC001664436166 1355163179 /nfs/dbraw/zinc/16/31/79/1355163179.db2.gz AUHZSWLJBHHBLV-INIZCTEOSA-N 2 2 342.487 2.002 10 30 EEEELP C#CCN(C(=O)Cc1c[nH+]c[nH]1)C1CC[NH+](CCC(C)(C)C)CC1 ZINC001671497999 1356350654 /nfs/dbraw/zinc/35/06/54/1356350654.db2.gz ZEEGXDITZJVFOH-UHFFFAOYSA-N 2 2 330.476 2.315 10 30 EEEELP CC#CC[NH2+]CC[C@@H]1CCN(C(=O)Cc2cn3cccc(C)c3[nH+]2)C1 ZINC001672880404 1356605896 /nfs/dbraw/zinc/60/58/96/1356605896.db2.gz UOZFXCOAEOLYGC-QGZVFWFLSA-N 2 2 338.455 2.037 10 30 EEEELP C=CCCC[NH2+][C@H](C)[C@@H]1CN(C(=O)c2cccc3[nH+]ccn32)CCO1 ZINC001675604158 1357013210 /nfs/dbraw/zinc/01/32/10/1357013210.db2.gz BOSRJLZQOBEVGR-WBVHZDCISA-N 2 2 342.443 2.120 10 30 EEEELP C=CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)C(C)(C)C1 ZINC000940851622 779434828 /nfs/dbraw/zinc/43/48/28/779434828.db2.gz ZPSKFLHCQDVTPW-NVXWUHKLSA-N 2 2 330.476 2.238 10 30 EEEELP C=CCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)C(C)(C)C1 ZINC000940851622 779434831 /nfs/dbraw/zinc/43/48/31/779434831.db2.gz ZPSKFLHCQDVTPW-NVXWUHKLSA-N 2 2 330.476 2.238 10 30 EEEELP C=C(Cl)C[NH2+]C[C@@](C)(NC(=O)[C@H]1CCn2c[nH+]cc2C1)C1CC1 ZINC001438419989 1090914572 /nfs/dbraw/zinc/91/45/72/1090914572.db2.gz FOHIKALIAOSEMF-SUMWQHHRSA-N 2 2 336.867 2.073 10 30 EEEELP CC[N@H+](CCCNC(=O)Cc1[nH]c[nH+]c1C)Cc1cccc(C#N)c1 ZINC001479859997 1099168258 /nfs/dbraw/zinc/16/82/58/1099168258.db2.gz YRMGJJSDKNCPDK-UHFFFAOYSA-N 2 2 339.443 2.161 10 30 EEEELP CC[N@@H+](CCCNC(=O)Cc1[nH]c[nH+]c1C)Cc1cccc(C#N)c1 ZINC001479859997 1099168269 /nfs/dbraw/zinc/16/82/69/1099168269.db2.gz YRMGJJSDKNCPDK-UHFFFAOYSA-N 2 2 339.443 2.161 10 30 EEEELP CC#CC[NH2+]C[C@]1(NC(=O)CCCn2cc[nH+]c2)CCCC[C@H]1C ZINC001495331843 1101039658 /nfs/dbraw/zinc/03/96/58/1101039658.db2.gz GZDZTXGCXAPLKR-IEBWSBKVSA-N 2 2 330.476 2.341 10 30 EEEELP C[C@H]1CC[C@H](C)[NH+]1CC(=O)N(C)CC[N@H+](C)Cc1ccccc1C#N ZINC001496842184 1101581907 /nfs/dbraw/zinc/58/19/07/1101581907.db2.gz UZZBVTAHUDXUAP-IRXDYDNUSA-N 2 2 342.487 2.321 10 30 EEEELP C[C@H]1CC[C@H](C)[NH+]1CC(=O)N(C)CC[N@@H+](C)Cc1ccccc1C#N ZINC001496842184 1101581917 /nfs/dbraw/zinc/58/19/17/1101581917.db2.gz UZZBVTAHUDXUAP-IRXDYDNUSA-N 2 2 342.487 2.321 10 30 EEEELP C=CCCC[NH+]1CC2(C1)CCN(C(=O)CCc1c[nH+]cn1C)CC2 ZINC001495980588 1101888250 /nfs/dbraw/zinc/88/82/50/1101888250.db2.gz JRQRIKFUIJFOFN-UHFFFAOYSA-N 2 2 330.476 2.243 10 30 EEEELP C=CCCC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C(C)(C)C1 ZINC001506746374 1114859775 /nfs/dbraw/zinc/85/97/75/1114859775.db2.gz KNULELVBKXIGOG-BFYDXBDKSA-N 2 2 330.476 2.316 10 30 EEEELP C=CCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C(C)(C)C1 ZINC001506746374 1114859780 /nfs/dbraw/zinc/85/97/80/1114859780.db2.gz KNULELVBKXIGOG-BFYDXBDKSA-N 2 2 330.476 2.316 10 30 EEEELP N#Cc1csc(C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)n1 ZINC000356430878 465376761 /nfs/dbraw/zinc/37/67/61/465376761.db2.gz DBFMPQAFSNBQHQ-UHFFFAOYSA-N 2 2 334.489 2.339 10 30 EEEELP CN(C(=O)C[NH+]1CCC(c2c[nH]c[nH+]2)CC1)C1(C#N)CCCCC1 ZINC000374211336 467032174 /nfs/dbraw/zinc/03/21/74/467032174.db2.gz ZTVNESJAESSUON-UHFFFAOYSA-N 2 2 329.448 2.274 10 30 EEEELP CO[C@H](C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)[C@@H]1CCOC1 ZINC000594953565 468729904 /nfs/dbraw/zinc/72/99/04/468729904.db2.gz UWUCRSYMALJZPW-UYAOXDASSA-N 2 2 343.471 2.164 10 30 EEEELP C=CC[C@@H]1CC[N@H+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000625701692 470170518 /nfs/dbraw/zinc/17/05/18/470170518.db2.gz BPVRDOLVBDIFNS-GOSISDBHSA-N 2 2 327.472 2.229 10 30 EEEELP C=CC[C@@H]1CC[N@@H+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000625701692 470170519 /nfs/dbraw/zinc/17/05/19/470170519.db2.gz BPVRDOLVBDIFNS-GOSISDBHSA-N 2 2 327.472 2.229 10 30 EEEELP C=CC[NH+](CC=C)[C@H](CNC(=O)[C@@H]1CCc2[nH+]c[nH]c2C1)C(C)C ZINC000668682714 472224380 /nfs/dbraw/zinc/22/43/80/472224380.db2.gz MUMVRHDCSGRNGV-CRAIPNDOSA-N 2 2 330.476 2.329 10 30 EEEELP C=CC[NH+](CC=C)[C@H](CNC(=O)[C@@H]1CCc2[nH]c[nH+]c2C1)C(C)C ZINC000668682714 472224384 /nfs/dbraw/zinc/22/43/84/472224384.db2.gz MUMVRHDCSGRNGV-CRAIPNDOSA-N 2 2 330.476 2.329 10 30 EEEELP C[NH+]=C(NCc1c[nH+]c(N(C)C)n1C)N[C@@H](C)c1ccc(C)c(F)c1 ZINC000262018449 682854112 /nfs/dbraw/zinc/85/41/12/682854112.db2.gz YFZKDTJSKLNPMJ-ZDUSSCGKSA-N 2 2 346.454 2.360 10 30 EEEELP C=CCCC[N@H+]1C[C@H](NC(=O)c2cc(C[NH+](C)C)on2)C(C)(C)C1 ZINC001485570019 1191839689 /nfs/dbraw/zinc/83/96/89/1191839689.db2.gz QURQJAMTWQKUEE-INIZCTEOSA-N 2 2 334.464 2.143 10 30 EEEELP C=CCCC[N@@H+]1C[C@H](NC(=O)c2cc(C[NH+](C)C)on2)C(C)(C)C1 ZINC001485570019 1191839691 /nfs/dbraw/zinc/83/96/91/1191839691.db2.gz QURQJAMTWQKUEE-INIZCTEOSA-N 2 2 334.464 2.143 10 30 EEEELP C[C@@H](CCC[NH2+]Cc1ccc(F)c(C#N)c1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001485740245 1191917418 /nfs/dbraw/zinc/91/74/18/1191917418.db2.gz JUIAAPORAUCLIU-ZDUSSCGKSA-N 2 2 343.406 2.038 10 30 EEEELP C#CC[NH+]1CCC(C(=O)NCC[N@@H+](CC)CC=C(Cl)Cl)CC1 ZINC001691056547 1177472578 /nfs/dbraw/zinc/47/25/78/1177472578.db2.gz TYZQGLSTNNEEED-UHFFFAOYSA-N 2 2 346.302 2.089 10 30 EEEELP C#CC[NH+]1CCC(C(=O)NCC[N@H+](CC)CC=C(Cl)Cl)CC1 ZINC001691056547 1177472581 /nfs/dbraw/zinc/47/25/81/1177472581.db2.gz TYZQGLSTNNEEED-UHFFFAOYSA-N 2 2 346.302 2.089 10 30 EEEELP C=CCCC[NH+]1CCC[C@@H]1CNC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1 ZINC001691078881 1177538099 /nfs/dbraw/zinc/53/80/99/1177538099.db2.gz FFDHYCLERRUXFB-CRAIPNDOSA-N 2 2 345.491 2.337 10 30 EEEELP C=CCCC[NH+]1CCC[C@@H]1CNC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1 ZINC001691078881 1177538108 /nfs/dbraw/zinc/53/81/08/1177538108.db2.gz FFDHYCLERRUXFB-CRAIPNDOSA-N 2 2 345.491 2.337 10 30 EEEELP C=CCCC[N@H+]1CCC[C@@H]1CNC(=O)c1cc([C@H]2CCC[NH+]2C)n[nH]1 ZINC001691078881 1177538117 /nfs/dbraw/zinc/53/81/17/1177538117.db2.gz FFDHYCLERRUXFB-CRAIPNDOSA-N 2 2 345.491 2.337 10 30 EEEELP C=CCCC[N@@H+]1CCC[C@@H]1CNC(=O)c1cc([C@H]2CCC[NH+]2C)n[nH]1 ZINC001691078881 1177538126 /nfs/dbraw/zinc/53/81/26/1177538126.db2.gz FFDHYCLERRUXFB-CRAIPNDOSA-N 2 2 345.491 2.337 10 30 EEEELP CN(CC[NH2+]CC#Cc1ccccc1Cl)C(=O)CCn1cc[nH+]c1 ZINC001267411402 1178973336 /nfs/dbraw/zinc/97/33/36/1178973336.db2.gz YQLWYOSAGOSONQ-UHFFFAOYSA-N 2 2 344.846 2.026 10 30 EEEELP C=C(C)CC[NH2+]C[C@@H](NC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1)C1CC1 ZINC001269071252 1183939454 /nfs/dbraw/zinc/93/94/54/1183939454.db2.gz FPNIINCVTSETFJ-MSOLQXFVSA-N 2 2 345.491 2.241 10 30 EEEELP C=C(C)CC[NH2+]C[C@@H](NC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1)C1CC1 ZINC001269071252 1183939459 /nfs/dbraw/zinc/93/94/59/1183939459.db2.gz FPNIINCVTSETFJ-MSOLQXFVSA-N 2 2 345.491 2.241 10 30 EEEELP C=CCC[NH2+]C[C@@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C1CCCC1 ZINC001270431738 1185094702 /nfs/dbraw/zinc/09/47/02/1185094702.db2.gz ORPJROGZAVREEB-BRWVUGGUSA-N 2 2 330.476 2.364 10 30 EEEELP C[C@@H](C[NH2+]CC#Cc1cccc(Cl)c1)N(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001271155380 1185984430 /nfs/dbraw/zinc/98/44/30/1185984430.db2.gz PAOMSZZBKDVGMM-AWEZNQCLSA-N 2 2 344.846 2.094 10 30 EEEELP C#CCC[NH2+]C[C@H](NC(=O)[C@@H]1CCn2cc[nH+]c2C1)C1CCCCC1 ZINC001271341866 1186150023 /nfs/dbraw/zinc/15/00/23/1186150023.db2.gz SPVVFAUOLQSBRK-MSOLQXFVSA-N 2 2 342.487 2.124 10 30 EEEELP C#CCC[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001482495058 1186396874 /nfs/dbraw/zinc/39/68/74/1186396874.db2.gz ZLYMCZWYJSACTO-SJLPKXTDSA-N 2 2 342.487 2.002 10 30 EEEELP C=C(C)C[NH2+][C@@H]1CC[C@H](CNC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001691589510 1188292199 /nfs/dbraw/zinc/29/21/99/1188292199.db2.gz SNWSJIYPUIWCBU-JKSUJKDBSA-N 2 2 330.476 2.213 10 30 EEEELP CC#CC[NH2+][C@@H]1CCN(C(=O)Cc2cn3c([nH+]2)CCCC3)C[C@H]1CC ZINC001483615423 1190591921 /nfs/dbraw/zinc/59/19/21/1190591921.db2.gz MRUNHTREOFHGOY-SJLPKXTDSA-N 2 2 342.487 2.002 10 30 EEEELP C#CCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001483806178 1191051806 /nfs/dbraw/zinc/05/18/06/1191051806.db2.gz PWMIOUVYTUMJTR-OOKSDGMUSA-N 2 2 328.460 2.359 10 30 EEEELP CN(C(=O)c1sccc1CC#N)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000865727875 1198349584 /nfs/dbraw/zinc/34/95/84/1198349584.db2.gz JUMYFKUBFAZUBW-INIZCTEOSA-N 2 2 346.500 2.055 10 30 EEEELP CN(C(=O)c1sccc1CC#N)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000865727875 1198349588 /nfs/dbraw/zinc/34/95/88/1198349588.db2.gz JUMYFKUBFAZUBW-INIZCTEOSA-N 2 2 346.500 2.055 10 30 EEEELP CC[C@@H]([NH2+]CCCC[NH+]1CCN(C)CC1)c1cccc(C#N)c1O ZINC000924663465 1206013615 /nfs/dbraw/zinc/01/36/15/1206013615.db2.gz VDXYJLSDESYRLL-GOSISDBHSA-N 2 2 330.476 2.332 10 30 EEEELP C=CC[NH2+]C[C@@H]1CN(C(=O)CCn2cc[nH+]c2)CC[C@H]1C(F)(F)F ZINC001264595106 1322746312 /nfs/dbraw/zinc/74/63/12/1322746312.db2.gz WKPAJVPGADUQFC-ZIAGYGMSSA-N 2 2 344.381 2.076 10 30 EEEELP C=C(Cl)C[N@H+](CC)CCCNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001266082060 1323639171 /nfs/dbraw/zinc/63/91/71/1323639171.db2.gz BETCYNRKZMYJFS-HNNXBMFYSA-N 2 2 338.883 2.335 10 30 EEEELP C=C(Cl)C[N@@H+](CC)CCCNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001266082060 1323639176 /nfs/dbraw/zinc/63/91/76/1323639176.db2.gz BETCYNRKZMYJFS-HNNXBMFYSA-N 2 2 338.883 2.335 10 30 EEEELP C=CCC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)Cc1c[nH+]ccc1OC ZINC001316702014 1331850347 /nfs/dbraw/zinc/85/03/47/1331850347.db2.gz MYXWJKIWBSUEDK-WBVHZDCISA-N 2 2 331.460 2.426 10 30 EEEELP CC[N@@H+](CC#Cc1ccccc1)CCNC(=O)CCCn1cc[nH+]c1 ZINC001317492228 1332264641 /nfs/dbraw/zinc/26/46/41/1332264641.db2.gz JFZUFVYCUVAFLU-UHFFFAOYSA-N 2 2 338.455 2.153 10 30 EEEELP CC[N@H+](CC#Cc1ccccc1)CCNC(=O)CCCn1cc[nH+]c1 ZINC001317492228 1332264643 /nfs/dbraw/zinc/26/46/43/1332264643.db2.gz JFZUFVYCUVAFLU-UHFFFAOYSA-N 2 2 338.455 2.153 10 30 EEEELP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](CC)[NH2+]Cc1c(F)cccc1F ZINC001318539021 1332557067 /nfs/dbraw/zinc/55/70/67/1332557067.db2.gz YAIDMDQSDOXNFU-KSSFIOAISA-N 2 2 349.425 2.047 10 30 EEEELP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](CC)[NH2+]Cc1c(F)cccc1F ZINC001318539021 1332557070 /nfs/dbraw/zinc/55/70/70/1332557070.db2.gz YAIDMDQSDOXNFU-KSSFIOAISA-N 2 2 349.425 2.047 10 30 EEEELP C=C(C)C[NH2+]CC[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001318835941 1332607908 /nfs/dbraw/zinc/60/79/08/1332607908.db2.gz JUPMIDMYSXJIJJ-BRWVUGGUSA-N 2 2 330.476 2.318 10 30 EEEELP C=CCCC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC001570179039 1343027492 /nfs/dbraw/zinc/02/74/92/1343027492.db2.gz FLWIZCVTGIRSBV-DLBZAZTESA-N 2 2 330.476 2.382 10 30 EEEELP C=CCCC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC001570179039 1343027499 /nfs/dbraw/zinc/02/74/99/1343027499.db2.gz FLWIZCVTGIRSBV-DLBZAZTESA-N 2 2 330.476 2.382 10 30 EEEELP C=CCCC[NH2+]C1(CNC(=O)[C@@H]2CCc3c[nH+]cn3C2)CCCC1 ZINC001666771993 1355588242 /nfs/dbraw/zinc/58/82/42/1355588242.db2.gz JNXBHXKVSLVDSW-MRXNPFEDSA-N 2 2 330.476 2.430 10 30 EEEELP C#CCC[N@@H+](C)CCC1CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC001667413907 1355737480 /nfs/dbraw/zinc/73/74/80/1355737480.db2.gz UDNGYHGUNIVMSV-GOSISDBHSA-N 2 2 342.487 2.029 10 30 EEEELP C#CCC[N@H+](C)CCC1CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC001667413907 1355737485 /nfs/dbraw/zinc/73/74/85/1355737485.db2.gz UDNGYHGUNIVMSV-GOSISDBHSA-N 2 2 342.487 2.029 10 30 EEEELP C=C(C)C[NH2+]C[C@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C1CCCC1 ZINC001671554753 1356361846 /nfs/dbraw/zinc/36/18/46/1356361846.db2.gz SEWKGGVGULBBAY-ZACQAIPSSA-N 2 2 330.476 2.364 10 30 EEEELP C=C(C)C[NH2+][C@H](C)[C@H]1CN(C(=O)c2c(C)cc(C)[nH+]c2C)CCO1 ZINC001675604752 1357013495 /nfs/dbraw/zinc/01/34/95/1357013495.db2.gz FHENVCCROCPUFU-NVXWUHKLSA-N 2 2 331.460 2.402 10 30 EEEELP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)C(C)(C)C1 ZINC000940850448 779389795 /nfs/dbraw/zinc/38/97/95/779389795.db2.gz FOBROJFMOABKAR-NVXWUHKLSA-N 2 2 330.476 2.238 10 30 EEEELP C=C(C)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)C(C)(C)C1 ZINC000940850448 779389797 /nfs/dbraw/zinc/38/97/97/779389797.db2.gz FOBROJFMOABKAR-NVXWUHKLSA-N 2 2 330.476 2.238 10 30 EEEELP C=CCCC[NH+]1CCC(N(C)C(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC001479889496 1099264240 /nfs/dbraw/zinc/26/42/40/1099264240.db2.gz BYQNJOQFTWJPJR-MRXNPFEDSA-N 2 2 330.476 2.335 10 30 EEEELP C=C(C)CC[N@@H+](C)C[C@H]1CCN(C(=O)Cc2c[nH+]ccc2OC)C1 ZINC001494146529 1103600487 /nfs/dbraw/zinc/60/04/87/1103600487.db2.gz UPWWBMKKFPAWDA-MRXNPFEDSA-N 2 2 331.460 2.379 10 30 EEEELP C=C(C)CC[N@H+](C)C[C@H]1CCN(C(=O)Cc2c[nH+]ccc2OC)C1 ZINC001494146529 1103600491 /nfs/dbraw/zinc/60/04/91/1103600491.db2.gz UPWWBMKKFPAWDA-MRXNPFEDSA-N 2 2 331.460 2.379 10 30 EEEELP C[C@H](CC(=O)N[C@@H](C)CC[NH2+]Cc1ccc(C#N)s1)n1cc[nH+]c1 ZINC001568682642 1124695079 /nfs/dbraw/zinc/69/50/79/1124695079.db2.gz OIXVAEDOYAHUJY-UONOGXRCSA-N 2 2 345.472 2.452 10 30 EEEELP C[C@@H]1C[C@@H]([NH+](C)[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC[N@@H+]1C ZINC000248763683 297259534 /nfs/dbraw/zinc/25/95/34/297259534.db2.gz RGPNHZCHSWCDCZ-MNEFBYGVSA-N 2 2 340.471 2.468 10 30 EEEELP C[C@@H]1C[C@@H]([NH+](C)[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC[N@H+]1C ZINC000248763683 297259535 /nfs/dbraw/zinc/25/95/35/297259535.db2.gz RGPNHZCHSWCDCZ-MNEFBYGVSA-N 2 2 340.471 2.468 10 30 EEEELP C[C@@H]1C[C@@H]([N@H+](C)[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC[NH+]1C ZINC000248763683 297259536 /nfs/dbraw/zinc/25/95/36/297259536.db2.gz RGPNHZCHSWCDCZ-MNEFBYGVSA-N 2 2 340.471 2.468 10 30 EEEELP C[C@@H]1C[C@@H]([N@@H+](C)[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC[NH+]1C ZINC000248763683 297259537 /nfs/dbraw/zinc/25/95/37/297259537.db2.gz RGPNHZCHSWCDCZ-MNEFBYGVSA-N 2 2 340.471 2.468 10 30 EEEELP C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193642296 463724092 /nfs/dbraw/zinc/72/40/92/463724092.db2.gz CUYOBRFQLZSBSR-OAGGEKHMSA-N 2 2 333.501 2.145 10 30 EEEELP C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193642296 463724098 /nfs/dbraw/zinc/72/40/98/463724098.db2.gz CUYOBRFQLZSBSR-OAGGEKHMSA-N 2 2 333.501 2.145 10 30 EEEELP C=CCN(Cc1cccs1)C(=O)[C@@H](C)[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000193642296 463724102 /nfs/dbraw/zinc/72/41/02/463724102.db2.gz CUYOBRFQLZSBSR-OAGGEKHMSA-N 2 2 333.501 2.145 10 30 EEEELP C=CCN(Cc1cccs1)C(=O)[C@@H](C)[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000193642296 463724105 /nfs/dbraw/zinc/72/41/05/463724105.db2.gz CUYOBRFQLZSBSR-OAGGEKHMSA-N 2 2 333.501 2.145 10 30 EEEELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CC(=O)N(CC)C[C@H](C)C#N)C1 ZINC000246307196 464569575 /nfs/dbraw/zinc/56/95/75/464569575.db2.gz ACOOHQWHSYRHLS-CVEARBPZSA-N 2 2 331.464 2.091 10 30 EEEELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CC(=O)N(CC)C[C@H](C)C#N)C1 ZINC000246307196 464569579 /nfs/dbraw/zinc/56/95/79/464569579.db2.gz ACOOHQWHSYRHLS-CVEARBPZSA-N 2 2 331.464 2.091 10 30 EEEELP N#Cc1ccc(O[C@@H]2CC[N@H+](Cc3ccnn3-c3cc[nH+]cc3)C2)nc1 ZINC000597130458 468454684 /nfs/dbraw/zinc/45/46/84/468454684.db2.gz RTGROQCSVXLFPL-GOSISDBHSA-N 2 2 346.394 2.187 10 30 EEEELP N#Cc1ccc(O[C@@H]2CC[N@@H+](Cc3ccnn3-c3cc[nH+]cc3)C2)nc1 ZINC000597130458 468454687 /nfs/dbraw/zinc/45/46/87/468454687.db2.gz RTGROQCSVXLFPL-GOSISDBHSA-N 2 2 346.394 2.187 10 30 EEEELP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000567986091 468251005 /nfs/dbraw/zinc/25/10/05/468251005.db2.gz IYPYZAZTHJUQGO-SOLBZPMBSA-N 2 2 344.415 2.150 10 30 EEEELP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000567986091 468251008 /nfs/dbraw/zinc/25/10/08/468251008.db2.gz IYPYZAZTHJUQGO-SOLBZPMBSA-N 2 2 344.415 2.150 10 30 EEEELP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000567986088 468251140 /nfs/dbraw/zinc/25/11/40/468251140.db2.gz IYPYZAZTHJUQGO-JFIYKMOQSA-N 2 2 344.415 2.150 10 30 EEEELP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000567986088 468251144 /nfs/dbraw/zinc/25/11/44/468251144.db2.gz IYPYZAZTHJUQGO-JFIYKMOQSA-N 2 2 344.415 2.150 10 30 EEEELP Cn1cc[nH+]c1[C@@H](NC(=O)[C@H]([NH3+])CCCCC#N)c1cccc(F)c1 ZINC000594440688 468588663 /nfs/dbraw/zinc/58/86/63/468588663.db2.gz HTXZULHILJNDMB-CVEARBPZSA-N 2 2 343.406 2.176 10 30 EEEELP Cn1cc[nH+]c1[C@@H](NC(=O)[C@H]([NH3+])CCCCC#N)c1ccccc1F ZINC000594440508 468589145 /nfs/dbraw/zinc/58/91/45/468589145.db2.gz DQWKZUZKMUXLJB-CVEARBPZSA-N 2 2 343.406 2.176 10 30 EEEELP COCC[NH+](CCOC)C1CC[NH+](Cc2ccc(C)c(C#N)c2)CC1 ZINC000599417689 469248781 /nfs/dbraw/zinc/24/87/81/469248781.db2.gz ONIKZOHOFGNISY-UHFFFAOYSA-N 2 2 345.487 2.426 10 30 EEEELP C[C@@H]1C[N@H+](Cc2cnc3ccc(C#N)cn23)CCN1c1cc[nH+]cc1 ZINC000895556588 684641249 /nfs/dbraw/zinc/64/12/49/684641249.db2.gz LCLBNYOYLIRVGH-OAHLLOKOSA-N 2 2 332.411 2.312 10 30 EEEELP C[C@@H]1C[N@@H+](Cc2cnc3ccc(C#N)cn23)CCN1c1cc[nH+]cc1 ZINC000895556588 684641252 /nfs/dbraw/zinc/64/12/52/684641252.db2.gz LCLBNYOYLIRVGH-OAHLLOKOSA-N 2 2 332.411 2.312 10 30 EEEELP C=C(Br)C[NH2+]CCC[C@H](C)NC(=O)Cc1[nH]c[nH+]c1C ZINC001485746469 1191929449 /nfs/dbraw/zinc/92/94/49/1191929449.db2.gz HNMZHNKUEQFINV-NSHDSACASA-N 2 2 343.269 2.044 10 30 EEEELP C=CCC[N@@H+]1CC[C@H](CCNC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001267558726 1179359121 /nfs/dbraw/zinc/35/91/21/1179359121.db2.gz GCSHSXCUYKAWDJ-INIZCTEOSA-N 2 2 330.476 2.166 10 30 EEEELP C=CCC[N@H+]1CC[C@H](CCNC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001267558726 1179359130 /nfs/dbraw/zinc/35/91/30/1179359130.db2.gz GCSHSXCUYKAWDJ-INIZCTEOSA-N 2 2 330.476 2.166 10 30 EEEELP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](CC/C=C/CCC)C1 ZINC001267627805 1180022890 /nfs/dbraw/zinc/02/28/90/1180022890.db2.gz GIDXJQWASDUOBM-FNYRVFDFSA-N 2 2 331.504 2.411 10 30 EEEELP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCC[N@H+](CC/C=C/CCC)C1 ZINC001267627805 1180022894 /nfs/dbraw/zinc/02/28/94/1180022894.db2.gz GIDXJQWASDUOBM-FNYRVFDFSA-N 2 2 331.504 2.411 10 30 EEEELP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCC[NH+](CC/C=C/CCC)C1 ZINC001267627805 1180022901 /nfs/dbraw/zinc/02/29/01/1180022901.db2.gz GIDXJQWASDUOBM-FNYRVFDFSA-N 2 2 331.504 2.411 10 30 EEEELP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCC[NH+](CC/C=C/CCC)C1 ZINC001267627805 1180022908 /nfs/dbraw/zinc/02/29/08/1180022908.db2.gz GIDXJQWASDUOBM-FNYRVFDFSA-N 2 2 331.504 2.411 10 30 EEEELP C=CCCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CCc1c[nH+]cn1C ZINC001269601712 1184426657 /nfs/dbraw/zinc/42/66/57/1184426657.db2.gz MHKZILMOAQDBAR-AEFFLSMTSA-N 2 2 330.476 2.384 10 30 EEEELP C=CCCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CCc1c[nH+]cn1C ZINC001269601712 1184426660 /nfs/dbraw/zinc/42/66/60/1184426660.db2.gz MHKZILMOAQDBAR-AEFFLSMTSA-N 2 2 330.476 2.384 10 30 EEEELP C=CCC[NH2+][C@@H]1CCCCCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001691625851 1188676969 /nfs/dbraw/zinc/67/69/69/1188676969.db2.gz OZSONNATHUFAKE-IAGOWNOFSA-N 2 2 330.476 2.382 10 30 EEEELP C=CCCC[NH2+]CC1CC(NC(=O)c2cc([C@@H]3CCC[N@H+]3C)n[nH]2)C1 ZINC001275233308 1205287062 /nfs/dbraw/zinc/28/70/62/1205287062.db2.gz WCUDYSBJORPVDK-JMLCCBQJSA-N 2 2 345.491 2.241 10 30 EEEELP C=CCCC[NH2+]CC1CC(NC(=O)c2cc([C@@H]3CCC[N@@H+]3C)n[nH]2)C1 ZINC001275233308 1205287063 /nfs/dbraw/zinc/28/70/63/1205287063.db2.gz WCUDYSBJORPVDK-JMLCCBQJSA-N 2 2 345.491 2.241 10 30 EEEELP CC[C@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)c1cccc(C#N)c1O ZINC000924631561 1206007302 /nfs/dbraw/zinc/00/73/02/1206007302.db2.gz HPCAIDCGPJNFBU-SFHVURJKSA-N 2 2 330.476 2.331 10 30 EEEELP CC[C@H]([NH2+]CCCC[NH+]1CCN(C)CC1)c1cccc(C#N)c1O ZINC000924663472 1206013850 /nfs/dbraw/zinc/01/38/50/1206013850.db2.gz VDXYJLSDESYRLL-SFHVURJKSA-N 2 2 330.476 2.332 10 30 EEEELP C=CCC[C@H](C)[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001691742774 1215009394 /nfs/dbraw/zinc/00/93/94/1215009394.db2.gz KCDXMTZWFKZTGY-FIDHJVLJSA-N 2 2 330.476 2.363 10 30 EEEELP C[C@H](CC(=O)NC[C@H](C)[NH2+]Cc1ccccc1C#N)n1cc[nH+]c1 ZINC001491595174 1330178118 /nfs/dbraw/zinc/17/81/18/1330178118.db2.gz MSKCRHIRFJQBGT-LSDHHAIUSA-N 2 2 325.416 2.000 10 30 EEEELP C=CC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC001320168622 1332841988 /nfs/dbraw/zinc/84/19/88/1332841988.db2.gz DXPYIKVRQUYZNK-WBVHZDCISA-N 2 2 326.444 2.246 10 30 EEEELP C=CC[NH2+]C[C@H]1CC[C@H](NC(=O)c2cc([C@@H]3CCC[N@H+]3C)n[nH]2)CC1 ZINC001326521712 1334109135 /nfs/dbraw/zinc/10/91/35/1334109135.db2.gz NYVSCGYBJCYXAM-MPGHIAIKSA-N 2 2 345.491 2.241 10 30 EEEELP C=CC[NH2+]C[C@H]1CC[C@H](NC(=O)c2cc([C@@H]3CCC[N@@H+]3C)n[nH]2)CC1 ZINC001326521712 1334109138 /nfs/dbraw/zinc/10/91/38/1334109138.db2.gz NYVSCGYBJCYXAM-MPGHIAIKSA-N 2 2 345.491 2.241 10 30 EEEELP CC#CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001327504763 1334303597 /nfs/dbraw/zinc/30/35/97/1334303597.db2.gz ADWXYVULZNIXOF-IBGZPJMESA-N 2 2 339.483 2.037 10 30 EEEELP CC#CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001327504763 1334303601 /nfs/dbraw/zinc/30/36/01/1334303601.db2.gz ADWXYVULZNIXOF-IBGZPJMESA-N 2 2 339.483 2.037 10 30 EEEELP C=CC[N@@H+](CC)CC1CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC001328577573 1334483075 /nfs/dbraw/zinc/48/30/75/1334483075.db2.gz IDNFETIYBXVRDC-QGZVFWFLSA-N 2 2 330.476 2.192 10 30 EEEELP C=CC[N@H+](CC)CC1CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC001328577573 1334483077 /nfs/dbraw/zinc/48/30/77/1334483077.db2.gz IDNFETIYBXVRDC-QGZVFWFLSA-N 2 2 330.476 2.192 10 30 EEEELP C=CCC[C@@H](C)[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001571132721 1343163885 /nfs/dbraw/zinc/16/38/85/1343163885.db2.gz XJAXLBALZMBRPF-QBPKDAKJSA-N 2 2 330.476 2.285 10 30 EEEELP C#CCC[NH+]1CCC(N(CCC)C(=O)Cc2c[nH+]ccc2OC)CC1 ZINC001661089675 1354589244 /nfs/dbraw/zinc/58/92/44/1354589244.db2.gz FKGNQAJAGILYRO-UHFFFAOYSA-N 2 2 343.471 2.359 10 30 EEEELP C=CCC[NH2+]CC[C@H]1CCCN(C(=O)Cc2c[nH+]ccc2OC)C1 ZINC001666119703 1355457411 /nfs/dbraw/zinc/45/74/11/1355457411.db2.gz FJYYWVVLELADSQ-MRXNPFEDSA-N 2 2 331.460 2.427 10 30 EEEELP CCN(CC[NH2+]Cc1cccc(C#N)c1)C(=O)c1cccc2[nH+]ccn21 ZINC001668493804 1355951996 /nfs/dbraw/zinc/95/19/96/1355951996.db2.gz WDKKQRUJXZFXOG-UHFFFAOYSA-N 2 2 347.422 2.458 10 30 EEEELP CC#CC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001699943575 1405592782 /nfs/dbraw/zinc/59/27/82/1405592782.db2.gz JKIDJSIXEBGTPT-FUHWJXTLSA-N 2 2 336.439 2.336 10 30 EEEELP C=C(Br)C[NH2+][C@@H](C)CN(C)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001448775900 1093854133 /nfs/dbraw/zinc/85/41/33/1093854133.db2.gz SOYVJLUEKKKKCU-NSHDSACASA-N 2 2 343.269 2.032 10 30 EEEELP C[C@@H](NC(=O)CCCn1cc[nH+]c1)[C@@H](C)[NH2+]Cc1ccc(C#N)cc1 ZINC001440847806 1094105796 /nfs/dbraw/zinc/10/57/96/1094105796.db2.gz HKVZZUOSOIQUHV-HZPDHXFCSA-N 2 2 339.443 2.218 10 30 EEEELP C=C(Cl)C[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001441442144 1095065390 /nfs/dbraw/zinc/06/53/90/1095065390.db2.gz QVPZSMLUXGJGTP-CABCVRRESA-N 2 2 336.867 2.025 10 30 EEEELP CC#CC[N@H+](C)C[C@@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001494150579 1103610249 /nfs/dbraw/zinc/61/02/49/1103610249.db2.gz ULZZMJHWMXIYEA-KRWDZBQOSA-N 2 2 336.439 2.290 10 30 EEEELP CC#CC[N@@H+](C)C[C@@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001494150579 1103610253 /nfs/dbraw/zinc/61/02/53/1103610253.db2.gz ULZZMJHWMXIYEA-KRWDZBQOSA-N 2 2 336.439 2.290 10 30 EEEELP C=CC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC001501181173 1113231135 /nfs/dbraw/zinc/23/11/35/1113231135.db2.gz CKAHWTVQJRBWSU-ULQDDVLXSA-N 2 2 330.476 2.144 10 30 EEEELP C=C(C)CC[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001505820275 1114213634 /nfs/dbraw/zinc/21/36/34/1114213634.db2.gz OJRNUALCAFKCFJ-MRXNPFEDSA-N 2 2 332.492 2.486 10 30 EEEELP CN(CC[N@H+](C)CC#Cc1ccc(Cl)cc1)C(=O)C[NH+]1CCCC1 ZINC001568503420 1124560463 /nfs/dbraw/zinc/56/04/63/1124560463.db2.gz AUWOVPMQOYBFOQ-UHFFFAOYSA-N 2 2 347.890 2.178 10 30 EEEELP CN(CC[N@@H+](C)CC#Cc1ccc(Cl)cc1)C(=O)C[NH+]1CCCC1 ZINC001568503420 1124560471 /nfs/dbraw/zinc/56/04/71/1124560471.db2.gz AUWOVPMQOYBFOQ-UHFFFAOYSA-N 2 2 347.890 2.178 10 30 EEEELP Cc1cn2c([nH+]1)[C@H](CNC(=O)N1CC[C@@H]3[C@@H](CCC[N@H+]3C)C1)CCC2 ZINC000328693639 465101513 /nfs/dbraw/zinc/10/15/13/465101513.db2.gz FTSXHKRIRGJPTR-YESZJQIVSA-N 2 2 345.491 2.399 10 30 EEEELP Cc1cn2c([nH+]1)[C@H](CNC(=O)N1CC[C@@H]3[C@@H](CCC[N@@H+]3C)C1)CCC2 ZINC000328693639 465101515 /nfs/dbraw/zinc/10/15/15/465101515.db2.gz FTSXHKRIRGJPTR-YESZJQIVSA-N 2 2 345.491 2.399 10 30 EEEELP Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)cc1 ZINC000193626675 463722543 /nfs/dbraw/zinc/72/25/43/463722543.db2.gz NHXQVYCEVFGXPS-KURKYZTESA-N 2 2 340.471 2.124 10 30 EEEELP Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)cc1 ZINC000193626675 463722547 /nfs/dbraw/zinc/72/25/47/463722547.db2.gz NHXQVYCEVFGXPS-KURKYZTESA-N 2 2 340.471 2.124 10 30 EEEELP Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)cc1 ZINC000193626675 463722551 /nfs/dbraw/zinc/72/25/51/463722551.db2.gz NHXQVYCEVFGXPS-KURKYZTESA-N 2 2 340.471 2.124 10 30 EEEELP Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)cc1 ZINC000193626675 463722554 /nfs/dbraw/zinc/72/25/54/463722554.db2.gz NHXQVYCEVFGXPS-KURKYZTESA-N 2 2 340.471 2.124 10 30 EEEELP C=C(C)C[NH+]1CCC([NH2+]Cc2c(Br)cnn2C)CC1 ZINC000278587996 463972852 /nfs/dbraw/zinc/97/28/52/463972852.db2.gz ZFYBSKCSUFTOJP-UHFFFAOYSA-N 2 2 327.270 2.313 10 30 EEEELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CC(=O)N(CC)C[C@H](C)C#N)C1 ZINC000246307202 464569818 /nfs/dbraw/zinc/56/98/18/464569818.db2.gz ACOOHQWHSYRHLS-HZPDHXFCSA-N 2 2 331.464 2.091 10 30 EEEELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CC(=O)N(CC)C[C@H](C)C#N)C1 ZINC000246307202 464569825 /nfs/dbraw/zinc/56/98/25/464569825.db2.gz ACOOHQWHSYRHLS-HZPDHXFCSA-N 2 2 331.464 2.091 10 30 EEEELP Cc1cn2cc(NC(=O)N(CCC#N)CCC[NH+](C)C)ccc2[nH+]1 ZINC000267906111 464945065 /nfs/dbraw/zinc/94/50/65/464945065.db2.gz ATVFRIFZPGTZQX-UHFFFAOYSA-N 2 2 328.420 2.342 10 30 EEEELP CC(C)[N@H+]1CCC[C@H](C[NH2+]CCS(=O)(=O)c2cccc(C#N)c2)C1 ZINC000514856241 467958532 /nfs/dbraw/zinc/95/85/32/467958532.db2.gz WOQMIDGOOMKAOS-QGZVFWFLSA-N 2 2 349.500 2.042 10 30 EEEELP C[C@H](c1cccc(F)c1)[NH+]1CCN(C(=O)[C@@H]([NH3+])CCCCC#N)CC1 ZINC000594435769 468585497 /nfs/dbraw/zinc/58/54/97/468585497.db2.gz KCPFQMFCMTWDCP-QAPCUYQASA-N 2 2 346.450 2.442 10 30 EEEELP CC(C)C[C@@H](C[NH+]1CCCC1)[NH2+]C[C@@H](O)CC1(C#N)CCOCC1 ZINC000600738516 468643317 /nfs/dbraw/zinc/64/33/17/468643317.db2.gz JFQRUKQYNVHUTN-ROUUACIJSA-N 2 2 337.508 2.158 10 30 EEEELP C=CC[C@@]1(C(=O)N2CC[NH+](Cc3cccc(F)c3)CC2)CCC[NH2+]1 ZINC000662787250 472251076 /nfs/dbraw/zinc/25/10/76/472251076.db2.gz KMJIYXDKMACOLO-IBGZPJMESA-N 2 2 331.435 2.168 10 30 EEEELP C#CCC[N@H+]1CCC[C@@H]([C@H](C)NC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001266889462 1177718584 /nfs/dbraw/zinc/71/85/84/1177718584.db2.gz DOZHBJRFXUTPSV-DLBZAZTESA-N 2 2 342.487 2.002 10 30 EEEELP C#CCC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001266889462 1177718590 /nfs/dbraw/zinc/71/85/90/1177718590.db2.gz DOZHBJRFXUTPSV-DLBZAZTESA-N 2 2 342.487 2.002 10 30 EEEELP CC#CC[NH2+]CCc1ccc(CNC(=O)C[C@H](C)n2cc[nH+]c2)cc1 ZINC001267097712 1178233409 /nfs/dbraw/zinc/23/34/09/1178233409.db2.gz NWQJUKNTQVSYBJ-KRWDZBQOSA-N 2 2 338.455 2.306 10 30 EEEELP C=CCCC[NH2+]C[C@@](C)(NC(=O)[C@H]1CCc2[nH+]ccn2C1)C1CC1 ZINC001267855669 1180639764 /nfs/dbraw/zinc/63/97/64/1180639764.db2.gz FOORJGDLBWQWBT-HNAYVOBHSA-N 2 2 330.476 2.286 10 30 EEEELP C#CC[NH2+]CC[C@@H]1CCCCN1C(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC001268168801 1181923896 /nfs/dbraw/zinc/92/38/96/1181923896.db2.gz YFFPQXSELJDQRA-SFHVURJKSA-N 2 2 338.455 2.179 10 30 EEEELP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@]1(C)CCC[NH+](C/C=C\Cl)C1 ZINC001270965576 1185776545 /nfs/dbraw/zinc/77/65/45/1185776545.db2.gz LIMNXLVQEABBGT-RCCZTWBHSA-N 2 2 337.895 2.055 10 30 EEEELP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@]1(C)CCC[NH+](C/C=C\Cl)C1 ZINC001270965576 1185776549 /nfs/dbraw/zinc/77/65/49/1185776549.db2.gz LIMNXLVQEABBGT-RCCZTWBHSA-N 2 2 337.895 2.055 10 30 EEEELP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@]1(C)CCC[N@H+](C/C=C\Cl)C1 ZINC001270965576 1185776553 /nfs/dbraw/zinc/77/65/53/1185776553.db2.gz LIMNXLVQEABBGT-RCCZTWBHSA-N 2 2 337.895 2.055 10 30 EEEELP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@]1(C)CCC[N@@H+](C/C=C\Cl)C1 ZINC001270965576 1185776557 /nfs/dbraw/zinc/77/65/57/1185776557.db2.gz LIMNXLVQEABBGT-RCCZTWBHSA-N 2 2 337.895 2.055 10 30 EEEELP C=CCC[NH2+]C1(CNC(=O)c2c(C)cc(C)[nH+]c2C)CCOCC1 ZINC001271050619 1185843242 /nfs/dbraw/zinc/84/32/42/1185843242.db2.gz VPUAZQGMCAQIMO-UHFFFAOYSA-N 2 2 331.460 2.452 10 30 EEEELP C[C@H](CC[NH2+]CC#Cc1ccccc1)NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001482879555 1187798651 /nfs/dbraw/zinc/79/86/51/1187798651.db2.gz WVFNBRUDRBSHQR-QZTJIDSGSA-N 2 2 338.455 2.370 10 30 EEEELP C[C@@H]([NH2+]Cc1ccc(C#N)c(F)c1)[C@H](C)NC(=O)CCc1c[nH]c[nH+]1 ZINC001409387782 1189613619 /nfs/dbraw/zinc/61/36/19/1189613619.db2.gz RKWWEYIIGGBFEC-OLZOCXBDSA-N 2 2 343.406 2.036 10 30 EEEELP C[C@@H]([NH2+]Cc1ccc(C#N)c(F)c1)[C@H](C)NC(=O)CCc1c[nH+]c[nH]1 ZINC001409387782 1189613625 /nfs/dbraw/zinc/61/36/25/1189613625.db2.gz RKWWEYIIGGBFEC-OLZOCXBDSA-N 2 2 343.406 2.036 10 30 EEEELP C[C@@H](CNC(=O)C1([NH+](C)C)CCC1)[N@H+](C)Cc1cc(F)ccc1C#N ZINC001409591957 1190076724 /nfs/dbraw/zinc/07/67/24/1190076724.db2.gz PKPVDWUHYYCGKG-AWEZNQCLSA-N 2 2 346.450 2.118 10 30 EEEELP C[C@@H](CNC(=O)C1([NH+](C)C)CCC1)[N@@H+](C)Cc1cc(F)ccc1C#N ZINC001409591957 1190076727 /nfs/dbraw/zinc/07/67/27/1190076727.db2.gz PKPVDWUHYYCGKG-AWEZNQCLSA-N 2 2 346.450 2.118 10 30 EEEELP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H](C)C[N@H+](C)Cc1cc(C)ccc1F ZINC001483352103 1190388403 /nfs/dbraw/zinc/38/84/03/1190388403.db2.gz WMVOFSKCGHIABN-LPHOPBHVSA-N 2 2 345.462 2.168 10 30 EEEELP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H](C)C[N@@H+](C)Cc1cc(C)ccc1F ZINC001483352103 1190388408 /nfs/dbraw/zinc/38/84/08/1190388408.db2.gz WMVOFSKCGHIABN-LPHOPBHVSA-N 2 2 345.462 2.168 10 30 EEEELP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH+](C)Cc1cc(C)ccc1F ZINC001483352103 1190388412 /nfs/dbraw/zinc/38/84/12/1190388412.db2.gz WMVOFSKCGHIABN-LPHOPBHVSA-N 2 2 345.462 2.168 10 30 EEEELP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH+](C)Cc1cc(C)ccc1F ZINC001483352103 1190388417 /nfs/dbraw/zinc/38/84/17/1190388417.db2.gz WMVOFSKCGHIABN-LPHOPBHVSA-N 2 2 345.462 2.168 10 30 EEEELP C=C(Cl)C[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001484099970 1191210617 /nfs/dbraw/zinc/21/06/17/1191210617.db2.gz KURSDZQGYQLSBN-RHSMWYFYSA-N 2 2 336.867 2.026 10 30 EEEELP C#CCC[NH2+][C@H](C)c1ccc(CNC(=O)CCc2c[nH+]cn2C)cc1 ZINC001484561666 1191416531 /nfs/dbraw/zinc/41/65/31/1191416531.db2.gz DEGHBMZRLUXPIH-MRXNPFEDSA-N 2 2 338.455 2.343 10 30 EEEELP CCCCCCC[NH+]1CC2(C1)CN(C(=O)Cn1cc[nH+]c1C)CCO2 ZINC001484778335 1191516824 /nfs/dbraw/zinc/51/68/24/1191516824.db2.gz MEVIWERUXLOKAQ-UHFFFAOYSA-N 2 2 348.491 2.075 10 30 EEEELP C=C(C)CC[NH2+]C1(CNC(=O)Cc2cn3c([nH+]2)CCCC3)CCC1 ZINC001273084548 1194375615 /nfs/dbraw/zinc/37/56/15/1194375615.db2.gz RTAKJZIYKLFENV-UHFFFAOYSA-N 2 2 330.476 2.357 10 30 EEEELP C#CCNC(=O)CC[NH2+][C@H]1CCCCC[N@H+](Cc2ccccc2)C1 ZINC000872219937 1198095142 /nfs/dbraw/zinc/09/51/42/1198095142.db2.gz HJSOFBRUUCEFDD-IBGZPJMESA-N 2 2 327.472 2.160 10 30 EEEELP C#CCNC(=O)CC[NH2+][C@H]1CCCCC[N@@H+](Cc2ccccc2)C1 ZINC000872219937 1198095150 /nfs/dbraw/zinc/09/51/50/1198095150.db2.gz HJSOFBRUUCEFDD-IBGZPJMESA-N 2 2 327.472 2.160 10 30 EEEELP C#CCC[NH2+]CC[C@H]1[C@@H](C)CCCN1C(=O)CCCn1cc[nH+]c1 ZINC001691737066 1210827701 /nfs/dbraw/zinc/82/77/01/1210827701.db2.gz ADUHONVJZIUMOF-ROUUACIJSA-N 2 2 330.476 2.293 10 30 EEEELP CC#CC[NH2+]C[C@]1(C)CCN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001278510826 1310971862 /nfs/dbraw/zinc/97/18/62/1310971862.db2.gz DPJPNQYMJAVMBX-MJGOQNOKSA-N 2 2 330.476 2.322 10 30 EEEELP C=CC[N@H+]1CCC[C@@H]2[C@@H](NC(=O)CCc3c[nH+]cn3C)C(C)(C)[C@H]21 ZINC001264033642 1322593486 /nfs/dbraw/zinc/59/34/86/1322593486.db2.gz UTBKERGSVGJJOE-NXHRZFHOSA-N 2 2 330.476 2.144 10 30 EEEELP C=CC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)CCc3c[nH+]cn3C)C(C)(C)[C@H]21 ZINC001264033642 1322593491 /nfs/dbraw/zinc/59/34/91/1322593491.db2.gz UTBKERGSVGJJOE-NXHRZFHOSA-N 2 2 330.476 2.144 10 30 EEEELP C=CC[NH2+]C[C@H]1CN(C(=O)CCn2cc[nH+]c2)CC[C@H]1C(F)(F)F ZINC001264595105 1322745549 /nfs/dbraw/zinc/74/55/49/1322745549.db2.gz WKPAJVPGADUQFC-UONOGXRCSA-N 2 2 344.381 2.076 10 30 EEEELP C=C(C)CC[N@@H+](CCO)[C@H]1CCCN(C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001264635339 1322759738 /nfs/dbraw/zinc/75/97/38/1322759738.db2.gz ZUEHUTAKUYYMEP-ROUUACIJSA-N 2 2 348.491 2.086 10 30 EEEELP C=C(C)CC[N@H+](CCO)[C@H]1CCCN(C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001264635339 1322759741 /nfs/dbraw/zinc/75/97/41/1322759741.db2.gz ZUEHUTAKUYYMEP-ROUUACIJSA-N 2 2 348.491 2.086 10 30 EEEELP C=C(C)CC[N@H+](CCCNC(=O)[C@@H]1CCn2c[nH+]cc2C1)C1CC1 ZINC001316918124 1331984752 /nfs/dbraw/zinc/98/47/52/1331984752.db2.gz PAOPDLZSOPNVNI-MRXNPFEDSA-N 2 2 330.476 2.382 10 30 EEEELP C=C(C)CC[N@@H+](CCCNC(=O)[C@@H]1CCn2c[nH+]cc2C1)C1CC1 ZINC001316918124 1331984754 /nfs/dbraw/zinc/98/47/54/1331984754.db2.gz PAOPDLZSOPNVNI-MRXNPFEDSA-N 2 2 330.476 2.382 10 30 EEEELP C[C@H](CC(=O)N[C@H]1C[C@@H]([NH2+]CC#Cc2ccccc2)C1)n1cc[nH+]c1 ZINC001317122614 1332087428 /nfs/dbraw/zinc/08/74/28/1332087428.db2.gz RWUDAGZKTARXHP-QRQLOZEOSA-N 2 2 336.439 2.123 10 30 EEEELP C#CCC[N@@H+](CCCNC(=O)c1cc([C@H]2CCC[NH+]2C)n[nH]1)C(C)C ZINC001317686019 1332372415 /nfs/dbraw/zinc/37/24/15/1332372415.db2.gz IARSARXLQDHCSA-GOSISDBHSA-N 2 2 345.491 2.030 10 30 EEEELP C#CCC[N@H+](CCCNC(=O)c1cc([C@H]2CCC[NH+]2C)n[nH]1)C(C)C ZINC001317686019 1332372416 /nfs/dbraw/zinc/37/24/16/1332372416.db2.gz IARSARXLQDHCSA-GOSISDBHSA-N 2 2 345.491 2.030 10 30 EEEELP 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ZINC001566712047 1342611101 /nfs/dbraw/zinc/61/11/01/1342611101.db2.gz AEMAOBAGYLGGJB-ZWKOTPCHSA-N 2 2 345.491 2.241 10 30 EEEELP C=C(C)CC[NH2+][C@@H](CNC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1)C1CC1 ZINC001566712047 1342611105 /nfs/dbraw/zinc/61/11/05/1342611105.db2.gz AEMAOBAGYLGGJB-ZWKOTPCHSA-N 2 2 345.491 2.241 10 30 EEEELP C=CCCCCC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001566795642 1342631012 /nfs/dbraw/zinc/63/10/12/1342631012.db2.gz ZLEWTNVFQPERHR-BRWVUGGUSA-N 2 2 330.476 2.429 10 30 EEEELP C=CCCC[N@@H+](C)C1CCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC001676057316 1357098627 /nfs/dbraw/zinc/09/86/27/1357098627.db2.gz WGHROWBBBPNUGQ-INIZCTEOSA-N 2 2 330.476 2.335 10 30 EEEELP C=CCCC[N@H+](C)C1CCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC001676057316 1357098631 /nfs/dbraw/zinc/09/86/31/1357098631.db2.gz WGHROWBBBPNUGQ-INIZCTEOSA-N 2 2 330.476 2.335 10 30 EEEELP C=C(C)CC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001676228349 1357123799 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C[C@@H](CN(C)C(=O)C(C)(C)c1c[nH+]c[nH]1)[NH2+]Cc1ccccc1C#N ZINC001448774670 1093852550 /nfs/dbraw/zinc/85/25/50/1093852550.db2.gz QLGVURNSTSECSX-AWEZNQCLSA-N 2 2 339.443 2.196 10 30 EEEELP C[C@@H](NC(=O)CCCn1cc[nH+]c1)[C@H](C)[NH2+]Cc1ccc(C#N)cc1 ZINC001440847815 1094105831 /nfs/dbraw/zinc/10/58/31/1094105831.db2.gz HKVZZUOSOIQUHV-JKSUJKDBSA-N 2 2 339.443 2.218 10 30 EEEELP C#CCC[NH2+]CC[C@@H]1CCCCN1C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001496396806 1100989807 /nfs/dbraw/zinc/98/98/07/1100989807.db2.gz SYODXCAVXGRWEW-SFHVURJKSA-N 2 2 342.487 2.146 10 30 EEEELP C=CC[NH2+]CCc1ccc(CNC(=O)[C@H]2CCn3cc[nH+]c3C2)cc1 ZINC001480714002 1106942075 /nfs/dbraw/zinc/94/20/75/1106942075.db2.gz ANFNUQSWKXDYLQ-SFHVURJKSA-N 2 2 338.455 2.080 10 30 EEEELP CN(CC[NH2+]Cc1ccc(C#N)cc1)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001493597537 1108380314 /nfs/dbraw/zinc/38/03/14/1108380314.db2.gz GUWVDMCNYIFNPP-UHFFFAOYSA-N 2 2 333.395 2.296 10 30 EEEELP C#CCN(C(=O)CCc1c[nH+]cn1C)C1CC[NH+](C[C@@H](C)CC)CC1 ZINC001500057995 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C[C@H](c1ccsc1)[NH+]1CCN(C(=O)[C@H]([NH3+])CCCCC#N)CC1 ZINC000594447163 468592751 /nfs/dbraw/zinc/59/27/51/468592751.db2.gz ULRQZUONILXZGS-GDBMZVCRSA-N 2 2 334.489 2.365 10 30 EEEELP N#CC1(C[C@@H](O)C[NH2+]C[C@H]2CC[N@@H+]2C2CCCCC2)CCOCC1 ZINC000600751664 468648156 /nfs/dbraw/zinc/64/81/56/468648156.db2.gz SAJSAXJIUKMMRJ-QZTJIDSGSA-N 2 2 335.492 2.054 10 30 EEEELP N#CC1(C[C@@H](O)C[NH2+]C[C@H]2CC[N@H+]2C2CCCCC2)CCOCC1 ZINC000600751664 468648160 /nfs/dbraw/zinc/64/81/60/468648160.db2.gz SAJSAXJIUKMMRJ-QZTJIDSGSA-N 2 2 335.492 2.054 10 30 EEEELP CC1(C)CC([NH2+]CCS(=O)(=O)c2cccc(C#N)c2)CC(C)(C)[NH2+]1 ZINC000558718537 468711305 /nfs/dbraw/zinc/71/13/05/468711305.db2.gz YOZQGZVECLIUDV-UHFFFAOYSA-N 2 2 349.500 2.231 10 30 EEEELP C[C@@H](C[NH2+]CCS(=O)(=O)c1cccc(C#N)c1)C[NH+]1CCCCC1 ZINC000584108188 468801279 /nfs/dbraw/zinc/80/12/79/468801279.db2.gz QWQBGKRFJLIUEM-INIZCTEOSA-N 2 2 349.500 2.044 10 30 EEEELP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=S)Nc3ccccc3C#N)C2)CC1 ZINC000732722315 577190213 /nfs/dbraw/zinc/19/02/13/577190213.db2.gz ZJHBXVKAEKLEHZ-HNNXBMFYSA-N 2 2 343.500 2.013 10 30 EEEELP C[NH+]1CCC([N@H+]2CC[C@H](NC(=S)Nc3ccccc3C#N)C2)CC1 ZINC000732722315 577190214 /nfs/dbraw/zinc/19/02/14/577190214.db2.gz ZJHBXVKAEKLEHZ-HNNXBMFYSA-N 2 2 343.500 2.013 10 30 EEEELP C=C(CC[NH+](C)C)C(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000899933855 693929981 /nfs/dbraw/zinc/92/99/81/693929981.db2.gz WVHLTZFZOUIWIZ-JXMROGBWSA-N 2 2 327.472 2.352 10 30 EEEELP C#CC[NH2+][C@@H](CNC(=O)Cn1cc[nH+]c1C)c1ccc(C(C)C)cc1 ZINC001267516948 1179237544 /nfs/dbraw/zinc/23/75/44/1179237544.db2.gz HQXKPOCAEQBZQG-IBGZPJMESA-N 2 2 338.455 2.395 10 30 EEEELP C=CCCCCC[NH+]1CC(NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001267656149 1180112530 /nfs/dbraw/zinc/11/25/30/1180112530.db2.gz FUDYRQBFDKZYLZ-MRXNPFEDSA-N 2 2 330.476 2.301 10 30 EEEELP C=CCCCCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001481690699 1182215132 /nfs/dbraw/zinc/21/51/32/1182215132.db2.gz WCISTAHEEYGSMZ-IRXDYDNUSA-N 2 2 330.476 2.382 10 30 EEEELP C=CCCCCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001481690699 1182215141 /nfs/dbraw/zinc/21/51/41/1182215141.db2.gz WCISTAHEEYGSMZ-IRXDYDNUSA-N 2 2 330.476 2.382 10 30 EEEELP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N1CCC([N@H+](CC#N)CC2CC2)CC1 ZINC001269633590 1184458901 /nfs/dbraw/zinc/45/89/01/1184458901.db2.gz ZQWWSUFJGJJXMX-HZPDHXFCSA-N 2 2 332.492 2.086 10 30 EEEELP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N1CCC([N@@H+](CC#N)CC2CC2)CC1 ZINC001269633590 1184458904 /nfs/dbraw/zinc/45/89/04/1184458904.db2.gz ZQWWSUFJGJJXMX-HZPDHXFCSA-N 2 2 332.492 2.086 10 30 EEEELP C[C@H]1CC[C@H](C)[NH+]1CC(=O)N1CCC([N@H+](CC#N)CC2CC2)CC1 ZINC001269633583 1184458935 /nfs/dbraw/zinc/45/89/35/1184458935.db2.gz ZQWWSUFJGJJXMX-HOTGVXAUSA-N 2 2 332.492 2.086 10 30 EEEELP C[C@H]1CC[C@H](C)[NH+]1CC(=O)N1CCC([N@@H+](CC#N)CC2CC2)CC1 ZINC001269633583 1184458941 /nfs/dbraw/zinc/45/89/41/1184458941.db2.gz ZQWWSUFJGJJXMX-HOTGVXAUSA-N 2 2 332.492 2.086 10 30 EEEELP C=CCC[N@@H+](CCOC)C1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1 ZINC001269649407 1184470937 /nfs/dbraw/zinc/47/09/37/1184470937.db2.gz FDLHAHUKBMADNN-UHFFFAOYSA-N 2 2 348.491 2.203 10 30 EEEELP C=CCC[N@H+](CCOC)C1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1 ZINC001269649407 1184470940 /nfs/dbraw/zinc/47/09/40/1184470940.db2.gz FDLHAHUKBMADNN-UHFFFAOYSA-N 2 2 348.491 2.203 10 30 EEEELP C#CCC[NH2+]C[C@H](NC(=O)[C@@H]1CCc2c[nH+]cn2C1)C1CCCCC1 ZINC001482405676 1185628719 /nfs/dbraw/zinc/62/87/19/1185628719.db2.gz HEOVAWGHRYQBIC-MJGOQNOKSA-N 2 2 342.487 2.124 10 30 EEEELP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]([NH2+]C/C(Cl)=C/Cl)C(C)C ZINC001482535527 1186557367 /nfs/dbraw/zinc/55/73/67/1186557367.db2.gz ABPGRYVTXXXMPZ-FVIMBVCGSA-N 2 2 346.302 2.133 10 30 EEEELP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]([NH2+]C/C(Cl)=C/Cl)C(C)C ZINC001482535527 1186557384 /nfs/dbraw/zinc/55/73/84/1186557384.db2.gz ABPGRYVTXXXMPZ-FVIMBVCGSA-N 2 2 346.302 2.133 10 30 EEEELP C[C@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)[NH+](C)Cc1ccc(C#N)cc1F ZINC001409589995 1190071103 /nfs/dbraw/zinc/07/11/03/1190071103.db2.gz NTTXTFYVKIMYLI-RDTXWAMCSA-N 2 2 346.450 2.118 10 30 EEEELP C[C@H](CNC(=O)[C@H]1CCCC[N@H+]1C)[NH+](C)Cc1ccc(C#N)cc1F ZINC001409589995 1190071109 /nfs/dbraw/zinc/07/11/09/1190071109.db2.gz NTTXTFYVKIMYLI-RDTXWAMCSA-N 2 2 346.450 2.118 10 30 EEEELP C[C@H](CNC(=O)[C@H]1CCCC[NH+]1C)[N@H+](C)Cc1ccc(C#N)cc1F ZINC001409589995 1190071110 /nfs/dbraw/zinc/07/11/10/1190071110.db2.gz NTTXTFYVKIMYLI-RDTXWAMCSA-N 2 2 346.450 2.118 10 30 EEEELP C[C@H](CNC(=O)[C@H]1CCCC[NH+]1C)[N@@H+](C)Cc1ccc(C#N)cc1F ZINC001409589995 1190071116 /nfs/dbraw/zinc/07/11/16/1190071116.db2.gz NTTXTFYVKIMYLI-RDTXWAMCSA-N 2 2 346.450 2.118 10 30 EEEELP C=C(C)CC[NH2+]CC[C@@H]1CCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001272473914 1190840012 /nfs/dbraw/zinc/84/00/12/1190840012.db2.gz CKBAMJHTJSGWNR-SJORKVTESA-N 2 2 330.476 2.240 10 30 EEEELP C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCn3cc[nH+]c3C2)CC1(C)C ZINC001486236217 1193762178 /nfs/dbraw/zinc/76/21/78/1193762178.db2.gz OGUNHVINWODRBW-JKSUJKDBSA-N 2 2 330.476 2.238 10 30 EEEELP C=C(C)CC[NH2+][C@H]1CN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1(C)C ZINC001486236214 1193762278 /nfs/dbraw/zinc/76/22/78/1193762278.db2.gz OGUNHVINWODRBW-CVEARBPZSA-N 2 2 330.476 2.238 10 30 EEEELP C=C(C)C[NH2+]Cc1ccc(CNC(=O)CCc2[nH+]ccn2C)c(F)c1 ZINC001486524549 1194047516 /nfs/dbraw/zinc/04/75/16/1194047516.db2.gz IDSCVKGWXXDWQN-UHFFFAOYSA-N 2 2 344.434 2.474 10 30 EEEELP C=CCOCC[N@H+]1CC[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C[C@H]1C ZINC001274634806 1205108106 /nfs/dbraw/zinc/10/81/06/1205108106.db2.gz RAJMTTINTISBIY-SJORKVTESA-N 2 2 348.491 2.098 10 30 EEEELP C=CCOCC[N@@H+]1CC[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C[C@H]1C ZINC001274634806 1205108107 /nfs/dbraw/zinc/10/81/07/1205108107.db2.gz RAJMTTINTISBIY-SJORKVTESA-N 2 2 348.491 2.098 10 30 EEEELP C=CCCC[N@H+]1CC[C@H]([C@@H]2CCCN(C(=O)Cc3c[nH+]cn3C)C2)C1 ZINC001275183181 1205276466 /nfs/dbraw/zinc/27/64/66/1205276466.db2.gz CPPCTJXZDAIGKU-MSOLQXFVSA-N 2 2 344.503 2.489 10 30 EEEELP C=CCCC[N@@H+]1CC[C@H]([C@@H]2CCCN(C(=O)Cc3c[nH+]cn3C)C2)C1 ZINC001275183181 1205276467 /nfs/dbraw/zinc/27/64/67/1205276467.db2.gz CPPCTJXZDAIGKU-MSOLQXFVSA-N 2 2 344.503 2.489 10 30 EEEELP C#CC[NH2+][C@@H](CCN(C)C(=O)c1ccn2c(C)c[nH+]c2c1)C(C)C ZINC001276123454 1205786090 /nfs/dbraw/zinc/78/60/90/1205786090.db2.gz SNKMGBCITCBEGF-KRWDZBQOSA-N 2 2 326.444 2.352 10 30 EEEELP CCC[NH+]1CCN(c2ccccc2C=[NH+]NC(=S)NC(C)C)CC1 ZINC001115850854 1305839765 /nfs/dbraw/zinc/83/97/65/1305839765.db2.gz RJYJBXQSJNLECM-UHFFFAOYSA-N 2 2 347.532 2.425 10 30 EEEELP C#CCN(C(=O)Cc1[nH]cc[nH+]1)C1CC[NH+](CCCC(C)C)CC1 ZINC001278194814 1306247318 /nfs/dbraw/zinc/24/73/18/1306247318.db2.gz UVGNZVQTYRXYLU-UHFFFAOYSA-N 2 2 330.476 2.315 10 30 EEEELP C=CCCC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001266104854 1323669267 /nfs/dbraw/zinc/66/92/67/1323669267.db2.gz AZSOFGBHKBAGHV-IAGOWNOFSA-N 2 2 330.476 2.335 10 30 EEEELP C=CCCC[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001266104854 1323669272 /nfs/dbraw/zinc/66/92/72/1323669272.db2.gz AZSOFGBHKBAGHV-IAGOWNOFSA-N 2 2 330.476 2.335 10 30 EEEELP CCCCCCC[N@@H+]1CC[C@H](N(CC)C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001318456504 1332540205 /nfs/dbraw/zinc/54/02/05/1332540205.db2.gz BSSWGJVPWLXVAU-ZWKOTPCHSA-N 2 2 339.524 2.210 10 30 EEEELP CCCCCCC[N@H+]1CC[C@H](N(CC)C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001318456504 1332540211 /nfs/dbraw/zinc/54/02/11/1332540211.db2.gz BSSWGJVPWLXVAU-ZWKOTPCHSA-N 2 2 339.524 2.210 10 30 EEEELP CCCCCCC[NH+]1CC[C@H](N(CC)C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001318456504 1332540214 /nfs/dbraw/zinc/54/02/14/1332540214.db2.gz BSSWGJVPWLXVAU-ZWKOTPCHSA-N 2 2 339.524 2.210 10 30 EEEELP CCCCCCC[NH+]1CC[C@H](N(CC)C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001318456504 1332540216 /nfs/dbraw/zinc/54/02/16/1332540216.db2.gz BSSWGJVPWLXVAU-ZWKOTPCHSA-N 2 2 339.524 2.210 10 30 EEEELP C=CC[NH2+]C[C@H]1CCC[C@H]1NC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC001320168620 1332842147 /nfs/dbraw/zinc/84/21/47/1332842147.db2.gz DXPYIKVRQUYZNK-NVXWUHKLSA-N 2 2 326.444 2.246 10 30 EEEELP C=CC[NH+]1CCO[C@]2(CCN(C(=O)CC[N@@H+](C)C3CCCCC3)C2)C1 ZINC001330158646 1334788175 /nfs/dbraw/zinc/78/81/75/1334788175.db2.gz AWAJZSUOHTZZBX-HXUWFJFHSA-N 2 2 349.519 2.130 10 30 EEEELP C=CC[NH+]1CCO[C@]2(CCN(C(=O)CC[N@H+](C)C3CCCCC3)C2)C1 ZINC001330158646 1334788177 /nfs/dbraw/zinc/78/81/77/1334788177.db2.gz AWAJZSUOHTZZBX-HXUWFJFHSA-N 2 2 349.519 2.130 10 30 EEEELP C=CC[N@@H+]1CCO[C@]2(CCN(C(=O)CC[NH+](C)C3CCCCC3)C2)C1 ZINC001330158646 1334788178 /nfs/dbraw/zinc/78/81/78/1334788178.db2.gz AWAJZSUOHTZZBX-HXUWFJFHSA-N 2 2 349.519 2.130 10 30 EEEELP C=CC[N@H+]1CCO[C@]2(CCN(C(=O)CC[NH+](C)C3CCCCC3)C2)C1 ZINC001330158646 1334788180 /nfs/dbraw/zinc/78/81/80/1334788180.db2.gz AWAJZSUOHTZZBX-HXUWFJFHSA-N 2 2 349.519 2.130 10 30 EEEELP CC#CC[NH2+][C@H]1CN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)CC1(C)C ZINC001332388940 1335815819 /nfs/dbraw/zinc/81/58/19/1335815819.db2.gz SPHPYGOTZTVOGO-SJORKVTESA-N 2 2 330.476 2.320 10 30 EEEELP C#CC[N@H+]1CCc2c(CNC(=O)C[C@H](C)n3cc[nH+]c3)cccc2C1 ZINC001570079246 1343009933 /nfs/dbraw/zinc/00/99/33/1343009933.db2.gz RDUGRTIQXSJGHX-INIZCTEOSA-N 2 2 336.439 2.142 10 30 EEEELP C#CC[N@@H+]1CCc2c(CNC(=O)C[C@H](C)n3cc[nH+]c3)cccc2C1 ZINC001570079246 1343009938 /nfs/dbraw/zinc/00/99/38/1343009938.db2.gz RDUGRTIQXSJGHX-INIZCTEOSA-N 2 2 336.439 2.142 10 30 EEEELP C#CC[NH2+]CCC[C@H](NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)c1ccccc1 ZINC001676144544 1357113793 /nfs/dbraw/zinc/11/37/93/1357113793.db2.gz OFRQLXHBLVRFHU-KURKYZTESA-N 2 2 336.439 2.374 10 30 EEEELP C#CC[NH2+]CCC[C@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)c1ccccc1 ZINC001676144544 1357113796 /nfs/dbraw/zinc/11/37/96/1357113796.db2.gz OFRQLXHBLVRFHU-KURKYZTESA-N 2 2 336.439 2.374 10 30 EEEELP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2[C@H](C)CCC=C ZINC001664624685 1355201363 /nfs/dbraw/zinc/20/13/63/1355201363.db2.gz GMUMQDIOTYNRDW-YRXWBPOGSA-N 2 2 329.488 2.114 10 30 EEEELP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H](C)CCC=C ZINC001664624685 1355201370 /nfs/dbraw/zinc/20/13/70/1355201370.db2.gz GMUMQDIOTYNRDW-YRXWBPOGSA-N 2 2 329.488 2.114 10 30 EEEELP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2[C@H](C)CCC=C ZINC001664624685 1355201373 /nfs/dbraw/zinc/20/13/73/1355201373.db2.gz GMUMQDIOTYNRDW-YRXWBPOGSA-N 2 2 329.488 2.114 10 30 EEEELP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2[C@H](C)CCC=C ZINC001664624685 1355201377 /nfs/dbraw/zinc/20/13/77/1355201377.db2.gz GMUMQDIOTYNRDW-YRXWBPOGSA-N 2 2 329.488 2.114 10 30 EEEELP C#CCN(C(=O)Cc1[nH]cc[nH+]1)C1CC[NH+](CC2=CCCCC2)CC1 ZINC001671500423 1356351555 /nfs/dbraw/zinc/35/15/55/1356351555.db2.gz WPHTVDKVCGYNJY-UHFFFAOYSA-N 2 2 340.471 2.379 10 30 EEEELP CN(CC[N@H+](C)CC#Cc1ccc(Cl)cc1)C(=O)[C@H]1CCC[NH+]1C ZINC001698982919 1405199055 /nfs/dbraw/zinc/19/90/55/1405199055.db2.gz ALEYYGGDRPXKOD-GOSISDBHSA-N 2 2 347.890 2.176 10 30 EEEELP CN(CC[N@@H+](C)CC#Cc1ccc(Cl)cc1)C(=O)[C@H]1CCC[NH+]1C ZINC001698982919 1405199064 /nfs/dbraw/zinc/19/90/64/1405199064.db2.gz ALEYYGGDRPXKOD-GOSISDBHSA-N 2 2 347.890 2.176 10 30 EEEELP CN(CC[NH+](C)CC#Cc1ccc(Cl)cc1)C(=O)[C@H]1CCC[N@@H+]1C ZINC001698982919 1405199074 /nfs/dbraw/zinc/19/90/74/1405199074.db2.gz ALEYYGGDRPXKOD-GOSISDBHSA-N 2 2 347.890 2.176 10 30 EEEELP CN(CC[NH+](C)CC#Cc1ccc(Cl)cc1)C(=O)[C@H]1CCC[N@H+]1C ZINC001698982919 1405199082 /nfs/dbraw/zinc/19/90/82/1405199082.db2.gz ALEYYGGDRPXKOD-GOSISDBHSA-N 2 2 347.890 2.176 10 30 EEEELP C=CCC[C@H](C)[N@H+]1C[C@H]2CN(C(=O)[C@H]3CCc4[nH+]ccn4C3)C[C@H]2C1 ZINC001699989161 1405640880 /nfs/dbraw/zinc/64/08/80/1405640880.db2.gz GSMKQWSWZSGPRZ-XLAORIBOSA-N 2 2 342.487 2.190 10 30 EEEELP C=CCC[C@H](C)[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CCc4[nH+]ccn4C3)C[C@H]2C1 ZINC001699989161 1405640891 /nfs/dbraw/zinc/64/08/91/1405640891.db2.gz GSMKQWSWZSGPRZ-XLAORIBOSA-N 2 2 342.487 2.190 10 30 EEEELP C=CCC[C@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)CCc3c[nH]c[nH+]3)C[C@@H]2C1 ZINC001566045338 1125521979 /nfs/dbraw/zinc/52/19/79/1125521979.db2.gz YTCBGUFARAXAGB-BBWFWOEESA-N 2 2 330.476 2.477 10 30 EEEELP C=CCC[C@H](C)[N@H+]1CC[C@@H]2CN(C(=O)CCc3c[nH]c[nH+]3)C[C@@H]2C1 ZINC001566045338 1125521983 /nfs/dbraw/zinc/52/19/83/1125521983.db2.gz YTCBGUFARAXAGB-BBWFWOEESA-N 2 2 330.476 2.477 10 30 EEEELP C=CCC[C@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)CCc3c[nH+]c[nH]3)C[C@@H]2C1 ZINC001566045338 1125521990 /nfs/dbraw/zinc/52/19/90/1125521990.db2.gz YTCBGUFARAXAGB-BBWFWOEESA-N 2 2 330.476 2.477 10 30 EEEELP C=CCC[C@H](C)[N@H+]1CC[C@@H]2CN(C(=O)CCc3c[nH+]c[nH]3)C[C@@H]2C1 ZINC001566045338 1125521995 /nfs/dbraw/zinc/52/19/95/1125521995.db2.gz YTCBGUFARAXAGB-BBWFWOEESA-N 2 2 330.476 2.477 10 30 EEEELP C[C@@H](CN(C)C(=O)C[C@H](C)n1cc[nH+]c1)[NH2+]Cc1ccccc1C#N ZINC001448737289 1093808284 /nfs/dbraw/zinc/80/82/84/1093808284.db2.gz SBSRGFGRZCZZLA-HOTGVXAUSA-N 2 2 339.443 2.343 10 30 EEEELP C#CCC[NH+]1CCC(N(CCC)C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001479993613 1099458116 /nfs/dbraw/zinc/45/81/16/1099458116.db2.gz UUCQQFOGJAQNTQ-IAGOWNOFSA-N 2 2 328.460 2.240 10 30 EEEELP C#CCC[NH+]1CCC(N(CCC)C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001479993613 1099458119 /nfs/dbraw/zinc/45/81/19/1099458119.db2.gz UUCQQFOGJAQNTQ-IAGOWNOFSA-N 2 2 328.460 2.240 10 30 EEEELP C[C@H](C[NH2+]Cc1ccc(C#N)s1)N(C)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001444685094 1099533127 /nfs/dbraw/zinc/53/31/27/1099533127.db2.gz MMVUKHBFEZJBDO-ZIAGYGMSSA-N 2 2 345.472 2.404 10 30 EEEELP C=C(Cl)C[NH2+][C@@H](CNC(=O)Cc1cn2c([nH+]1)CCCC2)C(C)C ZINC001444869594 1099873105 /nfs/dbraw/zinc/87/31/05/1099873105.db2.gz SWSSBVYGPLTHDV-HNNXBMFYSA-N 2 2 338.883 2.245 10 30 EEEELP C[C@H]1C[C@@H](C(=O)N(C)CC[NH+](C)Cc2ccccc2C#N)CC[N@@H+]1C ZINC001496769645 1101435641 /nfs/dbraw/zinc/43/56/41/1101435641.db2.gz KLDVFNGYCULOIR-IRXDYDNUSA-N 2 2 342.487 2.179 10 30 EEEELP C[C@H]1C[C@@H](C(=O)N(C)CC[NH+](C)Cc2ccccc2C#N)CC[N@H+]1C ZINC001496769645 1101435647 /nfs/dbraw/zinc/43/56/47/1101435647.db2.gz KLDVFNGYCULOIR-IRXDYDNUSA-N 2 2 342.487 2.179 10 30 EEEELP C[C@H]1C[C@@H](C(=O)N(C)CC[N@H+](C)Cc2ccccc2C#N)CC[NH+]1C ZINC001496769645 1101435649 /nfs/dbraw/zinc/43/56/49/1101435649.db2.gz KLDVFNGYCULOIR-IRXDYDNUSA-N 2 2 342.487 2.179 10 30 EEEELP C[C@H]1C[C@@H](C(=O)N(C)CC[N@@H+](C)Cc2ccccc2C#N)CC[NH+]1C ZINC001496769645 1101435656 /nfs/dbraw/zinc/43/56/56/1101435656.db2.gz KLDVFNGYCULOIR-IRXDYDNUSA-N 2 2 342.487 2.179 10 30 EEEELP C[C@H](C[NH2+]Cc1ccc(C#N)cc1)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001497927083 1103350654 /nfs/dbraw/zinc/35/06/54/1103350654.db2.gz KUZZVDUVYNGPFN-CABCVRRESA-N 2 2 325.416 2.000 10 30 EEEELP C#CCN(C(=O)CCc1c[nH]c[nH+]1)C1CC[NH+](CCCC=C)CC1 ZINC001500039799 1112589003 /nfs/dbraw/zinc/58/90/03/1112589003.db2.gz XWTDZNTVWINLAU-UHFFFAOYSA-N 2 2 328.460 2.235 10 30 EEEELP C#CCN(C(=O)CCc1c[nH+]c[nH]1)C1CC[NH+](CCCC=C)CC1 ZINC001500039799 1112589006 /nfs/dbraw/zinc/58/90/06/1112589006.db2.gz XWTDZNTVWINLAU-UHFFFAOYSA-N 2 2 328.460 2.235 10 30 EEEELP C=CCCCCC[NH2+]C[C@H]1CCCCN1C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001501868058 1113504707 /nfs/dbraw/zinc/50/47/07/1113504707.db2.gz SPDGTQJJTOANSF-QZTJIDSGSA-N 2 2 337.508 2.034 10 30 EEEELP C=CCCCCC[NH2+]C[C@H]1CCCCN1C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001501868058 1113504709 /nfs/dbraw/zinc/50/47/09/1113504709.db2.gz SPDGTQJJTOANSF-QZTJIDSGSA-N 2 2 337.508 2.034 10 30 EEEELP C=CCC[NH2+]C1(C)CCN(C(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)CC1 ZINC001502793468 1113801595 /nfs/dbraw/zinc/80/15/95/1113801595.db2.gz JVIWCSXMRMXAKX-SFHVURJKSA-N 2 2 349.519 2.177 10 30 EEEELP C=CCC[NH2+]C1(C)CCN(C(=O)[C@@H]2COCC[N@H+]2C2CCCC2)CC1 ZINC001502793468 1113801602 /nfs/dbraw/zinc/80/16/02/1113801602.db2.gz JVIWCSXMRMXAKX-SFHVURJKSA-N 2 2 349.519 2.177 10 30 EEEELP CC(C)[N@H+](C)CC(=O)N[C@H]1CCC[NH+](Cc2ccc(C#N)s2)[C@@H]1C ZINC001507384293 1115243313 /nfs/dbraw/zinc/24/33/13/1115243313.db2.gz DVZIUFCTYJNSMK-PBHICJAKSA-N 2 2 348.516 2.429 10 30 EEEELP CC(C)[N@@H+](C)CC(=O)N[C@H]1CCC[NH+](Cc2ccc(C#N)s2)[C@@H]1C ZINC001507384293 1115243315 /nfs/dbraw/zinc/24/33/15/1115243315.db2.gz DVZIUFCTYJNSMK-PBHICJAKSA-N 2 2 348.516 2.429 10 30 EEEELP CC(C)[NH+](C)CC(=O)N[C@H]1CCC[N@H+](Cc2ccc(C#N)s2)[C@@H]1C ZINC001507384293 1115243316 /nfs/dbraw/zinc/24/33/16/1115243316.db2.gz DVZIUFCTYJNSMK-PBHICJAKSA-N 2 2 348.516 2.429 10 30 EEEELP CC(C)[NH+](C)CC(=O)N[C@H]1CCC[N@@H+](Cc2ccc(C#N)s2)[C@@H]1C ZINC001507384293 1115243318 /nfs/dbraw/zinc/24/33/18/1115243318.db2.gz DVZIUFCTYJNSMK-PBHICJAKSA-N 2 2 348.516 2.429 10 30 EEEELP CC#CC[N@H+]1CC[C@H](N(CC)C(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001567938546 1124193730 /nfs/dbraw/zinc/19/37/30/1124193730.db2.gz HPIXVDIXBILNAE-ROUUACIJSA-N 2 2 330.476 2.416 10 30 EEEELP CC#CC[N@@H+]1CC[C@H](N(CC)C(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001567938546 1124193732 /nfs/dbraw/zinc/19/37/32/1124193732.db2.gz HPIXVDIXBILNAE-ROUUACIJSA-N 2 2 330.476 2.416 10 30 EEEELP C=C(C)C[N@@H+](C)CCC1CCN(C(=O)CCc2c[nH+]cn2C)CC1 ZINC001568441367 1124511782 /nfs/dbraw/zinc/51/17/82/1124511782.db2.gz YDSZTKLVEZSPAZ-UHFFFAOYSA-N 2 2 332.492 2.489 10 30 EEEELP C=C(C)C[N@H+](C)CCC1CCN(C(=O)CCc2c[nH+]cn2C)CC1 ZINC001568441367 1124511790 /nfs/dbraw/zinc/51/17/90/1124511790.db2.gz YDSZTKLVEZSPAZ-UHFFFAOYSA-N 2 2 332.492 2.489 10 30 EEEELP C[C@H](CC[NH2+]CC#Cc1ccc(Cl)cc1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001568682572 1124694563 /nfs/dbraw/zinc/69/45/63/1124694563.db2.gz NFHBOSOAEYTYSY-CQSZACIVSA-N 2 2 344.846 2.142 10 30 EEEELP N#Cc1ccccc1N1CC[NH+](Cc2ccnn2-c2cc[nH+]cc2)CC1 ZINC000596982425 468407560 /nfs/dbraw/zinc/40/75/60/468407560.db2.gz AOXYQVKFWTXVAT-UHFFFAOYSA-N 2 2 344.422 2.461 10 30 EEEELP C[N@@H+]1CC[C@]2(CC[NH+]([C@H]3CCCN(c4ccc(C#N)cc4)C3=O)C2)C1 ZINC000366530805 465786080 /nfs/dbraw/zinc/78/60/80/465786080.db2.gz QEAMYMWGMLGXAF-ICSRJNTNSA-N 2 2 338.455 2.081 10 30 EEEELP C[N@H+]1CC[C@]2(CC[NH+]([C@H]3CCCN(c4ccc(C#N)cc4)C3=O)C2)C1 ZINC000366530805 465786091 /nfs/dbraw/zinc/78/60/91/465786091.db2.gz QEAMYMWGMLGXAF-ICSRJNTNSA-N 2 2 338.455 2.081 10 30 EEEELP C[NH+]1CC[C@]2(CC[N@@H+]([C@H]3CCCN(c4ccc(C#N)cc4)C3=O)C2)C1 ZINC000366530805 465786098 /nfs/dbraw/zinc/78/60/98/465786098.db2.gz QEAMYMWGMLGXAF-ICSRJNTNSA-N 2 2 338.455 2.081 10 30 EEEELP C[NH+]1CC[C@]2(CC[N@H+]([C@H]3CCCN(c4ccc(C#N)cc4)C3=O)C2)C1 ZINC000366530805 465786108 /nfs/dbraw/zinc/78/61/08/465786108.db2.gz QEAMYMWGMLGXAF-ICSRJNTNSA-N 2 2 338.455 2.081 10 30 EEEELP N#Cc1ccccc1OC[C@@H](O)C[NH2+]C[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000600748791 468647234 /nfs/dbraw/zinc/64/72/34/468647234.db2.gz DRYOYZFTUXXDSN-MOPGFXCFSA-N 2 2 343.471 2.295 10 30 EEEELP N#Cc1ccccc1OC[C@@H](O)C[NH2+]C[C@H]1CC[N@H+]1C1CCCCC1 ZINC000600748791 468647236 /nfs/dbraw/zinc/64/72/36/468647236.db2.gz DRYOYZFTUXXDSN-MOPGFXCFSA-N 2 2 343.471 2.295 10 30 EEEELP C=CC[NH+]1CCC(NC(=O)C[C@@H](n2cc[nH+]c2)C(F)(F)F)CC1 ZINC000635530886 470636999 /nfs/dbraw/zinc/63/69/99/470636999.db2.gz MGJNFNWPLRYJJH-CYBMUJFWSA-N 2 2 330.354 2.143 10 30 EEEELP C#CCN(C(=O)Cc1[nH]cc[nH+]1)C1CC[NH+](CC2CCCC2)CC1 ZINC001671499870 1176850121 /nfs/dbraw/zinc/85/01/21/1176850121.db2.gz LRXMVGACROZTOC-UHFFFAOYSA-N 2 2 328.460 2.069 10 30 EEEELP C#CCC[N@H+]1CCC[C@H]([C@H](C)NC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001266889466 1177718326 /nfs/dbraw/zinc/71/83/26/1177718326.db2.gz DOZHBJRFXUTPSV-IRXDYDNUSA-N 2 2 342.487 2.002 10 30 EEEELP C#CCC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001266889466 1177718329 /nfs/dbraw/zinc/71/83/29/1177718329.db2.gz DOZHBJRFXUTPSV-IRXDYDNUSA-N 2 2 342.487 2.002 10 30 EEEELP C=C(C)C[N@@H+]1CCC[C@@H]1CCCNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001267168303 1178384254 /nfs/dbraw/zinc/38/42/54/1178384254.db2.gz ACAYWQMETJFZDZ-IRXDYDNUSA-N 2 2 330.476 2.382 10 30 EEEELP C=C(C)C[N@H+]1CCC[C@@H]1CCCNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001267168303 1178384263 /nfs/dbraw/zinc/38/42/63/1178384263.db2.gz ACAYWQMETJFZDZ-IRXDYDNUSA-N 2 2 330.476 2.382 10 30 EEEELP C=CCC[C@@H](C)[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001691450032 1178843613 /nfs/dbraw/zinc/84/36/13/1178843613.db2.gz FPYBWTKWAOXAJU-NCOADZHNSA-N 2 2 330.476 2.285 10 30 EEEELP C#CC[NH2+][C@H](CNC(=O)C[N@H+](C)Cc1ccccc1)c1ccccc1 ZINC001481374470 1181154219 /nfs/dbraw/zinc/15/42/19/1181154219.db2.gz PWATXKZGLUSAOU-HXUWFJFHSA-N 2 2 335.451 2.199 10 30 EEEELP C=CCC[NH2+]Cc1ccc(CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)cc1 ZINC001270065467 1184823540 /nfs/dbraw/zinc/82/35/40/1184823540.db2.gz OCWPCSCRAHFEDG-GOSISDBHSA-N 2 2 338.455 2.428 10 30 EEEELP C=CCCC[NH+]1CCC(C)(NC(=O)[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC001270237470 1184948523 /nfs/dbraw/zinc/94/85/23/1184948523.db2.gz RQAJGIACYQVPLP-INIZCTEOSA-N 2 2 330.476 2.382 10 30 EEEELP C#CCC[NH2+][C@@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C[C@H]1C ZINC001271416542 1186203518 /nfs/dbraw/zinc/20/35/18/1186203518.db2.gz LVPDDHWMPXBXAF-VQIMIIECSA-N 2 2 336.439 2.336 10 30 EEEELP C[C@H](CC[NH2+]Cc1cc(C#N)ccc1F)NC(=O)CCc1c[nH]c[nH+]1 ZINC001272824513 1193563590 /nfs/dbraw/zinc/56/35/90/1193563590.db2.gz YUAFMNBZNQPMES-CYBMUJFWSA-N 2 2 343.406 2.038 10 30 EEEELP C[C@H](CC[NH2+]Cc1cc(C#N)ccc1F)NC(=O)CCc1c[nH+]c[nH]1 ZINC001272824513 1193563592 /nfs/dbraw/zinc/56/35/92/1193563592.db2.gz YUAFMNBZNQPMES-CYBMUJFWSA-N 2 2 343.406 2.038 10 30 EEEELP CC(C)(C)[C@H](C[NH2+]CC#Cc1ccccc1)NC(=O)Cn1cc[nH+]c1 ZINC001486423910 1193937976 /nfs/dbraw/zinc/93/79/76/1193937976.db2.gz XEUXEBZJPXINIM-SFHVURJKSA-N 2 2 338.455 2.055 10 30 EEEELP N#Cc1ccc(CONC(=[NH2+])[C@H]2C[N@H+](Cc3ccccc3)CCO2)o1 ZINC000871740050 1197867584 /nfs/dbraw/zinc/86/75/84/1197867584.db2.gz HKAKSEWGDWVPAT-QGZVFWFLSA-N 2 2 340.383 2.051 10 30 EEEELP N#Cc1ccc(CONC(=[NH2+])[C@H]2C[N@@H+](Cc3ccccc3)CCO2)o1 ZINC000871740050 1197867589 /nfs/dbraw/zinc/86/75/89/1197867589.db2.gz HKAKSEWGDWVPAT-QGZVFWFLSA-N 2 2 340.383 2.051 10 30 EEEELP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)c1cccc(C#N)c1O ZINC000866307197 1201489535 /nfs/dbraw/zinc/48/95/35/1201489535.db2.gz UJRWTYMBDQSHGF-KKXDTOCCSA-N 2 2 329.444 2.292 10 30 EEEELP C=C(Cl)C[NH2+]C[C@H]1CCCN(C(=O)Cc2c[nH+]ccc2OC)C1 ZINC001491159277 1258734972 /nfs/dbraw/zinc/73/49/72/1258734972.db2.gz ABHIWAXRDJQNAC-CQSZACIVSA-N 2 2 337.851 2.213 10 30 EEEELP C=CCCC[N@H+]1C[C@@]2(C)CN(C(=O)Cc3[nH]c[nH+]c3C)C[C@@]2(C)C1 ZINC001282996369 1325873661 /nfs/dbraw/zinc/87/36/61/1325873661.db2.gz MASTVMAINOJKSP-KDURUIRLSA-N 2 2 330.476 2.397 10 30 EEEELP C=CCCC[N@@H+]1C[C@@]2(C)CN(C(=O)Cc3[nH]c[nH+]c3C)C[C@@]2(C)C1 ZINC001282996369 1325873665 /nfs/dbraw/zinc/87/36/65/1325873665.db2.gz MASTVMAINOJKSP-KDURUIRLSA-N 2 2 330.476 2.397 10 30 EEEELP C=CCC[C@H](C)[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001316633573 1326626072 /nfs/dbraw/zinc/62/60/72/1326626072.db2.gz NWEIHHNRJZSIQV-NXOAAHMSSA-N 2 2 330.476 2.285 10 30 EEEELP C=CCC[C@@H](C)[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001316633585 1326626852 /nfs/dbraw/zinc/62/68/52/1326626852.db2.gz NWEIHHNRJZSIQV-QBPKDAKJSA-N 2 2 330.476 2.285 10 30 EEEELP C=CCC[C@@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH+]cn3C)C[C@@H]2C1 ZINC001316758886 1331875965 /nfs/dbraw/zinc/87/59/65/1331875965.db2.gz PQUZOQFWQXNMJT-ZACQAIPSSA-N 2 2 330.476 2.098 10 30 EEEELP C=CCC[C@@H](C)[N@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH+]cn3C)C[C@@H]2C1 ZINC001316758886 1331875972 /nfs/dbraw/zinc/87/59/72/1331875972.db2.gz PQUZOQFWQXNMJT-ZACQAIPSSA-N 2 2 330.476 2.098 10 30 EEEELP C=CCC[NH2+][C@H]1CCCCCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001316774965 1331886734 /nfs/dbraw/zinc/88/67/34/1331886734.db2.gz XRQFRGABWWJDMZ-SJORKVTESA-N 2 2 330.476 2.382 10 30 EEEELP C[C@@H](CCNC(=O)Cc1[nH]cc[nH+]1)[NH2+]CC#Cc1ccc(Cl)cc1 ZINC001317409667 1332217474 /nfs/dbraw/zinc/21/74/74/1332217474.db2.gz SNHQDIPVKRZBBS-AWEZNQCLSA-N 2 2 344.846 2.142 10 30 EEEELP C[C@H](C[N@H+](C)CC#Cc1cccc(Cl)c1)NC(=O)Cn1cc[nH+]c1 ZINC001322306060 1333244211 /nfs/dbraw/zinc/24/42/11/1333244211.db2.gz HGVMIIUAEGEPJR-OAHLLOKOSA-N 2 2 344.846 2.025 10 30 EEEELP C[C@H](C[N@@H+](C)CC#Cc1cccc(Cl)c1)NC(=O)Cn1cc[nH+]c1 ZINC001322306060 1333244214 /nfs/dbraw/zinc/24/42/14/1333244214.db2.gz HGVMIIUAEGEPJR-OAHLLOKOSA-N 2 2 344.846 2.025 10 30 EEEELP C=CC[N@@H+]1CCC[C@](C)(CNC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001324935349 1333790659 /nfs/dbraw/zinc/79/06/59/1333790659.db2.gz CYNSZWCVYHZUCY-LJQANCHMSA-N 2 2 330.476 2.166 10 30 EEEELP C=CCC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)Cc1[nH]c[nH+]c1C ZINC001327512917 1334306451 /nfs/dbraw/zinc/30/64/51/1334306451.db2.gz NOLTVCZQDFCZQS-GOSISDBHSA-N 2 2 338.455 2.380 10 30 EEEELP C=CCC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)Cc1[nH]c[nH+]c1C ZINC001327512917 1334306453 /nfs/dbraw/zinc/30/64/53/1334306453.db2.gz NOLTVCZQDFCZQS-GOSISDBHSA-N 2 2 338.455 2.380 10 30 EEEELP C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1(C)C ZINC001507438865 1342320668 /nfs/dbraw/zinc/32/06/68/1342320668.db2.gz CUJOQTMDGRTWFH-NVXWUHKLSA-N 2 2 330.476 2.238 10 30 EEEELP C=CCC[C@H](C)[NH2+]C1(CNC(=O)[C@H]2COCC[N@@H+]2C2CCCC2)CC1 ZINC001569415126 1342867442 /nfs/dbraw/zinc/86/74/42/1342867442.db2.gz YGPQSZZDEHTJET-FUHWJXTLSA-N 2 2 349.519 2.223 10 30 EEEELP C=CCC[C@H](C)[NH2+]C1(CNC(=O)[C@H]2COCC[N@H+]2C2CCCC2)CC1 ZINC001569415126 1342867447 /nfs/dbraw/zinc/86/74/47/1342867447.db2.gz YGPQSZZDEHTJET-FUHWJXTLSA-N 2 2 349.519 2.223 10 30 EEEELP C=CCC[NH2+][C@H](CCN(C)C(=O)[C@H]1CCn2c[nH+]cc2C1)C(C)C ZINC001570777519 1343114561 /nfs/dbraw/zinc/11/45/61/1343114561.db2.gz RJJZPMMPCHNXHF-FUHWJXTLSA-N 2 2 332.492 2.484 10 30 EEEELP C=CCC[NH2+][C@@H](C)C1CCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC001664443431 1355166186 /nfs/dbraw/zinc/16/61/86/1355166186.db2.gz VHSOYMKWGHDVDE-RDJZCZTQSA-N 2 2 330.476 2.238 10 30 EEEELP C#CCN(C(=O)[C@H](C)Cc1c[nH]c[nH+]1)C1CC[NH+](CC(C)C)CC1 ZINC001671497498 1356350708 /nfs/dbraw/zinc/35/07/08/1356350708.db2.gz SVUMFXUUJRNVOY-MRXNPFEDSA-N 2 2 330.476 2.171 10 30 EEEELP C#CCN(C(=O)[C@H](C)Cc1c[nH+]c[nH]1)C1CC[NH+](CC(C)C)CC1 ZINC001671497498 1356350710 /nfs/dbraw/zinc/35/07/10/1356350710.db2.gz SVUMFXUUJRNVOY-MRXNPFEDSA-N 2 2 330.476 2.171 10 30 EEEELP C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)C(C)(C)C1 ZINC000940847331 779409597 /nfs/dbraw/zinc/40/95/97/779409597.db2.gz VLAVDNJGAVFMGU-RDJZCZTQSA-N 2 2 330.476 2.238 10 30 EEEELP C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)C(C)(C)C1 ZINC000940847331 779409601 /nfs/dbraw/zinc/40/96/01/779409601.db2.gz VLAVDNJGAVFMGU-RDJZCZTQSA-N 2 2 330.476 2.238 10 30 EEEELP C=C(Cl)C[NH2+]C[C@@](C)(NC(=O)[C@H]1CCc2c[nH+]cn2C1)C1CC1 ZINC001444129242 1098666463 /nfs/dbraw/zinc/66/64/63/1098666463.db2.gz KRKSYEKIIIJULZ-SUMWQHHRSA-N 2 2 336.867 2.073 10 30 EEEELP CCC[N@H+](C)CC(=O)N[C@H]1CCC[NH+](CC#Cc2ccc(F)cc2)C1 ZINC001479913642 1099316297 /nfs/dbraw/zinc/31/62/97/1099316297.db2.gz NKJPWEYIHGEHOD-IBGZPJMESA-N 2 2 345.462 2.100 10 30 EEEELP CCC[N@@H+](C)CC(=O)N[C@H]1CCC[NH+](CC#Cc2ccc(F)cc2)C1 ZINC001479913642 1099316309 /nfs/dbraw/zinc/31/63/09/1099316309.db2.gz NKJPWEYIHGEHOD-IBGZPJMESA-N 2 2 345.462 2.100 10 30 EEEELP CCC[NH+](C)CC(=O)N[C@H]1CCC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC001479913642 1099316323 /nfs/dbraw/zinc/31/63/23/1099316323.db2.gz NKJPWEYIHGEHOD-IBGZPJMESA-N 2 2 345.462 2.100 10 30 EEEELP CCC[NH+](C)CC(=O)N[C@H]1CCC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC001479913642 1099316334 /nfs/dbraw/zinc/31/63/34/1099316334.db2.gz NKJPWEYIHGEHOD-IBGZPJMESA-N 2 2 345.462 2.100 10 30 EEEELP C=C(Cl)C[N@H+]1C[C@@H]2CCCN(C(=O)[C@@H](F)C[NH+](CC)CC)[C@@H]2C1 ZINC001447036586 1101803797 /nfs/dbraw/zinc/80/37/97/1101803797.db2.gz TYEIHMHGVQKNOQ-HRCADAONSA-N 2 2 345.890 2.342 10 30 EEEELP C=C(Cl)C[N@@H+]1C[C@@H]2CCCN(C(=O)[C@@H](F)C[NH+](CC)CC)[C@@H]2C1 ZINC001447036586 1101803821 /nfs/dbraw/zinc/80/38/21/1101803821.db2.gz TYEIHMHGVQKNOQ-HRCADAONSA-N 2 2 345.890 2.342 10 30 EEEELP CC[C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)[NH2+]Cc1cccc(C#N)c1 ZINC001494999827 1104641111 /nfs/dbraw/zinc/64/11/11/1104641111.db2.gz KRLKTFFCSJHFPH-GVDBMIGSSA-N 2 2 337.427 2.069 10 30 EEEELP CC[C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)[NH2+]Cc1cccc(C#N)c1 ZINC001494999827 1104641121 /nfs/dbraw/zinc/64/11/21/1104641121.db2.gz KRLKTFFCSJHFPH-GVDBMIGSSA-N 2 2 337.427 2.069 10 30 EEEELP C=CC[NH2+][C@@H](C)[C@H]1CCN(C(=O)Cc2cn3cccc(C)c3[nH+]2)C1 ZINC001501075172 1113189669 /nfs/dbraw/zinc/18/96/69/1113189669.db2.gz DMPXUAXQXCDTON-HOTGVXAUSA-N 2 2 326.444 2.198 10 30 EEEELP C#CCC[NH2+]C1(C)CCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC001502789646 1113800575 /nfs/dbraw/zinc/80/05/75/1113800575.db2.gz DHDBLVVDGIQRCX-UHFFFAOYSA-N 2 2 336.439 2.480 10 30 EEEELP C=CCCC[N@H+]1CCC[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)[C@H]1C ZINC001507377024 1115235996 /nfs/dbraw/zinc/23/59/96/1115235996.db2.gz RNOGHJXZGNCGTB-GDBMZVCRSA-N 2 2 334.464 2.285 10 30 EEEELP C=CCCC[N@@H+]1CCC[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)[C@H]1C ZINC001507377024 1115235998 /nfs/dbraw/zinc/23/59/98/1115235998.db2.gz RNOGHJXZGNCGTB-GDBMZVCRSA-N 2 2 334.464 2.285 10 30 EEEELP CC#CC[NH2+]C[C@@H]1CC[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001507410249 1115255596 /nfs/dbraw/zinc/25/55/96/1115255596.db2.gz PSUWUYIYMDBEQF-AEFFLSMTSA-N 2 2 336.439 2.384 10 30 EEEELP C=C(C)CC[NH2+]C[C@@](C)(NC(=O)[C@H]1CCc2[nH+]ccn2C1)C1CC1 ZINC001568023605 1124235583 /nfs/dbraw/zinc/23/55/83/1124235583.db2.gz VLXYPGHLMFDSAQ-HNAYVOBHSA-N 2 2 330.476 2.286 10 30 EEEELP C[C@@H](C[NH2+]CC#Cc1cccc(Cl)c1)NC(=O)CCn1cc[nH+]c1 ZINC001569071913 1125079274 /nfs/dbraw/zinc/07/92/74/1125079274.db2.gz FHELAFPTXBLBCE-HNNXBMFYSA-N 2 2 344.846 2.073 10 30 EEEELP N#Cc1ccccc1CSCC[NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000422985411 274928354 /nfs/dbraw/zinc/92/83/54/274928354.db2.gz DQVHWWIBQLVYTE-ROUUACIJSA-N 2 2 331.485 2.148 10 30 EEEELP Cc1cc(C#N)ccc1C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000370815279 467013313 /nfs/dbraw/zinc/01/33/13/467013313.db2.gz WEBFZCLNCHRHJN-SFHVURJKSA-N 2 2 340.471 2.107 10 30 EEEELP Cc1cc(C#N)ccc1C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000370815279 467013316 /nfs/dbraw/zinc/01/33/16/467013316.db2.gz WEBFZCLNCHRHJN-SFHVURJKSA-N 2 2 340.471 2.107 10 30 EEEELP C[C@H](CC#N)C(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000597438156 468555774 /nfs/dbraw/zinc/55/57/74/468555774.db2.gz QPCVSPDVAGUHJY-NXHRZFHOSA-N 2 2 334.508 2.332 10 30 EEEELP C[C@H](CC#N)C(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000597438156 468555778 /nfs/dbraw/zinc/55/57/78/468555778.db2.gz QPCVSPDVAGUHJY-NXHRZFHOSA-N 2 2 334.508 2.332 10 30 EEEELP CN(Cc1[nH+]ccn1Cc1ccccc1)C(=O)[C@H]([NH3+])CCCCC#N ZINC000594438290 468586552 /nfs/dbraw/zinc/58/65/52/468586552.db2.gz NSBCSHYJYKVCCY-QGZVFWFLSA-N 2 2 339.443 2.301 10 30 EEEELP Cn1cc[nH+]c1[C@@H](NC(=O)[C@@H]([NH3+])CCCCC#N)c1ccc(F)cc1 ZINC000594440599 468589279 /nfs/dbraw/zinc/58/92/79/468589279.db2.gz GWZJNTYNGJNCFK-HOTGVXAUSA-N 2 2 343.406 2.176 10 30 EEEELP CC#CC[NH2+]CCc1ccc(CNC(=O)C[C@@H](C)n2cc[nH+]c2)cc1 ZINC001267097713 1178233150 /nfs/dbraw/zinc/23/31/50/1178233150.db2.gz NWQJUKNTQVSYBJ-QGZVFWFLSA-N 2 2 338.455 2.306 10 30 EEEELP C=C(Cl)C[N@@H+](CCCNC(=O)[C@H]1CCn2cc[nH+]c2C1)C(C)C ZINC001267503639 1179199548 /nfs/dbraw/zinc/19/95/48/1179199548.db2.gz JOIPOWCJWNVKPW-HNNXBMFYSA-N 2 2 338.883 2.415 10 30 EEEELP C=C(Cl)C[N@H+](CCCNC(=O)[C@H]1CCn2cc[nH+]c2C1)C(C)C ZINC001267503639 1179199553 /nfs/dbraw/zinc/19/95/53/1179199553.db2.gz JOIPOWCJWNVKPW-HNNXBMFYSA-N 2 2 338.883 2.415 10 30 EEEELP CC#CC[NH2+][C@H](CNC(=O)Cn1cc[nH+]c1)c1ccc(C(C)C)cc1 ZINC001267517234 1179239931 /nfs/dbraw/zinc/23/99/31/1179239931.db2.gz KBHICYYRGLTRHL-LJQANCHMSA-N 2 2 338.455 2.477 10 30 EEEELP C=C(C)C[N@H+](C)CC1CCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC001481515869 1181620270 /nfs/dbraw/zinc/62/02/70/1181620270.db2.gz GBJNLGAMWVPIMH-KRWDZBQOSA-N 2 2 330.476 2.192 10 30 EEEELP C=C(C)C[N@@H+](C)CC1CCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC001481515869 1181620282 /nfs/dbraw/zinc/62/02/82/1181620282.db2.gz GBJNLGAMWVPIMH-KRWDZBQOSA-N 2 2 330.476 2.192 10 30 EEEELP C=CCC[C@@H](C)[NH2+]C1(CNC(=O)c2cc([C@H]3CCC[N@@H+]3C)n[nH]2)CC1 ZINC001269416005 1184251879 /nfs/dbraw/zinc/25/18/79/1184251879.db2.gz NWVNOZRRQGRTCP-RHSMWYFYSA-N 2 2 345.491 2.383 10 30 EEEELP C=CCC[C@@H](C)[NH2+]C1(CNC(=O)c2cc([C@H]3CCC[N@H+]3C)n[nH]2)CC1 ZINC001269416005 1184251884 /nfs/dbraw/zinc/25/18/84/1184251884.db2.gz NWVNOZRRQGRTCP-RHSMWYFYSA-N 2 2 345.491 2.383 10 30 EEEELP C=C(C)C[NH2+]C[C@@](C)(NC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1)C1CC1 ZINC001269620074 1184444521 /nfs/dbraw/zinc/44/45/21/1184444521.db2.gz YDMLCIIWKDZMJE-PKOBYXMFSA-N 2 2 345.491 2.241 10 30 EEEELP C=C(C)C[NH2+]C[C@@](C)(NC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1)C1CC1 ZINC001269620074 1184444527 /nfs/dbraw/zinc/44/45/27/1184444527.db2.gz YDMLCIIWKDZMJE-PKOBYXMFSA-N 2 2 345.491 2.241 10 30 EEEELP C#CCN(C(=O)[C@@H](C)Cc1c[nH]c[nH+]1)C1CC[NH+](CCC(=C)C)CC1 ZINC001270351213 1185039122 /nfs/dbraw/zinc/03/91/22/1185039122.db2.gz KXAOOBGRXUXKTK-KRWDZBQOSA-N 2 2 342.487 2.481 10 30 EEEELP C#CCN(C(=O)[C@@H](C)Cc1c[nH+]c[nH]1)C1CC[NH+](CCC(=C)C)CC1 ZINC001270351213 1185039129 /nfs/dbraw/zinc/03/91/29/1185039129.db2.gz KXAOOBGRXUXKTK-KRWDZBQOSA-N 2 2 342.487 2.481 10 30 EEEELP C=C(Cl)C[NH2+]CC[C@H]1CCCCN1C(=O)CCc1c[nH+]cn1C ZINC001482460878 1185925579 /nfs/dbraw/zinc/92/55/79/1185925579.db2.gz FGHPLKXTVUTVJL-OAHLLOKOSA-N 2 2 338.883 2.466 10 30 EEEELP C#CC[N@@H+](CCNC(=O)CCCn1cc[nH+]c1)C1CCCCCC1 ZINC001670980118 1193538158 /nfs/dbraw/zinc/53/81/58/1193538158.db2.gz HUSNDKOPIJWSNA-UHFFFAOYSA-N 2 2 330.476 2.438 10 30 EEEELP C#CC[N@H+](CCNC(=O)CCCn1cc[nH+]c1)C1CCCCCC1 ZINC001670980118 1193538159 /nfs/dbraw/zinc/53/81/59/1193538159.db2.gz HUSNDKOPIJWSNA-UHFFFAOYSA-N 2 2 330.476 2.438 10 30 EEEELP CC#CC[N@H+](CC1CC1)C1CCN(C(=O)CCc2c[nH+]cn2C)CC1 ZINC001670988908 1193539569 /nfs/dbraw/zinc/53/95/69/1193539569.db2.gz AEHIBXBDXSOSOJ-UHFFFAOYSA-N 2 2 342.487 2.079 10 30 EEEELP CC#CC[N@@H+](CC1CC1)C1CCN(C(=O)CCc2c[nH+]cn2C)CC1 ZINC001670988908 1193539571 /nfs/dbraw/zinc/53/95/71/1193539571.db2.gz AEHIBXBDXSOSOJ-UHFFFAOYSA-N 2 2 342.487 2.079 10 30 EEEELP C[C@@H](C[N@H+](C)CC#Cc1ccccc1)NC(=O)CCCn1cc[nH+]c1 ZINC001483427446 1190474921 /nfs/dbraw/zinc/47/49/21/1190474921.db2.gz MVAGAODYVJHZEV-SFHVURJKSA-N 2 2 338.455 2.152 10 30 EEEELP C[C@@H](C[N@@H+](C)CC#Cc1ccccc1)NC(=O)CCCn1cc[nH+]c1 ZINC001483427446 1190474923 /nfs/dbraw/zinc/47/49/23/1190474923.db2.gz MVAGAODYVJHZEV-SFHVURJKSA-N 2 2 338.455 2.152 10 30 EEEELP C#CCN(C(=O)Cn1cc[nH+]c1)C1CC[NH+](C[C@@H](C)CC(C)C)CC1 ZINC001483992934 1191146923 /nfs/dbraw/zinc/14/69/23/1191146923.db2.gz RQDFXDPKHDCTHT-SFHVURJKSA-N 2 2 344.503 2.492 10 30 EEEELP C#CC[NH2+][C@H](C)c1ccc(CNC(=O)[C@H]2CCn3cc[nH+]c3C2)cc1 ZINC001272693032 1191588582 /nfs/dbraw/zinc/58/85/82/1191588582.db2.gz ZTNRCHBHAXYFIX-QAPCUYQASA-N 2 2 336.439 2.046 10 30 EEEELP CC(C)N(CC[N@H+](C)Cc1ccc(C#N)cc1)C(=O)Cc1c[nH+]c[nH]1 ZINC001411193082 1198886345 /nfs/dbraw/zinc/88/63/45/1198886345.db2.gz BYPBVPFZDHIVDZ-UHFFFAOYSA-N 2 2 339.443 2.193 10 30 EEEELP CC(C)N(CC[N@@H+](C)Cc1ccc(C#N)cc1)C(=O)Cc1c[nH+]c[nH]1 ZINC001411193082 1198886349 /nfs/dbraw/zinc/88/63/49/1198886349.db2.gz BYPBVPFZDHIVDZ-UHFFFAOYSA-N 2 2 339.443 2.193 10 30 EEEELP C=CC[C@H](C(=O)OC)[NH+]1CC[C@@H](Oc2ccnc(C[N@@H+](C)CC)c2)C1 ZINC000879019064 1200808458 /nfs/dbraw/zinc/80/84/58/1200808458.db2.gz NJLRIKBVZANKQO-QZTJIDSGSA-N 2 2 347.459 2.104 10 30 EEEELP C=CC[C@H](C(=O)OC)[NH+]1CC[C@@H](Oc2ccnc(C[N@H+](C)CC)c2)C1 ZINC000879019064 1200808460 /nfs/dbraw/zinc/80/84/60/1200808460.db2.gz NJLRIKBVZANKQO-QZTJIDSGSA-N 2 2 347.459 2.104 10 30 EEEELP C=CC[C@H](C(=O)OC)[N@@H+]1CC[C@@H](Oc2ccnc(C[NH+](C)CC)c2)C1 ZINC000879019064 1200808465 /nfs/dbraw/zinc/80/84/65/1200808465.db2.gz NJLRIKBVZANKQO-QZTJIDSGSA-N 2 2 347.459 2.104 10 30 EEEELP C=CC[C@H](C(=O)OC)[N@H+]1CC[C@@H](Oc2ccnc(C[NH+](C)CC)c2)C1 ZINC000879019064 1200808470 /nfs/dbraw/zinc/80/84/70/1200808470.db2.gz NJLRIKBVZANKQO-QZTJIDSGSA-N 2 2 347.459 2.104 10 30 EEEELP C#CCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001491212952 1258787834 /nfs/dbraw/zinc/78/78/34/1258787834.db2.gz FNABZMMUPOLITB-MSOLQXFVSA-N 2 2 330.476 2.464 10 30 EEEELP C#CCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001491212952 1258787838 /nfs/dbraw/zinc/78/78/38/1258787838.db2.gz FNABZMMUPOLITB-MSOLQXFVSA-N 2 2 330.476 2.464 10 30 EEEELP C#CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H](CC(C)C)n3cc[nH+]c3)C[C@@H]2C1 ZINC001489193725 1290436069 /nfs/dbraw/zinc/43/60/69/1290436069.db2.gz OPEMJKVMPZPDBH-QYZOEREBSA-N 2 2 342.487 2.274 10 30 EEEELP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](CC(C)C)n3cc[nH+]c3)C[C@@H]2C1 ZINC001489193725 1290436072 /nfs/dbraw/zinc/43/60/72/1290436072.db2.gz OPEMJKVMPZPDBH-QYZOEREBSA-N 2 2 342.487 2.274 10 30 EEEELP C=CC[NH2+]CC[C@@H]1[C@@H](C)CCCN1C(=O)Cc1c[nH+]ccc1OC ZINC001264514607 1322719563 /nfs/dbraw/zinc/71/95/63/1322719563.db2.gz COQPFGWMAKWRCT-DOTOQJQBSA-N 2 2 331.460 2.426 10 30 EEEELP C[C@H](CCNC(=O)CCCn1cc[nH+]c1)[NH2+]CC#Cc1ccccc1 ZINC001492133022 1331065042 /nfs/dbraw/zinc/06/50/42/1331065042.db2.gz NTACYURDCVLVAQ-GOSISDBHSA-N 2 2 338.455 2.199 10 30 EEEELP C=C(C)C[N@H+](CCO)[C@@H]1CCCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001316751202 1331872249 /nfs/dbraw/zinc/87/22/49/1331872249.db2.gz ZHGLONWUASGDKI-MRXNPFEDSA-N 2 2 342.443 2.038 10 30 EEEELP C=C(C)C[N@@H+](CCO)[C@@H]1CCCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001316751202 1331872255 /nfs/dbraw/zinc/87/22/55/1331872255.db2.gz ZHGLONWUASGDKI-MRXNPFEDSA-N 2 2 342.443 2.038 10 30 EEEELP C=CCC[N@@H+]1CCCC[C@H]1CNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001317171926 1332112280 /nfs/dbraw/zinc/11/22/80/1332112280.db2.gz FMBJXTPACGUOIT-KRWDZBQOSA-N 2 2 330.476 2.309 10 30 EEEELP C=CCC[N@H+]1CCCC[C@H]1CNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001317171926 1332112282 /nfs/dbraw/zinc/11/22/82/1332112282.db2.gz FMBJXTPACGUOIT-KRWDZBQOSA-N 2 2 330.476 2.309 10 30 EEEELP C=C(C)C[NH2+][C@H](C)C1CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC001317673005 1332363756 /nfs/dbraw/zinc/36/37/56/1332363756.db2.gz DFWWLQYLDFBOJD-NVXWUHKLSA-N 2 2 330.476 2.238 10 30 EEEELP C=C(C)CC[NH2+]C/C=C\CNC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC001321293663 1333065935 /nfs/dbraw/zinc/06/59/35/1333065935.db2.gz JIPYIDWFPZTQEM-PLNGDYQASA-N 2 2 326.444 2.413 10 30 EEEELP CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)CC1(C)C ZINC001332388938 1335816048 /nfs/dbraw/zinc/81/60/48/1335816048.db2.gz SPHPYGOTZTVOGO-IAGOWNOFSA-N 2 2 330.476 2.320 10 30 EEEELP C=CCC[C@H](C)[N@H+](C)C[C@H]1CCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC001567741173 1342829667 /nfs/dbraw/zinc/82/96/67/1342829667.db2.gz CCUZJROAMBHCLX-DLBZAZTESA-N 2 2 332.492 2.488 10 30 EEEELP C=CCC[C@H](C)[N@@H+](C)C[C@H]1CCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC001567741173 1342829672 /nfs/dbraw/zinc/82/96/72/1342829672.db2.gz CCUZJROAMBHCLX-DLBZAZTESA-N 2 2 332.492 2.488 10 30 EEEELP C=CCC[NH2+]C[C@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1C(F)(F)F ZINC001677048040 1357269632 /nfs/dbraw/zinc/26/96/32/1357269632.db2.gz LQHKGBUJYOLEBX-GXTWGEPZSA-N 2 2 344.381 2.145 10 30 EEEELP C=CCC[NH2+]C[C@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1C(F)(F)F ZINC001677048040 1357269635 /nfs/dbraw/zinc/26/96/35/1357269635.db2.gz LQHKGBUJYOLEBX-GXTWGEPZSA-N 2 2 344.381 2.145 10 30 EEEELP C=CCC[NH2+][C@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)CC[C@@H]1C(F)(F)F ZINC001677376784 1357324433 /nfs/dbraw/zinc/32/44/33/1357324433.db2.gz ZAJITTKQSMKOGR-JSGCOSHPSA-N 2 2 344.381 2.206 10 30 EEEELP C=CCC[NH+]1CCC(C2(NC(=O)CCc3[nH+]ccn3C)CC2)CC1 ZINC001677463237 1357335805 /nfs/dbraw/zinc/33/58/05/1357335805.db2.gz SPQOFXUFNRUPCP-UHFFFAOYSA-N 2 2 330.476 2.290 10 30 EEEELP C#CC[NH+]1CCC(NC(=O)[C@H]2CC[C@@H](Nc3cccc[nH+]3)CC2)CC1 ZINC001596616856 1349908851 /nfs/dbraw/zinc/90/88/51/1349908851.db2.gz CYGYOZQMCPQTKF-CALCHBBNSA-N 2 2 340.471 2.266 10 30 EEEELP C=CCC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001656550404 1354247642 /nfs/dbraw/zinc/24/76/42/1354247642.db2.gz AMEDHFLTQHRFRV-IKGGRYGDSA-N 2 2 330.476 2.238 10 30 EEEELP CC#CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)[C@@H](CC)[NH+](C)C ZINC001674271644 1356810380 /nfs/dbraw/zinc/81/03/80/1356810380.db2.gz LQDCBRVXUUISIR-MOPGFXCFSA-N 2 2 327.472 2.066 10 30 EEEELP CC#CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)[C@@H](CC)[NH+](C)C ZINC001674271644 1356810386 /nfs/dbraw/zinc/81/03/86/1356810386.db2.gz LQDCBRVXUUISIR-MOPGFXCFSA-N 2 2 327.472 2.066 10 30 EEEELP C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)[C@H](F)C[NH+](CC)CC ZINC001480317294 1100051705 /nfs/dbraw/zinc/05/17/05/1100051705.db2.gz BBLYMWBAPKHTOA-HUUCEWRRSA-N 2 2 333.879 2.390 10 30 EEEELP C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H](F)C[NH+](CC)CC ZINC001480317294 1100051710 /nfs/dbraw/zinc/05/17/10/1100051710.db2.gz BBLYMWBAPKHTOA-HUUCEWRRSA-N 2 2 333.879 2.390 10 30 EEEELP CCCCCCC[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001495861154 1101686611 /nfs/dbraw/zinc/68/66/11/1101686611.db2.gz UBAWBMPWOLETFT-ROUUACIJSA-N 2 2 339.524 2.258 10 30 EEEELP CCCCCCC[N@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001495861154 1101686628 /nfs/dbraw/zinc/68/66/28/1101686628.db2.gz UBAWBMPWOLETFT-ROUUACIJSA-N 2 2 339.524 2.258 10 30 EEEELP CCCCCCC[NH+]1CCO[C@@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001495861154 1101686634 /nfs/dbraw/zinc/68/66/34/1101686634.db2.gz UBAWBMPWOLETFT-ROUUACIJSA-N 2 2 339.524 2.258 10 30 EEEELP CCCCCCC[NH+]1CCO[C@@H](CNC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001495861154 1101686639 /nfs/dbraw/zinc/68/66/39/1101686639.db2.gz UBAWBMPWOLETFT-ROUUACIJSA-N 2 2 339.524 2.258 10 30 EEEELP C=C(C)CC[N@@H+]1CCO[C@@H](CNC(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001495884974 1101715952 /nfs/dbraw/zinc/71/59/52/1101715952.db2.gz PBPYNQUKZFRIME-OALUTQOASA-N 2 2 345.487 2.073 10 30 EEEELP C=C(C)CC[N@H+]1CCO[C@@H](CNC(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001495884974 1101715968 /nfs/dbraw/zinc/71/59/68/1101715968.db2.gz PBPYNQUKZFRIME-OALUTQOASA-N 2 2 345.487 2.073 10 30 EEEELP C=CCC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H]2COCC[NH+]2C2CCCC2)C1 ZINC001480732897 1106999368 /nfs/dbraw/zinc/99/93/68/1106999368.db2.gz HOTLADKQFYHGMB-RTBURBONSA-N 2 2 349.519 2.129 10 30 EEEELP C=CCC[N@H+](C)[C@@H]1CCCN(C(=O)[C@H]2COCC[NH+]2C2CCCC2)C1 ZINC001480732897 1106999375 /nfs/dbraw/zinc/99/93/75/1106999375.db2.gz HOTLADKQFYHGMB-RTBURBONSA-N 2 2 349.519 2.129 10 30 EEEELP C=CCC[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC001480732897 1106999380 /nfs/dbraw/zinc/99/93/80/1106999380.db2.gz HOTLADKQFYHGMB-RTBURBONSA-N 2 2 349.519 2.129 10 30 EEEELP C=CCC[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2COCC[N@H+]2C2CCCC2)C1 ZINC001480732897 1106999389 /nfs/dbraw/zinc/99/93/89/1106999389.db2.gz HOTLADKQFYHGMB-RTBURBONSA-N 2 2 349.519 2.129 10 30 EEEELP C[C@H](CCNC(=O)CCc1c[nH]c[nH+]1)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001480767039 1107073849 /nfs/dbraw/zinc/07/38/49/1107073849.db2.gz GXZOWCUQJNOLTR-CYBMUJFWSA-N 2 2 343.406 2.038 10 30 EEEELP C[C@H](CCNC(=O)CCc1c[nH+]c[nH]1)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001480767039 1107073864 /nfs/dbraw/zinc/07/38/64/1107073864.db2.gz GXZOWCUQJNOLTR-CYBMUJFWSA-N 2 2 343.406 2.038 10 30 EEEELP N#Cc1ccc(C[NH2+]C2(CNC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CCC2)cc1 ZINC001501964261 1113539866 /nfs/dbraw/zinc/53/98/66/1113539866.db2.gz KRQXVJVUGSRSIB-IAGOWNOFSA-N 2 2 349.438 2.214 10 30 EEEELP N#Cc1ccc(C[NH2+]C2(CNC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CCC2)cc1 ZINC001501964261 1113539868 /nfs/dbraw/zinc/53/98/68/1113539868.db2.gz KRQXVJVUGSRSIB-IAGOWNOFSA-N 2 2 349.438 2.214 10 30 EEEELP C=CCCC[N@H+]1CCC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001502137850 1113611400 /nfs/dbraw/zinc/61/14/00/1113611400.db2.gz MCSGMOJNTRBVIB-GVDBMIGSSA-N 2 2 330.476 2.461 10 30 EEEELP C=CCCC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001502137850 1113611404 /nfs/dbraw/zinc/61/14/04/1113611404.db2.gz MCSGMOJNTRBVIB-GVDBMIGSSA-N 2 2 330.476 2.461 10 30 EEEELP C=CCCC[NH2+][C@H]1CN(C(=O)[C@H]2CCc3c[nH+]cn3C2)CC1(C)C ZINC001507440486 1115270540 /nfs/dbraw/zinc/27/05/40/1115270540.db2.gz RWETXKHUJNGUOB-RDJZCZTQSA-N 2 2 330.476 2.238 10 30 EEEELP C=CCCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001567857210 1124141296 /nfs/dbraw/zinc/14/12/96/1124141296.db2.gz WPEFZJQSLRGLOV-IRXDYDNUSA-N 2 2 328.460 2.013 10 30 EEEELP C=CCCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001567857210 1124141301 /nfs/dbraw/zinc/14/13/01/1124141301.db2.gz WPEFZJQSLRGLOV-IRXDYDNUSA-N 2 2 328.460 2.013 10 30 EEEELP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)N(C)C2(C#N)CCCCC2)[C@H](C)C1 ZINC000081096612 463394570 /nfs/dbraw/zinc/39/45/70/463394570.db2.gz LJBLOHKJXMQNQA-IAGOWNOFSA-N 2 2 334.508 2.333 10 30 EEEELP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)N(C)C2(C#N)CCCCC2)[C@H](C)C1 ZINC000081096612 463394573 /nfs/dbraw/zinc/39/45/73/463394573.db2.gz LJBLOHKJXMQNQA-IAGOWNOFSA-N 2 2 334.508 2.333 10 30 EEEELP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)N(C)C2(C#N)CCCCC2)[C@H](C)C1 ZINC000081096612 463394577 /nfs/dbraw/zinc/39/45/77/463394577.db2.gz LJBLOHKJXMQNQA-IAGOWNOFSA-N 2 2 334.508 2.333 10 30 EEEELP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)N(C)C2(C#N)CCCCC2)[C@H](C)C1 ZINC000081096612 463394578 /nfs/dbraw/zinc/39/45/78/463394578.db2.gz LJBLOHKJXMQNQA-IAGOWNOFSA-N 2 2 334.508 2.333 10 30 EEEELP Cc1cccc(NC[C@H]2CC[N@@H+](CC(=O)N[C@](C)(C#N)C(C)C)C2)[nH+]1 ZINC000249862252 464920827 /nfs/dbraw/zinc/92/08/27/464920827.db2.gz GNYWRMFLXBIFCR-VQIMIIECSA-N 2 2 343.475 2.178 10 30 EEEELP Cc1cccc(NC[C@H]2CC[N@H+](CC(=O)N[C@](C)(C#N)C(C)C)C2)[nH+]1 ZINC000249862252 464920833 /nfs/dbraw/zinc/92/08/33/464920833.db2.gz GNYWRMFLXBIFCR-VQIMIIECSA-N 2 2 343.475 2.178 10 30 EEEELP CC[NH+](CC)CC1CC[NH+](Cn2cc3c(c(C#N)c2=O)CCC3)CC1 ZINC000766636913 577522548 /nfs/dbraw/zinc/52/25/48/577522548.db2.gz KKAQYZQFGBBBJG-UHFFFAOYSA-N 2 2 342.487 2.220 10 30 EEEELP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCC[C@H]2c2ccc(C)c(C)c2)CC1 ZINC000748813525 577967133 /nfs/dbraw/zinc/96/71/33/577967133.db2.gz MPYRQYPQOFLYKQ-FQEVSTJZSA-N 2 2 339.483 2.218 10 30 EEEELP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@H]2c2ccc(C)c(C)c2)CC1 ZINC000748813525 577967134 /nfs/dbraw/zinc/96/71/34/577967134.db2.gz MPYRQYPQOFLYKQ-FQEVSTJZSA-N 2 2 339.483 2.218 10 30 EEEELP C#CC[NH+]1CCN(C(=O)C[N@@H+](C)[C@H](c2ccccc2C)C(C)C)CC1 ZINC000748818233 577967512 /nfs/dbraw/zinc/96/75/12/577967512.db2.gz SJQHHFJCZKZLSY-NRFANRHFSA-N 2 2 341.499 2.401 10 30 EEEELP C#CC[NH+]1CCN(C(=O)C[N@H+](C)[C@H](c2ccccc2C)C(C)C)CC1 ZINC000748818233 577967513 /nfs/dbraw/zinc/96/75/13/577967513.db2.gz SJQHHFJCZKZLSY-NRFANRHFSA-N 2 2 341.499 2.401 10 30 EEEELP C=CCC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)CCc3c[nH+]cn3C)C[C@H]2C1 ZINC001485656422 1191875058 /nfs/dbraw/zinc/87/50/58/1191875058.db2.gz CSUZQIBYEVYYMB-YESZJQIVSA-N 2 2 330.476 2.146 10 30 EEEELP C=CCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)CCc3c[nH+]cn3C)C[C@H]2C1 ZINC001485656422 1191875060 /nfs/dbraw/zinc/87/50/60/1191875060.db2.gz CSUZQIBYEVYYMB-YESZJQIVSA-N 2 2 330.476 2.146 10 30 EEEELP C=C(Cl)C[N@H+]1CCC[C@H]1CCCNC(=O)CCc1c[nH+]cn1C ZINC001266244594 1176013616 /nfs/dbraw/zinc/01/36/16/1176013616.db2.gz SKBZYUCLTJYXLM-OAHLLOKOSA-N 2 2 338.883 2.466 10 30 EEEELP C=C(Cl)C[N@@H+]1CCC[C@H]1CCCNC(=O)CCc1c[nH+]cn1C ZINC001266244594 1176013626 /nfs/dbraw/zinc/01/36/26/1176013626.db2.gz SKBZYUCLTJYXLM-OAHLLOKOSA-N 2 2 338.883 2.466 10 30 EEEELP C=CCCC[NH+]1CCC[C@H]1CNC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1 ZINC001691078886 1177537992 /nfs/dbraw/zinc/53/79/92/1177537992.db2.gz FFDHYCLERRUXFB-YJBOKZPZSA-N 2 2 345.491 2.337 10 30 EEEELP C=CCCC[NH+]1CCC[C@H]1CNC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1 ZINC001691078886 1177537999 /nfs/dbraw/zinc/53/79/99/1177537999.db2.gz FFDHYCLERRUXFB-YJBOKZPZSA-N 2 2 345.491 2.337 10 30 EEEELP C=CCCC[N@H+]1CCC[C@H]1CNC(=O)c1cc([C@@H]2CCC[NH+]2C)n[nH]1 ZINC001691078886 1177538005 /nfs/dbraw/zinc/53/80/05/1177538005.db2.gz FFDHYCLERRUXFB-YJBOKZPZSA-N 2 2 345.491 2.337 10 30 EEEELP C=CCCC[N@@H+]1CCC[C@H]1CNC(=O)c1cc([C@@H]2CCC[NH+]2C)n[nH]1 ZINC001691078886 1177538010 /nfs/dbraw/zinc/53/80/10/1177538010.db2.gz FFDHYCLERRUXFB-YJBOKZPZSA-N 2 2 345.491 2.337 10 30 EEEELP C#CCC[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001266891816 1177727769 /nfs/dbraw/zinc/72/77/69/1177727769.db2.gz RNLWRZJTRVGZRK-IAGOWNOFSA-N 2 2 330.476 2.167 10 30 EEEELP C#CCC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001266891816 1177727772 /nfs/dbraw/zinc/72/77/72/1177727772.db2.gz RNLWRZJTRVGZRK-IAGOWNOFSA-N 2 2 330.476 2.167 10 30 EEEELP C[C@@H](CC(=O)N1CC[C@H]([NH2+]CC#Cc2ccccc2)C1)n1cc[nH+]c1 ZINC001267021194 1178104520 /nfs/dbraw/zinc/10/45/20/1178104520.db2.gz VALNMYKAPYJZHS-HKUYNNGSSA-N 2 2 336.439 2.076 10 30 EEEELP C#CC[N@H+]1CC[C@H](N(CCC)C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001267543313 1179320287 /nfs/dbraw/zinc/32/02/87/1179320287.db2.gz FFRQJSXWVVALAL-ZWKOTPCHSA-N 2 2 330.476 2.416 10 30 EEEELP C#CC[N@@H+]1CC[C@H](N(CCC)C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001267543313 1179320293 /nfs/dbraw/zinc/32/02/93/1179320293.db2.gz FFRQJSXWVVALAL-ZWKOTPCHSA-N 2 2 330.476 2.416 10 30 EEEELP C=CCCC[N@@H+]1CC[C@H](CCNC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001267557872 1179358239 /nfs/dbraw/zinc/35/82/39/1179358239.db2.gz OBXVSXDCYHOHPG-DLBZAZTESA-N 2 2 330.476 2.240 10 30 EEEELP C=CCCC[N@H+]1CC[C@H](CCNC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001267557872 1179358247 /nfs/dbraw/zinc/35/82/47/1179358247.db2.gz OBXVSXDCYHOHPG-DLBZAZTESA-N 2 2 330.476 2.240 10 30 EEEELP COCC#CC[N@@H+]1CC[C@@H](CCNC(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001267561039 1179362139 /nfs/dbraw/zinc/36/21/39/1179362139.db2.gz OQBOLINEDQFWBH-GOSISDBHSA-N 2 2 343.471 2.098 10 30 EEEELP COCC#CC[N@H+]1CC[C@@H](CCNC(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001267561039 1179362145 /nfs/dbraw/zinc/36/21/45/1179362145.db2.gz OQBOLINEDQFWBH-GOSISDBHSA-N 2 2 343.471 2.098 10 30 EEEELP C=CCOCC[N@@H+](C)C[C@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001267658841 1180118750 /nfs/dbraw/zinc/11/87/50/1180118750.db2.gz SMMMXGRRPPLJGQ-OAHLLOKOSA-N 2 2 342.443 2.159 10 30 EEEELP C=CCOCC[N@H+](C)C[C@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001267658841 1180118754 /nfs/dbraw/zinc/11/87/54/1180118754.db2.gz SMMMXGRRPPLJGQ-OAHLLOKOSA-N 2 2 342.443 2.159 10 30 EEEELP CC#CC[NH2+]C[C@@]1(NC(=O)Cc2c[nH+]ccc2OC)CCCC[C@@H]1C ZINC001267869524 1180658068 /nfs/dbraw/zinc/65/80/68/1180658068.db2.gz FCMBDNNHQXCRKX-JXFKEZNVSA-N 2 2 343.471 2.311 10 30 EEEELP C#CCC[NH2+]C[C@@]1(NC(=O)CCc2[nH+]ccn2C)CCCC[C@H]1C ZINC001481961847 1183045404 /nfs/dbraw/zinc/04/54/04/1183045404.db2.gz OTHXCTJXQAMKEY-APWZRJJASA-N 2 2 330.476 2.031 10 30 EEEELP C#CCC[NH2+]C[C@@H](NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1)C1CCCCC1 ZINC001271347842 1186153651 /nfs/dbraw/zinc/15/36/51/1186153651.db2.gz SJEBJIWCDWKFMX-MAUKXSAKSA-N 2 2 330.476 2.266 10 30 EEEELP C#CCC[NH2+]C[C@@H](NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1)C1CCCCC1 ZINC001271347842 1186153654 /nfs/dbraw/zinc/15/36/54/1186153654.db2.gz SJEBJIWCDWKFMX-MAUKXSAKSA-N 2 2 330.476 2.266 10 30 EEEELP C[C@@H](NC(=O)CCc1c[nH]c[nH+]1)[C@H](C)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001409387808 1189613975 /nfs/dbraw/zinc/61/39/75/1189613975.db2.gz RKWWEYIIGGBFEC-QWHCGFSZSA-N 2 2 343.406 2.036 10 30 EEEELP C[C@@H](NC(=O)CCc1c[nH+]c[nH]1)[C@H](C)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001409387808 1189613979 /nfs/dbraw/zinc/61/39/79/1189613979.db2.gz RKWWEYIIGGBFEC-QWHCGFSZSA-N 2 2 343.406 2.036 10 30 EEEELP C=C(C)CC[NH2+]CC[C@H]1CCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001272473912 1190839888 /nfs/dbraw/zinc/83/98/88/1190839888.db2.gz CKBAMJHTJSGWNR-IRXDYDNUSA-N 2 2 330.476 2.240 10 30 EEEELP C#CCN(C(=O)[C@@H](C)Cc1c[nH]c[nH+]1)C1CC[NH+](CC2CCC2)CC1 ZINC001483988301 1191144028 /nfs/dbraw/zinc/14/40/28/1191144028.db2.gz WEYSQKLKPCEGKX-INIZCTEOSA-N 2 2 342.487 2.315 10 30 EEEELP C#CCN(C(=O)[C@@H](C)Cc1c[nH+]c[nH]1)C1CC[NH+](CC2CCC2)CC1 ZINC001483988301 1191144029 /nfs/dbraw/zinc/14/40/29/1191144029.db2.gz WEYSQKLKPCEGKX-INIZCTEOSA-N 2 2 342.487 2.315 10 30 EEEELP C=C(C)C[NH2+]C1(CNC(=O)c2cc3c[nH+]ccc3[nH]2)CCOCC1 ZINC001484185494 1191263725 /nfs/dbraw/zinc/26/37/25/1191263725.db2.gz NPPXMARPRAZYNT-UHFFFAOYSA-N 2 2 328.416 2.008 10 30 EEEELP C=CCCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)Cc1c[nH+]cn1C)C2 ZINC001484390429 1191325188 /nfs/dbraw/zinc/32/51/88/1191325188.db2.gz OTBZCGSLRNUGEO-BJWYYQGGSA-N 2 2 330.476 2.288 10 30 EEEELP C=CCCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)Cc1c[nH+]cn1C)C2 ZINC001484390429 1191325190 /nfs/dbraw/zinc/32/51/90/1191325190.db2.gz OTBZCGSLRNUGEO-BJWYYQGGSA-N 2 2 330.476 2.288 10 30 EEEELP C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)C1(C[NH+](C)C)CCCCC1)CO2 ZINC001484799319 1191523371 /nfs/dbraw/zinc/52/33/71/1191523371.db2.gz JSCUPWXFGYZOKC-QGZVFWFLSA-N 2 2 349.519 2.034 10 30 EEEELP CC(C)(C)[C@H](C[NH2+]Cc1cccc(C#N)c1)NC(=O)Cn1cc[nH+]c1 ZINC001411218828 1198929543 /nfs/dbraw/zinc/92/95/43/1198929543.db2.gz UKVQSBCKDNHOSF-KRWDZBQOSA-N 2 2 339.443 2.075 10 30 EEEELP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N(C)CCC[NH2+]CC#Cc1ccccc1 ZINC001276272555 1205863774 /nfs/dbraw/zinc/86/37/74/1205863774.db2.gz ZPRTYLZHUDXJLX-KRWDZBQOSA-N 2 2 338.455 2.078 10 30 EEEELP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N(C)CCC[NH2+]CC#Cc1ccccc1 ZINC001276272555 1205863775 /nfs/dbraw/zinc/86/37/75/1205863775.db2.gz ZPRTYLZHUDXJLX-KRWDZBQOSA-N 2 2 338.455 2.078 10 30 EEEELP C[C@H]([NH2+][C@H]1C[NH2+]CC2(CCOCC2)C1)c1ccc(OCC#N)cc1 ZINC000925799312 1206154988 /nfs/dbraw/zinc/15/49/88/1206154988.db2.gz TYDNFMVUZPPQAG-DOTOQJQBSA-N 2 2 329.444 2.398 10 30 EEEELP CC#CC[NH2+]CCCCCCN(C)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001489097679 1290369686 /nfs/dbraw/zinc/36/96/86/1290369686.db2.gz GNCBLRQNWJFNMQ-QGZVFWFLSA-N 2 2 330.476 2.077 10 30 EEEELP C#CCN(C(=O)CCc1[nH+]ccn1C)C1CC[NH+](C[C@@H](C)CC)CC1 ZINC001278168545 1306161709 /nfs/dbraw/zinc/16/17/09/1306161709.db2.gz DBNNUWJIKZNWDR-KRWDZBQOSA-N 2 2 344.503 2.325 10 30 EEEELP CC#CC[NH2+]CCCCCCN(C)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001264043335 1322597461 /nfs/dbraw/zinc/59/74/61/1322597461.db2.gz QJEVDUFVXCVUJV-QGZVFWFLSA-N 2 2 330.476 2.077 10 30 EEEELP C=C(C)CC[N@@H+](CCO)[C@H]1CCCN(C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001264635337 1322759831 /nfs/dbraw/zinc/75/98/31/1322759831.db2.gz ZUEHUTAKUYYMEP-MSOLQXFVSA-N 2 2 348.491 2.086 10 30 EEEELP C=C(C)CC[N@H+](CCO)[C@H]1CCCN(C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001264635337 1322759833 /nfs/dbraw/zinc/75/98/33/1322759833.db2.gz ZUEHUTAKUYYMEP-MSOLQXFVSA-N 2 2 348.491 2.086 10 30 EEEELP C=CC[NH2+]Cc1ccc(CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)c(F)c1 ZINC001285005183 1326823719 /nfs/dbraw/zinc/82/37/19/1326823719.db2.gz SUOLIXAKVMOGJJ-HUUCEWRRSA-N 2 2 328.391 2.244 10 30 EEEELP C=CC[NH2+]Cc1ccc(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)c(F)c1 ZINC001285005183 1326823723 /nfs/dbraw/zinc/82/37/23/1326823723.db2.gz SUOLIXAKVMOGJJ-HUUCEWRRSA-N 2 2 328.391 2.244 10 30 EEEELP C=C(C)C[NH2+]Cc1ccc(CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC001318996823 1332634652 /nfs/dbraw/zinc/63/46/52/1332634652.db2.gz WEQHMAPOUCSGPP-GOSISDBHSA-N 2 2 338.455 2.428 10 30 EEEELP C#CCC[N@@H+](C)CCC1CCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC001319881977 1332791633 /nfs/dbraw/zinc/79/16/33/1332791633.db2.gz YCCRMTDITZMNOA-GOSISDBHSA-N 2 2 342.487 2.029 10 30 EEEELP C#CCC[N@H+](C)CCC1CCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC001319881977 1332791634 /nfs/dbraw/zinc/79/16/34/1332791634.db2.gz YCCRMTDITZMNOA-GOSISDBHSA-N 2 2 342.487 2.029 10 30 EEEELP C=C(C)C[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001320134969 1332835080 /nfs/dbraw/zinc/83/50/80/1332835080.db2.gz STFWZCWERUINRP-RDJZCZTQSA-N 2 2 330.476 2.213 10 30 EEEELP C=CCCC[N@@H+]1CC[C@H]([C@@H]2CCCN(C(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC001328808181 1334525879 /nfs/dbraw/zinc/52/58/79/1334525879.db2.gz OLPSZGDPETZRFW-SJORKVTESA-N 2 2 330.476 2.479 10 30 EEEELP C=CCCC[N@H+]1CC[C@H]([C@@H]2CCCN(C(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC001328808181 1334525882 /nfs/dbraw/zinc/52/58/82/1334525882.db2.gz OLPSZGDPETZRFW-SJORKVTESA-N 2 2 330.476 2.479 10 30 EEEELP C#CCC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)c3cccc4[nH+]ccn43)C[C@@H]21 ZINC001332141092 1335741538 /nfs/dbraw/zinc/74/15/38/1335741538.db2.gz QDAVCVFDTFEDCT-YESZJQIVSA-N 2 2 336.439 2.188 10 30 EEEELP C=CCCC[NH+]1CCC(N(C)C(=O)[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC001566609237 1342579199 /nfs/dbraw/zinc/57/91/99/1342579199.db2.gz RRJRLPJLHKPQBM-INIZCTEOSA-N 2 2 330.476 2.335 10 30 EEEELP C=CCC[C@@H](C)[NH2+]C1(CNC(=O)[C@H]2COCC[N@@H+]2C2CCCC2)CC1 ZINC001569415127 1342867157 /nfs/dbraw/zinc/86/71/57/1342867157.db2.gz YGPQSZZDEHTJET-SJLPKXTDSA-N 2 2 349.519 2.223 10 30 EEEELP C=CCC[C@@H](C)[NH2+]C1(CNC(=O)[C@H]2COCC[N@H+]2C2CCCC2)CC1 ZINC001569415127 1342867159 /nfs/dbraw/zinc/86/71/59/1342867159.db2.gz YGPQSZZDEHTJET-SJLPKXTDSA-N 2 2 349.519 2.223 10 30 EEEELP C=CCOCC[N@H+]1CCC[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)[C@@H]1C ZINC001676872174 1357226552 /nfs/dbraw/zinc/22/65/52/1357226552.db2.gz GMYJJXYRNCIMOL-GOEBONIOSA-N 2 2 342.443 2.348 10 30 EEEELP C=CCOCC[N@@H+]1CCC[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)[C@@H]1C ZINC001676872174 1357226558 /nfs/dbraw/zinc/22/65/58/1357226558.db2.gz GMYJJXYRNCIMOL-GOEBONIOSA-N 2 2 342.443 2.348 10 30 EEEELP C#CC[NH2+]C1(CNC(=O)CCC)CC[NH+](Cc2ccccc2)CC1 ZINC001677371916 1357322932 /nfs/dbraw/zinc/32/29/32/1357322932.db2.gz NFZVVGOVYRNMQD-UHFFFAOYSA-N 2 2 327.472 2.160 10 30 EEEELP CC#CC[NH2+][C@H]1CCCCCN(C(=O)Cc2c[nH+]ccc2OC)C1 ZINC001656895458 1354296082 /nfs/dbraw/zinc/29/60/82/1354296082.db2.gz ZFPRJRKZDSPAGJ-KRWDZBQOSA-N 2 2 329.444 2.017 10 30 EEEELP C=CCCC[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001664817317 1355234812 /nfs/dbraw/zinc/23/48/12/1355234812.db2.gz FQHHGOMRPFVZFC-IAGOWNOFSA-N 2 2 330.476 2.192 10 30 EEEELP C=CCCC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001664817317 1355234816 /nfs/dbraw/zinc/23/48/16/1355234816.db2.gz FQHHGOMRPFVZFC-IAGOWNOFSA-N 2 2 330.476 2.192 10 30 EEEELP C#CC[N@H+]1CCC2(C1)CCN(C(=O)[C@H](CC(C)C)n1cc[nH+]c1)CC2 ZINC001698735521 1405034318 /nfs/dbraw/zinc/03/43/18/1405034318.db2.gz IYLGTGOCFNUBLW-SFHVURJKSA-N 2 2 342.487 2.418 10 30 EEEELP C#CC[N@@H+]1CCC2(C1)CCN(C(=O)[C@H](CC(C)C)n1cc[nH+]c1)CC2 ZINC001698735521 1405034327 /nfs/dbraw/zinc/03/43/27/1405034327.db2.gz IYLGTGOCFNUBLW-SFHVURJKSA-N 2 2 342.487 2.418 10 30 EEEELP C[NH+]1C[C@]2(C)C[NH+](CCC(=O)Nc3sccc3C#N)C[C@@]2(C)C1 ZINC000826798532 800418878 /nfs/dbraw/zinc/41/88/78/800418878.db2.gz IUPOMBGLLYNGBM-IAGOWNOFSA-N 2 2 332.473 2.222 10 30 EEEELP C=CCCC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCn3c[nH+]cc3C1)CC2 ZINC001495979059 1101886151 /nfs/dbraw/zinc/88/61/51/1101886151.db2.gz NPFOQBBMLYCMMV-QGZVFWFLSA-N 2 2 342.487 2.336 10 30 EEEELP C=CC[N@H+]1CC[C@H](CCNC(=O)Cc2cn3cccc(C)c3[nH+]2)C1 ZINC001494060061 1103449685 /nfs/dbraw/zinc/44/96/85/1103449685.db2.gz FYZNVAHPXJPRLE-INIZCTEOSA-N 2 2 326.444 2.199 10 30 EEEELP C=CC[N@@H+]1CC[C@H](CCNC(=O)Cc2cn3cccc(C)c3[nH+]2)C1 ZINC001494060061 1103449689 /nfs/dbraw/zinc/44/96/89/1103449689.db2.gz FYZNVAHPXJPRLE-INIZCTEOSA-N 2 2 326.444 2.199 10 30 EEEELP C=CCC[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H]2COCC[NH+]2C2CCCC2)C1 ZINC001480732895 1107001296 /nfs/dbraw/zinc/00/12/96/1107001296.db2.gz HOTLADKQFYHGMB-OALUTQOASA-N 2 2 349.519 2.129 10 30 EEEELP C=CCC[N@H+](C)[C@H]1CCCN(C(=O)[C@@H]2COCC[NH+]2C2CCCC2)C1 ZINC001480732895 1107001309 /nfs/dbraw/zinc/00/13/09/1107001309.db2.gz HOTLADKQFYHGMB-OALUTQOASA-N 2 2 349.519 2.129 10 30 EEEELP C=CCC[NH+](C)[C@H]1CCCN(C(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC001480732895 1107001326 /nfs/dbraw/zinc/00/13/26/1107001326.db2.gz HOTLADKQFYHGMB-OALUTQOASA-N 2 2 349.519 2.129 10 30 EEEELP C=CCC[NH+](C)[C@H]1CCCN(C(=O)[C@@H]2COCC[N@H+]2C2CCCC2)C1 ZINC001480732895 1107001341 /nfs/dbraw/zinc/00/13/41/1107001341.db2.gz HOTLADKQFYHGMB-OALUTQOASA-N 2 2 349.519 2.129 10 30 EEEELP CC#CC[N@@H+]1CCC2(CN(C(=O)c3ccc(-n4cc[nH+]c4)cc3)C2)C1 ZINC001472128893 1110545494 /nfs/dbraw/zinc/54/54/94/1110545494.db2.gz HIQDJIRLTKOYMN-UHFFFAOYSA-N 2 2 334.423 2.044 10 30 EEEELP CC#CC[N@H+]1CCC2(CN(C(=O)c3ccc(-n4cc[nH+]c4)cc3)C2)C1 ZINC001472128893 1110545495 /nfs/dbraw/zinc/54/54/95/1110545495.db2.gz HIQDJIRLTKOYMN-UHFFFAOYSA-N 2 2 334.423 2.044 10 30 EEEELP C#CCN(C(=O)CCc1c[nH]c[nH+]1)C1CC[NH+](CCC(=C)C)CC1 ZINC001500039601 1112588667 /nfs/dbraw/zinc/58/86/67/1112588667.db2.gz UALWTWWTLDATLJ-UHFFFAOYSA-N 2 2 328.460 2.235 10 30 EEEELP C#CCN(C(=O)CCc1c[nH+]c[nH]1)C1CC[NH+](CCC(=C)C)CC1 ZINC001500039601 1112588669 /nfs/dbraw/zinc/58/86/69/1112588669.db2.gz UALWTWWTLDATLJ-UHFFFAOYSA-N 2 2 328.460 2.235 10 30 EEEELP CC#CC[NH+]1CCC2(CN(C(=O)[C@H](CC(C)C)n3cc[nH+]c3)C2)CC1 ZINC001501736926 1113455799 /nfs/dbraw/zinc/45/57/99/1113455799.db2.gz ICGRSXYXMPXPSV-SFHVURJKSA-N 2 2 342.487 2.418 10 30 EEEELP C=CCCCCC[NH2+]C[C@H]1CCCCN1C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001501868057 1113504778 /nfs/dbraw/zinc/50/47/78/1113504778.db2.gz SPDGTQJJTOANSF-MSOLQXFVSA-N 2 2 337.508 2.034 10 30 EEEELP C=CCCCCC[NH2+]C[C@H]1CCCCN1C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001501868057 1113504779 /nfs/dbraw/zinc/50/47/79/1113504779.db2.gz SPDGTQJJTOANSF-MSOLQXFVSA-N 2 2 337.508 2.034 10 30 EEEELP C=C(Cl)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H](c3ccccc3)[NH+](C)C)[C@@H]2C1 ZINC001506829178 1114899204 /nfs/dbraw/zinc/89/92/04/1114899204.db2.gz KLPQRQPPTBYRFW-ZJPYXAASSA-N 2 2 347.890 2.336 10 30 EEEELP C=C(Cl)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H](c3ccccc3)[NH+](C)C)[C@@H]2C1 ZINC001506829178 1114899208 /nfs/dbraw/zinc/89/92/08/1114899208.db2.gz KLPQRQPPTBYRFW-ZJPYXAASSA-N 2 2 347.890 2.336 10 30 EEEELP C=C(Br)C[NH2+]CC[C@H](C)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001568682326 1124694879 /nfs/dbraw/zinc/69/48/79/1124694879.db2.gz IZBPOVZVDNKAGJ-STQMWFEESA-N 2 2 343.269 2.227 10 30 EEEELP CN(C)c1nc(N2CC[NH+](CCCCC(C)(C)C#N)CC2)cc[nH+]1 ZINC000336881976 465077404 /nfs/dbraw/zinc/07/74/04/465077404.db2.gz VDCWRTOZJJPDPB-UHFFFAOYSA-N 2 2 330.480 2.385 10 30 EEEELP COc1ccc(C#N)cc1C[N@@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000095995351 463133811 /nfs/dbraw/zinc/13/38/11/463133811.db2.gz BTFMZSIMTCSWCA-IBGZPJMESA-N 2 2 342.487 2.169 10 30 EEEELP COc1ccc(C#N)cc1C[N@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000095995351 463133815 /nfs/dbraw/zinc/13/38/15/463133815.db2.gz BTFMZSIMTCSWCA-IBGZPJMESA-N 2 2 342.487 2.169 10 30 EEEELP C=CCN1CC[C@@H]([N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)C1=O ZINC000282027998 464674003 /nfs/dbraw/zinc/67/40/03/464674003.db2.gz KQWFRSROQWLKFH-DOTOQJQBSA-N 2 2 328.460 2.186 10 30 EEEELP C=CCN1CC[C@@H]([N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)C1=O ZINC000282027998 464674008 /nfs/dbraw/zinc/67/40/08/464674008.db2.gz KQWFRSROQWLKFH-DOTOQJQBSA-N 2 2 328.460 2.186 10 30 EEEELP N#CCC(=O)N1CC[NH+](Cc2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000578080324 468197648 /nfs/dbraw/zinc/19/76/48/468197648.db2.gz TVPVEZXYSRNATN-UHFFFAOYSA-N 2 2 340.471 2.230 10 30 EEEELP C[C@H]1C[N@H+](Cc2cnc3ccc(C#N)cn23)CCN1c1cc[nH+]cc1 ZINC000895556583 684641234 /nfs/dbraw/zinc/64/12/34/684641234.db2.gz LCLBNYOYLIRVGH-HNNXBMFYSA-N 2 2 332.411 2.312 10 30 EEEELP C[C@H]1C[N@@H+](Cc2cnc3ccc(C#N)cn23)CCN1c1cc[nH+]cc1 ZINC000895556583 684641235 /nfs/dbraw/zinc/64/12/35/684641235.db2.gz LCLBNYOYLIRVGH-HNNXBMFYSA-N 2 2 332.411 2.312 10 30 EEEELP Cc1[nH+]c[nH]c1CC(=O)N[C@H](C)CCC[NH2+]Cc1ccc(C#N)s1 ZINC001485747108 1191929908 /nfs/dbraw/zinc/92/99/08/1191929908.db2.gz UUFWWMYNTVGGGZ-GFCCVEGCSA-N 2 2 345.472 2.269 10 30 EEEELP C=C(C)C[N@H+]1CCC[C@H]([C@H](C)NC(=O)Cc2c[nH+]ccc2OC)C1 ZINC001266892481 1177730613 /nfs/dbraw/zinc/73/06/13/1177730613.db2.gz VWDUWLCSLOLKOM-HOTGVXAUSA-N 2 2 331.460 2.426 10 30 EEEELP C=C(C)C[N@@H+]1CCC[C@H]([C@H](C)NC(=O)Cc2c[nH+]ccc2OC)C1 ZINC001266892481 1177730615 /nfs/dbraw/zinc/73/06/15/1177730615.db2.gz VWDUWLCSLOLKOM-HOTGVXAUSA-N 2 2 331.460 2.426 10 30 EEEELP C=C(C)C[N@@H+]1CCC[C@@H]1CCCNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001267168305 1178385129 /nfs/dbraw/zinc/38/51/29/1178385129.db2.gz ACAYWQMETJFZDZ-SJORKVTESA-N 2 2 330.476 2.382 10 30 EEEELP C=C(C)C[N@H+]1CCC[C@@H]1CCCNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001267168305 1178385137 /nfs/dbraw/zinc/38/51/37/1178385137.db2.gz ACAYWQMETJFZDZ-SJORKVTESA-N 2 2 330.476 2.382 10 30 EEEELP CCN(CC[NH2+]CC#Cc1cccc(Cl)c1)C(=O)Cc1c[nH+]c[nH]1 ZINC001268483362 1182943146 /nfs/dbraw/zinc/94/31/46/1182943146.db2.gz GXBMTSRPMMDABM-UHFFFAOYSA-N 2 2 344.846 2.095 10 30 EEEELP C=CCCCCC[N@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001269065255 1183930924 /nfs/dbraw/zinc/93/09/24/1183930924.db2.gz KDMMDJQTVLGIIE-GVDBMIGSSA-N 2 2 330.476 2.461 10 30 EEEELP C=CCCCCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001269065255 1183930927 /nfs/dbraw/zinc/93/09/27/1183930927.db2.gz KDMMDJQTVLGIIE-GVDBMIGSSA-N 2 2 330.476 2.461 10 30 EEEELP C=CCC[NH+]1CCO[C@@H](CNC(=O)[C@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001270690184 1185318504 /nfs/dbraw/zinc/31/85/04/1185318504.db2.gz BELPIVHPKRHMLB-OALUTQOASA-N 2 2 345.487 2.073 10 30 EEEELP C=CCC[NH+]1CCO[C@@H](CNC(=O)[C@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001270690184 1185318512 /nfs/dbraw/zinc/31/85/12/1185318512.db2.gz BELPIVHPKRHMLB-OALUTQOASA-N 2 2 345.487 2.073 10 30 EEEELP C=CCC[N@@H+]1CCO[C@@H](CNC(=O)[C@H](c2ccccc2)[NH+](C)CC)C1 ZINC001270690184 1185318520 /nfs/dbraw/zinc/31/85/20/1185318520.db2.gz BELPIVHPKRHMLB-OALUTQOASA-N 2 2 345.487 2.073 10 30 EEEELP C=CCC[N@H+]1CCO[C@@H](CNC(=O)[C@H](c2ccccc2)[NH+](C)CC)C1 ZINC001270690184 1185318526 /nfs/dbraw/zinc/31/85/26/1185318526.db2.gz BELPIVHPKRHMLB-OALUTQOASA-N 2 2 345.487 2.073 10 30 EEEELP C#CCN(C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C1CC[NH+](CC(=C)C)CC1 ZINC001483987099 1191143333 /nfs/dbraw/zinc/14/33/33/1191143333.db2.gz DBSSDMODRBIAAF-QZTJIDSGSA-N 2 2 340.471 2.026 10 30 EEEELP CC#CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)CCCn1cc[nH+]c1)C2 ZINC001484022728 1191160482 /nfs/dbraw/zinc/16/04/82/1191160482.db2.gz OBBNJMSZNQFNES-HXUWFJFHSA-N 2 2 342.487 2.391 10 30 EEEELP CC#CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)CCCn1cc[nH+]c1)C2 ZINC001484022728 1191160483 /nfs/dbraw/zinc/16/04/83/1191160483.db2.gz OBBNJMSZNQFNES-HXUWFJFHSA-N 2 2 342.487 2.391 10 30 EEEELP C=CCC[NH2+]CC1(NC(=O)[C@@H]2CCc3c[nH+]cn3C2)CCCCC1 ZINC001276208876 1205834215 /nfs/dbraw/zinc/83/42/15/1205834215.db2.gz SNFNXDJVGFXOAP-MRXNPFEDSA-N 2 2 330.476 2.430 10 30 EEEELP C=CCCC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)Cc2c[nH+]cn2C)C1 ZINC001490983042 1258538187 /nfs/dbraw/zinc/53/81/87/1258538187.db2.gz NNZCXASYUSSUCW-FUHWJXTLSA-N 2 2 330.476 2.242 10 30 EEEELP C=CCCC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)Cc2c[nH+]cn2C)C1 ZINC001490983042 1258538195 /nfs/dbraw/zinc/53/81/95/1258538195.db2.gz NNZCXASYUSSUCW-FUHWJXTLSA-N 2 2 330.476 2.242 10 30 EEEELP C[C@H](CCNC(=O)Cn1cc[nH+]c1)[NH2+]CC#Cc1ccccc1Cl ZINC001266191716 1323754703 /nfs/dbraw/zinc/75/47/03/1323754703.db2.gz IGDIROYJYXGMCY-OAHLLOKOSA-N 2 2 344.846 2.073 10 30 EEEELP C=C(C)CC[N@H+]1CC=C(CNC(=O)Cc2c[nH+]ccc2OC)CC1 ZINC001284927703 1326779340 /nfs/dbraw/zinc/77/93/40/1326779340.db2.gz HNJUXVPNURYVCX-UHFFFAOYSA-N 2 2 329.444 2.347 10 30 EEEELP C=C(C)CC[N@@H+]1CC=C(CNC(=O)Cc2c[nH+]ccc2OC)CC1 ZINC001284927703 1326779342 /nfs/dbraw/zinc/77/93/42/1326779342.db2.gz HNJUXVPNURYVCX-UHFFFAOYSA-N 2 2 329.444 2.347 10 30 EEEELP C=CCC[N@H+]1CC[C@@H](N(CCC)C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001317762279 1332401034 /nfs/dbraw/zinc/40/10/34/1332401034.db2.gz WDQMBDQKEPDJNT-IAGOWNOFSA-N 2 2 330.476 2.335 10 30 EEEELP C=CCC[N@@H+]1CC[C@@H](N(CCC)C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001317762279 1332401035 /nfs/dbraw/zinc/40/10/35/1332401035.db2.gz WDQMBDQKEPDJNT-IAGOWNOFSA-N 2 2 330.476 2.335 10 30 EEEELP C=CCC[N@@H+](C)C[C@@H]1CCN(C(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001317840491 1332427805 /nfs/dbraw/zinc/42/78/05/1332427805.db2.gz RUXGCQITHIAVGK-INIZCTEOSA-N 2 2 330.476 2.118 10 30 EEEELP C=CCC[N@H+](C)C[C@@H]1CCN(C(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001317840491 1332427809 /nfs/dbraw/zinc/42/78/09/1332427809.db2.gz RUXGCQITHIAVGK-INIZCTEOSA-N 2 2 330.476 2.118 10 30 EEEELP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](CC)[NH2+]Cc1c(F)cccc1F ZINC001318539015 1332557242 /nfs/dbraw/zinc/55/72/42/1332557242.db2.gz YAIDMDQSDOXNFU-KDOFPFPSSA-N 2 2 349.425 2.047 10 30 EEEELP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](CC)[NH2+]Cc1c(F)cccc1F ZINC001318539015 1332557244 /nfs/dbraw/zinc/55/72/44/1332557244.db2.gz YAIDMDQSDOXNFU-KDOFPFPSSA-N 2 2 349.425 2.047 10 30 EEEELP C=CCC[C@@H](C)[N@@H+]1C[C@@]2(C)CN(C(=O)Cn3cc[nH+]c3)C[C@@]2(C)C1 ZINC001330536947 1334866276 /nfs/dbraw/zinc/86/62/76/1334866276.db2.gz DFFLTNAGJNHTAJ-QRQLOZEOSA-N 2 2 330.476 2.408 10 30 EEEELP 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ZINC001568483524 1124540278 /nfs/dbraw/zinc/54/02/78/1124540278.db2.gz YFFAZCHJTRCSQW-HXUWFJFHSA-N 2 2 341.499 2.301 10 30 EEEELP CC(C)[NH+]1CCC[C@@H]1C(=O)N(C)CC[N@H+](C)CC#Cc1ccccc1 ZINC001568483524 1124540287 /nfs/dbraw/zinc/54/02/87/1124540287.db2.gz YFFAZCHJTRCSQW-HXUWFJFHSA-N 2 2 341.499 2.301 10 30 EEEELP CC(C)[NH+]1CCC[C@@H]1C(=O)N(C)CC[N@@H+](C)CC#Cc1ccccc1 ZINC001568483524 1124540289 /nfs/dbraw/zinc/54/02/89/1124540289.db2.gz YFFAZCHJTRCSQW-HXUWFJFHSA-N 2 2 341.499 2.301 10 30 EEEELP Cc1cc(C#N)ccc1C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000164040254 463613505 /nfs/dbraw/zinc/61/35/05/463613505.db2.gz OVHQQENPZXXZGA-UHFFFAOYSA-N 2 2 340.471 2.155 10 30 EEEELP CCN(CCC#N)C(=O)C[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282168165 464721263 /nfs/dbraw/zinc/72/12/63/464721263.db2.gz UWVDVMXVAHOTTN-INIZCTEOSA-N 2 2 343.475 2.161 10 30 EEEELP CCN(CCC#N)C(=O)C[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282168165 464721269 /nfs/dbraw/zinc/72/12/69/464721269.db2.gz UWVDVMXVAHOTTN-INIZCTEOSA-N 2 2 343.475 2.161 10 30 EEEELP C=CC[NH+]1CCC(NC(=O)[C@@H]2CCc3[nH+]c(C(C)C)[nH]c3C2)CC1 ZINC000364632907 466708686 /nfs/dbraw/zinc/70/86/86/466708686.db2.gz UYUQNMSVBKOJIT-CQSZACIVSA-N 2 2 330.476 2.405 10 30 EEEELP C=CC[NH+]1CCC(NC(=O)[C@@H]2CCc3[nH]c(C(C)C)[nH+]c3C2)CC1 ZINC000364632907 466708690 /nfs/dbraw/zinc/70/86/90/466708690.db2.gz UYUQNMSVBKOJIT-CQSZACIVSA-N 2 2 330.476 2.405 10 30 EEEELP C=CCn1cc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)nn1 ZINC000424293836 467023884 /nfs/dbraw/zinc/02/38/84/467023884.db2.gz JPWPEGLOZFDMEW-QFBILLFUSA-N 2 2 325.460 2.464 10 30 EEEELP C=CCn1cc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)nn1 ZINC000424293836 467023887 /nfs/dbraw/zinc/02/38/87/467023887.db2.gz JPWPEGLOZFDMEW-QFBILLFUSA-N 2 2 325.460 2.464 10 30 EEEELP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)C[NH+]2CCC(C#N)CC2)CC1 ZINC000104949486 534107823 /nfs/dbraw/zinc/10/78/23/534107823.db2.gz WGLSHPJEBBKVHZ-KRWDZBQOSA-N 2 2 340.471 2.127 10 30 EEEELP NC(=[NH+]OCC[C@@H]1CCCCO1)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000758761483 577630842 /nfs/dbraw/zinc/63/08/42/577630842.db2.gz LZTPLUVJBQELIM-SFHVURJKSA-N 2 2 347.459 2.115 10 30 EEEELP CCC[N@H+](C)CCC(=O)N(C)C[C@H]1CC[NH+]1CC#Cc1ccccc1 ZINC001691068124 1177508397 /nfs/dbraw/zinc/50/83/97/1177508397.db2.gz HRMBULNCAAZXQH-HXUWFJFHSA-N 2 2 341.499 2.303 10 30 EEEELP CCC[N@@H+](C)CCC(=O)N(C)C[C@H]1CC[NH+]1CC#Cc1ccccc1 ZINC001691068124 1177508400 /nfs/dbraw/zinc/50/84/00/1177508400.db2.gz HRMBULNCAAZXQH-HXUWFJFHSA-N 2 2 341.499 2.303 10 30 EEEELP CCC[NH+](C)CCC(=O)N(C)C[C@H]1CC[N@@H+]1CC#Cc1ccccc1 ZINC001691068124 1177508404 /nfs/dbraw/zinc/50/84/04/1177508404.db2.gz HRMBULNCAAZXQH-HXUWFJFHSA-N 2 2 341.499 2.303 10 30 EEEELP CCC[NH+](C)CCC(=O)N(C)C[C@H]1CC[N@H+]1CC#Cc1ccccc1 ZINC001691068124 1177508407 /nfs/dbraw/zinc/50/84/07/1177508407.db2.gz HRMBULNCAAZXQH-HXUWFJFHSA-N 2 2 341.499 2.303 10 30 EEEELP C=C(C)CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001267586483 1179553768 /nfs/dbraw/zinc/55/37/68/1179553768.db2.gz SNKADDLQTJCXKX-DLBZAZTESA-N 2 2 330.476 2.192 10 30 EEEELP C=C(C)CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001267586483 1179553772 /nfs/dbraw/zinc/55/37/72/1179553772.db2.gz SNKADDLQTJCXKX-DLBZAZTESA-N 2 2 330.476 2.192 10 30 EEEELP O=C(NCC1([NH2+]CC#Cc2ccccc2)CC1)c1cc2c[nH+]ccc2[nH]1 ZINC001670806990 1185489824 /nfs/dbraw/zinc/48/98/24/1185489824.db2.gz AJZOYIILPXJKAX-UHFFFAOYSA-N 2 2 344.418 2.467 10 30 EEEELP C=CC[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001271705562 1186385071 /nfs/dbraw/zinc/38/50/71/1186385071.db2.gz OVSVAPGVMNHDOG-NVXWUHKLSA-N 2 2 330.476 2.165 10 30 EEEELP C=CC[N@H+](C)CCC1CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC001271778147 1186477919 /nfs/dbraw/zinc/47/79/19/1186477919.db2.gz FGZUXOYMAYZBGJ-QGZVFWFLSA-N 2 2 330.476 2.192 10 30 EEEELP C=CC[N@@H+](C)CCC1CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC001271778147 1186477923 /nfs/dbraw/zinc/47/79/23/1186477923.db2.gz FGZUXOYMAYZBGJ-QGZVFWFLSA-N 2 2 330.476 2.192 10 30 EEEELP C=CCCC[N@H+]1CC[C@H](C2CCN(C(=O)Cc3c[nH+]cn3C)CC2)C1 ZINC001670918314 1193526227 /nfs/dbraw/zinc/52/62/27/1193526227.db2.gz IRIBXFXVVIVYLE-SFHVURJKSA-N 2 2 344.503 2.489 10 30 EEEELP C=CCCC[N@@H+]1CC[C@H](C2CCN(C(=O)Cc3c[nH+]cn3C)CC2)C1 ZINC001670918314 1193526229 /nfs/dbraw/zinc/52/62/29/1193526229.db2.gz IRIBXFXVVIVYLE-SFHVURJKSA-N 2 2 344.503 2.489 10 30 EEEELP C=CCC[NH2+][C@H]1CCCCCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001691625852 1188677064 /nfs/dbraw/zinc/67/70/64/1188677064.db2.gz OZSONNATHUFAKE-IRXDYDNUSA-N 2 2 330.476 2.382 10 30 EEEELP C=C(C)C[N@H+](CC)CC1CCN(C(=O)CCc2[nH+]ccn2C)CC1 ZINC001485030624 1191621098 /nfs/dbraw/zinc/62/10/98/1191621098.db2.gz IIBUAHZRTMPYRU-UHFFFAOYSA-N 2 2 332.492 2.489 10 30 EEEELP C=C(C)C[N@@H+](CC)CC1CCN(C(=O)CCc2[nH+]ccn2C)CC1 ZINC001485030624 1191621099 /nfs/dbraw/zinc/62/10/99/1191621099.db2.gz IIBUAHZRTMPYRU-UHFFFAOYSA-N 2 2 332.492 2.489 10 30 EEEELP C=C(Cl)C[N@H+]1CC[C@@H](N(CCC)C(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001493969301 1191791417 /nfs/dbraw/zinc/79/14/17/1191791417.db2.gz YZFURXUXGMIXTC-GOEBONIOSA-N 2 2 327.900 2.394 10 30 EEEELP C=C(Cl)C[N@@H+]1CC[C@@H](N(CCC)C(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001493969301 1191791419 /nfs/dbraw/zinc/79/14/19/1191791419.db2.gz YZFURXUXGMIXTC-GOEBONIOSA-N 2 2 327.900 2.394 10 30 EEEELP C=C(Cl)C[NH+]1CC[C@@H](N(CCC)C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001493969301 1191791424 /nfs/dbraw/zinc/79/14/24/1191791424.db2.gz YZFURXUXGMIXTC-GOEBONIOSA-N 2 2 327.900 2.394 10 30 EEEELP C#CCC[NH2+][C@@H]1CN(C(=O)Cc2cn3cccc(C)c3[nH+]2)CC1(C)C ZINC001486243965 1193770024 /nfs/dbraw/zinc/77/00/24/1193770024.db2.gz LPJVGBRYBSDILQ-QGZVFWFLSA-N 2 2 338.455 2.035 10 30 EEEELP C=C(Cl)C[NH2+]C[C@H]1CC[C@H](NC(=O)Cc2c[nH+]ccc2OC)C1 ZINC001410962332 1198636454 /nfs/dbraw/zinc/63/64/54/1198636454.db2.gz SLJSCTDRWOZAJT-ZFWWWQNUSA-N 2 2 337.851 2.260 10 30 EEEELP C=CCC[NH2+][C@H]1CN(C(=O)Cc2cn3cccc(C)c3[nH+]2)C[C@@H]1C ZINC001274271728 1204982013 /nfs/dbraw/zinc/98/20/13/1204982013.db2.gz XBSULMWAAMWPGH-RDJZCZTQSA-N 2 2 326.444 2.198 10 30 EEEELP C=CCOCC[N@H+]1CC[C@@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C[C@@H]1C ZINC001274634800 1205108093 /nfs/dbraw/zinc/10/80/93/1205108093.db2.gz RAJMTTINTISBIY-DLBZAZTESA-N 2 2 348.491 2.098 10 30 EEEELP C=CCOCC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C[C@@H]1C ZINC001274634800 1205108095 /nfs/dbraw/zinc/10/80/95/1205108095.db2.gz RAJMTTINTISBIY-DLBZAZTESA-N 2 2 348.491 2.098 10 30 EEEELP C=C(C)CC[NH2+][C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CC[C@H]1C(F)(F)F ZINC001279174871 1205283639 /nfs/dbraw/zinc/28/36/39/1205283639.db2.gz XBJTWGLZEJPIKT-OLZOCXBDSA-N 2 2 344.381 2.287 10 30 EEEELP C=CCCC[NH2+]CC1CC(NC(=O)c2cc([C@H]3CCC[N@H+]3C)n[nH]2)C1 ZINC001275233309 1205287210 /nfs/dbraw/zinc/28/72/10/1205287210.db2.gz WCUDYSBJORPVDK-JTTJXQCZSA-N 2 2 345.491 2.241 10 30 EEEELP C=CCCC[NH2+]CC1CC(NC(=O)c2cc([C@H]3CCC[N@@H+]3C)n[nH]2)C1 ZINC001275233309 1205287212 /nfs/dbraw/zinc/28/72/12/1205287212.db2.gz WCUDYSBJORPVDK-JTTJXQCZSA-N 2 2 345.491 2.241 10 30 EEEELP CC[C@H](C(=O)N[C@@H]1CCC[N@H+](CC#Cc2ccc(F)cc2)C1)[NH+](C)C ZINC001265230806 1322998355 /nfs/dbraw/zinc/99/83/55/1322998355.db2.gz MGCCOTJFYKVTRW-RTBURBONSA-N 2 2 345.462 2.098 10 30 EEEELP CC[C@H](C(=O)N[C@@H]1CCC[N@@H+](CC#Cc2ccc(F)cc2)C1)[NH+](C)C ZINC001265230806 1322998357 /nfs/dbraw/zinc/99/83/57/1322998357.db2.gz MGCCOTJFYKVTRW-RTBURBONSA-N 2 2 345.462 2.098 10 30 EEEELP C=CCC[C@@H](C)[NH+]1CCC(C2(NC(=O)[C@@H]3C[N@H+](C)CCO3)CC2)CC1 ZINC001284844739 1326740807 /nfs/dbraw/zinc/74/08/07/1326740807.db2.gz ZAUDQMRDWFTGGR-AEFFLSMTSA-N 2 2 349.519 2.033 10 30 EEEELP C=CCC[C@@H](C)[NH+]1CCC(C2(NC(=O)[C@@H]3C[N@@H+](C)CCO3)CC2)CC1 ZINC001284844739 1326740810 /nfs/dbraw/zinc/74/08/10/1326740810.db2.gz ZAUDQMRDWFTGGR-AEFFLSMTSA-N 2 2 349.519 2.033 10 30 EEEELP CC#CC[NH2+]Cc1ccc(CNC(=O)C(C)(C)n2c[nH+]c(C)c2)cc1 ZINC001318996583 1332634620 /nfs/dbraw/zinc/63/46/20/1332634620.db2.gz SPYCKWQHFVTLPD-UHFFFAOYSA-N 2 2 338.455 2.356 10 30 EEEELP C=CCC[C@H](C)[N@H+]1C[C@H]2CN(C(=O)Cc3c[nH+]ccc3OC)C[C@H]2C1 ZINC001325753459 1333953722 /nfs/dbraw/zinc/95/37/22/1333953722.db2.gz KIKWRPLUCAQXMF-RYQLBKOJSA-N 2 2 343.471 2.378 10 30 EEEELP C=CCC[C@H](C)[N@@H+]1C[C@H]2CN(C(=O)Cc3c[nH+]ccc3OC)C[C@H]2C1 ZINC001325753459 1333953726 /nfs/dbraw/zinc/95/37/26/1333953726.db2.gz KIKWRPLUCAQXMF-RYQLBKOJSA-N 2 2 343.471 2.378 10 30 EEEELP C[C@@H]([NH2+]CC#Cc1ccc(Cl)cc1)[C@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001329133080 1334591757 /nfs/dbraw/zinc/59/17/57/1334591757.db2.gz RJXRGJCKSXAVCA-KGLIPLIRSA-N 2 2 344.846 2.140 10 30 EEEELP C#CC[N@H+]1CCC[C@@H]1CCCNC(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001567254703 1342721672 /nfs/dbraw/zinc/72/16/72/1342721672.db2.gz PZYBIOGRUCPLTG-ROUUACIJSA-N 2 2 330.476 2.464 10 30 EEEELP C#CC[N@@H+]1CCC[C@@H]1CCCNC(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001567254703 1342721675 /nfs/dbraw/zinc/72/16/75/1342721675.db2.gz PZYBIOGRUCPLTG-ROUUACIJSA-N 2 2 330.476 2.464 10 30 EEEELP C#CC[N@H+]1CCC[C@H]1CCCNC(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001567254701 1342722243 /nfs/dbraw/zinc/72/22/43/1342722243.db2.gz PZYBIOGRUCPLTG-MSOLQXFVSA-N 2 2 330.476 2.464 10 30 EEEELP C#CC[N@@H+]1CCC[C@H]1CCCNC(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001567254701 1342722244 /nfs/dbraw/zinc/72/22/44/1342722244.db2.gz PZYBIOGRUCPLTG-MSOLQXFVSA-N 2 2 330.476 2.464 10 30 EEEELP C=CCC[NH2+][C@H](C)C1CCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC001567627846 1342796942 /nfs/dbraw/zinc/79/69/42/1342796942.db2.gz ZRFKIAYMNPNJAB-NVXWUHKLSA-N 2 2 330.476 2.238 10 30 EEEELP C#CCC[NH2+][C@@H](CNC(=O)c1cccc2[nH+]ccn21)c1ccccc1 ZINC001567660672 1342807374 /nfs/dbraw/zinc/80/73/74/1342807374.db2.gz GPOIPPVCTKBYTP-KRWDZBQOSA-N 2 2 332.407 2.418 10 30 EEEELP C=CCCC[NH+]1CC[C@](C)(NC(=O)c2cc([C@@H]3CCC[N@H+]3C)n[nH]2)C1 ZINC001569639348 1342914498 /nfs/dbraw/zinc/91/44/98/1342914498.db2.gz SBSPZEXCVRVDIS-HKUYNNGSSA-N 2 2 345.491 2.337 10 30 EEEELP C=CCCC[NH+]1CC[C@](C)(NC(=O)c2cc([C@@H]3CCC[N@@H+]3C)n[nH]2)C1 ZINC001569639348 1342914500 /nfs/dbraw/zinc/91/45/00/1342914500.db2.gz SBSPZEXCVRVDIS-HKUYNNGSSA-N 2 2 345.491 2.337 10 30 EEEELP C=CCCC[N@H+]1CC[C@](C)(NC(=O)c2cc([C@@H]3CCC[NH+]3C)n[nH]2)C1 ZINC001569639348 1342914504 /nfs/dbraw/zinc/91/45/04/1342914504.db2.gz SBSPZEXCVRVDIS-HKUYNNGSSA-N 2 2 345.491 2.337 10 30 EEEELP C=CCCC[N@@H+]1CC[C@](C)(NC(=O)c2cc([C@@H]3CCC[NH+]3C)n[nH]2)C1 ZINC001569639348 1342914508 /nfs/dbraw/zinc/91/45/08/1342914508.db2.gz SBSPZEXCVRVDIS-HKUYNNGSSA-N 2 2 345.491 2.337 10 30 EEEELP C=CCC[C@H](C)[N@H+](CCNC(=O)[C@H]1CCn2c[nH+]cc2C1)C1CC1 ZINC001663735612 1355024822 /nfs/dbraw/zinc/02/48/22/1355024822.db2.gz SQQGFRRWLSSCFP-HOTGVXAUSA-N 2 2 330.476 2.381 10 30 EEEELP C=CCC[C@H](C)[N@@H+](CCNC(=O)[C@H]1CCn2c[nH+]cc2C1)C1CC1 ZINC001663735612 1355024827 /nfs/dbraw/zinc/02/48/27/1355024827.db2.gz SQQGFRRWLSSCFP-HOTGVXAUSA-N 2 2 330.476 2.381 10 30 EEEELP C=CCCC[NH2+]C[C@@](C)(NC(=O)[C@@H]1CCc2c[nH+]cn2C1)C1CC1 ZINC001666004874 1355423241 /nfs/dbraw/zinc/42/32/41/1355423241.db2.gz KPJGEDUOCQNRRE-DNVCBOLYSA-N 2 2 330.476 2.286 10 30 EEEELP CN(CCC[NH2+]Cc1cccc(C#N)c1)C(=O)c1cccc2[nH+]ccn21 ZINC001699522239 1405371099 /nfs/dbraw/zinc/37/10/99/1405371099.db2.gz RNKNQKLGEIGZDU-UHFFFAOYSA-N 2 2 347.422 2.458 10 30 EEEELP C=CC[N@@H+]1CC[C@@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C(C)(C)C1 ZINC000940765689 779244788 /nfs/dbraw/zinc/24/47/88/779244788.db2.gz VFAXCDPBZIDAIX-MRXNPFEDSA-N 2 2 330.476 2.165 10 30 EEEELP C=CC[N@H+]1CC[C@@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C(C)(C)C1 ZINC000940765689 779244792 /nfs/dbraw/zinc/24/47/92/779244792.db2.gz VFAXCDPBZIDAIX-MRXNPFEDSA-N 2 2 330.476 2.165 10 30 EEEELP CC#CC[N@@H+]1CC[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C(C)(C)C1 ZINC000940837455 779387933 /nfs/dbraw/zinc/38/79/33/779387933.db2.gz UMXTVKSMHPOCEM-INIZCTEOSA-N 2 2 330.476 2.167 10 30 EEEELP CC#CC[N@H+]1CC[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C(C)(C)C1 ZINC000940837455 779387937 /nfs/dbraw/zinc/38/79/37/779387937.db2.gz UMXTVKSMHPOCEM-INIZCTEOSA-N 2 2 330.476 2.167 10 30 EEEELP C#C[C@@H]1CCC[N@@H+](CC(=O)N2CC[NH+]([C@H](C)c3ccccc3)CC2)C1 ZINC000847021972 790836477 /nfs/dbraw/zinc/83/64/77/790836477.db2.gz DJTBDLHMUSFPQD-RTBURBONSA-N 2 2 339.483 2.237 10 30 EEEELP C#C[C@@H]1CCC[N@H+](CC(=O)N2CC[NH+]([C@H](C)c3ccccc3)CC2)C1 ZINC000847021972 790836492 /nfs/dbraw/zinc/83/64/92/790836492.db2.gz DJTBDLHMUSFPQD-RTBURBONSA-N 2 2 339.483 2.237 10 30 EEEELP C=CCC[NH2+]C[C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1OCC ZINC001479537419 1098599631 /nfs/dbraw/zinc/59/96/31/1098599631.db2.gz QPHFUXCPCAWJGH-CRAIPNDOSA-N 2 2 342.443 2.206 10 30 EEEELP CCC[N@H+](C)CC(=O)N[C@H]1CC[NH+](Cc2ccc(C#N)c(F)c2)[C@@H]1C ZINC001479724989 1098821035 /nfs/dbraw/zinc/82/10/35/1098821035.db2.gz XZSGUAYGDFVLFM-KDOFPFPSSA-N 2 2 346.450 2.118 10 30 EEEELP CCC[N@@H+](C)CC(=O)N[C@H]1CC[NH+](Cc2ccc(C#N)c(F)c2)[C@@H]1C ZINC001479724989 1098821057 /nfs/dbraw/zinc/82/10/57/1098821057.db2.gz XZSGUAYGDFVLFM-KDOFPFPSSA-N 2 2 346.450 2.118 10 30 EEEELP CCC[NH+](C)CC(=O)N[C@H]1CC[N@H+](Cc2ccc(C#N)c(F)c2)[C@@H]1C ZINC001479724989 1098821072 /nfs/dbraw/zinc/82/10/72/1098821072.db2.gz XZSGUAYGDFVLFM-KDOFPFPSSA-N 2 2 346.450 2.118 10 30 EEEELP CCC[NH+](C)CC(=O)N[C@H]1CC[N@@H+](Cc2ccc(C#N)c(F)c2)[C@@H]1C ZINC001479724989 1098821079 /nfs/dbraw/zinc/82/10/79/1098821079.db2.gz XZSGUAYGDFVLFM-KDOFPFPSSA-N 2 2 346.450 2.118 10 30 EEEELP C=CCCC[NH+]1CCC(N(C)C(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC001479889495 1099264498 /nfs/dbraw/zinc/26/44/98/1099264498.db2.gz BYQNJOQFTWJPJR-INIZCTEOSA-N 2 2 330.476 2.335 10 30 EEEELP CC#CC[NH+]1CCC(N(CCC)C(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC001479992855 1099457055 /nfs/dbraw/zinc/45/70/55/1099457055.db2.gz CUEQJVIWFCMIIK-QGZVFWFLSA-N 2 2 342.487 2.172 10 30 EEEELP C=C(Cl)C[NH2+][C@H](CNC(=O)Cc1cn2c([nH+]1)CCCC2)C(C)C ZINC001444869603 1099872805 /nfs/dbraw/zinc/87/28/05/1099872805.db2.gz SWSSBVYGPLTHDV-OAHLLOKOSA-N 2 2 338.883 2.245 10 30 EEEELP C[C@H](C[NH2+]CC#Cc1cccc(Cl)c1)N(C)C(=O)Cn1cc[nH+]c1 ZINC001496241133 1100809216 /nfs/dbraw/zinc/80/92/16/1100809216.db2.gz ABIUDSMXIKVRFW-OAHLLOKOSA-N 2 2 344.846 2.025 10 30 EEEELP C=CCCC[N@@H+]1CC[C@H](CCNC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001494031174 1103392685 /nfs/dbraw/zinc/39/26/85/1103392685.db2.gz QNLSDMIXIMFLJO-IRXDYDNUSA-N 2 2 330.476 2.240 10 30 EEEELP C=CCCC[N@H+]1CC[C@H](CCNC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001494031174 1103392692 /nfs/dbraw/zinc/39/26/92/1103392692.db2.gz QNLSDMIXIMFLJO-IRXDYDNUSA-N 2 2 330.476 2.240 10 30 EEEELP C=C(C)C[N@@H+]1CCC[C@](C)(CNC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001500504855 1112895839 /nfs/dbraw/zinc/89/58/39/1112895839.db2.gz DGNLPLUOFTZHHM-QFBILLFUSA-N 2 2 330.476 2.240 10 30 EEEELP C=C(C)C[N@H+]1CCC[C@](C)(CNC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001500504855 1112895842 /nfs/dbraw/zinc/89/58/42/1112895842.db2.gz DGNLPLUOFTZHHM-QFBILLFUSA-N 2 2 330.476 2.240 10 30 EEEELP CN(CC[N@H+](C)CC#Cc1ccc(F)cc1)C(=O)[C@@H]1CCCC[NH+]1C ZINC001568487040 1124545299 /nfs/dbraw/zinc/54/52/99/1124545299.db2.gz PHRIAQDEQRQHCV-IBGZPJMESA-N 2 2 345.462 2.052 10 30 EEEELP CN(CC[N@@H+](C)CC#Cc1ccc(F)cc1)C(=O)[C@@H]1CCCC[NH+]1C ZINC001568487040 1124545307 /nfs/dbraw/zinc/54/53/07/1124545307.db2.gz PHRIAQDEQRQHCV-IBGZPJMESA-N 2 2 345.462 2.052 10 30 EEEELP CN(CC[NH+](C)CC#Cc1ccc(F)cc1)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001568487040 1124545315 /nfs/dbraw/zinc/54/53/15/1124545315.db2.gz PHRIAQDEQRQHCV-IBGZPJMESA-N 2 2 345.462 2.052 10 30 EEEELP CN(CC[NH+](C)CC#Cc1ccc(F)cc1)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001568487040 1124545323 /nfs/dbraw/zinc/54/53/23/1124545323.db2.gz PHRIAQDEQRQHCV-IBGZPJMESA-N 2 2 345.462 2.052 10 30 EEEELP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)c1ccc(C#N)cc1F ZINC000358564924 465195615 /nfs/dbraw/zinc/19/56/15/465195615.db2.gz YHRURONZUWASIA-RDTXWAMCSA-N 2 2 346.450 2.291 10 30 EEEELP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C)c1ccc(C#N)cc1F ZINC000358564924 465195618 /nfs/dbraw/zinc/19/56/18/465195618.db2.gz YHRURONZUWASIA-RDTXWAMCSA-N 2 2 346.450 2.291 10 30 EEEELP CC(C)(C[NH2+]CCS(=O)(=O)c1cccc(C#N)c1)C[NH+]1CCCC1 ZINC000580064858 468460213 /nfs/dbraw/zinc/46/02/13/468460213.db2.gz VTMZOJAOBUABAX-UHFFFAOYSA-N 2 2 349.500 2.044 10 30 EEEELP C=CC[C@H]1CC[N@H+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000625701698 470170513 /nfs/dbraw/zinc/17/05/13/470170513.db2.gz BPVRDOLVBDIFNS-SFHVURJKSA-N 2 2 327.472 2.229 10 30 EEEELP C=CC[C@H]1CC[N@@H+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000625701698 470170514 /nfs/dbraw/zinc/17/05/14/470170514.db2.gz BPVRDOLVBDIFNS-SFHVURJKSA-N 2 2 327.472 2.229 10 30 EEEELP C=CCCC(C)(C)CNC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000633042844 470329750 /nfs/dbraw/zinc/32/97/50/470329750.db2.gz UEYKTYRIIMARLR-INIZCTEOSA-N 2 2 336.524 2.447 10 30 EEEELP C=CCCC(C)(C)CNC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000633042844 470329753 /nfs/dbraw/zinc/32/97/53/470329753.db2.gz UEYKTYRIIMARLR-INIZCTEOSA-N 2 2 336.524 2.447 10 30 EEEELP N#CCc1ccc(OC[C@@H](O)C[NH2+]C[C@@H]2CC[N@@H+]2C2CCCC2)cc1 ZINC000600757215 485626242 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EEEELP C#CC[N@@H+]1CC[C@]2(NC(=O)[C@@H](CC(C)C)n3cc[nH+]c3)CCC[C@H]12 ZINC001284056210 1326384700 /nfs/dbraw/zinc/38/47/00/1326384700.db2.gz GAEMZVRVXDNILY-ZIFCJYIRSA-N 2 2 328.460 2.217 10 30 EEEELP C#CC[N@H+]1CC[C@]2(NC(=O)[C@@H](CC(C)C)n3cc[nH+]c3)CCC[C@H]12 ZINC001284056210 1326384704 /nfs/dbraw/zinc/38/47/04/1326384704.db2.gz GAEMZVRVXDNILY-ZIFCJYIRSA-N 2 2 328.460 2.217 10 30 EEEELP C=CCC[C@H](C)[N@H+](C)C[C@H]1CCCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001317038846 1332055062 /nfs/dbraw/zinc/05/50/62/1332055062.db2.gz HEIMVSOZILZNML-DLBZAZTESA-N 2 2 332.492 2.488 10 30 EEEELP C=CCC[C@H](C)[N@@H+](C)C[C@H]1CCCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001317038846 1332055064 /nfs/dbraw/zinc/05/50/64/1332055064.db2.gz HEIMVSOZILZNML-DLBZAZTESA-N 2 2 332.492 2.488 10 30 EEEELP C=CCCC[N@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001318471925 1332545951 /nfs/dbraw/zinc/54/59/51/1332545951.db2.gz GHQZIZVYDIOFIK-IAGOWNOFSA-N 2 2 330.476 2.335 10 30 EEEELP C=CCCC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001318471925 1332545955 /nfs/dbraw/zinc/54/59/55/1332545955.db2.gz GHQZIZVYDIOFIK-IAGOWNOFSA-N 2 2 330.476 2.335 10 30 EEEELP C#CCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)CCCn1cc[nH+]c1)C2 ZINC001327539754 1334311608 /nfs/dbraw/zinc/31/16/08/1334311608.db2.gz FBQWOFBEUHYABV-IBGZPJMESA-N 2 2 328.460 2.001 10 30 EEEELP C#CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CCCn1cc[nH+]c1)C2 ZINC001327539754 1334311612 /nfs/dbraw/zinc/31/16/12/1334311612.db2.gz FBQWOFBEUHYABV-IBGZPJMESA-N 2 2 328.460 2.001 10 30 EEEELP C[C@@H](NC(=O)Cc1c[nH]c[nH+]1)[C@@H](C)[NH2+]CC#Cc1ccc(Cl)cc1 ZINC001329133082 1334592425 /nfs/dbraw/zinc/59/24/25/1334592425.db2.gz RJXRGJCKSXAVCA-ZIAGYGMSSA-N 2 2 344.846 2.140 10 30 EEEELP C#CC[NH+]1CCC([NH2+]C[C@H](O)CO[C@@H]2CCCc3ccccc32)CC1 ZINC001353321945 1338237410 /nfs/dbraw/zinc/23/74/10/1338237410.db2.gz CENFVDUBFBPPAB-PZJWPPBQSA-N 2 2 342.483 2.129 10 30 EEEELP C=C(C)CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001676228347 1357123887 /nfs/dbraw/zinc/12/38/87/1357123887.db2.gz ODGUSSXBRFKYQE-AEFFLSMTSA-N 2 2 330.476 2.238 10 30 EEEELP C#CC[N@H+](CC(=O)N1CCC[NH+](Cc2ccc(C)cc2)CC1)C(C)C ZINC001660279436 1354430429 /nfs/dbraw/zinc/43/04/29/1354430429.db2.gz HQFLRCQYMJZQBO-UHFFFAOYSA-N 2 2 341.499 2.373 10 30 EEEELP C#CC[N@@H+](CC(=O)N1CCC[NH+](Cc2ccc(C)cc2)CC1)C(C)C ZINC001660279436 1354430431 /nfs/dbraw/zinc/43/04/31/1354430431.db2.gz HQFLRCQYMJZQBO-UHFFFAOYSA-N 2 2 341.499 2.373 10 30 EEEELP C#CC[NH+](CC(=O)N1CCC[N@H+](Cc2ccc(C)cc2)CC1)C(C)C ZINC001660279436 1354430432 /nfs/dbraw/zinc/43/04/32/1354430432.db2.gz HQFLRCQYMJZQBO-UHFFFAOYSA-N 2 2 341.499 2.373 10 30 EEEELP C#CC[NH+](CC(=O)N1CCC[N@@H+](Cc2ccc(C)cc2)CC1)C(C)C ZINC001660279436 1354430433 /nfs/dbraw/zinc/43/04/33/1354430433.db2.gz HQFLRCQYMJZQBO-UHFFFAOYSA-N 2 2 341.499 2.373 10 30 EEEELP C=C(C)C[NH2+]C[C@H]1CCCN(C(=O)[C@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC001661813966 1354701783 /nfs/dbraw/zinc/70/17/83/1354701783.db2.gz IPHFLLQHFXFFLA-IEBWSBKVSA-N 2 2 349.519 2.034 10 30 EEEELP C=C(C)C[NH2+]C[C@H]1CCCN(C(=O)[C@H]2COCC[N@H+]2C2CCCC2)C1 ZINC001661813966 1354701788 /nfs/dbraw/zinc/70/17/88/1354701788.db2.gz IPHFLLQHFXFFLA-IEBWSBKVSA-N 2 2 349.519 2.034 10 30 EEEELP CC#CC[N@H+](C)[C@H]1CCCN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001662844188 1354862963 /nfs/dbraw/zinc/86/29/63/1354862963.db2.gz DUIRIPRJILTXGL-ZWKOTPCHSA-N 2 2 330.476 2.416 10 30 EEEELP CC#CC[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001662844188 1354862968 /nfs/dbraw/zinc/86/29/68/1354862968.db2.gz DUIRIPRJILTXGL-ZWKOTPCHSA-N 2 2 330.476 2.416 10 30 EEEELP C=CC[NH2+]C[C@H](CC(C)C)NC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC001667111530 1355649953 /nfs/dbraw/zinc/64/99/53/1355649953.db2.gz BXPXCXLWOIZXLC-INIZCTEOSA-N 2 2 328.460 2.492 10 30 EEEELP CCO[C@@H](C[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1)C[NH+](C)C ZINC000922758322 801829042 /nfs/dbraw/zinc/82/90/42/801829042.db2.gz UPOKROIKGSEZAX-SFHVURJKSA-N 2 2 341.459 2.015 10 30 EEEELP C=C(Cl)C[N@@H+]1CC[C@H](CCNC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001437941895 1090535503 /nfs/dbraw/zinc/53/55/03/1090535503.db2.gz XJLZOXHOIJDXCN-GJZGRUSLSA-N 2 2 336.867 2.026 10 30 EEEELP C=C(Cl)C[N@H+]1CC[C@H](CCNC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001437941895 1090535506 /nfs/dbraw/zinc/53/55/06/1090535506.db2.gz XJLZOXHOIJDXCN-GJZGRUSLSA-N 2 2 336.867 2.026 10 30 EEEELP CN(CC[N@H+](C)Cc1cccc(C#N)c1)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001438926417 1091598527 /nfs/dbraw/zinc/59/85/27/1091598527.db2.gz DNYBZFQQMZGQIT-UHFFFAOYSA-N 2 2 339.443 2.149 10 30 EEEELP CN(CC[N@@H+](C)Cc1cccc(C#N)c1)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001438926417 1091598533 /nfs/dbraw/zinc/59/85/33/1091598533.db2.gz DNYBZFQQMZGQIT-UHFFFAOYSA-N 2 2 339.443 2.149 10 30 EEEELP C=C(C)CC[NH2+][C@H](CNC(=O)Cc1cn2c([nH+]1)CCCC2)C(C)C ZINC001496560056 1101161292 /nfs/dbraw/zinc/16/12/92/1101161292.db2.gz AVPSEKSHJVRJNV-QGZVFWFLSA-N 2 2 332.492 2.459 10 30 EEEELP C#CCN(C(=O)[C@@H]1CCn2cc[nH+]c2C1)C1CC[NH+](CC(C)C)CC1 ZINC001500042429 1112589952 /nfs/dbraw/zinc/58/99/52/1112589952.db2.gz XNLCHISNERXWFT-QGZVFWFLSA-N 2 2 342.487 2.028 10 30 EEEELP C=C(C)CC[NH+]1CC2(C1)CC[C@H](CNC(=O)C[C@H](C)n1cc[nH+]c1)O2 ZINC001502441711 1113685209 /nfs/dbraw/zinc/68/52/09/1113685209.db2.gz XELFEXOKEGZECL-DLBZAZTESA-N 2 2 346.475 2.150 10 30 EEEELP C=CCC[C@H](C)[N@@H+]1CCO[C@@]2(CCN(C(=O)CCc3c[nH]c[nH+]3)C2)C1 ZINC001506723109 1114833562 /nfs/dbraw/zinc/83/35/62/1114833562.db2.gz RHZAIFHJNBTYQT-LPHOPBHVSA-N 2 2 346.475 2.000 10 30 EEEELP C=CCC[C@H](C)[N@H+]1CCO[C@@]2(CCN(C(=O)CCc3c[nH]c[nH+]3)C2)C1 ZINC001506723109 1114833564 /nfs/dbraw/zinc/83/35/64/1114833564.db2.gz RHZAIFHJNBTYQT-LPHOPBHVSA-N 2 2 346.475 2.000 10 30 EEEELP C=CCC[C@H](C)[N@@H+]1CCO[C@@]2(CCN(C(=O)CCc3c[nH+]c[nH]3)C2)C1 ZINC001506723109 1114833565 /nfs/dbraw/zinc/83/35/65/1114833565.db2.gz RHZAIFHJNBTYQT-LPHOPBHVSA-N 2 2 346.475 2.000 10 30 EEEELP C=CCC[C@H](C)[N@H+]1CCO[C@@]2(CCN(C(=O)CCc3c[nH+]c[nH]3)C2)C1 ZINC001506723109 1114833567 /nfs/dbraw/zinc/83/35/67/1114833567.db2.gz RHZAIFHJNBTYQT-LPHOPBHVSA-N 2 2 346.475 2.000 10 30 EEEELP C#CC[NH+]1CCC(CCNC(=O)[C@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001568127038 1124317610 /nfs/dbraw/zinc/31/76/10/1124317610.db2.gz YIVQWRVJSWQCIZ-SFHVURJKSA-N 2 2 330.476 2.322 10 30 EEEELP C=CCS(=O)(=O)CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000272883994 201259840 /nfs/dbraw/zinc/25/98/40/201259840.db2.gz RCWLSDVBQFAHDF-SJLPKXTDSA-N 2 2 336.501 2.087 10 30 EEEELP C=CCS(=O)(=O)CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000272883994 201259843 /nfs/dbraw/zinc/25/98/43/201259843.db2.gz RCWLSDVBQFAHDF-SJLPKXTDSA-N 2 2 336.501 2.087 10 30 EEEELP N#Cc1ccc([C@@H]([NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)C(N)=O)cc1 ZINC000115595838 152033804 /nfs/dbraw/zinc/03/38/04/152033804.db2.gz JGEVDKPKVXCMSF-HXUWFJFHSA-N 2 2 348.450 2.470 10 30 EEEELP Cc1cn2c([nH+]1)[C@H](C[NH+]=C([O-])N1CCC[C@@H]1Cn1cc[nH+]c1)CCC2 ZINC000328638033 465083558 /nfs/dbraw/zinc/08/35/58/465083558.db2.gz BETZYCRHSDRDMX-JKSUJKDBSA-N 2 2 342.447 2.344 10 30 EEEELP C=CC[N@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)Cc1cccs1 ZINC000064507949 462708301 /nfs/dbraw/zinc/70/83/01/462708301.db2.gz VQCLPKVJHHVYOK-UHFFFAOYSA-N 2 2 333.501 2.479 10 30 EEEELP C=CC[N@@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)Cc1cccs1 ZINC000064507949 462708307 /nfs/dbraw/zinc/70/83/07/462708307.db2.gz VQCLPKVJHHVYOK-UHFFFAOYSA-N 2 2 333.501 2.479 10 30 EEEELP CCN(CCC#N)C(=O)C[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000112731337 463706417 /nfs/dbraw/zinc/70/64/17/463706417.db2.gz UHYIINZZGUXGHA-GOSISDBHSA-N 2 2 334.508 2.337 10 30 EEEELP CCN(CCC#N)C(=O)C[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000112731337 463706418 /nfs/dbraw/zinc/70/64/18/463706418.db2.gz UHYIINZZGUXGHA-GOSISDBHSA-N 2 2 334.508 2.337 10 30 EEEELP C[NH+]1CCC([NH+]2CCC(Nc3ccc(C#N)c([N+](=O)[O-])c3)CC2)CC1 ZINC000357230186 465875691 /nfs/dbraw/zinc/87/56/91/465875691.db2.gz NPWGNECSNZWYCF-UHFFFAOYSA-N 2 2 343.431 2.437 10 30 EEEELP N#CCCCOc1cccc(C[NH+]2CCC([N@@H+]3CC[C@@H](O)C3)CC2)c1 ZINC000597235201 468490578 /nfs/dbraw/zinc/49/05/78/468490578.db2.gz FURREXGKKOEBMF-LJQANCHMSA-N 2 2 343.471 2.400 10 30 EEEELP N#CCCCOc1cccc(C[NH+]2CCC([N@H+]3CC[C@@H](O)C3)CC2)c1 ZINC000597235201 468490584 /nfs/dbraw/zinc/49/05/84/468490584.db2.gz FURREXGKKOEBMF-LJQANCHMSA-N 2 2 343.471 2.400 10 30 EEEELP CC(C)C[NH+]1CCC([NH2+]CCS(=O)(=O)c2cccc(C#N)c2)CC1 ZINC000518168576 468107689 /nfs/dbraw/zinc/10/76/89/468107689.db2.gz ITAPSDLCCOHDTI-UHFFFAOYSA-N 2 2 349.500 2.042 10 30 EEEELP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000567986089 468250967 /nfs/dbraw/zinc/25/09/67/468250967.db2.gz IYPYZAZTHJUQGO-NUJGCVRESA-N 2 2 344.415 2.150 10 30 EEEELP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000567986089 468250970 /nfs/dbraw/zinc/25/09/70/468250970.db2.gz IYPYZAZTHJUQGO-NUJGCVRESA-N 2 2 344.415 2.150 10 30 EEEELP CO[C@@H](C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)[C@H]1CCOC1 ZINC000594953562 468729844 /nfs/dbraw/zinc/72/98/44/468729844.db2.gz UWUCRSYMALJZPW-ICSRJNTNSA-N 2 2 343.471 2.164 10 30 EEEELP C=CCCC[N@@H+](C)C[C@@H](O)C[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000754041529 577799097 /nfs/dbraw/zinc/79/90/97/577799097.db2.gz BKROKQVUYOYRGW-LJQANCHMSA-N 2 2 347.503 2.076 10 30 EEEELP C=CCCC[N@H+](C)C[C@@H](O)C[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000754041529 577799098 /nfs/dbraw/zinc/79/90/98/577799098.db2.gz BKROKQVUYOYRGW-LJQANCHMSA-N 2 2 347.503 2.076 10 30 EEEELP C[NH+]1CCN(c2ncc(C=[NH+]Nc3cccc4ncccc43)cn2)CC1 ZINC000755652219 577828576 /nfs/dbraw/zinc/82/85/76/577828576.db2.gz SWKFUGCQSIEDNR-UHFFFAOYSA-N 2 2 347.426 2.223 10 30 EEEELP C#CC[NH+]1CCN(C(=O)C[N@@H+](C)[C@@H](c2ccccc2C)C(C)C)CC1 ZINC000748818236 577967569 /nfs/dbraw/zinc/96/75/69/577967569.db2.gz SJQHHFJCZKZLSY-OAQYLSRUSA-N 2 2 341.499 2.401 10 30 EEEELP C#CC[NH+]1CCN(C(=O)C[N@H+](C)[C@@H](c2ccccc2C)C(C)C)CC1 ZINC000748818236 577967570 /nfs/dbraw/zinc/96/75/70/577967570.db2.gz SJQHHFJCZKZLSY-OAQYLSRUSA-N 2 2 341.499 2.401 10 30 EEEELP C[C@H]1CN(C(=[NH2+])NCc2c(Cl)cccc2-n2cc[nH+]c2)CCO1 ZINC000263214416 689489497 /nfs/dbraw/zinc/48/94/97/689489497.db2.gz ZQFGIAYLXZVRPA-LBPRGKRZSA-N 2 2 333.823 2.061 10 30 EEEELP C#CCC[NH+]1CCC(N(CCC)C(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC001266388785 1176462168 /nfs/dbraw/zinc/46/21/68/1176462168.db2.gz RBPQZFDTFPQIIL-KRWDZBQOSA-N 2 2 342.487 2.172 10 30 EEEELP CN(CC[NH2+]CC#Cc1ccccc1)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001266743972 1177336334 /nfs/dbraw/zinc/33/63/34/1177336334.db2.gz MGCICAIGPSYSEN-UHFFFAOYSA-N 2 2 332.407 2.276 10 30 EEEELP C[C@@H](CCNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1)[NH2+]CC#Cc1ccccc1 ZINC001267149351 1178327193 /nfs/dbraw/zinc/32/71/93/1178327193.db2.gz RWLDPQTYHXDGKO-IRXDYDNUSA-N 2 2 338.455 2.124 10 30 EEEELP C[C@@H](CCNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1)[NH2+]CC#Cc1ccccc1 ZINC001267149351 1178327200 /nfs/dbraw/zinc/32/72/00/1178327200.db2.gz RWLDPQTYHXDGKO-IRXDYDNUSA-N 2 2 338.455 2.124 10 30 EEEELP CC(C)[N@@H+](CC#Cc1ccccc1)CCCNC(=O)Cc1c[nH]c[nH+]1 ZINC001267324667 1178758626 /nfs/dbraw/zinc/75/86/26/1178758626.db2.gz PPTIUJZIINVUGU-UHFFFAOYSA-N 2 2 338.455 2.221 10 30 EEEELP CC(C)[N@H+](C)CC(=O)NC[C@@H]1CCC[NH+]1Cc1ccc(C#N)cc1F ZINC001481072264 1179675607 /nfs/dbraw/zinc/67/56/07/1179675607.db2.gz WQNGKIGJEQMDKU-KRWDZBQOSA-N 2 2 346.450 2.118 10 30 EEEELP CC(C)[N@@H+](C)CC(=O)NC[C@@H]1CCC[NH+]1Cc1ccc(C#N)cc1F ZINC001481072264 1179675610 /nfs/dbraw/zinc/67/56/10/1179675610.db2.gz WQNGKIGJEQMDKU-KRWDZBQOSA-N 2 2 346.450 2.118 10 30 EEEELP CC(C)[NH+](C)CC(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccc(C#N)cc1F ZINC001481072264 1179675613 /nfs/dbraw/zinc/67/56/13/1179675613.db2.gz WQNGKIGJEQMDKU-KRWDZBQOSA-N 2 2 346.450 2.118 10 30 EEEELP CC(C)[NH+](C)CC(=O)NC[C@@H]1CCC[N@H+]1Cc1ccc(C#N)cc1F ZINC001481072264 1179675618 /nfs/dbraw/zinc/67/56/18/1179675618.db2.gz WQNGKIGJEQMDKU-KRWDZBQOSA-N 2 2 346.450 2.118 10 30 EEEELP CC[C@H](C(=O)NCC1C[NH+](CC#Cc2cccc(Cl)c2)C1)[NH+](C)C ZINC001268843306 1183760584 /nfs/dbraw/zinc/76/05/84/1183760584.db2.gz GQEJXVCNROVDAU-GOSISDBHSA-N 2 2 347.890 2.080 10 30 EEEELP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H](C)CC[NH2+]Cc1ccccc1C#N ZINC001482878982 1187797457 /nfs/dbraw/zinc/79/74/57/1187797457.db2.gz VWKKLLSZOYQYFF-CABCVRRESA-N 2 2 339.443 2.145 10 30 EEEELP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H](C)CC[NH2+]Cc1ccccc1C#N ZINC001482878982 1187797460 /nfs/dbraw/zinc/79/74/60/1187797460.db2.gz VWKKLLSZOYQYFF-CABCVRRESA-N 2 2 339.443 2.145 10 30 EEEELP CC#CC[NH2+][C@H]1CCN(C(=O)Cc2cn3c([nH+]2)CCCC3)C[C@H]1CC ZINC001483615420 1190591868 /nfs/dbraw/zinc/59/18/68/1190591868.db2.gz MRUNHTREOFHGOY-AEFFLSMTSA-N 2 2 342.487 2.002 10 30 EEEELP C=C(C)CC[NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001485037935 1191627364 /nfs/dbraw/zinc/62/73/64/1191627364.db2.gz NSBOFTAMBKHGSI-IRXDYDNUSA-N 2 2 330.476 2.382 10 30 EEEELP CCCCCCC[NH2+]C[C@H]1CCCCN1C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001272944485 1193916269 /nfs/dbraw/zinc/91/62/69/1193916269.db2.gz HVHIJCAMSJOPFY-QZTJIDSGSA-N 2 2 339.524 2.258 10 30 EEEELP CCCCCCC[NH2+]C[C@H]1CCCCN1C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001272944485 1193916271 /nfs/dbraw/zinc/91/62/71/1193916271.db2.gz HVHIJCAMSJOPFY-QZTJIDSGSA-N 2 2 339.524 2.258 10 30 EEEELP CC(C)(C)[C@@H](C[NH2+]CC#Cc1ccccc1)NC(=O)Cn1cc[nH+]c1 ZINC001486423906 1193937666 /nfs/dbraw/zinc/93/76/66/1193937666.db2.gz XEUXEBZJPXINIM-GOSISDBHSA-N 2 2 338.455 2.055 10 30 EEEELP C=C(Cl)C[NH2+]C[C@@H]1CC[C@H](NC(=O)Cc2c[nH+]ccc2OC)C1 ZINC001410962314 1198636499 /nfs/dbraw/zinc/63/64/99/1198636499.db2.gz SLJSCTDRWOZAJT-HIFRSBDPSA-N 2 2 337.851 2.260 10 30 EEEELP C#CC[N@@H+](C)CCCNC(=O)Nc1ccc2c(cc[nH+]c2N(C)C)c1 ZINC000931591819 1207421011 /nfs/dbraw/zinc/42/10/11/1207421011.db2.gz QFTBRHZZDYGTPG-UHFFFAOYSA-N 2 2 339.443 2.377 10 30 EEEELP C#CC[N@H+](C)CCCNC(=O)Nc1ccc2c(cc[nH+]c2N(C)C)c1 ZINC000931591819 1207421013 /nfs/dbraw/zinc/42/10/13/1207421013.db2.gz QFTBRHZZDYGTPG-UHFFFAOYSA-N 2 2 339.443 2.377 10 30 EEEELP C#CC[NH+]1CCCC[C@H]1CNC(=O)[C@@H](c1ccccc1)[N@@H+](C)CC ZINC001491229587 1258818293 /nfs/dbraw/zinc/81/82/93/1258818293.db2.gz IRNAUXFNRNBPOH-RBUKOAKNSA-N 2 2 327.472 2.283 10 30 EEEELP C#CC[NH+]1CCCC[C@H]1CNC(=O)[C@@H](c1ccccc1)[N@H+](C)CC ZINC001491229587 1258818298 /nfs/dbraw/zinc/81/82/98/1258818298.db2.gz IRNAUXFNRNBPOH-RBUKOAKNSA-N 2 2 327.472 2.283 10 30 EEEELP C#CC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H](c1ccccc1)[NH+](C)CC ZINC001491229587 1258818304 /nfs/dbraw/zinc/81/83/04/1258818304.db2.gz IRNAUXFNRNBPOH-RBUKOAKNSA-N 2 2 327.472 2.283 10 30 EEEELP C#CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H](c1ccccc1)[NH+](C)CC ZINC001491229587 1258818313 /nfs/dbraw/zinc/81/83/13/1258818313.db2.gz IRNAUXFNRNBPOH-RBUKOAKNSA-N 2 2 327.472 2.283 10 30 EEEELP C=C(C)C[NH2+]CC[C@@H]1CCCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001267889105 1276765833 /nfs/dbraw/zinc/76/58/33/1276765833.db2.gz ZSVCPMVZYLZZPK-DLBZAZTESA-N 2 2 330.476 2.240 10 30 EEEELP C#CCC[NH2+]C1(CC)CCN(C(=O)Cc2c[nH+]ccc2OC)CC1 ZINC001273763499 1285053859 /nfs/dbraw/zinc/05/38/59/1285053859.db2.gz XENFWZFMGBWYHY-UHFFFAOYSA-N 2 2 329.444 2.017 10 30 EEEELP C#CCC[NH2+][C@H](C)[C@H]1CCCCN1C(=O)Cc1c[nH+]ccc1OC ZINC001490296697 1291133370 /nfs/dbraw/zinc/13/33/70/1291133370.db2.gz YVQZZBLRLPDNTP-NVXWUHKLSA-N 2 2 329.444 2.015 10 30 EEEELP C=C(C)C[N@@H+]1CCC[C@@H]2[C@H](NC(=O)CCn3cc[nH+]c3)C(C)(C)[C@H]21 ZINC001264029838 1322590211 /nfs/dbraw/zinc/59/02/11/1322590211.db2.gz JXVLTQPJBSOBID-NJAFHUGGSA-N 2 2 330.476 2.455 10 30 EEEELP C=C(C)C[N@H+]1CCC[C@@H]2[C@H](NC(=O)CCn3cc[nH+]c3)C(C)(C)[C@H]21 ZINC001264029838 1322590213 /nfs/dbraw/zinc/59/02/13/1322590213.db2.gz JXVLTQPJBSOBID-NJAFHUGGSA-N 2 2 330.476 2.455 10 30 EEEELP C=C(C)C[NH2+]C[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CC[C@@H]1C(F)(F)F ZINC001264594585 1322745403 /nfs/dbraw/zinc/74/54/03/1322745403.db2.gz NAUVGYUYEHFETH-JSGCOSHPSA-N 2 2 344.381 2.145 10 30 EEEELP C#CCC[N@@H+](CCCNC(=O)c1ccc(-n2cc[nH+]c2)cc1)C1CC1 ZINC001265170046 1322964079 /nfs/dbraw/zinc/96/40/79/1322964079.db2.gz MDEZRDRVWHMERR-UHFFFAOYSA-N 2 2 336.439 2.480 10 30 EEEELP C#CCC[N@H+](CCCNC(=O)c1ccc(-n2cc[nH+]c2)cc1)C1CC1 ZINC001265170046 1322964081 /nfs/dbraw/zinc/96/40/81/1322964081.db2.gz MDEZRDRVWHMERR-UHFFFAOYSA-N 2 2 336.439 2.480 10 30 EEEELP C=C(C)CC[NH+]1CCC(C2(NC(=O)Cc3c[nH+]cn3C)CC2)CC1 ZINC001279368074 1323886835 /nfs/dbraw/zinc/88/68/35/1323886835.db2.gz HDCPBHNHHVSWKP-UHFFFAOYSA-N 2 2 330.476 2.290 10 30 EEEELP CC#CC[NH2+]CC[C@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001280140095 1324094749 /nfs/dbraw/zinc/09/47/49/1324094749.db2.gz MANVAMXWEUJRIU-KRWDZBQOSA-N 2 2 336.439 2.337 10 30 EEEELP C=CCCC[N@@H+]1C[C@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)C(C)(C)C1 ZINC001276593080 1324684039 /nfs/dbraw/zinc/68/40/39/1324684039.db2.gz FVWNPJHHFVMXHJ-WBVHZDCISA-N 2 2 330.476 2.238 10 30 EEEELP C=CCCC[N@H+]1C[C@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)C(C)(C)C1 ZINC001276593080 1324684045 /nfs/dbraw/zinc/68/40/45/1324684045.db2.gz FVWNPJHHFVMXHJ-WBVHZDCISA-N 2 2 330.476 2.238 10 30 EEEELP C=CCC[C@H](C)[N@H+]1C[C@@H]2[C@@H](CNC(=O)Cc3c[nH+]ccc3OC)[C@@H]2C1 ZINC001282859811 1325809936 /nfs/dbraw/zinc/80/99/36/1325809936.db2.gz DLOSYLUJWQOURW-LEUOFYLZSA-N 2 2 343.471 2.281 10 30 EEEELP C=CCC[C@H](C)[N@@H+]1C[C@@H]2[C@@H](CNC(=O)Cc3c[nH+]ccc3OC)[C@@H]2C1 ZINC001282859811 1325809939 /nfs/dbraw/zinc/80/99/39/1325809939.db2.gz DLOSYLUJWQOURW-LEUOFYLZSA-N 2 2 343.471 2.281 10 30 EEEELP C=CCC[C@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH+]cn3C)C[C@@H]2C1 ZINC001316758885 1331876072 /nfs/dbraw/zinc/87/60/72/1331876072.db2.gz PQUZOQFWQXNMJT-BBWFWOEESA-N 2 2 330.476 2.098 10 30 EEEELP C=CCC[C@H](C)[N@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH+]cn3C)C[C@@H]2C1 ZINC001316758885 1331876073 /nfs/dbraw/zinc/87/60/73/1331876073.db2.gz PQUZOQFWQXNMJT-BBWFWOEESA-N 2 2 330.476 2.098 10 30 EEEELP C=C(C)C[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)Cn1c[nH+]cc1C ZINC001328470547 1334464408 /nfs/dbraw/zinc/46/44/08/1334464408.db2.gz XMJGBMMNJIYJJP-LJQANCHMSA-N 2 2 338.455 2.483 10 30 EEEELP C=C(C)C[N@H+]1CCc2ccccc2[C@H]1CNC(=O)Cn1c[nH+]cc1C ZINC001328470547 1334464410 /nfs/dbraw/zinc/46/44/10/1334464410.db2.gz XMJGBMMNJIYJJP-LJQANCHMSA-N 2 2 338.455 2.483 10 30 EEEELP C=CCC[N@@H+](C)C[C@@H]1CCCN1C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001328736869 1334510958 /nfs/dbraw/zinc/51/09/58/1334510958.db2.gz LJKGUDHMCONZRO-KRWDZBQOSA-N 2 2 330.476 2.261 10 30 EEEELP C=CCC[N@H+](C)C[C@@H]1CCCN1C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001328736869 1334510960 /nfs/dbraw/zinc/51/09/60/1334510960.db2.gz LJKGUDHMCONZRO-KRWDZBQOSA-N 2 2 330.476 2.261 10 30 EEEELP C=C(C)CC[NH2+]CC1(NC(=O)c2cccc3[nH+]ccn32)CCOCC1 ZINC001502631723 1342217743 /nfs/dbraw/zinc/21/77/43/1342217743.db2.gz IAVUYKIACJXEED-UHFFFAOYSA-N 2 2 342.443 2.169 10 30 EEEELP C#CCC[N@H+]1CC[C@H](NC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)[C@H]1CC ZINC001656716625 1354267946 /nfs/dbraw/zinc/26/79/46/1354267946.db2.gz IJJAOIBIPWQYJE-RCCFBDPRSA-N 2 2 330.476 2.463 10 30 EEEELP C#CCC[N@@H+]1CC[C@H](NC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)[C@H]1CC ZINC001656716625 1354267948 /nfs/dbraw/zinc/26/79/48/1354267948.db2.gz IJJAOIBIPWQYJE-RCCFBDPRSA-N 2 2 330.476 2.463 10 30 EEEELP CC#CC[NH+]1CCC(N(CCC)C(=O)CCc2c[nH+]cn2C)CC1 ZINC001661096755 1354590768 /nfs/dbraw/zinc/59/07/68/1354590768.db2.gz CCDVXZIGMLIEMW-UHFFFAOYSA-N 2 2 330.476 2.079 10 30 EEEELP C=C(Cl)C[N@@H+](CCCNC(=O)[C@@H]1CCc2[nH+]ccn2C1)C(C)C ZINC001664516625 1355183982 /nfs/dbraw/zinc/18/39/82/1355183982.db2.gz IIQAVPQXNLDCDB-OAHLLOKOSA-N 2 2 338.883 2.415 10 30 EEEELP C=C(Cl)C[N@H+](CCCNC(=O)[C@@H]1CCc2[nH+]ccn2C1)C(C)C ZINC001664516625 1355183984 /nfs/dbraw/zinc/18/39/84/1355183984.db2.gz IIQAVPQXNLDCDB-OAHLLOKOSA-N 2 2 338.883 2.415 10 30 EEEELP C#CC[N@@H+](C)CCCNC(=O)N[C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC001681598046 1358038500 /nfs/dbraw/zinc/03/85/00/1358038500.db2.gz MPPLGSOGACJHRU-INIZCTEOSA-N 2 2 339.443 2.188 10 30 EEEELP C#CC[N@H+](C)CCCNC(=O)N[C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC001681598046 1358038503 /nfs/dbraw/zinc/03/85/03/1358038503.db2.gz MPPLGSOGACJHRU-INIZCTEOSA-N 2 2 339.443 2.188 10 30 EEEELP C#CCN(C(=O)CCCn1cc[nH+]c1)C1CC[NH+](CCC2CC2)CC1 ZINC001699789095 1405486359 /nfs/dbraw/zinc/48/63/59/1405486359.db2.gz LBYSLOAGFJDPTF-UHFFFAOYSA-N 2 2 342.487 2.390 10 30 EEEELP C[N@@H+](CC#Cc1ccc(Cl)cc1)CCCNC(=O)Cc1[nH]cc[nH+]1 ZINC001566503496 1125671278 /nfs/dbraw/zinc/67/12/78/1125671278.db2.gz YIAMITLKQWPGCT-UHFFFAOYSA-N 2 2 344.846 2.095 10 30 EEEELP C[N@H+](CC#Cc1ccc(Cl)cc1)CCCNC(=O)Cc1[nH]cc[nH+]1 ZINC001566503496 1125671281 /nfs/dbraw/zinc/67/12/81/1125671281.db2.gz YIAMITLKQWPGCT-UHFFFAOYSA-N 2 2 344.846 2.095 10 30 EEEELP CC[C@H](C(=O)N(C)[C@@H]1CC[N@H+](Cc2cc(C#N)ccc2F)C1)[NH+](C)C ZINC001438251870 1090734782 /nfs/dbraw/zinc/73/47/82/1090734782.db2.gz ZRVUVLQOYRMXGL-SJLPKXTDSA-N 2 2 346.450 2.070 10 30 EEEELP CC[C@H](C(=O)N(C)[C@@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)C1)[NH+](C)C ZINC001438251870 1090734784 /nfs/dbraw/zinc/73/47/84/1090734784.db2.gz ZRVUVLQOYRMXGL-SJLPKXTDSA-N 2 2 346.450 2.070 10 30 EEEELP C=C(Cl)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CCCn1cc[nH+]c1 ZINC001440201683 1093273154 /nfs/dbraw/zinc/27/31/54/1093273154.db2.gz MGOAIFBJKLHUKI-JKSUJKDBSA-N 2 2 336.867 2.481 10 30 EEEELP C=C(Cl)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CCCn1cc[nH+]c1 ZINC001440201683 1093273157 /nfs/dbraw/zinc/27/31/57/1093273157.db2.gz MGOAIFBJKLHUKI-JKSUJKDBSA-N 2 2 336.867 2.481 10 30 EEEELP C=C(Cl)C[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)C[N@@H+](C)C(C)C ZINC001440721611 1093964829 /nfs/dbraw/zinc/96/48/29/1093964829.db2.gz PVITYVMWTPFAPQ-SJLPKXTDSA-N 2 2 335.879 2.451 10 30 EEEELP C=C(Cl)C[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)C[N@H+](C)C(C)C ZINC001440721611 1093964832 /nfs/dbraw/zinc/96/48/32/1093964832.db2.gz PVITYVMWTPFAPQ-SJLPKXTDSA-N 2 2 335.879 2.451 10 30 EEEELP C=C(C)CC[N@@H+](C)C[C@@H]1CCN(C(=O)Cc2c[nH+]ccc2OC)C1 ZINC001494146528 1103601288 /nfs/dbraw/zinc/60/12/88/1103601288.db2.gz UPWWBMKKFPAWDA-INIZCTEOSA-N 2 2 331.460 2.379 10 30 EEEELP C=C(C)CC[N@H+](C)C[C@@H]1CCN(C(=O)Cc2c[nH+]ccc2OC)C1 ZINC001494146528 1103601300 /nfs/dbraw/zinc/60/13/00/1103601300.db2.gz UPWWBMKKFPAWDA-INIZCTEOSA-N 2 2 331.460 2.379 10 30 EEEELP C#CCN(C(=O)Cn1cc[nH+]c1)C1CC[NH+](CCC2CCCC2)CC1 ZINC001500059794 1112597439 /nfs/dbraw/zinc/59/74/39/1112597439.db2.gz IAULWVKBVFONPR-UHFFFAOYSA-N 2 2 342.487 2.390 10 30 EEEELP CC#CC[NH2+]C[C@H]1CC[C@H](NC(=O)Cc2cn3cccc(C)c3[nH+]2)C1 ZINC001507414183 1115257650 /nfs/dbraw/zinc/25/76/50/1115257650.db2.gz IFDDFFIEBHSPIN-IRXDYDNUSA-N 2 2 338.455 2.083 10 30 EEEELP C#CC[NH2+]C1(CNC(=O)C(C)(C)C)CC[NH+](Cc2ccccc2)CC1 ZINC001508094765 1115418470 /nfs/dbraw/zinc/41/84/70/1115418470.db2.gz XQQVTKCHWIPSJS-UHFFFAOYSA-N 2 2 341.499 2.406 10 30 EEEELP O=C(NCc1cccc(-n2cc[nH+]c2)c1)N1CC[NH+](C2CC2)CC1 ZINC000329486482 539774731 /nfs/dbraw/zinc/77/47/31/539774731.db2.gz XKCDJYKCEGZCFC-UHFFFAOYSA-N 2 2 325.416 2.066 10 30 EEEELP N#Cc1ccc2ncc(C[NH2+]C3CC[NH+](Cc4ccncc4)CC3)n2c1 ZINC000172338785 464057550 /nfs/dbraw/zinc/05/75/50/464057550.db2.gz OTLHQFUCAMBOHD-UHFFFAOYSA-N 2 2 346.438 2.355 10 30 EEEELP N#CCCCC[C@H]([NH3+])C(=O)N1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000594446120 468591575 /nfs/dbraw/zinc/59/15/75/468591575.db2.gz PMCGYWFOVSRTHT-KRWDZBQOSA-N 2 2 348.878 2.395 10 30 EEEELP COC[C@H](CC[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)OC ZINC000594954980 468730939 /nfs/dbraw/zinc/73/09/39/468730939.db2.gz JBWWVMWRFHZRMS-IBGZPJMESA-N 2 2 331.460 2.164 10 30 EEEELP N#Cc1cccc(C[NH+]2CCC([NH2+]Cc3cn4cccnc4n3)CC2)c1 ZINC000593696288 469098585 /nfs/dbraw/zinc/09/85/85/469098585.db2.gz ZVQKXSCWHYTMOZ-UHFFFAOYSA-N 2 2 346.438 2.355 10 30 EEEELP N#CC1(C[C@@H](O)C[NH+]2CCC([NH+]3CCCCC3)CC2)CCOCC1 ZINC000599262901 469181978 /nfs/dbraw/zinc/18/19/78/469181978.db2.gz BOXFBKSJIYCKRJ-GOSISDBHSA-N 2 2 335.492 2.008 10 30 EEEELP Cc1cnc([C@@H](C)O[NH+]=C(N)c2ccc(C[NH+]3CCOCC3)cc2)o1 ZINC000770692838 577601911 /nfs/dbraw/zinc/60/19/11/577601911.db2.gz DRJZKTFYLDNOKW-CQSZACIVSA-N 2 2 344.415 2.213 10 30 EEEELP C#CC[NH+]1CCC(C(=O)NCC[N@@H+](C)Cc2ccccc2Cl)CC1 ZINC001691000376 1176472241 /nfs/dbraw/zinc/47/22/41/1176472241.db2.gz DWPGGIPFUOMQQT-UHFFFAOYSA-N 2 2 347.890 2.233 10 30 EEEELP C#CC[NH+]1CCC(C(=O)NCC[N@H+](C)Cc2ccccc2Cl)CC1 ZINC001691000376 1176472248 /nfs/dbraw/zinc/47/22/48/1176472248.db2.gz DWPGGIPFUOMQQT-UHFFFAOYSA-N 2 2 347.890 2.233 10 30 EEEELP C=CCC[NH2+]C[C@@H]1CCCN(C(=O)[C@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC001266804860 1177459022 /nfs/dbraw/zinc/45/90/22/1177459022.db2.gz PUVKNPFIXDJWSA-PKOBYXMFSA-N 2 2 349.519 2.034 10 30 EEEELP C=CCC[NH2+]C[C@@H]1CCCN(C(=O)[C@H]2COCC[N@H+]2C2CCCC2)C1 ZINC001266804860 1177459028 /nfs/dbraw/zinc/45/90/28/1177459028.db2.gz PUVKNPFIXDJWSA-PKOBYXMFSA-N 2 2 349.519 2.034 10 30 EEEELP CCC[N@@H+](CC#Cc1ccccc1)CCNC(=O)Cc1[nH]c[nH+]c1C ZINC001267319309 1178749126 /nfs/dbraw/zinc/74/91/26/1178749126.db2.gz GAIGFDVLJOBEGL-UHFFFAOYSA-N 2 2 338.455 2.141 10 30 EEEELP CCC[N@H+](CC#Cc1ccccc1)CCNC(=O)Cc1[nH]c[nH+]c1C ZINC001267319309 1178749132 /nfs/dbraw/zinc/74/91/32/1178749132.db2.gz GAIGFDVLJOBEGL-UHFFFAOYSA-N 2 2 338.455 2.141 10 30 EEEELP C=CCC[NH2+][C@H](CNC(=O)[C@H]1CCn2c[nH+]cc2C1)c1ccccc1 ZINC001267519351 1179244658 /nfs/dbraw/zinc/24/46/58/1179244658.db2.gz DOSPPZDTOXCPER-PKOBYXMFSA-N 2 2 338.455 2.469 10 30 EEEELP C=C(C)CC[N@@H+](C)C[C@H](C)NC(=O)c1cc([C@H]2CCC[NH+]2C)n[nH]1 ZINC001268730689 1183647817 /nfs/dbraw/zinc/64/78/17/1183647817.db2.gz JKPKPAOOCCXKQE-WMLDXEAASA-N 2 2 333.480 2.193 10 30 EEEELP C=C(C)CC[N@H+](C)C[C@H](C)NC(=O)c1cc([C@H]2CCC[NH+]2C)n[nH]1 ZINC001268730689 1183647821 /nfs/dbraw/zinc/64/78/21/1183647821.db2.gz JKPKPAOOCCXKQE-WMLDXEAASA-N 2 2 333.480 2.193 10 30 EEEELP C=C(C)CC[NH+](C)C[C@H](C)NC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1 ZINC001268730689 1183647824 /nfs/dbraw/zinc/64/78/24/1183647824.db2.gz JKPKPAOOCCXKQE-WMLDXEAASA-N 2 2 333.480 2.193 10 30 EEEELP C=C(C)CC[NH+](C)C[C@H](C)NC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1 ZINC001268730689 1183647827 /nfs/dbraw/zinc/64/78/27/1183647827.db2.gz JKPKPAOOCCXKQE-WMLDXEAASA-N 2 2 333.480 2.193 10 30 EEEELP C=CCCC[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC001482325126 1185383710 /nfs/dbraw/zinc/38/37/10/1185383710.db2.gz UQKBFSOYOVDVHC-WMZOPIPTSA-N 2 2 337.508 2.033 10 30 EEEELP C=CCCC[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC001482325126 1185383716 /nfs/dbraw/zinc/38/37/16/1185383716.db2.gz UQKBFSOYOVDVHC-WMZOPIPTSA-N 2 2 337.508 2.033 10 30 EEEELP C=CC[N@@H+](CC)CC1CCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC001485031218 1191621611 /nfs/dbraw/zinc/62/16/11/1191621611.db2.gz VTRGXIFNJZFRIK-KRWDZBQOSA-N 2 2 330.476 2.192 10 30 EEEELP C=CC[N@H+](CC)CC1CCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC001485031218 1191621613 /nfs/dbraw/zinc/62/16/13/1191621613.db2.gz VTRGXIFNJZFRIK-KRWDZBQOSA-N 2 2 330.476 2.192 10 30 EEEELP C=C(C)CC[NH2+]C[C@]1(C)CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001278549709 1317210225 /nfs/dbraw/zinc/21/02/25/1317210225.db2.gz CKTWOKPWHRSLLZ-MDZRGWNJSA-N 2 2 330.476 2.318 10 30 EEEELP C#CC[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001264576719 1322736050 /nfs/dbraw/zinc/73/60/50/1322736050.db2.gz UDCPHKNJTZPUOO-BRSBDYLESA-N 2 2 342.487 2.154 10 30 EEEELP C=C(C)C[NH2+]C[C@H](NC(=O)Cc1cn2cccc(C)c2[nH+]1)C1CC1 ZINC001276680639 1325214494 /nfs/dbraw/zinc/21/44/94/1325214494.db2.gz IEDSBAOBZVVGCD-KRWDZBQOSA-N 2 2 326.444 2.246 10 30 EEEELP C=CCC[N@@H+](C)CC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001317880129 1332440018 /nfs/dbraw/zinc/44/00/18/1332440018.db2.gz RTQDKJZCVGJASE-IAGOWNOFSA-N 2 2 330.476 2.270 10 30 EEEELP C=CCC[N@H+](C)CC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001317880129 1332440020 /nfs/dbraw/zinc/44/00/20/1332440020.db2.gz RTQDKJZCVGJASE-IAGOWNOFSA-N 2 2 330.476 2.270 10 30 EEEELP COCC#CC[NH2+][C@H](CNC(=O)c1c(C)cc(C)[nH+]c1C)C(C)C ZINC001319930636 1332799142 /nfs/dbraw/zinc/79/91/42/1332799142.db2.gz WCTHDIDQNKQZPA-QGZVFWFLSA-N 2 2 331.460 2.001 10 30 EEEELP C=CCOCC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001320149770 1332838617 /nfs/dbraw/zinc/83/86/17/1332838617.db2.gz YLIAXHONGDZFRV-HOCLYGCPSA-N 2 2 342.443 2.254 10 30 EEEELP C[C@H](C[NH2+]CC#Cc1ccc(F)cc1)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001321661544 1333139593 /nfs/dbraw/zinc/13/95/93/1333139593.db2.gz OOGSKEXLQOPURY-CVEARBPZSA-N 2 2 342.418 2.119 10 30 EEEELP C=CCC[NH+]1CCC(C)(CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC001324868745 1333777595 /nfs/dbraw/zinc/77/75/95/1333777595.db2.gz NJDHXPBIZBUBKK-MRXNPFEDSA-N 2 2 330.476 2.240 10 30 EEEELP C=C(Cl)C[NH2+]CC[C@@H]1CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001326305439 1334064425 /nfs/dbraw/zinc/06/44/25/1334064425.db2.gz UPINAILPPDGPBO-CABCVRRESA-N 2 2 336.867 2.026 10 30 EEEELP C=CCCC[NH+]1CCC2(CN(C(=O)[C@@H]3CCc4c[nH+]cn4C3)C2)CC1 ZINC001326585991 1334119871 /nfs/dbraw/zinc/11/98/71/1334119871.db2.gz PRRZMSMDPVYSMH-QGZVFWFLSA-N 2 2 342.487 2.336 10 30 EEEELP C=CCCC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC001570179042 1343027051 /nfs/dbraw/zinc/02/70/51/1343027051.db2.gz FLWIZCVTGIRSBV-SJORKVTESA-N 2 2 330.476 2.382 10 30 EEEELP C=CCCC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC001570179042 1343027056 /nfs/dbraw/zinc/02/70/56/1343027056.db2.gz FLWIZCVTGIRSBV-SJORKVTESA-N 2 2 330.476 2.382 10 30 EEEELP C#CC[NH2+]CC[C@@H]1[C@@H](C)CCCN1C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001649434326 1353502120 /nfs/dbraw/zinc/50/21/20/1353502120.db2.gz XYIUFRRLOZCEAE-FUHWJXTLSA-N 2 2 342.487 2.002 10 30 EEEELP C#CCC[N@H+]1CC[C@H](NC(=O)[C@H](CC(C)C)n2cc[nH+]c2)[C@H]1CC ZINC001656716624 1354267570 /nfs/dbraw/zinc/26/75/70/1354267570.db2.gz IJJAOIBIPWQYJE-KSZLIROESA-N 2 2 330.476 2.463 10 30 EEEELP C#CCC[N@@H+]1CC[C@H](NC(=O)[C@H](CC(C)C)n2cc[nH+]c2)[C@H]1CC ZINC001656716624 1354267573 /nfs/dbraw/zinc/26/75/73/1354267573.db2.gz IJJAOIBIPWQYJE-KSZLIROESA-N 2 2 330.476 2.463 10 30 EEEELP C#CCC[NH+]1CCC(N(CCC)C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001661094218 1354590166 /nfs/dbraw/zinc/59/01/66/1354590166.db2.gz KPVYDKVUYHHTOJ-QZTJIDSGSA-N 2 2 342.487 2.250 10 30 EEEELP C=CCOCC[N@@H+]1CCCC[C@@H]1CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001661870997 1354714597 /nfs/dbraw/zinc/71/45/97/1354714597.db2.gz IXXDMDLOABMWRQ-MRXNPFEDSA-N 2 2 342.443 2.350 10 30 EEEELP C=CCOCC[N@H+]1CCCC[C@@H]1CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001661870997 1354714601 /nfs/dbraw/zinc/71/46/01/1354714601.db2.gz IXXDMDLOABMWRQ-MRXNPFEDSA-N 2 2 342.443 2.350 10 30 EEEELP Cc1c[nH+]c2cc(C(=O)N(C)CC[NH2+]Cc3ccc(C#N)cc3)ccn12 ZINC001663932394 1355056580 /nfs/dbraw/zinc/05/65/80/1355056580.db2.gz XNPHXOKRRISKGC-UHFFFAOYSA-N 2 2 347.422 2.376 10 30 EEEELP CC#CC[NH2+]CCN(Cc1ccccc1)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001672391936 1356513890 /nfs/dbraw/zinc/51/38/90/1356513890.db2.gz DGDSYEXFPOQPJU-QZTJIDSGSA-N 2 2 336.439 2.155 10 30 EEEELP C=CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)C(C)(C)C1 ZINC000940851640 779434455 /nfs/dbraw/zinc/43/44/55/779434455.db2.gz ZYAFQAJYGZILHJ-HOTGVXAUSA-N 2 2 330.476 2.238 10 30 EEEELP C=CCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)C(C)(C)C1 ZINC000940851640 779434460 /nfs/dbraw/zinc/43/44/60/779434460.db2.gz ZYAFQAJYGZILHJ-HOTGVXAUSA-N 2 2 330.476 2.238 10 30 EEEELP C=CCNC(=S)N[NH+]=Cc1ccccc1N1CC[NH+](CCC)CC1 ZINC000915943134 797460553 /nfs/dbraw/zinc/46/05/53/797460553.db2.gz UCUIEULWNZTDFT-UHFFFAOYSA-N 2 2 345.516 2.203 10 30 EEEELP C=C(Cl)C[N@H+]1CC[C@H](CNC(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001437741490 1090303207 /nfs/dbraw/zinc/30/32/07/1090303207.db2.gz QQFMNWOXWJHKBJ-NVXWUHKLSA-N 2 2 335.879 2.480 10 30 EEEELP C=C(Cl)C[N@@H+]1CC[C@H](CNC(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001437741490 1090303210 /nfs/dbraw/zinc/30/32/10/1090303210.db2.gz QQFMNWOXWJHKBJ-NVXWUHKLSA-N 2 2 335.879 2.480 10 30 EEEELP C[C@H](C[N@H+](C)Cc1cccc(C#N)c1)NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001445824623 1091709996 /nfs/dbraw/zinc/70/99/96/1091709996.db2.gz RQWFNAXKWBNSEG-LSDHHAIUSA-N 2 2 339.443 2.097 10 30 EEEELP C[C@H](C[N@@H+](C)Cc1cccc(C#N)c1)NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001445824623 1091710002 /nfs/dbraw/zinc/71/00/02/1091710002.db2.gz RQWFNAXKWBNSEG-LSDHHAIUSA-N 2 2 339.443 2.097 10 30 EEEELP CC#CC[N@@H+]1CCCC[C@@H]1CNC(=O)C[NH+](C)Cc1ccccc1 ZINC001480335234 1100098371 /nfs/dbraw/zinc/09/83/71/1100098371.db2.gz OWDIJOQGMSZFMV-LJQANCHMSA-N 2 2 327.472 2.112 10 30 EEEELP CC#CC[N@H+]1CCCC[C@@H]1CNC(=O)C[NH+](C)Cc1ccccc1 ZINC001480335234 1100098377 /nfs/dbraw/zinc/09/83/77/1100098377.db2.gz OWDIJOQGMSZFMV-LJQANCHMSA-N 2 2 327.472 2.112 10 30 EEEELP CC#CC[NH+]1CCCC[C@@H]1CNC(=O)C[N@H+](C)Cc1ccccc1 ZINC001480335234 1100098381 /nfs/dbraw/zinc/09/83/81/1100098381.db2.gz OWDIJOQGMSZFMV-LJQANCHMSA-N 2 2 327.472 2.112 10 30 EEEELP CC#CC[NH+]1CCCC[C@@H]1CNC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001480335234 1100098389 /nfs/dbraw/zinc/09/83/89/1100098389.db2.gz OWDIJOQGMSZFMV-LJQANCHMSA-N 2 2 327.472 2.112 10 30 EEEELP C[C@H](C[NH2+]Cc1ccc(C#N)cc1)NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001497927084 1103350729 /nfs/dbraw/zinc/35/07/29/1103350729.db2.gz KUZZVDUVYNGPFN-HUUCEWRRSA-N 2 2 325.416 2.000 10 30 EEEELP C[C@@H](CCNC(=O)CCc1c[nH]c[nH+]1)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001480767048 1107072942 /nfs/dbraw/zinc/07/29/42/1107072942.db2.gz GXZOWCUQJNOLTR-ZDUSSCGKSA-N 2 2 343.406 2.038 10 30 EEEELP C[C@@H](CCNC(=O)CCc1c[nH+]c[nH]1)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001480767048 1107072951 /nfs/dbraw/zinc/07/29/51/1107072951.db2.gz GXZOWCUQJNOLTR-ZDUSSCGKSA-N 2 2 343.406 2.038 10 30 EEEELP CC#CC[NH2+][C@@H](C)C1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC001493831466 1108713267 /nfs/dbraw/zinc/71/32/67/1108713267.db2.gz TZQUGJZUXRWHGF-INIZCTEOSA-N 2 2 330.476 2.167 10 30 EEEELP C=CCC[NH2+][C@@H](C)[C@H]1CCN(C(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001501047798 1113179285 /nfs/dbraw/zinc/17/92/85/1113179285.db2.gz TXJAHDWYUGFGIG-HOTGVXAUSA-N 2 2 330.476 2.165 10 30 EEEELP C=CC[N@@H+]1CC[C@@H]([C@H]2CCCN(C(=O)CCCn3cc[nH+]c3)C2)C1 ZINC001505472601 1114009624 /nfs/dbraw/zinc/00/96/24/1114009624.db2.gz IYPAJQCZQZHBOI-ZWKOTPCHSA-N 2 2 330.476 2.410 10 30 EEEELP C=CC[N@H+]1CC[C@@H]([C@H]2CCCN(C(=O)CCCn3cc[nH+]c3)C2)C1 ZINC001505472601 1114009628 /nfs/dbraw/zinc/00/96/28/1114009628.db2.gz IYPAJQCZQZHBOI-ZWKOTPCHSA-N 2 2 330.476 2.410 10 30 EEEELP C=CC[NH+](CC=C)[C@H](CNC(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1)C(C)C ZINC000358298773 465043981 /nfs/dbraw/zinc/04/39/81/465043981.db2.gz DSBKLEUAPGEPKV-CRAIPNDOSA-N 2 2 345.491 2.265 10 30 EEEELP C=CC[NH+](CC=C)[C@H](CNC(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1)C(C)C ZINC000358298773 465043988 /nfs/dbraw/zinc/04/39/88/465043988.db2.gz DSBKLEUAPGEPKV-CRAIPNDOSA-N 2 2 345.491 2.265 10 30 EEEELP CC[NH+](CC)[C@@H]1CCN(C(=O)NC[C@H]2CCCn3cc(C)[nH+]c32)C1 ZINC000328637664 465083026 /nfs/dbraw/zinc/08/30/26/465083026.db2.gz BATXTJJIDNMWQC-HZPDHXFCSA-N 2 2 333.480 2.399 10 30 EEEELP CC(C)(C)c1cn2c([nH+]1)CC[C@@H]([NH+]=C([O-])N1CC[NH+](C3CC3)CC1)C2 ZINC000329298539 465291232 /nfs/dbraw/zinc/29/12/32/465291232.db2.gz ULACCYGJPRUOFQ-CQSZACIVSA-N 2 2 345.491 2.189 10 30 EEEELP Cc1oc(C#N)cc1C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000366662416 465862326 /nfs/dbraw/zinc/86/23/26/465862326.db2.gz FNEKATSVDRNGPN-UHFFFAOYSA-N 2 2 344.459 2.140 10 30 EEEELP Cn1cc(C[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)c(-c2ccc(C#N)cc2)n1 ZINC000377719970 467125769 /nfs/dbraw/zinc/12/57/69/467125769.db2.gz IMGHIJPXCSWGOJ-INIZCTEOSA-N 2 2 332.411 2.329 10 30 EEEELP Cn1cc(C[NH2+][C@H]2CCc3[nH]c[nH+]c3C2)c(-c2ccc(C#N)cc2)n1 ZINC000377719970 467125772 /nfs/dbraw/zinc/12/57/72/467125772.db2.gz IMGHIJPXCSWGOJ-INIZCTEOSA-N 2 2 332.411 2.329 10 30 EEEELP CN(C(=O)CC1(C#N)CC1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000590315042 468233933 /nfs/dbraw/zinc/23/39/33/468233933.db2.gz HMTYITXRHMOMDC-ROUUACIJSA-N 2 2 346.519 2.476 10 30 EEEELP CN(C(=O)CC1(C#N)CC1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000590315042 468233939 /nfs/dbraw/zinc/23/39/39/468233939.db2.gz HMTYITXRHMOMDC-ROUUACIJSA-N 2 2 346.519 2.476 10 30 EEEELP COC(=O)[C@@H]1C[C@H]1[C@@H](C)[NH2+]C1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000594950949 468730034 /nfs/dbraw/zinc/73/00/34/468730034.db2.gz VPAFKTRXNHKJQJ-MDASCCDHSA-N 2 2 341.455 2.310 10 30 EEEELP C=CCCCCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001266327182 1176304916 /nfs/dbraw/zinc/30/49/16/1176304916.db2.gz ALUFKHMDGAQYDZ-IRXDYDNUSA-N 2 2 330.476 2.382 10 30 EEEELP C=CCCCCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001266327182 1176304925 /nfs/dbraw/zinc/30/49/25/1176304925.db2.gz ALUFKHMDGAQYDZ-IRXDYDNUSA-N 2 2 330.476 2.382 10 30 EEEELP C[C@H](CCNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1)[NH2+]CC#Cc1ccccc1 ZINC001267149349 1178327571 /nfs/dbraw/zinc/32/75/71/1178327571.db2.gz RWLDPQTYHXDGKO-DLBZAZTESA-N 2 2 338.455 2.124 10 30 EEEELP C[C@H](CCNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1)[NH2+]CC#Cc1ccccc1 ZINC001267149349 1178327579 /nfs/dbraw/zinc/32/75/79/1178327579.db2.gz RWLDPQTYHXDGKO-DLBZAZTESA-N 2 2 338.455 2.124 10 30 EEEELP C#CCC[NH2+]C[C@@]1(NC(=O)Cc2c[nH+]ccc2OC)CCCC[C@@H]1C ZINC001481956804 1183025740 /nfs/dbraw/zinc/02/57/40/1183025740.db2.gz BTSZZMBRIFOEDW-JXFKEZNVSA-N 2 2 343.471 2.311 10 30 EEEELP CC[C@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)[NH2+]CC#Cc1ccccc1 ZINC001269417740 1184253593 /nfs/dbraw/zinc/25/35/93/1184253593.db2.gz PLUFAZVQVUIBGK-KZNAEPCWSA-N 2 2 336.439 2.049 10 30 EEEELP C[C@H](C[NH2+]Cc1ccc(C#N)cc1)N(C)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001482299392 1185193574 /nfs/dbraw/zinc/19/35/74/1185193574.db2.gz YQSRTBQCCRRCDZ-KBRIMQKVSA-N 2 2 337.427 2.022 10 30 EEEELP C[C@H](C[NH2+]Cc1ccc(C#N)cc1)N(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001482299392 1185193579 /nfs/dbraw/zinc/19/35/79/1185193579.db2.gz YQSRTBQCCRRCDZ-KBRIMQKVSA-N 2 2 337.427 2.022 10 30 EEEELP C=CCC[C@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)CCc3c[nH+]cn3C)C[C@@H]2C1 ZINC001691582082 1188281197 /nfs/dbraw/zinc/28/11/97/1188281197.db2.gz PAIRILAOYHJAMV-KSZLIROESA-N 2 2 344.503 2.488 10 30 EEEELP C=CCC[C@H](C)[N@H+]1CC[C@@H]2CN(C(=O)CCc3c[nH+]cn3C)C[C@@H]2C1 ZINC001691582082 1188281200 /nfs/dbraw/zinc/28/12/00/1188281200.db2.gz PAIRILAOYHJAMV-KSZLIROESA-N 2 2 344.503 2.488 10 30 EEEELP C[C@@H]([NH2+]CC#Cc1ccc(Cl)cc1)[C@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001485235433 1191701236 /nfs/dbraw/zinc/70/12/36/1191701236.db2.gz XDIXDWUWPGDDMJ-CABCVRRESA-N 2 2 344.846 2.071 10 30 EEEELP C=C(C)C[NH2+]Cc1ccc(CNC(=O)CCc2c[nH+]cn2C)c(F)c1 ZINC001486525137 1194047805 /nfs/dbraw/zinc/04/78/05/1194047805.db2.gz COBUGVDXGVNNNW-UHFFFAOYSA-N 2 2 344.434 2.474 10 30 EEEELP C[C@@H]1C[NH+](CCC[NH2+]Cc2cc(C#N)ccc2N(C)C)C[C@@H](C)O1 ZINC000865406157 1198200428 /nfs/dbraw/zinc/20/04/28/1198200428.db2.gz KFFPJYDZPNJHTL-HZPDHXFCSA-N 2 2 330.476 2.213 10 30 EEEELP CC[C@@H](C(=O)N[C@@H]1CCC[N@H+](CC#Cc2ccc(F)cc2)C1)[NH+](C)C ZINC001265230803 1322998884 /nfs/dbraw/zinc/99/88/84/1322998884.db2.gz MGCCOTJFYKVTRW-MOPGFXCFSA-N 2 2 345.462 2.098 10 30 EEEELP CC[C@@H](C(=O)N[C@@H]1CCC[N@@H+](CC#Cc2ccc(F)cc2)C1)[NH+](C)C ZINC001265230803 1322998886 /nfs/dbraw/zinc/99/88/86/1322998886.db2.gz MGCCOTJFYKVTRW-MOPGFXCFSA-N 2 2 345.462 2.098 10 30 EEEELP C#CCC[N@@H+](C)[C@H]1CCCN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001266102411 1323665593 /nfs/dbraw/zinc/66/55/93/1323665593.db2.gz JRYQINJSBRTMEA-ROUUACIJSA-N 2 2 330.476 2.416 10 30 EEEELP C#CCC[N@H+](C)[C@H]1CCCN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001266102411 1323665601 /nfs/dbraw/zinc/66/56/01/1323665601.db2.gz JRYQINJSBRTMEA-ROUUACIJSA-N 2 2 330.476 2.416 10 30 EEEELP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](CCCCCC=C)C1 ZINC001266221805 1323792218 /nfs/dbraw/zinc/79/22/18/1323792218.db2.gz IZHXYQFOFSRPCG-MOPGFXCFSA-N 2 2 331.504 2.411 10 30 EEEELP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](CCCCCC=C)C1 ZINC001266221805 1323792223 /nfs/dbraw/zinc/79/22/23/1323792223.db2.gz IZHXYQFOFSRPCG-MOPGFXCFSA-N 2 2 331.504 2.411 10 30 EEEELP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC[NH+](CCCCCC=C)C1 ZINC001266221805 1323792227 /nfs/dbraw/zinc/79/22/27/1323792227.db2.gz IZHXYQFOFSRPCG-MOPGFXCFSA-N 2 2 331.504 2.411 10 30 EEEELP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC[NH+](CCCCCC=C)C1 ZINC001266221805 1323792231 /nfs/dbraw/zinc/79/22/31/1323792231.db2.gz IZHXYQFOFSRPCG-MOPGFXCFSA-N 2 2 331.504 2.411 10 30 EEEELP C=C(C)C[NH2+]C[C@@H]1CCN(C(=O)Cc2cn3cccc(C)c3[nH+]2)C1 ZINC001317338356 1332184979 /nfs/dbraw/zinc/18/49/79/1332184979.db2.gz YAVNDDKMIMMNEF-INIZCTEOSA-N 2 2 326.444 2.199 10 30 EEEELP C#CC[NH+]1CCCCC[C@@H]1CNC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001329950691 1334747393 /nfs/dbraw/zinc/74/73/93/1334747393.db2.gz CTARAOLOGOMIEH-LJQANCHMSA-N 2 2 327.472 2.112 10 30 EEEELP C#CC[NH+]1CCCCC[C@@H]1CNC(=O)C[N@H+](C)Cc1ccccc1 ZINC001329950691 1334747396 /nfs/dbraw/zinc/74/73/96/1334747396.db2.gz CTARAOLOGOMIEH-LJQANCHMSA-N 2 2 327.472 2.112 10 30 EEEELP C#CC[N@H+]1CCCCC[C@@H]1CNC(=O)C[NH+](C)Cc1ccccc1 ZINC001329950691 1334747399 /nfs/dbraw/zinc/74/73/99/1334747399.db2.gz CTARAOLOGOMIEH-LJQANCHMSA-N 2 2 327.472 2.112 10 30 EEEELP C#CC[N@@H+]1CCCCC[C@@H]1CNC(=O)C[NH+](C)Cc1ccccc1 ZINC001329950691 1334747402 /nfs/dbraw/zinc/74/74/02/1334747402.db2.gz CTARAOLOGOMIEH-LJQANCHMSA-N 2 2 327.472 2.112 10 30 EEEELP C#CCC[N@H+]1CCCC2(CN(C(=O)[C@@H](CC(C)C)n3cc[nH+]c3)C2)C1 ZINC001330500403 1334859304 /nfs/dbraw/zinc/85/93/04/1334859304.db2.gz WRVKSSUXTNSPLH-GOSISDBHSA-N 2 2 342.487 2.418 10 30 EEEELP C#CCC[N@@H+]1CCCC2(CN(C(=O)[C@@H](CC(C)C)n3cc[nH+]c3)C2)C1 ZINC001330500403 1334859306 /nfs/dbraw/zinc/85/93/06/1334859306.db2.gz WRVKSSUXTNSPLH-GOSISDBHSA-N 2 2 342.487 2.418 10 30 EEEELP C=C(C)CC[N@@H+]1CC[C@]2(NC(=O)CCc3[nH+]ccn3C)CCC[C@H]12 ZINC001332103339 1335729983 /nfs/dbraw/zinc/72/99/83/1335729983.db2.gz ZGMAXMYORUCVDH-QFBILLFUSA-N 2 2 330.476 2.432 10 30 EEEELP C=C(C)CC[N@H+]1CC[C@]2(NC(=O)CCc3[nH+]ccn3C)CCC[C@H]12 ZINC001332103339 1335729984 /nfs/dbraw/zinc/72/99/84/1335729984.db2.gz ZGMAXMYORUCVDH-QFBILLFUSA-N 2 2 330.476 2.432 10 30 EEEELP C=CCCC[NH2+]C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@@H]1C(F)(F)F ZINC001332471494 1335831077 /nfs/dbraw/zinc/83/10/77/1335831077.db2.gz MZPITHXIFJUQIS-OLZOCXBDSA-N 2 2 344.381 2.145 10 30 EEEELP C=C(Br)C[N@H+]1CC[C@](C)(NC(=O)CCCC[NH+](C)C)C1 ZINC001569651937 1342918905 /nfs/dbraw/zinc/91/89/05/1342918905.db2.gz XPKRYGCXUOAQEX-HNNXBMFYSA-N 2 2 346.313 2.208 10 30 EEEELP C=C(Br)C[N@@H+]1CC[C@](C)(NC(=O)CCCC[NH+](C)C)C1 ZINC001569651937 1342918909 /nfs/dbraw/zinc/91/89/09/1342918909.db2.gz XPKRYGCXUOAQEX-HNNXBMFYSA-N 2 2 346.313 2.208 10 30 EEEELP CC#CC[NH2+]C[C@@]1(C)CCN(C(=O)Cc2cn3cccc(C)c3[nH+]2)C1 ZINC001569686164 1342924006 /nfs/dbraw/zinc/92/40/06/1342924006.db2.gz BUQCDWVPJTUXBA-HXUWFJFHSA-N 2 2 338.455 2.037 10 30 EEEELP Cc1c[nH+]cn1CC(=O)NCC1=CC[N@H+](Cc2ccccc2C#N)CC1 ZINC001571690757 1343273867 /nfs/dbraw/zinc/27/38/67/1343273867.db2.gz MRWIMYWEDILMJJ-UHFFFAOYSA-N 2 2 349.438 2.012 10 30 EEEELP Cc1c[nH+]cn1CC(=O)NCC1=CC[N@@H+](Cc2ccccc2C#N)CC1 ZINC001571690757 1343273869 /nfs/dbraw/zinc/27/38/69/1343273869.db2.gz MRWIMYWEDILMJJ-UHFFFAOYSA-N 2 2 349.438 2.012 10 30 EEEELP C=CCC[N@@H+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001657076153 1354318324 /nfs/dbraw/zinc/31/83/24/1354318324.db2.gz PHTAPNLRHIPDDS-GVDBMIGSSA-N 2 2 330.476 2.413 10 30 EEEELP C=CCC[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001657076153 1354318328 /nfs/dbraw/zinc/31/83/28/1354318328.db2.gz PHTAPNLRHIPDDS-GVDBMIGSSA-N 2 2 330.476 2.413 10 30 EEEELP C[C@H](CCNC(=O)C[C@@H](C)n1cc[nH+]c1)[NH2+]CC#Cc1ccccc1 ZINC001662984399 1354883334 /nfs/dbraw/zinc/88/33/34/1354883334.db2.gz SCIKGPFNFQXWSH-QZTJIDSGSA-N 2 2 338.455 2.370 10 30 EEEELP CCC[N@H+](C)CC(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2CC#Cc1ccccc1 ZINC001664643275 1355203034 /nfs/dbraw/zinc/20/30/34/1355203034.db2.gz PYRGMJSOPAFBHR-BGYRXZFFSA-N 2 2 339.483 2.055 10 30 EEEELP CCC[N@@H+](C)CC(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2CC#Cc1ccccc1 ZINC001664643275 1355203042 /nfs/dbraw/zinc/20/30/42/1355203042.db2.gz PYRGMJSOPAFBHR-BGYRXZFFSA-N 2 2 339.483 2.055 10 30 EEEELP CCC[NH+](C)CC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC#Cc1ccccc1 ZINC001664643275 1355203044 /nfs/dbraw/zinc/20/30/44/1355203044.db2.gz PYRGMJSOPAFBHR-BGYRXZFFSA-N 2 2 339.483 2.055 10 30 EEEELP CCC[NH+](C)CC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC#Cc1ccccc1 ZINC001664643275 1355203048 /nfs/dbraw/zinc/20/30/48/1355203048.db2.gz PYRGMJSOPAFBHR-BGYRXZFFSA-N 2 2 339.483 2.055 10 30 EEEELP C=C(C)CC[NH2+]CC1(NC(=O)[C@@H]2CCn3c[nH+]cc3C2)CCCC1 ZINC001665928219 1355410932 /nfs/dbraw/zinc/41/09/32/1355410932.db2.gz GHMVDOYJYJZJPA-MRXNPFEDSA-N 2 2 330.476 2.430 10 30 EEEELP C#CCC[N@@H+](C)CCC1CCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC001667413908 1355737210 /nfs/dbraw/zinc/73/72/10/1355737210.db2.gz UDNGYHGUNIVMSV-SFHVURJKSA-N 2 2 342.487 2.029 10 30 EEEELP C#CCC[N@H+](C)CCC1CCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC001667413908 1355737213 /nfs/dbraw/zinc/73/72/13/1355737213.db2.gz UDNGYHGUNIVMSV-SFHVURJKSA-N 2 2 342.487 2.029 10 30 EEEELP CCN(CC[NH2+]Cc1cccc(C#N)c1)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001668614144 1355972834 /nfs/dbraw/zinc/97/28/34/1355972834.db2.gz LTVNGIZZBJIKDM-UHFFFAOYSA-N 2 2 339.443 2.197 10 30 EEEELP C=C(C)C[NH2+]C[C@@H](NC(=O)[C@@H]1CCc2[nH+]ccn2C1)C1CCCC1 ZINC001671535980 1356358000 /nfs/dbraw/zinc/35/80/00/1356358000.db2.gz JVYLLGHCYWHVDU-IAGOWNOFSA-N 2 2 330.476 2.286 10 30 EEEELP CC#CC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001672376726 1356511303 /nfs/dbraw/zinc/51/13/03/1356511303.db2.gz JSQIGZFCXHNYDX-ULQDDVLXSA-N 2 2 330.476 2.124 10 30 EEEELP CC#CC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001672376726 1356511307 /nfs/dbraw/zinc/51/13/07/1356511307.db2.gz JSQIGZFCXHNYDX-ULQDDVLXSA-N 2 2 330.476 2.124 10 30 EEEELP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H](C)C[N@H+](C)Cc1cccc(C#N)c1 ZINC001445824575 1091709752 /nfs/dbraw/zinc/70/97/52/1091709752.db2.gz RQWFNAXKWBNSEG-CABCVRRESA-N 2 2 339.443 2.097 10 30 EEEELP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H](C)C[N@@H+](C)Cc1cccc(C#N)c1 ZINC001445824575 1091709758 /nfs/dbraw/zinc/70/97/58/1091709758.db2.gz RQWFNAXKWBNSEG-CABCVRRESA-N 2 2 339.443 2.097 10 30 EEEELP CC(C)[C@@H](CCNC(=O)Cc1c[nH]c[nH+]1)[NH2+]Cc1ccc(C#N)s1 ZINC001448559122 1093604531 /nfs/dbraw/zinc/60/45/31/1093604531.db2.gz SKRQVRYCVITPCP-MRXNPFEDSA-N 2 2 345.472 2.206 10 30 EEEELP C[C@@H](C[NH2+]Cc1ccc(C#N)s1)N(C)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001444685066 1099533629 /nfs/dbraw/zinc/53/36/29/1099533629.db2.gz MMVUKHBFEZJBDO-KBPBESRZSA-N 2 2 345.472 2.404 10 30 EEEELP C=CCC[NH2+]Cc1ccc(CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC001495488108 1101198483 /nfs/dbraw/zinc/19/84/83/1101198483.db2.gz CCKSUSJTFZCIPE-GOSISDBHSA-N 2 2 338.455 2.428 10 30 EEEELP C=CCCCCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001494657375 1104243431 /nfs/dbraw/zinc/24/34/31/1104243431.db2.gz BLYXEUDQGZAITI-NEWSRXKRSA-N 2 2 342.487 2.477 10 30 EEEELP C=CCCCCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001494657375 1104243435 /nfs/dbraw/zinc/24/34/35/1104243435.db2.gz BLYXEUDQGZAITI-NEWSRXKRSA-N 2 2 342.487 2.477 10 30 EEEELP C=CCC[NH+]1CCN(C(=O)N2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001460435425 1110282092 /nfs/dbraw/zinc/28/20/92/1110282092.db2.gz REYFFZWINNZODP-UHFFFAOYSA-N 2 2 342.487 2.118 10 30 EEEELP C=C(C)CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001479461982 1110698152 /nfs/dbraw/zinc/69/81/52/1110698152.db2.gz OXUFWRGWQOWWIF-YESZJQIVSA-N 2 2 330.476 2.286 10 30 EEEELP C=C(C)CC[NH2+]C1(CNC(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)CCC1 ZINC001501993108 1113550714 /nfs/dbraw/zinc/55/07/14/1113550714.db2.gz OZYNWTKFULNGER-SFHVURJKSA-N 2 2 349.519 2.225 10 30 EEEELP C=C(C)CC[NH2+]C1(CNC(=O)[C@@H]2COCC[N@H+]2C2CCCC2)CCC1 ZINC001501993108 1113550715 /nfs/dbraw/zinc/55/07/15/1113550715.db2.gz OZYNWTKFULNGER-SFHVURJKSA-N 2 2 349.519 2.225 10 30 EEEELP C=CCOCC[N@H+]1CC[C@H](NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)C(C)(C)C1 ZINC001502833894 1113825975 /nfs/dbraw/zinc/82/59/75/1113825975.db2.gz BFQZFOJWDFWFTR-WBVHZDCISA-N 2 2 348.491 2.008 10 30 EEEELP C=CCOCC[N@@H+]1CC[C@H](NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)C(C)(C)C1 ZINC001502833894 1113825979 /nfs/dbraw/zinc/82/59/79/1113825979.db2.gz BFQZFOJWDFWFTR-WBVHZDCISA-N 2 2 348.491 2.008 10 30 EEEELP C=CCOCC[N@H+]1CC[C@H](NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)C(C)(C)C1 ZINC001502833894 1113825984 /nfs/dbraw/zinc/82/59/84/1113825984.db2.gz BFQZFOJWDFWFTR-WBVHZDCISA-N 2 2 348.491 2.008 10 30 EEEELP C=CCOCC[N@@H+]1CC[C@H](NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)C(C)(C)C1 ZINC001502833894 1113825988 /nfs/dbraw/zinc/82/59/88/1113825988.db2.gz BFQZFOJWDFWFTR-WBVHZDCISA-N 2 2 348.491 2.008 10 30 EEEELP C#CCC[NH2+][C@H](CCN(C)C(=O)c1cccc2[nH+]ccn21)C(C)C ZINC001506388506 1114591459 /nfs/dbraw/zinc/59/14/59/1114591459.db2.gz WVSNWIADVSNDRV-MRXNPFEDSA-N 2 2 326.444 2.434 10 30 EEEELP C=CC[NH2+]C[C@@H](NC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1)C(C)(C)C ZINC001507950447 1115378961 /nfs/dbraw/zinc/37/89/61/1115378961.db2.gz YTAWHYLMAZTYND-HZPDHXFCSA-N 2 2 333.480 2.097 10 30 EEEELP C=CC[NH2+]C[C@@H](NC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1)C(C)(C)C ZINC001507950447 1115378965 /nfs/dbraw/zinc/37/89/65/1115378965.db2.gz YTAWHYLMAZTYND-HZPDHXFCSA-N 2 2 333.480 2.097 10 30 EEEELP C=CCC[NH2+]CC[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001568068184 1124273539 /nfs/dbraw/zinc/27/35/39/1124273539.db2.gz RJZJLNYRAGQJBG-BRWVUGGUSA-N 2 2 330.476 2.318 10 30 EEEELP C=CCC[NH2+][C@@H]1CCN(C(=O)Cc2cn3c([nH+]2)CCCC3)C[C@H]1C ZINC001568358078 1124435634 /nfs/dbraw/zinc/43/56/34/1124435634.db2.gz OBEXBVGPGQVGSO-NVXWUHKLSA-N 2 2 330.476 2.165 10 30 EEEELP C=C(Br)C[NH2+]CC[C@H](C)NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001568682325 1124694679 /nfs/dbraw/zinc/69/46/79/1124694679.db2.gz IZBPOVZVDNKAGJ-QWHCGFSZSA-N 2 2 343.269 2.227 10 30 EEEELP COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000245955844 160258948 /nfs/dbraw/zinc/25/89/48/160258948.db2.gz QONFUUUNTYQGEA-QZTJIDSGSA-N 2 2 338.411 2.442 10 30 EEEELP COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000245955844 160258949 /nfs/dbraw/zinc/25/89/49/160258949.db2.gz QONFUUUNTYQGEA-QZTJIDSGSA-N 2 2 338.411 2.442 10 30 EEEELP Cc1cn2c([nH+]1)[C@H](CNC(=O)N1CC[C@@H]3[C@H](CCC[N@H+]3C)C1)CCC2 ZINC000328693638 465101066 /nfs/dbraw/zinc/10/10/66/465101066.db2.gz FTSXHKRIRGJPTR-GVDBMIGSSA-N 2 2 345.491 2.399 10 30 EEEELP Cc1cn2c([nH+]1)[C@H](CNC(=O)N1CC[C@@H]3[C@H](CCC[N@@H+]3C)C1)CCC2 ZINC000328693638 465101075 /nfs/dbraw/zinc/10/10/75/465101075.db2.gz FTSXHKRIRGJPTR-GVDBMIGSSA-N 2 2 345.491 2.399 10 30 EEEELP CC(C)OCC[NH+]1CCC([NH2+]Cc2cnc3ccc(C#N)cn23)CC1 ZINC000176748413 464840128 /nfs/dbraw/zinc/84/01/28/464840128.db2.gz NCQVMPMZPJAKKT-UHFFFAOYSA-N 2 2 341.459 2.185 10 30 EEEELP C=CCOc1ccc(C[NH2+]C[C@H]2CCCC[N@@H+]2CCO)cc1OC ZINC000449392661 467637236 /nfs/dbraw/zinc/63/72/36/467637236.db2.gz KQNVPLSTRPZMMY-QGZVFWFLSA-N 2 2 334.460 2.196 10 30 EEEELP C=CCOc1ccc(C[NH2+]C[C@H]2CCCC[N@H+]2CCO)cc1OC ZINC000449392661 467637239 /nfs/dbraw/zinc/63/72/39/467637239.db2.gz KQNVPLSTRPZMMY-QGZVFWFLSA-N 2 2 334.460 2.196 10 30 EEEELP C=C[C@@H]1OCC[C@H]1[NH2+][C@@H](C)C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000576586713 468168549 /nfs/dbraw/zinc/16/85/49/468168549.db2.gz DGRLIHGWSSYQET-MJEQTWJJSA-N 2 2 326.400 2.337 10 30 EEEELP CN(C(=O)CC1(C#N)CC1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000590315040 468233421 /nfs/dbraw/zinc/23/34/21/468233421.db2.gz HMTYITXRHMOMDC-MSOLQXFVSA-N 2 2 346.519 2.476 10 30 EEEELP CN(C(=O)CC1(C#N)CC1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000590315040 468233426 /nfs/dbraw/zinc/23/34/26/468233426.db2.gz HMTYITXRHMOMDC-MSOLQXFVSA-N 2 2 346.519 2.476 10 30 EEEELP C(#CC[N@@H+]1CCOCC12CCCC2)C[NH+]1CCOCC12CCCC2 ZINC000556499165 468530766 /nfs/dbraw/zinc/53/07/66/468530766.db2.gz AURXBMDEORABKQ-UHFFFAOYSA-N 2 2 332.488 2.280 10 30 EEEELP C(#CC[N@H+]1CCOCC12CCCC2)C[NH+]1CCOCC12CCCC2 ZINC000556499165 468530769 /nfs/dbraw/zinc/53/07/69/468530769.db2.gz AURXBMDEORABKQ-UHFFFAOYSA-N 2 2 332.488 2.280 10 30 EEEELP C[C@@H](c1cccc(F)c1)[NH+]1CCN(C(=O)[C@@H]([NH3+])CCCCC#N)CC1 ZINC000594435963 468585728 /nfs/dbraw/zinc/58/57/28/468585728.db2.gz KCPFQMFCMTWDCP-YJBOKZPZSA-N 2 2 346.450 2.442 10 30 EEEELP CC1CC[NH+](CCC[NH2+]CCS(=O)(=O)c2cccc(C#N)c2)CC1 ZINC000558718523 468711557 /nfs/dbraw/zinc/71/15/57/468711557.db2.gz VNVKPOPVYPWHLA-UHFFFAOYSA-N 2 2 349.500 2.044 10 30 EEEELP C=C1C[C@H]2CC[C@@H](C1)[N@H+]2[C@H](C)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000662085863 471980775 /nfs/dbraw/zinc/98/07/75/471980775.db2.gz LDGMRAJOCCVTJH-KURKYZTESA-N 2 2 340.471 2.302 10 30 EEEELP C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H](C)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000662085863 471980778 /nfs/dbraw/zinc/98/07/78/471980778.db2.gz LDGMRAJOCCVTJH-KURKYZTESA-N 2 2 340.471 2.302 10 30 EEEELP C=CC[C@@]1(C(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)CCC[NH2+]1 ZINC000662662729 472192753 /nfs/dbraw/zinc/19/27/53/472192753.db2.gz CSOYRFZQPYBFSJ-IBGZPJMESA-N 2 2 329.444 2.156 10 30 EEEELP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[NH+](Cc2ccccc2C#N)CC1(C)C ZINC001485587000 1191850547 /nfs/dbraw/zinc/85/05/47/1191850547.db2.gz RVOWWBHHKNNOBT-GOSISDBHSA-N 2 2 342.487 2.225 10 30 EEEELP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[NH+](Cc2ccccc2C#N)CC1(C)C ZINC001485587000 1191850548 /nfs/dbraw/zinc/85/05/48/1191850548.db2.gz RVOWWBHHKNNOBT-GOSISDBHSA-N 2 2 342.487 2.225 10 30 EEEELP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@H+](Cc2ccccc2C#N)CC1(C)C ZINC001485587000 1191850549 /nfs/dbraw/zinc/85/05/49/1191850549.db2.gz RVOWWBHHKNNOBT-GOSISDBHSA-N 2 2 342.487 2.225 10 30 EEEELP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2C#N)CC1(C)C ZINC001485587000 1191850550 /nfs/dbraw/zinc/85/05/50/1191850550.db2.gz RVOWWBHHKNNOBT-GOSISDBHSA-N 2 2 342.487 2.225 10 30 EEEELP C=C(C)C[NH2+][C@@H](C)[C@H]1CN(C(=O)c2ccn3c(C)c[nH+]c3c2)CCO1 ZINC001485636667 1191864932 /nfs/dbraw/zinc/86/49/32/1191864932.db2.gz XZZPEFHNKVZZQG-DOTOQJQBSA-N 2 2 342.443 2.038 10 30 EEEELP C=CCCC[N@@H+]1CCCC2(CN(C(=O)[C@@H]3CCn4c[nH+]cc4C3)C2)C1 ZINC001485662750 1191882869 /nfs/dbraw/zinc/88/28/69/1191882869.db2.gz MCAVLXPMSOIPOB-QGZVFWFLSA-N 2 2 342.487 2.336 10 30 EEEELP C=CCCC[N@H+]1CCCC2(CN(C(=O)[C@@H]3CCn4c[nH+]cc4C3)C2)C1 ZINC001485662750 1191882872 /nfs/dbraw/zinc/88/28/72/1191882872.db2.gz MCAVLXPMSOIPOB-QGZVFWFLSA-N 2 2 342.487 2.336 10 30 EEEELP C=C(C)C[N@H+](C)C[C@H]1CCCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001266460207 1176575748 /nfs/dbraw/zinc/57/57/48/1176575748.db2.gz XNGCAELDBNEODP-SJORKVTESA-N 2 2 330.476 2.192 10 30 EEEELP C=C(C)C[N@@H+](C)C[C@H]1CCCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001266460207 1176575755 /nfs/dbraw/zinc/57/57/55/1176575755.db2.gz XNGCAELDBNEODP-SJORKVTESA-N 2 2 330.476 2.192 10 30 EEEELP C=CCC[NH2+][C@@H]1CCN(C(=O)Cc2c[nH+]ccc2OC)C[C@H]1CC ZINC001670582001 1176925267 /nfs/dbraw/zinc/92/52/67/1176925267.db2.gz POBSAYQRJLIDKI-NVXWUHKLSA-N 2 2 331.460 2.426 10 30 EEEELP C=CCCCCC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001670662375 1176979337 /nfs/dbraw/zinc/97/93/37/1176979337.db2.gz PMROEZOLPNEGTI-AEFFLSMTSA-N 2 2 330.476 2.382 10 30 EEEELP C=CCCCCC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001670662375 1176979343 /nfs/dbraw/zinc/97/93/43/1176979343.db2.gz PMROEZOLPNEGTI-AEFFLSMTSA-N 2 2 330.476 2.382 10 30 EEEELP C=C(C)CC[NH2+]C[C@H]1CCN(C(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC001267054532 1178160858 /nfs/dbraw/zinc/16/08/58/1178160858.db2.gz DPULWVJRACJJFF-MJGOQNOKSA-N 2 2 349.519 2.034 10 30 EEEELP C=C(C)CC[NH2+]C[C@H]1CCN(C(=O)[C@@H]2COCC[N@H+]2C2CCCC2)C1 ZINC001267054532 1178160863 /nfs/dbraw/zinc/16/08/63/1178160863.db2.gz DPULWVJRACJJFF-MJGOQNOKSA-N 2 2 349.519 2.034 10 30 EEEELP C=CCC[NH2+][C@H](CNC(=O)[C@@H]1CCn2c[nH+]cc2C1)c1ccccc1 ZINC001267519348 1179245363 /nfs/dbraw/zinc/24/53/63/1179245363.db2.gz DOSPPZDTOXCPER-IEBWSBKVSA-N 2 2 338.455 2.469 10 30 EEEELP C=C(C)C[N@H+]1CC[C@@H](N(CCC)C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001267545124 1179324316 /nfs/dbraw/zinc/32/43/16/1179324316.db2.gz ZCXUHGDGIFMJCF-DLBZAZTESA-N 2 2 330.476 2.335 10 30 EEEELP C=C(C)C[N@@H+]1CC[C@@H](N(CCC)C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001267545124 1179324317 /nfs/dbraw/zinc/32/43/17/1179324317.db2.gz ZCXUHGDGIFMJCF-DLBZAZTESA-N 2 2 330.476 2.335 10 30 EEEELP C=CC[N@@H+](C)C[C@@H]1CCN(C(=O)Cc2cn3cccc(C)c3[nH+]2)C1 ZINC001267591554 1179578109 /nfs/dbraw/zinc/57/81/09/1179578109.db2.gz GFCABLOKYAIAHL-INIZCTEOSA-N 2 2 326.444 2.152 10 30 EEEELP C=CC[N@H+](C)C[C@@H]1CCN(C(=O)Cc2cn3cccc(C)c3[nH+]2)C1 ZINC001267591554 1179578111 /nfs/dbraw/zinc/57/81/11/1179578111.db2.gz GFCABLOKYAIAHL-INIZCTEOSA-N 2 2 326.444 2.152 10 30 EEEELP C=CCCC[NH2+]C1(CNC(=O)[C@H]2CCc3[nH+]ccn3C2)CCCC1 ZINC001482223500 1184306775 /nfs/dbraw/zinc/30/67/75/1184306775.db2.gz VUMPWLLKZWKMTA-INIZCTEOSA-N 2 2 330.476 2.430 10 30 EEEELP C#CCC[NH2+]C[C@H](NC(=O)[C@H]1CCn2cc[nH+]c2C1)C1CCCCC1 ZINC001271341868 1186150284 /nfs/dbraw/zinc/15/02/84/1186150284.db2.gz SPVVFAUOLQSBRK-ROUUACIJSA-N 2 2 342.487 2.124 10 30 EEEELP C#CCC[NH2+]C[C@H](NC(=O)Cc1c[nH+]ccc1OC)C1CCCCC1 ZINC001271342122 1186150297 /nfs/dbraw/zinc/15/02/97/1186150297.db2.gz WFAXIUJJBAPLGS-SFHVURJKSA-N 2 2 343.471 2.311 10 30 EEEELP C=CCCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CCc1c[nH+]cn1C ZINC001272042613 1187231905 /nfs/dbraw/zinc/23/19/05/1187231905.db2.gz HKPBFJZOSSITNV-ZWKOTPCHSA-N 2 2 330.476 2.384 10 30 EEEELP C=CCCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CCc1c[nH+]cn1C ZINC001272042613 1187231908 /nfs/dbraw/zinc/23/19/08/1187231908.db2.gz HKPBFJZOSSITNV-ZWKOTPCHSA-N 2 2 330.476 2.384 10 30 EEEELP C=C(C)CC[NH2+]C1(C)CCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC001484919501 1191575189 /nfs/dbraw/zinc/57/51/89/1191575189.db2.gz DQUDOFZCGFRXIM-MRXNPFEDSA-N 2 2 330.476 2.382 10 30 EEEELP C=CCCC[NH+]1CCC2(CC1)CN(C(=O)CCc1c[nH]c[nH+]1)CCO2 ZINC001485007170 1191613128 /nfs/dbraw/zinc/61/31/28/1191613128.db2.gz RJQPIORSSCTYFO-UHFFFAOYSA-N 2 2 346.475 2.002 10 30 EEEELP C=CCCC[NH+]1CCC2(CC1)CN(C(=O)CCc1c[nH+]c[nH]1)CCO2 ZINC001485007170 1191613129 /nfs/dbraw/zinc/61/31/29/1191613129.db2.gz RJQPIORSSCTYFO-UHFFFAOYSA-N 2 2 346.475 2.002 10 30 EEEELP C=C(C)C[NH2+]Cc1ccc(CNC(=O)CCc2c[nH]c[nH+]2)c(F)c1 ZINC001486523903 1194046603 /nfs/dbraw/zinc/04/66/03/1194046603.db2.gz JGLKOQKIYZZYLR-UHFFFAOYSA-N 2 2 330.407 2.464 10 30 EEEELP C=C(C)C[NH2+]Cc1ccc(CNC(=O)CCc2c[nH+]c[nH]2)c(F)c1 ZINC001486523903 1194046609 /nfs/dbraw/zinc/04/66/09/1194046609.db2.gz JGLKOQKIYZZYLR-UHFFFAOYSA-N 2 2 330.407 2.464 10 30 EEEELP C=C(Cl)C[C@@H]([NH3+])c1nc(-c2ccc(N3CC[NH+](C)CC3)nc2)no1 ZINC000872178851 1198074518 /nfs/dbraw/zinc/07/45/18/1198074518.db2.gz UOPLNIQNPJYKOP-CYBMUJFWSA-N 2 2 348.838 2.026 10 30 EEEELP C#C[C@@H]1CCC[N@H+](Cc2ccc(OCC[NH+]3CCOCC3)cc2)C1 ZINC000877616772 1199984559 /nfs/dbraw/zinc/98/45/59/1199984559.db2.gz HHRRHEYTIUCIEN-GOSISDBHSA-N 2 2 328.456 2.243 10 30 EEEELP C#C[C@@H]1CCC[N@@H+](Cc2ccc(OCC[NH+]3CCOCC3)cc2)C1 ZINC000877616772 1199984566 /nfs/dbraw/zinc/98/45/66/1199984566.db2.gz HHRRHEYTIUCIEN-GOSISDBHSA-N 2 2 328.456 2.243 10 30 EEEELP C[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1)c1cccc(C#N)c1O ZINC000866269316 1201481034 /nfs/dbraw/zinc/48/10/34/1201481034.db2.gz HUMSBCMKKKQEIX-GJZGRUSLSA-N 2 2 329.444 2.415 10 30 EEEELP C=C(C)CC[NH2+][C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CC[C@@H]1C(F)(F)F ZINC001279174872 1205284781 /nfs/dbraw/zinc/28/47/81/1205284781.db2.gz XBJTWGLZEJPIKT-QWHCGFSZSA-N 2 2 344.381 2.287 10 30 EEEELP CC[C@@H]([NH2+]CCCN1CC[NH+](CC)CC1)c1cccc(C#N)c1O ZINC000924654549 1206011962 /nfs/dbraw/zinc/01/19/62/1206011962.db2.gz JRMIFHZSKNIVIW-GOSISDBHSA-N 2 2 330.476 2.332 10 30 EEEELP CCCCCCC[NH+]1CC2(C1)CN(C(=O)[C@H](CC)[NH+](C)C)CCO2 ZINC001273630281 1281743941 /nfs/dbraw/zinc/74/39/41/1281743941.db2.gz MVKNXTUOTRCWHH-KRWDZBQOSA-N 2 2 339.524 2.210 10 30 EEEELP CC#CC[NH2+]CCCCCCN(C)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001264043334 1322597067 /nfs/dbraw/zinc/59/70/67/1322597067.db2.gz QJEVDUFVXCVUJV-KRWDZBQOSA-N 2 2 330.476 2.077 10 30 EEEELP C=CCC[C@@H](C)[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001264432108 1322700793 /nfs/dbraw/zinc/70/07/93/1322700793.db2.gz KCDXMTZWFKZTGY-WRQOLXDDSA-N 2 2 330.476 2.363 10 30 EEEELP C#CC[NH2+][C@H](CCN(C)C(=O)Cc1cn2cccc(C)c2[nH+]1)C(C)C ZINC001282570112 1325742538 /nfs/dbraw/zinc/74/25/38/1325742538.db2.gz XSPGYCXVDPFEPL-GOSISDBHSA-N 2 2 340.471 2.281 10 30 EEEELP C=C(C)C[NH2+][C@@H](C)C1CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC001317673004 1332363652 /nfs/dbraw/zinc/36/36/52/1332363652.db2.gz DFWWLQYLDFBOJD-DOTOQJQBSA-N 2 2 330.476 2.238 10 30 EEEELP C#CCC[NH2+][C@@H]1CCN(C(=O)Cc2cn3cccc(C)c3[nH+]2)[C@@H](C)C1 ZINC001324086738 1333605836 /nfs/dbraw/zinc/60/58/36/1333605836.db2.gz HCCARVWONRNTDE-DLBZAZTESA-N 2 2 338.455 2.178 10 30 EEEELP C=C(C)CC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)Cc2c[nH+]ccc2OC)C1 ZINC001325419016 1333882933 /nfs/dbraw/zinc/88/29/33/1333882933.db2.gz SPAXCXDANTWSNR-JKSUJKDBSA-N 2 2 331.460 2.426 10 30 EEEELP C#CCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)CCCn1cc[nH+]c1)C2 ZINC001327539755 1334311756 /nfs/dbraw/zinc/31/17/56/1334311756.db2.gz FBQWOFBEUHYABV-LJQANCHMSA-N 2 2 328.460 2.001 10 30 EEEELP C#CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CCCn1cc[nH+]c1)C2 ZINC001327539755 1334311758 /nfs/dbraw/zinc/31/17/58/1334311758.db2.gz FBQWOFBEUHYABV-LJQANCHMSA-N 2 2 328.460 2.001 10 30 EEEELP CC#CC[N@@H+]1CCC[C@H](NC(=O)C[NH+](C)Cc2ccccc2)[C@H]1C ZINC001332216325 1335769101 /nfs/dbraw/zinc/76/91/01/1335769101.db2.gz DRJCEGMOPUXBHL-MJGOQNOKSA-N 2 2 327.472 2.111 10 30 EEEELP CC#CC[N@H+]1CCC[C@H](NC(=O)C[NH+](C)Cc2ccccc2)[C@H]1C ZINC001332216325 1335769106 /nfs/dbraw/zinc/76/91/06/1335769106.db2.gz DRJCEGMOPUXBHL-MJGOQNOKSA-N 2 2 327.472 2.111 10 30 EEEELP CC#CC[NH+]1CCC[C@H](NC(=O)C[N@H+](C)Cc2ccccc2)[C@H]1C ZINC001332216325 1335769109 /nfs/dbraw/zinc/76/91/09/1335769109.db2.gz DRJCEGMOPUXBHL-MJGOQNOKSA-N 2 2 327.472 2.111 10 30 EEEELP CC#CC[NH+]1CCC[C@H](NC(=O)C[N@@H+](C)Cc2ccccc2)[C@H]1C ZINC001332216325 1335769114 /nfs/dbraw/zinc/76/91/14/1335769114.db2.gz DRJCEGMOPUXBHL-MJGOQNOKSA-N 2 2 327.472 2.111 10 30 EEEELP C=C(Br)C[NH+](C)CCCNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001479816690 1337399415 /nfs/dbraw/zinc/39/94/15/1337399415.db2.gz XBOZOFHVYKDYTJ-AWEZNQCLSA-N 2 2 346.313 2.208 10 30 EEEELP C=C(Br)C[NH+](C)CCCNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001479816690 1337399420 /nfs/dbraw/zinc/39/94/20/1337399420.db2.gz XBOZOFHVYKDYTJ-AWEZNQCLSA-N 2 2 346.313 2.208 10 30 EEEELP C=C(Br)C[N@H+](C)CCCNC(=O)[C@@H]1CCCC[NH+]1CC ZINC001479816690 1337399427 /nfs/dbraw/zinc/39/94/27/1337399427.db2.gz XBOZOFHVYKDYTJ-AWEZNQCLSA-N 2 2 346.313 2.208 10 30 EEEELP C=C(C)CC[NH2+][C@@H](CNC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1)C1CC1 ZINC001566712046 1342610689 /nfs/dbraw/zinc/61/06/89/1342610689.db2.gz AEMAOBAGYLGGJB-ROUUACIJSA-N 2 2 345.491 2.241 10 30 EEEELP C=C(C)CC[NH2+][C@@H](CNC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1)C1CC1 ZINC001566712046 1342610691 /nfs/dbraw/zinc/61/06/91/1342610691.db2.gz AEMAOBAGYLGGJB-ROUUACIJSA-N 2 2 345.491 2.241 10 30 EEEELP CC#CC[NH+]1CCC(N(CCC)C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001661094481 1354589989 /nfs/dbraw/zinc/58/99/89/1354589989.db2.gz PNWLUZGQFSIWKM-QZTJIDSGSA-N 2 2 342.487 2.250 10 30 EEEELP C=C(C)C[NH2+]C[C@H](CC(C)C)NC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1 ZINC001667086293 1355646633 /nfs/dbraw/zinc/64/66/33/1355646633.db2.gz IYDICDUDELSDSD-MAUKXSAKSA-N 2 2 347.507 2.487 10 30 EEEELP C=C(C)C[NH2+]C[C@H](CC(C)C)NC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1 ZINC001667086293 1355646636 /nfs/dbraw/zinc/64/66/36/1355646636.db2.gz IYDICDUDELSDSD-MAUKXSAKSA-N 2 2 347.507 2.487 10 30 EEEELP C#CCN(C(=O)C[C@H](C)n1cc[nH+]c1)C1CC[NH+](CC(=C)C)CC1 ZINC001671496654 1356349765 /nfs/dbraw/zinc/34/97/65/1356349765.db2.gz GISKREDOABVRTI-KRWDZBQOSA-N 2 2 328.460 2.337 10 30 EEEELP C=CCC[C@H](C)[N@H+]1C[C@H]2CN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C[C@H]2C1 ZINC001672442428 1356523859 /nfs/dbraw/zinc/52/38/59/1356523859.db2.gz HFNAOTVBUIVBFE-HRCADAONSA-N 2 2 330.476 2.432 10 30 EEEELP C=CCC[C@H](C)[N@@H+]1C[C@H]2CN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C[C@H]2C1 ZINC001672442428 1356523863 /nfs/dbraw/zinc/52/38/63/1356523863.db2.gz HFNAOTVBUIVBFE-HRCADAONSA-N 2 2 330.476 2.432 10 30 EEEELP C=C(C)CC[N@@H+]1CCO[C@@H](CNC(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001698788855 1405058511 /nfs/dbraw/zinc/05/85/11/1405058511.db2.gz RTBZJYSMOOXAJC-IRXDYDNUSA-N 2 2 348.491 2.180 10 30 EEEELP C=C(C)CC[N@H+]1CCO[C@@H](CNC(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001698788855 1405058520 /nfs/dbraw/zinc/05/85/20/1405058520.db2.gz RTBZJYSMOOXAJC-IRXDYDNUSA-N 2 2 348.491 2.180 10 30 EEEELP CCCCCCC[NH+]1CCC(C)(NC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001699771874 1405479134 /nfs/dbraw/zinc/47/91/34/1405479134.db2.gz PIXVSZFUKAMPHK-QGZVFWFLSA-N 2 2 339.524 2.258 10 30 EEEELP CCCCCCC[NH+]1CCC(C)(NC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001699771874 1405479140 /nfs/dbraw/zinc/47/91/40/1405479140.db2.gz PIXVSZFUKAMPHK-QGZVFWFLSA-N 2 2 339.524 2.258 10 30 EEEELP C=CCC[C@H](C)[N@H+]1C[C@H]2CN(C(=O)[C@H]3CCn4c[nH+]cc4C3)C[C@H]2C1 ZINC001699989119 1405641337 /nfs/dbraw/zinc/64/13/37/1405641337.db2.gz FCIHRLOUMZCOES-XLAORIBOSA-N 2 2 342.487 2.190 10 30 EEEELP C=CCC[C@H](C)[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CCn4c[nH+]cc4C3)C[C@H]2C1 ZINC001699989119 1405641344 /nfs/dbraw/zinc/64/13/44/1405641344.db2.gz FCIHRLOUMZCOES-XLAORIBOSA-N 2 2 342.487 2.190 10 30 EEEELP C=CCc1ccc(OC[C@@H](O)C[NH2+][C@H]2CC[NH2+]C23CCC3)c(OC)c1 ZINC000923397132 789492736 /nfs/dbraw/zinc/49/27/36/789492736.db2.gz AGVFBGKRCSMECS-LPHOPBHVSA-N 2 2 346.471 2.038 10 30 EEEELP C=CCc1ccc(OC[C@H](O)C[N@@H+]2CCCCC[C@H]([NH3+])C2)c(OC)c1 ZINC000923409700 789515882 /nfs/dbraw/zinc/51/58/82/789515882.db2.gz DNBCJBGXSHMIIG-ZWKOTPCHSA-N 2 2 348.487 2.367 10 30 EEEELP C=CCc1ccc(OC[C@H](O)C[N@H+]2CCCCC[C@H]([NH3+])C2)c(OC)c1 ZINC000923409700 789515888 /nfs/dbraw/zinc/51/58/88/789515888.db2.gz DNBCJBGXSHMIIG-ZWKOTPCHSA-N 2 2 348.487 2.367 10 30 EEEELP C#CC[NH+]1CCC(C(=O)NCCn2c[nH+]cc2-c2ccccc2)CC1 ZINC000913710262 794163377 /nfs/dbraw/zinc/16/33/77/794163377.db2.gz JFXBVNORTGKTPJ-UHFFFAOYSA-N 2 2 336.439 2.012 10 30 EEEELP CC#CC[N@@H+]1CC[C@@H](NC(=O)C[C@H](C)n2cc[nH+]c2)CC(C)(C)C1 ZINC001566131324 1125583786 /nfs/dbraw/zinc/58/37/86/1125583786.db2.gz KHDILKFSKSIQKF-DLBZAZTESA-N 2 2 330.476 2.464 10 30 EEEELP CC#CC[N@H+]1CC[C@@H](NC(=O)C[C@H](C)n2cc[nH+]c2)CC(C)(C)C1 ZINC001566131324 1125583790 /nfs/dbraw/zinc/58/37/90/1125583790.db2.gz KHDILKFSKSIQKF-DLBZAZTESA-N 2 2 330.476 2.464 10 30 EEEELP C=C(Br)C[NH2+][C@H](C)CN(C)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001448775898 1093854642 /nfs/dbraw/zinc/85/46/42/1093854642.db2.gz SOYVJLUEKKKKCU-LLVKDONJSA-N 2 2 343.269 2.032 10 30 EEEELP C=CCC[NH2+]C[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CC[C@@H]1C(F)(F)F ZINC001479626009 1098651350 /nfs/dbraw/zinc/65/13/50/1098651350.db2.gz SMFPXOUSKLESJS-JSGCOSHPSA-N 2 2 344.381 2.145 10 30 EEEELP C[NH+](C)CC#CCNC(=O)N1CCC[C@@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001471630662 1110526211 /nfs/dbraw/zinc/52/62/11/1110526211.db2.gz OIWQRCFJTOEUQA-MRXNPFEDSA-N 2 2 345.491 2.092 10 30 EEEELP C#CC[N@@H+](CCNC(=O)Cc1c[nH+]ccc1OC)C1CCCCCC1 ZINC001499519246 1112336389 /nfs/dbraw/zinc/33/63/89/1112336389.db2.gz RLCMRVFEVZPTST-UHFFFAOYSA-N 2 2 343.471 2.407 10 30 EEEELP C#CC[N@H+](CCNC(=O)Cc1c[nH+]ccc1OC)C1CCCCCC1 ZINC001499519246 1112336394 /nfs/dbraw/zinc/33/63/94/1112336394.db2.gz RLCMRVFEVZPTST-UHFFFAOYSA-N 2 2 343.471 2.407 10 30 EEEELP C=CCCC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3CCc4c[nH+]cn4C3)[C@@H]2C1 ZINC001501419440 1113353373 /nfs/dbraw/zinc/35/33/73/1113353373.db2.gz MOKCLHKTVXUDPC-YQVWRLOYSA-N 2 2 342.487 2.335 10 30 EEEELP C=CCCC[N@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3CCc4c[nH+]cn4C3)[C@@H]2C1 ZINC001501419440 1113353376 /nfs/dbraw/zinc/35/33/76/1113353376.db2.gz MOKCLHKTVXUDPC-YQVWRLOYSA-N 2 2 342.487 2.335 10 30 EEEELP C=C(C)C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)CCc3[nH+]ccn3C)C[C@@H]2C1 ZINC001506860599 1114927259 /nfs/dbraw/zinc/92/72/59/1114927259.db2.gz XKFHJNYACNDFAW-GVDBMIGSSA-N 2 2 330.476 2.146 10 30 EEEELP C=C(C)C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)CCc3[nH+]ccn3C)C[C@@H]2C1 ZINC001506860599 1114927263 /nfs/dbraw/zinc/92/72/63/1114927263.db2.gz XKFHJNYACNDFAW-GVDBMIGSSA-N 2 2 330.476 2.146 10 30 EEEELP C=CCC[C@@H](C)[N@@H+]1CCO[C@H](CNC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001568220671 1124364049 /nfs/dbraw/zinc/36/40/49/1124364049.db2.gz VSQOYPPZLILYGT-IAGOWNOFSA-N 2 2 348.491 2.098 10 30 EEEELP C=CCC[C@@H](C)[N@H+]1CCO[C@H](CNC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001568220671 1124364052 /nfs/dbraw/zinc/36/40/52/1124364052.db2.gz VSQOYPPZLILYGT-IAGOWNOFSA-N 2 2 348.491 2.098 10 30 EEEELP COc1ccc(C#N)cc1C[NH+]1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000160081905 463319115 /nfs/dbraw/zinc/31/91/15/463319115.db2.gz SILZEVDVTMDDOR-IBGZPJMESA-N 2 2 342.487 2.169 10 30 EEEELP COc1ccc(C#N)cc1C[NH+]1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000160081905 463319119 /nfs/dbraw/zinc/31/91/19/463319119.db2.gz SILZEVDVTMDDOR-IBGZPJMESA-N 2 2 342.487 2.169 10 30 EEEELP C=CC[NH+]1CCC(NC(=O)NCc2cn3cc(Cl)ccc3[nH+]2)CC1 ZINC000358797315 465328724 /nfs/dbraw/zinc/32/87/24/465328724.db2.gz VZCPMMCQMNZCII-UHFFFAOYSA-N 2 2 347.850 2.437 10 30 EEEELP CC1CCN(c2ccc(CNC(=O)[C@H]([NH3+])CCCCC#N)c[nH+]2)CC1 ZINC000594440872 468589242 /nfs/dbraw/zinc/58/92/42/468589242.db2.gz IUYIOIFPFBTFHO-QGZVFWFLSA-N 2 2 343.475 2.345 10 30 EEEELP CCC[N@H+](C)CC(=O)N(C)C[C@H]1CC[NH+]1CC#Cc1ccc(F)cc1 ZINC001691068564 1177507035 /nfs/dbraw/zinc/50/70/35/1177507035.db2.gz PAUXZRWFJNRYNF-LJQANCHMSA-N 2 2 345.462 2.052 10 30 EEEELP CCC[N@@H+](C)CC(=O)N(C)C[C@H]1CC[NH+]1CC#Cc1ccc(F)cc1 ZINC001691068564 1177507041 /nfs/dbraw/zinc/50/70/41/1177507041.db2.gz PAUXZRWFJNRYNF-LJQANCHMSA-N 2 2 345.462 2.052 10 30 EEEELP CCC[NH+](C)CC(=O)N(C)C[C@H]1CC[N@@H+]1CC#Cc1ccc(F)cc1 ZINC001691068564 1177507047 /nfs/dbraw/zinc/50/70/47/1177507047.db2.gz PAUXZRWFJNRYNF-LJQANCHMSA-N 2 2 345.462 2.052 10 30 EEEELP CCC[NH+](C)CC(=O)N(C)C[C@H]1CC[N@H+]1CC#Cc1ccc(F)cc1 ZINC001691068564 1177507052 /nfs/dbraw/zinc/50/70/52/1177507052.db2.gz PAUXZRWFJNRYNF-LJQANCHMSA-N 2 2 345.462 2.052 10 30 EEEELP CC[N@H+](C)CCC(=O)NCC1C[NH+](CC#Cc2cccc(Cl)c2)C1 ZINC001267696721 1180197600 /nfs/dbraw/zinc/19/76/00/1180197600.db2.gz YLGBVHRDZNEVOT-UHFFFAOYSA-N 2 2 347.890 2.081 10 30 EEEELP CC[N@@H+](C)CCC(=O)NCC1C[NH+](CC#Cc2cccc(Cl)c2)C1 ZINC001267696721 1180197605 /nfs/dbraw/zinc/19/76/05/1180197605.db2.gz YLGBVHRDZNEVOT-UHFFFAOYSA-N 2 2 347.890 2.081 10 30 EEEELP C=CCC[C@@H](C)[N@@H+]1CCO[C@H](CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001268024814 1181043128 /nfs/dbraw/zinc/04/31/28/1181043128.db2.gz LQHVAPQEZFNKGI-GDBMZVCRSA-N 2 2 342.443 2.348 10 30 EEEELP C=CCC[C@@H](C)[N@H+]1CCO[C@H](CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001268024814 1181043136 /nfs/dbraw/zinc/04/31/36/1181043136.db2.gz LQHVAPQEZFNKGI-GDBMZVCRSA-N 2 2 342.443 2.348 10 30 EEEELP C[C@H](C[NH2+]CC#Cc1ccccc1)N(C)C(=O)c1cccc2[nH+]ccn21 ZINC001482309047 1185272139 /nfs/dbraw/zinc/27/21/39/1185272139.db2.gz RJGCRJXESJXOQY-QGZVFWFLSA-N 2 2 346.434 2.436 10 30 EEEELP C=CC[NH+]1CCC[C@](C)(CNC(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC001270981873 1185788490 /nfs/dbraw/zinc/78/84/90/1185788490.db2.gz DBAYNUJZXWHPRZ-AZUAARDMSA-N 2 2 349.519 2.034 10 30 EEEELP C=CC[NH+]1CCC[C@](C)(CNC(=O)[C@@H]2COCC[N@H+]2C2CCCC2)C1 ZINC001270981873 1185788493 /nfs/dbraw/zinc/78/84/93/1185788493.db2.gz DBAYNUJZXWHPRZ-AZUAARDMSA-N 2 2 349.519 2.034 10 30 EEEELP C=CC[N@H+]1CCC[C@](C)(CNC(=O)[C@@H]2COCC[NH+]2C2CCCC2)C1 ZINC001270981873 1185788497 /nfs/dbraw/zinc/78/84/97/1185788497.db2.gz DBAYNUJZXWHPRZ-AZUAARDMSA-N 2 2 349.519 2.034 10 30 EEEELP C=CC[N@@H+]1CCC[C@](C)(CNC(=O)[C@@H]2COCC[NH+]2C2CCCC2)C1 ZINC001270981873 1185788500 /nfs/dbraw/zinc/78/85/00/1185788500.db2.gz DBAYNUJZXWHPRZ-AZUAARDMSA-N 2 2 349.519 2.034 10 30 EEEELP C#CC[N@H+]1CCC[C@]2(CCN(C(=O)[C@@H](CC(C)C)n3cc[nH+]c3)C2)C1 ZINC001483831264 1191067795 /nfs/dbraw/zinc/06/77/95/1191067795.db2.gz XGUUHPGLPBPACK-QUCCMNQESA-N 2 2 342.487 2.418 10 30 EEEELP C#CC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@@H](CC(C)C)n3cc[nH+]c3)C2)C1 ZINC001483831264 1191067797 /nfs/dbraw/zinc/06/77/97/1191067797.db2.gz XGUUHPGLPBPACK-QUCCMNQESA-N 2 2 342.487 2.418 10 30 EEEELP CC[N@H+](C)CCC(=O)N[C@]1(C)CC[NH+](Cc2cc(F)ccc2C#N)C1 ZINC001484065688 1191185882 /nfs/dbraw/zinc/18/58/82/1191185882.db2.gz YIKJKGMXSZWGIY-LJQANCHMSA-N 2 2 346.450 2.120 10 30 EEEELP CC[N@@H+](C)CCC(=O)N[C@]1(C)CC[NH+](Cc2cc(F)ccc2C#N)C1 ZINC001484065688 1191185883 /nfs/dbraw/zinc/18/58/83/1191185883.db2.gz YIKJKGMXSZWGIY-LJQANCHMSA-N 2 2 346.450 2.120 10 30 EEEELP CC[NH+](C)CCC(=O)N[C@]1(C)CC[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC001484065688 1191185884 /nfs/dbraw/zinc/18/58/84/1191185884.db2.gz YIKJKGMXSZWGIY-LJQANCHMSA-N 2 2 346.450 2.120 10 30 EEEELP CC[NH+](C)CCC(=O)N[C@]1(C)CC[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC001484065688 1191185885 /nfs/dbraw/zinc/18/58/85/1191185885.db2.gz YIKJKGMXSZWGIY-LJQANCHMSA-N 2 2 346.450 2.120 10 30 EEEELP CC#CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)c3cc4c[nH+]ccc4[nH]3)C[C@H]21 ZINC001486161845 1193707149 /nfs/dbraw/zinc/70/71/49/1193707149.db2.gz QBSJNLZDOLTDJV-YXJHDRRASA-N 2 2 336.439 2.417 10 30 EEEELP C=CCC[NH2+][C@H]1CN(C(=O)CCn2cc[nH+]c2)CC[C@@H]1C(F)(F)F ZINC001486452125 1193973522 /nfs/dbraw/zinc/97/35/22/1193973522.db2.gz FKFJHOOEDXCECM-KBPBESRZSA-N 2 2 344.381 2.218 10 30 EEEELP C=CCCC[NH2+]C[C@H]1CCCCN1C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001272973893 1194282993 /nfs/dbraw/zinc/28/29/93/1194282993.db2.gz IAUPDSRAIVBOJU-DLBZAZTESA-N 2 2 330.476 2.382 10 30 EEEELP C=CCCCCC[NH2+][C@H]1CCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001490829971 1205915967 /nfs/dbraw/zinc/91/59/67/1205915967.db2.gz BFWMXTQMTOJMHA-IRXDYDNUSA-N 2 2 330.476 2.382 10 30 EEEELP C=C(C)C[NH2+]C1(CC)CCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC001273769972 1285285003 /nfs/dbraw/zinc/28/50/03/1285285003.db2.gz MTOZEHJRPHJTGW-INIZCTEOSA-N 2 2 330.476 2.382 10 30 EEEELP C#CCC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001266102409 1323666267 /nfs/dbraw/zinc/66/62/67/1323666267.db2.gz JRYQINJSBRTMEA-MSOLQXFVSA-N 2 2 330.476 2.416 10 30 EEEELP C#CCC[N@H+](C)[C@@H]1CCCN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001266102409 1323666275 /nfs/dbraw/zinc/66/62/75/1323666275.db2.gz JRYQINJSBRTMEA-MSOLQXFVSA-N 2 2 330.476 2.416 10 30 EEEELP C=CCCC[NH+]1CCC2(CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C2)CC1 ZINC001280392177 1324195452 /nfs/dbraw/zinc/19/54/52/1324195452.db2.gz RYRCHKXPRORZCC-IAGOWNOFSA-N 2 2 342.487 2.414 10 30 EEEELP C=CCC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)CCn1cc[nH+]c1 ZINC001281073107 1324753337 /nfs/dbraw/zinc/75/33/37/1324753337.db2.gz VACNZMMJOAKBAJ-IBGZPJMESA-N 2 2 338.455 2.392 10 30 EEEELP C=CCC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)CCn1cc[nH+]c1 ZINC001281073107 1324753343 /nfs/dbraw/zinc/75/33/43/1324753343.db2.gz VACNZMMJOAKBAJ-IBGZPJMESA-N 2 2 338.455 2.392 10 30 EEEELP C#CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001316643998 1327543531 /nfs/dbraw/zinc/54/35/31/1327543531.db2.gz JOIPYWDOISEAMS-YTQUADARSA-N 2 2 336.439 2.052 10 30 EEEELP C#CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001316643998 1327543532 /nfs/dbraw/zinc/54/35/32/1327543532.db2.gz JOIPYWDOISEAMS-YTQUADARSA-N 2 2 336.439 2.052 10 30 EEEELP C[C@@H](CC[NH2+]CC#Cc1ccccc1)NC(=O)CCCn1cc[nH+]c1 ZINC001320653078 1332930048 /nfs/dbraw/zinc/93/00/48/1332930048.db2.gz RXTIMPCRXKXEGM-SFHVURJKSA-N 2 2 338.455 2.199 10 30 EEEELP C=CCCC[NH+]1CCC(C)(NC(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC001324323062 1333658006 /nfs/dbraw/zinc/65/80/06/1333658006.db2.gz PMAOCMSONSGIBN-INIZCTEOSA-N 2 2 330.476 2.382 10 30 EEEELP C=CCC[C@H](C)[N@H+](C)C[C@@H]1CCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC001567741176 1342830122 /nfs/dbraw/zinc/83/01/22/1342830122.db2.gz CCUZJROAMBHCLX-IRXDYDNUSA-N 2 2 332.492 2.488 10 30 EEEELP C=CCC[C@H](C)[N@@H+](C)C[C@@H]1CCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC001567741176 1342830124 /nfs/dbraw/zinc/83/01/24/1342830124.db2.gz CCUZJROAMBHCLX-IRXDYDNUSA-N 2 2 332.492 2.488 10 30 EEEELP C=CCC[N@H+](CC1CC1)C1CCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC001569452374 1342872945 /nfs/dbraw/zinc/87/29/45/1342872945.db2.gz VAEXARBLOYIRTA-UHFFFAOYSA-N 2 2 330.476 2.242 10 30 EEEELP C=CCC[N@@H+](CC1CC1)C1CCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC001569452374 1342872946 /nfs/dbraw/zinc/87/29/46/1342872946.db2.gz VAEXARBLOYIRTA-UHFFFAOYSA-N 2 2 330.476 2.242 10 30 EEEELP C=CCOCC[NH2+]C[C@H]1CC[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001571538853 1343231864 /nfs/dbraw/zinc/23/18/64/1343231864.db2.gz VCBXNJOURHFMLO-GOEBONIOSA-N 2 2 342.443 2.254 10 30 EEEELP C=CC[N@H+]1CC[C@@H](N(CCC)C(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001691864651 1404951597 /nfs/dbraw/zinc/95/15/97/1404951597.db2.gz QUDFZCOEIAYFEB-MRXNPFEDSA-N 2 2 346.475 2.383 10 30 EEEELP C=CC[N@@H+]1CC[C@@H](N(CCC)C(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001691864651 1404951602 /nfs/dbraw/zinc/95/16/02/1404951602.db2.gz QUDFZCOEIAYFEB-MRXNPFEDSA-N 2 2 346.475 2.383 10 30 EEEELP C=C(Cl)C[N@@H+]1CC[C@@H](CCNC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001437941891 1090535933 /nfs/dbraw/zinc/53/59/33/1090535933.db2.gz XJLZOXHOIJDXCN-CABCVRRESA-N 2 2 336.867 2.026 10 30 EEEELP C=C(Cl)C[N@H+]1CC[C@@H](CCNC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001437941891 1090535937 /nfs/dbraw/zinc/53/59/37/1090535937.db2.gz XJLZOXHOIJDXCN-CABCVRRESA-N 2 2 336.867 2.026 10 30 EEEELP C=C(Cl)C[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001437988441 1090582476 /nfs/dbraw/zinc/58/24/76/1090582476.db2.gz POBXYPNMYZTSJD-RBSFLKMASA-N 2 2 336.867 2.056 10 30 EEEELP C=C(Cl)C[N@H+](C)C[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001437988441 1090582480 /nfs/dbraw/zinc/58/24/80/1090582480.db2.gz POBXYPNMYZTSJD-RBSFLKMASA-N 2 2 336.867 2.056 10 30 EEEELP C[NH+](C)CCCC(=O)N[C@@]1(C)CC[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC001439845742 1092856323 /nfs/dbraw/zinc/85/63/23/1092856323.db2.gz DMIMXOMPBOMLTR-IBGZPJMESA-N 2 2 346.450 2.120 10 30 EEEELP C[NH+](C)CCCC(=O)N[C@@]1(C)CC[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC001439845742 1092856328 /nfs/dbraw/zinc/85/63/28/1092856328.db2.gz DMIMXOMPBOMLTR-IBGZPJMESA-N 2 2 346.450 2.120 10 30 EEEELP N#Cc1ccc(C[N@H+]2CCCC[C@@H]2CNC(=O)C[NH+]2CCCC2)s1 ZINC001480332929 1100094523 /nfs/dbraw/zinc/09/45/23/1100094523.db2.gz UTUISXZPVNJNTN-OAHLLOKOSA-N 2 2 346.500 2.186 10 30 EEEELP N#Cc1ccc(C[N@@H+]2CCCC[C@@H]2CNC(=O)C[NH+]2CCCC2)s1 ZINC001480332929 1100094529 /nfs/dbraw/zinc/09/45/29/1100094529.db2.gz UTUISXZPVNJNTN-OAHLLOKOSA-N 2 2 346.500 2.186 10 30 EEEELP C=C(C)C[NH+]1CC2(C1)CC[C@@H](CNC(=O)C(C)(C)[NH+]1CCCCC1)O2 ZINC001502433728 1113680627 /nfs/dbraw/zinc/68/06/27/1113680627.db2.gz LUTQZBFQKILFIB-KRWDZBQOSA-N 2 2 349.519 2.177 10 30 EEEELP C=CCCC[N@@H+]1CCO[C@]2(CCN(C(=O)C[C@H](C)n3cc[nH+]c3)C2)C1 ZINC001506726920 1114837455 /nfs/dbraw/zinc/83/74/55/1114837455.db2.gz FLLUGBZRERVTIN-PKOBYXMFSA-N 2 2 346.475 2.104 10 30 EEEELP C=CCCC[N@H+]1CCO[C@]2(CCN(C(=O)C[C@H](C)n3cc[nH+]c3)C2)C1 ZINC001506726920 1114837457 /nfs/dbraw/zinc/83/74/57/1114837457.db2.gz FLLUGBZRERVTIN-PKOBYXMFSA-N 2 2 346.475 2.104 10 30 EEEELP C=CCOc1ccccc1C[NH+]1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000678258518 539986509 /nfs/dbraw/zinc/98/65/09/539986509.db2.gz BILXJYIYFUWXBL-IBGZPJMESA-N 2 2 329.488 2.463 10 30 EEEELP C=CCOc1ccccc1C[NH+]1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000678258518 539986511 /nfs/dbraw/zinc/98/65/11/539986511.db2.gz BILXJYIYFUWXBL-IBGZPJMESA-N 2 2 329.488 2.463 10 30 EEEELP C[N@@H+]1CCCC[C@H]1CN1CC[NH+](CCOc2ccccc2C#N)CC1 ZINC000109752665 204291599 /nfs/dbraw/zinc/29/15/99/204291599.db2.gz OCQVJFKHJYUPAZ-IBGZPJMESA-N 2 2 342.487 2.039 10 30 EEEELP C[N@H+]1CCCC[C@H]1CN1CC[NH+](CCOc2ccccc2C#N)CC1 ZINC000109752665 204291603 /nfs/dbraw/zinc/29/16/03/204291603.db2.gz OCQVJFKHJYUPAZ-IBGZPJMESA-N 2 2 342.487 2.039 10 30 EEEELP CC(C)(C)[NH+]1CCC([NH2+]CCS(=O)(=O)c2cccc(C#N)c2)CC1 ZINC000565887421 319224030 /nfs/dbraw/zinc/22/40/30/319224030.db2.gz PHHBVZUMKRGFOW-UHFFFAOYSA-N 2 2 349.500 2.184 10 30 EEEELP C[NH+](C)[C@@H]1CCCN(C(=O)N[C@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)C1 ZINC000329224996 465272394 /nfs/dbraw/zinc/27/23/94/465272394.db2.gz CTWZGQZYBGQXTQ-LSDHHAIUSA-N 2 2 347.507 2.435 10 30 EEEELP COc1cc(C#N)ccc1C[NH+]1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000120904661 463052892 /nfs/dbraw/zinc/05/28/92/463052892.db2.gz ZIVZJDYPXNGWQF-LJQANCHMSA-N 2 2 342.487 2.169 10 30 EEEELP COc1cc(C#N)ccc1C[NH+]1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000120904661 463052897 /nfs/dbraw/zinc/05/28/97/463052897.db2.gz ZIVZJDYPXNGWQF-LJQANCHMSA-N 2 2 342.487 2.169 10 30 EEEELP C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000195515905 464064697 /nfs/dbraw/zinc/06/46/97/464064697.db2.gz HTAIYYUDIKBBMD-DLBZAZTESA-N 2 2 328.460 2.405 10 30 EEEELP C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000195515905 464064700 /nfs/dbraw/zinc/06/47/00/464064700.db2.gz HTAIYYUDIKBBMD-DLBZAZTESA-N 2 2 328.460 2.405 10 30 EEEELP N#CCCCOc1cccc(C[NH2+]C[C@H]2CCCC[N@H+]2CCO)c1 ZINC000449397025 467638419 /nfs/dbraw/zinc/63/84/19/467638419.db2.gz UEPXSEWOSHELRE-GOSISDBHSA-N 2 2 331.460 2.306 10 30 EEEELP N#CCCCOc1cccc(C[NH2+]C[C@H]2CCCC[N@@H+]2CCO)c1 ZINC000449397025 467638421 /nfs/dbraw/zinc/63/84/21/467638421.db2.gz UEPXSEWOSHELRE-GOSISDBHSA-N 2 2 331.460 2.306 10 30 EEEELP N#Cc1ccccc1OC[C@@H](O)C[NH2+]C[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC000600748792 468647311 /nfs/dbraw/zinc/64/73/11/468647311.db2.gz DRYOYZFTUXXDSN-OALUTQOASA-N 2 2 343.471 2.295 10 30 EEEELP N#Cc1ccccc1OC[C@@H](O)C[NH2+]C[C@@H]1CC[N@H+]1C1CCCCC1 ZINC000600748792 468647314 /nfs/dbraw/zinc/64/73/14/468647314.db2.gz DRYOYZFTUXXDSN-OALUTQOASA-N 2 2 343.471 2.295 10 30 EEEELP C=C(C)CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)Cc3cn4c([nH+]3)CCCC4)[C@@H]2C1 ZINC001485601088 1191856704 /nfs/dbraw/zinc/85/67/04/1191856704.db2.gz IGPDQPPJJFRZHJ-NNZMDNLPSA-N 2 2 342.487 2.022 10 30 EEEELP C=C(C)CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)Cc3cn4c([nH+]3)CCCC4)[C@@H]2C1 ZINC001485601088 1191856705 /nfs/dbraw/zinc/85/67/05/1191856705.db2.gz IGPDQPPJJFRZHJ-NNZMDNLPSA-N 2 2 342.487 2.022 10 30 EEEELP CC#CC[N@H+](CCCNC(=O)c1cc([C@H]2CCC[NH+]2C)n[nH]1)C(C)C ZINC001267500596 1179191372 /nfs/dbraw/zinc/19/13/72/1179191372.db2.gz AITGOVHKYNEJQG-GOSISDBHSA-N 2 2 345.491 2.030 10 30 EEEELP CC#CC[N@@H+](CCCNC(=O)c1cc([C@H]2CCC[NH+]2C)n[nH]1)C(C)C ZINC001267500596 1179191375 /nfs/dbraw/zinc/19/13/75/1179191375.db2.gz AITGOVHKYNEJQG-GOSISDBHSA-N 2 2 345.491 2.030 10 30 EEEELP CC#CC[NH+](CCCNC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1)C(C)C ZINC001267500596 1179191376 /nfs/dbraw/zinc/19/13/76/1179191376.db2.gz AITGOVHKYNEJQG-GOSISDBHSA-N 2 2 345.491 2.030 10 30 EEEELP CC#CC[NH+](CCCNC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1)C(C)C ZINC001267500596 1179191380 /nfs/dbraw/zinc/19/13/80/1179191380.db2.gz AITGOVHKYNEJQG-GOSISDBHSA-N 2 2 345.491 2.030 10 30 EEEELP CC#CC[NH2+]C[C@@H](NC(=O)[C@@H]1CCc2c[nH+]cn2C1)C1CCCCC1 ZINC001268117970 1181763237 /nfs/dbraw/zinc/76/32/37/1181763237.db2.gz HAZZMXJHXPIWJR-IEBWSBKVSA-N 2 2 342.487 2.124 10 30 EEEELP C[C@H](CC[NH2+]Cc1ccc(C#N)cc1)NC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001268405292 1182518721 /nfs/dbraw/zinc/51/87/21/1182518721.db2.gz LSRMSCSYCCNPLN-HUUCEWRRSA-N 2 2 339.443 2.145 10 30 EEEELP C[C@H](CC[NH2+]Cc1ccc(C#N)cc1)NC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001268405292 1182518728 /nfs/dbraw/zinc/51/87/28/1182518728.db2.gz LSRMSCSYCCNPLN-HUUCEWRRSA-N 2 2 339.443 2.145 10 30 EEEELP C#CCC[N@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)CCCn2cc[nH+]c2)C1 ZINC001670924339 1193527546 /nfs/dbraw/zinc/52/75/46/1193527546.db2.gz WRRYRKNJMNPWJS-MOPGFXCFSA-N 2 2 342.487 2.390 10 30 EEEELP C#CCC[N@@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)CCCn2cc[nH+]c2)C1 ZINC001670924339 1193527548 /nfs/dbraw/zinc/52/75/48/1193527548.db2.gz WRRYRKNJMNPWJS-MOPGFXCFSA-N 2 2 342.487 2.390 10 30 EEEELP C=CC[C@@H]([NH2+]CC1CC[NH+](Cc2nc(C)c(C)o2)CC1)C(=O)OC ZINC000905759609 1189912691 /nfs/dbraw/zinc/91/26/91/1189912691.db2.gz NHEJMVNSSGJWCP-MRXNPFEDSA-N 2 2 335.448 2.211 10 30 EEEELP CCCCCCC[NH2+]C[C@H]1CCCCN1C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001272944484 1193916459 /nfs/dbraw/zinc/91/64/59/1193916459.db2.gz HVHIJCAMSJOPFY-MSOLQXFVSA-N 2 2 339.524 2.258 10 30 EEEELP CCCCCCC[NH2+]C[C@H]1CCCCN1C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001272944484 1193916466 /nfs/dbraw/zinc/91/64/66/1193916466.db2.gz HVHIJCAMSJOPFY-MSOLQXFVSA-N 2 2 339.524 2.258 10 30 EEEELP C#CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@H](CC)[NH+](CC)CC ZINC001273825973 1286522261 /nfs/dbraw/zinc/52/22/61/1286522261.db2.gz WADJRJUYWGOFNO-UXHICEINSA-N 2 2 341.499 2.283 10 30 EEEELP C#CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@H](CC)[NH+](CC)CC ZINC001273825973 1286522268 /nfs/dbraw/zinc/52/22/68/1286522268.db2.gz WADJRJUYWGOFNO-UXHICEINSA-N 2 2 341.499 2.283 10 30 EEEELP C=CC[NH2+]C[C@@H](NC(=O)Cc1cn2cccc(C)c2[nH+]1)C(C)(C)C ZINC001279014886 1318997246 /nfs/dbraw/zinc/99/72/46/1318997246.db2.gz DMTRBESMGDRJRW-MRXNPFEDSA-N 2 2 328.460 2.492 10 30 EEEELP C=CCC[C@H](C)[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001264425603 1322698132 /nfs/dbraw/zinc/69/81/32/1322698132.db2.gz AFFHTCNULRFYME-NXOAAHMSSA-N 2 2 330.476 2.285 10 30 EEEELP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CC[C@H]1C(F)(F)F ZINC001264594587 1322745559 /nfs/dbraw/zinc/74/55/59/1322745559.db2.gz NAUVGYUYEHFETH-TZMCWYRMSA-N 2 2 344.381 2.145 10 30 EEEELP C=C(C)C[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC001283529665 1326115839 /nfs/dbraw/zinc/11/58/39/1326115839.db2.gz HRHHAHDVJBZHHT-OALUTQOASA-N 2 2 349.519 2.033 10 30 EEEELP C=C(C)C[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC001283529665 1326115840 /nfs/dbraw/zinc/11/58/40/1326115840.db2.gz HRHHAHDVJBZHHT-OALUTQOASA-N 2 2 349.519 2.033 10 30 EEEELP C[C@H](CC[NH2+]Cc1ccc(C#N)c(F)c1)NC(=O)CCc1c[nH]c[nH+]1 ZINC001320439645 1332884167 /nfs/dbraw/zinc/88/41/67/1332884167.db2.gz OYVDHLVWTFHFJC-CYBMUJFWSA-N 2 2 343.406 2.038 10 30 EEEELP C[C@H](CC[NH2+]Cc1ccc(C#N)c(F)c1)NC(=O)CCc1c[nH+]c[nH]1 ZINC001320439645 1332884175 /nfs/dbraw/zinc/88/41/75/1332884175.db2.gz OYVDHLVWTFHFJC-CYBMUJFWSA-N 2 2 343.406 2.038 10 30 EEEELP C#CC[NH2+]CCN(Cc1ccccc1)C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001325693387 1333941600 /nfs/dbraw/zinc/94/16/00/1333941600.db2.gz HVOPXENIRXWYOO-UHFFFAOYSA-N 2 2 338.455 2.178 10 30 EEEELP CC#CC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001661995516 1354738197 /nfs/dbraw/zinc/73/81/97/1354738197.db2.gz HCUUJLHRUNILOD-IRXDYDNUSA-N 2 2 330.476 2.167 10 30 EEEELP CC#CC[N@H+]1CCC[C@H]([C@H](C)NC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001661995516 1354738199 /nfs/dbraw/zinc/73/81/99/1354738199.db2.gz HCUUJLHRUNILOD-IRXDYDNUSA-N 2 2 330.476 2.167 10 30 EEEELP C=CCCC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001662845219 1354862385 /nfs/dbraw/zinc/86/23/85/1354862385.db2.gz MICDELPMZKZBKW-SJLPKXTDSA-N 2 2 330.476 2.335 10 30 EEEELP C=CCCC[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001662845219 1354862388 /nfs/dbraw/zinc/86/23/88/1354862388.db2.gz MICDELPMZKZBKW-SJLPKXTDSA-N 2 2 330.476 2.335 10 30 EEEELP C=CCC[NH2+]CC[C@@H]1CCCCN1C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001667268710 1355694270 /nfs/dbraw/zinc/69/42/70/1355694270.db2.gz ZQCGRQBKLPSVGG-IRXDYDNUSA-N 2 2 330.476 2.382 10 30 EEEELP C=CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001699886537 1405552439 /nfs/dbraw/zinc/55/24/39/1405552439.db2.gz GIKIUVQCGWDRCZ-AWEZNQCLSA-N 2 2 340.418 2.266 10 30 EEEELP C=CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001699886537 1405552446 /nfs/dbraw/zinc/55/24/46/1405552446.db2.gz GIKIUVQCGWDRCZ-AWEZNQCLSA-N 2 2 340.418 2.266 10 30 EEEELP C=CCC[N@@H+](CCO)[C@@H]1CCCN(C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001566034776 1125512703 /nfs/dbraw/zinc/51/27/03/1125512703.db2.gz XZIDUGVMEPCIDG-GOSISDBHSA-N 2 2 345.487 2.482 10 30 EEEELP C=CCC[N@H+](CCO)[C@@H]1CCCN(C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001566034776 1125512710 /nfs/dbraw/zinc/51/27/10/1125512710.db2.gz XZIDUGVMEPCIDG-GOSISDBHSA-N 2 2 345.487 2.482 10 30 EEEELP C[C@H](NC(=O)CCCn1cc[nH+]c1)[C@H](C)[NH2+]Cc1ccc(C#N)cc1 ZINC001440847800 1094106142 /nfs/dbraw/zinc/10/61/42/1094106142.db2.gz HKVZZUOSOIQUHV-HOTGVXAUSA-N 2 2 339.443 2.218 10 30 EEEELP CCC[N@H+](C)CC(=O)N[C@@H]1CCC[NH+](CC#Cc2ccc(F)cc2)C1 ZINC001479913643 1099314346 /nfs/dbraw/zinc/31/43/46/1099314346.db2.gz NKJPWEYIHGEHOD-LJQANCHMSA-N 2 2 345.462 2.100 10 30 EEEELP CCC[N@@H+](C)CC(=O)N[C@@H]1CCC[NH+](CC#Cc2ccc(F)cc2)C1 ZINC001479913643 1099314352 /nfs/dbraw/zinc/31/43/52/1099314352.db2.gz NKJPWEYIHGEHOD-LJQANCHMSA-N 2 2 345.462 2.100 10 30 EEEELP CCC[NH+](C)CC(=O)N[C@@H]1CCC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC001479913643 1099314364 /nfs/dbraw/zinc/31/43/64/1099314364.db2.gz NKJPWEYIHGEHOD-LJQANCHMSA-N 2 2 345.462 2.100 10 30 EEEELP CCC[NH+](C)CC(=O)N[C@@H]1CCC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC001479913643 1099314381 /nfs/dbraw/zinc/31/43/81/1099314381.db2.gz NKJPWEYIHGEHOD-LJQANCHMSA-N 2 2 345.462 2.100 10 30 EEEELP C#CC[NH+]1CC2(C1)CCN(C(=O)[C@H](CC(C)C)n1cc[nH+]c1)CC2 ZINC001495978966 1101882418 /nfs/dbraw/zinc/88/24/18/1101882418.db2.gz LRXIUPIADDAQNU-KRWDZBQOSA-N 2 2 328.460 2.028 10 30 EEEELP C[C@@H](CCC[NH2+]Cc1cc(F)ccc1C#N)NC(=O)Cc1c[nH]c[nH+]1 ZINC001506939833 1114989040 /nfs/dbraw/zinc/98/90/40/1114989040.db2.gz FMBLLKPZKZPAEH-ZDUSSCGKSA-N 2 2 343.406 2.038 10 30 EEEELP N#Cc1ccc(N2CC[C@H]([NH+]3CCC(c4c[nH]c[nH+]4)CC3)C2=O)cc1 ZINC000374206797 154003082 /nfs/dbraw/zinc/00/30/82/154003082.db2.gz GJKPRUMENZDIHR-SFHVURJKSA-N 2 2 335.411 2.266 10 30 EEEELP [O-]C(=[NH+][C@@H]1CCc2[nH]c[nH+]c2C1)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000329694794 465408324 /nfs/dbraw/zinc/40/83/24/465408324.db2.gz BDPWJZUJIQKHMW-CABCVRRESA-N 2 2 331.464 2.131 10 30 EEEELP [O-]C(=[NH+][C@@H]1CCc2[nH+]c[nH]c2C1)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000329694794 465408327 /nfs/dbraw/zinc/40/83/27/465408327.db2.gz BDPWJZUJIQKHMW-CABCVRRESA-N 2 2 331.464 2.131 10 30 EEEELP N#Cc1ccc2ncc(C[NH2+]Cc3cccnc3-n3cc[nH+]c3)n2c1 ZINC000123270444 463328818 /nfs/dbraw/zinc/32/88/18/463328818.db2.gz CWEZTSQKFFYJDS-UHFFFAOYSA-N 2 2 329.367 2.076 10 30 EEEELP CC1([NH+]2CCOCC2)CC[NH+](CCOc2ccc(C#N)cc2)CC1 ZINC000528731058 467742112 /nfs/dbraw/zinc/74/21/12/467742112.db2.gz PCLQDGUXVBPJJT-UHFFFAOYSA-N 2 2 329.444 2.124 10 30 EEEELP CN(C(=O)CC1(C#N)CC1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000590315043 468233315 /nfs/dbraw/zinc/23/33/15/468233315.db2.gz HMTYITXRHMOMDC-ZWKOTPCHSA-N 2 2 346.519 2.476 10 30 EEEELP CN(C(=O)CC1(C#N)CC1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000590315043 468233318 /nfs/dbraw/zinc/23/33/18/468233318.db2.gz HMTYITXRHMOMDC-ZWKOTPCHSA-N 2 2 346.519 2.476 10 30 EEEELP C[C@H](c1cccc(F)c1)[NH+]1CCN(C(=O)[C@H]([NH3+])CCCCC#N)CC1 ZINC000594435762 468585458 /nfs/dbraw/zinc/58/54/58/468585458.db2.gz KCPFQMFCMTWDCP-CRAIPNDOSA-N 2 2 346.450 2.442 10 30 EEEELP CN(C[C@H]1CC[N@@H+]1CC#Cc1ccc(Cl)cc1)C(=O)CC[NH+](C)C ZINC001691059593 1177480220 /nfs/dbraw/zinc/48/02/20/1177480220.db2.gz XKTJHBDLFOJXKC-GOSISDBHSA-N 2 2 347.890 2.176 10 30 EEEELP CN(C[C@H]1CC[N@H+]1CC#Cc1ccc(Cl)cc1)C(=O)CC[NH+](C)C ZINC001691059593 1177480224 /nfs/dbraw/zinc/48/02/24/1177480224.db2.gz XKTJHBDLFOJXKC-GOSISDBHSA-N 2 2 347.890 2.176 10 30 EEEELP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CCCCCF)[C@@H]1CC ZINC001691482560 1179035232 /nfs/dbraw/zinc/03/52/32/1179035232.db2.gz MGKKKDVNIXPNJS-KSZLIROESA-N 2 2 337.483 2.193 10 30 EEEELP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CCCCCF)[C@@H]1CC ZINC001691482560 1179035238 /nfs/dbraw/zinc/03/52/38/1179035238.db2.gz MGKKKDVNIXPNJS-KSZLIROESA-N 2 2 337.483 2.193 10 30 EEEELP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCCCCF)[C@@H]1CC ZINC001691482560 1179035240 /nfs/dbraw/zinc/03/52/40/1179035240.db2.gz MGKKKDVNIXPNJS-KSZLIROESA-N 2 2 337.483 2.193 10 30 EEEELP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCCCCF)[C@@H]1CC ZINC001691482560 1179035247 /nfs/dbraw/zinc/03/52/47/1179035247.db2.gz MGKKKDVNIXPNJS-KSZLIROESA-N 2 2 337.483 2.193 10 30 EEEELP C#CCC[N@H+]1CC[C@H](CCNC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001267552722 1179343405 /nfs/dbraw/zinc/34/34/05/1179343405.db2.gz RSJKWPLCXZLWRD-KRWDZBQOSA-N 2 2 336.439 2.337 10 30 EEEELP C#CCC[N@@H+]1CC[C@H](CCNC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001267552722 1179343413 /nfs/dbraw/zinc/34/34/13/1179343413.db2.gz RSJKWPLCXZLWRD-KRWDZBQOSA-N 2 2 336.439 2.337 10 30 EEEELP C=CCCC[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001267586162 1179551377 /nfs/dbraw/zinc/55/13/77/1179551377.db2.gz LIPUIHHUISRWRL-IAGOWNOFSA-N 2 2 330.476 2.192 10 30 EEEELP C=CCCC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001267586162 1179551383 /nfs/dbraw/zinc/55/13/83/1179551383.db2.gz LIPUIHHUISRWRL-IAGOWNOFSA-N 2 2 330.476 2.192 10 30 EEEELP C=CCCC[NH2+]C[C@@](C)(NC(=O)[C@@H]1CCc2[nH+]ccn2C1)C1CC1 ZINC001267855668 1180639657 /nfs/dbraw/zinc/63/96/57/1180639657.db2.gz FOORJGDLBWQWBT-DNVCBOLYSA-N 2 2 330.476 2.286 10 30 EEEELP C=CC[NH2+]CC[C@H]1CCCCN1C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001268154892 1181851340 /nfs/dbraw/zinc/85/13/40/1181851340.db2.gz DWQUWASXNWXWBC-QGZVFWFLSA-N 2 2 330.476 2.309 10 30 EEEELP C#CC[N@@H+]1CCC[C@H]1C(=O)N(CC)CC[NH2+]Cc1c(F)cccc1F ZINC001268458599 1182738102 /nfs/dbraw/zinc/73/81/02/1182738102.db2.gz DYIHSKGBTMZRDA-SFHVURJKSA-N 2 2 349.425 2.001 10 30 EEEELP C#CCN(C(=O)CCc1[nH+]ccn1C)C1CC[NH+](CC[C@H](C)F)CC1 ZINC001270331658 1185023991 /nfs/dbraw/zinc/02/39/91/1185023991.db2.gz LASXHXRGFWPSQI-INIZCTEOSA-N 2 2 348.466 2.027 10 30 EEEELP C#CCC[NH2+][C@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C[C@@H]1C ZINC001271416538 1186203313 /nfs/dbraw/zinc/20/33/13/1186203313.db2.gz LVPDDHWMPXBXAF-LPHOPBHVSA-N 2 2 336.439 2.336 10 30 EEEELP C=CC[N@H+](CC1CC1)C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001670989350 1193539394 /nfs/dbraw/zinc/53/93/94/1193539394.db2.gz QXWKIGFRVLDJAB-QZTJIDSGSA-N 2 2 342.487 2.413 10 30 EEEELP C=CC[N@@H+](CC1CC1)C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001670989350 1193539396 /nfs/dbraw/zinc/53/93/96/1193539396.db2.gz QXWKIGFRVLDJAB-QZTJIDSGSA-N 2 2 342.487 2.413 10 30 EEEELP C=CCCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CCc1[nH+]ccn1C ZINC001483810407 1191055275 /nfs/dbraw/zinc/05/52/75/1191055275.db2.gz VGSREKKSCPFMNT-SJORKVTESA-N 2 2 330.476 2.384 10 30 EEEELP C=CCCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CCc1[nH+]ccn1C ZINC001483810407 1191055278 /nfs/dbraw/zinc/05/52/78/1191055278.db2.gz VGSREKKSCPFMNT-SJORKVTESA-N 2 2 330.476 2.384 10 30 EEEELP C#CCN(C(=O)Cc1[nH]c[nH+]c1C)C1CC[NH+](CC2CC(C)C2)CC1 ZINC001483989377 1191144575 /nfs/dbraw/zinc/14/45/75/1191144575.db2.gz HPSYMHXAECWVFV-UHFFFAOYSA-N 2 2 342.487 2.233 10 30 EEEELP C[C@@H](CCNC(=O)Cc1c[nH]c[nH+]1)[NH2+]CC#Cc1cccc(Cl)c1 ZINC001484999498 1191607961 /nfs/dbraw/zinc/60/79/61/1191607961.db2.gz VUTHEOJRWUURCF-AWEZNQCLSA-N 2 2 344.846 2.142 10 30 EEEELP C=CCCC[NH+](C)[C@@H](C)CNC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1 ZINC001485308368 1191727449 /nfs/dbraw/zinc/72/74/49/1191727449.db2.gz VCHNTJZZUCHQNZ-YOEHRIQHSA-N 2 2 333.480 2.193 10 30 EEEELP C=CCCC[NH+](C)[C@@H](C)CNC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1 ZINC001485308368 1191727451 /nfs/dbraw/zinc/72/74/51/1191727451.db2.gz VCHNTJZZUCHQNZ-YOEHRIQHSA-N 2 2 333.480 2.193 10 30 EEEELP C=CCCC[N@@H+](C)[C@@H](C)CNC(=O)c1cc([C@@H]2CCC[NH+]2C)n[nH]1 ZINC001485308368 1191727453 /nfs/dbraw/zinc/72/74/53/1191727453.db2.gz VCHNTJZZUCHQNZ-YOEHRIQHSA-N 2 2 333.480 2.193 10 30 EEEELP C=CCCC[N@H+](C)[C@@H](C)CNC(=O)c1cc([C@@H]2CCC[NH+]2C)n[nH]1 ZINC001485308368 1191727454 /nfs/dbraw/zinc/72/74/54/1191727454.db2.gz VCHNTJZZUCHQNZ-YOEHRIQHSA-N 2 2 333.480 2.193 10 30 EEEELP C[C@@H](CC(=O)NC/C=C\C[NH2+]CC#Cc1ccccc1)n1cc[nH+]c1 ZINC001274404895 1205024856 /nfs/dbraw/zinc/02/48/56/1205024856.db2.gz QZYNLDRRLLMPCK-XFHJGTJQSA-N 2 2 336.439 2.148 10 30 EEEELP CC[C@H]([NH2+]CCCN1CC[NH+](CC)CC1)c1cccc(C#N)c1O ZINC000924654550 1206011857 /nfs/dbraw/zinc/01/18/57/1206011857.db2.gz JRMIFHZSKNIVIW-SFHVURJKSA-N 2 2 330.476 2.332 10 30 EEEELP C#CC[NH+]1CCC([NH2+]C[C@@H](O)COc2cccc3ccccc32)CC1 ZINC001120557793 1309609779 /nfs/dbraw/zinc/60/97/79/1309609779.db2.gz BHCJZNHFINZOTB-LJQANCHMSA-N 2 2 338.451 2.267 10 30 EEEELP C=C(C)Cn1c([C@@H]2CCC[NH+]2C)nnc1N1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC001263301866 1322455763 /nfs/dbraw/zinc/45/57/63/1322455763.db2.gz ZQEZVURPMAMWGH-ULQDDVLXSA-N 2 2 344.507 2.151 10 30 EEEELP C=C(C)Cn1c([C@@H]2CCC[NH+]2C)nnc1N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC001263301866 1322455766 /nfs/dbraw/zinc/45/57/66/1322455766.db2.gz ZQEZVURPMAMWGH-ULQDDVLXSA-N 2 2 344.507 2.151 10 30 EEEELP C=C(C)Cn1c([C@@H]2CCC[N@@H+]2C)nnc1N1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC001263301866 1322455768 /nfs/dbraw/zinc/45/57/68/1322455768.db2.gz ZQEZVURPMAMWGH-ULQDDVLXSA-N 2 2 344.507 2.151 10 30 EEEELP C=C(C)Cn1c([C@@H]2CCC[N@H+]2C)nnc1N1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC001263301866 1322455769 /nfs/dbraw/zinc/45/57/69/1322455769.db2.gz ZQEZVURPMAMWGH-ULQDDVLXSA-N 2 2 344.507 2.151 10 30 EEEELP C=CCC[C@@H](C)[N@@H+]1CCC[C@H](NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001266224585 1323797954 /nfs/dbraw/zinc/79/79/54/1323797954.db2.gz AXVAUGSSYAZWFS-CABCVRRESA-N 2 2 334.464 2.285 10 30 EEEELP C=CCC[C@@H](C)[N@H+]1CCC[C@H](NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001266224585 1323797957 /nfs/dbraw/zinc/79/79/57/1323797957.db2.gz AXVAUGSSYAZWFS-CABCVRRESA-N 2 2 334.464 2.285 10 30 EEEELP CC#CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)C(C)(C)n3c[nH+]c(C)c3)C[C@H]21 ZINC001284086983 1326400080 /nfs/dbraw/zinc/40/00/80/1326400080.db2.gz MSUXCNLQKNKKFU-RCCFBDPRSA-N 2 2 342.487 2.167 10 30 EEEELP C=CC[NH2+]C[C@H]1CN(C(=O)Cc2cn3cccc(C)c3[nH+]2)C[C@H]1C ZINC001325574453 1333914630 /nfs/dbraw/zinc/91/46/30/1333914630.db2.gz HAUBQPODXKGCNO-CVEARBPZSA-N 2 2 326.444 2.055 10 30 EEEELP C=CCCC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001567192766 1342709142 /nfs/dbraw/zinc/70/91/42/1342709142.db2.gz GPUOKPVZXCLWTA-IAGOWNOFSA-N 2 2 330.476 2.335 10 30 EEEELP C=CCCC[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001567192766 1342709147 /nfs/dbraw/zinc/70/91/47/1342709147.db2.gz GPUOKPVZXCLWTA-IAGOWNOFSA-N 2 2 330.476 2.335 10 30 EEEELP C=CCC[NH2+]C[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1C(F)(F)F ZINC001677048043 1357269569 /nfs/dbraw/zinc/26/95/69/1357269569.db2.gz LQHKGBUJYOLEBX-TZMCWYRMSA-N 2 2 344.381 2.145 10 30 EEEELP C=CCC[NH2+]C[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1C(F)(F)F ZINC001677048043 1357269571 /nfs/dbraw/zinc/26/95/71/1357269571.db2.gz LQHKGBUJYOLEBX-TZMCWYRMSA-N 2 2 344.381 2.145 10 30 EEEELP C=CCC[C@@H](C)[NH2+][C@H]1C[C@@H](NC(=O)c2cc([C@H]3CCC[N@@H+]3C)n[nH]2)C1 ZINC001661602188 1354663872 /nfs/dbraw/zinc/66/38/72/1354663872.db2.gz UWZMIZHBVRWOII-ZXFNITATSA-N 2 2 345.491 2.382 10 30 EEEELP C=CCC[C@@H](C)[NH2+][C@H]1C[C@@H](NC(=O)c2cc([C@H]3CCC[N@H+]3C)n[nH]2)C1 ZINC001661602188 1354663873 /nfs/dbraw/zinc/66/38/73/1354663873.db2.gz UWZMIZHBVRWOII-ZXFNITATSA-N 2 2 345.491 2.382 10 30 EEEELP C=C(Br)C[N@H+]1CC[C@H](N(C)C(=O)CCCC[NH+](C)C)C1 ZINC001665681910 1355357765 /nfs/dbraw/zinc/35/77/65/1355357765.db2.gz QKOAKQNAXYEJDD-AWEZNQCLSA-N 2 2 346.313 2.160 10 30 EEEELP C=C(Br)C[N@@H+]1CC[C@H](N(C)C(=O)CCCC[NH+](C)C)C1 ZINC001665681910 1355357769 /nfs/dbraw/zinc/35/77/69/1355357769.db2.gz QKOAKQNAXYEJDD-AWEZNQCLSA-N 2 2 346.313 2.160 10 30 EEEELP C=CC[NH2+]C[C@@H]1CN(C(=O)c2c(C)cc(C)[nH+]c2C)C[C@H]1OCC ZINC001691759743 1358087437 /nfs/dbraw/zinc/08/74/37/1358087437.db2.gz VOZVHEYKYPESRL-IAGOWNOFSA-N 2 2 331.460 2.260 10 30 EEEELP C=CCC[N@H+]1CC[C@H](N(CCC)C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001691864983 1404952214 /nfs/dbraw/zinc/95/22/14/1404952214.db2.gz YDXFBQDANHHYCV-GVDBMIGSSA-N 2 2 330.476 2.413 10 30 EEEELP C=CCC[N@@H+]1CC[C@H](N(CCC)C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001691864983 1404952221 /nfs/dbraw/zinc/95/22/21/1404952221.db2.gz YDXFBQDANHHYCV-GVDBMIGSSA-N 2 2 330.476 2.413 10 30 EEEELP C=CCc1ccc(OC[C@H](O)C[NH2+][C@@H]2CC[NH2+]C23CCC3)c(OC)c1 ZINC000923397137 789492699 /nfs/dbraw/zinc/49/26/99/789492699.db2.gz AGVFBGKRCSMECS-VQIMIIECSA-N 2 2 346.471 2.038 10 30 EEEELP C=C(Cl)C[N@H+]1C[C@@H]2CCCN(C(=O)[C@H](F)C[NH+](CC)CC)[C@@H]2C1 ZINC001447036581 1101804619 /nfs/dbraw/zinc/80/46/19/1101804619.db2.gz TYEIHMHGVQKNOQ-ARFHVFGLSA-N 2 2 345.890 2.342 10 30 EEEELP C=C(Cl)C[N@@H+]1C[C@@H]2CCCN(C(=O)[C@H](F)C[NH+](CC)CC)[C@@H]2C1 ZINC001447036581 1101804642 /nfs/dbraw/zinc/80/46/42/1101804642.db2.gz TYEIHMHGVQKNOQ-ARFHVFGLSA-N 2 2 345.890 2.342 10 30 EEEELP C[C@@H](C[NH2+]CC#Cc1ccccc1)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001498060136 1106861451 /nfs/dbraw/zinc/86/14/51/1106861451.db2.gz QOOUCIITJBAJSZ-HNNXBMFYSA-N 2 2 332.407 2.323 10 30 EEEELP CC#CC[N@H+](CC1CC1)C1CCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001499530594 1112347201 /nfs/dbraw/zinc/34/72/01/1112347201.db2.gz KFABQTLCCSEGEB-MRXNPFEDSA-N 2 2 342.487 2.315 10 30 EEEELP CC#CC[N@@H+](CC1CC1)C1CCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001499530594 1112347206 /nfs/dbraw/zinc/34/72/06/1112347206.db2.gz KFABQTLCCSEGEB-MRXNPFEDSA-N 2 2 342.487 2.315 10 30 EEEELP CC#CC[N@H+](CC1CC1)C1CCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001499530594 1112347210 /nfs/dbraw/zinc/34/72/10/1112347210.db2.gz KFABQTLCCSEGEB-MRXNPFEDSA-N 2 2 342.487 2.315 10 30 EEEELP CC#CC[N@@H+](CC1CC1)C1CCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001499530594 1112347213 /nfs/dbraw/zinc/34/72/13/1112347213.db2.gz KFABQTLCCSEGEB-MRXNPFEDSA-N 2 2 342.487 2.315 10 30 EEEELP C#CCN(C(=O)C[C@H](C)n1cc[nH+]c1CC)C1CC[NH+](CCF)CC1 ZINC001500037269 1112587749 /nfs/dbraw/zinc/58/77/49/1112587749.db2.gz DBBSYWAYZCJJHJ-INIZCTEOSA-N 2 2 348.466 2.292 10 30 EEEELP C=CCCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)CCn3cc[nH+]c3)C[C@H]2C1 ZINC001506855381 1114919313 /nfs/dbraw/zinc/91/93/13/1114919313.db2.gz NHQCANUXSUQUQN-OKZBNKHCSA-N 2 2 330.476 2.456 10 30 EEEELP C=CCCC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)CCn3cc[nH+]c3)C[C@H]2C1 ZINC001506855381 1114919315 /nfs/dbraw/zinc/91/93/15/1114919315.db2.gz NHQCANUXSUQUQN-OKZBNKHCSA-N 2 2 330.476 2.456 10 30 EEEELP C=CCC[C@H](C)[N@@H+]1CCO[C@@H](CNC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001568220672 1124363709 /nfs/dbraw/zinc/36/37/09/1124363709.db2.gz VSQOYPPZLILYGT-IRXDYDNUSA-N 2 2 348.491 2.098 10 30 EEEELP C=CCC[C@H](C)[N@H+]1CCO[C@@H](CNC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001568220672 1124363714 /nfs/dbraw/zinc/36/37/14/1124363714.db2.gz VSQOYPPZLILYGT-IRXDYDNUSA-N 2 2 348.491 2.098 10 30 EEEELP C=C(Br)C[NH2+]CC[C@@H](C)NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001568682323 1124695113 /nfs/dbraw/zinc/69/51/13/1124695113.db2.gz IZBPOVZVDNKAGJ-CHWSQXEVSA-N 2 2 343.269 2.227 10 30 EEEELP CC#CC[NH2+]C[C@H]1CCCC[C@H]1NC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001569166173 1125139825 /nfs/dbraw/zinc/13/98/25/1125139825.db2.gz SJQCLHIKNDITMO-IAGOWNOFSA-N 2 2 330.476 2.215 10 30 EEEELP CC#CC[NH2+][C@@H]1CC[C@H](CNC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001565904523 1125453313 /nfs/dbraw/zinc/45/33/13/1125453313.db2.gz GNCLGDYLIAUJQO-FUHWJXTLSA-N 2 2 336.439 2.384 10 30 EEEELP C=CCC[C@H](C[NH+]1CCOCC1)Oc1ccc(Cn2cc[nH+]c2)cn1 ZINC000072457240 216242876 /nfs/dbraw/zinc/24/28/76/216242876.db2.gz AIVOQDOPAPJROC-GOSISDBHSA-N 2 2 342.443 2.372 10 30 EEEELP C[NH+]1CCC([NH+]2CCC(Nc3cc(C#N)nc(C4CC4)n3)CC2)CC1 ZINC000601108372 449693314 /nfs/dbraw/zinc/69/33/14/449693314.db2.gz FNONHFPEWUTSLO-UHFFFAOYSA-N 2 2 340.475 2.196 10 30 EEEELP Cn1c[nH+]cc1[C@@H]1C[C@H](NC(=O)c2ccn3c[nH+]cc3c2)CCO1 ZINC000328642829 465086809 /nfs/dbraw/zinc/08/68/09/465086809.db2.gz YNKSJCRFXNUTOV-CJNGLKHVSA-N 2 2 325.372 2.293 10 30 EEEELP COc1ccc(C#N)cc1C[NH+]1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000160081750 463318078 /nfs/dbraw/zinc/31/80/78/463318078.db2.gz SILZEVDVTMDDOR-LJQANCHMSA-N 2 2 342.487 2.169 10 30 EEEELP COc1ccc(C#N)cc1C[NH+]1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000160081750 463318082 /nfs/dbraw/zinc/31/80/82/463318082.db2.gz SILZEVDVTMDDOR-LJQANCHMSA-N 2 2 342.487 2.169 10 30 EEEELP C[NH+]1CCN([C@@H]2CCCC[N@H+](Cc3ccc(C#N)cc3F)C2)CC1 ZINC000174902318 464466674 /nfs/dbraw/zinc/46/66/74/464466674.db2.gz WZLGFTBMRNXBBU-GOSISDBHSA-N 2 2 330.451 2.299 10 30 EEEELP C[NH+]1CCN([C@@H]2CCCC[N@@H+](Cc3ccc(C#N)cc3F)C2)CC1 ZINC000174902318 464466682 /nfs/dbraw/zinc/46/66/82/464466682.db2.gz WZLGFTBMRNXBBU-GOSISDBHSA-N 2 2 330.451 2.299 10 30 EEEELP C[C@@H]1C[NH+](CC#CC[N@H+]2C[C@@H](C)OCC23CCC3)C2(CCC2)CO1 ZINC000649821558 470708192 /nfs/dbraw/zinc/70/81/92/470708192.db2.gz KWQQTIJBEVKIAW-QZTJIDSGSA-N 2 2 332.488 2.277 10 30 EEEELP C[C@@H]1C[NH+](CC#CC[N@@H+]2C[C@@H](C)OCC23CCC3)C2(CCC2)CO1 ZINC000649821558 470708196 /nfs/dbraw/zinc/70/81/96/470708196.db2.gz KWQQTIJBEVKIAW-QZTJIDSGSA-N 2 2 332.488 2.277 10 30 EEEELP C=CCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCc3[nH+]ccn3C2)C(C)(C)C1 ZINC001485570983 1191840039 /nfs/dbraw/zinc/84/00/39/1191840039.db2.gz XSWFRKMOIUGVGY-HZPDHXFCSA-N 2 2 330.476 2.238 10 30 EEEELP C=CCCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCc3[nH+]ccn3C2)C(C)(C)C1 ZINC001485570983 1191840041 /nfs/dbraw/zinc/84/00/41/1191840041.db2.gz XSWFRKMOIUGVGY-HZPDHXFCSA-N 2 2 330.476 2.238 10 30 EEEELP C=CCCCCC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001266694911 1177216270 /nfs/dbraw/zinc/21/62/70/1177216270.db2.gz FGZLXKOQWKMNTN-ZACQAIPSSA-N 2 2 330.476 2.429 10 30 EEEELP C=C(C)CC[NH2+]C[C@@](C)(NC(=O)[C@H]1CCc2c[nH+]cn2C1)C1CC1 ZINC001481933740 1182985590 /nfs/dbraw/zinc/98/55/90/1182985590.db2.gz OTIIGVWTQBSHJG-HNAYVOBHSA-N 2 2 330.476 2.286 10 30 EEEELP C=CC[NH2+]C[C@H](CC(C)C)NC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1 ZINC001482386690 1185584711 /nfs/dbraw/zinc/58/47/11/1185584711.db2.gz VJNSCUHLWNPPBW-YOEHRIQHSA-N 2 2 333.480 2.097 10 30 EEEELP C=CC[NH2+]C[C@H](CC(C)C)NC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1 ZINC001482386690 1185584718 /nfs/dbraw/zinc/58/47/18/1185584718.db2.gz VJNSCUHLWNPPBW-YOEHRIQHSA-N 2 2 333.480 2.097 10 30 EEEELP C#CCC[NH2+]C[C@H](NC(=O)[C@H]1CCc2c[nH+]cn2C1)C1CCCCC1 ZINC001482405674 1185628826 /nfs/dbraw/zinc/62/88/26/1185628826.db2.gz HEOVAWGHRYQBIC-HKUYNNGSSA-N 2 2 342.487 2.124 10 30 EEEELP CC#CC[N@H+](C)CCC1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1 ZINC001271790714 1186488663 /nfs/dbraw/zinc/48/86/63/1186488663.db2.gz PXCOXXLMVNREPQ-UHFFFAOYSA-N 2 2 330.476 2.271 10 30 EEEELP CC#CC[N@@H+](C)CCC1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1 ZINC001271790714 1186488667 /nfs/dbraw/zinc/48/86/67/1186488667.db2.gz PXCOXXLMVNREPQ-UHFFFAOYSA-N 2 2 330.476 2.271 10 30 EEEELP C=CCOCC[NH2+][C@@H]1CCCCCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001691633159 1189325454 /nfs/dbraw/zinc/32/54/54/1189325454.db2.gz XLAOSPJQWZVRFO-MRXNPFEDSA-N 2 2 348.491 2.251 10 30 EEEELP CC[N@H+](C)CCC(=O)NC[C@H]1CC[NH+]1CC#Cc1ccc(Cl)cc1 ZINC001483688346 1190754960 /nfs/dbraw/zinc/75/49/60/1190754960.db2.gz GRNQIAXTHMRTEB-GOSISDBHSA-N 2 2 347.890 2.224 10 30 EEEELP CC[N@@H+](C)CCC(=O)NC[C@H]1CC[NH+]1CC#Cc1ccc(Cl)cc1 ZINC001483688346 1190754961 /nfs/dbraw/zinc/75/49/61/1190754961.db2.gz GRNQIAXTHMRTEB-GOSISDBHSA-N 2 2 347.890 2.224 10 30 EEEELP CC[NH+](C)CCC(=O)NC[C@H]1CC[N@@H+]1CC#Cc1ccc(Cl)cc1 ZINC001483688346 1190754962 /nfs/dbraw/zinc/75/49/62/1190754962.db2.gz GRNQIAXTHMRTEB-GOSISDBHSA-N 2 2 347.890 2.224 10 30 EEEELP CC[NH+](C)CCC(=O)NC[C@H]1CC[N@H+]1CC#Cc1ccc(Cl)cc1 ZINC001483688346 1190754965 /nfs/dbraw/zinc/75/49/65/1190754965.db2.gz GRNQIAXTHMRTEB-GOSISDBHSA-N 2 2 347.890 2.224 10 30 EEEELP C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCc4c[nH+]cn4C3)C[C@@H]2C1 ZINC001489194262 1290435996 /nfs/dbraw/zinc/43/59/96/1290435996.db2.gz WLNRYUDINFFLLV-KURKYZTESA-N 2 2 342.487 2.192 10 30 EEEELP C=CCCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCc4c[nH+]cn4C3)C[C@@H]2C1 ZINC001489194262 1290435998 /nfs/dbraw/zinc/43/59/98/1290435998.db2.gz WLNRYUDINFFLLV-KURKYZTESA-N 2 2 342.487 2.192 10 30 EEEELP C#CCN(C(=O)CCc1c[nH]c[nH+]1)C1CC[NH+](C[C@@H](C)CC)CC1 ZINC001278157589 1306133315 /nfs/dbraw/zinc/13/33/15/1306133315.db2.gz PDHPQEKRQVOFBX-INIZCTEOSA-N 2 2 330.476 2.315 10 30 EEEELP C#CCN(C(=O)CCc1c[nH+]c[nH]1)C1CC[NH+](C[C@@H](C)CC)CC1 ZINC001278157589 1306133317 /nfs/dbraw/zinc/13/33/17/1306133317.db2.gz PDHPQEKRQVOFBX-INIZCTEOSA-N 2 2 330.476 2.315 10 30 EEEELP C=CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001278748239 1317958869 /nfs/dbraw/zinc/95/88/69/1317958869.db2.gz YNMXPXVTDLGIDS-CQSZACIVSA-N 2 2 340.418 2.186 10 30 EEEELP C=CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001278748239 1317958872 /nfs/dbraw/zinc/95/88/72/1317958872.db2.gz YNMXPXVTDLGIDS-CQSZACIVSA-N 2 2 340.418 2.186 10 30 EEEELP C=CC[NH2+]C[C@H](NC(=O)Cc1cn2cccc(C)c2[nH+]1)C(C)(C)C ZINC001279014885 1318997020 /nfs/dbraw/zinc/99/70/20/1318997020.db2.gz DMTRBESMGDRJRW-INIZCTEOSA-N 2 2 328.460 2.492 10 30 EEEELP CC(C)[C@H](C(=O)N(C)C[C@H]1CC[N@@H+]1CC#Cc1ccccc1)[NH+](C)C ZINC001264378510 1322682721 /nfs/dbraw/zinc/68/27/21/1322682721.db2.gz LJXVHPAZABJUQZ-WOJBJXKFSA-N 2 2 341.499 2.157 10 30 EEEELP CC(C)[C@H](C(=O)N(C)C[C@H]1CC[N@H+]1CC#Cc1ccccc1)[NH+](C)C ZINC001264378510 1322682726 /nfs/dbraw/zinc/68/27/26/1322682726.db2.gz LJXVHPAZABJUQZ-WOJBJXKFSA-N 2 2 341.499 2.157 10 30 EEEELP C=C(C)CC[NH+]1CCC2(C[C@@H]2NC(=O)CCc2[nH+]ccn2C)CC1 ZINC001265329627 1323078048 /nfs/dbraw/zinc/07/80/48/1323078048.db2.gz JYSUXTSXZKYRRR-INIZCTEOSA-N 2 2 330.476 2.290 10 30 EEEELP C=CCC[C@H](C)[N@@H+]1CCC[C@H](NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001266224586 1323797627 /nfs/dbraw/zinc/79/76/27/1323797627.db2.gz AXVAUGSSYAZWFS-GJZGRUSLSA-N 2 2 334.464 2.285 10 30 EEEELP C=CCC[C@H](C)[N@H+]1CCC[C@H](NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001266224586 1323797632 /nfs/dbraw/zinc/79/76/32/1323797632.db2.gz AXVAUGSSYAZWFS-GJZGRUSLSA-N 2 2 334.464 2.285 10 30 EEEELP C#CC[NH2+]C1(CNC(=O)[C@H]2C[C@H]2C)CC[NH+](Cc2ccccc2)CC1 ZINC001279170409 1323844736 /nfs/dbraw/zinc/84/47/36/1323844736.db2.gz CTXQSMSLGPAKEC-MJGOQNOKSA-N 2 2 339.483 2.016 10 30 EEEELP C#CCC[N@H+]1C[C@H](NC(=O)[C@H](CC(C)C)n2cc[nH+]c2)C(C)(C)C1 ZINC001282811545 1325794194 /nfs/dbraw/zinc/79/41/94/1325794194.db2.gz PICFGUTUFDOGNE-IRXDYDNUSA-N 2 2 330.476 2.320 10 30 EEEELP C#CCC[N@@H+]1C[C@H](NC(=O)[C@H](CC(C)C)n2cc[nH+]c2)C(C)(C)C1 ZINC001282811545 1325794197 /nfs/dbraw/zinc/79/41/97/1325794197.db2.gz PICFGUTUFDOGNE-IRXDYDNUSA-N 2 2 330.476 2.320 10 30 EEEELP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H](C)[NH2+]CC#Cc1cccc(Cl)c1 ZINC001317282262 1332163903 /nfs/dbraw/zinc/16/39/03/1332163903.db2.gz BAPIKRQQRPDHTM-CYBMUJFWSA-N 2 2 344.846 2.060 10 30 EEEELP C=C[C@H](COC)[NH2+]Cc1ccc(C[NH+](C)C)c2c1OC(F)(F)O2 ZINC001656126122 1354206165 /nfs/dbraw/zinc/20/61/65/1354206165.db2.gz AGWCNTCBPAUMNA-CYBMUJFWSA-N 2 2 328.359 2.360 10 30 EEEELP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](C)Cc1ccc(C)cc1Cl ZINC001663201506 1354934962 /nfs/dbraw/zinc/93/49/62/1354934962.db2.gz WHYCSBTVULQASH-SFHVURJKSA-N 2 2 347.890 2.294 10 30 EEEELP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@H+](C)Cc1ccc(C)cc1Cl ZINC001663201506 1354934965 /nfs/dbraw/zinc/93/49/65/1354934965.db2.gz WHYCSBTVULQASH-SFHVURJKSA-N 2 2 347.890 2.294 10 30 EEEELP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH+](C)Cc1ccc(C)cc1Cl ZINC001663201506 1354934967 /nfs/dbraw/zinc/93/49/67/1354934967.db2.gz WHYCSBTVULQASH-SFHVURJKSA-N 2 2 347.890 2.294 10 30 EEEELP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](C)Cc1ccc(C)cc1Cl ZINC001663201506 1354934970 /nfs/dbraw/zinc/93/49/70/1354934970.db2.gz WHYCSBTVULQASH-SFHVURJKSA-N 2 2 347.890 2.294 10 30 EEEELP C=CCC[C@@H](C)[N@@H+]1CC[C@H](CNC(=O)Cc2c[nH+]ccc2OC)C1 ZINC001663598764 1354996735 /nfs/dbraw/zinc/99/67/35/1354996735.db2.gz NZWUBQVSTDNYEE-HZPDHXFCSA-N 2 2 331.460 2.426 10 30 EEEELP C=CCC[C@@H](C)[N@H+]1CC[C@H](CNC(=O)Cc2c[nH+]ccc2OC)C1 ZINC001663598764 1354996736 /nfs/dbraw/zinc/99/67/36/1354996736.db2.gz NZWUBQVSTDNYEE-HZPDHXFCSA-N 2 2 331.460 2.426 10 30 EEEELP C=C(C)C[NH2+]CC[C@H]1CCCCN1C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001667268165 1355693653 /nfs/dbraw/zinc/69/36/53/1355693653.db2.gz SZRCTVPTIVSHOD-IAGOWNOFSA-N 2 2 330.476 2.382 10 30 EEEELP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)C(C)(C)C1 ZINC000940847330 779409742 /nfs/dbraw/zinc/40/97/42/779409742.db2.gz VLAVDNJGAVFMGU-NVXWUHKLSA-N 2 2 330.476 2.238 10 30 EEEELP C=C(C)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)C(C)(C)C1 ZINC000940847330 779409744 /nfs/dbraw/zinc/40/97/44/779409744.db2.gz VLAVDNJGAVFMGU-NVXWUHKLSA-N 2 2 330.476 2.238 10 30 EEEELP C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)C(C)(C)C1 ZINC000940851339 779433039 /nfs/dbraw/zinc/43/30/39/779433039.db2.gz VSXCZJSFSGXJBX-CVEARBPZSA-N 2 2 330.476 2.238 10 30 EEEELP C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)C(C)(C)C1 ZINC000940851339 779433042 /nfs/dbraw/zinc/43/30/42/779433042.db2.gz VSXCZJSFSGXJBX-CVEARBPZSA-N 2 2 330.476 2.238 10 30 EEEELP C#CCC1([NH2+]Cc2ccc(OCC[NH+]3CCOCC3)cc2)CCC1 ZINC000922998580 788529272 /nfs/dbraw/zinc/52/92/72/788529272.db2.gz JXXPOWARXAQFJR-UHFFFAOYSA-N 2 2 328.456 2.433 10 30 EEEELP C[C@H](C[N@H+](C)Cc1cc(F)ccc1C#N)NC(=O)C[NH+](C)C1CCC1 ZINC001445747829 1091581457 /nfs/dbraw/zinc/58/14/57/1091581457.db2.gz ODPYBSRXUSSDQT-CQSZACIVSA-N 2 2 346.450 2.118 10 30 EEEELP C[C@H](C[N@@H+](C)Cc1cc(F)ccc1C#N)NC(=O)C[NH+](C)C1CCC1 ZINC001445747829 1091581462 /nfs/dbraw/zinc/58/14/62/1091581462.db2.gz ODPYBSRXUSSDQT-CQSZACIVSA-N 2 2 346.450 2.118 10 30 EEEELP C[C@H](C[NH+](C)Cc1cc(F)ccc1C#N)NC(=O)C[N@H+](C)C1CCC1 ZINC001445747829 1091581467 /nfs/dbraw/zinc/58/14/67/1091581467.db2.gz ODPYBSRXUSSDQT-CQSZACIVSA-N 2 2 346.450 2.118 10 30 EEEELP C[C@H](C[NH+](C)Cc1cc(F)ccc1C#N)NC(=O)C[N@@H+](C)C1CCC1 ZINC001445747829 1091581472 /nfs/dbraw/zinc/58/14/72/1091581472.db2.gz ODPYBSRXUSSDQT-CQSZACIVSA-N 2 2 346.450 2.118 10 30 EEEELP C[C@H](C[N@H+](C)Cc1cccc(C#N)c1)NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001445814382 1091691530 /nfs/dbraw/zinc/69/15/30/1091691530.db2.gz MEBOBTVLHRDYIS-HZPDHXFCSA-N 2 2 339.443 2.343 10 30 EEEELP C[C@H](C[N@@H+](C)Cc1cccc(C#N)c1)NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001445814382 1091691536 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328.460 2.069 10 30 EEEELP C#CCC[N@@H+](CC1CC1)C1CCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001670985210 1193538816 /nfs/dbraw/zinc/53/88/16/1193538816.db2.gz PFXOVAMSOHWCCR-UHFFFAOYSA-N 2 2 328.460 2.069 10 30 EEEELP C[C@H](CN(C)C(=O)C[C@H](C)n1cc[nH+]c1)[NH2+]CC#Cc1ccccc1 ZINC001485928486 1193639389 /nfs/dbraw/zinc/63/93/89/1193639389.db2.gz JCHSAALIULEOJV-MSOLQXFVSA-N 2 2 338.455 2.322 10 30 EEEELP C#CCC[N@H+]1CCC[C@](C)(CNC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001484163210 1191251277 /nfs/dbraw/zinc/25/12/77/1191251277.db2.gz HZAPVASVXKWBGJ-LJQANCHMSA-N 2 2 330.476 2.168 10 30 EEEELP C#CCC[N@@H+]1CCC[C@](C)(CNC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001484163210 1191251280 /nfs/dbraw/zinc/25/12/80/1191251280.db2.gz HZAPVASVXKWBGJ-LJQANCHMSA-N 2 2 330.476 2.168 10 30 EEEELP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@@H](C)c2cccc(C#N)c2O)CC1 ZINC000866261137 1201479316 /nfs/dbraw/zinc/47/93/16/1201479316.db2.gz ZVYZKRIABWTCLJ-HOTGVXAUSA-N 2 2 330.476 2.188 10 30 EEEELP C#CC[N@@H+](CCc1c[nH+]cn1C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000886426164 1202507160 /nfs/dbraw/zinc/50/71/60/1202507160.db2.gz LEIKSDCEALFLTL-UHFFFAOYSA-N 2 2 346.475 2.297 10 30 EEEELP C#CC[N@H+](CCc1c[nH+]cn1C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000886426164 1202507161 /nfs/dbraw/zinc/50/71/61/1202507161.db2.gz LEIKSDCEALFLTL-UHFFFAOYSA-N 2 2 346.475 2.297 10 30 EEEELP C=CCCC[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)Cc2c[nH+]cn2C)C1 ZINC001490983038 1258537471 /nfs/dbraw/zinc/53/74/71/1258537471.db2.gz NNZCXASYUSSUCW-AEFFLSMTSA-N 2 2 330.476 2.242 10 30 EEEELP C=CCCC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)Cc2c[nH+]cn2C)C1 ZINC001490983038 1258537475 /nfs/dbraw/zinc/53/74/75/1258537475.db2.gz NNZCXASYUSSUCW-AEFFLSMTSA-N 2 2 330.476 2.242 10 30 EEEELP C=C(Cl)C[NH2+]C[C@@H]1CCCN(C(=O)Cc2c[nH+]ccc2OC)C1 ZINC001491159276 1258734591 /nfs/dbraw/zinc/73/45/91/1258734591.db2.gz ABHIWAXRDJQNAC-AWEZNQCLSA-N 2 2 337.851 2.213 10 30 EEEELP C=C(C)CC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC001488847816 1290245886 /nfs/dbraw/zinc/24/58/86/1290245886.db2.gz BBTAVDPNQMOCKI-LNLFQRSKSA-N 2 2 349.519 2.080 10 30 EEEELP C=C(C)CC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2COCC[N@H+]2C2CCCC2)C1 ZINC001488847816 1290245894 /nfs/dbraw/zinc/24/58/94/1290245894.db2.gz BBTAVDPNQMOCKI-LNLFQRSKSA-N 2 2 349.519 2.080 10 30 EEEELP C[NH+](C)c1ccc(N2CCC([NH2+]C[C@H](O)CC3(C#N)CC3)CC2)cc1 ZINC000863552558 1296330787 /nfs/dbraw/zinc/33/07/87/1296330787.db2.gz MQMHHWUIAHWJLJ-LJQANCHMSA-N 2 2 342.487 2.366 10 30 EEEELP C=CCC[C@@H](NC(=O)NCC[NH+]1CCC([NH3+])CC1)c1ccccc1 ZINC001262579776 1322328490 /nfs/dbraw/zinc/32/84/90/1322328490.db2.gz ZJBLNMYIAYWEOQ-GOSISDBHSA-N 2 2 330.476 2.416 10 30 EEEELP C=C(C)C[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)CCn3cc[nH+]c3)C(C)(C)[C@@H]21 ZINC001264029837 1322590420 /nfs/dbraw/zinc/59/04/20/1322590420.db2.gz JXVLTQPJBSOBID-KBAYOESNSA-N 2 2 330.476 2.455 10 30 EEEELP C=C(C)C[N@H+]1CCC[C@@H]2[C@@H](NC(=O)CCn3cc[nH+]c3)C(C)(C)[C@@H]21 ZINC001264029837 1322590426 /nfs/dbraw/zinc/59/04/26/1322590426.db2.gz JXVLTQPJBSOBID-KBAYOESNSA-N 2 2 330.476 2.455 10 30 EEEELP C=CCC[NH2+]C1(CC)CCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC001281020613 1324723031 /nfs/dbraw/zinc/72/30/31/1324723031.db2.gz BIZNCNZENXOQRK-MRXNPFEDSA-N 2 2 330.476 2.382 10 30 EEEELP C#CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)CC[NH+]1CCCCC1 ZINC001281071142 1324751936 /nfs/dbraw/zinc/75/19/36/1324751936.db2.gz JTMOAPODEONFIV-HXUWFJFHSA-N 2 2 339.483 2.039 10 30 EEEELP C#CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)CC[NH+]1CCCCC1 ZINC001281071142 1324751939 /nfs/dbraw/zinc/75/19/39/1324751939.db2.gz JTMOAPODEONFIV-HXUWFJFHSA-N 2 2 339.483 2.039 10 30 EEEELP C#CCC[N@@H+](C)[C@@H]1CCCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001317376046 1332203248 /nfs/dbraw/zinc/20/32/48/1332203248.db2.gz CJCQWNHYBAOISK-LJQANCHMSA-N 2 2 336.439 2.432 10 30 EEEELP C#CCC[N@H+](C)[C@@H]1CCCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001317376046 1332203249 /nfs/dbraw/zinc/20/32/49/1332203249.db2.gz CJCQWNHYBAOISK-LJQANCHMSA-N 2 2 336.439 2.432 10 30 EEEELP C=CCCC[NH+]1CC2(C1)CCN(C(=O)[C@H](C)Cc1c[nH]c[nH+]1)CC2 ZINC001319408407 1332697387 /nfs/dbraw/zinc/69/73/87/1332697387.db2.gz VSGHMUOGCYBTBT-MRXNPFEDSA-N 2 2 330.476 2.479 10 30 EEEELP C=CCCC[NH+]1CC2(C1)CCN(C(=O)[C@H](C)Cc1c[nH+]c[nH]1)CC2 ZINC001319408407 1332697388 /nfs/dbraw/zinc/69/73/88/1332697388.db2.gz VSGHMUOGCYBTBT-MRXNPFEDSA-N 2 2 330.476 2.479 10 30 EEEELP C=CCOCC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001320149771 1332838421 /nfs/dbraw/zinc/83/84/21/1332838421.db2.gz YLIAXHONGDZFRV-ZBFHGGJFSA-N 2 2 342.443 2.254 10 30 EEEELP C=C(Br)C[NH2+]C/C=C\CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001321272132 1333060499 /nfs/dbraw/zinc/06/04/99/1333060499.db2.gz RSWHLORBIMCBFF-SCOBNMCVSA-N 2 2 341.253 2.005 10 30 EEEELP C#CCC[NH+]1CCC(N(CC#C)C(=O)c2ccn3c(C)c[nH+]c3c2)CC1 ZINC001324396382 1333674028 /nfs/dbraw/zinc/67/40/28/1333674028.db2.gz GHECAGWYKOBBMU-UHFFFAOYSA-N 2 2 348.450 2.206 10 30 EEEELP C=CCC[C@H](C)[NH2+]CC1(O)CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001328195893 1334412887 /nfs/dbraw/zinc/41/28/87/1334412887.db2.gz BKEKICSJHLPHKE-DLBZAZTESA-N 2 2 348.491 2.132 10 30 EEEELP C#CC[N@H+](C)CCCNC(=O)[C@H]1CC[C@@H](Nc2cccc[nH+]2)CC1 ZINC001625359384 1352447106 /nfs/dbraw/zinc/44/71/06/1352447106.db2.gz FTDBOQWTSQOUIJ-CALCHBBNSA-N 2 2 328.460 2.124 10 30 EEEELP C#CC[N@@H+](C)CCCNC(=O)[C@H]1CC[C@@H](Nc2cccc[nH+]2)CC1 ZINC001625359384 1352447108 /nfs/dbraw/zinc/44/71/08/1352447108.db2.gz FTDBOQWTSQOUIJ-CALCHBBNSA-N 2 2 328.460 2.124 10 30 EEEELP C=CCCC[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001662845217 1354862322 /nfs/dbraw/zinc/86/23/22/1354862322.db2.gz MICDELPMZKZBKW-AEFFLSMTSA-N 2 2 330.476 2.335 10 30 EEEELP C=CCCC[N@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001662845217 1354862323 /nfs/dbraw/zinc/86/23/23/1354862323.db2.gz MICDELPMZKZBKW-AEFFLSMTSA-N 2 2 330.476 2.335 10 30 EEEELP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)Cc2cn3c([nH+]2)CCCC3)C[C@@H]1C ZINC001672280752 1356493466 /nfs/dbraw/zinc/49/34/66/1356493466.db2.gz YAIIYYLQHXTYFA-JKSUJKDBSA-N 2 2 330.476 2.022 10 30 EEEELP C[C@@H]([NH2+]CC#Cc1ccc(Cl)cc1)[C@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001674747720 1356888632 /nfs/dbraw/zinc/88/86/32/1356888632.db2.gz KOKMUZZPCLKYNZ-KGLIPLIRSA-N 2 2 344.846 2.140 10 30 EEEELP C=C(Cl)C[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001437988449 1090581574 /nfs/dbraw/zinc/58/15/74/1090581574.db2.gz POBXYPNMYZTSJD-RRFJBIMHSA-N 2 2 336.867 2.056 10 30 EEEELP C=C(Cl)C[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001437988449 1090581578 /nfs/dbraw/zinc/58/15/78/1090581578.db2.gz POBXYPNMYZTSJD-RRFJBIMHSA-N 2 2 336.867 2.056 10 30 EEEELP Cc1c[nH+]c2cc(C(=O)NC[C@@H](C)[NH2+]CC#Cc3ccccc3)ccn12 ZINC001480461388 1100264815 /nfs/dbraw/zinc/26/48/15/1100264815.db2.gz JHQFJXHTFPSTGM-MRXNPFEDSA-N 2 2 346.434 2.402 10 30 EEEELP C=CCCC[N@@H+]1CC[C@@H](CCNC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001494031166 1103390927 /nfs/dbraw/zinc/39/09/27/1103390927.db2.gz QNLSDMIXIMFLJO-IAGOWNOFSA-N 2 2 330.476 2.240 10 30 EEEELP C=CCCC[N@H+]1CC[C@@H](CCNC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001494031166 1103390931 /nfs/dbraw/zinc/39/09/31/1103390931.db2.gz QNLSDMIXIMFLJO-IAGOWNOFSA-N 2 2 330.476 2.240 10 30 EEEELP C=CCOCC[NH2+][C@@H]1CC[C@H](CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001479460984 1110697920 /nfs/dbraw/zinc/69/79/20/1110697920.db2.gz QUJJDNUKQJNJLR-GOEBONIOSA-N 2 2 342.443 2.254 10 30 EEEELP C=CC[NH2+]C[C@H](NC(=O)Cc1cn2c([nH+]1)CCCC2)C1CCCC1 ZINC001500087532 1112611182 /nfs/dbraw/zinc/61/11/82/1112611182.db2.gz BNBYWXQHBVJGGS-KRWDZBQOSA-N 2 2 330.476 2.213 10 30 EEEELP CC#CC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001507012354 1115053757 /nfs/dbraw/zinc/05/37/57/1115053757.db2.gz SHRQFQBRLODIKE-ZWKOTPCHSA-N 2 2 330.476 2.320 10 30 EEEELP C=C(Cl)C[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001507016497 1115056165 /nfs/dbraw/zinc/05/61/65/1115056165.db2.gz YXTBLSSATFPROR-HOCLYGCPSA-N 2 2 336.867 2.025 10 30 EEEELP C=CCC[NH2+]C[C@](C)(NC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1)C1CC1 ZINC001568022089 1124234478 /nfs/dbraw/zinc/23/44/78/1124234478.db2.gz QMWBEXJTAJUQQO-HKUYNNGSSA-N 2 2 345.491 2.241 10 30 EEEELP C=CCC[NH2+]C[C@](C)(NC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1)C1CC1 ZINC001568022089 1124234484 /nfs/dbraw/zinc/23/44/84/1124234484.db2.gz QMWBEXJTAJUQQO-HKUYNNGSSA-N 2 2 345.491 2.241 10 30 EEEELP CC#CC[NH2+]C[C@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C1CCCCC1 ZINC001568347319 1124430273 /nfs/dbraw/zinc/43/02/73/1124430273.db2.gz ZLTREXJONQSGGC-KURKYZTESA-N 2 2 342.487 2.202 10 30 EEEELP C=C(C)C[NH2+]CC[C@H]1CCCCN1C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001568387601 1124458496 /nfs/dbraw/zinc/45/84/96/1124458496.db2.gz ZRKQCKMLVDUYRM-DLBZAZTESA-N 2 2 330.476 2.382 10 30 EEEELP COc1ccc(C[NH2+][C@@H]2CCO[C@H](c3c[nH+]cn3C)C2)cc1C#N ZINC000275662344 257992612 /nfs/dbraw/zinc/99/26/12/257992612.db2.gz VCZMXUSLXVAMHR-QAPCUYQASA-N 2 2 326.400 2.310 10 30 EEEELP O=C(C[N@H+]1CCc2ccc(O)cc2C1)NC1CC[NH+](C2CC2)CC1 ZINC000329699744 465409498 /nfs/dbraw/zinc/40/94/98/465409498.db2.gz ZGWXFNDTZKDYCN-UHFFFAOYSA-N 2 2 329.444 2.334 10 30 EEEELP O=C(C[N@@H+]1CCc2ccc(O)cc2C1)NC1CC[NH+](C2CC2)CC1 ZINC000329699744 465409506 /nfs/dbraw/zinc/40/95/06/465409506.db2.gz ZGWXFNDTZKDYCN-UHFFFAOYSA-N 2 2 329.444 2.334 10 30 EEEELP C[N@H+](Cc1ccc(F)c(C#N)c1)C1CC[NH+](CCn2cccn2)CC1 ZINC000120056110 462957459 /nfs/dbraw/zinc/95/74/59/462957459.db2.gz CBTNRULLKMRBAZ-UHFFFAOYSA-N 2 2 341.434 2.490 10 30 EEEELP C[N@@H+](Cc1ccc(F)c(C#N)c1)C1CC[NH+](CCn2cccn2)CC1 ZINC000120056110 462957463 /nfs/dbraw/zinc/95/74/63/462957463.db2.gz CBTNRULLKMRBAZ-UHFFFAOYSA-N 2 2 341.434 2.490 10 30 EEEELP N#Cc1cccc(NC(=O)C[NH+]2CCC(C[NH+]3CCCC3)CC2)c1 ZINC000171139461 463796302 /nfs/dbraw/zinc/79/63/02/463796302.db2.gz ANPATBRGPPAHHP-UHFFFAOYSA-N 2 2 326.444 2.305 10 30 EEEELP N#CCCCOc1cccc(C[NH2+]C[C@@H](O)C[NH+]2CCCCC2)c1 ZINC000171246507 463824705 /nfs/dbraw/zinc/82/47/05/463824705.db2.gz CTELIRAKSRACSM-GOSISDBHSA-N 2 2 331.460 2.306 10 30 EEEELP Cc1cccc(NC(=O)CO[NH+]=C(N)c2ccc(C[NH+](C)C)cc2)c1 ZINC000267005092 464901308 /nfs/dbraw/zinc/90/13/08/464901308.db2.gz JEOPPWKKJMPQAD-UHFFFAOYSA-N 2 2 340.427 2.332 10 30 EEEELP N#CC1(C[C@H](O)C[NH2+]C2CC[NH+](Cc3ccc(F)cc3)CC2)CC1 ZINC000600718284 468632806 /nfs/dbraw/zinc/63/28/06/468632806.db2.gz WQBBNVCMZJVVID-SFHVURJKSA-N 2 2 331.435 2.434 10 30 EEEELP CCCC[NH+]1CCC([NH2+]CCS(=O)(=O)c2cccc(C#N)c2)CC1 ZINC000584586065 468903929 /nfs/dbraw/zinc/90/39/29/468903929.db2.gz JMJTYEVGTARWGB-UHFFFAOYSA-N 2 2 349.500 2.186 10 30 EEEELP CCO[C@@H]1C[N@H+](Cc2ccc(C#N)cc2C(F)(F)F)C[C@H]1C[NH3+] ZINC000595896878 469068549 /nfs/dbraw/zinc/06/85/49/469068549.db2.gz YYFKIMUDSIDTTO-UKRRQHHQSA-N 2 2 327.350 2.373 10 30 EEEELP CCO[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2C(F)(F)F)C[C@H]1C[NH3+] ZINC000595896878 469068555 /nfs/dbraw/zinc/06/85/55/469068555.db2.gz YYFKIMUDSIDTTO-UKRRQHHQSA-N 2 2 327.350 2.373 10 30 EEEELP COC(=O)CCC[NH+]1CCC([NH2+]Cc2ccc(C#N)cc2F)CC1 ZINC000611409717 469243465 /nfs/dbraw/zinc/24/34/65/469243465.db2.gz ROOHDSABARFPPY-UHFFFAOYSA-N 2 2 333.407 2.205 10 30 EEEELP C=CC[C@]1(C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)CCC[NH2+]1 ZINC000662672609 472199100 /nfs/dbraw/zinc/19/91/00/472199100.db2.gz CPOOQSLKADLMKR-LJQANCHMSA-N 2 2 328.460 2.386 10 30 EEEELP C=CCOc1ccc(C[NH+]2CCC([N@@H+]3CC[C@@H](O)C3)CC2)cc1OC ZINC000668740343 472247459 /nfs/dbraw/zinc/24/74/59/472247459.db2.gz IIMLBBRLQMKPDO-GOSISDBHSA-N 2 2 346.471 2.291 10 30 EEEELP C=CCOc1ccc(C[NH+]2CCC([N@H+]3CC[C@@H](O)C3)CC2)cc1OC ZINC000668740343 472247462 /nfs/dbraw/zinc/24/74/62/472247462.db2.gz IIMLBBRLQMKPDO-GOSISDBHSA-N 2 2 346.471 2.291 10 30 EEEELP O=C1[C@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)CCCN1O ZINC000895158067 684146278 /nfs/dbraw/zinc/14/62/78/684146278.db2.gz HVBNBDKSDRYHLX-DLBZAZTESA-N 2 2 329.444 2.153 10 30 EEEELP O=C1[C@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)CCCN1O ZINC000895158067 684146280 /nfs/dbraw/zinc/14/62/80/684146280.db2.gz HVBNBDKSDRYHLX-DLBZAZTESA-N 2 2 329.444 2.153 10 30 EEEELP C=C(Cl)C[NH2+]CC[C@H]1[C@H](C)CCCN1C(=O)Cc1c[nH+]cn1C ZINC001691309740 1177886298 /nfs/dbraw/zinc/88/62/98/1177886298.db2.gz VRBZVMMLWLFLSG-CJNGLKHVSA-N 2 2 338.883 2.322 10 30 EEEELP C=C(C)CC[NH2+]C[C@H]1CCN(C(=O)[C@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC001267054531 1178160757 /nfs/dbraw/zinc/16/07/57/1178160757.db2.gz DPULWVJRACJJFF-IEBWSBKVSA-N 2 2 349.519 2.034 10 30 EEEELP C=C(C)CC[NH2+]C[C@H]1CCN(C(=O)[C@H]2COCC[N@H+]2C2CCCC2)C1 ZINC001267054531 1178160761 /nfs/dbraw/zinc/16/07/61/1178160761.db2.gz DPULWVJRACJJFF-IEBWSBKVSA-N 2 2 349.519 2.034 10 30 EEEELP C=C(C)CC[N@@H+](C)CC1CCN(C(=O)CCc2[nH+]ccn2C)CC1 ZINC001481517262 1181625960 /nfs/dbraw/zinc/62/59/60/1181625960.db2.gz XSESHGUFXBFHHD-UHFFFAOYSA-N 2 2 332.492 2.489 10 30 EEEELP C=C(C)CC[N@H+](C)CC1CCN(C(=O)CCc2[nH+]ccn2C)CC1 ZINC001481517262 1181625963 /nfs/dbraw/zinc/62/59/63/1181625963.db2.gz XSESHGUFXBFHHD-UHFFFAOYSA-N 2 2 332.492 2.489 10 30 EEEELP C=C(C)CC[NH2+]C[C@H](NC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1)C1CC1 ZINC001269071254 1183939296 /nfs/dbraw/zinc/93/92/96/1183939296.db2.gz FPNIINCVTSETFJ-ROUUACIJSA-N 2 2 345.491 2.241 10 30 EEEELP C=C(C)CC[NH2+]C[C@H](NC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1)C1CC1 ZINC001269071254 1183939298 /nfs/dbraw/zinc/93/92/98/1183939298.db2.gz FPNIINCVTSETFJ-ROUUACIJSA-N 2 2 345.491 2.241 10 30 EEEELP C[C@H](C[NH2+]CC#Cc1ccccc1)N(C)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001482336926 1185431748 /nfs/dbraw/zinc/43/17/48/1185431748.db2.gz FQSCPXBQOOHYJF-ZWKOTPCHSA-N 2 2 338.455 2.322 10 30 EEEELP C=CCC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001271100078 1185884856 /nfs/dbraw/zinc/88/48/56/1185884856.db2.gz HNQDBKIIIPPFEE-KBPBESRZSA-N 2 2 340.418 2.238 10 30 EEEELP C=CCC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001271100078 1185884863 /nfs/dbraw/zinc/88/48/63/1185884863.db2.gz HNQDBKIIIPPFEE-KBPBESRZSA-N 2 2 340.418 2.238 10 30 EEEELP C=CCC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001271100078 1185884869 /nfs/dbraw/zinc/88/48/69/1185884869.db2.gz HNQDBKIIIPPFEE-KBPBESRZSA-N 2 2 340.418 2.238 10 30 EEEELP C=CCC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001271100078 1185884881 /nfs/dbraw/zinc/88/48/81/1185884881.db2.gz HNQDBKIIIPPFEE-KBPBESRZSA-N 2 2 340.418 2.238 10 30 EEEELP C=CC[NH+]1CCC(C)(CNC(=O)[C@H]2COCC[N@@H+]2C2CCCC2)CC1 ZINC001484142663 1191237873 /nfs/dbraw/zinc/23/78/73/1191237873.db2.gz YNPIYUDDBHCPBH-GOSISDBHSA-N 2 2 349.519 2.034 10 30 EEEELP C=CC[NH+]1CCC(C)(CNC(=O)[C@H]2COCC[N@H+]2C2CCCC2)CC1 ZINC001484142663 1191237876 /nfs/dbraw/zinc/23/78/76/1191237876.db2.gz YNPIYUDDBHCPBH-GOSISDBHSA-N 2 2 349.519 2.034 10 30 EEEELP C=C(C)C[N@@H+]1CCC(F)(F)[C@H](CNC(=O)CCc2[nH+]ccn2C)C1 ZINC001484198667 1191269641 /nfs/dbraw/zinc/26/96/41/1191269641.db2.gz KVKDDXZSPOSYLP-CQSZACIVSA-N 2 2 340.418 2.002 10 30 EEEELP C=C(C)C[N@H+]1CCC(F)(F)[C@H](CNC(=O)CCc2[nH+]ccn2C)C1 ZINC001484198667 1191269643 /nfs/dbraw/zinc/26/96/43/1191269643.db2.gz KVKDDXZSPOSYLP-CQSZACIVSA-N 2 2 340.418 2.002 10 30 EEEELP C[C@@H]([NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)c1cccc(C#N)c1O ZINC000866264865 1201479840 /nfs/dbraw/zinc/47/98/40/1201479840.db2.gz FPYCJTYOTPJJHU-ZBFHGGJFSA-N 2 2 328.460 2.083 10 30 EEEELP Cc1nnc(-c2cccc(C#N)c2)n1C[N@H+](C)CCCn1cc[nH+]c1 ZINC000130619077 1201988779 /nfs/dbraw/zinc/98/87/79/1201988779.db2.gz ZAAAKWQCDWYTON-UHFFFAOYSA-N 2 2 335.415 2.301 10 30 EEEELP Cc1nnc(-c2cccc(C#N)c2)n1C[N@@H+](C)CCCn1cc[nH+]c1 ZINC000130619077 1201988781 /nfs/dbraw/zinc/98/87/81/1201988781.db2.gz ZAAAKWQCDWYTON-UHFFFAOYSA-N 2 2 335.415 2.301 10 30 EEEELP CC[C@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)c1cccc(C#N)c1O ZINC000924629264 1206006961 /nfs/dbraw/zinc/00/69/61/1206006961.db2.gz NYQGZSVHHLRBSM-KRWDZBQOSA-N 2 2 330.476 2.331 10 30 EEEELP C=CCCC[NH2+]C[C@H]1CCCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001491156167 1258733328 /nfs/dbraw/zinc/73/33/28/1258733328.db2.gz IXRABFSWZXGDRF-IAGOWNOFSA-N 2 2 330.476 2.240 10 30 EEEELP C#CCN(C(=O)CCc1c[nH]c[nH+]1)C1CC[NH+](C[C@H](C)CC)CC1 ZINC001278157591 1306134989 /nfs/dbraw/zinc/13/49/89/1306134989.db2.gz PDHPQEKRQVOFBX-MRXNPFEDSA-N 2 2 330.476 2.315 10 30 EEEELP C#CCN(C(=O)CCc1c[nH+]c[nH]1)C1CC[NH+](C[C@H](C)CC)CC1 ZINC001278157591 1306134990 /nfs/dbraw/zinc/13/49/90/1306134990.db2.gz PDHPQEKRQVOFBX-MRXNPFEDSA-N 2 2 330.476 2.315 10 30 EEEELP C#CC[NH+]1CCC([C@@H](C)NC(=O)[C@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001279089395 1319229251 /nfs/dbraw/zinc/22/92/51/1319229251.db2.gz BCKCVRAUAKOYSG-AEFFLSMTSA-N 2 2 330.476 2.320 10 30 EEEELP C#CCC[N@H+]1CCC[C@@H]1CCCNC(=O)Cc1c[nH+]ccc1OC ZINC001266222579 1323793979 /nfs/dbraw/zinc/79/39/79/1323793979.db2.gz CXSWNUHEIPRWBZ-KRWDZBQOSA-N 2 2 329.444 2.017 10 30 EEEELP C#CCC[N@@H+]1CCC[C@@H]1CCCNC(=O)Cc1c[nH+]ccc1OC ZINC001266222579 1323793985 /nfs/dbraw/zinc/79/39/85/1323793985.db2.gz CXSWNUHEIPRWBZ-KRWDZBQOSA-N 2 2 329.444 2.017 10 30 EEEELP C=CCOCC[NH2+]C[C@H](NC(=O)c1cccc2[nH+]ccn21)C(C)(C)C ZINC001284607927 1326628466 /nfs/dbraw/zinc/62/84/66/1326628466.db2.gz GVRHTVKXTFHGSJ-INIZCTEOSA-N 2 2 344.459 2.271 10 30 EEEELP C[C@@H](CNC(=O)C[C@H](C)n1cc[nH+]c1)[NH2+]Cc1ccccc1C#N ZINC001491595172 1330178007 /nfs/dbraw/zinc/17/80/07/1330178007.db2.gz MSKCRHIRFJQBGT-GJZGRUSLSA-N 2 2 325.416 2.000 10 30 EEEELP C=CCC[NH2+]CC1(NC(=O)c2cc([C@H]3CCC[N@H+]3C)n[nH]2)CCCC1 ZINC001318636334 1332571175 /nfs/dbraw/zinc/57/11/75/1332571175.db2.gz PQLOBRPFZZSDCJ-QGZVFWFLSA-N 2 2 345.491 2.385 10 30 EEEELP C=CCC[NH2+]CC1(NC(=O)c2cc([C@H]3CCC[N@@H+]3C)n[nH]2)CCCC1 ZINC001318636334 1332571178 /nfs/dbraw/zinc/57/11/78/1332571178.db2.gz PQLOBRPFZZSDCJ-QGZVFWFLSA-N 2 2 345.491 2.385 10 30 EEEELP C=CCCC[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC001324212908 1333635760 /nfs/dbraw/zinc/63/57/60/1333635760.db2.gz IMPDYCZFMDLERZ-RBUKOAKNSA-N 2 2 349.519 2.177 10 30 EEEELP C=CCCC[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC001324212908 1333635761 /nfs/dbraw/zinc/63/57/61/1333635761.db2.gz IMPDYCZFMDLERZ-RBUKOAKNSA-N 2 2 349.519 2.177 10 30 EEEELP C=CCC[NH2+]C[C@]1(C)CCN(C(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC001324774925 1333757376 /nfs/dbraw/zinc/75/73/76/1333757376.db2.gz FERDEJDZEPCVBV-ICSRJNTNSA-N 2 2 349.519 2.034 10 30 EEEELP C=CCC[NH2+]C[C@]1(C)CCN(C(=O)[C@@H]2COCC[N@H+]2C2CCCC2)C1 ZINC001324774925 1333757379 /nfs/dbraw/zinc/75/73/79/1333757379.db2.gz FERDEJDZEPCVBV-ICSRJNTNSA-N 2 2 349.519 2.034 10 30 EEEELP C=CCCCCC[N@@H+]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@@H]2C1 ZINC001656851027 1354283577 /nfs/dbraw/zinc/28/35/77/1354283577.db2.gz SJMQPXRYORBCPF-MSOLQXFVSA-N 2 2 330.476 2.410 10 30 EEEELP C=CCCCCC[N@H+]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@@H]2C1 ZINC001656851027 1354283581 /nfs/dbraw/zinc/28/35/81/1354283581.db2.gz SJMQPXRYORBCPF-MSOLQXFVSA-N 2 2 330.476 2.410 10 30 EEEELP C=C(C)CC[NH2+][C@@H](CC)CNC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC001665835098 1355397399 /nfs/dbraw/zinc/39/73/99/1355397399.db2.gz VANYUFJKEHCIGL-WMZOPIPTSA-N 2 2 337.508 2.080 10 30 EEEELP C=C(C)CC[NH2+][C@@H](CC)CNC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC001665835098 1355397404 /nfs/dbraw/zinc/39/74/04/1355397404.db2.gz VANYUFJKEHCIGL-WMZOPIPTSA-N 2 2 337.508 2.080 10 30 EEEELP C=C(C)C[NH2+]C[C@@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C1CCCC1 ZINC001671554752 1356361439 /nfs/dbraw/zinc/36/14/39/1356361439.db2.gz SEWKGGVGULBBAY-BRWVUGGUSA-N 2 2 330.476 2.364 10 30 EEEELP CC#CC[NH2+]C1(CC)CCN(C(=O)Cc2c[nH+]ccc2OC)CC1 ZINC001673601048 1356717152 /nfs/dbraw/zinc/71/71/52/1356717152.db2.gz CTWUVHOAMNCIAC-UHFFFAOYSA-N 2 2 329.444 2.017 10 30 EEEELP C=CCC[C@@H](C)[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001675759233 1357046516 /nfs/dbraw/zinc/04/65/16/1357046516.db2.gz FDDHGIVZZGVTQG-WCXIOVBPSA-N 2 2 330.476 2.285 10 30 EEEELP C=CC[NH+]1CC[C@@H](NC(=O)c2cc([C@H]3CCC[N@H+]3C)n[nH]2)C(C)(C)C1 ZINC000940764515 779241633 /nfs/dbraw/zinc/24/16/33/779241633.db2.gz LLAFVEANZSGSSV-IAGOWNOFSA-N 2 2 345.491 2.193 10 30 EEEELP C=CC[NH+]1CC[C@@H](NC(=O)c2cc([C@H]3CCC[N@@H+]3C)n[nH]2)C(C)(C)C1 ZINC000940764515 779241635 /nfs/dbraw/zinc/24/16/35/779241635.db2.gz LLAFVEANZSGSSV-IAGOWNOFSA-N 2 2 345.491 2.193 10 30 EEEELP C=CC[N@H+]1CC[C@@H](NC(=O)c2cc([C@H]3CCC[NH+]3C)n[nH]2)C(C)(C)C1 ZINC000940764515 779241641 /nfs/dbraw/zinc/24/16/41/779241641.db2.gz LLAFVEANZSGSSV-IAGOWNOFSA-N 2 2 345.491 2.193 10 30 EEEELP C=CC[N@@H+]1CC[C@@H](NC(=O)c2cc([C@H]3CCC[NH+]3C)n[nH]2)C(C)(C)C1 ZINC000940764515 779241647 /nfs/dbraw/zinc/24/16/47/779241647.db2.gz LLAFVEANZSGSSV-IAGOWNOFSA-N 2 2 345.491 2.193 10 30 EEEELP CC#CC[N@@H+]1CC[C@@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C(C)(C)C1 ZINC000940765905 779245651 /nfs/dbraw/zinc/24/56/51/779245651.db2.gz YUJQTHIQMWPCRC-QGZVFWFLSA-N 2 2 342.487 2.002 10 30 EEEELP CC#CC[N@H+]1CC[C@@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C(C)(C)C1 ZINC000940765905 779245654 /nfs/dbraw/zinc/24/56/54/779245654.db2.gz YUJQTHIQMWPCRC-QGZVFWFLSA-N 2 2 342.487 2.002 10 30 EEEELP C=C(Cl)C[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001441442150 1095065737 /nfs/dbraw/zinc/06/57/37/1095065737.db2.gz QVPZSMLUXGJGTP-HUUCEWRRSA-N 2 2 336.867 2.025 10 30 EEEELP C=C(Br)C[N@H+](C)CCCNC(=O)CC1CC[NH+](C)CC1 ZINC001479800711 1099027924 /nfs/dbraw/zinc/02/79/24/1099027924.db2.gz SLQSLKNPZKYFNO-UHFFFAOYSA-N 2 2 346.313 2.065 10 30 EEEELP C=C(Br)C[N@@H+](C)CCCNC(=O)CC1CC[NH+](C)CC1 ZINC001479800711 1099027935 /nfs/dbraw/zinc/02/79/35/1099027935.db2.gz SLQSLKNPZKYFNO-UHFFFAOYSA-N 2 2 346.313 2.065 10 30 EEEELP C=CC[NH2+]CCC1CCN(C(=O)[C@H]2COCC[N@@H+]2C2CCCC2)CC1 ZINC001495425995 1101143619 /nfs/dbraw/zinc/14/36/19/1101143619.db2.gz PRTNXBVULSSMTC-LJQANCHMSA-N 2 2 349.519 2.034 10 30 EEEELP C=CC[NH2+]CCC1CCN(C(=O)[C@H]2COCC[N@H+]2C2CCCC2)CC1 ZINC001495425995 1101143621 /nfs/dbraw/zinc/14/36/21/1101143621.db2.gz PRTNXBVULSSMTC-LJQANCHMSA-N 2 2 349.519 2.034 10 30 EEEELP C=CC[NH2+]Cc1ccc(CNC(=O)Cc2cn3c([nH+]2)CCCC3)cc1 ZINC001495490711 1101200128 /nfs/dbraw/zinc/20/01/28/1101200128.db2.gz YRDDARNCBIJIFF-UHFFFAOYSA-N 2 2 338.455 2.354 10 30 EEEELP C[C@H](C[NH2+]CC#Cc1ccccc1Cl)N(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001496169454 1102164170 /nfs/dbraw/zinc/16/41/70/1102164170.db2.gz JFCJUYFCGLBPCM-CQSZACIVSA-N 2 2 344.846 2.094 10 30 EEEELP CC[C@H](C(=O)N1CCC([N@H+](CC#N)CC2CC2)CC1)[NH+](CC)CC ZINC001499530998 1112347116 /nfs/dbraw/zinc/34/71/16/1112347116.db2.gz PJRFVKVGZBFDQG-GOSISDBHSA-N 2 2 334.508 2.333 10 30 EEEELP CC[C@H](C(=O)N1CCC([N@@H+](CC#N)CC2CC2)CC1)[NH+](CC)CC ZINC001499530998 1112347121 /nfs/dbraw/zinc/34/71/21/1112347121.db2.gz PJRFVKVGZBFDQG-GOSISDBHSA-N 2 2 334.508 2.333 10 30 EEEELP C#CCN(C(=O)[C@H]1CCn2cc[nH+]c2C1)C1CC[NH+](CC(C)C)CC1 ZINC001500042428 1112590043 /nfs/dbraw/zinc/59/00/43/1112590043.db2.gz XNLCHISNERXWFT-KRWDZBQOSA-N 2 2 342.487 2.028 10 30 EEEELP C=C(C)C[NH2+]CC1CC(NC(=O)Cc2cn3cccc(C)c3[nH+]2)C1 ZINC001505525416 1114034999 /nfs/dbraw/zinc/03/49/99/1114034999.db2.gz ZEUBAQVGOFCZFZ-UHFFFAOYSA-N 2 2 326.444 2.246 10 30 EEEELP C=CCCC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001507014600 1115054746 /nfs/dbraw/zinc/05/47/46/1115054746.db2.gz GMEDHHKVPRFKDR-SJLPKXTDSA-N 2 2 330.476 2.238 10 30 EEEELP C[C@H](CN(C)C(=O)Cc1[nH]cc[nH+]1)[NH2+]CC#Cc1ccccc1Cl ZINC001507137804 1115128021 /nfs/dbraw/zinc/12/80/21/1115128021.db2.gz YATNZVHGXCHIDY-CQSZACIVSA-N 2 2 344.846 2.094 10 30 EEEELP C#CCC[N@@H+](C)CCC1CCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC001568438182 1124507999 /nfs/dbraw/zinc/50/79/99/1124507999.db2.gz WVDODNMBMSLFOP-GOSISDBHSA-N 2 2 342.487 2.029 10 30 EEEELP C#CCC[N@H+](C)CCC1CCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC001568438182 1124508005 /nfs/dbraw/zinc/50/80/05/1124508005.db2.gz WVDODNMBMSLFOP-GOSISDBHSA-N 2 2 342.487 2.029 10 30 EEEELP C[C@@H]([NH2+]C[C@@H]1CCCn2cc[nH+]c21)C(=O)NC1(C#N)CCCCC1 ZINC000089448598 462682942 /nfs/dbraw/zinc/68/29/42/462682942.db2.gz FRFPIHRDEQHXIL-CABCVRRESA-N 2 2 329.448 2.081 10 30 EEEELP CC[NH+]=C(NCCc1cn2c([nH+]1)CCCC2)N1CCC(OCC)CC1 ZINC000083867541 463565805 /nfs/dbraw/zinc/56/58/05/463565805.db2.gz GEJNFJNUETXZAO-UHFFFAOYSA-N 2 2 347.507 2.228 10 30 EEEELP C=C(C)C[N@@H+](C)CC(=O)N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000181279171 464465668 /nfs/dbraw/zinc/46/56/68/464465668.db2.gz DQTGUNHWZVTIEN-UHFFFAOYSA-N 2 2 345.491 2.065 10 30 EEEELP C=C(C)C[N@H+](C)CC(=O)N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000181279171 464465673 /nfs/dbraw/zinc/46/56/73/464465673.db2.gz DQTGUNHWZVTIEN-UHFFFAOYSA-N 2 2 345.491 2.065 10 30 EEEELP CCN(CCC#N)C(=O)C[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000189905606 464561814 /nfs/dbraw/zinc/56/18/14/464561814.db2.gz JPUUZSSUYCDGDE-OAHLLOKOSA-N 2 2 325.416 2.285 10 30 EEEELP Cc1cn2c([nH+]1)[C@H](C[NH+]=C([O-])NC[C@H]1CCc3[nH+]ccn3C1)CCC2 ZINC000329893231 465463979 /nfs/dbraw/zinc/46/39/79/465463979.db2.gz ARWTWEFARBVZTH-CABCVRRESA-N 2 2 342.447 2.032 10 30 EEEELP Cc1cn2c([nH+]1)[C@H](CNC([O-])=[NH+]C[C@H]1CCc3[nH+]ccn3C1)CCC2 ZINC000329893231 465463985 /nfs/dbraw/zinc/46/39/85/465463985.db2.gz ARWTWEFARBVZTH-CABCVRRESA-N 2 2 342.447 2.032 10 30 EEEELP C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000366535900 465787459 /nfs/dbraw/zinc/78/74/59/465787459.db2.gz PSAPWWOTWNRTAT-OWODTTCDSA-N 2 2 346.519 2.333 10 30 EEEELP C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000366535900 465787461 /nfs/dbraw/zinc/78/74/61/465787461.db2.gz PSAPWWOTWNRTAT-OWODTTCDSA-N 2 2 346.519 2.333 10 30 EEEELP C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000366535900 465787465 /nfs/dbraw/zinc/78/74/65/465787465.db2.gz PSAPWWOTWNRTAT-OWODTTCDSA-N 2 2 346.519 2.333 10 30 EEEELP C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000366535900 465787468 /nfs/dbraw/zinc/78/74/68/465787468.db2.gz PSAPWWOTWNRTAT-OWODTTCDSA-N 2 2 346.519 2.333 10 30 EEEELP C[C@@H](c1cccc(NC(=O)[C@H]([NH3+])CCCCC#N)c1)[NH+]1CCOCC1 ZINC000594439739 468587933 /nfs/dbraw/zinc/58/79/33/468587933.db2.gz YXLCLESUUBCWTA-MAUKXSAKSA-N 2 2 344.459 2.430 10 30 EEEELP O=C1/C(=C\c2[nH]cc[nH+]2)CC(O)(C(F)(F)F)C/C1=C/c1[nH]cc[nH+]1 ZINC000764431967 577735878 /nfs/dbraw/zinc/73/58/78/577735878.db2.gz HRMHSOKNRGYHLQ-OZDSWYPASA-N 2 2 338.289 2.256 10 30 EEEELP C=CCC[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001266459484 1176573744 /nfs/dbraw/zinc/57/37/44/1176573744.db2.gz QVGMHDYTDGWWPU-IRXDYDNUSA-N 2 2 330.476 2.192 10 30 EEEELP C=CCC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001266459484 1176573750 /nfs/dbraw/zinc/57/37/50/1176573750.db2.gz QVGMHDYTDGWWPU-IRXDYDNUSA-N 2 2 330.476 2.192 10 30 EEEELP C=CCC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC001691244785 1177764220 /nfs/dbraw/zinc/76/42/20/1177764220.db2.gz BBYGKTPYIFZDNC-YQVWRLOYSA-N 2 2 349.519 2.080 10 30 EEEELP C=CCC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2COCC[N@H+]2C2CCCC2)C1 ZINC001691244785 1177764227 /nfs/dbraw/zinc/76/42/27/1177764227.db2.gz BBYGKTPYIFZDNC-YQVWRLOYSA-N 2 2 349.519 2.080 10 30 EEEELP C=CCCCCC[N@@H+]1C[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)[C@@H](O)C1 ZINC001691383989 1177989340 /nfs/dbraw/zinc/98/93/40/1177989340.db2.gz GAZFWMWRBLDXOS-MSOLQXFVSA-N 2 2 342.443 2.084 10 30 EEEELP C=CCCCCC[N@H+]1C[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)[C@@H](O)C1 ZINC001691383989 1177989348 /nfs/dbraw/zinc/98/93/48/1177989348.db2.gz GAZFWMWRBLDXOS-MSOLQXFVSA-N 2 2 342.443 2.084 10 30 EEEELP C=C(C)C[N@@H+]1CCC[C@H]1CCCNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001267168300 1178385177 /nfs/dbraw/zinc/38/51/77/1178385177.db2.gz ACAYWQMETJFZDZ-DLBZAZTESA-N 2 2 330.476 2.382 10 30 EEEELP C=C(C)C[N@H+]1CCC[C@H]1CCCNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001267168300 1178385186 /nfs/dbraw/zinc/38/51/86/1178385186.db2.gz ACAYWQMETJFZDZ-DLBZAZTESA-N 2 2 330.476 2.382 10 30 EEEELP C#CCC[NH2+][C@@H](C)C1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC001267190129 1178460984 /nfs/dbraw/zinc/46/09/84/1178460984.db2.gz CMPXGAWHILEQCK-INIZCTEOSA-N 2 2 330.476 2.167 10 30 EEEELP CCC[N@@H+](CC#Cc1ccccc1)CCNC(=O)CCn1cc[nH+]c1 ZINC001267316383 1178743686 /nfs/dbraw/zinc/74/36/86/1178743686.db2.gz NQCMQFJHOUDVDS-UHFFFAOYSA-N 2 2 338.455 2.153 10 30 EEEELP CCC[N@H+](CC#Cc1ccccc1)CCNC(=O)CCn1cc[nH+]c1 ZINC001267316383 1178743690 /nfs/dbraw/zinc/74/36/90/1178743690.db2.gz NQCMQFJHOUDVDS-UHFFFAOYSA-N 2 2 338.455 2.153 10 30 EEEELP C=CCC[NH2+][C@H]1CC[C@H](NC(=O)c2cc([C@@H]3CCC[N@H+]3C)n[nH]2)CC1 ZINC001482016743 1183135013 /nfs/dbraw/zinc/13/50/13/1183135013.db2.gz FUPRNCZRLUCNTF-MPGHIAIKSA-N 2 2 345.491 2.383 10 30 EEEELP C=CCC[NH2+][C@H]1CC[C@H](NC(=O)c2cc([C@@H]3CCC[N@@H+]3C)n[nH]2)CC1 ZINC001482016743 1183135021 /nfs/dbraw/zinc/13/50/21/1183135021.db2.gz FUPRNCZRLUCNTF-MPGHIAIKSA-N 2 2 345.491 2.383 10 30 EEEELP C#CCC[NH2+]CC[C@H]1CCCN(C(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001269737439 1184570280 /nfs/dbraw/zinc/57/02/80/1184570280.db2.gz KAZARLMFQPBXBT-QGZVFWFLSA-N 2 2 342.487 2.004 10 30 EEEELP C=CCCC[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCc3[nH+]ccn3C1)CC2 ZINC001482243488 1184629905 /nfs/dbraw/zinc/62/99/05/1184629905.db2.gz RXVHVKRZYBWQCG-KRWDZBQOSA-N 2 2 342.487 2.336 10 30 EEEELP C=CCC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001271100080 1185884689 /nfs/dbraw/zinc/88/46/89/1185884689.db2.gz HNQDBKIIIPPFEE-UONOGXRCSA-N 2 2 340.418 2.238 10 30 EEEELP C=CCC[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001271100080 1185884703 /nfs/dbraw/zinc/88/47/03/1185884703.db2.gz HNQDBKIIIPPFEE-UONOGXRCSA-N 2 2 340.418 2.238 10 30 EEEELP C=CCC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001271100080 1185884714 /nfs/dbraw/zinc/88/47/14/1185884714.db2.gz HNQDBKIIIPPFEE-UONOGXRCSA-N 2 2 340.418 2.238 10 30 EEEELP C=CCC[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001271100080 1185884727 /nfs/dbraw/zinc/88/47/27/1185884727.db2.gz HNQDBKIIIPPFEE-UONOGXRCSA-N 2 2 340.418 2.238 10 30 EEEELP C=CC[N@@H+](C)Cc1ccccc1CNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001272669441 1191005252 /nfs/dbraw/zinc/00/52/52/1191005252.db2.gz CGEDNTLQFLWSGO-MRXNPFEDSA-N 2 2 338.455 2.380 10 30 EEEELP C=CC[N@H+](C)Cc1ccccc1CNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001272669441 1191005254 /nfs/dbraw/zinc/00/52/54/1191005254.db2.gz CGEDNTLQFLWSGO-MRXNPFEDSA-N 2 2 338.455 2.380 10 30 EEEELP C#CCC[N@H+]1CC[C@]2(CCN(C(=O)[C@@H](CC(C)C)n3cc[nH+]c3)C2)C1 ZINC001483842468 1191075851 /nfs/dbraw/zinc/07/58/51/1191075851.db2.gz OAKIPOOORPERCD-QUCCMNQESA-N 2 2 342.487 2.418 10 30 EEEELP C#CCC[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H](CC(C)C)n3cc[nH+]c3)C2)C1 ZINC001483842468 1191075852 /nfs/dbraw/zinc/07/58/52/1191075852.db2.gz OAKIPOOORPERCD-QUCCMNQESA-N 2 2 342.487 2.418 10 30 EEEELP C=CCCC[N@@H+]1CC[C@@]2(NC(=O)CCc3c[nH+]cn3C)CCC[C@@H]12 ZINC001486162044 1193707023 /nfs/dbraw/zinc/70/70/23/1193707023.db2.gz YSYSSASGNKEQMH-MJGOQNOKSA-N 2 2 330.476 2.432 10 30 EEEELP C=CCCC[N@H+]1CC[C@@]2(NC(=O)CCc3c[nH+]cn3C)CCC[C@@H]12 ZINC001486162044 1193707024 /nfs/dbraw/zinc/70/70/24/1193707024.db2.gz YSYSSASGNKEQMH-MJGOQNOKSA-N 2 2 330.476 2.432 10 30 EEEELP C=CC[NH+]1CCC([C@@H](C)NC(=O)Cc2cn3c([nH+]2)CCCC3)CC1 ZINC001486438123 1193957495 /nfs/dbraw/zinc/95/74/95/1193957495.db2.gz XPHCFOXHQKROFY-OAHLLOKOSA-N 2 2 330.476 2.165 10 30 EEEELP C[C@H](CC[NH2+]CC#Cc1cccc(Cl)c1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001273091966 1194378523 /nfs/dbraw/zinc/37/85/23/1194378523.db2.gz YOZMQFWMDHWJHV-CQSZACIVSA-N 2 2 344.846 2.142 10 30 EEEELP C[C@@H](CN(C)C(=O)C(C)(C)c1c[nH+]c[nH]1)[NH2+]Cc1ccc(C#N)s1 ZINC001410496782 1198051422 /nfs/dbraw/zinc/05/14/22/1198051422.db2.gz OOSCHTPQSHIWKP-LBPRGKRZSA-N 2 2 345.472 2.257 10 30 EEEELP CC(C)[C@@H](C[NH2+][C@H](C)c1cccc(C#N)c1O)N1CC[NH+](C)CC1 ZINC000866226159 1201471004 /nfs/dbraw/zinc/47/10/04/1201471004.db2.gz GYUDQNCGJCVMNH-CRAIPNDOSA-N 2 2 330.476 2.186 10 30 EEEELP C#CC[NH+]1CCC(NC(=O)[C@H](c2cccc(Cl)c2)[NH+](C)C)CC1 ZINC000928658036 1206408814 /nfs/dbraw/zinc/40/88/14/1206408814.db2.gz JXHXABDNHFWMFU-KRWDZBQOSA-N 2 2 333.863 2.157 10 30 EEEELP C[N@H+](CCN1CC[NH+](Cc2ccccc2)CC1)Cc1cc(C#N)ccn1 ZINC001412980943 1216338887 /nfs/dbraw/zinc/33/88/87/1216338887.db2.gz GVXYLZHXHFLVRZ-UHFFFAOYSA-N 2 2 349.482 2.203 10 30 EEEELP C[N@@H+](CCN1CC[NH+](Cc2ccccc2)CC1)Cc1cc(C#N)ccn1 ZINC001412980943 1216338893 /nfs/dbraw/zinc/33/88/93/1216338893.db2.gz GVXYLZHXHFLVRZ-UHFFFAOYSA-N 2 2 349.482 2.203 10 30 EEEELP C=C(C)CC[NH2+][C@@H](C)[C@@H]1CN(C(=O)c2cccc3[nH+]ccn32)CCO1 ZINC001276791062 1297734298 /nfs/dbraw/zinc/73/42/98/1297734298.db2.gz SPDDDZYMQPQYIL-RDJZCZTQSA-N 2 2 342.443 2.120 10 30 EEEELP C=CCC[N@H+]1CCC[C@](C)(CNC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001278667642 1317608548 /nfs/dbraw/zinc/60/85/48/1317608548.db2.gz HFOWHVJVZRCVPH-QFBILLFUSA-N 2 2 330.476 2.240 10 30 EEEELP C=CCC[N@@H+]1CCC[C@](C)(CNC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001278667642 1317608550 /nfs/dbraw/zinc/60/85/50/1317608550.db2.gz HFOWHVJVZRCVPH-QFBILLFUSA-N 2 2 330.476 2.240 10 30 EEEELP C=C(Cl)C[N@H+](CCCNC(=O)[C@H]1CCn2c[nH+]cc2C1)C1CC1 ZINC001265165786 1322960538 /nfs/dbraw/zinc/96/05/38/1322960538.db2.gz GXOBRFCDLQDEIL-AWEZNQCLSA-N 2 2 336.867 2.169 10 30 EEEELP C=C(Cl)C[N@@H+](CCCNC(=O)[C@H]1CCn2c[nH+]cc2C1)C1CC1 ZINC001265165786 1322960541 /nfs/dbraw/zinc/96/05/41/1322960541.db2.gz GXOBRFCDLQDEIL-AWEZNQCLSA-N 2 2 336.867 2.169 10 30 EEEELP C=CCCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001317047211 1332059213 /nfs/dbraw/zinc/05/92/13/1332059213.db2.gz LFIFSJSSISSNQQ-HDICACEKSA-N 2 2 342.487 2.403 10 30 EEEELP C=CCCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001317047211 1332059214 /nfs/dbraw/zinc/05/92/14/1332059214.db2.gz LFIFSJSSISSNQQ-HDICACEKSA-N 2 2 342.487 2.403 10 30 EEEELP C=CCCC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001317842091 1332428718 /nfs/dbraw/zinc/42/87/18/1332428718.db2.gz LEPRQHYLAHZPDT-DLBZAZTESA-N 2 2 330.476 2.192 10 30 EEEELP C=CCCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001317842091 1332428721 /nfs/dbraw/zinc/42/87/21/1332428721.db2.gz LEPRQHYLAHZPDT-DLBZAZTESA-N 2 2 330.476 2.192 10 30 EEEELP C#CCC[NH2+][C@@H](C)[C@H]1CCCN(C(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001319805195 1332771780 /nfs/dbraw/zinc/77/17/80/1332771780.db2.gz HCEATIKHICPQSN-IRXDYDNUSA-N 2 2 342.487 2.002 10 30 EEEELP CC#CC[N@@H+]1Cc2ccc(CNC(=O)C[NH+]3CCC(C)CC3)cc2C1 ZINC001327695936 1334336086 /nfs/dbraw/zinc/33/60/86/1334336086.db2.gz LUTVAHJHPGDJRD-UHFFFAOYSA-N 2 2 339.483 2.374 10 30 EEEELP CC#CC[N@H+]1Cc2ccc(CNC(=O)C[NH+]3CCC(C)CC3)cc2C1 ZINC001327695936 1334336087 /nfs/dbraw/zinc/33/60/87/1334336087.db2.gz LUTVAHJHPGDJRD-UHFFFAOYSA-N 2 2 339.483 2.374 10 30 EEEELP C=C(C)CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC001565849314 1342569279 /nfs/dbraw/zinc/56/92/79/1342569279.db2.gz BBTAVDPNQMOCKI-ZIFCJYIRSA-N 2 2 349.519 2.080 10 30 EEEELP C=C(C)CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2COCC[N@H+]2C2CCCC2)C1 ZINC001565849314 1342569284 /nfs/dbraw/zinc/56/92/84/1342569284.db2.gz BBTAVDPNQMOCKI-ZIFCJYIRSA-N 2 2 349.519 2.080 10 30 EEEELP C=CCCC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)C1 ZINC001569477093 1342880669 /nfs/dbraw/zinc/88/06/69/1342880669.db2.gz AOWQBTYNSLJTCJ-GPMSIDNRSA-N 2 2 328.460 2.404 10 30 EEEELP C=CCCC[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)C1 ZINC001569477093 1342880672 /nfs/dbraw/zinc/88/06/72/1342880672.db2.gz AOWQBTYNSLJTCJ-GPMSIDNRSA-N 2 2 328.460 2.404 10 30 EEEELP C=CCCC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)C1 ZINC001569477093 1342880677 /nfs/dbraw/zinc/88/06/77/1342880677.db2.gz AOWQBTYNSLJTCJ-GPMSIDNRSA-N 2 2 328.460 2.404 10 30 EEEELP C=CCCC[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)C1 ZINC001569477093 1342880682 /nfs/dbraw/zinc/88/06/82/1342880682.db2.gz AOWQBTYNSLJTCJ-GPMSIDNRSA-N 2 2 328.460 2.404 10 30 EEEELP C=CCC[C@H](C)[NH2+][C@H]1C[C@@H](NC(=O)c2cc([C@@H]3CCC[N@@H+]3C)n[nH]2)C1 ZINC001661602184 1354663618 /nfs/dbraw/zinc/66/36/18/1354663618.db2.gz UWZMIZHBVRWOII-AFIMGQEJSA-N 2 2 345.491 2.382 10 30 EEEELP C=CCC[C@H](C)[NH2+][C@H]1C[C@@H](NC(=O)c2cc([C@@H]3CCC[N@H+]3C)n[nH]2)C1 ZINC001661602184 1354663624 /nfs/dbraw/zinc/66/36/24/1354663624.db2.gz UWZMIZHBVRWOII-AFIMGQEJSA-N 2 2 345.491 2.382 10 30 EEEELP CC#CC[N@@H+]1CC[C@@H](CCNC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001664721494 1355222348 /nfs/dbraw/zinc/22/23/48/1355222348.db2.gz DVXBLTZHTHGKSU-QZTJIDSGSA-N 2 2 330.476 2.322 10 30 EEEELP CC#CC[N@H+]1CC[C@@H](CCNC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001664721494 1355222351 /nfs/dbraw/zinc/22/23/51/1355222351.db2.gz DVXBLTZHTHGKSU-QZTJIDSGSA-N 2 2 330.476 2.322 10 30 EEEELP C=CCCC[NH+]1CCC[C@@H](NC(=O)c2cc([C@@H]3CCC[N@H+]3C)n[nH]2)C1 ZINC001664993427 1355261160 /nfs/dbraw/zinc/26/11/60/1355261160.db2.gz GZOZPMTXYKTTEE-QAPCUYQASA-N 2 2 345.491 2.337 10 30 EEEELP C=CCCC[NH+]1CCC[C@@H](NC(=O)c2cc([C@@H]3CCC[N@@H+]3C)n[nH]2)C1 ZINC001664993427 1355261162 /nfs/dbraw/zinc/26/11/62/1355261162.db2.gz GZOZPMTXYKTTEE-QAPCUYQASA-N 2 2 345.491 2.337 10 30 EEEELP C=CCCC[N@H+]1CCC[C@@H](NC(=O)c2cc([C@@H]3CCC[NH+]3C)n[nH]2)C1 ZINC001664993427 1355261167 /nfs/dbraw/zinc/26/11/67/1355261167.db2.gz GZOZPMTXYKTTEE-QAPCUYQASA-N 2 2 345.491 2.337 10 30 EEEELP C=CCCC[N@@H+]1CCC[C@@H](NC(=O)c2cc([C@@H]3CCC[NH+]3C)n[nH]2)C1 ZINC001664993427 1355261174 /nfs/dbraw/zinc/26/11/74/1355261174.db2.gz GZOZPMTXYKTTEE-QAPCUYQASA-N 2 2 345.491 2.337 10 30 EEEELP C#CC[NH+]1Cc2ccccc2C[C@H]1CNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001673634786 1356721919 /nfs/dbraw/zinc/72/19/19/1356721919.db2.gz VLQIBTUSEBSADN-UXHICEINSA-N 2 2 339.483 2.037 10 30 EEEELP C#CC[NH+]1Cc2ccccc2C[C@H]1CNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001673634786 1356721922 /nfs/dbraw/zinc/72/19/22/1356721922.db2.gz VLQIBTUSEBSADN-UXHICEINSA-N 2 2 339.483 2.037 10 30 EEEELP C#CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)CC[C@H]1CCC[NH+]1C ZINC001673634786 1356721927 /nfs/dbraw/zinc/72/19/27/1356721927.db2.gz VLQIBTUSEBSADN-UXHICEINSA-N 2 2 339.483 2.037 10 30 EEEELP C#CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)CC[C@H]1CCC[NH+]1C ZINC001673634786 1356721929 /nfs/dbraw/zinc/72/19/29/1356721929.db2.gz VLQIBTUSEBSADN-UXHICEINSA-N 2 2 339.483 2.037 10 30 EEEELP CC#CC[N@@H+]1CC[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C(C)(C)C1 ZINC000940746107 779202378 /nfs/dbraw/zinc/20/23/78/779202378.db2.gz ZVZVRERHIFXGMV-KRWDZBQOSA-N 2 2 338.455 2.496 10 30 EEEELP CC#CC[N@H+]1CC[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C(C)(C)C1 ZINC000940746107 779202386 /nfs/dbraw/zinc/20/23/86/779202386.db2.gz ZVZVRERHIFXGMV-KRWDZBQOSA-N 2 2 338.455 2.496 10 30 EEEELP CC#CC[N@@H+]1CCC[C@@H]2[C@H](NC(=O)CCCn3cc[nH+]c3)C(C)(C)[C@H]21 ZINC001565995047 1125492370 /nfs/dbraw/zinc/49/23/70/1125492370.db2.gz NRHTXAIANWFYCO-NEWSRXKRSA-N 2 2 342.487 2.292 10 30 EEEELP CC#CC[N@H+]1CCC[C@@H]2[C@H](NC(=O)CCCn3cc[nH+]c3)C(C)(C)[C@H]21 ZINC001565995047 1125492374 /nfs/dbraw/zinc/49/23/74/1125492374.db2.gz NRHTXAIANWFYCO-NEWSRXKRSA-N 2 2 342.487 2.292 10 30 EEEELP CC#CC[NH2+]C[C@@]1(NC(=O)CCCn2cc[nH+]c2)CCCC[C@@H]1C ZINC001495331840 1101039323 /nfs/dbraw/zinc/03/93/23/1101039323.db2.gz GZDZTXGCXAPLKR-HKUYNNGSSA-N 2 2 330.476 2.341 10 30 EEEELP N#Cc1cccc(C[NH2+]C2(CNC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CCC2)c1 ZINC001447207325 1102202453 /nfs/dbraw/zinc/20/24/53/1102202453.db2.gz CPGJAQBTGSHFSK-IAGOWNOFSA-N 2 2 349.438 2.214 10 30 EEEELP N#Cc1cccc(C[NH2+]C2(CNC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CCC2)c1 ZINC001447207325 1102202465 /nfs/dbraw/zinc/20/24/65/1102202465.db2.gz CPGJAQBTGSHFSK-IAGOWNOFSA-N 2 2 349.438 2.214 10 30 EEEELP CCC[N@H+](C)CC(=O)N[C@@H]1CC[NH+](CC#Cc2cccc(Cl)c2)C1 ZINC001494786206 1104367968 /nfs/dbraw/zinc/36/79/68/1104367968.db2.gz DCRYXTUIQDKWCB-GOSISDBHSA-N 2 2 347.890 2.224 10 30 EEEELP CCC[N@@H+](C)CC(=O)N[C@@H]1CC[NH+](CC#Cc2cccc(Cl)c2)C1 ZINC001494786206 1104367975 /nfs/dbraw/zinc/36/79/75/1104367975.db2.gz DCRYXTUIQDKWCB-GOSISDBHSA-N 2 2 347.890 2.224 10 30 EEEELP CCC[NH+](C)CC(=O)N[C@@H]1CC[N@H+](CC#Cc2cccc(Cl)c2)C1 ZINC001494786206 1104367987 /nfs/dbraw/zinc/36/79/87/1104367987.db2.gz DCRYXTUIQDKWCB-GOSISDBHSA-N 2 2 347.890 2.224 10 30 EEEELP CCC[NH+](C)CC(=O)N[C@@H]1CC[N@@H+](CC#Cc2cccc(Cl)c2)C1 ZINC001494786206 1104367998 /nfs/dbraw/zinc/36/79/98/1104367998.db2.gz DCRYXTUIQDKWCB-GOSISDBHSA-N 2 2 347.890 2.224 10 30 EEEELP C[C@H](CC(=O)N(C)CC[NH2+]Cc1ccc(C#N)c(F)c1)n1cc[nH+]c1 ZINC001493710306 1108547607 /nfs/dbraw/zinc/54/76/07/1108547607.db2.gz RPEFXTMAUVIMDK-CQSZACIVSA-N 2 2 343.406 2.093 10 30 EEEELP C=C(C)C[N@@H+]1CCC[C@@](C)(CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001500504853 1112896186 /nfs/dbraw/zinc/89/61/86/1112896186.db2.gz DGNLPLUOFTZHHM-APWZRJJASA-N 2 2 330.476 2.240 10 30 EEEELP C=C(C)C[N@H+]1CCC[C@@](C)(CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001500504853 1112896189 /nfs/dbraw/zinc/89/61/89/1112896189.db2.gz DGNLPLUOFTZHHM-APWZRJJASA-N 2 2 330.476 2.240 10 30 EEEELP C=CCC[NH2+]C1(C)CCN(C(=O)[C@H]2COCC[N@@H+]2C2CCCC2)CC1 ZINC001502793467 1113801913 /nfs/dbraw/zinc/80/19/13/1113801913.db2.gz JVIWCSXMRMXAKX-GOSISDBHSA-N 2 2 349.519 2.177 10 30 EEEELP C=CCC[NH2+]C1(C)CCN(C(=O)[C@H]2COCC[N@H+]2C2CCCC2)CC1 ZINC001502793467 1113801916 /nfs/dbraw/zinc/80/19/16/1113801916.db2.gz JVIWCSXMRMXAKX-GOSISDBHSA-N 2 2 349.519 2.177 10 30 EEEELP C=CCCCCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001567858792 1124142767 /nfs/dbraw/zinc/14/27/67/1124142767.db2.gz XKPKTXFDRZJOTI-WDSOQIARSA-N 2 2 342.487 2.477 10 30 EEEELP C=CCCCCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001567858792 1124142769 /nfs/dbraw/zinc/14/27/69/1124142769.db2.gz XKPKTXFDRZJOTI-WDSOQIARSA-N 2 2 342.487 2.477 10 30 EEEELP C=CC[NH2+]C[C@@H](NC(=O)[C@@H]1CCn2c[nH+]cc2C1)C1CCCCC1 ZINC001568343133 1124427851 /nfs/dbraw/zinc/42/78/51/1124427851.db2.gz BXVNVQYYGQTNGG-SJLPKXTDSA-N 2 2 330.476 2.286 10 30 EEEELP C#CCC[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001568407222 1124476021 /nfs/dbraw/zinc/47/60/21/1124476021.db2.gz QBXSDDCRAIDGMA-DLBZAZTESA-N 2 2 330.476 2.167 10 30 EEEELP N#Cc1ccc2[nH+]cc(CN(CC[NH3+])c3ccccc3[N+](=O)[O-])n2c1 ZINC000348927321 465876531 /nfs/dbraw/zinc/87/65/31/465876531.db2.gz ZYANUNOCLRLSTD-UHFFFAOYSA-N 2 2 336.355 2.079 10 30 EEEELP C=CC[NH+]1CCC(NC(=O)NC2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000364581303 466706385 /nfs/dbraw/zinc/70/63/85/466706385.db2.gz VXRBLQWAKLRCPJ-UHFFFAOYSA-N 2 2 343.475 2.000 10 30 EEEELP CC#CC[NH2+][C@H](C)C1CCN(C(=O)Cc2cn3c([nH+]2)CCCC3)CC1 ZINC001267184630 1178446884 /nfs/dbraw/zinc/44/68/84/1178446884.db2.gz BMNOHPDSPFHTFB-MRXNPFEDSA-N 2 2 342.487 2.002 10 30 EEEELP C#CCC[NH2+]C[C@@]1(NC(=O)CCc2[nH+]ccn2C)CCCC[C@@H]1C ZINC001481961850 1183044929 /nfs/dbraw/zinc/04/49/29/1183044929.db2.gz OTHXCTJXQAMKEY-LPHOPBHVSA-N 2 2 330.476 2.031 10 30 EEEELP C=C(C)C[NH2+]C[C@](C)(NC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1)C1CC1 ZINC001269620073 1184444408 /nfs/dbraw/zinc/44/44/08/1184444408.db2.gz YDMLCIIWKDZMJE-MJGOQNOKSA-N 2 2 345.491 2.241 10 30 EEEELP C=C(C)C[NH2+]C[C@](C)(NC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1)C1CC1 ZINC001269620073 1184444412 /nfs/dbraw/zinc/44/44/12/1184444412.db2.gz YDMLCIIWKDZMJE-MJGOQNOKSA-N 2 2 345.491 2.241 10 30 EEEELP C=C(C)CC[NH2+]C[C@@]1(C)CCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001270745103 1185361993 /nfs/dbraw/zinc/36/19/93/1185361993.db2.gz UXAREYFMACDWLJ-QFBILLFUSA-N 2 2 330.476 2.240 10 30 EEEELP C[C@H](C[NH2+]CC#Cc1ccccc1)N(C)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001482336922 1185431717 /nfs/dbraw/zinc/43/17/17/1185431717.db2.gz FQSCPXBQOOHYJF-QZTJIDSGSA-N 2 2 338.455 2.322 10 30 EEEELP C#CC[NH2+]C[C@H](NC(=O)C(C)(C)n1c[nH+]c(C)c1)C1CCCCC1 ZINC001271341517 1186150078 /nfs/dbraw/zinc/15/00/78/1186150078.db2.gz QYXPPGBIUOEDJK-KRWDZBQOSA-N 2 2 330.476 2.215 10 30 EEEELP CC#CC[N@H+](C)CCC1CCN(C(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001271784703 1186481263 /nfs/dbraw/zinc/48/12/63/1186481263.db2.gz NDHLJNRGFMEFMW-KRWDZBQOSA-N 2 2 330.476 2.418 10 30 EEEELP CC#CC[N@@H+](C)CCC1CCN(C(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001271784703 1186481270 /nfs/dbraw/zinc/48/12/70/1186481270.db2.gz NDHLJNRGFMEFMW-KRWDZBQOSA-N 2 2 330.476 2.418 10 30 EEEELP C[C@H](CC[NH2+]Cc1ccc(F)c(C#N)c1)NC(=O)CCc1c[nH]c[nH+]1 ZINC001482839188 1187758606 /nfs/dbraw/zinc/75/86/06/1187758606.db2.gz JKKIXMZKJJATSV-CYBMUJFWSA-N 2 2 343.406 2.038 10 30 EEEELP C[C@H](CC[NH2+]Cc1ccc(F)c(C#N)c1)NC(=O)CCc1c[nH+]c[nH]1 ZINC001482839188 1187758610 /nfs/dbraw/zinc/75/86/10/1187758610.db2.gz JKKIXMZKJJATSV-CYBMUJFWSA-N 2 2 343.406 2.038 10 30 EEEELP C[C@@H](CN(C)C(=O)C[C@H](C)n1cc[nH+]c1)[NH2+]Cc1ccc(C#N)cc1 ZINC001485927788 1193643229 /nfs/dbraw/zinc/64/32/29/1193643229.db2.gz CUJZMFKNTQTKBD-HOTGVXAUSA-N 2 2 339.443 2.343 10 30 EEEELP C#CCN(C(=O)[C@H](C)Cc1c[nH]c[nH+]1)C1CC[NH+](CC2CCC2)CC1 ZINC001483988302 1191143904 /nfs/dbraw/zinc/14/39/04/1191143904.db2.gz WEYSQKLKPCEGKX-MRXNPFEDSA-N 2 2 342.487 2.315 10 30 EEEELP C#CCN(C(=O)[C@H](C)Cc1c[nH+]c[nH]1)C1CC[NH+](CC2CCC2)CC1 ZINC001483988302 1191143906 /nfs/dbraw/zinc/14/39/06/1191143906.db2.gz WEYSQKLKPCEGKX-MRXNPFEDSA-N 2 2 342.487 2.315 10 30 EEEELP C=CCC[NH2+]C[C@@H](NC(=O)[C@H]1CCn2cc[nH+]c2C1)C1CCCC1 ZINC001484003294 1191151938 /nfs/dbraw/zinc/15/19/38/1191151938.db2.gz RXXNOXITNGRWCF-DLBZAZTESA-N 2 2 330.476 2.286 10 30 EEEELP N#Cc1ccc(CONC(=[NH2+])[C@@H]2C[N@H+](Cc3ccccc3)CCO2)o1 ZINC000871740049 1197866606 /nfs/dbraw/zinc/86/66/06/1197866606.db2.gz HKAKSEWGDWVPAT-KRWDZBQOSA-N 2 2 340.383 2.051 10 30 EEEELP N#Cc1ccc(CONC(=[NH2+])[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)o1 ZINC000871740049 1197866620 /nfs/dbraw/zinc/86/66/20/1197866620.db2.gz HKAKSEWGDWVPAT-KRWDZBQOSA-N 2 2 340.383 2.051 10 30 EEEELP C=C(Cl)C[C@H]([NH3+])C(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000876737362 1199748912 /nfs/dbraw/zinc/74/89/12/1199748912.db2.gz RXQIHUJMASVZIP-ZDUSSCGKSA-N 2 2 334.807 2.371 10 30 EEEELP C=C(Br)C[N@H+](C)CCCNC(=O)CC[NH+]1CCCCC1 ZINC001490281960 1291110741 /nfs/dbraw/zinc/11/07/41/1291110741.db2.gz OQPXXXCOJYVHEW-UHFFFAOYSA-N 2 2 346.313 2.209 10 30 EEEELP C=C(Br)C[N@@H+](C)CCCNC(=O)CC[NH+]1CCCCC1 ZINC001490281960 1291110746 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TVHCMSRRUISUPA-IBGZPJMESA-N 2 2 328.460 2.001 10 30 EEEELP CC#CC[N@H+]1CCC[C@]2(CCN(C(=O)CCCn3cc[nH+]c3)C2)C1 ZINC001323816808 1333546277 /nfs/dbraw/zinc/54/62/77/1333546277.db2.gz TVHCMSRRUISUPA-IBGZPJMESA-N 2 2 328.460 2.001 10 30 EEEELP C#CCC[NH2+][C@@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)[C@@H](C)C1 ZINC001324071575 1333601777 /nfs/dbraw/zinc/60/17/77/1333601777.db2.gz GCSNKVXOSLPZQU-FUHWJXTLSA-N 2 2 336.439 2.478 10 30 EEEELP C=CCCC[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC001324212907 1333635796 /nfs/dbraw/zinc/63/57/96/1333635796.db2.gz IMPDYCZFMDLERZ-OALUTQOASA-N 2 2 349.519 2.177 10 30 EEEELP C=CCCC[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC001324212907 1333635798 /nfs/dbraw/zinc/63/57/98/1333635798.db2.gz IMPDYCZFMDLERZ-OALUTQOASA-N 2 2 349.519 2.177 10 30 EEEELP C=C(Cl)C[NH2+]CC[C@@H]1CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001326305441 1334064336 /nfs/dbraw/zinc/06/43/36/1334064336.db2.gz UPINAILPPDGPBO-HUUCEWRRSA-N 2 2 336.867 2.026 10 30 EEEELP C=C(C)CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC001565849313 1342569300 /nfs/dbraw/zinc/56/93/00/1342569300.db2.gz BBTAVDPNQMOCKI-SCTDSRPQSA-N 2 2 349.519 2.080 10 30 EEEELP C=C(C)CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2COCC[N@H+]2C2CCCC2)C1 ZINC001565849313 1342569305 /nfs/dbraw/zinc/56/93/05/1342569305.db2.gz BBTAVDPNQMOCKI-SCTDSRPQSA-N 2 2 349.519 2.080 10 30 EEEELP C=CCC[C@@H](C)[NH2+]C1(CNC(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)CC1 ZINC001569415125 1342867645 /nfs/dbraw/zinc/86/76/45/1342867645.db2.gz YGPQSZZDEHTJET-AEFFLSMTSA-N 2 2 349.519 2.223 10 30 EEEELP C=CCC[C@@H](C)[NH2+]C1(CNC(=O)[C@@H]2COCC[N@H+]2C2CCCC2)CC1 ZINC001569415125 1342867650 /nfs/dbraw/zinc/86/76/50/1342867650.db2.gz YGPQSZZDEHTJET-AEFFLSMTSA-N 2 2 349.519 2.223 10 30 EEEELP C=CCOCC[NH2+]C[C@@H]1CC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001571538855 1343231987 /nfs/dbraw/zinc/23/19/87/1343231987.db2.gz VCBXNJOURHFMLO-ZBFHGGJFSA-N 2 2 342.443 2.254 10 30 EEEELP C#CC[NH2+]CC[C@@H]1[C@H](C)CCCN1C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001649434327 1353501996 /nfs/dbraw/zinc/50/19/96/1353501996.db2.gz XYIUFRRLOZCEAE-SJLPKXTDSA-N 2 2 342.487 2.002 10 30 EEEELP C=CCCC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2COCC[NH+]2C2CCCC2)C1 ZINC001663612981 1355000936 /nfs/dbraw/zinc/00/09/36/1355000936.db2.gz KGXGCIQNDBYEAS-MJGOQNOKSA-N 2 2 349.519 2.034 10 30 EEEELP C=CCCC[N@H+]1CC[C@H](CNC(=O)[C@@H]2COCC[NH+]2C2CCCC2)C1 ZINC001663612981 1355000938 /nfs/dbraw/zinc/00/09/38/1355000938.db2.gz KGXGCIQNDBYEAS-MJGOQNOKSA-N 2 2 349.519 2.034 10 30 EEEELP C=CCCC[NH+]1CC[C@H](CNC(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC001663612981 1355000942 /nfs/dbraw/zinc/00/09/42/1355000942.db2.gz KGXGCIQNDBYEAS-MJGOQNOKSA-N 2 2 349.519 2.034 10 30 EEEELP C=CCCC[NH+]1CC[C@H](CNC(=O)[C@@H]2COCC[N@H+]2C2CCCC2)C1 ZINC001663612981 1355000947 /nfs/dbraw/zinc/00/09/47/1355000947.db2.gz KGXGCIQNDBYEAS-MJGOQNOKSA-N 2 2 349.519 2.034 10 30 EEEELP C=C(C)CC[NH2+]CC[C@H](C)NC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1 ZINC001668064895 1355860236 /nfs/dbraw/zinc/86/02/36/1355860236.db2.gz DPLJLRHUGGBSMQ-YOEHRIQHSA-N 2 2 333.480 2.241 10 30 EEEELP C=C(C)CC[NH2+]CC[C@H](C)NC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1 ZINC001668064895 1355860243 /nfs/dbraw/zinc/86/02/43/1355860243.db2.gz DPLJLRHUGGBSMQ-YOEHRIQHSA-N 2 2 333.480 2.241 10 30 EEEELP CC#CC[NH2+][C@@H]1CCCCCN(C(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001692118937 1404978992 /nfs/dbraw/zinc/97/89/92/1404978992.db2.gz WVMASCLCUGIBBP-QGZVFWFLSA-N 2 2 342.487 2.146 10 30 EEEELP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)C(C)(C)C1 ZINC000940851342 779434082 /nfs/dbraw/zinc/43/40/82/779434082.db2.gz VSXCZJSFSGXJBX-JKSUJKDBSA-N 2 2 330.476 2.238 10 30 EEEELP C=C(C)C[N@H+]1CC[C@@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)C(C)(C)C1 ZINC000940851342 779434087 /nfs/dbraw/zinc/43/40/87/779434087.db2.gz VSXCZJSFSGXJBX-JKSUJKDBSA-N 2 2 330.476 2.238 10 30 EEEELP C=C(Cl)C[NH2+]C[C@](C)(NC(=O)[C@H]1CCc2c[nH+]cn2C1)C1CC1 ZINC001444129236 1098666207 /nfs/dbraw/zinc/66/62/07/1098666207.db2.gz KRKSYEKIIIJULZ-GUYCJALGSA-N 2 2 336.867 2.073 10 30 EEEELP COCC#CC[NH2+][C@H]1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)C[C@H]1C ZINC001496352691 1100946637 /nfs/dbraw/zinc/94/66/37/1100946637.db2.gz VBKIHAZNPMUKOS-QAPCUYQASA-N 2 2 343.471 2.097 10 30 EEEELP C=C(C)CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)C[C@H](C)n1cc[nH+]c1)O2 ZINC001502441714 1113685591 /nfs/dbraw/zinc/68/55/91/1113685591.db2.gz XELFEXOKEGZECL-IRXDYDNUSA-N 2 2 346.475 2.150 10 30 EEEELP C#CC[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)Cc2cn3cccc(C)c3[nH+]2)C1 ZINC001568414587 1124482224 /nfs/dbraw/zinc/48/22/24/1124482224.db2.gz MWFDGOFWMOUBQA-DLBZAZTESA-N 2 2 338.455 2.035 10 30 EEEELP C[C@H]([NH2+]CC(=O)N[C@@](C)(C#N)C1CC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000180671917 464366246 /nfs/dbraw/zinc/36/62/46/464366246.db2.gz GUNQEIVZAFRYGQ-LIRRHRJNSA-N 2 2 337.427 2.331 10 30 EEEELP C=CCC[N@@H+](C)CC(=O)N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000342743047 465345155 /nfs/dbraw/zinc/34/51/55/465345155.db2.gz XNMAQDJCFLFJCW-UHFFFAOYSA-N 2 2 345.491 2.065 10 30 EEEELP C=CCC[N@H+](C)CC(=O)N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000342743047 465345161 /nfs/dbraw/zinc/34/51/61/465345161.db2.gz XNMAQDJCFLFJCW-UHFFFAOYSA-N 2 2 345.491 2.065 10 30 EEEELP C[NH+](C)CCN(Cc1c[nH+]c2ccc(C#N)cn12)Cc1ccccn1 ZINC000349314770 466060155 /nfs/dbraw/zinc/06/01/55/466060155.db2.gz JMINGSHQOUSUMI-UHFFFAOYSA-N 2 2 334.427 2.165 10 30 EEEELP C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CCN(c2cc[nH+]cc2OC)CC1 ZINC000361530314 466079112 /nfs/dbraw/zinc/07/91/12/466079112.db2.gz JANXLJVRAXLNFC-INIZCTEOSA-N 2 2 346.475 2.025 10 30 EEEELP Cn1cc[nH+]c1[C@H](NC(=O)[C@@H]([NH3+])CCCCC#N)c1ccc(F)cc1 ZINC000594440601 468589324 /nfs/dbraw/zinc/58/93/24/468589324.db2.gz GWZJNTYNGJNCFK-JKSUJKDBSA-N 2 2 343.406 2.176 10 30 EEEELP N#CCCCC[C@H]([NH3+])C(=O)NCC[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000594456577 468594552 /nfs/dbraw/zinc/59/45/52/468594552.db2.gz QZZVCYSTACPYST-KRWDZBQOSA-N 2 2 348.878 2.226 10 30 EEEELP N#CCCCC[C@H]([NH3+])C(=O)NCC[N@H+]1CCc2c(Cl)cccc2C1 ZINC000594456577 468594555 /nfs/dbraw/zinc/59/45/55/468594555.db2.gz QZZVCYSTACPYST-KRWDZBQOSA-N 2 2 348.878 2.226 10 30 EEEELP COC(=O)CCC[NH+]1CCC([NH2+]Cc2ccc(CC#N)cc2)CC1 ZINC000592518158 468718631 /nfs/dbraw/zinc/71/86/31/468718631.db2.gz IQWFINDPDNCVQT-UHFFFAOYSA-N 2 2 329.444 2.260 10 30 EEEELP C=CC(C)(C)CCNC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000637322270 470687710 /nfs/dbraw/zinc/68/77/10/470687710.db2.gz VCDQYEBWFQJGDK-KRWDZBQOSA-N 2 2 336.524 2.399 10 30 EEEELP C=CC(C)(C)CCNC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000637322270 470687714 /nfs/dbraw/zinc/68/77/14/470687714.db2.gz VCDQYEBWFQJGDK-KRWDZBQOSA-N 2 2 336.524 2.399 10 30 EEEELP C=CCC[NH2+][C@H](CNC(=O)[C@H]1CCc2c[nH+]cn2C1)c1ccccc1 ZINC001481366286 1181135202 /nfs/dbraw/zinc/13/52/02/1181135202.db2.gz WNFKXCFNZKRZKN-PKOBYXMFSA-N 2 2 338.455 2.469 10 30 EEEELP C#CCC[NH2+][C@@H]1CCN(C(=O)Cc2cn3cccc(C)c3[nH+]2)C[C@@H]1C ZINC001268140288 1181802191 /nfs/dbraw/zinc/80/21/91/1181802191.db2.gz XIPUOKJTJCNLEE-FUHWJXTLSA-N 2 2 338.455 2.035 10 30 EEEELP C[C@H](CC[NH2+]Cc1cccc(C#N)c1)NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001268405745 1182521256 /nfs/dbraw/zinc/52/12/56/1182521256.db2.gz OVOZUFORQDRNGD-LSDHHAIUSA-N 2 2 339.443 2.145 10 30 EEEELP C[C@H](CC[NH2+]Cc1cccc(C#N)c1)NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001268405745 1182521260 /nfs/dbraw/zinc/52/12/60/1182521260.db2.gz OVOZUFORQDRNGD-LSDHHAIUSA-N 2 2 339.443 2.145 10 30 EEEELP C=CCCCCC[NH+]1CC(CNC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001268842811 1183760714 /nfs/dbraw/zinc/76/07/14/1183760714.db2.gz AOFCYZYAWAOVJM-QGZVFWFLSA-N 2 2 330.476 2.240 10 30 EEEELP C#CCC[NH2+]C[C@H](NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1)C1CCCCC1 ZINC001271347846 1186153784 /nfs/dbraw/zinc/15/37/84/1186153784.db2.gz SJEBJIWCDWKFMX-YJBOKZPZSA-N 2 2 330.476 2.266 10 30 EEEELP C#CCC[NH2+]C[C@H](NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1)C1CCCCC1 ZINC001271347846 1186153788 /nfs/dbraw/zinc/15/37/88/1186153788.db2.gz SJEBJIWCDWKFMX-YJBOKZPZSA-N 2 2 330.476 2.266 10 30 EEEELP C=CC[NH2+]CC[C@H]1CCN(C(=O)Cc2cn3cccc(C)c3[nH+]2)C1 ZINC001484542775 1191402887 /nfs/dbraw/zinc/40/28/87/1191402887.db2.gz HLAORHOADDMTCH-INIZCTEOSA-N 2 2 326.444 2.199 10 30 EEEELP C=CCCC[N@H+]1CC[C@H]([C@H]2CCCN(C(=O)Cc3c[nH+]cn3C)C2)C1 ZINC001275183183 1205276666 /nfs/dbraw/zinc/27/66/66/1205276666.db2.gz CPPCTJXZDAIGKU-ROUUACIJSA-N 2 2 344.503 2.489 10 30 EEEELP C=CCCC[N@@H+]1CC[C@H]([C@H]2CCCN(C(=O)Cc3c[nH+]cn3C)C2)C1 ZINC001275183183 1205276669 /nfs/dbraw/zinc/27/66/69/1205276669.db2.gz CPPCTJXZDAIGKU-ROUUACIJSA-N 2 2 344.503 2.489 10 30 EEEELP C[C@@H](C[NH2+]CC#Cc1ccccc1)NC(=O)c1cccc2[nH+]ccn21 ZINC001275232082 1205286620 /nfs/dbraw/zinc/28/66/20/1205286620.db2.gz PWGWPFIVRLIFHF-INIZCTEOSA-N 2 2 332.407 2.094 10 30 EEEELP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CCCC(C)(C)C)[C@@H]1C ZINC001264705134 1322788998 /nfs/dbraw/zinc/78/89/98/1322788998.db2.gz BUNNHPUTLHIDKF-SQNIBIBYSA-N 2 2 333.520 2.489 10 30 EEEELP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CCCC(C)(C)C)[C@@H]1C ZINC001264705134 1322789007 /nfs/dbraw/zinc/78/90/07/1322789007.db2.gz BUNNHPUTLHIDKF-SQNIBIBYSA-N 2 2 333.520 2.489 10 30 EEEELP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCCC(C)(C)C)[C@@H]1C ZINC001264705134 1322789010 /nfs/dbraw/zinc/78/90/10/1322789010.db2.gz BUNNHPUTLHIDKF-SQNIBIBYSA-N 2 2 333.520 2.489 10 30 EEEELP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCCC(C)(C)C)[C@@H]1C ZINC001264705134 1322789015 /nfs/dbraw/zinc/78/90/15/1322789015.db2.gz BUNNHPUTLHIDKF-SQNIBIBYSA-N 2 2 333.520 2.489 10 30 EEEELP C=CCC[N@@H+]1CCC[C@@H]1CCCNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001266223442 1323796422 /nfs/dbraw/zinc/79/64/22/1323796422.db2.gz QHZJVQSBMUNHMZ-SJORKVTESA-N 2 2 330.476 2.382 10 30 EEEELP C=CCC[N@H+]1CCC[C@@H]1CCCNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001266223442 1323796426 /nfs/dbraw/zinc/79/64/26/1323796426.db2.gz QHZJVQSBMUNHMZ-SJORKVTESA-N 2 2 330.476 2.382 10 30 EEEELP C=C(C)CC[NH2+]C[C@H]1CCCCN1C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001280445284 1324230306 /nfs/dbraw/zinc/23/03/06/1324230306.db2.gz RQKKYDUYKWGJHI-DLBZAZTESA-N 2 2 330.476 2.382 10 30 EEEELP CN(C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C1CC([NH2+]CC#Cc2ccccc2)C1 ZINC001284774528 1326707318 /nfs/dbraw/zinc/70/73/18/1326707318.db2.gz WDPIGOVFSFRLTL-CSODTCANSA-N 2 2 348.450 2.144 10 30 EEEELP C=C(C)CC[NH2+][C@@H](C)CCNC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1 ZINC001328344173 1334448115 /nfs/dbraw/zinc/44/81/15/1334448115.db2.gz VTYKJYVYDLULCM-YOEHRIQHSA-N 2 2 333.480 2.241 10 30 EEEELP C=C(C)CC[NH2+][C@@H](C)CCNC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1 ZINC001328344173 1334448117 /nfs/dbraw/zinc/44/81/17/1334448117.db2.gz VTYKJYVYDLULCM-YOEHRIQHSA-N 2 2 333.480 2.241 10 30 EEEELP C=CCCC[NH2+]CC(C)(C)CN(C)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001570676816 1343101472 /nfs/dbraw/zinc/10/14/72/1343101472.db2.gz JJOJTIRSDYMERN-INIZCTEOSA-N 2 2 332.492 2.486 10 30 EEEELP C=C(C)CC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001676228348 1357123963 /nfs/dbraw/zinc/12/39/63/1357123963.db2.gz ODGUSSXBRFKYQE-FUHWJXTLSA-N 2 2 330.476 2.238 10 30 EEEELP CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[NH+]1CCC(c2c[nH+]cn2C)CC1 ZINC001655123997 1354165490 /nfs/dbraw/zinc/16/54/90/1354165490.db2.gz ZRGLCBMFJNLSSW-KSSFIOAISA-N 2 2 331.464 2.042 10 30 EEEELP C#CC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001661066928 1354584725 /nfs/dbraw/zinc/58/47/25/1354584725.db2.gz RPDRZQQDMJNPNB-IAGOWNOFSA-N 2 2 328.460 2.074 10 30 EEEELP C=C(C)CC[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001662844009 1354861211 /nfs/dbraw/zinc/86/12/11/1354861211.db2.gz AJFGAMBVCDVNMA-AEFFLSMTSA-N 2 2 330.476 2.335 10 30 EEEELP C=C(C)CC[N@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001662844009 1354861216 /nfs/dbraw/zinc/86/12/16/1354861216.db2.gz AJFGAMBVCDVNMA-AEFFLSMTSA-N 2 2 330.476 2.335 10 30 EEEELP C[N@@H+](CC#Cc1ccccc1)CCNC(=O)[C@@H]1CC[C@@H]2CCCC[NH+]21 ZINC001663208940 1354935062 /nfs/dbraw/zinc/93/50/62/1354935062.db2.gz BXTHQPVJUUTLRC-PMACEKPBSA-N 2 2 339.483 2.103 10 30 EEEELP C[N@H+](CC#Cc1ccccc1)CCNC(=O)[C@@H]1CC[C@@H]2CCCC[NH+]21 ZINC001663208940 1354935063 /nfs/dbraw/zinc/93/50/63/1354935063.db2.gz BXTHQPVJUUTLRC-PMACEKPBSA-N 2 2 339.483 2.103 10 30 EEEELP C[NH+](CC#Cc1ccccc1)CCNC(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001663208940 1354935068 /nfs/dbraw/zinc/93/50/68/1354935068.db2.gz BXTHQPVJUUTLRC-PMACEKPBSA-N 2 2 339.483 2.103 10 30 EEEELP C[NH+](CC#Cc1ccccc1)CCNC(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC001663208940 1354935071 /nfs/dbraw/zinc/93/50/71/1354935071.db2.gz BXTHQPVJUUTLRC-PMACEKPBSA-N 2 2 339.483 2.103 10 30 EEEELP C=CCC[NH2+]C1(CNC(=O)c2ccn3c(C)c[nH+]c3c2)CCOCC1 ZINC001671934768 1356441231 /nfs/dbraw/zinc/44/12/31/1356441231.db2.gz HBSQVRVTXWOFQW-UHFFFAOYSA-N 2 2 342.443 2.087 10 30 EEEELP C=C(C)CC[NH2+]C[C@H]1CN(C(=O)c2ccn3c(C)c[nH+]c3c2)CCO1 ZINC001673273862 1356660278 /nfs/dbraw/zinc/66/02/78/1356660278.db2.gz JARGQLCXCBXSBN-KRWDZBQOSA-N 2 2 342.443 2.040 10 30 EEEELP C=CCC[N@H+]1CCC[C@](C)(CNC(=O)Cc2c[nH+]ccc2OC)C1 ZINC001699869901 1405535988 /nfs/dbraw/zinc/53/59/88/1405535988.db2.gz VJBAUFBOHVNABE-LJQANCHMSA-N 2 2 331.460 2.427 10 30 EEEELP C=CCC[N@@H+]1CCC[C@](C)(CNC(=O)Cc2c[nH+]ccc2OC)C1 ZINC001699869901 1405535991 /nfs/dbraw/zinc/53/59/91/1405535991.db2.gz VJBAUFBOHVNABE-LJQANCHMSA-N 2 2 331.460 2.427 10 30 EEEELP C=CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCc3[nH+]ccn3C2)C(C)(C)C1 ZINC000940851639 779434523 /nfs/dbraw/zinc/43/45/23/779434523.db2.gz ZYAFQAJYGZILHJ-CVEARBPZSA-N 2 2 330.476 2.238 10 30 EEEELP C=CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCc3[nH+]ccn3C2)C(C)(C)C1 ZINC000940851639 779434529 /nfs/dbraw/zinc/43/45/29/779434529.db2.gz ZYAFQAJYGZILHJ-CVEARBPZSA-N 2 2 330.476 2.238 10 30 EEEELP C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001443842285 1098356509 /nfs/dbraw/zinc/35/65/09/1098356509.db2.gz KGWDARPRDMGQHP-JKSUJKDBSA-N 2 2 327.900 2.392 10 30 EEEELP C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001443842285 1098356516 /nfs/dbraw/zinc/35/65/16/1098356516.db2.gz KGWDARPRDMGQHP-JKSUJKDBSA-N 2 2 327.900 2.392 10 30 EEEELP C=C(C)CC[N@@H+]1CC[C@H](CCNC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001494028217 1103382903 /nfs/dbraw/zinc/38/29/03/1103382903.db2.gz APEZVBCIWOALQV-IRXDYDNUSA-N 2 2 330.476 2.240 10 30 EEEELP C=C(C)CC[N@H+]1CC[C@H](CCNC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001494028217 1103382918 /nfs/dbraw/zinc/38/29/18/1103382918.db2.gz APEZVBCIWOALQV-IRXDYDNUSA-N 2 2 330.476 2.240 10 30 EEEELP C[N@H+](CC(=O)NCC1C[NH+](CC#Cc2ccccc2)C1)CC(C)(C)C ZINC001494594054 1104180987 /nfs/dbraw/zinc/18/09/87/1104180987.db2.gz PFEZQKXFNIUONC-UHFFFAOYSA-N 2 2 341.499 2.064 10 30 EEEELP C[N@@H+](CC(=O)NCC1C[NH+](CC#Cc2ccccc2)C1)CC(C)(C)C ZINC001494594054 1104180992 /nfs/dbraw/zinc/18/09/92/1104180992.db2.gz PFEZQKXFNIUONC-UHFFFAOYSA-N 2 2 341.499 2.064 10 30 EEEELP CC#CC[NH+]1CCC2(CN(C(=O)[C@@H](CC(C)C)n3cc[nH+]c3)C2)CC1 ZINC001501736925 1113455904 /nfs/dbraw/zinc/45/59/04/1113455904.db2.gz ICGRSXYXMPXPSV-GOSISDBHSA-N 2 2 342.487 2.418 10 30 EEEELP C=CCCC[N@H+]1CCC[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)[C@@H]1C ZINC001507377025 1115236412 /nfs/dbraw/zinc/23/64/12/1115236412.db2.gz RNOGHJXZGNCGTB-GOEBONIOSA-N 2 2 334.464 2.285 10 30 EEEELP C=CCCC[N@@H+]1CCC[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)[C@@H]1C ZINC001507377025 1115236415 /nfs/dbraw/zinc/23/64/15/1115236415.db2.gz RNOGHJXZGNCGTB-GOEBONIOSA-N 2 2 334.464 2.285 10 30 EEEELP C[NH+]1CCC(CNc2ncc(C#N)cc2F)([NH+]2CCCCC2)CC1 ZINC000413173438 267331182 /nfs/dbraw/zinc/33/11/82/267331182.db2.gz PAGUEEPZQJUUAU-UHFFFAOYSA-N 2 2 331.439 2.455 10 30 EEEELP C[NH+]1CCN([C@H]2CCCC[N@H+](Cc3ccc(F)cc3C#N)C2)CC1 ZINC000158995978 463263235 /nfs/dbraw/zinc/26/32/35/463263235.db2.gz MGRIEGFIOMIZFO-IBGZPJMESA-N 2 2 330.451 2.299 10 30 EEEELP C[NH+]1CCN([C@@H]2CCCC[N@H+](Cc3ccc(F)c(C#N)c3)C2)CC1 ZINC000182892001 464750856 /nfs/dbraw/zinc/75/08/56/464750856.db2.gz AECUOBHLEFZEJN-GOSISDBHSA-N 2 2 330.451 2.299 10 30 EEEELP N#CCCCC[C@H]([NH3+])C(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000594440271 468588943 /nfs/dbraw/zinc/58/89/43/468588943.db2.gz BJMLPLRYKHOVJE-INIZCTEOSA-N 2 2 329.448 2.099 10 30 EEEELP CC[C@H](C[NH2+]C[C@H](O)CC1(C#N)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000600715793 468631103 /nfs/dbraw/zinc/63/11/03/468631103.db2.gz CQCOPRWEWQWRFW-RTBURBONSA-N 2 2 327.472 2.468 10 30 EEEELP CC[C@H](C[NH2+]C[C@H](O)CC1(C#N)CC1)[N@H+]1CCc2ccccc2C1 ZINC000600715793 468631109 /nfs/dbraw/zinc/63/11/09/468631109.db2.gz CQCOPRWEWQWRFW-RTBURBONSA-N 2 2 327.472 2.468 10 30 EEEELP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=S)Nc3ccccc3C#N)C2)CC1 ZINC000732722316 577190097 /nfs/dbraw/zinc/19/00/97/577190097.db2.gz ZJHBXVKAEKLEHZ-OAHLLOKOSA-N 2 2 343.500 2.013 10 30 EEEELP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=S)Nc3ccccc3C#N)C2)CC1 ZINC000732722316 577190099 /nfs/dbraw/zinc/19/00/99/577190099.db2.gz ZJHBXVKAEKLEHZ-OAHLLOKOSA-N 2 2 343.500 2.013 10 30 EEEELP CC[C@H]([NH2+]C[C@H](C)CN1CC[NH+](C)CC1)c1cccc(C#N)c1O ZINC000924947917 681819571 /nfs/dbraw/zinc/81/95/71/681819571.db2.gz DSNNEQGPVKSDDV-YJBOKZPZSA-N 2 2 330.476 2.188 10 30 EEEELP C#CC[NH+]1C[C@H](NC(=O)[C@H](c2ccccc2)[N@@H+](C)CC)C(C)(C)C1 ZINC001485582883 1191849233 /nfs/dbraw/zinc/84/92/33/1191849233.db2.gz VMQJWOYCAXBXOD-ROUUACIJSA-N 2 2 327.472 2.139 10 30 EEEELP C#CC[NH+]1C[C@H](NC(=O)[C@H](c2ccccc2)[N@H+](C)CC)C(C)(C)C1 ZINC001485582883 1191849234 /nfs/dbraw/zinc/84/92/34/1191849234.db2.gz VMQJWOYCAXBXOD-ROUUACIJSA-N 2 2 327.472 2.139 10 30 EEEELP C#CC[N@H+]1C[C@H](NC(=O)[C@H](c2ccccc2)[NH+](C)CC)C(C)(C)C1 ZINC001485582883 1191849236 /nfs/dbraw/zinc/84/92/36/1191849236.db2.gz VMQJWOYCAXBXOD-ROUUACIJSA-N 2 2 327.472 2.139 10 30 EEEELP C#CC[N@@H+]1C[C@H](NC(=O)[C@H](c2ccccc2)[NH+](C)CC)C(C)(C)C1 ZINC001485582883 1191849238 /nfs/dbraw/zinc/84/92/38/1191849238.db2.gz VMQJWOYCAXBXOD-ROUUACIJSA-N 2 2 327.472 2.139 10 30 EEEELP CN(CC[NH2+]Cc1cccc(C#N)c1)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001266742812 1177334709 /nfs/dbraw/zinc/33/47/09/1177334709.db2.gz AXVWNCLFRGQMJM-UHFFFAOYSA-N 2 2 333.395 2.296 10 30 EEEELP CC#CC[N@H+](C)C[C@@H]1CCCCN1C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001691784582 1177915106 /nfs/dbraw/zinc/91/51/06/1177915106.db2.gz HNHSCRSKZGYZLJ-SFHVURJKSA-N 2 2 342.487 2.098 10 30 EEEELP CC#CC[N@@H+](C)C[C@@H]1CCCCN1C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001691784582 1177915114 /nfs/dbraw/zinc/91/51/14/1177915114.db2.gz HNHSCRSKZGYZLJ-SFHVURJKSA-N 2 2 342.487 2.098 10 30 EEEELP C=CCC[N@@H+](C)CC1CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC001481516070 1181621894 /nfs/dbraw/zinc/62/18/94/1181621894.db2.gz LRVWKDMDKLHLGO-KRWDZBQOSA-N 2 2 330.476 2.192 10 30 EEEELP C=CCC[N@H+](C)CC1CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC001481516070 1181621898 /nfs/dbraw/zinc/62/18/98/1181621898.db2.gz LRVWKDMDKLHLGO-KRWDZBQOSA-N 2 2 330.476 2.192 10 30 EEEELP C=CC[NH2+]C[C@@H](NC(=O)[C@H]1CCc2c[nH+]cn2C1)C1CCCCC1 ZINC001268121163 1181767709 /nfs/dbraw/zinc/76/77/09/1181767709.db2.gz ZFBWXTKJFCEPCV-FUHWJXTLSA-N 2 2 330.476 2.286 10 30 EEEELP 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C=CCOCC[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001566122076 1125569777 /nfs/dbraw/zinc/56/97/77/1125569777.db2.gz IPRZMYRJBPWCCE-GVDBMIGSSA-N 2 2 346.475 2.029 10 30 EEEELP Cc1cn(C(C)(C)C(=O)N[C@H](C)C[NH2+]Cc2ccccc2C#N)c[nH+]1 ZINC001439130567 1091775350 /nfs/dbraw/zinc/77/53/50/1091775350.db2.gz LUQSLJLERMYKBJ-CQSZACIVSA-N 2 2 339.443 2.093 10 30 EEEELP C[C@@H](CN(C)C(=O)C[C@H](C)n1cc[nH+]c1)[NH2+]Cc1ccc(C#N)s1 ZINC001448728278 1093799809 /nfs/dbraw/zinc/79/98/09/1093799809.db2.gz HORGYSVRPLGBJA-KBPBESRZSA-N 2 2 345.472 2.404 10 30 EEEELP C=C(Cl)C[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001441442147 1095064901 /nfs/dbraw/zinc/06/49/01/1095064901.db2.gz QVPZSMLUXGJGTP-GJZGRUSLSA-N 2 2 336.867 2.025 10 30 EEEELP C=C(C)C[N@@H+]1CCCC[C@H]1CNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001480317739 1100053782 /nfs/dbraw/zinc/05/37/82/1100053782.db2.gz WLIFSGSMQMAWRE-KRWDZBQOSA-N 2 2 330.476 2.309 10 30 EEEELP C=C(C)C[N@H+]1CCCC[C@H]1CNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001480317739 1100053788 /nfs/dbraw/zinc/05/37/88/1100053788.db2.gz WLIFSGSMQMAWRE-KRWDZBQOSA-N 2 2 330.476 2.309 10 30 EEEELP C#CCC[NH2+]C[C@H](CC(C)C)NC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC001496297658 1100883674 /nfs/dbraw/zinc/88/36/74/1100883674.db2.gz WLMPHYWLMTXJRB-KRWDZBQOSA-N 2 2 340.471 2.329 10 30 EEEELP C=C(C)C[NH2+][C@H]1C[C@@H](CNC(=O)Cc2cn3cccc(C)c3[nH+]2)C1 ZINC001479331396 1110682514 /nfs/dbraw/zinc/68/25/14/1110682514.db2.gz SXGCXJZNTOSLNG-IYBDPMFKSA-N 2 2 326.444 2.246 10 30 EEEELP C#CCN(C(=O)c1ccn2c(C)c[nH+]c2c1)C1CC[NH+](CC=C)CC1 ZINC001500037467 1112588118 /nfs/dbraw/zinc/58/81/18/1112588118.db2.gz HNYPQQVGXJLQPS-UHFFFAOYSA-N 2 2 336.439 2.369 10 30 EEEELP C=CC[NH2+]CCN(Cc1ccccc1)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001501196101 1113237459 /nfs/dbraw/zinc/23/74/59/1113237459.db2.gz QBZXXMSBTPRQSK-SFHVURJKSA-N 2 2 338.455 2.250 10 30 EEEELP CC[C@@H](CNC(=O)Cn1cc[nH+]c1)[NH2+]CC#Cc1cccc(Cl)c1 ZINC001567990331 1124219354 /nfs/dbraw/zinc/21/93/54/1124219354.db2.gz FJHOIBYBYZOBHJ-KRWDZBQOSA-N 2 2 344.846 2.073 10 30 EEEELP CC#CC[NH+]1CC2(C1)CCN(C(=O)[C@H](CC(C)C)n1cc[nH+]c1)CC2 ZINC001568250469 1124386001 /nfs/dbraw/zinc/38/60/01/1124386001.db2.gz IFNVCPGHCWGFCI-SFHVURJKSA-N 2 2 342.487 2.418 10 30 EEEELP C=CCCC[N@H+]1CC[C@@H]2CN(C(=O)CCc3c[nH+]cn3C)CC[C@@H]21 ZINC001568514833 1124576724 /nfs/dbraw/zinc/57/67/24/1124576724.db2.gz CLKKKYBQAJXTDO-AEFFLSMTSA-N 2 2 330.476 2.242 10 30 EEEELP C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)CCc3c[nH+]cn3C)CC[C@@H]21 ZINC001568514833 1124576733 /nfs/dbraw/zinc/57/67/33/1124576733.db2.gz CLKKKYBQAJXTDO-AEFFLSMTSA-N 2 2 330.476 2.242 10 30 EEEELP CC[NH+]1CCN(C([O-])=[NH+][C@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)CC1 ZINC000329311837 539770872 /nfs/dbraw/zinc/77/08/72/539770872.db2.gz ZUGDAYGLQOKMQT-AWEZNQCLSA-N 2 2 333.480 2.047 10 30 EEEELP C[C@@H]([NH2+][C@H]1CCCN(Cc2[nH+]ccn2C)C1=O)c1cccc(C#N)c1 ZINC000544016153 318178648 /nfs/dbraw/zinc/17/86/48/318178648.db2.gz WNWRKLOAUIWUGQ-PBHICJAKSA-N 2 2 337.427 2.134 10 30 EEEELP N#Cc1csc(C[NH2+]Cc2ccccc2C[NH+]2CCC(O)CC2)n1 ZINC000566532779 319297267 /nfs/dbraw/zinc/29/72/67/319297267.db2.gz YGYBMMAJXNFGTF-UHFFFAOYSA-N 2 2 342.468 2.261 10 30 EEEELP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NC[C@H]1CCCn2cc[nH+]c21 ZINC000328616772 465072453 /nfs/dbraw/zinc/07/24/53/465072453.db2.gz SVRWMKSEZXQOLS-BZUAXINKSA-N 2 2 331.464 2.233 10 30 EEEELP CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NC[C@H]1CCCn2cc[nH+]c21 ZINC000328616772 465072458 /nfs/dbraw/zinc/07/24/58/465072458.db2.gz SVRWMKSEZXQOLS-BZUAXINKSA-N 2 2 331.464 2.233 10 30 EEEELP C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193642283 463723790 /nfs/dbraw/zinc/72/37/90/463723790.db2.gz CUYOBRFQLZSBSR-HRCADAONSA-N 2 2 333.501 2.145 10 30 EEEELP C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193642283 463723797 /nfs/dbraw/zinc/72/37/97/463723797.db2.gz CUYOBRFQLZSBSR-HRCADAONSA-N 2 2 333.501 2.145 10 30 EEEELP C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000193642283 463723803 /nfs/dbraw/zinc/72/38/03/463723803.db2.gz CUYOBRFQLZSBSR-HRCADAONSA-N 2 2 333.501 2.145 10 30 EEEELP C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000193642283 463723807 /nfs/dbraw/zinc/72/38/07/463723807.db2.gz CUYOBRFQLZSBSR-HRCADAONSA-N 2 2 333.501 2.145 10 30 EEEELP C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000249865107 464920339 /nfs/dbraw/zinc/92/03/39/464920339.db2.gz HTAIYYUDIKBBMD-IRXDYDNUSA-N 2 2 328.460 2.405 10 30 EEEELP C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000249865107 464920343 /nfs/dbraw/zinc/92/03/43/464920343.db2.gz HTAIYYUDIKBBMD-IRXDYDNUSA-N 2 2 328.460 2.405 10 30 EEEELP C=CC[N@@H+](CCOC)CC(=O)N1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000361998041 466472083 /nfs/dbraw/zinc/47/20/83/466472083.db2.gz ZZZAYGXRVOSISM-GOSISDBHSA-N 2 2 345.487 2.026 10 30 EEEELP C=CC[N@H+](CCOC)CC(=O)N1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000361998041 466472093 /nfs/dbraw/zinc/47/20/93/466472093.db2.gz ZZZAYGXRVOSISM-GOSISDBHSA-N 2 2 345.487 2.026 10 30 EEEELP N#CC1(C[C@@H](O)C[NH2+]C2CC[NH+](Cc3ccc(F)cc3)CC2)CC1 ZINC000600718260 468633295 /nfs/dbraw/zinc/63/32/95/468633295.db2.gz WQBBNVCMZJVVID-GOSISDBHSA-N 2 2 331.435 2.434 10 30 EEEELP N#Cc1ccc(C[NH+]2CCC([NH2+][C@@H]3C[C@H](O)C34CCC4)CC2)cc1 ZINC000594990341 468739340 /nfs/dbraw/zinc/73/93/40/468739340.db2.gz XJGPQMXJCSDWMP-MOPGFXCFSA-N 2 2 325.456 2.416 10 30 EEEELP C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CCC(CC)([NH+]2CCOCC2)CC1 ZINC000626087342 469497998 /nfs/dbraw/zinc/49/79/98/469497998.db2.gz KQWDUEQSBFXHCA-SFHVURJKSA-N 2 2 349.519 2.152 10 30 EEEELP C[C@H]1C[NH+](CC#CC[N@H+]2C[C@H](C)OCC23CCC3)C2(CCC2)CO1 ZINC000649821559 470708762 /nfs/dbraw/zinc/70/87/62/470708762.db2.gz KWQQTIJBEVKIAW-ROUUACIJSA-N 2 2 332.488 2.277 10 30 EEEELP C[C@H]1C[NH+](CC#CC[N@@H+]2C[C@H](C)OCC23CCC3)C2(CCC2)CO1 ZINC000649821559 470708765 /nfs/dbraw/zinc/70/87/65/470708765.db2.gz KWQQTIJBEVKIAW-ROUUACIJSA-N 2 2 332.488 2.277 10 30 EEEELP C=C(Cl)C[NH2+]CCC1CCN(C(=O)CCc2c[nH+]cn2C)CC1 ZINC001482006673 1183128520 /nfs/dbraw/zinc/12/85/20/1183128520.db2.gz GQQMIZIXQNGSJA-UHFFFAOYSA-N 2 2 338.883 2.324 10 30 EEEELP C[C@@H](C[NH2+]CC#Cc1ccccc1)N(C)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001482336924 1185431968 /nfs/dbraw/zinc/43/19/68/1185431968.db2.gz FQSCPXBQOOHYJF-ROUUACIJSA-N 2 2 338.455 2.322 10 30 EEEELP C[C@H](CC(=O)N(C)[C@@H](C)C[NH2+]Cc1ccc(C#N)cc1)n1cc[nH+]c1 ZINC001482339006 1185436636 /nfs/dbraw/zinc/43/66/36/1185436636.db2.gz RXQJVSUVOCZUFL-CVEARBPZSA-N 2 2 339.443 2.343 10 30 EEEELP C=C(C)C[NH+]1CCC([NH2+]Cc2cn(C)nc2C2CCOCC2)CC1 ZINC001649111974 1193520129 /nfs/dbraw/zinc/52/01/29/1193520129.db2.gz HZJXDSNURWMBPV-UHFFFAOYSA-N 2 2 332.492 2.444 10 30 EEEELP C#CC[NH+]1CCC2(CCN(C(=O)[C@H](CC(C)C)n3cc[nH+]c3)C2)CC1 ZINC001671054730 1193604526 /nfs/dbraw/zinc/60/45/26/1193604526.db2.gz CZBBEVCIBWQJDR-SFHVURJKSA-N 2 2 342.487 2.418 10 30 EEEELP C=C(C)CC[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001485064112 1191633862 /nfs/dbraw/zinc/63/38/62/1191633862.db2.gz YZRZZDRTCLYNGS-SJORKVTESA-N 2 2 330.476 2.335 10 30 EEEELP C=C(C)CC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001485064112 1191633863 /nfs/dbraw/zinc/63/38/63/1191633863.db2.gz YZRZZDRTCLYNGS-SJORKVTESA-N 2 2 330.476 2.335 10 30 EEEELP C=CCCC[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001485064156 1191633986 /nfs/dbraw/zinc/63/39/86/1191633986.db2.gz ZTBGGPNGUQFLFQ-SJORKVTESA-N 2 2 330.476 2.335 10 30 EEEELP C=CCCC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001485064156 1191633988 /nfs/dbraw/zinc/63/39/88/1191633988.db2.gz ZTBGGPNGUQFLFQ-SJORKVTESA-N 2 2 330.476 2.335 10 30 EEEELP CC(C)[N@H+](C)CC(=O)N[C@@H]1CCC[NH+](Cc2ccccc2C#N)[C@H]1C ZINC001486185548 1193725695 /nfs/dbraw/zinc/72/56/95/1193725695.db2.gz BQENDMOAVNWNAX-QFBILLFUSA-N 2 2 342.487 2.368 10 30 EEEELP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CCC[NH+](Cc2ccccc2C#N)[C@H]1C ZINC001486185548 1193725699 /nfs/dbraw/zinc/72/56/99/1193725699.db2.gz BQENDMOAVNWNAX-QFBILLFUSA-N 2 2 342.487 2.368 10 30 EEEELP CC(C)[NH+](C)CC(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2C#N)[C@H]1C ZINC001486185548 1193725702 /nfs/dbraw/zinc/72/57/02/1193725702.db2.gz BQENDMOAVNWNAX-QFBILLFUSA-N 2 2 342.487 2.368 10 30 EEEELP CC(C)[NH+](C)CC(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2C#N)[C@H]1C ZINC001486185548 1193725706 /nfs/dbraw/zinc/72/57/06/1193725706.db2.gz BQENDMOAVNWNAX-QFBILLFUSA-N 2 2 342.487 2.368 10 30 EEEELP C#C[C@H]1CC[C@H](NC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)CC1 ZINC000872875415 1198426947 /nfs/dbraw/zinc/42/69/47/1198426947.db2.gz YVTJYLJGNWXWJH-QAQDUYKDSA-N 2 2 346.519 2.036 10 30 EEEELP C#CC[NH+]1Cc2ccc(CNC(=O)C[N@H+]3[C@H](C)CC[C@@H]3C)cc2C1 ZINC001274044989 1204343801 /nfs/dbraw/zinc/34/38/01/1204343801.db2.gz CQWZSOOSKTXHQQ-IYBDPMFKSA-N 2 2 325.456 2.124 10 30 EEEELP C#CC[NH+]1Cc2ccc(CNC(=O)C[N@@H+]3[C@H](C)CC[C@@H]3C)cc2C1 ZINC001274044989 1204343802 /nfs/dbraw/zinc/34/38/02/1204343802.db2.gz CQWZSOOSKTXHQQ-IYBDPMFKSA-N 2 2 325.456 2.124 10 30 EEEELP C#CC[N@H+]1Cc2ccc(CNC(=O)C[NH+]3[C@H](C)CC[C@@H]3C)cc2C1 ZINC001274044989 1204343804 /nfs/dbraw/zinc/34/38/04/1204343804.db2.gz CQWZSOOSKTXHQQ-IYBDPMFKSA-N 2 2 325.456 2.124 10 30 EEEELP C#CC[N@@H+]1Cc2ccc(CNC(=O)C[NH+]3[C@H](C)CC[C@@H]3C)cc2C1 ZINC001274044989 1204343805 /nfs/dbraw/zinc/34/38/05/1204343805.db2.gz CQWZSOOSKTXHQQ-IYBDPMFKSA-N 2 2 325.456 2.124 10 30 EEEELP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@]1(C)CCC[NH+]1Cc1ccccc1 ZINC000779095547 1208502332 /nfs/dbraw/zinc/50/23/32/1208502332.db2.gz CKGSAWXQDQNTMM-PZJWPPBQSA-N 2 2 339.483 2.255 10 30 EEEELP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@]1(C)CCC[NH+]1Cc1ccccc1 ZINC000779095547 1208502334 /nfs/dbraw/zinc/50/23/34/1208502334.db2.gz CKGSAWXQDQNTMM-PZJWPPBQSA-N 2 2 339.483 2.255 10 30 EEEELP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000779095547 1208502336 /nfs/dbraw/zinc/50/23/36/1208502336.db2.gz CKGSAWXQDQNTMM-PZJWPPBQSA-N 2 2 339.483 2.255 10 30 EEEELP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000779095547 1208502338 /nfs/dbraw/zinc/50/23/38/1208502338.db2.gz CKGSAWXQDQNTMM-PZJWPPBQSA-N 2 2 339.483 2.255 10 30 EEEELP C#CCOc1ccccc1C[NH+]1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000093147778 1214777822 /nfs/dbraw/zinc/77/78/22/1214777822.db2.gz GXIMDLANTYDFFM-FQEVSTJZSA-N 2 2 341.499 2.301 10 30 EEEELP C#CCOc1ccccc1C[NH+]1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000093147778 1214777826 /nfs/dbraw/zinc/77/78/26/1214777826.db2.gz GXIMDLANTYDFFM-FQEVSTJZSA-N 2 2 341.499 2.301 10 30 EEEELP C#CC[NH+]1CCC(C(=O)NCCC[N@@H+](C)C/C(Cl)=C/Cl)CC1 ZINC001490281751 1291112059 /nfs/dbraw/zinc/11/20/59/1291112059.db2.gz MVODEERCEZGRSC-QINSGFPZSA-N 2 2 346.302 2.089 10 30 EEEELP C#CC[NH+]1CCC(C(=O)NCCC[N@H+](C)C/C(Cl)=C/Cl)CC1 ZINC001490281751 1291112064 /nfs/dbraw/zinc/11/20/64/1291112064.db2.gz MVODEERCEZGRSC-QINSGFPZSA-N 2 2 346.302 2.089 10 30 EEEELP C#CCN(C(=O)c1ccn2c(C)c[nH+]c2c1)C1CC[NH+](CC#CC)CC1 ZINC001278151698 1306113236 /nfs/dbraw/zinc/11/32/36/1306113236.db2.gz UBZLYPFVEGQXBV-UHFFFAOYSA-N 2 2 348.450 2.206 10 30 EEEELP C=CCC[C@H](NC(=O)NCC[NH+]1CCC([NH3+])CC1)c1ccccc1 ZINC001262579777 1322327927 /nfs/dbraw/zinc/32/79/27/1322327927.db2.gz ZJBLNMYIAYWEOQ-SFHVURJKSA-N 2 2 330.476 2.416 10 30 EEEELP CC[C@H](C(=O)N(C)C[C@@H]1CC[N@@H+]1CC#Cc1ccc(F)cc1)[NH+](C)C ZINC001264363609 1322672422 /nfs/dbraw/zinc/67/24/22/1322672422.db2.gz XOZWCRITXIFXAY-RBUKOAKNSA-N 2 2 345.462 2.050 10 30 EEEELP CC[C@H](C(=O)N(C)C[C@@H]1CC[N@H+]1CC#Cc1ccc(F)cc1)[NH+](C)C ZINC001264363609 1322672437 /nfs/dbraw/zinc/67/24/37/1322672437.db2.gz XOZWCRITXIFXAY-RBUKOAKNSA-N 2 2 345.462 2.050 10 30 EEEELP C=C(C)CC[NH2+][C@H]1CCN(C(=O)Cc2cn3cccc(C)c3[nH+]2)C1 ZINC001317063997 1332066406 /nfs/dbraw/zinc/06/64/06/1332066406.db2.gz IZJWQILMYGZMJU-INIZCTEOSA-N 2 2 326.444 2.342 10 30 EEEELP C#CCC[N@@H+](CCCNC(=O)Cc1cn2c([nH+]1)CCCC2)C(C)C ZINC001317685850 1332372449 /nfs/dbraw/zinc/37/24/49/1332372449.db2.gz DZPIFTWCNXIPCC-UHFFFAOYSA-N 2 2 330.476 2.002 10 30 EEEELP C#CCC[N@H+](CCCNC(=O)Cc1cn2c([nH+]1)CCCC2)C(C)C ZINC001317685850 1332372450 /nfs/dbraw/zinc/37/24/50/1332372450.db2.gz DZPIFTWCNXIPCC-UHFFFAOYSA-N 2 2 330.476 2.002 10 30 EEEELP C=CC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC001320168619 1332841890 /nfs/dbraw/zinc/84/18/90/1332841890.db2.gz DXPYIKVRQUYZNK-DOTOQJQBSA-N 2 2 326.444 2.246 10 30 EEEELP C[C@H](CC[NH2+]CC#Cc1ccccc1)NC(=O)CCCn1cc[nH+]c1 ZINC001320653077 1332930209 /nfs/dbraw/zinc/93/02/09/1332930209.db2.gz RXTIMPCRXKXEGM-GOSISDBHSA-N 2 2 338.455 2.199 10 30 EEEELP CC#CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001327504773 1334303460 /nfs/dbraw/zinc/30/34/60/1334303460.db2.gz ADWXYVULZNIXOF-LJQANCHMSA-N 2 2 339.483 2.037 10 30 EEEELP CC#CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001327504773 1334303463 /nfs/dbraw/zinc/30/34/63/1334303463.db2.gz ADWXYVULZNIXOF-LJQANCHMSA-N 2 2 339.483 2.037 10 30 EEEELP C=CCCC[N@@H+](C)[C@H]1CCCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001567192767 1342708840 /nfs/dbraw/zinc/70/88/40/1342708840.db2.gz GPUOKPVZXCLWTA-IRXDYDNUSA-N 2 2 330.476 2.335 10 30 EEEELP C=CCCC[N@H+](C)[C@H]1CCCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001567192767 1342708843 /nfs/dbraw/zinc/70/88/43/1342708843.db2.gz GPUOKPVZXCLWTA-IRXDYDNUSA-N 2 2 330.476 2.335 10 30 EEEELP C#CC[N@H+]1CCC[C@H]1CCCNC(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001567254702 1342722056 /nfs/dbraw/zinc/72/20/56/1342722056.db2.gz PZYBIOGRUCPLTG-QZTJIDSGSA-N 2 2 330.476 2.464 10 30 EEEELP C#CC[N@@H+]1CCC[C@H]1CCCNC(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001567254702 1342722059 /nfs/dbraw/zinc/72/20/59/1342722059.db2.gz PZYBIOGRUCPLTG-QZTJIDSGSA-N 2 2 330.476 2.464 10 30 EEEELP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1([NH2+][C@H](C)c2ccccc2F)CC1 ZINC001569404016 1342864873 /nfs/dbraw/zinc/86/48/73/1342864873.db2.gz ACLDAVUEUYOJCF-QAPCUYQASA-N 2 2 343.446 2.223 10 30 EEEELP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+][C@H](C)c2ccccc2F)CC1 ZINC001569404016 1342864877 /nfs/dbraw/zinc/86/48/77/1342864877.db2.gz ACLDAVUEUYOJCF-QAPCUYQASA-N 2 2 343.446 2.223 10 30 EEEELP C=CCC[NH2+]C[C@H]1C[C@H](NC(=O)Cc2cn3cccc(C)c3[nH+]2)C1 ZINC001571172931 1343165380 /nfs/dbraw/zinc/16/53/80/1343165380.db2.gz FFTUQSBLLXLSKQ-WKILWMFISA-N 2 2 326.444 2.246 10 30 EEEELP C=C(C)CC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001662844010 1354861156 /nfs/dbraw/zinc/86/11/56/1354861156.db2.gz AJFGAMBVCDVNMA-FUHWJXTLSA-N 2 2 330.476 2.335 10 30 EEEELP C=C(C)CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001662844010 1354861162 /nfs/dbraw/zinc/86/11/62/1354861162.db2.gz AJFGAMBVCDVNMA-FUHWJXTLSA-N 2 2 330.476 2.335 10 30 EEEELP C=CCC[C@H](C)[N@@H+]1CC[C@H](CNC(=O)Cc2c[nH+]ccc2OC)C1 ZINC001663598765 1354996489 /nfs/dbraw/zinc/99/64/89/1354996489.db2.gz NZWUBQVSTDNYEE-JKSUJKDBSA-N 2 2 331.460 2.426 10 30 EEEELP C=CCC[C@H](C)[N@H+]1CC[C@H](CNC(=O)Cc2c[nH+]ccc2OC)C1 ZINC001663598765 1354996491 /nfs/dbraw/zinc/99/64/91/1354996491.db2.gz NZWUBQVSTDNYEE-JKSUJKDBSA-N 2 2 331.460 2.426 10 30 EEEELP C=CCCC[NH2+]C[C@]1(C)CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001671753494 1356408244 /nfs/dbraw/zinc/40/82/44/1356408244.db2.gz QLSGFHBJLHGPIF-APWZRJJASA-N 2 2 330.476 2.240 10 30 EEEELP CC#CC[NH2+][C@H]1CCCCCN(C(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001692118936 1404979297 /nfs/dbraw/zinc/97/92/97/1404979297.db2.gz WVMASCLCUGIBBP-KRWDZBQOSA-N 2 2 342.487 2.146 10 30 EEEELP Cc1[nH+]ccn1CCCC(=O)N1CCC([N@H+](CC#N)CC2CC2)CC1 ZINC001699688597 1405441745 /nfs/dbraw/zinc/44/17/45/1405441745.db2.gz GMBDZIGJEFTQON-UHFFFAOYSA-N 2 2 343.475 2.198 10 30 EEEELP Cc1[nH+]ccn1CCCC(=O)N1CCC([N@@H+](CC#N)CC2CC2)CC1 ZINC001699688597 1405441746 /nfs/dbraw/zinc/44/17/46/1405441746.db2.gz GMBDZIGJEFTQON-UHFFFAOYSA-N 2 2 343.475 2.198 10 30 EEEELP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCc3[nH+]ccn3C2)C(C)(C)C1 ZINC000940850959 779432890 /nfs/dbraw/zinc/43/28/90/779432890.db2.gz QYAMWSSKHBLSPQ-HZPDHXFCSA-N 2 2 330.476 2.238 10 30 EEEELP C=C(C)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCc3[nH+]ccn3C2)C(C)(C)C1 ZINC000940850959 779432892 /nfs/dbraw/zinc/43/28/92/779432892.db2.gz QYAMWSSKHBLSPQ-HZPDHXFCSA-N 2 2 330.476 2.238 10 30 EEEELP Cc1cc(CC[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)nn1C ZINC000922685511 801664306 /nfs/dbraw/zinc/66/43/06/801664306.db2.gz ILMQJPBGCCVCJK-UHFFFAOYSA-N 2 2 337.471 2.397 10 30 EEEELP C=CCC[NH2+]C[C@@H]1CCN(C(=O)Cc2cn3cccc(C)c3[nH+]2)C1 ZINC001480673119 1106859125 /nfs/dbraw/zinc/85/91/25/1106859125.db2.gz XLRLWJHRBSUJPR-INIZCTEOSA-N 2 2 326.444 2.199 10 30 EEEELP C=CC[NH2+]C[C@@H](NC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1)C(C)(C)C ZINC001507950449 1115378762 /nfs/dbraw/zinc/37/87/62/1115378762.db2.gz YTAWHYLMAZTYND-JKSUJKDBSA-N 2 2 333.480 2.097 10 30 EEEELP C=CC[NH2+]C[C@@H](NC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1)C(C)(C)C ZINC001507950449 1115378764 /nfs/dbraw/zinc/37/87/64/1115378764.db2.gz YTAWHYLMAZTYND-JKSUJKDBSA-N 2 2 333.480 2.097 10 30 EEEELP C=CCn1c([C@H]2CCCC[NH+]2C)nnc1N1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1 ZINC001520305487 1119144674 /nfs/dbraw/zinc/14/46/74/1119144674.db2.gz MZIIZPNANPPQRM-MDZRGWNJSA-N 2 2 344.507 2.009 10 30 EEEELP C=CCn1c([C@H]2CCCC[NH+]2C)nnc1N1C[C@H]2C[N@H+](C)C[C@@]2(C)C1 ZINC001520305487 1119144675 /nfs/dbraw/zinc/14/46/75/1119144675.db2.gz MZIIZPNANPPQRM-MDZRGWNJSA-N 2 2 344.507 2.009 10 30 EEEELP C=CCn1c([C@H]2CCCC[N@@H+]2C)nnc1N1C[C@H]2C[NH+](C)C[C@@]2(C)C1 ZINC001520305487 1119144677 /nfs/dbraw/zinc/14/46/77/1119144677.db2.gz MZIIZPNANPPQRM-MDZRGWNJSA-N 2 2 344.507 2.009 10 30 EEEELP C=CCn1c([C@H]2CCCC[N@H+]2C)nnc1N1C[C@H]2C[NH+](C)C[C@@]2(C)C1 ZINC001520305487 1119144679 /nfs/dbraw/zinc/14/46/79/1119144679.db2.gz MZIIZPNANPPQRM-MDZRGWNJSA-N 2 2 344.507 2.009 10 30 EEEELP C[C@H](CC(=O)NC[C@H](C)C[NH2+]CC#Cc1ccccc1)n1cc[nH+]c1 ZINC001568197209 1124350135 /nfs/dbraw/zinc/35/01/35/1124350135.db2.gz PANNRUZQRFGILG-QZTJIDSGSA-N 2 2 338.455 2.228 10 30 EEEELP C#CCC[NH2+]C[C@H]1CCCC[C@H]1NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001569163799 1125137954 /nfs/dbraw/zinc/13/79/54/1125137954.db2.gz FOBLSEIRZCDIJD-SJLPKXTDSA-N 2 2 342.487 2.050 10 30 EEEELP C=CCS(=O)(=O)CC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000272883997 464692704 /nfs/dbraw/zinc/69/27/04/464692704.db2.gz RCWLSDVBQFAHDF-WMZOPIPTSA-N 2 2 336.501 2.087 10 30 EEEELP C=CCS(=O)(=O)CC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000272883997 464692712 /nfs/dbraw/zinc/69/27/12/464692712.db2.gz RCWLSDVBQFAHDF-WMZOPIPTSA-N 2 2 336.501 2.087 10 30 EEEELP N#CCCCC[C@H]([NH3+])C(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000594441156 468589692 /nfs/dbraw/zinc/58/96/92/468589692.db2.gz NWSONSAKOLJSBA-HNNXBMFYSA-N 2 2 341.415 2.312 10 30 EEEELP C[NH+]=C(NCC[N@@H+]1CCCC[C@@H]1C)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000261663727 676376496 /nfs/dbraw/zinc/37/64/96/676376496.db2.gz BEAUHQYTDAFAIO-BZSNNMDCSA-N 3 2 346.523 2.216 10 30 EEEELP C[NH+]=C(NCC[N@H+]1CCCC[C@@H]1C)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000261663727 676376497 /nfs/dbraw/zinc/37/64/97/676376497.db2.gz BEAUHQYTDAFAIO-BZSNNMDCSA-N 3 2 346.523 2.216 10 30 EEEELP C#CCC[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001266889464 1177718099 /nfs/dbraw/zinc/71/80/99/1177718099.db2.gz DOZHBJRFXUTPSV-IAGOWNOFSA-N 2 2 342.487 2.002 10 30 EEEELP C#CCC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001266889464 1177718102 /nfs/dbraw/zinc/71/81/02/1177718102.db2.gz DOZHBJRFXUTPSV-IAGOWNOFSA-N 2 2 342.487 2.002 10 30 EEEELP C=CCCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)[C@H]1CC ZINC001691485668 1179469987 /nfs/dbraw/zinc/46/99/87/1179469987.db2.gz NUJVLFJEFCFDET-RYQLBKOJSA-N 2 2 330.476 2.381 10 30 EEEELP C=CCCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)[C@H]1CC ZINC001691485668 1179469990 /nfs/dbraw/zinc/46/99/90/1179469990.db2.gz NUJVLFJEFCFDET-RYQLBKOJSA-N 2 2 330.476 2.381 10 30 EEEELP C=C(C)C[NH+]1CCC(CCNC(=O)[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC001267944776 1180803133 /nfs/dbraw/zinc/80/31/33/1180803133.db2.gz LGKFCNKGBZBFPP-KRWDZBQOSA-N 2 2 330.476 2.240 10 30 EEEELP C=CCC[C@@H](C)[N@@H+]1CCO[C@@H](CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001268024820 1181042899 /nfs/dbraw/zinc/04/28/99/1181042899.db2.gz LQHVAPQEZFNKGI-ZBFHGGJFSA-N 2 2 342.443 2.348 10 30 EEEELP C=CCC[C@@H](C)[N@H+]1CCO[C@@H](CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001268024820 1181042905 /nfs/dbraw/zinc/04/29/05/1181042905.db2.gz LQHVAPQEZFNKGI-ZBFHGGJFSA-N 2 2 342.443 2.348 10 30 EEEELP C[NH+](C)CCCCC(=O)N[C@H]1CC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC001481695553 1182228623 /nfs/dbraw/zinc/22/86/23/1182228623.db2.gz XFFRTZZZNLASQZ-KRWDZBQOSA-N 2 2 346.450 2.120 10 30 EEEELP C[NH+](C)CCCCC(=O)N[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC001481695553 1182228626 /nfs/dbraw/zinc/22/86/26/1182228626.db2.gz XFFRTZZZNLASQZ-KRWDZBQOSA-N 2 2 346.450 2.120 10 30 EEEELP C=C(Cl)C[NH2+]C[C@@H](CC(C)C)NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001482386881 1185587120 /nfs/dbraw/zinc/58/71/20/1185587120.db2.gz JOZSWRMVCPAXLJ-HUUCEWRRSA-N 2 2 338.883 2.319 10 30 EEEELP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@H](C)[N@H+](C)Cc1cccc(C#N)c1 ZINC001409660154 1190157967 /nfs/dbraw/zinc/15/79/67/1190157967.db2.gz PGYIHDXBIGDUHT-CABCVRRESA-N 2 2 339.443 2.097 10 30 EEEELP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@H](C)[N@@H+](C)Cc1cccc(C#N)c1 ZINC001409660154 1190157970 /nfs/dbraw/zinc/15/79/70/1190157970.db2.gz PGYIHDXBIGDUHT-CABCVRRESA-N 2 2 339.443 2.097 10 30 EEEELP CC#CC[N@H+](CCNC(=O)Cc1c[nH+]cn1C)C1CCCCCC1 ZINC001483813724 1191058585 /nfs/dbraw/zinc/05/85/85/1191058585.db2.gz ZADWVJSVBDBKBT-UHFFFAOYSA-N 2 2 330.476 2.127 10 30 EEEELP CC#CC[N@@H+](CCNC(=O)Cc1c[nH+]cn1C)C1CCCCCC1 ZINC001483813724 1191058589 /nfs/dbraw/zinc/05/85/89/1191058589.db2.gz ZADWVJSVBDBKBT-UHFFFAOYSA-N 2 2 330.476 2.127 10 30 EEEELP C=CC[NH2+][C@@H](CNC(=O)Cc1[nH]c[nH+]c1C)c1ccccc1CC ZINC001484323041 1191304631 /nfs/dbraw/zinc/30/46/31/1191304631.db2.gz JPZCUZHFLVJGOV-SFHVURJKSA-N 2 2 326.444 2.456 10 30 EEEELP C=CCCC[NH2+]C1(C)CCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC001484919201 1191575303 /nfs/dbraw/zinc/57/53/03/1191575303.db2.gz SHEZVRUHKWGMCS-INIZCTEOSA-N 2 2 330.476 2.382 10 30 EEEELP C#CC[N@H+]1CCC[C@@H](C2CCN(C(=O)CCCn3cc[nH+]c3)CC2)C1 ZINC001275189809 1205277713 /nfs/dbraw/zinc/27/77/13/1205277713.db2.gz AKTCTCBGVQLWDX-LJQANCHMSA-N 2 2 342.487 2.247 10 30 EEEELP C#CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)CCCn3cc[nH+]c3)CC2)C1 ZINC001275189809 1205277716 /nfs/dbraw/zinc/27/77/16/1205277716.db2.gz AKTCTCBGVQLWDX-LJQANCHMSA-N 2 2 342.487 2.247 10 30 EEEELP COc1cc(C#N)ccc1OCC[NH+]1C[C@@]2(C)C[NH+](C)C[C@]2(C)C1 ZINC000931312411 1206624192 /nfs/dbraw/zinc/62/41/92/1206624192.db2.gz XFBHAAYDCZNNBF-RTBURBONSA-N 2 2 329.444 2.219 10 30 EEEELP C=C(CC[NH+](C)C)C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000901275232 1235466065 /nfs/dbraw/zinc/46/60/65/1235466065.db2.gz YAARRGXQBFNBTR-IRXDYDNUSA-N 2 2 337.414 2.334 10 30 EEEELP C=C(CC[NH+](C)C)C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000901275232 1235466068 /nfs/dbraw/zinc/46/60/68/1235466068.db2.gz YAARRGXQBFNBTR-IRXDYDNUSA-N 2 2 337.414 2.334 10 30 EEEELP C#CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@H](CC)[NH+](CC)CC ZINC001273825972 1286522742 /nfs/dbraw/zinc/52/27/42/1286522742.db2.gz WADJRJUYWGOFNO-PMACEKPBSA-N 2 2 341.499 2.283 10 30 EEEELP C#CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@H](CC)[NH+](CC)CC ZINC001273825972 1286522745 /nfs/dbraw/zinc/52/27/45/1286522745.db2.gz WADJRJUYWGOFNO-PMACEKPBSA-N 2 2 341.499 2.283 10 30 EEEELP C=CCC[C@@H](C)[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001264425605 1322698426 /nfs/dbraw/zinc/69/84/26/1322698426.db2.gz AFFHTCNULRFYME-QBPKDAKJSA-N 2 2 330.476 2.285 10 30 EEEELP C#CCC[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001264574141 1322735553 /nfs/dbraw/zinc/73/55/53/1322735553.db2.gz IPGDJACVEZFSGK-SJLPKXTDSA-N 2 2 330.476 2.363 10 30 EEEELP C#CCC[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001264574141 1322735555 /nfs/dbraw/zinc/73/55/55/1322735555.db2.gz IPGDJACVEZFSGK-SJLPKXTDSA-N 2 2 330.476 2.363 10 30 EEEELP C=CCCC[NH+]1CCC2(C[C@H]2NC(=O)CCc2[nH+]ccn2C)CC1 ZINC001265329624 1323078278 /nfs/dbraw/zinc/07/82/78/1323078278.db2.gz JVBVGBNMOQAIGP-MRXNPFEDSA-N 2 2 330.476 2.290 10 30 EEEELP C#CCC[NH2+]C[C@H]1CCCCN1C(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC001265686057 1323320516 /nfs/dbraw/zinc/32/05/16/1323320516.db2.gz ISXZYZYMYSUCSD-GOSISDBHSA-N 2 2 338.455 2.179 10 30 EEEELP C=CCCC[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001266104856 1323668951 /nfs/dbraw/zinc/66/89/51/1323668951.db2.gz AZSOFGBHKBAGHV-SJORKVTESA-N 2 2 330.476 2.335 10 30 EEEELP C=CCCC[N@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001266104856 1323668955 /nfs/dbraw/zinc/66/89/55/1323668955.db2.gz AZSOFGBHKBAGHV-SJORKVTESA-N 2 2 330.476 2.335 10 30 EEEELP C=C(C)CC[NH2+]CC1(NC(=O)c2cc3c[nH+]ccc3[nH]2)CCOCC1 ZINC001281253232 1324918992 /nfs/dbraw/zinc/91/89/92/1324918992.db2.gz LWDSBXONQMZSGJ-UHFFFAOYSA-N 2 2 342.443 2.398 10 30 EEEELP C#CC[N@@H+]1CC[C@]2(NC(=O)[C@@H](CC(C)C)n3cc[nH+]c3)CCC[C@@H]12 ZINC001284056209 1326384671 /nfs/dbraw/zinc/38/46/71/1326384671.db2.gz GAEMZVRVXDNILY-ZHALLVOQSA-N 2 2 328.460 2.217 10 30 EEEELP C#CC[N@H+]1CC[C@]2(NC(=O)[C@@H](CC(C)C)n3cc[nH+]c3)CCC[C@@H]12 ZINC001284056209 1326384675 /nfs/dbraw/zinc/38/46/75/1326384675.db2.gz GAEMZVRVXDNILY-ZHALLVOQSA-N 2 2 328.460 2.217 10 30 EEEELP C=CCC[C@@H](C)[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001316633586 1326626755 /nfs/dbraw/zinc/62/67/55/1326626755.db2.gz NWEIHHNRJZSIQV-WCXIOVBPSA-N 2 2 330.476 2.285 10 30 EEEELP C=CCC[C@H](C)[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001316633584 1326626986 /nfs/dbraw/zinc/62/69/86/1326626986.db2.gz NWEIHHNRJZSIQV-QAETUUGQSA-N 2 2 330.476 2.285 10 30 EEEELP C=C(C)CC[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001317376708 1332204140 /nfs/dbraw/zinc/20/41/40/1332204140.db2.gz QYHZOSYETOMYHY-SJORKVTESA-N 2 2 330.476 2.335 10 30 EEEELP C=C(C)CC[N@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001317376708 1332204141 /nfs/dbraw/zinc/20/41/41/1332204141.db2.gz QYHZOSYETOMYHY-SJORKVTESA-N 2 2 330.476 2.335 10 30 EEEELP Cc1cn(C(C)(C)C(=O)N(C)CC[NH2+]CC#Cc2ccccc2)c[nH+]1 ZINC001317599519 1332318454 /nfs/dbraw/zinc/31/84/54/1332318454.db2.gz XQNRXIIVPLJRPS-UHFFFAOYSA-N 2 2 338.455 2.026 10 30 EEEELP C#CC[N@H+]1CCC[C@@](C)(CNC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001324942841 1333792487 /nfs/dbraw/zinc/79/24/87/1333792487.db2.gz ARQLAEVEFJXRGX-MJGOQNOKSA-N 2 2 330.476 2.322 10 30 EEEELP C#CC[N@@H+]1CCC[C@@](C)(CNC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001324942841 1333792488 /nfs/dbraw/zinc/79/24/88/1333792488.db2.gz ARQLAEVEFJXRGX-MJGOQNOKSA-N 2 2 330.476 2.322 10 30 EEEELP CCCCCCC[N@@H+]1CCO[C@@]2(CCN(C(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC001330160575 1334789687 /nfs/dbraw/zinc/78/96/87/1334789687.db2.gz QDZAHVDSTLMHAH-IBGZPJMESA-N 2 2 348.491 2.226 10 30 EEEELP CCCCCCC[N@H+]1CCO[C@@]2(CCN(C(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC001330160575 1334789690 /nfs/dbraw/zinc/78/96/90/1334789690.db2.gz QDZAHVDSTLMHAH-IBGZPJMESA-N 2 2 348.491 2.226 10 30 EEEELP C#CC[NH+]1CCC([NH2+]C[C@H](O)c2ccc(OC(F)(F)F)cc2)CC1 ZINC001335880800 1336441743 /nfs/dbraw/zinc/44/17/43/1336441743.db2.gz GSGUOIAKRVNLRY-INIZCTEOSA-N 2 2 342.361 2.306 10 30 EEEELP C=CCn1c([C@@H]2CCC[NH+]2C)nnc1N1CC[N@H+](C)[C@@H](C(C)C)C1 ZINC001340491618 1337195159 /nfs/dbraw/zinc/19/51/59/1337195159.db2.gz JOXFAIQDYDYLBN-JKSUJKDBSA-N 2 2 332.496 2.007 10 30 EEEELP C=CCn1c([C@@H]2CCC[NH+]2C)nnc1N1CC[N@@H+](C)[C@@H](C(C)C)C1 ZINC001340491618 1337195161 /nfs/dbraw/zinc/19/51/61/1337195161.db2.gz JOXFAIQDYDYLBN-JKSUJKDBSA-N 2 2 332.496 2.007 10 30 EEEELP C=CCn1c([C@@H]2CCC[N@@H+]2C)nnc1N1CC[NH+](C)[C@@H](C(C)C)C1 ZINC001340491618 1337195163 /nfs/dbraw/zinc/19/51/63/1337195163.db2.gz JOXFAIQDYDYLBN-JKSUJKDBSA-N 2 2 332.496 2.007 10 30 EEEELP C=CCn1c([C@@H]2CCC[N@H+]2C)nnc1N1CC[NH+](C)[C@@H](C(C)C)C1 ZINC001340491618 1337195165 /nfs/dbraw/zinc/19/51/65/1337195165.db2.gz JOXFAIQDYDYLBN-JKSUJKDBSA-N 2 2 332.496 2.007 10 30 EEEELP CC(=NNCCCn1cc[nH+]c1)c1cccc(OCC[NH+](C)C)c1 ZINC000848418006 1338699223 /nfs/dbraw/zinc/69/92/23/1338699223.db2.gz IAXQHRBOUNKNFF-UHFFFAOYSA-N 2 2 329.448 2.227 10 30 EEEELP C#CC[NH2+]C1(CNC(=O)CCCF)CC[NH+](Cc2ccccc2)CC1 ZINC001571650994 1343263104 /nfs/dbraw/zinc/26/31/04/1343263104.db2.gz KNQJPUANCVGJPF-UHFFFAOYSA-N 2 2 345.462 2.110 10 30 EEEELP C=C(C)CC[N@@H+]1CC[C@@]2(NC(=O)CCc3c[nH+]cn3C)CCC[C@H]12 ZINC001676819938 1357211930 /nfs/dbraw/zinc/21/19/30/1357211930.db2.gz DYVIXCZFJSORNQ-HKUYNNGSSA-N 2 2 330.476 2.432 10 30 EEEELP C=C(C)CC[N@H+]1CC[C@@]2(NC(=O)CCc3c[nH+]cn3C)CCC[C@H]12 ZINC001676819938 1357211934 /nfs/dbraw/zinc/21/19/34/1357211934.db2.gz DYVIXCZFJSORNQ-HKUYNNGSSA-N 2 2 330.476 2.432 10 30 EEEELP C[C@@H](CCNC(=O)C[C@H](C)n1cc[nH+]c1)[NH2+]CC#Cc1ccccc1 ZINC001662984400 1354883761 /nfs/dbraw/zinc/88/37/61/1354883761.db2.gz SCIKGPFNFQXWSH-ROUUACIJSA-N 2 2 338.455 2.370 10 30 EEEELP C=CC[NH+](CC=C)[C@H](CNC(=O)NCc1ccc[nH+]c1N)C(C)C ZINC001665701834 1355365179 /nfs/dbraw/zinc/36/51/79/1355365179.db2.gz PQUTYHFTFDJIPB-MRXNPFEDSA-N 2 2 331.464 2.162 10 30 EEEELP C#CCN(C(=O)[C@H](C)Cc1c[nH]c[nH+]1)C1CC[NH+](CCCC)CC1 ZINC001671496627 1356349445 /nfs/dbraw/zinc/34/94/45/1356349445.db2.gz FQUUHEWNBBIGRX-MRXNPFEDSA-N 2 2 330.476 2.315 10 30 EEEELP C#CCN(C(=O)[C@H](C)Cc1c[nH+]c[nH]1)C1CC[NH+](CCCC)CC1 ZINC001671496627 1356349447 /nfs/dbraw/zinc/34/94/47/1356349447.db2.gz FQUUHEWNBBIGRX-MRXNPFEDSA-N 2 2 330.476 2.315 10 30 EEEELP CC#CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)[C@H](CC)[NH+](C)C ZINC001674271646 1356810022 /nfs/dbraw/zinc/81/00/22/1356810022.db2.gz LQDCBRVXUUISIR-OALUTQOASA-N 2 2 327.472 2.066 10 30 EEEELP CC#CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)[C@H](CC)[NH+](C)C ZINC001674271646 1356810025 /nfs/dbraw/zinc/81/00/25/1356810025.db2.gz LQDCBRVXUUISIR-OALUTQOASA-N 2 2 327.472 2.066 10 30 EEEELP C=CCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)C(C)(C)C1 ZINC000940850758 779431811 /nfs/dbraw/zinc/43/18/11/779431811.db2.gz MTGPQOHUPDMLLL-JKSUJKDBSA-N 2 2 330.476 2.238 10 30 EEEELP C=CCC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)C(C)(C)C1 ZINC000940850758 779431814 /nfs/dbraw/zinc/43/18/14/779431814.db2.gz MTGPQOHUPDMLLL-JKSUJKDBSA-N 2 2 330.476 2.238 10 30 EEEELP C=CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)C(C)(C)C1 ZINC000940851623 779434396 /nfs/dbraw/zinc/43/43/96/779434396.db2.gz ZPSKFLHCQDVTPW-RDJZCZTQSA-N 2 2 330.476 2.238 10 30 EEEELP C=CCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)C(C)(C)C1 ZINC000940851623 779434401 /nfs/dbraw/zinc/43/44/01/779434401.db2.gz ZPSKFLHCQDVTPW-RDJZCZTQSA-N 2 2 330.476 2.238 10 30 EEEELP Cc1ccc(C(=O)/C=C/C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)cc1 ZINC000912304836 788102699 /nfs/dbraw/zinc/10/26/99/788102699.db2.gz RZCITQPZBYRVDU-FLVLSHQESA-N 2 2 345.487 2.122 10 30 EEEELP Cc1ccc(C(=O)/C=C/C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)cc1 ZINC000912304836 788102709 /nfs/dbraw/zinc/10/27/09/788102709.db2.gz RZCITQPZBYRVDU-FLVLSHQESA-N 2 2 345.487 2.122 10 30 EEEELP C[C@H](CC(=O)NC[C@H](C)[N@H+](C)Cc1cccc(C#N)c1)n1cc[nH+]c1 ZINC001440973670 1094232798 /nfs/dbraw/zinc/23/27/98/1094232798.db2.gz JVXIIFBCJDVOFV-CVEARBPZSA-N 2 2 339.443 2.343 10 30 EEEELP C[C@H](CC(=O)NC[C@H](C)[N@@H+](C)Cc1cccc(C#N)c1)n1cc[nH+]c1 ZINC001440973670 1094232803 /nfs/dbraw/zinc/23/28/03/1094232803.db2.gz JVXIIFBCJDVOFV-CVEARBPZSA-N 2 2 339.443 2.343 10 30 EEEELP C=CCCCCC[NH+]1CC(N(C)C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001499696608 1112447564 /nfs/dbraw/zinc/44/75/64/1112447564.db2.gz QRIIKMSOCQVFBQ-MRXNPFEDSA-N 2 2 330.476 2.335 10 30 EEEELP CC#CC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001505415260 1113949237 /nfs/dbraw/zinc/94/92/37/1113949237.db2.gz HSHXZWFLOIMZLP-QKYXUNIQSA-N 2 2 336.439 2.229 10 30 EEEELP CC#CC[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001569166172 1125140034 /nfs/dbraw/zinc/14/00/34/1125140034.db2.gz SJQCLHIKNDITMO-DLBZAZTESA-N 2 2 330.476 2.215 10 30 EEEELP C[N@H+](Cc1ccc(C#N)o1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000190315129 160158013 /nfs/dbraw/zinc/15/80/13/160158013.db2.gz SVOMRPJXLNYENX-IBGZPJMESA-N 2 2 325.412 2.220 10 30 EEEELP C[N@@H+](Cc1ccc(C#N)o1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000190315129 160158015 /nfs/dbraw/zinc/15/80/15/160158015.db2.gz SVOMRPJXLNYENX-IBGZPJMESA-N 2 2 325.412 2.220 10 30 EEEELP C[NH+](Cc1ccc(C#N)o1)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000190315129 160158016 /nfs/dbraw/zinc/15/80/16/160158016.db2.gz SVOMRPJXLNYENX-IBGZPJMESA-N 2 2 325.412 2.220 10 30 EEEELP C[NH+](Cc1ccc(C#N)o1)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000190315129 160158018 /nfs/dbraw/zinc/15/80/18/160158018.db2.gz SVOMRPJXLNYENX-IBGZPJMESA-N 2 2 325.412 2.220 10 30 EEEELP C[N@H+](Cc1ccc(C#N)c(F)c1)C1CC[NH+](CCn2cccn2)CC1 ZINC000192003782 160165308 /nfs/dbraw/zinc/16/53/08/160165308.db2.gz HZNNDKCALJXMFH-UHFFFAOYSA-N 2 2 341.434 2.490 10 30 EEEELP C[N@@H+](Cc1ccc(C#N)c(F)c1)C1CC[NH+](CCn2cccn2)CC1 ZINC000192003782 160165309 /nfs/dbraw/zinc/16/53/09/160165309.db2.gz HZNNDKCALJXMFH-UHFFFAOYSA-N 2 2 341.434 2.490 10 30 EEEELP N#Cc1ccc(N2CC[C@H]([NH2+]C[C@@H]3CCCn4cc[nH+]c43)C2=O)cc1 ZINC000089780992 462718376 /nfs/dbraw/zinc/71/83/76/462718376.db2.gz VPEUIVQMGIGOGU-RDJZCZTQSA-N 2 2 335.411 2.027 10 30 EEEELP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+](Cc2ccc(F)c(C#N)c2)CC1 ZINC000120417347 462996949 /nfs/dbraw/zinc/99/69/49/462996949.db2.gz JPTAAEAINBFFSU-GOSISDBHSA-N 2 2 330.451 2.299 10 30 EEEELP C[N@H+]1CCCC[C@@H]1CN1CC[NH+](Cc2ccc(F)c(C#N)c2)CC1 ZINC000120417347 462996953 /nfs/dbraw/zinc/99/69/53/462996953.db2.gz JPTAAEAINBFFSU-GOSISDBHSA-N 2 2 330.451 2.299 10 30 EEEELP [NH2+]=C(NC[C@@H]1C[N@@H+](C2CC2)CCO1)Nc1cccc2c1CCCC2 ZINC000262714302 464039041 /nfs/dbraw/zinc/03/90/41/464039041.db2.gz RDKGHOGSRREVSM-MRXNPFEDSA-N 2 2 328.460 2.155 10 30 EEEELP [NH2+]=C(NC[C@@H]1C[N@H+](C2CC2)CCO1)Nc1cccc2c1CCCC2 ZINC000262714302 464039045 /nfs/dbraw/zinc/03/90/45/464039045.db2.gz RDKGHOGSRREVSM-MRXNPFEDSA-N 2 2 328.460 2.155 10 30 EEEELP C[C@@H]([NH2+]CC(=O)N[C@](C)(C#N)C1CC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000180671973 464366047 /nfs/dbraw/zinc/36/60/47/464366047.db2.gz GUNQEIVZAFRYGQ-AUUYWEPGSA-N 2 2 337.427 2.331 10 30 EEEELP C=CCN1CC[C@H]([N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)C1=O ZINC000282028008 464673598 /nfs/dbraw/zinc/67/35/98/464673598.db2.gz KQWFRSROQWLKFH-WBVHZDCISA-N 2 2 328.460 2.186 10 30 EEEELP C=CCN1CC[C@H]([N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)C1=O ZINC000282028008 464673604 /nfs/dbraw/zinc/67/36/04/464673604.db2.gz KQWFRSROQWLKFH-WBVHZDCISA-N 2 2 328.460 2.186 10 30 EEEELP C[C@H]([NH2+]C[C@@H](O)CC1(C#N)CCOCC1)[C@H](c1ccccc1)[NH+](C)C ZINC000600737859 468643420 /nfs/dbraw/zinc/64/34/20/468643420.db2.gz WOEUDAAPZCGIHD-YTQUADARSA-N 2 2 345.487 2.339 10 30 EEEELP C[N@H+](CCN1CC[NH+](Cc2ccnc(C#N)c2)CC1)Cc1ccccc1 ZINC000610992806 469134796 /nfs/dbraw/zinc/13/47/96/469134796.db2.gz KURPMEBTMWJBNS-UHFFFAOYSA-N 2 2 349.482 2.203 10 30 EEEELP C[N@@H+](CCN1CC[NH+](Cc2ccnc(C#N)c2)CC1)Cc1ccccc1 ZINC000610992806 469134802 /nfs/dbraw/zinc/13/48/02/469134802.db2.gz KURPMEBTMWJBNS-UHFFFAOYSA-N 2 2 349.482 2.203 10 30 EEEELP C=CCCC[N@@H+](C)C[C@H](O)C[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000754041527 577799153 /nfs/dbraw/zinc/79/91/53/577799153.db2.gz BKROKQVUYOYRGW-IBGZPJMESA-N 2 2 347.503 2.076 10 30 EEEELP C=CCCC[N@H+](C)C[C@H](O)C[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000754041527 577799154 /nfs/dbraw/zinc/79/91/54/577799154.db2.gz BKROKQVUYOYRGW-IBGZPJMESA-N 2 2 347.503 2.076 10 30 EEEELP Cc1cccn2cc(Cc3noc(C4CC5(C4)C[NH2+]C[C@@H]5C#N)n3)[nH+]c12 ZINC000904092705 694296052 /nfs/dbraw/zinc/29/60/52/694296052.db2.gz VGFRICGEJUGQKP-BIWSTMPVSA-N 2 2 348.410 2.223 10 30 EEEELP CC(C)[C@@H](C(=O)NCC[N@H+](C)CC#Cc1ccccc1)[NH+]1CCCC1 ZINC001267232621 1178558168 /nfs/dbraw/zinc/55/81/68/1178558168.db2.gz KYNNQUFDKGMWPV-FQEVSTJZSA-N 2 2 341.499 2.207 10 30 EEEELP CC(C)[C@@H](C(=O)NCC[N@@H+](C)CC#Cc1ccccc1)[NH+]1CCCC1 ZINC001267232621 1178558171 /nfs/dbraw/zinc/55/81/71/1178558171.db2.gz KYNNQUFDKGMWPV-FQEVSTJZSA-N 2 2 341.499 2.207 10 30 EEEELP C=CCCC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001267586161 1179551607 /nfs/dbraw/zinc/55/16/07/1179551607.db2.gz LIPUIHHUISRWRL-DLBZAZTESA-N 2 2 330.476 2.192 10 30 EEEELP C=CCCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001267586161 1179551611 /nfs/dbraw/zinc/55/16/11/1179551611.db2.gz LIPUIHHUISRWRL-DLBZAZTESA-N 2 2 330.476 2.192 10 30 EEEELP C[NH+](C)CCCC(=O)N[C@@H]1CCC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC001481528107 1181650852 /nfs/dbraw/zinc/65/08/52/1181650852.db2.gz KONQKUMKRBYYFL-LJQANCHMSA-N 2 2 345.462 2.100 10 30 EEEELP C[NH+](C)CCCC(=O)N[C@@H]1CCC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC001481528107 1181650855 /nfs/dbraw/zinc/65/08/55/1181650855.db2.gz KONQKUMKRBYYFL-LJQANCHMSA-N 2 2 345.462 2.100 10 30 EEEELP C#CC[NH2+]C[C@@H](NC(=O)Cc1cn2c([nH+]1)CCCC2)C1CCCCC1 ZINC001268120649 1181767412 /nfs/dbraw/zinc/76/74/12/1181767412.db2.gz PCIFBCFDXOXBQV-GOSISDBHSA-N 2 2 342.487 2.050 10 30 EEEELP C=CCOCC[NH2+][C@H]1CC[C@H](NC(=O)c2cccc3[nH+]ccn32)CC1 ZINC001482018665 1183139504 /nfs/dbraw/zinc/13/95/04/1183139504.db2.gz NYGLKYOXQALLPF-WKILWMFISA-N 2 2 342.443 2.168 10 30 EEEELP C=CCCCCC[NH+]1CCO[C@@H](CNC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001482194948 1183734347 /nfs/dbraw/zinc/73/43/47/1183734347.db2.gz IVFRGWLHNGTSOY-ROUUACIJSA-N 2 2 337.508 2.034 10 30 EEEELP C=CCCCCC[NH+]1CCO[C@@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001482194948 1183734350 /nfs/dbraw/zinc/73/43/50/1183734350.db2.gz IVFRGWLHNGTSOY-ROUUACIJSA-N 2 2 337.508 2.034 10 30 EEEELP C=CCCCCC[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001482194948 1183734354 /nfs/dbraw/zinc/73/43/54/1183734354.db2.gz IVFRGWLHNGTSOY-ROUUACIJSA-N 2 2 337.508 2.034 10 30 EEEELP C=CCCCCC[N@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001482194948 1183734359 /nfs/dbraw/zinc/73/43/59/1183734359.db2.gz IVFRGWLHNGTSOY-ROUUACIJSA-N 2 2 337.508 2.034 10 30 EEEELP CC(C)[N@H+](C)CC(=O)NCC1C[NH+](CC#Cc2ccc(Cl)cc2)C1 ZINC001268910724 1183812479 /nfs/dbraw/zinc/81/24/79/1183812479.db2.gz CTVWXJKUJACGQU-UHFFFAOYSA-N 2 2 347.890 2.080 10 30 EEEELP CC(C)[N@@H+](C)CC(=O)NCC1C[NH+](CC#Cc2ccc(Cl)cc2)C1 ZINC001268910724 1183812481 /nfs/dbraw/zinc/81/24/81/1183812481.db2.gz CTVWXJKUJACGQU-UHFFFAOYSA-N 2 2 347.890 2.080 10 30 EEEELP C=C(C)C[NH2+]CCN(Cc1ccccc1)C(=O)Cc1c[nH+]cn1C ZINC001271819966 1186520829 /nfs/dbraw/zinc/52/08/29/1186520829.db2.gz YDEMEVJPFHINGB-UHFFFAOYSA-N 2 2 326.444 2.157 10 30 EEEELP C=CCC[NH2+]C[C@@H](NC(=O)[C@@H]1CCn2c[nH+]cc2C1)C1CCCC1 ZINC001484001550 1191151324 /nfs/dbraw/zinc/15/13/24/1191151324.db2.gz AZZKRVVNAYQQII-SJLPKXTDSA-N 2 2 330.476 2.286 10 30 EEEELP C=C(Cl)C[NH+](C)[C@@H](C)CNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001485349481 1191750231 /nfs/dbraw/zinc/75/02/31/1191750231.db2.gz GWVBLEQRKYQMOK-BBRMVZONSA-N 2 2 333.879 2.388 10 30 EEEELP C=C(Cl)C[NH+](C)[C@@H](C)CNC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001485349481 1191750233 /nfs/dbraw/zinc/75/02/33/1191750233.db2.gz GWVBLEQRKYQMOK-BBRMVZONSA-N 2 2 333.879 2.388 10 30 EEEELP C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001485349481 1191750235 /nfs/dbraw/zinc/75/02/35/1191750235.db2.gz GWVBLEQRKYQMOK-BBRMVZONSA-N 2 2 333.879 2.388 10 30 EEEELP C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001485349481 1191750236 /nfs/dbraw/zinc/75/02/36/1191750236.db2.gz GWVBLEQRKYQMOK-BBRMVZONSA-N 2 2 333.879 2.388 10 30 EEEELP CC(C)N(CC[N@H+](C)Cc1cc(C#N)ccc1F)C(=O)CC[NH+](C)C ZINC001411194666 1198889664 /nfs/dbraw/zinc/88/96/64/1198889664.db2.gz FPLKFFNQRODZLR-UHFFFAOYSA-N 2 2 348.466 2.318 10 30 EEEELP CC(C)N(CC[N@@H+](C)Cc1cc(C#N)ccc1F)C(=O)CC[NH+](C)C ZINC001411194666 1198889668 /nfs/dbraw/zinc/88/96/68/1198889668.db2.gz FPLKFFNQRODZLR-UHFFFAOYSA-N 2 2 348.466 2.318 10 30 EEEELP CC(C)[C@H](C[NH2+][C@H](C)c1cccc(C#N)c1O)N1CC[NH+](C)CC1 ZINC000866226163 1201471011 /nfs/dbraw/zinc/47/10/11/1201471011.db2.gz GYUDQNCGJCVMNH-QAPCUYQASA-N 2 2 330.476 2.186 10 30 EEEELP C=C(C)CC[NH2+][C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CC[C@H]1C(F)(F)F ZINC001279174870 1205283762 /nfs/dbraw/zinc/28/37/62/1205283762.db2.gz XBJTWGLZEJPIKT-CHWSQXEVSA-N 2 2 344.381 2.287 10 30 EEEELP C[C@H](NC(=O)Cc1[nH]cc[nH+]1)[C@H](C)[NH2+]CC#Cc1cccc(Cl)c1 ZINC001275530900 1205397779 /nfs/dbraw/zinc/39/77/79/1205397779.db2.gz ZEJLDDWCJOPWKS-KBPBESRZSA-N 2 2 344.846 2.140 10 30 EEEELP C=CC[NH2+]CC1(NC(=O)c2cc([C@H]3CCC[N@H+]3C)n[nH]2)CCCCC1 ZINC001276200998 1205830106 /nfs/dbraw/zinc/83/01/06/1205830106.db2.gz YMTLLZQLYDSRKM-QGZVFWFLSA-N 2 2 345.491 2.385 10 30 EEEELP C=CC[NH2+]CC1(NC(=O)c2cc([C@H]3CCC[N@@H+]3C)n[nH]2)CCCCC1 ZINC001276200998 1205830108 /nfs/dbraw/zinc/83/01/08/1205830108.db2.gz YMTLLZQLYDSRKM-QGZVFWFLSA-N 2 2 345.491 2.385 10 30 EEEELP C=CCC[NH2+]CC1(NC(=O)[C@H]2CCc3c[nH+]cn3C2)CCCCC1 ZINC001276208737 1205834105 /nfs/dbraw/zinc/83/41/05/1205834105.db2.gz SNFNXDJVGFXOAP-INIZCTEOSA-N 2 2 330.476 2.430 10 30 EEEELP C=CCCC[NH+]1CCC(N(C)C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001490419030 1291329003 /nfs/dbraw/zinc/32/90/03/1291329003.db2.gz XSKATYIOTQESNM-IAGOWNOFSA-N 2 2 330.476 2.413 10 30 EEEELP C=C(C)C[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CCCn3cc[nH+]c3)C[C@H]21 ZINC001278494318 1310750996 /nfs/dbraw/zinc/75/09/96/1310750996.db2.gz OMKWTCJWVDNASW-RCCFBDPRSA-N 2 2 330.476 2.456 10 30 EEEELP CC#CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)C(C)(C)n3c[nH+]c(C)c3)C[C@@H]21 ZINC001284086980 1326400135 /nfs/dbraw/zinc/40/01/35/1326400135.db2.gz MSUXCNLQKNKKFU-FGTMMUONSA-N 2 2 342.487 2.167 10 30 EEEELP C=CCCC[NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001317188588 1332122124 /nfs/dbraw/zinc/12/21/24/1332122124.db2.gz KYSVWVUFLPUZNP-WMZOPIPTSA-N 2 2 330.476 2.382 10 30 EEEELP CC[C@@H](CNC(=O)[C@H](C)Cc1c[nH]c[nH+]1)[NH2+]CC#Cc1ccccc1 ZINC001318582566 1332563268 /nfs/dbraw/zinc/56/32/68/1332563268.db2.gz KHANFOGXZJBTAQ-AEFFLSMTSA-N 2 2 338.455 2.124 10 30 EEEELP C=CCCC[N@H+]1CCC2(C1)CCN(C(=O)Cc1c[nH+]cn1C)CC2 ZINC001319146322 1332657008 /nfs/dbraw/zinc/65/70/08/1332657008.db2.gz YQAODSXHTUHLMS-UHFFFAOYSA-N 2 2 330.476 2.243 10 30 EEEELP C=CCCC[N@@H+]1CCC2(C1)CCN(C(=O)Cc1c[nH+]cn1C)CC2 ZINC001319146322 1332657013 /nfs/dbraw/zinc/65/70/13/1332657013.db2.gz YQAODSXHTUHLMS-UHFFFAOYSA-N 2 2 330.476 2.243 10 30 EEEELP C#CCC[NH2+][C@@H]1CCN(C(=O)Cc2cn3cccc(C)c3[nH+]2)[C@H](C)C1 ZINC001324086739 1333606110 /nfs/dbraw/zinc/60/61/10/1333606110.db2.gz HCCARVWONRNTDE-IAGOWNOFSA-N 2 2 338.455 2.178 10 30 EEEELP C#CCN(C(=O)Cc1[nH]c[nH+]c1C)C1CC[NH+](CC=C(C)C)CC1 ZINC001324440698 1333683986 /nfs/dbraw/zinc/68/39/86/1333683986.db2.gz YIONGEWKBQIAMJ-UHFFFAOYSA-N 2 2 328.460 2.153 10 30 EEEELP C=CCCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001325899172 1333988502 /nfs/dbraw/zinc/98/85/02/1333988502.db2.gz OGALREOSLKZHLE-QXAKKESOSA-N 2 2 342.487 2.477 10 30 EEEELP C=CCCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001325899172 1333988504 /nfs/dbraw/zinc/98/85/04/1333988504.db2.gz OGALREOSLKZHLE-QXAKKESOSA-N 2 2 342.487 2.477 10 30 EEEELP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CC=C(Cl)Cl)CCC1 ZINC001326834786 1334166586 /nfs/dbraw/zinc/16/65/86/1334166586.db2.gz NVCKUNIPRYFBKL-ZDUSSCGKSA-N 2 2 344.286 2.032 10 30 EEEELP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CC=C(Cl)Cl)CCC1 ZINC001326834786 1334166589 /nfs/dbraw/zinc/16/65/89/1334166589.db2.gz NVCKUNIPRYFBKL-ZDUSSCGKSA-N 2 2 344.286 2.032 10 30 EEEELP CCCCCCC[N@@H+]1CCO[C@]2(CCN(C(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC001330160576 1334789900 /nfs/dbraw/zinc/78/99/00/1334789900.db2.gz QDZAHVDSTLMHAH-LJQANCHMSA-N 2 2 348.491 2.226 10 30 EEEELP CCCCCCC[N@H+]1CCO[C@]2(CCN(C(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC001330160576 1334789904 /nfs/dbraw/zinc/78/99/04/1334789904.db2.gz QDZAHVDSTLMHAH-LJQANCHMSA-N 2 2 348.491 2.226 10 30 EEEELP C#CC[NH+]1CCC([NH2+]C[C@H](O)CO[C@H]2CCCc3ccccc32)CC1 ZINC001353321940 1338237090 /nfs/dbraw/zinc/23/70/90/1338237090.db2.gz CENFVDUBFBPPAB-FPOVZHCZSA-N 2 2 342.483 2.129 10 30 EEEELP C=CCCC[NH2+]C[C@H]1C[C@H](NC(=O)c2cc([C@@H]3CCC[N@H+]3C)n[nH]2)C1 ZINC001571118667 1343163133 /nfs/dbraw/zinc/16/31/33/1343163133.db2.gz WCUDYSBJORPVDK-MPGHIAIKSA-N 2 2 345.491 2.241 10 30 EEEELP C=CCCC[NH2+]C[C@H]1C[C@H](NC(=O)c2cc([C@@H]3CCC[N@@H+]3C)n[nH]2)C1 ZINC001571118667 1343163142 /nfs/dbraw/zinc/16/31/42/1343163142.db2.gz WCUDYSBJORPVDK-MPGHIAIKSA-N 2 2 345.491 2.241 10 30 EEEELP C#CCC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)C(C)(C)n3c[nH+]c(C)c3)C[C@@H]21 ZINC001676837711 1357216997 /nfs/dbraw/zinc/21/69/97/1357216997.db2.gz LZPNMLKJFIOLCG-OKZBNKHCSA-N 2 2 342.487 2.167 10 30 EEEELP C=CCC[NH2+][C@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)CC[C@H]1C(F)(F)F ZINC001677376785 1357324617 /nfs/dbraw/zinc/32/46/17/1357324617.db2.gz ZAJITTKQSMKOGR-OCCSQVGLSA-N 2 2 344.381 2.206 10 30 EEEELP C#CC[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001656627289 1354253772 /nfs/dbraw/zinc/25/37/72/1354253772.db2.gz FQIQUDUORRDZDR-SOLBZPMBSA-N 2 2 330.476 2.218 10 30 EEEELP C#CC[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001656627289 1354253777 /nfs/dbraw/zinc/25/37/77/1354253777.db2.gz FQIQUDUORRDZDR-SOLBZPMBSA-N 2 2 330.476 2.218 10 30 EEEELP C=CCC[N@@H+]1CCC[C@@H]1CCCNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001663085498 1354909779 /nfs/dbraw/zinc/90/97/79/1354909779.db2.gz HSRXWFUILOVPLF-SJORKVTESA-N 2 2 330.476 2.382 10 30 EEEELP C=CCC[N@H+]1CCC[C@@H]1CCCNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001663085498 1354909781 /nfs/dbraw/zinc/90/97/81/1354909781.db2.gz HSRXWFUILOVPLF-SJORKVTESA-N 2 2 330.476 2.382 10 30 EEEELP C#CC[N@H+]1CCC[C@@H]1CCCNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001663092934 1354911485 /nfs/dbraw/zinc/91/14/85/1354911485.db2.gz HJRGIZRUQBYZMA-SFHVURJKSA-N 2 2 336.439 2.480 10 30 EEEELP C#CC[N@@H+]1CCC[C@@H]1CCCNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001663092934 1354911491 /nfs/dbraw/zinc/91/14/91/1354911491.db2.gz HJRGIZRUQBYZMA-SFHVURJKSA-N 2 2 336.439 2.480 10 30 EEEELP C[C@H](C[NH2+]CC#Cc1ccc(Cl)cc1)N(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001698850703 1405108087 /nfs/dbraw/zinc/10/80/87/1405108087.db2.gz ORVJXCPKMJKIRK-CQSZACIVSA-N 2 2 344.846 2.094 10 30 EEEELP C=CCc1ccc(OC[C@@H](O)C[N@@H+]2CCCCC[C@H]([NH3+])C2)c(OC)c1 ZINC000923409697 789515450 /nfs/dbraw/zinc/51/54/50/789515450.db2.gz DNBCJBGXSHMIIG-ROUUACIJSA-N 2 2 348.487 2.367 10 30 EEEELP C=CCc1ccc(OC[C@@H](O)C[N@H+]2CCCCC[C@H]([NH3+])C2)c(OC)c1 ZINC000923409697 789515459 /nfs/dbraw/zinc/51/54/59/789515459.db2.gz DNBCJBGXSHMIIG-ROUUACIJSA-N 2 2 348.487 2.367 10 30 EEEELP C=CCCC[NH+]1CCC(N(C)C(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC001479890089 1099265199 /nfs/dbraw/zinc/26/51/99/1099265199.db2.gz YTNPXWBOMXNTHO-INIZCTEOSA-N 2 2 330.476 2.335 10 30 EEEELP CN(CCC[NH2+]Cc1ccccc1C#N)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001498560668 1107722842 /nfs/dbraw/zinc/72/28/42/1107722842.db2.gz UKKBVRLTYYUJOI-IAGOWNOFSA-N 2 2 337.427 2.023 10 30 EEEELP C=CCCCCC[NH+]1CC(N(C)C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001499696607 1112447717 /nfs/dbraw/zinc/44/77/17/1112447717.db2.gz QRIIKMSOCQVFBQ-INIZCTEOSA-N 2 2 330.476 2.335 10 30 EEEELP C=CCC[NH2+][C@H](C)[C@H]1CCN(C(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001501047797 1113179220 /nfs/dbraw/zinc/17/92/20/1113179220.db2.gz TXJAHDWYUGFGIG-CVEARBPZSA-N 2 2 330.476 2.165 10 30 EEEELP C=C(C)CC[NH2+]C[C@](C)(NC(=O)[C@@H]1CCc2[nH+]ccn2C1)C1CC1 ZINC001568023543 1124235547 /nfs/dbraw/zinc/23/55/47/1124235547.db2.gz VLXYPGHLMFDSAQ-BEFAXECRSA-N 2 2 330.476 2.286 10 30 EEEELP C#CCC[N@@H+](C)CCC1CCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC001568438183 1124507425 /nfs/dbraw/zinc/50/74/25/1124507425.db2.gz WVDODNMBMSLFOP-SFHVURJKSA-N 2 2 342.487 2.029 10 30 EEEELP C#CCC[N@H+](C)CCC1CCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC001568438183 1124507428 /nfs/dbraw/zinc/50/74/28/1124507428.db2.gz WVDODNMBMSLFOP-SFHVURJKSA-N 2 2 342.487 2.029 10 30 EEEELP CC[NH+]1CCC([NH+]=C([O-])N[C@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)CC1 ZINC000329271203 539770337 /nfs/dbraw/zinc/77/03/37/539770337.db2.gz JELYHCZBHNSIQZ-HNNXBMFYSA-N 2 2 347.507 2.483 10 30 EEEELP CC[NH+]1CCC(NC([O-])=[NH+][C@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)CC1 ZINC000329271203 539770341 /nfs/dbraw/zinc/77/03/41/539770341.db2.gz JELYHCZBHNSIQZ-HNNXBMFYSA-N 2 2 347.507 2.483 10 30 EEEELP Cc1cc[nH+]cc1N1CC[NH+](CCC(=O)Nc2ccccc2C#N)CC1 ZINC000535543875 317972546 /nfs/dbraw/zinc/97/25/46/317972546.db2.gz ZNPJCSVOMKELEZ-UHFFFAOYSA-N 2 2 349.438 2.413 10 30 EEEELP N#Cc1cccnc1N1CC[NH+](Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000078395307 463112189 /nfs/dbraw/zinc/11/21/89/463112189.db2.gz URTFZUCQVYMRPN-UHFFFAOYSA-N 2 2 344.422 2.461 10 30 EEEELP [NH2+]=C(NOC(=O)c1ccsc1)c1cccc(C[NH+]2CCOCC2)c1 ZINC000069895354 463347030 /nfs/dbraw/zinc/34/70/30/463347030.db2.gz LRLTUYVCBPUJJZ-UHFFFAOYSA-N 2 2 345.424 2.058 10 30 EEEELP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](CC(=O)Nc2cccc(C#N)c2)C1 ZINC000123568189 463351946 /nfs/dbraw/zinc/35/19/46/463351946.db2.gz SJZACGPUQFHMRK-MRXNPFEDSA-N 2 2 337.427 2.185 10 30 EEEELP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](CC(=O)Nc2cccc(C#N)c2)C1 ZINC000123568189 463351948 /nfs/dbraw/zinc/35/19/48/463351948.db2.gz SJZACGPUQFHMRK-MRXNPFEDSA-N 2 2 337.427 2.185 10 30 EEEELP C[NH+]1CCN([C@H]2CCCC[N@H+](Cc3ccc(C#N)cc3F)C2)CC1 ZINC000174902331 464466202 /nfs/dbraw/zinc/46/62/02/464466202.db2.gz WZLGFTBMRNXBBU-SFHVURJKSA-N 2 2 330.451 2.299 10 30 EEEELP C[NH+]1CCN([C@H]2CCCC[N@@H+](Cc3ccc(C#N)cc3F)C2)CC1 ZINC000174902331 464466206 /nfs/dbraw/zinc/46/62/06/464466206.db2.gz WZLGFTBMRNXBBU-SFHVURJKSA-N 2 2 330.451 2.299 10 30 EEEELP C[NH+]1CCC(CNc2ccc(Cl)c(C#N)n2)([NH+]2CCCCC2)CC1 ZINC000364916400 466720876 /nfs/dbraw/zinc/72/08/76/466720876.db2.gz MUIFXVGZZKDUME-UHFFFAOYSA-N 2 2 347.894 2.969 10 30 EEEELP CC[C@H]([NH2+]CCCN1CCC[N@H+](C)CC1)c1cccc(C#N)c1O ZINC000924966514 682083304 /nfs/dbraw/zinc/08/33/04/682083304.db2.gz ORBFEQGEJRORNM-SFHVURJKSA-N 2 2 330.476 2.332 10 30 EEEELP CC[C@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1cccc(C#N)c1O ZINC000924966514 682083309 /nfs/dbraw/zinc/08/33/09/682083309.db2.gz ORBFEQGEJRORNM-SFHVURJKSA-N 2 2 330.476 2.332 10 30 EEEELP C=CCC[N@H+]1CC[C@@H](N(CCC)C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001267545043 1179324876 /nfs/dbraw/zinc/32/48/76/1179324876.db2.gz WGPUYAUFYJIZIK-OAHLLOKOSA-N 2 2 334.464 2.239 10 30 EEEELP C=CCC[N@@H+]1CC[C@@H](N(CCC)C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001267545043 1179324883 /nfs/dbraw/zinc/32/48/83/1179324883.db2.gz WGPUYAUFYJIZIK-OAHLLOKOSA-N 2 2 334.464 2.239 10 30 EEEELP C=CCCC[N@H+]1CC[C@@H](CCNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001267575693 1179486197 /nfs/dbraw/zinc/48/61/97/1179486197.db2.gz KCVLSMOLRPAYNG-BRWVUGGUSA-N 2 2 330.476 2.318 10 30 EEEELP C=CCCC[N@@H+]1CC[C@@H](CCNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001267575693 1179486200 /nfs/dbraw/zinc/48/62/00/1179486200.db2.gz KCVLSMOLRPAYNG-BRWVUGGUSA-N 2 2 330.476 2.318 10 30 EEEELP C#CCC[NH2+]C[C@@]1(NC(=O)Cc2c[nH+]ccc2OC)CCCC[C@H]1C ZINC001481956807 1183025697 /nfs/dbraw/zinc/02/56/97/1183025697.db2.gz BTSZZMBRIFOEDW-UZLBHIALSA-N 2 2 343.471 2.311 10 30 EEEELP C#CCC[NH2+]C[C@]1(NC(=O)CCc2[nH+]ccn2C)CCCC[C@H]1C ZINC001481961855 1183045466 /nfs/dbraw/zinc/04/54/66/1183045466.db2.gz OTHXCTJXQAMKEY-VQIMIIECSA-N 2 2 330.476 2.031 10 30 EEEELP C=CC[NH2+]CC[C@@H]1CCCN(C(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001481977306 1183067245 /nfs/dbraw/zinc/06/72/45/1183067245.db2.gz NPVVFLMFHBLRAN-INIZCTEOSA-N 2 2 330.476 2.166 10 30 EEEELP C=C(C)C[NH+]1CCC(CCNC(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC001482044208 1183216080 /nfs/dbraw/zinc/21/60/80/1183216080.db2.gz RMBBXYIMHSIMIX-KRWDZBQOSA-N 2 2 330.476 2.240 10 30 EEEELP C#CCC[NH2+]C[C@@H](NC(=O)[C@H]1CCn2cc[nH+]c2C1)C1CCCCC1 ZINC001271341869 1186150275 /nfs/dbraw/zinc/15/02/75/1186150275.db2.gz SPVVFAUOLQSBRK-ZWKOTPCHSA-N 2 2 342.487 2.124 10 30 EEEELP C=CC[C@H]([NH2+]CC1CC[NH+](Cc2nc(C)c(C)o2)CC1)C(=O)OC ZINC000905759607 1189912855 /nfs/dbraw/zinc/91/28/55/1189912855.db2.gz NHEJMVNSSGJWCP-INIZCTEOSA-N 2 2 335.448 2.211 10 30 EEEELP CC#CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)CCCn1cc[nH+]c1)C2 ZINC001484022727 1191160510 /nfs/dbraw/zinc/16/05/10/1191160510.db2.gz OBBNJMSZNQFNES-FQEVSTJZSA-N 2 2 342.487 2.391 10 30 EEEELP CC#CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)CCCn1cc[nH+]c1)C2 ZINC001484022727 1191160511 /nfs/dbraw/zinc/16/05/11/1191160511.db2.gz OBBNJMSZNQFNES-FQEVSTJZSA-N 2 2 342.487 2.391 10 30 EEEELP C=CC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC001484393845 1191332516 /nfs/dbraw/zinc/33/25/16/1191332516.db2.gz CURBEOGLOHDHOV-BRWVUGGUSA-N 2 2 330.476 2.144 10 30 EEEELP C[C@@H]([NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1)c1cccc(C#N)c1O ZINC000866269315 1201481044 /nfs/dbraw/zinc/48/10/44/1201481044.db2.gz HUMSBCMKKKQEIX-CABCVRRESA-N 2 2 329.444 2.415 10 30 EEEELP C[N@H+](CCN1CC[NH+](Cc2ccccc2)CC1)Cc1cncc(C#N)c1 ZINC000930449764 1206558676 /nfs/dbraw/zinc/55/86/76/1206558676.db2.gz FGGRXQKFMAZRKT-UHFFFAOYSA-N 2 2 349.482 2.203 10 30 EEEELP C[N@@H+](CCN1CC[NH+](Cc2ccccc2)CC1)Cc1cncc(C#N)c1 ZINC000930449764 1206558677 /nfs/dbraw/zinc/55/86/77/1206558677.db2.gz FGGRXQKFMAZRKT-UHFFFAOYSA-N 2 2 349.482 2.203 10 30 EEEELP C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCc4c[nH+]cn4C3)C[C@@H]2C1 ZINC001489194263 1290435225 /nfs/dbraw/zinc/43/52/25/1290435225.db2.gz WLNRYUDINFFLLV-SQNIBIBYSA-N 2 2 342.487 2.192 10 30 EEEELP C=CCCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCc4c[nH+]cn4C3)C[C@@H]2C1 ZINC001489194263 1290435231 /nfs/dbraw/zinc/43/52/31/1290435231.db2.gz WLNRYUDINFFLLV-SQNIBIBYSA-N 2 2 342.487 2.192 10 30 EEEELP C#CCC[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)Cc1c[nH+]ccc1OC ZINC001490296698 1291132616 /nfs/dbraw/zinc/13/26/16/1291132616.db2.gz YVQZZBLRLPDNTP-RDJZCZTQSA-N 2 2 329.444 2.015 10 30 EEEELP O=C(NC[C@H]([NH2+]CC#Cc1ccccc1)C1CC1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001490674019 1291557090 /nfs/dbraw/zinc/55/70/90/1291557090.db2.gz OQPFEFNXUOWZRJ-QRVBRYPASA-N 2 2 348.450 2.049 10 30 EEEELP CC#CC[NH2+][C@@H]1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C[C@H]1CC ZINC001276740270 1297161119 /nfs/dbraw/zinc/16/11/19/1297161119.db2.gz OJIOGMLIZLWZQQ-IAGOWNOFSA-N 2 2 330.476 2.167 10 30 EEEELP C#CCN(C(=O)Cc1[nH]cc[nH+]1)C1CC[NH+](Cc2ccccc2)CC1 ZINC001278194521 1306244793 /nfs/dbraw/zinc/24/47/93/1306244793.db2.gz PEMFWRXSBBULBT-UHFFFAOYSA-N 2 2 336.439 2.079 10 30 EEEELP C=CCC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001280374276 1324183636 /nfs/dbraw/zinc/18/36/36/1324183636.db2.gz QUEDTOPWIPXCPX-QBPKDAKJSA-N 2 2 330.476 2.364 10 30 EEEELP C=CCCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)C(C)(C)C1 ZINC001276593077 1324681983 /nfs/dbraw/zinc/68/19/83/1324681983.db2.gz FVWNPJHHFVMXHJ-DOTOQJQBSA-N 2 2 330.476 2.238 10 30 EEEELP C=CCCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)C(C)(C)C1 ZINC001276593077 1324681989 /nfs/dbraw/zinc/68/19/89/1324681989.db2.gz FVWNPJHHFVMXHJ-DOTOQJQBSA-N 2 2 330.476 2.238 10 30 EEEELP C=CCOCC[NH2+]C1CC(N(C)C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001284781143 1326711166 /nfs/dbraw/zinc/71/11/66/1326711166.db2.gz LXKAYVLKEUMSFU-UHFFFAOYSA-N 2 2 331.460 2.402 10 30 EEEELP C=C(C)CC[NH2+]C[C@H]1CCCN(C(=O)Cc2c[nH+]ccc2OC)C1 ZINC001317155077 1332102832 /nfs/dbraw/zinc/10/28/32/1332102832.db2.gz ZJHIKYSNJNLYQO-MRXNPFEDSA-N 2 2 331.460 2.427 10 30 EEEELP C=CCC[N@@H+](C)CC1CCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC001317876581 1332439473 /nfs/dbraw/zinc/43/94/73/1332439473.db2.gz JQYQAZPLPMCSNL-KRWDZBQOSA-N 2 2 330.476 2.192 10 30 EEEELP C=CCC[N@H+](C)CC1CCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC001317876581 1332439475 /nfs/dbraw/zinc/43/94/75/1332439475.db2.gz JQYQAZPLPMCSNL-KRWDZBQOSA-N 2 2 330.476 2.192 10 30 EEEELP CC#CC[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001319849581 1332783751 /nfs/dbraw/zinc/78/37/51/1332783751.db2.gz PLCLNBUWHONANE-WMZOPIPTSA-N 2 2 342.487 2.002 10 30 EEEELP C=C(Br)C[NH2+]C/C=C\CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001321272129 1333060221 /nfs/dbraw/zinc/06/02/21/1333060221.db2.gz RSWHLORBIMCBFF-DHCBQETCSA-N 2 2 341.253 2.005 10 30 EEEELP CN(CCC[NH2+]CC#Cc1cccc(Cl)c1)C(=O)Cn1cc[nH+]c1 ZINC001322854598 1333342487 /nfs/dbraw/zinc/34/24/87/1333342487.db2.gz QVAPIUGQKOYDTP-UHFFFAOYSA-N 2 2 344.846 2.026 10 30 EEEELP C=C(C)C[NH2+][C@H](CCN(C)C(=O)[C@@H]1CCc2[nH+]ccn2C1)C(C)C ZINC001329742012 1334706686 /nfs/dbraw/zinc/70/66/86/1334706686.db2.gz KZKAJFBZTBKACJ-IAGOWNOFSA-N 2 2 332.492 2.484 10 30 EEEELP CCCCCCC[N@@H+]1CCO[C@]2(CCN(C(=O)Cc3c[nH+]c[nH]3)C2)C1 ZINC001330161012 1334790147 /nfs/dbraw/zinc/79/01/47/1334790147.db2.gz SFGYFJQJSKFMGM-LJQANCHMSA-N 2 2 348.491 2.226 10 30 EEEELP CCCCCCC[N@H+]1CCO[C@]2(CCN(C(=O)Cc3c[nH+]c[nH]3)C2)C1 ZINC001330161012 1334790151 /nfs/dbraw/zinc/79/01/51/1334790151.db2.gz SFGYFJQJSKFMGM-LJQANCHMSA-N 2 2 348.491 2.226 10 30 EEEELP CC#CC[N@@H+]1CCC[C@@H](NC(=O)C[NH+](C)Cc2ccccc2)[C@H]1C ZINC001332216323 1335769567 /nfs/dbraw/zinc/76/95/67/1335769567.db2.gz DRJCEGMOPUXBHL-IEBWSBKVSA-N 2 2 327.472 2.111 10 30 EEEELP CC#CC[N@H+]1CCC[C@@H](NC(=O)C[NH+](C)Cc2ccccc2)[C@H]1C ZINC001332216323 1335769571 /nfs/dbraw/zinc/76/95/71/1335769571.db2.gz DRJCEGMOPUXBHL-IEBWSBKVSA-N 2 2 327.472 2.111 10 30 EEEELP CC#CC[NH+]1CCC[C@@H](NC(=O)C[N@H+](C)Cc2ccccc2)[C@H]1C ZINC001332216323 1335769574 /nfs/dbraw/zinc/76/95/74/1335769574.db2.gz DRJCEGMOPUXBHL-IEBWSBKVSA-N 2 2 327.472 2.111 10 30 EEEELP CC#CC[NH+]1CCC[C@@H](NC(=O)C[N@@H+](C)Cc2ccccc2)[C@H]1C ZINC001332216323 1335769577 /nfs/dbraw/zinc/76/95/77/1335769577.db2.gz DRJCEGMOPUXBHL-IEBWSBKVSA-N 2 2 327.472 2.111 10 30 EEEELP C=CC[NH2+][C@@H]1CN(C(=O)CCCn2cc[nH+]c2)CC[C@H]1C(F)(F)F ZINC001333020015 1335948614 /nfs/dbraw/zinc/94/86/14/1335948614.db2.gz BSKAZYZQJGEIFO-ZIAGYGMSSA-N 2 2 344.381 2.218 10 30 EEEELP CC#CC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001566689624 1342603061 /nfs/dbraw/zinc/60/30/61/1342603061.db2.gz QUNSXDPQKSDFCO-QZTJIDSGSA-N 2 2 342.487 2.464 10 30 EEEELP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]2C[N@@H+](C)CC(=C)Cl)CC1 ZINC001570547975 1343081246 /nfs/dbraw/zinc/08/12/46/1343081246.db2.gz IZBINNWDAXPGIU-QGZVFWFLSA-N 2 2 337.895 2.007 10 30 EEEELP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]2C[N@H+](C)CC(=C)Cl)CC1 ZINC001570547975 1343081253 /nfs/dbraw/zinc/08/12/53/1343081253.db2.gz IZBINNWDAXPGIU-QGZVFWFLSA-N 2 2 337.895 2.007 10 30 EEEELP C#CC[N@H+](C)CCC[NH2+]Cc1nc(C(F)(F)F)n2c1CCCC2 ZINC001620953980 1349878736 /nfs/dbraw/zinc/87/87/36/1349878736.db2.gz DNPLHCRNHFRCKE-UHFFFAOYSA-N 2 2 328.382 2.283 10 30 EEEELP C#CC[N@@H+](C)CCC[NH2+]Cc1nc(C(F)(F)F)n2c1CCCC2 ZINC001620953980 1349878737 /nfs/dbraw/zinc/87/87/37/1349878737.db2.gz DNPLHCRNHFRCKE-UHFFFAOYSA-N 2 2 328.382 2.283 10 30 EEEELP C=CCC[NH+]1CCC(C)(CNC(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC001671842113 1356423882 /nfs/dbraw/zinc/42/38/82/1356423882.db2.gz CXDVMYRWDPNXDM-MRXNPFEDSA-N 2 2 330.476 2.240 10 30 EEEELP C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)Cc1c[nH+]cn1C)C2 ZINC001672356154 1356508822 /nfs/dbraw/zinc/50/88/22/1356508822.db2.gz OTPLEEMSSNHVJX-BJWYYQGGSA-N 2 2 330.476 2.288 10 30 EEEELP C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)Cc1c[nH+]cn1C)C2 ZINC001672356154 1356508825 /nfs/dbraw/zinc/50/88/25/1356508825.db2.gz OTPLEEMSSNHVJX-BJWYYQGGSA-N 2 2 330.476 2.288 10 30 EEEELP C=CCCC[NH2+][C@@H](C)[C@@H]1CN(C(=O)c2cccc3[nH+]ccn32)CCO1 ZINC001675604157 1357012868 /nfs/dbraw/zinc/01/28/68/1357012868.db2.gz BOSRJLZQOBEVGR-RDJZCZTQSA-N 2 2 342.443 2.120 10 30 EEEELP C=CCC[C@@H](C)[N@H+]1C[C@H]2CN(C(=O)[C@H]3CCc4[nH+]ccn4C3)C[C@H]2C1 ZINC001699989160 1405641470 /nfs/dbraw/zinc/64/14/70/1405641470.db2.gz GSMKQWSWZSGPRZ-XDNAFOTISA-N 2 2 342.487 2.190 10 30 EEEELP C=CCC[C@@H](C)[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CCc4[nH+]ccn4C3)C[C@H]2C1 ZINC001699989160 1405641477 /nfs/dbraw/zinc/64/14/77/1405641477.db2.gz GSMKQWSWZSGPRZ-XDNAFOTISA-N 2 2 342.487 2.190 10 30 EEEELP C=CCc1ccc(OC[C@H](O)C[NH2+][C@H]2CC[NH2+]C23CCC3)c(OC)c1 ZINC000923397130 789492927 /nfs/dbraw/zinc/49/29/27/789492927.db2.gz AGVFBGKRCSMECS-APWZRJJASA-N 2 2 346.471 2.038 10 30 EEEELP CC(C)N(CC[N@H+](C)Cc1cccc(C#N)c1)C(=O)Cn1cc[nH+]c1 ZINC001442135821 1096379630 /nfs/dbraw/zinc/37/96/30/1096379630.db2.gz ZJVFEQNVPHGGBT-UHFFFAOYSA-N 2 2 339.443 2.124 10 30 EEEELP CC(C)N(CC[N@@H+](C)Cc1cccc(C#N)c1)C(=O)Cn1cc[nH+]c1 ZINC001442135821 1096379639 /nfs/dbraw/zinc/37/96/39/1096379639.db2.gz ZJVFEQNVPHGGBT-UHFFFAOYSA-N 2 2 339.443 2.124 10 30 EEEELP CC#CC[NH2+][C@@H](C)[C@H]1CCN(C(=O)Cc2cn3cccc(C)c3[nH+]2)C1 ZINC001501075978 1113190251 /nfs/dbraw/zinc/19/02/51/1113190251.db2.gz KPLJBGJOXBFYIW-IRXDYDNUSA-N 2 2 338.455 2.035 10 30 EEEELP CC(C)(C)c1cn2c([nH+]1)CC[C@H]([NH+]=C([O-])N1CC[N@@H+]3CCC[C@@H]3C1)C2 ZINC000329423315 539774239 /nfs/dbraw/zinc/77/42/39/539774239.db2.gz FZKUKHAADDUTKO-LSDHHAIUSA-N 2 2 345.491 2.189 10 30 EEEELP CC(C)(C)c1cn2c([nH+]1)CC[C@H]([NH+]=C([O-])N1CC[N@H+]3CCC[C@@H]3C1)C2 ZINC000329423315 539774242 /nfs/dbraw/zinc/77/42/42/539774242.db2.gz FZKUKHAADDUTKO-LSDHHAIUSA-N 2 2 345.491 2.189 10 30 EEEELP N#Cc1ccsc1N1CC[C@@H]([NH+]2CCC(c3c[nH]c[nH+]3)CC2)C1=O ZINC000374208799 154004041 /nfs/dbraw/zinc/00/40/41/154004041.db2.gz NFLFRFRCVQWGBF-OAHLLOKOSA-N 2 2 341.440 2.328 10 30 EEEELP C=CCCC[N@@H+](C)CC(=O)N1CC[NH+](Cc2ccc(OC)cc2)CC1 ZINC000076733678 462905023 /nfs/dbraw/zinc/90/50/23/462905023.db2.gz LBRNSSGUFGJRTF-UHFFFAOYSA-N 2 2 345.487 2.237 10 30 EEEELP C=CCCC[N@H+](C)CC(=O)N1CC[NH+](Cc2ccc(OC)cc2)CC1 ZINC000076733678 462905028 /nfs/dbraw/zinc/90/50/28/462905028.db2.gz LBRNSSGUFGJRTF-UHFFFAOYSA-N 2 2 345.487 2.237 10 30 EEEELP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2oc(C)c(C)c2C#N)[C@@H](C)C1 ZINC000246846378 464626915 /nfs/dbraw/zinc/62/69/15/464626915.db2.gz OXVGZNGESRPEOX-BLLLJJGKSA-N 2 2 332.448 2.369 10 30 EEEELP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2oc(C)c(C)c2C#N)[C@@H](C)C1 ZINC000246846378 464626921 /nfs/dbraw/zinc/62/69/21/464626921.db2.gz OXVGZNGESRPEOX-BLLLJJGKSA-N 2 2 332.448 2.369 10 30 EEEELP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)Nc2oc(C)c(C)c2C#N)[C@@H](C)C1 ZINC000246846378 464626925 /nfs/dbraw/zinc/62/69/25/464626925.db2.gz OXVGZNGESRPEOX-BLLLJJGKSA-N 2 2 332.448 2.369 10 30 EEEELP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)Nc2oc(C)c(C)c2C#N)[C@@H](C)C1 ZINC000246846378 464626930 /nfs/dbraw/zinc/62/69/30/464626930.db2.gz OXVGZNGESRPEOX-BLLLJJGKSA-N 2 2 332.448 2.369 10 30 EEEELP Cc1cccn2c(NC(=O)N(CCC#N)CCC[NH+](C)C)c[nH+]c12 ZINC000597081179 468436936 /nfs/dbraw/zinc/43/69/36/468436936.db2.gz PMESXYKUUSZOFF-UHFFFAOYSA-N 2 2 328.420 2.342 10 30 EEEELP Cc1ccnc(N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)c1C#N ZINC000368610098 466689008 /nfs/dbraw/zinc/68/90/08/466689008.db2.gz DARGWEIOIWAVCB-SJPCQFCGSA-N 2 2 325.460 2.009 10 30 EEEELP Cc1ccnc(N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)c1C#N ZINC000368610098 466689012 /nfs/dbraw/zinc/68/90/12/466689012.db2.gz DARGWEIOIWAVCB-SJPCQFCGSA-N 2 2 325.460 2.009 10 30 EEEELP CCc1ccc(C[NH+]2CCN(C(=O)[C@H]([NH3+])CCCCC#N)CC2)s1 ZINC000594438828 468587595 /nfs/dbraw/zinc/58/75/95/468587595.db2.gz PYOSOWMNIMBECV-QGZVFWFLSA-N 2 2 348.516 2.366 10 30 EEEELP COC[C@@H](CC[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)OC ZINC000594954981 468731544 /nfs/dbraw/zinc/73/15/44/468731544.db2.gz JBWWVMWRFHZRMS-LJQANCHMSA-N 2 2 331.460 2.164 10 30 EEEELP C=CC[NH+](CC=C)[C@H](CNC(=O)N[C@H](C)c1[nH+]ccn1C)C(C)C ZINC000662101051 471986571 /nfs/dbraw/zinc/98/65/71/471986571.db2.gz QSSICWCCJJMYGN-HZPDHXFCSA-N 2 2 333.480 2.479 10 30 EEEELP O=C1/C(=C/c2[nH]cc[nH+]2)CC(O)(C(F)(F)F)C/C1=C\c1[nH]cc[nH+]1 ZINC000764431966 577735894 /nfs/dbraw/zinc/73/58/94/577735894.db2.gz HRMHSOKNRGYHLQ-NXZHAISVSA-N 2 2 338.289 2.256 10 30 EEEELP CC[C@H]([NH2+]CCN1CCC([NH+](C)C)CC1)c1cccc(C#N)c1O ZINC000925216278 687575296 /nfs/dbraw/zinc/57/52/96/687575296.db2.gz RVOKQYNHKSCXOS-SFHVURJKSA-N 2 2 330.476 2.331 10 30 EEEELP CN(C[C@@H]1CC[N@@H+]1CC#Cc1ccc(Cl)cc1)C(=O)CC[NH+](C)C ZINC001691059594 1177479991 /nfs/dbraw/zinc/47/99/91/1177479991.db2.gz XKTJHBDLFOJXKC-SFHVURJKSA-N 2 2 347.890 2.176 10 30 EEEELP CN(C[C@@H]1CC[N@H+]1CC#Cc1ccc(Cl)cc1)C(=O)CC[NH+](C)C ZINC001691059594 1177479997 /nfs/dbraw/zinc/47/99/97/1177479997.db2.gz XKTJHBDLFOJXKC-SFHVURJKSA-N 2 2 347.890 2.176 10 30 EEEELP C=CC[N@@H+]1CCC[C@@H]1CCCNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001267168616 1178385959 /nfs/dbraw/zinc/38/59/59/1178385959.db2.gz VNWFHEGDBOFXLZ-KRWDZBQOSA-N 2 2 330.476 2.309 10 30 EEEELP C=CC[N@H+]1CCC[C@@H]1CCCNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001267168616 1178385967 /nfs/dbraw/zinc/38/59/67/1178385967.db2.gz VNWFHEGDBOFXLZ-KRWDZBQOSA-N 2 2 330.476 2.309 10 30 EEEELP C=C(C)C[NH2+]CCC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001267915889 1180759033 /nfs/dbraw/zinc/75/90/33/1180759033.db2.gz QCIHUGOXZLWJCE-IAGOWNOFSA-N 2 2 330.476 2.318 10 30 EEEELP C=CCC[NH2+][C@@H](CNC(=O)[C@@H]1CCc2c[nH+]cn2C1)c1ccccc1 ZINC001481366285 1181135230 /nfs/dbraw/zinc/13/52/30/1181135230.db2.gz WNFKXCFNZKRZKN-MJGOQNOKSA-N 2 2 338.455 2.469 10 30 EEEELP CC#CC[NH2+]CC[C@H]1CCCN(C(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001269737905 1184570990 /nfs/dbraw/zinc/57/09/90/1184570990.db2.gz NAGUXKCLJCMROV-QGZVFWFLSA-N 2 2 342.487 2.004 10 30 EEEELP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@]1(C)CCC[NH+](C/C=C/Cl)C1 ZINC001270965579 1185776876 /nfs/dbraw/zinc/77/68/76/1185776876.db2.gz LIMNXLVQEABBGT-YKLDRSPPSA-N 2 2 337.895 2.055 10 30 EEEELP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@]1(C)CCC[NH+](C/C=C/Cl)C1 ZINC001270965579 1185776880 /nfs/dbraw/zinc/77/68/80/1185776880.db2.gz LIMNXLVQEABBGT-YKLDRSPPSA-N 2 2 337.895 2.055 10 30 EEEELP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@]1(C)CCC[N@H+](C/C=C/Cl)C1 ZINC001270965579 1185776885 /nfs/dbraw/zinc/77/68/85/1185776885.db2.gz LIMNXLVQEABBGT-YKLDRSPPSA-N 2 2 337.895 2.055 10 30 EEEELP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@]1(C)CCC[N@@H+](C/C=C/Cl)C1 ZINC001270965579 1185776889 /nfs/dbraw/zinc/77/68/89/1185776889.db2.gz LIMNXLVQEABBGT-YKLDRSPPSA-N 2 2 337.895 2.055 10 30 EEEELP C=C(C)CC[N@@H+]1CCOC[C@H]1CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001280406348 1186312705 /nfs/dbraw/zinc/31/27/05/1186312705.db2.gz NKHFAKFNUMKRGC-QGZVFWFLSA-N 2 2 337.508 2.034 10 30 EEEELP C=C(C)CC[N@H+]1CCOC[C@H]1CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001280406348 1186312710 /nfs/dbraw/zinc/31/27/10/1186312710.db2.gz NKHFAKFNUMKRGC-QGZVFWFLSA-N 2 2 337.508 2.034 10 30 EEEELP C=CC[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001271705564 1186385206 /nfs/dbraw/zinc/38/52/06/1186385206.db2.gz OVSVAPGVMNHDOG-WBVHZDCISA-N 2 2 330.476 2.165 10 30 EEEELP C#CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H](CC(C)C)n1cc[nH+]c1)C2 ZINC001271736473 1186444494 /nfs/dbraw/zinc/44/44/94/1186444494.db2.gz LMFYXNKPMXJNET-FCGDIQPGSA-N 2 2 342.487 2.463 10 30 EEEELP C#CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H](CC(C)C)n1cc[nH+]c1)C2 ZINC001271736473 1186444498 /nfs/dbraw/zinc/44/44/98/1186444498.db2.gz LMFYXNKPMXJNET-FCGDIQPGSA-N 2 2 342.487 2.463 10 30 EEEELP C=CC[NH2+]CCN(Cc1ccccc1)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001271811990 1186511530 /nfs/dbraw/zinc/51/15/30/1186511530.db2.gz CBZFXOSASYXLGB-GOSISDBHSA-N 2 2 338.455 2.250 10 30 EEEELP C=C(C)CC[NH2+]CC[C@@H]1CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001272474956 1190840573 /nfs/dbraw/zinc/84/05/73/1190840573.db2.gz LEPUYZJBQANFND-IAGOWNOFSA-N 2 2 330.476 2.240 10 30 EEEELP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2cc(C#N)ccc2N(C)C)C[C@H](C)O1 ZINC000865406158 1198200567 /nfs/dbraw/zinc/20/05/67/1198200567.db2.gz KFFPJYDZPNJHTL-IYBDPMFKSA-N 2 2 330.476 2.213 10 30 EEEELP C[C@@H]1C[N@H+](CCC[NH2+]Cc2cc(C#N)ccc2N(C)C)C[C@H](C)O1 ZINC000865406158 1198200570 /nfs/dbraw/zinc/20/05/70/1198200570.db2.gz KFFPJYDZPNJHTL-IYBDPMFKSA-N 2 2 330.476 2.213 10 30 EEEELP C#CCC1([NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)CCOCC1 ZINC000887122144 1204208832 /nfs/dbraw/zinc/20/88/32/1204208832.db2.gz MLQMCKKVXVOXHZ-UHFFFAOYSA-N 2 2 328.456 2.181 10 30 EEEELP CC#CC[NH+]1CCC2(CCN(C(=O)CCCn3cc[nH+]c3)CC2)CC1 ZINC001274885224 1205196804 /nfs/dbraw/zinc/19/68/04/1205196804.db2.gz GAWNNBWPFZFGAE-UHFFFAOYSA-N 2 2 342.487 2.391 10 30 EEEELP C=CCCC[NH2+]Cc1nc2c(s1)CCN(C(=O)Cc1[nH]cc[nH+]1)C2 ZINC001264190988 1322656978 /nfs/dbraw/zinc/65/69/78/1322656978.db2.gz BJGWOMSECYVYQR-UHFFFAOYSA-N 2 2 345.472 2.049 10 30 EEEELP CC#CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001281071098 1324751788 /nfs/dbraw/zinc/75/17/88/1324751788.db2.gz JCCIWMJIGCRFAV-WOJBJXKFSA-N 2 2 341.499 2.139 10 30 EEEELP CC#CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001281071098 1324751791 /nfs/dbraw/zinc/75/17/91/1324751791.db2.gz JCCIWMJIGCRFAV-WOJBJXKFSA-N 2 2 341.499 2.139 10 30 EEEELP C=C(C)CC[NH2+]C[C@@H]1CCCN(C(=O)Cc2c[nH+]ccc2OC)C1 ZINC001317155075 1332103033 /nfs/dbraw/zinc/10/30/33/1332103033.db2.gz ZJHIKYSNJNLYQO-INIZCTEOSA-N 2 2 331.460 2.427 10 30 EEEELP C=CCCC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001317179246 1332116827 /nfs/dbraw/zinc/11/68/27/1332116827.db2.gz RBTWFBHVJZTQTD-GVDBMIGSSA-N 2 2 330.476 2.461 10 30 EEEELP C=CCCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001317179246 1332116828 /nfs/dbraw/zinc/11/68/28/1332116828.db2.gz RBTWFBHVJZTQTD-GVDBMIGSSA-N 2 2 330.476 2.461 10 30 EEEELP C=CCC[C@H](C)[NH+]1CC(N(C)C(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001323981405 1333583064 /nfs/dbraw/zinc/58/30/64/1333583064.db2.gz LSVIPESDQFEPQB-HNNXBMFYSA-N 2 2 346.475 2.381 10 30 EEEELP C=CCC[C@H](C)[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CCc4c[nH+]cn4C3)C[C@H]2C1 ZINC001325752907 1333953582 /nfs/dbraw/zinc/95/35/82/1333953582.db2.gz DNNXNQUGQMWMBY-XWTMOSNGSA-N 2 2 342.487 2.190 10 30 EEEELP C=CCC[C@H](C)[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CCc4c[nH+]cn4C3)C[C@H]2C1 ZINC001325752907 1333953584 /nfs/dbraw/zinc/95/35/84/1333953584.db2.gz DNNXNQUGQMWMBY-XWTMOSNGSA-N 2 2 342.487 2.190 10 30 EEEELP C=CCC[N@@H+](C)C[C@H]1CCCN1C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001328736870 1334510923 /nfs/dbraw/zinc/51/09/23/1334510923.db2.gz LJKGUDHMCONZRO-QGZVFWFLSA-N 2 2 330.476 2.261 10 30 EEEELP C=CCC[N@H+](C)C[C@H]1CCCN1C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001328736870 1334510925 /nfs/dbraw/zinc/51/09/25/1334510925.db2.gz LJKGUDHMCONZRO-QGZVFWFLSA-N 2 2 330.476 2.261 10 30 EEEELP C=CCCC[NH2+][C@@H](C)[C@H]1CN(C(=O)C(C)(C)n2c[nH+]c(C)c2)CCO1 ZINC001330401151 1334836699 /nfs/dbraw/zinc/83/66/99/1334836699.db2.gz GDWXEBCJEBBADY-DLBZAZTESA-N 2 2 348.491 2.098 10 30 EEEELP C[C@@H](CCC[NH2+]CC#Cc1ccccc1)NC(=O)CCn1cc[nH+]c1 ZINC001330883759 1334921208 /nfs/dbraw/zinc/92/12/08/1334921208.db2.gz ROFRUABIKZSQNF-SFHVURJKSA-N 2 2 338.455 2.199 10 30 EEEELP C=CCC[NH2+]C[C@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)C[C@@H]1C(F)(F)F ZINC001332468320 1335830781 /nfs/dbraw/zinc/83/07/81/1335830781.db2.gz FMCGVSWJKDFODQ-STQMWFEESA-N 2 2 344.381 2.063 10 30 EEEELP C=CC[NH2+][C@@H]1CN(C(=O)CCCn2cc[nH+]c2)CC[C@@H]1C(F)(F)F ZINC001333020014 1335948811 /nfs/dbraw/zinc/94/88/11/1335948811.db2.gz BSKAZYZQJGEIFO-UONOGXRCSA-N 2 2 344.381 2.218 10 30 EEEELP C=C(C)CC[NH+]1CC([C@H](C)NC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001506623352 1342288279 /nfs/dbraw/zinc/28/82/79/1342288279.db2.gz QTSPZSSYTSIOAK-HNNXBMFYSA-N 2 2 330.476 2.165 10 30 EEEELP C=CCCC[N@@H+]1CC[C@@H](CCNC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001567703800 1342815917 /nfs/dbraw/zinc/81/59/17/1342815917.db2.gz ZKHNUGITZYXMOX-IAGOWNOFSA-N 2 2 330.476 2.240 10 30 EEEELP C=CCCC[N@H+]1CC[C@@H](CCNC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001567703800 1342815919 /nfs/dbraw/zinc/81/59/19/1342815919.db2.gz ZKHNUGITZYXMOX-IAGOWNOFSA-N 2 2 330.476 2.240 10 30 EEEELP C=CCCC[N@@H+]1CC[C@H](CCNC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001567703799 1342816471 /nfs/dbraw/zinc/81/64/71/1342816471.db2.gz ZKHNUGITZYXMOX-DLBZAZTESA-N 2 2 330.476 2.240 10 30 EEEELP C=CCCC[N@H+]1CC[C@H](CCNC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001567703799 1342816474 /nfs/dbraw/zinc/81/64/74/1342816474.db2.gz ZKHNUGITZYXMOX-DLBZAZTESA-N 2 2 330.476 2.240 10 30 EEEELP C=CCCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC001570179040 1343027819 /nfs/dbraw/zinc/02/78/19/1343027819.db2.gz FLWIZCVTGIRSBV-IAGOWNOFSA-N 2 2 330.476 2.382 10 30 EEEELP C=CCCC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC001570179040 1343027820 /nfs/dbraw/zinc/02/78/20/1343027820.db2.gz FLWIZCVTGIRSBV-IAGOWNOFSA-N 2 2 330.476 2.382 10 30 EEEELP C=CCCC[N@@H+]1CC[C@@H](CNC(=O)[C@H]2COCC[NH+]2C2CCCC2)C1 ZINC001663612982 1355001252 /nfs/dbraw/zinc/00/12/52/1355001252.db2.gz KGXGCIQNDBYEAS-PKOBYXMFSA-N 2 2 349.519 2.034 10 30 EEEELP C=CCCC[N@H+]1CC[C@@H](CNC(=O)[C@H]2COCC[NH+]2C2CCCC2)C1 ZINC001663612982 1355001257 /nfs/dbraw/zinc/00/12/57/1355001257.db2.gz KGXGCIQNDBYEAS-PKOBYXMFSA-N 2 2 349.519 2.034 10 30 EEEELP C=CCCC[NH+]1CC[C@@H](CNC(=O)[C@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC001663612982 1355001264 /nfs/dbraw/zinc/00/12/64/1355001264.db2.gz KGXGCIQNDBYEAS-PKOBYXMFSA-N 2 2 349.519 2.034 10 30 EEEELP C=CCCC[NH+]1CC[C@@H](CNC(=O)[C@H]2COCC[N@H+]2C2CCCC2)C1 ZINC001663612982 1355001271 /nfs/dbraw/zinc/00/12/71/1355001271.db2.gz KGXGCIQNDBYEAS-PKOBYXMFSA-N 2 2 349.519 2.034 10 30 EEEELP C#CC[NH+]1Cc2ccccc2C[C@@H]1CNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001673634142 1356721105 /nfs/dbraw/zinc/72/11/05/1356721105.db2.gz OFWAZRDLXLIOGB-LJQANCHMSA-N 2 2 341.499 2.141 10 30 EEEELP C#CC[NH+]1Cc2ccccc2C[C@@H]1CNC(=O)C[N@H+](C)CC(C)(C)C ZINC001673634142 1356721106 /nfs/dbraw/zinc/72/11/06/1356721106.db2.gz OFWAZRDLXLIOGB-LJQANCHMSA-N 2 2 341.499 2.141 10 30 EEEELP C#CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)C[NH+](C)CC(C)(C)C ZINC001673634142 1356721109 /nfs/dbraw/zinc/72/11/09/1356721109.db2.gz OFWAZRDLXLIOGB-LJQANCHMSA-N 2 2 341.499 2.141 10 30 EEEELP C#CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)C[NH+](C)CC(C)(C)C ZINC001673634142 1356721112 /nfs/dbraw/zinc/72/11/12/1356721112.db2.gz OFWAZRDLXLIOGB-LJQANCHMSA-N 2 2 341.499 2.141 10 30 EEEELP C=CCCC[N@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001698580822 1404900567 /nfs/dbraw/zinc/90/05/67/1404900567.db2.gz KUAZXUMUOUOWJH-DLBZAZTESA-N 2 2 330.476 2.335 10 30 EEEELP C=CCCC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001698580822 1404900569 /nfs/dbraw/zinc/90/05/69/1404900569.db2.gz KUAZXUMUOUOWJH-DLBZAZTESA-N 2 2 330.476 2.335 10 30 EEEELP C=C(Cl)C[NH+]1CC[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C(C)(C)C1 ZINC000940842359 779399076 /nfs/dbraw/zinc/39/90/76/779399076.db2.gz DTWBPRAVZLWULC-LSDHHAIUSA-N 2 2 327.900 2.440 10 30 EEEELP C=C(Cl)C[NH+]1CC[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C(C)(C)C1 ZINC000940842359 779399081 /nfs/dbraw/zinc/39/90/81/779399081.db2.gz DTWBPRAVZLWULC-LSDHHAIUSA-N 2 2 327.900 2.440 10 30 EEEELP C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)C(C)(C)C1 ZINC000940842359 779399091 /nfs/dbraw/zinc/39/90/91/779399091.db2.gz DTWBPRAVZLWULC-LSDHHAIUSA-N 2 2 327.900 2.440 10 30 EEEELP C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)C(C)(C)C1 ZINC000940842359 779399096 /nfs/dbraw/zinc/39/90/96/779399096.db2.gz DTWBPRAVZLWULC-LSDHHAIUSA-N 2 2 327.900 2.440 10 30 EEEELP C#CC[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001565984826 1125482833 /nfs/dbraw/zinc/48/28/33/1125482833.db2.gz JQYLQXFXMYVGGI-KZNAEPCWSA-N 2 2 342.487 2.076 10 30 EEEELP CC#CC[N@@H+]1CC[C@H](NC(=O)C[C@H](C)n2cc[nH+]c2)CC(C)(C)C1 ZINC001566131326 1125583852 /nfs/dbraw/zinc/58/38/52/1125583852.db2.gz KHDILKFSKSIQKF-IRXDYDNUSA-N 2 2 330.476 2.464 10 30 EEEELP CC#CC[N@H+]1CC[C@H](NC(=O)C[C@H](C)n2cc[nH+]c2)CC(C)(C)C1 ZINC001566131326 1125583858 /nfs/dbraw/zinc/58/38/58/1125583858.db2.gz KHDILKFSKSIQKF-IRXDYDNUSA-N 2 2 330.476 2.464 10 30 EEEELP C=CCC[NH2+]C[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CC[C@H]1C(F)(F)F ZINC001479626008 1098650564 /nfs/dbraw/zinc/65/05/64/1098650564.db2.gz SMFPXOUSKLESJS-GXTWGEPZSA-N 2 2 344.381 2.145 10 30 EEEELP C=CCC[NH2+]C[C@H]1CCN(C(=O)Cc2cn3cccc(C)c3[nH+]2)C1 ZINC001480673122 1106859658 /nfs/dbraw/zinc/85/96/58/1106859658.db2.gz XLRLWJHRBSUJPR-MRXNPFEDSA-N 2 2 326.444 2.199 10 30 EEEELP C=CCCC[N@H+]1CC[C@H](N(CC)C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001567939025 1124194626 /nfs/dbraw/zinc/19/46/26/1124194626.db2.gz MUUZQVLJBXLDLE-IRXDYDNUSA-N 2 2 330.476 2.335 10 30 EEEELP C=CCCC[N@@H+]1CC[C@H](N(CC)C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001567939025 1124194628 /nfs/dbraw/zinc/19/46/28/1124194628.db2.gz MUUZQVLJBXLDLE-IRXDYDNUSA-N 2 2 330.476 2.335 10 30 EEEELP CC(C)[NH+]1CCN(C([O-])=[NH+][C@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)CC1 ZINC000329206104 539768736 /nfs/dbraw/zinc/76/87/36/539768736.db2.gz DQSPMUUKFJIWOJ-HNNXBMFYSA-N 2 2 347.507 2.435 10 30 EEEELP C=CCC[C@@H](C[NH+]1CCOCC1)Oc1ccc(Cn2cc[nH+]c2)cn1 ZINC000072457238 216242519 /nfs/dbraw/zinc/24/25/19/216242519.db2.gz AIVOQDOPAPJROC-SFHVURJKSA-N 2 2 342.443 2.372 10 30 EEEELP Cc1cc(NCc2ccc(N3CC[NH+](C)CC3)nc2)c(C#N)c(C)[nH+]1 ZINC000301810264 267348740 /nfs/dbraw/zinc/34/87/40/267348740.db2.gz ZBAADZXYKOCJFC-UHFFFAOYSA-N 2 2 336.443 2.329 10 30 EEEELP C=CCCCCNC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000368408774 466626907 /nfs/dbraw/zinc/62/69/07/466626907.db2.gz FHOULGNFNPCNEZ-JWTNVVGKSA-N 2 2 334.508 2.295 10 30 EEEELP C=CCCCCNC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000368408774 466626910 /nfs/dbraw/zinc/62/69/10/466626910.db2.gz FHOULGNFNPCNEZ-JWTNVVGKSA-N 2 2 334.508 2.295 10 30 EEEELP C[C@@H](C(=O)NC1(C#N)CCCCC1)[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000374208773 467032319 /nfs/dbraw/zinc/03/23/19/467032319.db2.gz NAUGLPINORGASM-AWEZNQCLSA-N 2 2 329.448 2.320 10 30 EEEELP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+]CCOc1ccc(C#N)cc1 ZINC000591745267 468513032 /nfs/dbraw/zinc/51/30/32/468513032.db2.gz CZCHNBAYSRIJIG-LJQANCHMSA-N 2 2 339.439 2.020 10 30 EEEELP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+]CCOc1ccc(C#N)cc1 ZINC000591745267 468513035 /nfs/dbraw/zinc/51/30/35/468513035.db2.gz CZCHNBAYSRIJIG-LJQANCHMSA-N 2 2 339.439 2.020 10 30 EEEELP N#Cc1ccc(C[NH+]2CCC([NH2+][C@H]3C[C@H](O)C34CCC4)CC2)cc1 ZINC000594990342 468739357 /nfs/dbraw/zinc/73/93/57/468739357.db2.gz XJGPQMXJCSDWMP-OALUTQOASA-N 2 2 325.456 2.416 10 30 EEEELP C=CC[C@@H]1CC[C@H]([NH2+]CCC[NH+]2CCN(c3ncccn3)CC2)C1 ZINC000651674661 471080419 /nfs/dbraw/zinc/08/04/19/471080419.db2.gz ZGLXUOSFLGNTNR-MSOLQXFVSA-N 2 2 329.492 2.323 10 30 EEEELP C#CC[NH+]1CCC(C(=O)N[C@H](C)c2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000173919873 526930417 /nfs/dbraw/zinc/93/04/17/526930417.db2.gz QMEUNYGZESAAAV-MRXNPFEDSA-N 2 2 336.439 2.395 10 30 EEEELP COC(=O)c1cc(CO[NH+]=C(N)c2ccc(C[NH+](C)C)cc2)c(C)o1 ZINC000747839036 577951150 /nfs/dbraw/zinc/95/11/50/577951150.db2.gz WVNYBULSJWHYIP-UHFFFAOYSA-N 2 2 345.399 2.273 10 30 EEEELP C=CCCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)C(C)(C)C1 ZINC001485570984 1191840118 /nfs/dbraw/zinc/84/01/18/1191840118.db2.gz XSWFRKMOIUGVGY-JKSUJKDBSA-N 2 2 330.476 2.238 10 30 EEEELP C=CCCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)C(C)(C)C1 ZINC001485570984 1191840119 /nfs/dbraw/zinc/84/01/19/1191840119.db2.gz XSWFRKMOIUGVGY-JKSUJKDBSA-N 2 2 330.476 2.238 10 30 EEEELP C=C(Br)C[NH+]1C[C@@H](NC(=O)CC[N@@H+](C)CC)C(C)(C)C1 ZINC001485579555 1191847040 /nfs/dbraw/zinc/84/70/40/1191847040.db2.gz PQGCQICSVDJUMW-CYBMUJFWSA-N 2 2 346.313 2.063 10 30 EEEELP C=C(Br)C[NH+]1C[C@@H](NC(=O)CC[N@H+](C)CC)C(C)(C)C1 ZINC001485579555 1191847042 /nfs/dbraw/zinc/84/70/42/1191847042.db2.gz PQGCQICSVDJUMW-CYBMUJFWSA-N 2 2 346.313 2.063 10 30 EEEELP C=C(Br)C[N@H+]1C[C@@H](NC(=O)CC[NH+](C)CC)C(C)(C)C1 ZINC001485579555 1191847044 /nfs/dbraw/zinc/84/70/44/1191847044.db2.gz PQGCQICSVDJUMW-CYBMUJFWSA-N 2 2 346.313 2.063 10 30 EEEELP C=C(Br)C[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)CC)C(C)(C)C1 ZINC001485579555 1191847046 /nfs/dbraw/zinc/84/70/46/1191847046.db2.gz PQGCQICSVDJUMW-CYBMUJFWSA-N 2 2 346.313 2.063 10 30 EEEELP C=C(C)C[NH2+][C@H](CCNC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1)C(C)C ZINC001485785579 1191951729 /nfs/dbraw/zinc/95/17/29/1191951729.db2.gz IQZQDIAATQQSPN-CRAIPNDOSA-N 2 2 347.507 2.487 10 30 EEEELP C=C(C)C[NH2+][C@H](CCNC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1)C(C)C ZINC001485785579 1191951732 /nfs/dbraw/zinc/95/17/32/1191951732.db2.gz IQZQDIAATQQSPN-CRAIPNDOSA-N 2 2 347.507 2.487 10 30 EEEELP C=CCC[NH2+]C[C@@H](C1CC1)N(C)C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001485812156 1191973456 /nfs/dbraw/zinc/97/34/56/1191973456.db2.gz USVYIMBXTGHUDL-KRWDZBQOSA-N 2 2 330.476 2.165 10 30 EEEELP CC#CC[NH+]1CCC(N(CCC)C(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC001266388876 1176462332 /nfs/dbraw/zinc/46/23/32/1176462332.db2.gz UXFSLEXVPLSRIT-QGZVFWFLSA-N 2 2 342.487 2.172 10 30 EEEELP C=CCCC[NH2+]C1CCC(NC(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC001266911979 1177784281 /nfs/dbraw/zinc/78/42/81/1177784281.db2.gz QGYBPVGSJNGRDE-KLAILNCOSA-N 2 2 330.476 2.429 10 30 EEEELP C=CCCC[NH2+]CC1(NC(=O)[C@@H]2CCc3c[nH+]cn3C2)CCCC1 ZINC001267839270 1180612984 /nfs/dbraw/zinc/61/29/84/1180612984.db2.gz LSHBDOBJOVMMBZ-MRXNPFEDSA-N 2 2 330.476 2.430 10 30 EEEELP C[NH+](C)[C@H]1CCC[C@H](C(=O)N2CCC([N@H+](CC#N)CC3CC3)CC2)C1 ZINC001269632762 1184457786 /nfs/dbraw/zinc/45/77/86/1184457786.db2.gz MKFYNKVUFMCSAR-HKUYNNGSSA-N 2 2 346.519 2.333 10 30 EEEELP C[NH+](C)[C@H]1CCC[C@H](C(=O)N2CCC([N@@H+](CC#N)CC3CC3)CC2)C1 ZINC001269632762 1184457789 /nfs/dbraw/zinc/45/77/89/1184457789.db2.gz MKFYNKVUFMCSAR-HKUYNNGSSA-N 2 2 346.519 2.333 10 30 EEEELP C[C@H](C[NH2+]Cc1ccc(C#N)cc1)N(C)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001482339008 1185437150 /nfs/dbraw/zinc/43/71/50/1185437150.db2.gz RXQJVSUVOCZUFL-HZPDHXFCSA-N 2 2 339.443 2.343 10 30 EEEELP CC#CC[NH2+]C[C@@H](CC(C)C)NC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001271261512 1186110567 /nfs/dbraw/zinc/11/05/67/1186110567.db2.gz MOKJQDUOHHYQFV-QGZVFWFLSA-N 2 2 326.444 2.400 10 30 EEEELP C#CCC[NH2+][C@@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C[C@@H]1C ZINC001271416540 1186203493 /nfs/dbraw/zinc/20/34/93/1186203493.db2.gz LVPDDHWMPXBXAF-QFBILLFUSA-N 2 2 336.439 2.336 10 30 EEEELP C[NH+]1CCC([NH+]2CCC(NC(=O)c3sccc3CC#N)CC2)CC1 ZINC000865064721 1198070298 /nfs/dbraw/zinc/07/02/98/1198070298.db2.gz YYWBNVSWZFXPNJ-UHFFFAOYSA-N 2 2 346.500 2.103 10 30 EEEELP C#CCN(C(=O)c1cccc(Cn2cc[nH+]c2)c1)C1CC[NH+](C)CC1 ZINC000886577481 1202526554 /nfs/dbraw/zinc/52/65/54/1202526554.db2.gz KATRGNPDEGOSPP-UHFFFAOYSA-N 2 2 336.439 2.101 10 30 EEEELP C[C@H](CC(=O)NC/C=C\C[NH2+]CC#Cc1ccccc1)n1cc[nH+]c1 ZINC001274404891 1205025098 /nfs/dbraw/zinc/02/50/98/1205025098.db2.gz QZYNLDRRLLMPCK-OOFWQKGWSA-N 2 2 336.439 2.148 10 30 EEEELP O=C(C[NH+]1CCCC1)NC[C@@H]1CCCC[N@@H+]1CC#Cc1ccccc1 ZINC001491236085 1258825551 /nfs/dbraw/zinc/82/55/51/1258825551.db2.gz IHFMZEHIGDSZKP-FQEVSTJZSA-N 2 2 339.483 2.105 10 30 EEEELP O=C(C[NH+]1CCCC1)NC[C@@H]1CCCC[N@H+]1CC#Cc1ccccc1 ZINC001491236085 1258825558 /nfs/dbraw/zinc/82/55/58/1258825558.db2.gz IHFMZEHIGDSZKP-FQEVSTJZSA-N 2 2 339.483 2.105 10 30 EEEELP C[NH+](C)c1ccc(N2CCC([NH2+]C[C@@H](O)CC3(C#N)CC3)CC2)cc1 ZINC000863552557 1296331231 /nfs/dbraw/zinc/33/12/31/1296331231.db2.gz MQMHHWUIAHWJLJ-IBGZPJMESA-N 2 2 342.487 2.366 10 30 EEEELP C=C(C)C[NH2+]C[C@@]1(C)CCN(C(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001278498300 1310825138 /nfs/dbraw/zinc/82/51/38/1310825138.db2.gz JXAATAOGQARVQX-LJQANCHMSA-N 2 2 330.476 2.166 10 30 EEEELP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[N@@H+](C)Cc1c(F)cccc1F ZINC001265864117 1323437423 /nfs/dbraw/zinc/43/74/23/1323437423.db2.gz AFJNKHLBZBEARX-SFHVURJKSA-N 2 2 349.425 2.001 10 30 EEEELP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[N@H+](C)Cc1c(F)cccc1F ZINC001265864117 1323437429 /nfs/dbraw/zinc/43/74/29/1323437429.db2.gz AFJNKHLBZBEARX-SFHVURJKSA-N 2 2 349.425 2.001 10 30 EEEELP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH+](C)Cc1c(F)cccc1F ZINC001265864117 1323437436 /nfs/dbraw/zinc/43/74/36/1323437436.db2.gz AFJNKHLBZBEARX-SFHVURJKSA-N 2 2 349.425 2.001 10 30 EEEELP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH+](C)Cc1c(F)cccc1F ZINC001265864117 1323437441 /nfs/dbraw/zinc/43/74/41/1323437441.db2.gz AFJNKHLBZBEARX-SFHVURJKSA-N 2 2 349.425 2.001 10 30 EEEELP C=CCCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCn3c[nH+]cc3C2)CC1(C)C ZINC001284292504 1326491351 /nfs/dbraw/zinc/49/13/51/1326491351.db2.gz GVHNIVBAFNJGCS-DOTOQJQBSA-N 2 2 330.476 2.238 10 30 EEEELP C=C(Cl)C[NH2+]CCc1ccc(CNC(=O)Cc2c[nH]c[nH+]2)cc1 ZINC001491902056 1330296935 /nfs/dbraw/zinc/29/69/35/1330296935.db2.gz JPITUJDKFYPRCY-UHFFFAOYSA-N 2 2 332.835 2.153 10 30 EEEELP C[C@@H](CCNC(=O)Cc1c[nH]c[nH+]1)[NH2+]CC#Cc1ccccc1Cl ZINC001317408070 1332217167 /nfs/dbraw/zinc/21/71/67/1332217167.db2.gz HRGNKYIHTLFTGZ-AWEZNQCLSA-N 2 2 344.846 2.142 10 30 EEEELP C=C(C)CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001317841538 1332428677 /nfs/dbraw/zinc/42/86/77/1332428677.db2.gz DSZKYURKVFRGEJ-IAGOWNOFSA-N 2 2 330.476 2.192 10 30 EEEELP C=C(C)CC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001317841538 1332428680 /nfs/dbraw/zinc/42/86/80/1332428680.db2.gz DSZKYURKVFRGEJ-IAGOWNOFSA-N 2 2 330.476 2.192 10 30 EEEELP C=CCOCC[N@H+]1CCC[C@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001317994693 1332459723 /nfs/dbraw/zinc/45/97/23/1332459723.db2.gz VDHJDYFOOAYPPV-RBUKOAKNSA-N 2 2 345.487 2.073 10 30 EEEELP C=CCOCC[N@@H+]1CCC[C@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001317994693 1332459724 /nfs/dbraw/zinc/45/97/24/1332459724.db2.gz VDHJDYFOOAYPPV-RBUKOAKNSA-N 2 2 345.487 2.073 10 30 EEEELP C=CCCC[NH+]1CC2(C1)CCN(C(=O)[C@@H](C)Cc1c[nH]c[nH+]1)CC2 ZINC001319408406 1332697216 /nfs/dbraw/zinc/69/72/16/1332697216.db2.gz VSGHMUOGCYBTBT-INIZCTEOSA-N 2 2 330.476 2.479 10 30 EEEELP C=CCCC[NH+]1CC2(C1)CCN(C(=O)[C@@H](C)Cc1c[nH+]c[nH]1)CC2 ZINC001319408406 1332697217 /nfs/dbraw/zinc/69/72/17/1332697217.db2.gz VSGHMUOGCYBTBT-INIZCTEOSA-N 2 2 330.476 2.479 10 30 EEEELP C=C(C)CC[NH2+][C@@H](C)CCNC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1 ZINC001328344172 1334448257 /nfs/dbraw/zinc/44/82/57/1334448257.db2.gz VTYKJYVYDLULCM-WMLDXEAASA-N 2 2 333.480 2.241 10 30 EEEELP C=C(C)CC[NH2+][C@@H](C)CCNC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1 ZINC001328344172 1334448259 /nfs/dbraw/zinc/44/82/59/1334448259.db2.gz VTYKJYVYDLULCM-WMLDXEAASA-N 2 2 333.480 2.241 10 30 EEEELP C=CCC[NH2+]C[C@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)C[C@H]1C(F)(F)F ZINC001332468318 1335830764 /nfs/dbraw/zinc/83/07/64/1335830764.db2.gz FMCGVSWJKDFODQ-QWHCGFSZSA-N 2 2 344.381 2.063 10 30 EEEELP CC(C)N(CC[N@H+](C)CC#Cc1ccccc1)C(=O)[C@H]1CCC[NH+]1C ZINC001332693578 1335884798 /nfs/dbraw/zinc/88/47/98/1335884798.db2.gz RXHISJKTJJBQPZ-HXUWFJFHSA-N 2 2 341.499 2.301 10 30 EEEELP CC(C)N(CC[N@@H+](C)CC#Cc1ccccc1)C(=O)[C@H]1CCC[NH+]1C ZINC001332693578 1335884801 /nfs/dbraw/zinc/88/48/01/1335884801.db2.gz RXHISJKTJJBQPZ-HXUWFJFHSA-N 2 2 341.499 2.301 10 30 EEEELP CC(C)N(CC[NH+](C)CC#Cc1ccccc1)C(=O)[C@H]1CCC[N@@H+]1C ZINC001332693578 1335884804 /nfs/dbraw/zinc/88/48/04/1335884804.db2.gz RXHISJKTJJBQPZ-HXUWFJFHSA-N 2 2 341.499 2.301 10 30 EEEELP CC(C)N(CC[NH+](C)CC#Cc1ccccc1)C(=O)[C@H]1CCC[N@H+]1C ZINC001332693578 1335884806 /nfs/dbraw/zinc/88/48/06/1335884806.db2.gz RXHISJKTJJBQPZ-HXUWFJFHSA-N 2 2 341.499 2.301 10 30 EEEELP C[N@@H+]1CCC[C@H]1CCC(=O)N1CCC([NH+](CC#N)CC2CC2)CC1 ZINC001569452566 1342873038 /nfs/dbraw/zinc/87/30/38/1342873038.db2.gz UMFAYSQSBBWYJE-KRWDZBQOSA-N 2 2 332.492 2.087 10 30 EEEELP C[N@H+]1CCC[C@H]1CCC(=O)N1CCC([NH+](CC#N)CC2CC2)CC1 ZINC001569452566 1342873042 /nfs/dbraw/zinc/87/30/42/1342873042.db2.gz UMFAYSQSBBWYJE-KRWDZBQOSA-N 2 2 332.492 2.087 10 30 EEEELP C[NH+]1CCC[C@H]1CCC(=O)N1CCC([N@H+](CC#N)CC2CC2)CC1 ZINC001569452566 1342873048 /nfs/dbraw/zinc/87/30/48/1342873048.db2.gz UMFAYSQSBBWYJE-KRWDZBQOSA-N 2 2 332.492 2.087 10 30 EEEELP C[NH+]1CCC[C@H]1CCC(=O)N1CCC([N@@H+](CC#N)CC2CC2)CC1 ZINC001569452566 1342873055 /nfs/dbraw/zinc/87/30/55/1342873055.db2.gz UMFAYSQSBBWYJE-KRWDZBQOSA-N 2 2 332.492 2.087 10 30 EEEELP C=CC[NH2+]C[C@@H]1CC[C@@H](NC(=O)Cc2cn3cccc(C)c3[nH+]2)C1 ZINC001676957218 1357249035 /nfs/dbraw/zinc/24/90/35/1357249035.db2.gz AITPKPIUIWJGJD-HZPDHXFCSA-N 2 2 326.444 2.246 10 30 EEEELP CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[NH+]1CCC(c2c[nH+]cn2C)CC1 ZINC001655123995 1354165815 /nfs/dbraw/zinc/16/58/15/1354165815.db2.gz ZRGLCBMFJNLSSW-KBXCAEBGSA-N 2 2 331.464 2.042 10 30 EEEELP CC#CC[N@H+](C)C[C@@H]1CCCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001661216598 1354610138 /nfs/dbraw/zinc/61/01/38/1354610138.db2.gz UFRBJVHWNBLFKT-KRWDZBQOSA-N 2 2 330.476 2.120 10 30 EEEELP CC#CC[N@@H+](C)C[C@@H]1CCCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001661216598 1354610141 /nfs/dbraw/zinc/61/01/41/1354610141.db2.gz UFRBJVHWNBLFKT-KRWDZBQOSA-N 2 2 330.476 2.120 10 30 EEEELP C=CCC[N@H+]1CC[C@@H](N(CCC)C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001664674071 1355208392 /nfs/dbraw/zinc/20/83/92/1355208392.db2.gz VZNDZSWORCSZCX-DLBZAZTESA-N 2 2 330.476 2.335 10 30 EEEELP C=CCC[N@@H+]1CC[C@@H](N(CCC)C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001664674071 1355208396 /nfs/dbraw/zinc/20/83/96/1355208396.db2.gz VZNDZSWORCSZCX-DLBZAZTESA-N 2 2 330.476 2.335 10 30 EEEELP CC#CC[N@@H+]1CC[C@H](CCNC(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001664721495 1355222817 /nfs/dbraw/zinc/22/28/17/1355222817.db2.gz DVXBLTZHTHGKSU-ROUUACIJSA-N 2 2 330.476 2.322 10 30 EEEELP CC#CC[N@H+]1CC[C@H](CCNC(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001664721495 1355222820 /nfs/dbraw/zinc/22/28/20/1355222820.db2.gz DVXBLTZHTHGKSU-ROUUACIJSA-N 2 2 330.476 2.322 10 30 EEEELP C=CCCC[NH2+]C[C@@](C)(NC(=O)[C@H]1CCc2c[nH+]cn2C1)C1CC1 ZINC001666004875 1355423595 /nfs/dbraw/zinc/42/35/95/1355423595.db2.gz KPJGEDUOCQNRRE-HNAYVOBHSA-N 2 2 330.476 2.286 10 30 EEEELP CCN(CC[NH2+]CC#Cc1ccc(Cl)cc1)C(=O)Cc1c[nH+]c[nH]1 ZINC001668566696 1355964090 /nfs/dbraw/zinc/96/40/90/1355964090.db2.gz OPUQKKFDXBCVEE-UHFFFAOYSA-N 2 2 344.846 2.095 10 30 EEEELP C[NH+](C)CCCC(=O)NC[C@@H]1CCC[N@@H+]1Cc1cc(F)ccc1C#N ZINC001437675410 1090205670 /nfs/dbraw/zinc/20/56/70/1090205670.db2.gz SNNPUOLJYVNHGV-SFHVURJKSA-N 2 2 346.450 2.120 10 30 EEEELP C[NH+](C)CCCC(=O)NC[C@@H]1CCC[N@H+]1Cc1cc(F)ccc1C#N ZINC001437675410 1090205674 /nfs/dbraw/zinc/20/56/74/1090205674.db2.gz SNNPUOLJYVNHGV-SFHVURJKSA-N 2 2 346.450 2.120 10 30 EEEELP C[C@H](CC(=O)N[C@@H](C)C[NH2+]Cc1ccc(C#N)s1)n1cc[nH+]c1 ZINC001445611264 1091405580 /nfs/dbraw/zinc/40/55/80/1091405580.db2.gz BJGQNSRWFGRYEF-QWHCGFSZSA-N 2 2 331.445 2.062 10 30 EEEELP C=C(Cl)C[NH2+]C[C@@H](NC(=O)[C@@H]1CCc2[nH+]ccn2C1)C(C)(C)C ZINC001449287120 1094236610 /nfs/dbraw/zinc/23/66/10/1094236610.db2.gz DGSMAQFHSWVZMT-ZIAGYGMSSA-N 2 2 338.883 2.319 10 30 EEEELP C#CCC[NH+]1CCC(N(CCC)C(=O)[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC001479993082 1099456154 /nfs/dbraw/zinc/45/61/54/1099456154.db2.gz JIPDHOLBTFOUOG-KRWDZBQOSA-N 2 2 342.487 2.172 10 30 EEEELP C[C@H](C[NH2+]Cc1ccccc1C#N)N(C)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001444674160 1099517064 /nfs/dbraw/zinc/51/70/64/1099517064.db2.gz AORSJKYTTUZNCB-HZPDHXFCSA-N 2 2 339.443 2.343 10 30 EEEELP C=CCC[C@@H](C)[N@@H+]1CCO[C@@]2(CCN(C(=O)CCc3c[nH]c[nH+]3)C2)C1 ZINC001506723107 1114833301 /nfs/dbraw/zinc/83/33/01/1114833301.db2.gz RHZAIFHJNBTYQT-APWZRJJASA-N 2 2 346.475 2.000 10 30 EEEELP C=CCC[C@@H](C)[N@H+]1CCO[C@@]2(CCN(C(=O)CCc3c[nH]c[nH+]3)C2)C1 ZINC001506723107 1114833306 /nfs/dbraw/zinc/83/33/06/1114833306.db2.gz RHZAIFHJNBTYQT-APWZRJJASA-N 2 2 346.475 2.000 10 30 EEEELP C=CCC[C@@H](C)[N@@H+]1CCO[C@@]2(CCN(C(=O)CCc3c[nH+]c[nH]3)C2)C1 ZINC001506723107 1114833311 /nfs/dbraw/zinc/83/33/11/1114833311.db2.gz RHZAIFHJNBTYQT-APWZRJJASA-N 2 2 346.475 2.000 10 30 EEEELP C=CCC[C@@H](C)[N@H+]1CCO[C@@]2(CCN(C(=O)CCc3c[nH+]c[nH]3)C2)C1 ZINC001506723107 1114833314 /nfs/dbraw/zinc/83/33/14/1114833314.db2.gz RHZAIFHJNBTYQT-APWZRJJASA-N 2 2 346.475 2.000 10 30 EEEELP C=C(Cl)C[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001507016495 1115055781 /nfs/dbraw/zinc/05/57/81/1115055781.db2.gz YXTBLSSATFPROR-GDBMZVCRSA-N 2 2 336.867 2.025 10 30 EEEELP CC#CC[NH2+]C[C@H]1CC[C@@H](NC(=O)Cc2cn3cccc(C)c3[nH+]2)C1 ZINC001507414181 1115258004 /nfs/dbraw/zinc/25/80/04/1115258004.db2.gz IFDDFFIEBHSPIN-DLBZAZTESA-N 2 2 338.455 2.083 10 30 EEEELP C=CCC[NH2+][C@H]1CCN(C(=O)Cc2cn3c([nH+]2)CCCC3)C[C@H]1C ZINC001568358080 1124435432 /nfs/dbraw/zinc/43/54/32/1124435432.db2.gz OBEXBVGPGQVGSO-WBVHZDCISA-N 2 2 330.476 2.165 10 30 EEEELP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+][C@H](C)c1c(F)cccc1F ZINC001568997926 1125030179 /nfs/dbraw/zinc/03/01/79/1125030179.db2.gz PMVQWUPFFMWVJZ-CPUCHLNUSA-N 2 2 349.425 2.218 10 30 EEEELP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+][C@H](C)c1c(F)cccc1F ZINC001568997926 1125030188 /nfs/dbraw/zinc/03/01/88/1125030188.db2.gz PMVQWUPFFMWVJZ-CPUCHLNUSA-N 2 2 349.425 2.218 10 30 EEEELP N#Cc1ccccc1CSCC[NH2+][C@@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000422985409 240317834 /nfs/dbraw/zinc/31/78/34/240317834.db2.gz DQVHWWIBQLVYTE-MSOLQXFVSA-N 2 2 331.485 2.148 10 30 EEEELP C[NH+]1CCC(CNC(=O)C#Cc2ccccc2)([NH+]2CCCCC2)CC1 ZINC000081945406 277026365 /nfs/dbraw/zinc/02/63/65/277026365.db2.gz HZSKCGRAPWCERA-UHFFFAOYSA-N 2 2 339.483 2.105 10 30 EEEELP N#Cc1csc(C[NH2+]Cc2ccccc2C[NH+]2CCOCC2)n1 ZINC000580367391 324048377 /nfs/dbraw/zinc/04/83/77/324048377.db2.gz UBNAYUNIYIWPLG-UHFFFAOYSA-N 2 2 328.441 2.137 10 30 EEEELP Cc1[nH+]ccn1-c1ccc(C[NH2+]Cc2cnc3ccc(C#N)cn23)cn1 ZINC000123383829 463337870 /nfs/dbraw/zinc/33/78/70/463337870.db2.gz BCLQMVWNEFEOPK-UHFFFAOYSA-N 2 2 343.394 2.385 10 30 EEEELP Cc1nnc([C@@H](C)[NH2+]CC#CC[NH2+][C@H](C)c2nnc(C)s2)s1 ZINC000284242008 464122695 /nfs/dbraw/zinc/12/26/95/464122695.db2.gz VRUYUNHFLLQDTF-NXEZZACHSA-N 2 2 336.490 2.011 10 30 EEEELP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000761054566 577675059 /nfs/dbraw/zinc/67/50/59/577675059.db2.gz HFWUWLCXUYGXJV-FGTMMUONSA-N 2 2 345.874 2.299 10 30 EEEELP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000761054566 577675060 /nfs/dbraw/zinc/67/50/60/577675060.db2.gz HFWUWLCXUYGXJV-FGTMMUONSA-N 2 2 345.874 2.299 10 30 EEEELP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000761054566 577675061 /nfs/dbraw/zinc/67/50/61/577675061.db2.gz HFWUWLCXUYGXJV-FGTMMUONSA-N 2 2 345.874 2.299 10 30 EEEELP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000761054566 577675062 /nfs/dbraw/zinc/67/50/62/577675062.db2.gz HFWUWLCXUYGXJV-FGTMMUONSA-N 2 2 345.874 2.299 10 30 EEEELP C#CC[NH+]1CCN(C(=O)C[NH2+][C@@H](CC(C)C)c2cccs2)CC1 ZINC000754289780 577804032 /nfs/dbraw/zinc/80/40/32/577804032.db2.gz BTIQWVUORQBIHX-INIZCTEOSA-N 2 2 333.501 2.202 10 30 EEEELP CC[C@H]([NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1cccc(C#N)c1O ZINC000925042094 682665292 /nfs/dbraw/zinc/66/52/92/682665292.db2.gz RSCJUZYGTXOBOJ-APWZRJJASA-N 2 2 342.487 2.473 10 30 EEEELP C=C(Cl)C[N@H+]1CCC[C@@H]1CCCNC(=O)CCc1c[nH+]cn1C ZINC001266244593 1176013862 /nfs/dbraw/zinc/01/38/62/1176013862.db2.gz SKBZYUCLTJYXLM-HNNXBMFYSA-N 2 2 338.883 2.466 10 30 EEEELP C=C(Cl)C[N@@H+]1CCC[C@@H]1CCCNC(=O)CCc1c[nH+]cn1C ZINC001266244593 1176013870 /nfs/dbraw/zinc/01/38/70/1176013870.db2.gz SKBZYUCLTJYXLM-HNNXBMFYSA-N 2 2 338.883 2.466 10 30 EEEELP C#CCC[N@H+](CCC)CCNC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC001266575587 1176873232 /nfs/dbraw/zinc/87/32/32/1176873232.db2.gz UXBMLAASAMTMNO-UHFFFAOYSA-N 2 2 326.444 2.037 10 30 EEEELP C#CCC[N@@H+](CCC)CCNC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC001266575587 1176873238 /nfs/dbraw/zinc/87/32/38/1176873238.db2.gz UXBMLAASAMTMNO-UHFFFAOYSA-N 2 2 326.444 2.037 10 30 EEEELP CC[C@H](C(=O)NCC1C[NH+](CC#Cc2ccccc2)C1)[NH+](CC)CC ZINC001481645868 1182062657 /nfs/dbraw/zinc/06/26/57/1182062657.db2.gz ZEUVFQJOJHBEOK-HXUWFJFHSA-N 2 2 341.499 2.207 10 30 EEEELP C=C(C)CC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC001269997955 1184772656 /nfs/dbraw/zinc/77/26/56/1184772656.db2.gz SVXZEUNAESEDEC-BRWVUGGUSA-N 2 2 330.476 2.429 10 30 EEEELP C=CCCC[NH2+]C[C@@H]1CN(C(=O)Cc2cn3c([nH+]2)CCCC3)C[C@@H]1C ZINC001271619859 1186338800 /nfs/dbraw/zinc/33/88/00/1186338800.db2.gz VQFXAABVJKMOJV-DLBZAZTESA-N 2 2 344.503 2.412 10 30 EEEELP CC#CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C[C@@H](C)n1cc[nH+]c1)C2 ZINC001271749549 1186458330 /nfs/dbraw/zinc/45/83/30/1186458330.db2.gz GEQPGYVJOZSQNI-ZJPYXAASSA-N 2 2 328.460 2.217 10 30 EEEELP CC#CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C[C@@H](C)n1cc[nH+]c1)C2 ZINC001271749549 1186458334 /nfs/dbraw/zinc/45/83/34/1186458334.db2.gz GEQPGYVJOZSQNI-ZJPYXAASSA-N 2 2 328.460 2.217 10 30 EEEELP N#CC[NH+](CC1CC1)C1CCN(C(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001670989212 1193539469 /nfs/dbraw/zinc/53/94/69/1193539469.db2.gz MMOIEADKBDXBIQ-MOPGFXCFSA-N 2 2 344.503 2.230 10 30 EEEELP N#CC[NH+](CC1CC1)C1CCN(C(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001670989212 1193539471 /nfs/dbraw/zinc/53/94/71/1193539471.db2.gz MMOIEADKBDXBIQ-MOPGFXCFSA-N 2 2 344.503 2.230 10 30 EEEELP N#CC[N@H+](CC1CC1)C1CCN(C(=O)[C@@H]2CCC[C@@H]3CCC[NH+]32)CC1 ZINC001670989212 1193539474 /nfs/dbraw/zinc/53/94/74/1193539474.db2.gz MMOIEADKBDXBIQ-MOPGFXCFSA-N 2 2 344.503 2.230 10 30 EEEELP N#CC[N@@H+](CC1CC1)C1CCN(C(=O)[C@@H]2CCC[C@@H]3CCC[NH+]32)CC1 ZINC001670989212 1193539477 /nfs/dbraw/zinc/53/94/77/1193539477.db2.gz MMOIEADKBDXBIQ-MOPGFXCFSA-N 2 2 344.503 2.230 10 30 EEEELP C=C(Cl)C[NH2+]C[C@@H](CCCC)NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001409816693 1190647999 /nfs/dbraw/zinc/64/79/99/1190647999.db2.gz JYYXGULNYOVAIJ-HUUCEWRRSA-N 2 2 338.883 2.463 10 30 EEEELP CC(C)(C(=O)NC[C@H]1CC[N@@H+]1Cc1ccc(C#N)cc1)[NH+]1CCCC1 ZINC001483669714 1190728729 /nfs/dbraw/zinc/72/87/29/1190728729.db2.gz BNKXELVBAFFAMY-GOSISDBHSA-N 2 2 340.471 2.123 10 30 EEEELP CC(C)(C(=O)NC[C@H]1CC[N@H+]1Cc1ccc(C#N)cc1)[NH+]1CCCC1 ZINC001483669714 1190728731 /nfs/dbraw/zinc/72/87/31/1190728731.db2.gz BNKXELVBAFFAMY-GOSISDBHSA-N 2 2 340.471 2.123 10 30 EEEELP C=C(C)CC[NH2+]CC[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001484538153 1191404555 /nfs/dbraw/zinc/40/45/55/1191404555.db2.gz UQEYCMOIXOPVKT-BRWVUGGUSA-N 2 2 330.476 2.318 10 30 EEEELP C=CCOCC[N@@H+](C)C[C@@H]1CCCN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001275120541 1205262061 /nfs/dbraw/zinc/26/20/61/1205262061.db2.gz FHJUZGZEXWMGGW-INIZCTEOSA-N 2 2 342.443 2.302 10 30 EEEELP C=CCOCC[N@H+](C)C[C@@H]1CCCN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001275120541 1205262063 /nfs/dbraw/zinc/26/20/63/1205262063.db2.gz FHJUZGZEXWMGGW-INIZCTEOSA-N 2 2 342.443 2.302 10 30 EEEELP COc1cc(C#N)ccc1OCC[NH+]1C[C@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000931312410 1206624098 /nfs/dbraw/zinc/62/40/98/1206624098.db2.gz XFBHAAYDCZNNBF-OALUTQOASA-N 2 2 329.444 2.219 10 30 EEEELP C[N@@H+](CC#Cc1ccccc1)CCNC(=O)[C@H]1CCC[C@H]2CCC[NH+]21 ZINC001267221251 1276644394 /nfs/dbraw/zinc/64/43/94/1276644394.db2.gz ZHTAUUMNNHBZNK-VQTJNVASSA-N 2 2 339.483 2.103 10 30 EEEELP C[N@H+](CC#Cc1ccccc1)CCNC(=O)[C@H]1CCC[C@H]2CCC[NH+]21 ZINC001267221251 1276644406 /nfs/dbraw/zinc/64/44/06/1276644406.db2.gz ZHTAUUMNNHBZNK-VQTJNVASSA-N 2 2 339.483 2.103 10 30 EEEELP C[NH+](CC#Cc1ccccc1)CCNC(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001267221251 1276644417 /nfs/dbraw/zinc/64/44/17/1276644417.db2.gz ZHTAUUMNNHBZNK-VQTJNVASSA-N 2 2 339.483 2.103 10 30 EEEELP C[NH+](CC#Cc1ccccc1)CCNC(=O)[C@H]1CCC[C@H]2CCC[N@H+]21 ZINC001267221251 1276644429 /nfs/dbraw/zinc/64/44/29/1276644429.db2.gz ZHTAUUMNNHBZNK-VQTJNVASSA-N 2 2 339.483 2.103 10 30 EEEELP C=C(C)C[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)Cc1[nH]c[nH+]c1C ZINC001273824875 1286477938 /nfs/dbraw/zinc/47/79/38/1286477938.db2.gz LEXXPZYTFPRQKW-SFHVURJKSA-N 2 2 338.455 2.380 10 30 EEEELP C=C(C)C[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)Cc1[nH]c[nH+]c1C ZINC001273824875 1286477944 /nfs/dbraw/zinc/47/79/44/1286477944.db2.gz LEXXPZYTFPRQKW-SFHVURJKSA-N 2 2 338.455 2.380 10 30 EEEELP C=CCCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc(C[NH+](C)C)on1 ZINC001277345976 1302554080 /nfs/dbraw/zinc/55/40/80/1302554080.db2.gz ORGNXELWIPBMLT-CVEARBPZSA-N 2 2 346.475 2.381 10 30 EEEELP C=CCCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc(C[NH+](C)C)on1 ZINC001277345976 1302554090 /nfs/dbraw/zinc/55/40/90/1302554090.db2.gz ORGNXELWIPBMLT-CVEARBPZSA-N 2 2 346.475 2.381 10 30 EEEELP Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C)CCC[NH2+]Cc1ccc(C#N)cc1 ZINC001277348632 1302564387 /nfs/dbraw/zinc/56/43/87/1302564387.db2.gz CJEXVEUOJHMACM-AWEZNQCLSA-N 2 2 339.443 2.207 10 30 EEEELP C=CC[N@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)CCc1c[nH+]cn1C ZINC001264033639 1322593683 /nfs/dbraw/zinc/59/36/83/1322593683.db2.gz UTBKERGSVGJJOE-BPQIPLTHSA-N 2 2 330.476 2.144 10 30 EEEELP C=CC[N@@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)CCc1c[nH+]cn1C ZINC001264033639 1322593688 /nfs/dbraw/zinc/59/36/88/1322593688.db2.gz UTBKERGSVGJJOE-BPQIPLTHSA-N 2 2 330.476 2.144 10 30 EEEELP C=C(C)CC[N@@H+](CCO)[C@@H]1CCCN(C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001264635338 1322760069 /nfs/dbraw/zinc/76/00/69/1322760069.db2.gz ZUEHUTAKUYYMEP-QZTJIDSGSA-N 2 2 348.491 2.086 10 30 EEEELP C=C(C)CC[N@H+](CCO)[C@@H]1CCCN(C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001264635338 1322760074 /nfs/dbraw/zinc/76/00/74/1322760074.db2.gz ZUEHUTAKUYYMEP-QZTJIDSGSA-N 2 2 348.491 2.086 10 30 EEEELP CC#CC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001279262576 1323860130 /nfs/dbraw/zinc/86/01/30/1323860130.db2.gz RXKZKEJEWJCAIC-QBPKDAKJSA-N 2 2 328.460 2.049 10 30 EEEELP CC#CC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001279262576 1323860135 /nfs/dbraw/zinc/86/01/35/1323860135.db2.gz RXKZKEJEWJCAIC-QBPKDAKJSA-N 2 2 328.460 2.049 10 30 EEEELP C#CC[NH+]1Cc2ccc(CNC(=O)CC[C@@H]3CCC[N@H+]3C)cc2C1 ZINC001281293340 1324941136 /nfs/dbraw/zinc/94/11/36/1324941136.db2.gz PRBBYPBSUBOUAO-IBGZPJMESA-N 2 2 325.456 2.126 10 30 EEEELP C#CC[NH+]1Cc2ccc(CNC(=O)CC[C@@H]3CCC[N@@H+]3C)cc2C1 ZINC001281293340 1324941139 /nfs/dbraw/zinc/94/11/39/1324941139.db2.gz PRBBYPBSUBOUAO-IBGZPJMESA-N 2 2 325.456 2.126 10 30 EEEELP C#CC[N@H+]1Cc2ccc(CNC(=O)CC[C@@H]3CCC[NH+]3C)cc2C1 ZINC001281293340 1324941142 /nfs/dbraw/zinc/94/11/42/1324941142.db2.gz PRBBYPBSUBOUAO-IBGZPJMESA-N 2 2 325.456 2.126 10 30 EEEELP C#CC[N@@H+]1Cc2ccc(CNC(=O)CC[C@@H]3CCC[NH+]3C)cc2C1 ZINC001281293340 1324941146 /nfs/dbraw/zinc/94/11/46/1324941146.db2.gz PRBBYPBSUBOUAO-IBGZPJMESA-N 2 2 325.456 2.126 10 30 EEEELP C[C@@H](CCC[NH2+]Cc1cc(C#N)ccc1F)NC(=O)Cc1c[nH]c[nH+]1 ZINC001283247189 1325969647 /nfs/dbraw/zinc/96/96/47/1325969647.db2.gz BOAYVCVCSMWUMN-ZDUSSCGKSA-N 2 2 343.406 2.038 10 30 EEEELP C=C(C)CC[NH2+]CC1(NC(=O)[C@H]2CCc3[nH+]ccn3C2)CCCC1 ZINC001318642039 1332571462 /nfs/dbraw/zinc/57/14/62/1332571462.db2.gz HWCRZIDOUBINNC-INIZCTEOSA-N 2 2 330.476 2.430 10 30 EEEELP C=CCCC[N@@H+]1CC[C@]2(CCN(C(=O)[C@H]3CCn4c[nH+]cc4C3)C2)C1 ZINC001323859367 1333560014 /nfs/dbraw/zinc/56/00/14/1333560014.db2.gz WBFFWGFGUUSSIF-PXNSSMCTSA-N 2 2 342.487 2.336 10 30 EEEELP C=CCCC[N@H+]1CC[C@]2(CCN(C(=O)[C@H]3CCn4c[nH+]cc4C3)C2)C1 ZINC001323859367 1333560018 /nfs/dbraw/zinc/56/00/18/1333560018.db2.gz WBFFWGFGUUSSIF-PXNSSMCTSA-N 2 2 342.487 2.336 10 30 EEEELP C#CCN(C(=O)[C@@H]1CCc2[nH+]ccn2C1)C1CC[NH+](CC(C)C)CC1 ZINC001324397591 1333674749 /nfs/dbraw/zinc/67/47/49/1333674749.db2.gz YBDWEQNBXWPDRL-QGZVFWFLSA-N 2 2 342.487 2.028 10 30 EEEELP C#CCC[N@H+]1CCCC2(CN(C(=O)[C@H](CC(C)C)n3cc[nH+]c3)C2)C1 ZINC001330500404 1334859487 /nfs/dbraw/zinc/85/94/87/1334859487.db2.gz WRVKSSUXTNSPLH-SFHVURJKSA-N 2 2 342.487 2.418 10 30 EEEELP C#CCC[N@@H+]1CCCC2(CN(C(=O)[C@H](CC(C)C)n3cc[nH+]c3)C2)C1 ZINC001330500404 1334859489 /nfs/dbraw/zinc/85/94/89/1334859489.db2.gz WRVKSSUXTNSPLH-SFHVURJKSA-N 2 2 342.487 2.418 10 30 EEEELP C=C(C)CC[NH+]1CC([C@@H](C)NC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001506623353 1342288093 /nfs/dbraw/zinc/28/80/93/1342288093.db2.gz QTSPZSSYTSIOAK-OAHLLOKOSA-N 2 2 330.476 2.165 10 30 EEEELP C=C(C)C[NH2+][C@H](CNC(=O)c1cc(C[NH+](C)C)on1)c1ccccc1 ZINC001567660876 1342807043 /nfs/dbraw/zinc/80/70/43/1342807043.db2.gz LQYMKHJEMWYISR-GOSISDBHSA-N 2 2 342.443 2.373 10 30 EEEELP C=CC[N@@H+](CCOC)C1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC001569454651 1342873693 /nfs/dbraw/zinc/87/36/93/1342873693.db2.gz GOPOSNKAGGVCNL-UHFFFAOYSA-N 2 2 348.491 2.052 10 30 EEEELP C=CC[N@H+](CCOC)C1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC001569454651 1342873698 /nfs/dbraw/zinc/87/36/98/1342873698.db2.gz GOPOSNKAGGVCNL-UHFFFAOYSA-N 2 2 348.491 2.052 10 30 EEEELP C=C(C)CC[N@H+](CCCNC(=O)[C@@H]1CCc2c[nH+]cn2C1)C1CC1 ZINC001660699828 1354519438 /nfs/dbraw/zinc/51/94/38/1354519438.db2.gz QNYDOIPXLDKSPL-MRXNPFEDSA-N 2 2 330.476 2.382 10 30 EEEELP C=C(C)CC[N@@H+](CCCNC(=O)[C@@H]1CCc2c[nH+]cn2C1)C1CC1 ZINC001660699828 1354519439 /nfs/dbraw/zinc/51/94/39/1354519439.db2.gz QNYDOIPXLDKSPL-MRXNPFEDSA-N 2 2 330.476 2.382 10 30 EEEELP C#CCC[NH2+][C@H](C)C1CCN(C(=O)Cc2cn3c([nH+]2)CCCC3)CC1 ZINC001664436167 1355163523 /nfs/dbraw/zinc/16/35/23/1355163523.db2.gz AUHZSWLJBHHBLV-MRXNPFEDSA-N 2 2 342.487 2.002 10 30 EEEELP C=C(C)CC[N@@H+]1CCO[C@H](CNC(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001698788849 1405060299 /nfs/dbraw/zinc/06/02/99/1405060299.db2.gz RTBZJYSMOOXAJC-DLBZAZTESA-N 2 2 348.491 2.180 10 30 EEEELP C=C(C)CC[N@H+]1CCO[C@H](CNC(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001698788849 1405060302 /nfs/dbraw/zinc/06/03/02/1405060302.db2.gz RTBZJYSMOOXAJC-DLBZAZTESA-N 2 2 348.491 2.180 10 30 EEEELP C[C@@H](C[NH2+]CC#Cc1cccc(Cl)c1)N(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001698850656 1405107958 /nfs/dbraw/zinc/10/79/58/1405107958.db2.gz NUFWZZTWQAZHAF-AWEZNQCLSA-N 2 2 344.846 2.094 10 30 EEEELP C#CCC[N@H+]1CC[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C(C)(C)C1 ZINC000940837146 779386212 /nfs/dbraw/zinc/38/62/12/779386212.db2.gz QKUYOOOAJFVGIW-INIZCTEOSA-N 2 2 330.476 2.167 10 30 EEEELP C#CCC[N@@H+]1CC[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C(C)(C)C1 ZINC000940837146 779386219 /nfs/dbraw/zinc/38/62/19/779386219.db2.gz QKUYOOOAJFVGIW-INIZCTEOSA-N 2 2 330.476 2.167 10 30 EEEELP C=CCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)C(C)(C)C1 ZINC000940851642 779434103 /nfs/dbraw/zinc/43/41/03/779434103.db2.gz ZYAFQAJYGZILHJ-JKSUJKDBSA-N 2 2 330.476 2.238 10 30 EEEELP C=CCC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)C(C)(C)C1 ZINC000940851642 779434110 /nfs/dbraw/zinc/43/41/10/779434110.db2.gz ZYAFQAJYGZILHJ-JKSUJKDBSA-N 2 2 330.476 2.238 10 30 EEEELP C=C(Br)C[N@H+]1CCC[C@@](C)(CNC(=O)CC[NH+](C)C)C1 ZINC001439943634 1093048876 /nfs/dbraw/zinc/04/88/76/1093048876.db2.gz UILWGSUWAPYDHH-HNNXBMFYSA-N 2 2 346.313 2.065 10 30 EEEELP C=C(Br)C[N@@H+]1CCC[C@@](C)(CNC(=O)CC[NH+](C)C)C1 ZINC001439943634 1093048879 /nfs/dbraw/zinc/04/88/79/1093048879.db2.gz UILWGSUWAPYDHH-HNNXBMFYSA-N 2 2 346.313 2.065 10 30 EEEELP C=C(C[NH+](C)C)C(=O)N1CC[NH+]([C@H](C)c2cccc(OC)c2)CC1 ZINC001443724585 1098226007 /nfs/dbraw/zinc/22/60/07/1098226007.db2.gz BYCILYJFNNWTMP-MRXNPFEDSA-N 2 2 331.460 2.018 10 30 EEEELP C=CCOCC[NH2+][C@H]1CCCCCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001479692085 1098756090 /nfs/dbraw/zinc/75/60/90/1098756090.db2.gz NVLRKBITQWOPND-SJORKVTESA-N 2 2 348.491 2.152 10 30 EEEELP C=CCOCC[NH2+][C@H]1CCCCCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001479692085 1098756096 /nfs/dbraw/zinc/75/60/96/1098756096.db2.gz NVLRKBITQWOPND-SJORKVTESA-N 2 2 348.491 2.152 10 30 EEEELP C=C(C)C[N@@H+](C)C[C@H]1CCCN(C(=O)Cc2c[nH+]ccc2OC)C1 ZINC001480077703 1099621096 /nfs/dbraw/zinc/62/10/96/1099621096.db2.gz HBBMJNFBNNCCFI-MRXNPFEDSA-N 2 2 331.460 2.379 10 30 EEEELP C=C(C)C[N@H+](C)C[C@H]1CCCN(C(=O)Cc2c[nH+]ccc2OC)C1 ZINC001480077703 1099621109 /nfs/dbraw/zinc/62/11/09/1099621109.db2.gz HBBMJNFBNNCCFI-MRXNPFEDSA-N 2 2 331.460 2.379 10 30 EEEELP C=CCC[NH2+][C@@H](C)C1CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC001493831350 1108714128 /nfs/dbraw/zinc/71/41/28/1108714128.db2.gz NLYQLBZVZCAEBU-RDJZCZTQSA-N 2 2 330.476 2.238 10 30 EEEELP C[NH+]1CCC(C#N)(NC(=O)[C@H]2CC[C@@H](Nc3cccc[nH+]3)CC2)CC1 ZINC001464835381 1110404824 /nfs/dbraw/zinc/40/48/24/1110404824.db2.gz GCTMSILIBIZURT-IYBDPMFKSA-N 2 2 341.459 2.156 10 30 EEEELP C[C@H](C(=O)Nc1cccc(C#N)c1)[NH+]1CCC(c2c[nH+]cn2C)CC1 ZINC001473893961 1110584646 /nfs/dbraw/zinc/58/46/46/1110584646.db2.gz CUWOGROVEYKFPO-CQSZACIVSA-N 2 2 337.427 2.498 10 30 EEEELP C=CCCC[N@H+]1CC[C@@H]2CN(C(=O)CCc3c[nH+]cn3C)CC[C@H]21 ZINC001568514835 1124577512 /nfs/dbraw/zinc/57/75/12/1124577512.db2.gz CLKKKYBQAJXTDO-SJLPKXTDSA-N 2 2 330.476 2.242 10 30 EEEELP C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)CCc3c[nH+]cn3C)CC[C@H]21 ZINC001568514835 1124577519 /nfs/dbraw/zinc/57/75/19/1124577519.db2.gz CLKKKYBQAJXTDO-SJLPKXTDSA-N 2 2 330.476 2.242 10 30 EEEELP C[NH+](C)CC(=O)Nc1ccc(NCc2c[nH+]c3ccc(C#N)cn23)cc1 ZINC000132106813 462842091 /nfs/dbraw/zinc/84/20/91/462842091.db2.gz BNAMZGDVBAAYSE-UHFFFAOYSA-N 2 2 348.410 2.318 10 30 EEEELP C#CCC[N@H+]1CC[C@@H](CCNC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001267552723 1179344062 /nfs/dbraw/zinc/34/40/62/1179344062.db2.gz RSJKWPLCXZLWRD-QGZVFWFLSA-N 2 2 336.439 2.337 10 30 EEEELP C#CCC[N@@H+]1CC[C@@H](CCNC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001267552723 1179344071 /nfs/dbraw/zinc/34/40/71/1179344071.db2.gz RSJKWPLCXZLWRD-QGZVFWFLSA-N 2 2 336.439 2.337 10 30 EEEELP C#CCC[NH2+]C[C@](C)(NC(=O)Cc1cn2cccc(C)c2[nH+]1)C1CC1 ZINC001267862335 1180647222 /nfs/dbraw/zinc/64/72/22/1180647222.db2.gz KYLHVACWBCXVEA-FQEVSTJZSA-N 2 2 338.455 2.083 10 30 EEEELP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H](C)CC[NH2+]CC#Cc1ccccc1 ZINC001268404703 1182514641 /nfs/dbraw/zinc/51/46/41/1182514641.db2.gz JRYWSHODQWFSTB-SJORKVTESA-N 2 2 338.455 2.124 10 30 EEEELP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H](C)CC[NH2+]CC#Cc1ccccc1 ZINC001268404703 1182514645 /nfs/dbraw/zinc/51/46/45/1182514645.db2.gz JRYWSHODQWFSTB-SJORKVTESA-N 2 2 338.455 2.124 10 30 EEEELP C=CCCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc([C@H]2CCC[N@@H+]2C)[nH]n1 ZINC001268944026 1183840837 /nfs/dbraw/zinc/84/08/37/1183840837.db2.gz GWKZALOPGJKVQH-RLFYNMQTSA-N 2 2 343.475 2.041 10 30 EEEELP C=CCCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc([C@H]2CCC[NH+]2C)[nH]n1 ZINC001268944026 1183840839 /nfs/dbraw/zinc/84/08/39/1183840839.db2.gz GWKZALOPGJKVQH-RLFYNMQTSA-N 2 2 343.475 2.041 10 30 EEEELP C=CCCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc([C@H]2CCC[NH+]2C)[nH]n1 ZINC001268944026 1183840841 /nfs/dbraw/zinc/84/08/41/1183840841.db2.gz GWKZALOPGJKVQH-RLFYNMQTSA-N 2 2 343.475 2.041 10 30 EEEELP O=C(CC[NH+]1CCCCC1)NC[C@H]1CC[N@@H+]1CC#Cc1ccccc1 ZINC001269349060 1184197232 /nfs/dbraw/zinc/19/72/32/1184197232.db2.gz AFRKLQAJZSXGNN-HXUWFJFHSA-N 2 2 339.483 2.105 10 30 EEEELP O=C(CC[NH+]1CCCCC1)NC[C@H]1CC[N@H+]1CC#Cc1ccccc1 ZINC001269349060 1184197233 /nfs/dbraw/zinc/19/72/33/1184197233.db2.gz AFRKLQAJZSXGNN-HXUWFJFHSA-N 2 2 339.483 2.105 10 30 EEEELP C=CCC[NH2+]CCC1CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC001269877420 1184688153 /nfs/dbraw/zinc/68/81/53/1184688153.db2.gz KWPHVABFVIRBFV-KRWDZBQOSA-N 2 2 330.476 2.240 10 30 EEEELP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@]1(C)CCC[NH+](C/C=C/Cl)C1 ZINC001270965577 1185776734 /nfs/dbraw/zinc/77/67/34/1185776734.db2.gz LIMNXLVQEABBGT-SEHGVRFQSA-N 2 2 337.895 2.055 10 30 EEEELP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@]1(C)CCC[NH+](C/C=C/Cl)C1 ZINC001270965577 1185776739 /nfs/dbraw/zinc/77/67/39/1185776739.db2.gz LIMNXLVQEABBGT-SEHGVRFQSA-N 2 2 337.895 2.055 10 30 EEEELP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@]1(C)CCC[N@H+](C/C=C/Cl)C1 ZINC001270965577 1185776743 /nfs/dbraw/zinc/77/67/43/1185776743.db2.gz LIMNXLVQEABBGT-SEHGVRFQSA-N 2 2 337.895 2.055 10 30 EEEELP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@]1(C)CCC[N@@H+](C/C=C/Cl)C1 ZINC001270965577 1185776747 /nfs/dbraw/zinc/77/67/47/1185776747.db2.gz LIMNXLVQEABBGT-SEHGVRFQSA-N 2 2 337.895 2.055 10 30 EEEELP C=CCC[C@H](C)[N@H+]1C[C@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C[C@H]2C1 ZINC001271879719 1186574507 /nfs/dbraw/zinc/57/45/07/1186574507.db2.gz BCWMXZRNLLKEDL-QXDIGNSFSA-N 2 2 342.487 2.269 10 30 EEEELP C=CCC[C@H](C)[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C[C@H]2C1 ZINC001271879719 1186574516 /nfs/dbraw/zinc/57/45/16/1186574516.db2.gz BCWMXZRNLLKEDL-QXDIGNSFSA-N 2 2 342.487 2.269 10 30 EEEELP C#CCC[N@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)CCCn2cc[nH+]c2)C1 ZINC001670924340 1193527648 /nfs/dbraw/zinc/52/76/48/1193527648.db2.gz WRRYRKNJMNPWJS-OALUTQOASA-N 2 2 342.487 2.390 10 30 EEEELP C#CCC[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)CCCn2cc[nH+]c2)C1 ZINC001670924340 1193527652 /nfs/dbraw/zinc/52/76/52/1193527652.db2.gz WRRYRKNJMNPWJS-OALUTQOASA-N 2 2 342.487 2.390 10 30 EEEELP C=CCCC[NH2+]C[C@@]1(C)CCN(C(=O)Cc2c[nH+]ccc2OC)C1 ZINC001484103540 1191212059 /nfs/dbraw/zinc/21/20/59/1191212059.db2.gz WGPOZFGFAXOAFL-LJQANCHMSA-N 2 2 331.460 2.427 10 30 EEEELP CCCCCCC[NH+]1CC2(C1)C[C@@H](NC(=O)C[NH+]1CCCC1)CO2 ZINC001484805454 1191530252 /nfs/dbraw/zinc/53/02/52/1191530252.db2.gz RPVHLPRMOKHTMK-QGZVFWFLSA-N 2 2 337.508 2.012 10 30 EEEELP C=C(C)CC[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001485037936 1191627459 /nfs/dbraw/zinc/62/74/59/1191627459.db2.gz NSBOFTAMBKHGSI-SJORKVTESA-N 2 2 330.476 2.382 10 30 EEEELP COC(=O)[C@@H](c1ccc(C#N)cc1)[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000866665596 1201574316 /nfs/dbraw/zinc/57/43/16/1201574316.db2.gz HCNFPOWWKMVUTL-QZTJIDSGSA-N 2 2 327.428 2.094 10 30 EEEELP C#CCN(C(=O)c1ccc(Cn2cc[nH+]c2)cc1)C1CC[NH+](C)CC1 ZINC000886583157 1202527559 /nfs/dbraw/zinc/52/75/59/1202527559.db2.gz DKWJUKRTRHIIPG-UHFFFAOYSA-N 2 2 336.439 2.101 10 30 EEEELP C=CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001273826589 1286526463 /nfs/dbraw/zinc/52/64/63/1286526463.db2.gz ZXAQOJPGMUPYOF-RTBURBONSA-N 2 2 329.488 2.302 10 30 EEEELP C=CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001273826589 1286526472 /nfs/dbraw/zinc/52/64/72/1286526472.db2.gz ZXAQOJPGMUPYOF-RTBURBONSA-N 2 2 329.488 2.302 10 30 EEEELP C=C(C)C[N@H+](C)C[C@H]1CCCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001265391083 1323120050 /nfs/dbraw/zinc/12/00/50/1323120050.db2.gz SZCIMKHORKVQQK-SJORKVTESA-N 2 2 330.476 2.192 10 30 EEEELP C=C(C)C[N@@H+](C)C[C@H]1CCCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001265391083 1323120053 /nfs/dbraw/zinc/12/00/53/1323120053.db2.gz SZCIMKHORKVQQK-SJORKVTESA-N 2 2 330.476 2.192 10 30 EEEELP C[C@H](CCNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1)[NH2+]Cc1ccc(C#N)cc1 ZINC001492096560 1330464545 /nfs/dbraw/zinc/46/45/45/1330464545.db2.gz JOEIQESVEBLJAS-LSDHHAIUSA-N 2 2 339.443 2.145 10 30 EEEELP C[C@H](CCNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1)[NH2+]Cc1ccc(C#N)cc1 ZINC001492096560 1330464549 /nfs/dbraw/zinc/46/45/49/1330464549.db2.gz JOEIQESVEBLJAS-LSDHHAIUSA-N 2 2 339.443 2.145 10 30 EEEELP C[NH+](C)CCC(=O)NC[C@H]1CCC[N@@H+]1CC#Cc1ccccc1Cl ZINC001317510780 1332274466 /nfs/dbraw/zinc/27/44/66/1332274466.db2.gz SXGVGJXNCYTIRP-QGZVFWFLSA-N 2 2 347.890 2.224 10 30 EEEELP C[NH+](C)CCC(=O)NC[C@H]1CCC[N@H+]1CC#Cc1ccccc1Cl ZINC001317510780 1332274470 /nfs/dbraw/zinc/27/44/70/1332274470.db2.gz SXGVGJXNCYTIRP-QGZVFWFLSA-N 2 2 347.890 2.224 10 30 EEEELP C=C(C)C[N@H+]1CC[C@H](N(CCC)C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001317761740 1332400224 /nfs/dbraw/zinc/40/02/24/1332400224.db2.gz ORIREONRSUQEJS-AEFFLSMTSA-N 2 2 330.476 2.335 10 30 EEEELP C=C(C)C[N@@H+]1CC[C@H](N(CCC)C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001317761740 1332400225 /nfs/dbraw/zinc/40/02/25/1332400225.db2.gz ORIREONRSUQEJS-AEFFLSMTSA-N 2 2 330.476 2.335 10 30 EEEELP C#CC[NH2+][C@@H](C)c1ccc(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)cc1 ZINC001326478986 1334101014 /nfs/dbraw/zinc/10/10/14/1334101014.db2.gz DXURDMUJINKGBO-BMGDILEWSA-N 2 2 336.439 2.124 10 30 EEEELP C=CCCC[NH2+][C@@H](C)[C@@H]1CN(C(=O)C(C)(C)n2c[nH+]c(C)c2)CCO1 ZINC001330401155 1334836660 /nfs/dbraw/zinc/83/66/60/1334836660.db2.gz GDWXEBCJEBBADY-IRXDYDNUSA-N 2 2 348.491 2.098 10 30 EEEELP C=CCC[C@@H](C)[N@H+](C)C[C@@H]1CCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC001567741177 1342829785 /nfs/dbraw/zinc/82/97/85/1342829785.db2.gz CCUZJROAMBHCLX-SJORKVTESA-N 2 2 332.492 2.488 10 30 EEEELP C=CCC[C@@H](C)[N@@H+](C)C[C@@H]1CCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC001567741177 1342829788 /nfs/dbraw/zinc/82/97/88/1342829788.db2.gz CCUZJROAMBHCLX-SJORKVTESA-N 2 2 332.492 2.488 10 30 EEEELP C=C(C)CC[NH2+]C[C@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C(F)(F)F ZINC001677052145 1357271627 /nfs/dbraw/zinc/27/16/27/1357271627.db2.gz MARRDJSMHDXVKV-UONOGXRCSA-N 2 2 344.381 2.076 10 30 EEEELP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)CCCCCC#N)CC2)CC1 ZINC001639386299 1352697952 /nfs/dbraw/zinc/69/79/52/1352697952.db2.gz HIWHSWKLCJDGHW-UHFFFAOYSA-N 2 2 334.508 2.479 10 30 EEEELP CC[NH+]1CCC([N@H+]2CCCN(C(=O)CCCCCC#N)CC2)CC1 ZINC001639386299 1352697953 /nfs/dbraw/zinc/69/79/53/1352697953.db2.gz HIWHSWKLCJDGHW-UHFFFAOYSA-N 2 2 334.508 2.479 10 30 EEEELP C=C(C)C[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001657067478 1354316294 /nfs/dbraw/zinc/31/62/94/1354316294.db2.gz WSRMHBVLVBYXDP-SJORKVTESA-N 2 2 330.476 2.335 10 30 EEEELP C=C(C)C[N@@H+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001657067478 1354316299 /nfs/dbraw/zinc/31/62/99/1354316299.db2.gz WSRMHBVLVBYXDP-SJORKVTESA-N 2 2 330.476 2.335 10 30 EEEELP CCN(CC[NH2+]Cc1ccccc1C#N)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001668570588 1355965191 /nfs/dbraw/zinc/96/51/91/1355965191.db2.gz UHFOEZQTSFUAOP-INIZCTEOSA-N 2 2 339.443 2.344 10 30 EEEELP C#CCN(C(=O)Cn1cc[nH+]c1)C1CC[NH+](CC2CC(C)(C)C2)CC1 ZINC001671507650 1356352677 /nfs/dbraw/zinc/35/26/77/1356352677.db2.gz GCIZWAQGCZRCPA-UHFFFAOYSA-N 2 2 342.487 2.246 10 30 EEEELP C=C(C)C[NH2+]C[C@H](NC(=O)[C@@H]1CCc2[nH+]ccn2C1)C1CCCC1 ZINC001671535982 1356357940 /nfs/dbraw/zinc/35/79/40/1356357940.db2.gz JVYLLGHCYWHVDU-SJORKVTESA-N 2 2 330.476 2.286 10 30 EEEELP C=CCCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC001673388126 1356683341 /nfs/dbraw/zinc/68/33/41/1356683341.db2.gz ZSLCZYSGOBDNHJ-IAGOWNOFSA-N 2 2 330.476 2.382 10 30 EEEELP C=CCCC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC001673388126 1356683346 /nfs/dbraw/zinc/68/33/46/1356683346.db2.gz ZSLCZYSGOBDNHJ-IAGOWNOFSA-N 2 2 330.476 2.382 10 30 EEEELP C=C(Cl)C[N@H+]1CC[C@H](CNC(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001437741495 1090302737 /nfs/dbraw/zinc/30/27/37/1090302737.db2.gz QQFMNWOXWJHKBJ-WBVHZDCISA-N 2 2 335.879 2.480 10 30 EEEELP C=C(Cl)C[N@@H+]1CC[C@H](CNC(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001437741495 1090302750 /nfs/dbraw/zinc/30/27/50/1090302750.db2.gz QQFMNWOXWJHKBJ-WBVHZDCISA-N 2 2 335.879 2.480 10 30 EEEELP C=C(Cl)C[NH2+]C[C@H](CCCC)NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001441123493 1094446974 /nfs/dbraw/zinc/44/69/74/1094446974.db2.gz WJUVZMSDPCLUEP-CABCVRRESA-N 2 2 338.883 2.463 10 30 EEEELP C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001443842282 1098356436 /nfs/dbraw/zinc/35/64/36/1098356436.db2.gz KGWDARPRDMGQHP-HOTGVXAUSA-N 2 2 327.900 2.392 10 30 EEEELP C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001443842282 1098356445 /nfs/dbraw/zinc/35/64/45/1098356445.db2.gz KGWDARPRDMGQHP-HOTGVXAUSA-N 2 2 327.900 2.392 10 30 EEEELP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@H+]1CCCCC(F)(F)F ZINC001498998097 1108434960 /nfs/dbraw/zinc/43/49/60/1108434960.db2.gz OBWYGPHWZUHQRU-CABCVRRESA-N 2 2 345.409 2.007 10 30 EEEELP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@@H+]1CCCCC(F)(F)F ZINC001498998097 1108434966 /nfs/dbraw/zinc/43/49/66/1108434966.db2.gz OBWYGPHWZUHQRU-CABCVRRESA-N 2 2 345.409 2.007 10 30 EEEELP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+]1CCCCC(F)(F)F ZINC001498998097 1108434970 /nfs/dbraw/zinc/43/49/70/1108434970.db2.gz OBWYGPHWZUHQRU-CABCVRRESA-N 2 2 345.409 2.007 10 30 EEEELP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+]1CCCCC(F)(F)F ZINC001498998097 1108434972 /nfs/dbraw/zinc/43/49/72/1108434972.db2.gz OBWYGPHWZUHQRU-CABCVRRESA-N 2 2 345.409 2.007 10 30 EEEELP C#CC[N@H+](C)CCC[NH2+]Cc1ccccc1I ZINC001474163972 1110590643 /nfs/dbraw/zinc/59/06/43/1110590643.db2.gz HSCLSWGRQMKCBM-UHFFFAOYSA-N 2 2 342.224 2.336 10 30 EEEELP C#CC[N@@H+](C)CCC[NH2+]Cc1ccccc1I ZINC001474163972 1110590644 /nfs/dbraw/zinc/59/06/44/1110590644.db2.gz HSCLSWGRQMKCBM-UHFFFAOYSA-N 2 2 342.224 2.336 10 30 EEEELP C[C@@H](NC(=O)Cc1c[nH]c[nH+]1)[C@H](C)[NH2+]CC#Cc1ccccc1Cl ZINC001505699058 1114138074 /nfs/dbraw/zinc/13/80/74/1114138074.db2.gz UVBJQRPPIBJCQS-UONOGXRCSA-N 2 2 344.846 2.140 10 30 EEEELP C[NH+]1CCC(CNC(=O)c2cccc(C#N)c2)([NH+]2CCCCC2)CC1 ZINC000172751780 152115929 /nfs/dbraw/zinc/11/59/29/152115929.db2.gz UUHFVXZXFQCBCQ-UHFFFAOYSA-N 2 2 340.471 2.238 10 30 EEEELP C[N@@H+]1CCCC[C@H]1CN1CC[NH+](Cc2ccc(C#N)c(F)c2)CC1 ZINC000192014642 160165585 /nfs/dbraw/zinc/16/55/85/160165585.db2.gz FTQCVQRZNQRFBC-SFHVURJKSA-N 2 2 330.451 2.299 10 30 EEEELP C[N@H+]1CCCC[C@H]1CN1CC[NH+](Cc2ccc(C#N)c(F)c2)CC1 ZINC000192014642 160165586 /nfs/dbraw/zinc/16/55/86/160165586.db2.gz FTQCVQRZNQRFBC-SFHVURJKSA-N 2 2 330.451 2.299 10 30 EEEELP Cc1cn2c([nH+]1)[C@H](CNC(=O)N1CC[N@@H+](C)C[C@H]1C(C)C)CCC2 ZINC000328649627 465087620 /nfs/dbraw/zinc/08/76/20/465087620.db2.gz ITZWPGBQNBSYFO-HOTGVXAUSA-N 2 2 333.480 2.255 10 30 EEEELP Cc1cn2c([nH+]1)[C@H](CNC(=O)N1CC[N@H+](C)C[C@H]1C(C)C)CCC2 ZINC000328649627 465087623 /nfs/dbraw/zinc/08/76/23/465087623.db2.gz ITZWPGBQNBSYFO-HOTGVXAUSA-N 2 2 333.480 2.255 10 30 EEEELP CCc1ocnc1C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000329602583 465384778 /nfs/dbraw/zinc/38/47/78/465384778.db2.gz KXXXYRASBCDBTB-UHFFFAOYSA-N 2 2 334.464 2.492 10 30 EEEELP Cn1cc[nH+]c1CC1CC[NH+](Cc2cnc3ccc(C#N)cn23)CC1 ZINC000121771954 463193483 /nfs/dbraw/zinc/19/34/83/463193483.db2.gz LFPZKRJVHGZPRR-UHFFFAOYSA-N 2 2 334.427 2.394 10 30 EEEELP C[C@H]([NH2+]CCC(=O)N(C)CCC#N)c1cccc(-n2cc[nH+]c2)c1 ZINC000189886427 464560785 /nfs/dbraw/zinc/56/07/85/464560785.db2.gz GUAIPXSDUJINTP-HNNXBMFYSA-N 2 2 325.416 2.285 10 30 EEEELP N#CCCCOc1cccc(C[NH+]2CCC([N@@H+]3CC[C@H](O)C3)CC2)c1 ZINC000597235200 468489607 /nfs/dbraw/zinc/48/96/07/468489607.db2.gz FURREXGKKOEBMF-IBGZPJMESA-N 2 2 343.471 2.400 10 30 EEEELP N#CCCCOc1cccc(C[NH+]2CCC([N@H+]3CC[C@H](O)C3)CC2)c1 ZINC000597235200 468489613 /nfs/dbraw/zinc/48/96/13/468489613.db2.gz FURREXGKKOEBMF-IBGZPJMESA-N 2 2 343.471 2.400 10 30 EEEELP Cn1cc[nH+]c1[C@H](NC(=O)[C@H]([NH3+])CCCCC#N)c1ccccc1 ZINC000594440314 468589495 /nfs/dbraw/zinc/58/94/95/468589495.db2.gz BZYULZMFCNZQFO-HZPDHXFCSA-N 2 2 325.416 2.037 10 30 EEEELP Cc1[nH+]c2ccccc2n1CCCNC(=O)[C@H]([NH3+])CCCCC#N ZINC000594445501 468591984 /nfs/dbraw/zinc/59/19/84/468591984.db2.gz GOCNSVMKTIVFCA-OAHLLOKOSA-N 2 2 327.432 2.262 10 30 EEEELP C=C(C)C[N@H+](C)C[C@@H]1CCCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001266460181 1176575083 /nfs/dbraw/zinc/57/50/83/1176575083.db2.gz XIQAGHLLNKMXIB-IRXDYDNUSA-N 2 2 330.476 2.192 10 30 EEEELP C=C(C)C[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001266460181 1176575095 /nfs/dbraw/zinc/57/50/95/1176575095.db2.gz XIQAGHLLNKMXIB-IRXDYDNUSA-N 2 2 330.476 2.192 10 30 EEEELP CC(C)[C@H](C(=O)NCC[N@H+](C)CC#Cc1ccccc1)[NH+]1CCCC1 ZINC001267232622 1178557591 /nfs/dbraw/zinc/55/75/91/1178557591.db2.gz KYNNQUFDKGMWPV-HXUWFJFHSA-N 2 2 341.499 2.207 10 30 EEEELP CC(C)[C@H](C(=O)NCC[N@@H+](C)CC#Cc1ccccc1)[NH+]1CCCC1 ZINC001267232622 1178557596 /nfs/dbraw/zinc/55/75/96/1178557596.db2.gz KYNNQUFDKGMWPV-HXUWFJFHSA-N 2 2 341.499 2.207 10 30 EEEELP C=CCCC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC001267962685 1180854334 /nfs/dbraw/zinc/85/43/34/1180854334.db2.gz IMPDYCZFMDLERZ-MOPGFXCFSA-N 2 2 349.519 2.177 10 30 EEEELP C=CCCC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC001267962685 1180854353 /nfs/dbraw/zinc/85/43/53/1180854353.db2.gz IMPDYCZFMDLERZ-MOPGFXCFSA-N 2 2 349.519 2.177 10 30 EEEELP C=C(C)C[NH2+][C@H](C)C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001481339849 1181069971 /nfs/dbraw/zinc/06/99/71/1181069971.db2.gz DUNBCBUYPKKAMC-DJIMGWMZSA-N 2 2 330.476 2.316 10 30 EEEELP CC#CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H](CC(C)C)n3cc[nH+]c3)C2)C1 ZINC001269731282 1184566907 /nfs/dbraw/zinc/56/69/07/1184566907.db2.gz HQKCDYJKWPZMGN-QUCCMNQESA-N 2 2 342.487 2.418 10 30 EEEELP CC#CC[N@H+]1CC[C@]2(CCN(C(=O)[C@@H](CC(C)C)n3cc[nH+]c3)C2)C1 ZINC001269731282 1184566911 /nfs/dbraw/zinc/56/69/11/1184566911.db2.gz HQKCDYJKWPZMGN-QUCCMNQESA-N 2 2 342.487 2.418 10 30 EEEELP C=C(C)C[NH+]1CCO[C@H](CNC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001270665872 1185285340 /nfs/dbraw/zinc/28/53/40/1185285340.db2.gz PDXSUKBAPRLJTK-GOSISDBHSA-N 2 2 337.508 2.034 10 30 EEEELP C=C(C)C[NH+]1CCO[C@H](CNC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001270665872 1185285346 /nfs/dbraw/zinc/28/53/46/1185285346.db2.gz PDXSUKBAPRLJTK-GOSISDBHSA-N 2 2 337.508 2.034 10 30 EEEELP C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001270665872 1185285351 /nfs/dbraw/zinc/28/53/51/1185285351.db2.gz PDXSUKBAPRLJTK-GOSISDBHSA-N 2 2 337.508 2.034 10 30 EEEELP C=C(C)C[N@H+]1CCO[C@H](CNC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001270665872 1185285355 /nfs/dbraw/zinc/28/53/55/1185285355.db2.gz PDXSUKBAPRLJTK-GOSISDBHSA-N 2 2 337.508 2.034 10 30 EEEELP C=CCCC[N@H+]1C[C@@H]2CCCN(C(=O)CCc3[nH+]ccn3C)[C@@H]2C1 ZINC001272078740 1187417092 /nfs/dbraw/zinc/41/70/92/1187417092.db2.gz QPBUWRHFXHSDSL-DLBZAZTESA-N 2 2 330.476 2.242 10 30 EEEELP C=CCCC[N@@H+]1C[C@@H]2CCCN(C(=O)CCc3[nH+]ccn3C)[C@@H]2C1 ZINC001272078740 1187417095 /nfs/dbraw/zinc/41/70/95/1187417095.db2.gz QPBUWRHFXHSDSL-DLBZAZTESA-N 2 2 330.476 2.242 10 30 EEEELP C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCn4c[nH+]cc4C3)C[C@@H]2C1 ZINC001691561445 1188263403 /nfs/dbraw/zinc/26/34/03/1188263403.db2.gz GGOIXGVLCCHAJD-KURKYZTESA-N 2 2 342.487 2.192 10 30 EEEELP C=CCCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCn4c[nH+]cc4C3)C[C@@H]2C1 ZINC001691561445 1188263406 /nfs/dbraw/zinc/26/34/06/1188263406.db2.gz GGOIXGVLCCHAJD-KURKYZTESA-N 2 2 342.487 2.192 10 30 EEEELP C=CCCC[N@@H+]1CC[C@]2(NC(=O)CCc3c[nH+]cn3C)CCC[C@H]12 ZINC001486162045 1193707136 /nfs/dbraw/zinc/70/71/36/1193707136.db2.gz YSYSSASGNKEQMH-PKOBYXMFSA-N 2 2 330.476 2.432 10 30 EEEELP C=CCCC[N@H+]1CC[C@]2(NC(=O)CCc3c[nH+]cn3C)CCC[C@H]12 ZINC001486162045 1193707137 /nfs/dbraw/zinc/70/71/37/1193707137.db2.gz YSYSSASGNKEQMH-PKOBYXMFSA-N 2 2 330.476 2.432 10 30 EEEELP C=C(Cl)C[C@H]([NH3+])C(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC000876754037 1199757995 /nfs/dbraw/zinc/75/79/95/1199757995.db2.gz AQSADCHIZWHQOY-CJNGLKHVSA-N 2 2 337.851 2.488 10 30 EEEELP C=CCC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C)[C@@H]1CCCO1 ZINC000883222426 1202032781 /nfs/dbraw/zinc/03/27/81/1202032781.db2.gz TWHOXIMPGIYXOX-JEQQUTEPSA-N 2 2 349.519 2.173 10 30 EEEELP C=CCC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C)[C@@H]1CCCO1 ZINC000883222426 1202032782 /nfs/dbraw/zinc/03/27/82/1202032782.db2.gz TWHOXIMPGIYXOX-JEQQUTEPSA-N 2 2 349.519 2.173 10 30 EEEELP C#CC[NH2+]C[C@H]1CCCC[C@H]1NC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC001275808673 1205544171 /nfs/dbraw/zinc/54/41/71/1205544171.db2.gz XCUZLHBIGICWKF-SJLPKXTDSA-N 2 2 338.455 2.083 10 30 EEEELP C=C(C)CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001277663142 1304120751 /nfs/dbraw/zinc/12/07/51/1304120751.db2.gz SMYXRTSYTYLULH-SJORKVTESA-N 2 2 330.476 2.238 10 30 EEEELP C#CC[N@H+]1CCCN(C(=O)c2oc3ccccc3c2C[NH+](C)C)CC1 ZINC001293715451 1328794430 /nfs/dbraw/zinc/79/44/30/1328794430.db2.gz CFOHGEBGCKXWLM-UHFFFAOYSA-N 2 2 339.439 2.276 10 30 EEEELP C#CC[N@@H+]1CCCN(C(=O)c2oc3ccccc3c2C[NH+](C)C)CC1 ZINC001293715451 1328794434 /nfs/dbraw/zinc/79/44/34/1328794434.db2.gz CFOHGEBGCKXWLM-UHFFFAOYSA-N 2 2 339.439 2.276 10 30 EEEELP CC#CC[N@@H+]1CCC[C@H](NC(=O)[C@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001280747883 1324475161 /nfs/dbraw/zinc/47/51/61/1324475161.db2.gz XLBUTXJMDJLZGB-ROUUACIJSA-N 2 2 330.476 2.464 10 30 EEEELP CC#CC[N@H+]1CCC[C@H](NC(=O)[C@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001280747883 1324475164 /nfs/dbraw/zinc/47/51/64/1324475164.db2.gz XLBUTXJMDJLZGB-ROUUACIJSA-N 2 2 330.476 2.464 10 30 EEEELP C=CCC[NH2+][C@H](CCN(C)C(=O)[C@H]1CCc2[nH+]ccn2C1)C(C)C ZINC001282557367 1325740945 /nfs/dbraw/zinc/74/09/45/1325740945.db2.gz CWNFONNAMHUDDH-DLBZAZTESA-N 2 2 332.492 2.484 10 30 EEEELP C=CCC[C@H](C)[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001283051750 1325901421 /nfs/dbraw/zinc/90/14/21/1325901421.db2.gz DDRGTQQCUOXCMS-QAETUUGQSA-N 2 2 330.476 2.285 10 30 EEEELP C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCn3c[nH+]cc3C2)CC1(C)C ZINC001284292336 1326491520 /nfs/dbraw/zinc/49/15/20/1326491520.db2.gz FOPMMBLVRUUWOW-DOTOQJQBSA-N 2 2 330.476 2.238 10 30 EEEELP C=CCCC[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CC[C@@H]1C(F)(F)F ZINC001284738386 1326690185 /nfs/dbraw/zinc/69/01/85/1326690185.db2.gz YHPSSJPMFXFUGG-UONOGXRCSA-N 2 2 344.381 2.287 10 30 EEEELP C=CCC[C@@H](C)[N@H+](C)C[C@@H]1CCCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001317038849 1332054716 /nfs/dbraw/zinc/05/47/16/1332054716.db2.gz HEIMVSOZILZNML-SJORKVTESA-N 2 2 332.492 2.488 10 30 EEEELP C=CCC[C@@H](C)[N@@H+](C)C[C@@H]1CCCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001317038849 1332054718 /nfs/dbraw/zinc/05/47/18/1332054718.db2.gz HEIMVSOZILZNML-SJORKVTESA-N 2 2 332.492 2.488 10 30 EEEELP C#CC[NH2+]CC[C@H]1CCCN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001318806335 1332601914 /nfs/dbraw/zinc/60/19/14/1332601914.db2.gz UWNLDAPZZXQIDQ-MSOLQXFVSA-N 2 2 330.476 2.322 10 30 EEEELP C=CCC[NH2+]CCC1CCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC001318897186 1332620103 /nfs/dbraw/zinc/62/01/03/1332620103.db2.gz YRSJACUCZFXXBH-QGZVFWFLSA-N 2 2 330.476 2.240 10 30 EEEELP CC#CC[NH2+]Cc1ccc(CNC(=O)c2cccc3[nH+]ccn32)cc1 ZINC001318999472 1332635379 /nfs/dbraw/zinc/63/53/79/1332635379.db2.gz XSNLHWSLRKYHFP-UHFFFAOYSA-N 2 2 332.407 2.377 10 30 EEEELP C[C@@H](CCNC(=O)Cc1[nH]cc[nH+]1)[NH2+]CC#Cc1ccccc1Cl ZINC001328429659 1334457891 /nfs/dbraw/zinc/45/78/91/1334457891.db2.gz UBPJMZQFQBBSQL-AWEZNQCLSA-N 2 2 344.846 2.142 10 30 EEEELP C=CCC[NH2+][C@H](C)[C@H]1CN(C(=O)c2c(C)cc(C)[nH+]c2C)CCO1 ZINC001330403777 1334837307 /nfs/dbraw/zinc/83/73/07/1334837307.db2.gz KIOWKVWACIZKTQ-NVXWUHKLSA-N 2 2 331.460 2.402 10 30 EEEELP C=C(C)CC[NH2+][C@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1(C)C ZINC001332423423 1335821575 /nfs/dbraw/zinc/82/15/75/1335821575.db2.gz OFGADBWWPVHUBE-INMHGKMJSA-N 2 2 330.476 2.316 10 30 EEEELP C=CC[NH2+][C@H]1CN(C(=O)CCCn2cc[nH+]c2)CC[C@H]1C(F)(F)F ZINC001333020012 1335948649 /nfs/dbraw/zinc/94/86/49/1335948649.db2.gz BSKAZYZQJGEIFO-KGLIPLIRSA-N 2 2 344.381 2.218 10 30 EEEELP CC#CC[N@@H+]1Cc2ccc(CNC(=O)[C@H](F)C[NH+](CC)CC)cc2C1 ZINC001502650515 1342220476 /nfs/dbraw/zinc/22/04/76/1342220476.db2.gz CRVJBGWLXAJEBO-LJQANCHMSA-N 2 2 345.462 2.322 10 30 EEEELP C#CC[N@H+](CC1CC1)C1CCN(C(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001569452429 1342872880 /nfs/dbraw/zinc/87/28/80/1342872880.db2.gz WMSJGTDEZXLDHK-INIZCTEOSA-N 2 2 328.460 2.170 10 30 EEEELP C#CC[N@@H+](CC1CC1)C1CCN(C(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001569452429 1342872885 /nfs/dbraw/zinc/87/28/85/1342872885.db2.gz WMSJGTDEZXLDHK-INIZCTEOSA-N 2 2 328.460 2.170 10 30 EEEELP C[N@@H+]1CCC[C@@H]1CCC(=O)N1CCC([NH+](CC#N)CC2CC2)CC1 ZINC001569452567 1342873260 /nfs/dbraw/zinc/87/32/60/1342873260.db2.gz UMFAYSQSBBWYJE-QGZVFWFLSA-N 2 2 332.492 2.087 10 30 EEEELP C[N@H+]1CCC[C@@H]1CCC(=O)N1CCC([NH+](CC#N)CC2CC2)CC1 ZINC001569452567 1342873262 /nfs/dbraw/zinc/87/32/62/1342873262.db2.gz UMFAYSQSBBWYJE-QGZVFWFLSA-N 2 2 332.492 2.087 10 30 EEEELP C[NH+]1CCC[C@@H]1CCC(=O)N1CCC([N@H+](CC#N)CC2CC2)CC1 ZINC001569452567 1342873267 /nfs/dbraw/zinc/87/32/67/1342873267.db2.gz UMFAYSQSBBWYJE-QGZVFWFLSA-N 2 2 332.492 2.087 10 30 EEEELP C[NH+]1CCC[C@@H]1CCC(=O)N1CCC([N@@H+](CC#N)CC2CC2)CC1 ZINC001569452567 1342873271 /nfs/dbraw/zinc/87/32/71/1342873271.db2.gz UMFAYSQSBBWYJE-QGZVFWFLSA-N 2 2 332.492 2.087 10 30 EEEELP C=CCC[NH2+]C[C@]1(C)CCN(C(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001569669208 1342920263 /nfs/dbraw/zinc/92/02/63/1342920263.db2.gz JKRUTDNTFJXKFJ-IBGZPJMESA-N 2 2 330.476 2.166 10 30 EEEELP C#CCC[N@@H+](C)C1CCN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001571331885 1343185993 /nfs/dbraw/zinc/18/59/93/1343185993.db2.gz LYVICLWKPIMFSJ-SFHVURJKSA-N 2 2 330.476 2.416 10 30 EEEELP C#CCC[N@H+](C)C1CCN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001571331885 1343186011 /nfs/dbraw/zinc/18/60/11/1343186011.db2.gz LYVICLWKPIMFSJ-SFHVURJKSA-N 2 2 330.476 2.416 10 30 EEEELP C#CC[NH+]1CCC2(C[C@H]2NC(=O)[C@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001661066927 1354584571 /nfs/dbraw/zinc/58/45/71/1354584571.db2.gz RPDRZQQDMJNPNB-DLBZAZTESA-N 2 2 328.460 2.074 10 30 EEEELP C=CCOCC[NH2+]C[C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@@H]1C ZINC001672287730 1356494513 /nfs/dbraw/zinc/49/45/13/1356494513.db2.gz QBANCABGPBNEGB-GOEBONIOSA-N 2 2 342.443 2.063 10 30 EEEELP C#CCC[NH2+]C1(C)CCN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001673961346 1356765485 /nfs/dbraw/zinc/76/54/85/1356765485.db2.gz LGRSSBKPXMSGNH-KRWDZBQOSA-N 2 2 330.476 2.464 10 30 EEEELP CC#CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)[C@@H](CC)[NH+](C)C ZINC001674271650 1356810508 /nfs/dbraw/zinc/81/05/08/1356810508.db2.gz LQDCBRVXUUISIR-RTBURBONSA-N 2 2 327.472 2.066 10 30 EEEELP CC#CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)[C@@H](CC)[NH+](C)C ZINC001674271650 1356810506 /nfs/dbraw/zinc/81/05/06/1356810506.db2.gz LQDCBRVXUUISIR-RTBURBONSA-N 2 2 327.472 2.066 10 30 EEEELP C=CCCC[N@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001698580833 1404899567 /nfs/dbraw/zinc/89/95/67/1404899567.db2.gz KUAZXUMUOUOWJH-SJORKVTESA-N 2 2 330.476 2.335 10 30 EEEELP C=CCCC[N@@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001698580833 1404899574 /nfs/dbraw/zinc/89/95/74/1404899574.db2.gz KUAZXUMUOUOWJH-SJORKVTESA-N 2 2 330.476 2.335 10 30 EEEELP C=CC[NH+]1CC[C@@H](NC(=O)c2cc([C@@H]3CCC[N@H+]3C)n[nH]2)C(C)(C)C1 ZINC000940764513 779241454 /nfs/dbraw/zinc/24/14/54/779241454.db2.gz LLAFVEANZSGSSV-DLBZAZTESA-N 2 2 345.491 2.193 10 30 EEEELP C=CC[NH+]1CC[C@@H](NC(=O)c2cc([C@@H]3CCC[N@@H+]3C)n[nH]2)C(C)(C)C1 ZINC000940764513 779241460 /nfs/dbraw/zinc/24/14/60/779241460.db2.gz LLAFVEANZSGSSV-DLBZAZTESA-N 2 2 345.491 2.193 10 30 EEEELP C=CC[N@H+]1CC[C@@H](NC(=O)c2cc([C@@H]3CCC[NH+]3C)n[nH]2)C(C)(C)C1 ZINC000940764513 779241466 /nfs/dbraw/zinc/24/14/66/779241466.db2.gz LLAFVEANZSGSSV-DLBZAZTESA-N 2 2 345.491 2.193 10 30 EEEELP C=CC[N@@H+]1CC[C@@H](NC(=O)c2cc([C@@H]3CCC[NH+]3C)n[nH]2)C(C)(C)C1 ZINC000940764513 779241473 /nfs/dbraw/zinc/24/14/73/779241473.db2.gz LLAFVEANZSGSSV-DLBZAZTESA-N 2 2 345.491 2.193 10 30 EEEELP C=CC[N@@H+]1CC[C@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C(C)(C)C1 ZINC000940765687 779244697 /nfs/dbraw/zinc/24/46/97/779244697.db2.gz VFAXCDPBZIDAIX-INIZCTEOSA-N 2 2 330.476 2.165 10 30 EEEELP C=CC[N@H+]1CC[C@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C(C)(C)C1 ZINC000940765687 779244701 /nfs/dbraw/zinc/24/47/01/779244701.db2.gz VFAXCDPBZIDAIX-INIZCTEOSA-N 2 2 330.476 2.165 10 30 EEEELP CC#CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001565964062 1125475960 /nfs/dbraw/zinc/47/59/60/1125475960.db2.gz KCDPZDLNPIDXII-QAPCUYQASA-N 2 2 338.455 2.496 10 30 EEEELP C=CCC[NH2+]Cc1ccc(CNC(=O)[C@H]2CCc3[nH+]ccn3C2)cc1 ZINC001495489823 1101199486 /nfs/dbraw/zinc/19/94/86/1101199486.db2.gz NOVZGIRWSZHTEV-SFHVURJKSA-N 2 2 338.455 2.428 10 30 EEEELP C=CCCC[N@@H+]1CCO[C@@H](CNC(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001495885478 1101716159 /nfs/dbraw/zinc/71/61/59/1101716159.db2.gz RJEWNYAJEPPUTB-RBUKOAKNSA-N 2 2 345.487 2.073 10 30 EEEELP C=CCCC[N@H+]1CCO[C@@H](CNC(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001495885478 1101716176 /nfs/dbraw/zinc/71/61/76/1101716176.db2.gz RJEWNYAJEPPUTB-RBUKOAKNSA-N 2 2 345.487 2.073 10 30 EEEELP C=C(C)C[NH2+]CCC[C@H](C)NC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1 ZINC001506924588 1114977825 /nfs/dbraw/zinc/97/78/25/1114977825.db2.gz WLLDGECOZRJUCU-WMLDXEAASA-N 2 2 333.480 2.241 10 30 EEEELP C=C(C)C[NH2+]CCC[C@H](C)NC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1 ZINC001506924588 1114977829 /nfs/dbraw/zinc/97/78/29/1114977829.db2.gz WLLDGECOZRJUCU-WMLDXEAASA-N 2 2 333.480 2.241 10 30 EEEELP C=C(C)C[NH2+][C@@H](C)[C@H]1CCCN(C(=O)Cc2c[nH+]ccc2OC)C1 ZINC001568408466 1124478302 /nfs/dbraw/zinc/47/83/02/1124478302.db2.gz ZXURPYKZJXSIKM-HOTGVXAUSA-N 2 2 331.460 2.426 10 30 EEEELP O=C(NCc1cccc(-n2cc[nH+]c2)c1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000329464028 539774907 /nfs/dbraw/zinc/77/49/07/539774907.db2.gz QXFCUSZJBQWLLQ-SFHVURJKSA-N 2 2 339.443 2.456 10 30 EEEELP O=C(NCc1cccc(-n2cc[nH+]c2)c1)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000329464028 539774913 /nfs/dbraw/zinc/77/49/13/539774913.db2.gz QXFCUSZJBQWLLQ-SFHVURJKSA-N 2 2 339.443 2.456 10 30 EEEELP N#CC1(c2ccc(C[N@@H+]3CC[C@H](C[NH+]4CCOCC4)C3)cc2)CC1 ZINC000597013610 468417881 /nfs/dbraw/zinc/41/78/81/468417881.db2.gz IVPGQTKPZRCUQI-GOSISDBHSA-N 2 2 325.456 2.396 10 30 EEEELP N#CC1(c2ccc(C[N@H+]3CC[C@H](C[NH+]4CCOCC4)C3)cc2)CC1 ZINC000597013610 468417889 /nfs/dbraw/zinc/41/78/89/468417889.db2.gz IVPGQTKPZRCUQI-GOSISDBHSA-N 2 2 325.456 2.396 10 30 EEEELP Cc1cn2c([nH+]1)[C@H](C[NH+]=C([O-])NC[C@@H]1CCc3[nH+]ccn3C1)CCC2 ZINC000329893232 465464006 /nfs/dbraw/zinc/46/40/06/465464006.db2.gz ARWTWEFARBVZTH-GJZGRUSLSA-N 2 2 342.447 2.032 10 30 EEEELP Cc1cn2c([nH+]1)[C@H](CNC([O-])=[NH+]C[C@@H]1CCc3[nH+]ccn3C1)CCC2 ZINC000329893232 465464007 /nfs/dbraw/zinc/46/40/07/465464007.db2.gz ARWTWEFARBVZTH-GJZGRUSLSA-N 2 2 342.447 2.032 10 30 EEEELP C=CC[NH+](CC=C)[C@H](CNC(=O)C1([NH+]2CCOCC2)CCC1)C(C)C ZINC000360513346 465573333 /nfs/dbraw/zinc/57/33/33/465573333.db2.gz XQUGCYBYPNXTNQ-GOSISDBHSA-N 2 2 349.519 2.056 10 30 EEEELP Cc1cc(C[NH+]2CCN(c3cc[nH+]c(N(C)C)n3)CC2)ccc1C#N ZINC000488176738 468075377 /nfs/dbraw/zinc/07/53/77/468075377.db2.gz DCHDIAMYZHCUOO-UHFFFAOYSA-N 2 2 336.443 2.045 10 30 EEEELP COc1cc(C[NH2+]C[C@@H](O)C[N@H+](C)Cc2ccccc2)ccc1C#N ZINC000591766810 468516938 /nfs/dbraw/zinc/51/69/38/468516938.db2.gz SKJBPBFIVATRAW-LJQANCHMSA-N 2 2 339.439 2.149 10 30 EEEELP COc1cc(C[NH2+]C[C@@H](O)C[N@@H+](C)Cc2ccccc2)ccc1C#N ZINC000591766810 468516942 /nfs/dbraw/zinc/51/69/42/468516942.db2.gz SKJBPBFIVATRAW-LJQANCHMSA-N 2 2 339.439 2.149 10 30 EEEELP N#CCCCC[C@@H]([NH3+])C(=O)N1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000594437008 468586587 /nfs/dbraw/zinc/58/65/87/468586587.db2.gz SAJHODMRYINSEF-QGZVFWFLSA-N 2 2 348.878 2.395 10 30 EEEELP Cn1c2ccc(CNC(=O)[C@H]([NH3+])CCCCC#N)cc2[nH+]c1C1CC1 ZINC000594469620 468598023 /nfs/dbraw/zinc/59/80/23/468598023.db2.gz GRFCAXANTQPERB-OAHLLOKOSA-N 2 2 339.443 2.478 10 30 EEEELP C=CC[C@@]1(C(=O)NCc2ccc(N3CCCCC3)[nH+]c2)CCC[NH2+]1 ZINC000662675334 472199865 /nfs/dbraw/zinc/19/98/65/472199865.db2.gz LNGSBGFWERUTSU-IBGZPJMESA-N 2 2 328.460 2.386 10 30 EEEELP C=CC[C@@]1(C(=O)N(C)Cc2[nH+]ccn2CC(F)(F)F)CCC[NH2+]1 ZINC000662712809 472219271 /nfs/dbraw/zinc/21/92/71/472219271.db2.gz KYKZOTCNJHXPMJ-AWEZNQCLSA-N 2 2 330.354 2.102 10 30 EEEELP C[NH+]1CCC(C/N=C\c2cccc(O)c2O)([NH+]2CCCCC2)CC1 ZINC000741843179 578125116 /nfs/dbraw/zinc/12/51/16/578125116.db2.gz JSUKAZIPPPSEGW-ZHZULCJRSA-N 2 2 331.460 2.467 10 30 EEEELP CC#CC[NH2+][C@@H](C)C1CCN(C(=O)Cc2cn3c([nH+]2)CCCC3)CC1 ZINC001267184629 1178446906 /nfs/dbraw/zinc/44/69/06/1178446906.db2.gz BMNOHPDSPFHTFB-INIZCTEOSA-N 2 2 342.487 2.002 10 30 EEEELP C=CCCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)[C@H]1CC ZINC001691485667 1179469745 /nfs/dbraw/zinc/46/97/45/1179469745.db2.gz NUJVLFJEFCFDET-BPQIPLTHSA-N 2 2 330.476 2.381 10 30 EEEELP C=CCCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)[C@H]1CC ZINC001691485667 1179469748 /nfs/dbraw/zinc/46/97/48/1179469748.db2.gz NUJVLFJEFCFDET-BPQIPLTHSA-N 2 2 330.476 2.381 10 30 EEEELP C#CCC[NH2+]C[C@@](C)(NC(=O)Cc1cn2cccc(C)c2[nH+]1)C1CC1 ZINC001267862339 1180646776 /nfs/dbraw/zinc/64/67/76/1180646776.db2.gz KYLHVACWBCXVEA-HXUWFJFHSA-N 2 2 338.455 2.083 10 30 EEEELP C[C@H](C[N@H+](C)CC#Cc1ccc(F)cc1)NC(=O)[C@H]1CCCC[NH+]1C ZINC001268736164 1183657587 /nfs/dbraw/zinc/65/75/87/1183657587.db2.gz QNRBXWWNHIXGDO-VQIMIIECSA-N 2 2 345.462 2.098 10 30 EEEELP C[C@H](C[N@@H+](C)CC#Cc1ccc(F)cc1)NC(=O)[C@H]1CCCC[NH+]1C ZINC001268736164 1183657592 /nfs/dbraw/zinc/65/75/92/1183657592.db2.gz QNRBXWWNHIXGDO-VQIMIIECSA-N 2 2 345.462 2.098 10 30 EEEELP C[C@H](C[NH+](C)CC#Cc1ccc(F)cc1)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001268736164 1183657595 /nfs/dbraw/zinc/65/75/95/1183657595.db2.gz QNRBXWWNHIXGDO-VQIMIIECSA-N 2 2 345.462 2.098 10 30 EEEELP C=C(C)CC[NH2+]CC1(NC(=O)[C@H]2CCc3c[nH+]cn3C2)CCCC1 ZINC001269559139 1184391871 /nfs/dbraw/zinc/39/18/71/1184391871.db2.gz UAIZRERUJVYGFN-INIZCTEOSA-N 2 2 330.476 2.430 10 30 EEEELP C=CCC[NH+]1CCC(CCNC(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC001270124415 1184865744 /nfs/dbraw/zinc/86/57/44/1184865744.db2.gz BQKQZOQYHSEODH-QGZVFWFLSA-N 2 2 330.476 2.240 10 30 EEEELP C=CC[NH2+]C[C@@H](CC(C)C)NC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1 ZINC001482386682 1185584031 /nfs/dbraw/zinc/58/40/31/1185584031.db2.gz VJNSCUHLWNPPBW-PBHICJAKSA-N 2 2 333.480 2.097 10 30 EEEELP C=CC[NH2+]C[C@@H](CC(C)C)NC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1 ZINC001482386682 1185584034 /nfs/dbraw/zinc/58/40/34/1185584034.db2.gz VJNSCUHLWNPPBW-PBHICJAKSA-N 2 2 333.480 2.097 10 30 EEEELP C#CCC[NH2+]C[C@H](NC(=O)[C@H]1CCc2[nH+]ccn2C1)C1CCCCC1 ZINC001482405391 1185627264 /nfs/dbraw/zinc/62/72/64/1185627264.db2.gz CTKBUQGFMOURPJ-ROUUACIJSA-N 2 2 342.487 2.124 10 30 EEEELP C=CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001271110139 1185893257 /nfs/dbraw/zinc/89/32/57/1185893257.db2.gz QTVHKNUSLOOJFB-HOTGVXAUSA-N 2 2 343.462 2.366 10 30 EEEELP C=CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001271110139 1185893262 /nfs/dbraw/zinc/89/32/62/1185893262.db2.gz QTVHKNUSLOOJFB-HOTGVXAUSA-N 2 2 343.462 2.366 10 30 EEEELP CC#CC[NH2+][C@H](CNC(=O)Cn1cc[nH+]c1C)c1ccccc1CC ZINC001271463226 1186252195 /nfs/dbraw/zinc/25/21/95/1186252195.db2.gz YARJBCDHONARHM-LJQANCHMSA-N 2 2 338.455 2.224 10 30 EEEELP C#CCN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C1CC[NH+](CC=C(C)C)CC1 ZINC001483985511 1191143037 /nfs/dbraw/zinc/14/30/37/1191143037.db2.gz ZELHRCFTAMKQBP-QZTJIDSGSA-N 2 2 340.471 2.406 10 30 EEEELP C#CCN(C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C1CC[NH+](CC=C(C)C)CC1 ZINC001483985511 1191143039 /nfs/dbraw/zinc/14/30/39/1191143039.db2.gz ZELHRCFTAMKQBP-QZTJIDSGSA-N 2 2 340.471 2.406 10 30 EEEELP C#CCN(C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C1CC[NH+](CCC=C)CC1 ZINC001483987081 1191143205 /nfs/dbraw/zinc/14/32/05/1191143205.db2.gz CNNOHJHJZBJCHW-QZTJIDSGSA-N 2 2 340.471 2.026 10 30 EEEELP C=CCC[NH2+]C[C@H](NC(=O)[C@@H]1CCn2cc[nH+]c2C1)C1CCCC1 ZINC001484003297 1191151859 /nfs/dbraw/zinc/15/18/59/1191151859.db2.gz RXXNOXITNGRWCF-SJORKVTESA-N 2 2 330.476 2.286 10 30 EEEELP C=C(Cl)C[NH2+][C@H](CCNC(=O)[C@H]1CCc2[nH+]ccn2C1)C(C)C ZINC001410248837 1197631882 /nfs/dbraw/zinc/63/18/82/1197631882.db2.gz PIWAPGYEGNQLMH-LSDHHAIUSA-N 2 2 338.883 2.319 10 30 EEEELP COC(=O)[C@@H](c1ccc(C#N)cc1)[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000866665601 1201574329 /nfs/dbraw/zinc/57/43/29/1201574329.db2.gz HCNFPOWWKMVUTL-ZWKOTPCHSA-N 2 2 327.428 2.094 10 30 EEEELP C[C@@H]([NH2+]CC#Cc1cccc(Cl)c1)[C@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001275530901 1205397488 /nfs/dbraw/zinc/39/74/88/1205397488.db2.gz ZEJLDDWCJOPWKS-KGLIPLIRSA-N 2 2 344.846 2.140 10 30 EEEELP CCCC[C@@H](C[NH2+]CC#CCOC)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001276255373 1205858081 /nfs/dbraw/zinc/85/80/81/1205858081.db2.gz OBZTTYUCBWWZGH-INIZCTEOSA-N 2 2 342.443 2.091 10 30 EEEELP [NH2+]=C(NCCc1cccs1)NCC[N@@H+]1CCc2sccc2C1 ZINC000303881412 1213920338 /nfs/dbraw/zinc/92/03/38/1213920338.db2.gz KWLGYECTFKZLPB-UHFFFAOYSA-N 2 2 334.514 2.315 10 30 EEEELP [NH2+]=C(NCCc1cccs1)NCC[N@H+]1CCc2sccc2C1 ZINC000303881412 1213920343 /nfs/dbraw/zinc/92/03/43/1213920343.db2.gz KWLGYECTFKZLPB-UHFFFAOYSA-N 2 2 334.514 2.315 10 30 EEEELP C=CCCC[N@@H+](C)C[C@@H]1CCCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC001490774745 1291721152 /nfs/dbraw/zinc/72/11/52/1291721152.db2.gz DLQCVFXNIGCGLQ-KRWDZBQOSA-N 2 2 332.492 2.489 10 30 EEEELP C=CCCC[N@H+](C)C[C@@H]1CCCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC001490774745 1291721159 /nfs/dbraw/zinc/72/11/59/1291721159.db2.gz DLQCVFXNIGCGLQ-KRWDZBQOSA-N 2 2 332.492 2.489 10 30 EEEELP C=C(C)CC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001277663136 1304120950 /nfs/dbraw/zinc/12/09/50/1304120950.db2.gz SMYXRTSYTYLULH-DLBZAZTESA-N 2 2 330.476 2.238 10 30 EEEELP C#CCN(C(=O)CCc1c[nH+]cn1C)C1CC[NH+](CCCCC)CC1 ZINC001278200430 1306282946 /nfs/dbraw/zinc/28/29/46/1306282946.db2.gz IHAGAHMKMLRLLU-UHFFFAOYSA-N 2 2 344.503 2.469 10 30 EEEELP C#CC[NH+]1CCC([C@@H]2CCCN(C(=O)CCCn3cc[nH+]c3)C2)CC1 ZINC001278964180 1318854720 /nfs/dbraw/zinc/85/47/20/1318854720.db2.gz OCMQTKUMKPZHBJ-LJQANCHMSA-N 2 2 342.487 2.247 10 30 EEEELP C=CCC[C@H](C)[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001264425756 1322698051 /nfs/dbraw/zinc/69/80/51/1322698051.db2.gz FPYBWTKWAOXAJU-NXOAAHMSSA-N 2 2 330.476 2.285 10 30 EEEELP C=CC[NH2+]C1(CC)CCN(C(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)CC1 ZINC001281035487 1324733610 /nfs/dbraw/zinc/73/36/10/1324733610.db2.gz CBIQPCUMWUCDRZ-SFHVURJKSA-N 2 2 349.519 2.177 10 30 EEEELP C=CC[NH2+]C1(CC)CCN(C(=O)[C@@H]2COCC[N@H+]2C2CCCC2)CC1 ZINC001281035487 1324733615 /nfs/dbraw/zinc/73/36/15/1324733615.db2.gz CBIQPCUMWUCDRZ-SFHVURJKSA-N 2 2 349.519 2.177 10 30 EEEELP C=CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001281775315 1325445174 /nfs/dbraw/zinc/44/51/74/1325445174.db2.gz AULOCYXRUPMWOP-GOSISDBHSA-N 2 2 327.472 2.372 10 30 EEEELP C=CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001281775315 1325445176 /nfs/dbraw/zinc/44/51/76/1325445176.db2.gz AULOCYXRUPMWOP-GOSISDBHSA-N 2 2 327.472 2.372 10 30 EEEELP C=CCC[C@@H](C)[NH+]1CCC(CO)(NC(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001281821219 1325474870 /nfs/dbraw/zinc/47/48/70/1325474870.db2.gz YTIRQALYMAIJFS-SJORKVTESA-N 2 2 348.491 2.132 10 30 EEEELP Cc1cn(C(C)(C)C(=O)N(C)CC[NH2+]Cc2ccc(C#N)s2)c[nH+]1 ZINC001317598469 1332318032 /nfs/dbraw/zinc/31/80/32/1332318032.db2.gz IJVDNXMMOZYZLG-UHFFFAOYSA-N 2 2 345.472 2.108 10 30 EEEELP C=CC[NH2+]C1(CC)CCN(C(=O)Cc2cn3c([nH+]2)CCCC3)CC1 ZINC001327449761 1334294475 /nfs/dbraw/zinc/29/44/75/1334294475.db2.gz RRTZEGQDLTYFBF-UHFFFAOYSA-N 2 2 330.476 2.309 10 30 EEEELP C=CCOCC[N@@H+]1CC[C@]2(NC(=O)C[C@H](C)n3cc[nH+]c3)CCC[C@@H]12 ZINC001332114644 1335732885 /nfs/dbraw/zinc/73/28/85/1335732885.db2.gz YDBFPQDISBPOLL-YQVWRLOYSA-N 2 2 346.475 2.150 10 30 EEEELP C=CCOCC[N@H+]1CC[C@]2(NC(=O)C[C@H](C)n3cc[nH+]c3)CCC[C@@H]12 ZINC001332114644 1335732888 /nfs/dbraw/zinc/73/28/88/1335732888.db2.gz YDBFPQDISBPOLL-YQVWRLOYSA-N 2 2 346.475 2.150 10 30 EEEELP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](C)Cc1ccc(Cl)s1 ZINC001663201291 1354934680 /nfs/dbraw/zinc/93/46/80/1354934680.db2.gz OUIZHDLZIVXDCT-AWEZNQCLSA-N 2 2 339.892 2.047 10 30 EEEELP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@H+](C)Cc1ccc(Cl)s1 ZINC001663201291 1354934682 /nfs/dbraw/zinc/93/46/82/1354934682.db2.gz OUIZHDLZIVXDCT-AWEZNQCLSA-N 2 2 339.892 2.047 10 30 EEEELP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH+](C)Cc1ccc(Cl)s1 ZINC001663201291 1354934686 /nfs/dbraw/zinc/93/46/86/1354934686.db2.gz OUIZHDLZIVXDCT-AWEZNQCLSA-N 2 2 339.892 2.047 10 30 EEEELP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](C)Cc1ccc(Cl)s1 ZINC001663201291 1354934688 /nfs/dbraw/zinc/93/46/88/1354934688.db2.gz OUIZHDLZIVXDCT-AWEZNQCLSA-N 2 2 339.892 2.047 10 30 EEEELP C=CCCC[NH+]1CC[C@@H](CNC(=O)c2cc([C@@H]3CCC[N@H+]3C)n[nH]2)C1 ZINC001663587332 1354993685 /nfs/dbraw/zinc/99/36/85/1354993685.db2.gz IZYLKBFFQBGXSF-YJBOKZPZSA-N 2 2 345.491 2.194 10 30 EEEELP C=CCCC[NH+]1CC[C@@H](CNC(=O)c2cc([C@@H]3CCC[N@@H+]3C)n[nH]2)C1 ZINC001663587332 1354993688 /nfs/dbraw/zinc/99/36/88/1354993688.db2.gz IZYLKBFFQBGXSF-YJBOKZPZSA-N 2 2 345.491 2.194 10 30 EEEELP C=CCCC[N@H+]1CC[C@@H](CNC(=O)c2cc([C@@H]3CCC[NH+]3C)n[nH]2)C1 ZINC001663587332 1354993695 /nfs/dbraw/zinc/99/36/95/1354993695.db2.gz IZYLKBFFQBGXSF-YJBOKZPZSA-N 2 2 345.491 2.194 10 30 EEEELP C=CCCC[N@@H+]1CC[C@@H](CNC(=O)c2cc([C@@H]3CCC[NH+]3C)n[nH]2)C1 ZINC001663587332 1354993697 /nfs/dbraw/zinc/99/36/97/1354993697.db2.gz IZYLKBFFQBGXSF-YJBOKZPZSA-N 2 2 345.491 2.194 10 30 EEEELP C=C(C)C[N@H+]1CCC[C@](C)(CNC(=O)Cc2c[nH+]ccc2OC)C1 ZINC001671891564 1356432155 /nfs/dbraw/zinc/43/21/55/1356432155.db2.gz DDDUFKCRHBLKNR-LJQANCHMSA-N 2 2 331.460 2.427 10 30 EEEELP C=C(C)C[N@@H+]1CCC[C@](C)(CNC(=O)Cc2c[nH+]ccc2OC)C1 ZINC001671891564 1356432159 /nfs/dbraw/zinc/43/21/59/1356432159.db2.gz DDDUFKCRHBLKNR-LJQANCHMSA-N 2 2 331.460 2.427 10 30 EEEELP C=C(C)C[NH2+]C[C@H]1CC[C@H](NC(=O)Cc2c[nH+]ccc2OC)CC1 ZINC001672970164 1356624619 /nfs/dbraw/zinc/62/46/19/1356624619.db2.gz OYYGUCHXTVAFHI-JCNLHEQBSA-N 2 2 331.460 2.473 10 30 EEEELP C#CC[NH+]1Cc2ccccc2C[C@H]1CNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001673634785 1356722130 /nfs/dbraw/zinc/72/21/30/1356722130.db2.gz VLQIBTUSEBSADN-PMACEKPBSA-N 2 2 339.483 2.037 10 30 EEEELP C#CC[NH+]1Cc2ccccc2C[C@H]1CNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001673634785 1356722131 /nfs/dbraw/zinc/72/21/31/1356722131.db2.gz VLQIBTUSEBSADN-PMACEKPBSA-N 2 2 339.483 2.037 10 30 EEEELP C#CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001673634785 1356722132 /nfs/dbraw/zinc/72/21/32/1356722132.db2.gz VLQIBTUSEBSADN-PMACEKPBSA-N 2 2 339.483 2.037 10 30 EEEELP C#CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001673634785 1356722133 /nfs/dbraw/zinc/72/21/33/1356722133.db2.gz VLQIBTUSEBSADN-PMACEKPBSA-N 2 2 339.483 2.037 10 30 EEEELP C[NH+](C)CC#CCNC(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000913520633 788962631 /nfs/dbraw/zinc/96/26/31/788962631.db2.gz VRPRZKMELLITCT-KRWDZBQOSA-N 2 2 342.487 2.174 10 30 EEEELP C[N@H+](CCNC(=O)[C@@H]1CC[C@H]2CCCC[NH+]21)Cc1ccc(C#N)s1 ZINC001437479724 1089829395 /nfs/dbraw/zinc/82/93/95/1089829395.db2.gz ARTIFXPMIVPGEV-PBHICJAKSA-N 2 2 346.500 2.185 10 30 EEEELP C[N@@H+](CCNC(=O)[C@@H]1CC[C@H]2CCCC[NH+]21)Cc1ccc(C#N)s1 ZINC001437479724 1089829404 /nfs/dbraw/zinc/82/94/04/1089829404.db2.gz ARTIFXPMIVPGEV-PBHICJAKSA-N 2 2 346.500 2.185 10 30 EEEELP C[NH+](CCNC(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21)Cc1ccc(C#N)s1 ZINC001437479724 1089829419 /nfs/dbraw/zinc/82/94/19/1089829419.db2.gz ARTIFXPMIVPGEV-PBHICJAKSA-N 2 2 346.500 2.185 10 30 EEEELP C[NH+](CCNC(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21)Cc1ccc(C#N)s1 ZINC001437479724 1089829435 /nfs/dbraw/zinc/82/94/35/1089829435.db2.gz ARTIFXPMIVPGEV-PBHICJAKSA-N 2 2 346.500 2.185 10 30 EEEELP Cc1cn(C(C)(C)C(=O)N[C@@H](C)C[NH2+]Cc2ccc(C#N)cc2)c[nH+]1 ZINC001445576830 1091360858 /nfs/dbraw/zinc/36/08/58/1091360858.db2.gz PMWMPJLKRBOTGB-AWEZNQCLSA-N 2 2 339.443 2.093 10 30 EEEELP C=C(Cl)C[NH+]1CCC2(CN(C(=O)CCCn3cc[nH+]c3)C2)CC1 ZINC001440240084 1093326060 /nfs/dbraw/zinc/32/60/60/1093326060.db2.gz MCXBIXGBPOOLLY-UHFFFAOYSA-N 2 2 336.867 2.340 10 30 EEEELP C[N@@H+](CC#Cc1ccc(Cl)cc1)CCCNC(=O)Cn1cc[nH+]c1 ZINC001479816504 1099090281 /nfs/dbraw/zinc/09/02/81/1099090281.db2.gz KFVIKPLCDFQHED-UHFFFAOYSA-N 2 2 344.846 2.026 10 30 EEEELP C[N@H+](CC#Cc1ccc(Cl)cc1)CCCNC(=O)Cn1cc[nH+]c1 ZINC001479816504 1099090292 /nfs/dbraw/zinc/09/02/92/1099090292.db2.gz KFVIKPLCDFQHED-UHFFFAOYSA-N 2 2 344.846 2.026 10 30 EEEELP C=CCC[NH2+]Cc1ccc(CNC(=O)[C@@H]2CCc3[nH+]ccn3C2)cc1 ZINC001495489819 1101198894 /nfs/dbraw/zinc/19/88/94/1101198894.db2.gz NOVZGIRWSZHTEV-GOSISDBHSA-N 2 2 338.455 2.428 10 30 EEEELP CN(CC[N@H+](C)Cc1ccccc1C#N)C(=O)CC[C@@H]1CCC[NH+]1C ZINC001496717800 1101330615 /nfs/dbraw/zinc/33/06/15/1101330615.db2.gz CUXPBAWCWVDSRT-IBGZPJMESA-N 2 2 342.487 2.323 10 30 EEEELP CN(CC[N@@H+](C)Cc1ccccc1C#N)C(=O)CC[C@@H]1CCC[NH+]1C ZINC001496717800 1101330628 /nfs/dbraw/zinc/33/06/28/1101330628.db2.gz CUXPBAWCWVDSRT-IBGZPJMESA-N 2 2 342.487 2.323 10 30 EEEELP CN(CC[NH+](C)Cc1ccccc1C#N)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001496717800 1101330642 /nfs/dbraw/zinc/33/06/42/1101330642.db2.gz CUXPBAWCWVDSRT-IBGZPJMESA-N 2 2 342.487 2.323 10 30 EEEELP CN(CC[NH+](C)Cc1ccccc1C#N)C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001496717800 1101330655 /nfs/dbraw/zinc/33/06/55/1101330655.db2.gz CUXPBAWCWVDSRT-IBGZPJMESA-N 2 2 342.487 2.323 10 30 EEEELP CC#CC[NH2+][C@H](CNC(=O)Cn1cc[nH+]c1C(C)C)c1ccccc1 ZINC001493899197 1103076725 /nfs/dbraw/zinc/07/67/25/1103076725.db2.gz OCWNJKIRCUGLED-GOSISDBHSA-N 2 2 338.455 2.477 10 30 EEEELP C[C@H](CC(=O)N[C@@H](C)C[NH2+]CC#Cc1ccc(F)cc1)n1cc[nH+]c1 ZINC001498127816 1106958489 /nfs/dbraw/zinc/95/84/89/1106958489.db2.gz OOGSKEXLQOPURY-JKSUJKDBSA-N 2 2 342.418 2.119 10 30 EEEELP C[N@@H+]1CCC[C@H]1CCC(=O)NC[C@@H]1CC[NH+]1CC#Cc1ccccc1 ZINC001498998707 1108435308 /nfs/dbraw/zinc/43/53/08/1108435308.db2.gz QNAMTVCHPXCXMN-PMACEKPBSA-N 2 2 339.483 2.103 10 30 EEEELP C[N@H+]1CCC[C@H]1CCC(=O)NC[C@@H]1CC[NH+]1CC#Cc1ccccc1 ZINC001498998707 1108435310 /nfs/dbraw/zinc/43/53/10/1108435310.db2.gz QNAMTVCHPXCXMN-PMACEKPBSA-N 2 2 339.483 2.103 10 30 EEEELP C[NH+]1CCC[C@H]1CCC(=O)NC[C@@H]1CC[N@@H+]1CC#Cc1ccccc1 ZINC001498998707 1108435313 /nfs/dbraw/zinc/43/53/13/1108435313.db2.gz QNAMTVCHPXCXMN-PMACEKPBSA-N 2 2 339.483 2.103 10 30 EEEELP C[NH+]1CCC[C@H]1CCC(=O)NC[C@@H]1CC[N@H+]1CC#Cc1ccccc1 ZINC001498998707 1108435315 /nfs/dbraw/zinc/43/53/15/1108435315.db2.gz QNAMTVCHPXCXMN-PMACEKPBSA-N 2 2 339.483 2.103 10 30 EEEELP C=C(C)CC[NH2+]C[C@H](C)N(C)C(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC001568295361 1124409875 /nfs/dbraw/zinc/40/98/75/1124409875.db2.gz SUSQDVRBLVFZLZ-FUHWJXTLSA-N 2 2 337.508 2.033 10 30 EEEELP C=C(C)CC[NH2+]C[C@H](C)N(C)C(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC001568295361 1124409880 /nfs/dbraw/zinc/40/98/80/1124409880.db2.gz SUSQDVRBLVFZLZ-FUHWJXTLSA-N 2 2 337.508 2.033 10 30 EEEELP C[C@@H]1C[C@H]([NH+](C)CC(=O)N(CCC#N)c2ccccc2)CC[N@@H+]1C ZINC000123025384 463309987 /nfs/dbraw/zinc/30/99/87/463309987.db2.gz CMBZJVSTHVKCBN-SJLPKXTDSA-N 2 2 328.460 2.348 10 30 EEEELP C[C@@H]1C[C@H]([NH+](C)CC(=O)N(CCC#N)c2ccccc2)CC[N@H+]1C ZINC000123025384 463309991 /nfs/dbraw/zinc/30/99/91/463309991.db2.gz CMBZJVSTHVKCBN-SJLPKXTDSA-N 2 2 328.460 2.348 10 30 EEEELP C[C@@H]1C[C@H]([N@H+](C)CC(=O)N(CCC#N)c2ccccc2)CC[NH+]1C ZINC000123025384 463309996 /nfs/dbraw/zinc/30/99/96/463309996.db2.gz CMBZJVSTHVKCBN-SJLPKXTDSA-N 2 2 328.460 2.348 10 30 EEEELP C[C@@H]1C[C@H]([N@@H+](C)CC(=O)N(CCC#N)c2ccccc2)CC[NH+]1C ZINC000123025384 463309999 /nfs/dbraw/zinc/30/99/99/463309999.db2.gz CMBZJVSTHVKCBN-SJLPKXTDSA-N 2 2 328.460 2.348 10 30 EEEELP N#Cc1ccc(NC(=O)C[NH+]2CCC(C[NH+]3CCCC3)CC2)cc1 ZINC000171139454 463796636 /nfs/dbraw/zinc/79/66/36/463796636.db2.gz WTBVYBPPHOOQDY-UHFFFAOYSA-N 2 2 326.444 2.305 10 30 EEEELP Cc1cccc(NC[C@@H]2CC[N@@H+](CC(=O)N[C@@](C)(C#N)C(C)C)C2)[nH+]1 ZINC000195516148 464064060 /nfs/dbraw/zinc/06/40/60/464064060.db2.gz GNYWRMFLXBIFCR-LPHOPBHVSA-N 2 2 343.475 2.178 10 30 EEEELP Cc1cccc(NC[C@@H]2CC[N@H+](CC(=O)N[C@@](C)(C#N)C(C)C)C2)[nH+]1 ZINC000195516148 464064067 /nfs/dbraw/zinc/06/40/67/464064067.db2.gz GNYWRMFLXBIFCR-LPHOPBHVSA-N 2 2 343.475 2.178 10 30 EEEELP CN1CC[N@H+](C)C[C@H]1C[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000271051962 464277984 /nfs/dbraw/zinc/27/79/84/464277984.db2.gz ATHTZJATNJBHHA-IOJLRTSASA-N 2 2 326.488 2.226 10 30 EEEELP CN1CC[N@@H+](C)C[C@H]1C[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000271051962 464277986 /nfs/dbraw/zinc/27/79/86/464277986.db2.gz ATHTZJATNJBHHA-IOJLRTSASA-N 2 2 326.488 2.226 10 30 EEEELP C#CC[N@@H+](C)CCC[NH2+]Cc1c2cc(F)ccc2n(C)c1C(=O)OC ZINC000894863612 683229477 /nfs/dbraw/zinc/22/94/77/683229477.db2.gz NFZHSQVWSKNPPU-UHFFFAOYSA-N 2 2 345.418 2.149 10 30 EEEELP C#CC[N@H+](C)CCC[NH2+]Cc1c2cc(F)ccc2n(C)c1C(=O)OC ZINC000894863612 683229483 /nfs/dbraw/zinc/22/94/83/683229483.db2.gz NFZHSQVWSKNPPU-UHFFFAOYSA-N 2 2 345.418 2.149 10 30 EEEELP C#CCC[NH2+][C@H](C)[C@H]1CCCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001772513763 1176482002 /nfs/dbraw/zinc/48/20/02/1176482002.db2.gz SPENAMLWSPXLHH-AEFFLSMTSA-N 2 2 338.455 2.496 10 30 EEEELP C=C(C)C[N@H+]1CC[C@@H](N(CCC)C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001267545125 1179324619 /nfs/dbraw/zinc/32/46/19/1179324619.db2.gz ZCXUHGDGIFMJCF-IAGOWNOFSA-N 2 2 330.476 2.335 10 30 EEEELP C=C(C)C[N@@H+]1CC[C@@H](N(CCC)C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001267545125 1179324625 /nfs/dbraw/zinc/32/46/25/1179324625.db2.gz ZCXUHGDGIFMJCF-IAGOWNOFSA-N 2 2 330.476 2.335 10 30 EEEELP CC[C@H](CNC(=O)Cc1c[nH]c[nH+]1)[NH2+]CC#Cc1cccc(Cl)c1 ZINC001481858768 1182810056 /nfs/dbraw/zinc/81/00/56/1182810056.db2.gz QOUPLFGYSJFYCS-MRXNPFEDSA-N 2 2 344.846 2.142 10 30 EEEELP CC(C)C[C@H](C[NH2+]Cc1ccccc1C#N)NC(=O)Cn1cc[nH+]c1 ZINC001482401094 1185614921 /nfs/dbraw/zinc/61/49/21/1185614921.db2.gz SMHOQWLNKWQAFW-GOSISDBHSA-N 2 2 339.443 2.075 10 30 EEEELP CC#CC[NH2+]CC[C@H]1CCCCN1C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001271535108 1186295733 /nfs/dbraw/zinc/29/57/33/1186295733.db2.gz TXBAPAQEYFMJOX-GOSISDBHSA-N 2 2 342.487 2.146 10 30 EEEELP C#CCC[N@@H+](C)CCC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001482506957 1186418396 /nfs/dbraw/zinc/41/83/96/1186418396.db2.gz OIXJRXFEUFFWKP-QZTJIDSGSA-N 2 2 342.487 2.107 10 30 EEEELP C#CCC[N@H+](C)CCC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001482506957 1186418401 /nfs/dbraw/zinc/41/84/01/1186418401.db2.gz OIXJRXFEUFFWKP-QZTJIDSGSA-N 2 2 342.487 2.107 10 30 EEEELP C=C(Cl)C[NH2+]C[C@@]1(C)CCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001484099973 1191210609 /nfs/dbraw/zinc/21/06/09/1191210609.db2.gz KURSDZQGYQLSBN-WMLDXEAASA-N 2 2 336.867 2.026 10 30 EEEELP C=C(Cl)C[C@@H]([NH3+])C(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000876754041 1199757808 /nfs/dbraw/zinc/75/78/08/1199757808.db2.gz AQSADCHIZWHQOY-XJKSGUPXSA-N 2 2 337.851 2.488 10 30 EEEELP COC(=O)[C@H](c1ccc(C#N)cc1)[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000866665599 1201574406 /nfs/dbraw/zinc/57/44/06/1201574406.db2.gz HCNFPOWWKMVUTL-ROUUACIJSA-N 2 2 327.428 2.094 10 30 EEEELP C=CCC[NH2+][C@H](CCN(C)C(=O)[C@H]1CCn2cc[nH+]c2C1)C(C)C ZINC001276128299 1205789623 /nfs/dbraw/zinc/78/96/23/1205789623.db2.gz CMVDLEQSSRAQNC-DLBZAZTESA-N 2 2 332.492 2.484 10 30 EEEELP C=CCCC[N@@H+](CC)[C@@H](C)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000934644152 1207996813 /nfs/dbraw/zinc/99/68/13/1207996813.db2.gz AKSFKGHOKGYBGP-KRWDZBQOSA-N 2 2 330.476 2.407 10 30 EEEELP C=CCCC[N@H+](CC)[C@@H](C)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000934644152 1207996815 /nfs/dbraw/zinc/99/68/15/1207996815.db2.gz AKSFKGHOKGYBGP-KRWDZBQOSA-N 2 2 330.476 2.407 10 30 EEEELP N#CC1(C[C@H](O)C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)CCOCC1 ZINC000863551917 1296332202 /nfs/dbraw/zinc/33/22/02/1296332202.db2.gz SWINUEJSQGEWRD-SFHVURJKSA-N 2 2 340.427 2.033 10 30 EEEELP C=C(C)C[NH2+]C[C@@H](C1CC1)N(C)C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001277646768 1304075401 /nfs/dbraw/zinc/07/54/01/1304075401.db2.gz KTFZTWMZJBCSBN-KRWDZBQOSA-N 2 2 330.476 2.165 10 30 EEEELP C#CCN(C(=O)C[N@H+]1CC[C@H](C)C1)C1CC[NH+](CC(=C)Cl)CC1 ZINC001278184544 1306210901 /nfs/dbraw/zinc/21/09/01/1306210901.db2.gz OCHBIJDXNRMIAT-HNNXBMFYSA-N 2 2 337.895 2.007 10 30 EEEELP C#CCN(C(=O)C[N@@H+]1CC[C@H](C)C1)C1CC[NH+](CC(=C)Cl)CC1 ZINC001278184544 1306210907 /nfs/dbraw/zinc/21/09/07/1306210907.db2.gz OCHBIJDXNRMIAT-HNNXBMFYSA-N 2 2 337.895 2.007 10 30 EEEELP C=CCCC[NH+]1CCC2(C[C@@H]2NC(=O)CCc2[nH+]ccn2C)CC1 ZINC001265329623 1323078309 /nfs/dbraw/zinc/07/83/09/1323078309.db2.gz JVBVGBNMOQAIGP-INIZCTEOSA-N 2 2 330.476 2.290 10 30 EEEELP C=C(C)CC[NH2+][C@H](C)CN(C)C(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC001283665009 1326190658 /nfs/dbraw/zinc/19/06/58/1326190658.db2.gz HUQWNEOHRAHYFU-AEFFLSMTSA-N 2 2 337.508 2.033 10 30 EEEELP C=C(C)CC[NH2+][C@H](C)CN(C)C(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC001283665009 1326190660 /nfs/dbraw/zinc/19/06/60/1326190660.db2.gz HUQWNEOHRAHYFU-AEFFLSMTSA-N 2 2 337.508 2.033 10 30 EEEELP C=C(C)C[NH2+]C[C@@H](NC(=O)Cc1cn2c([nH+]1)CCCC2)C(C)(C)C ZINC001284590397 1326621802 /nfs/dbraw/zinc/62/18/02/1326621802.db2.gz OPCWQHSAVIYZBK-MRXNPFEDSA-N 2 2 332.492 2.459 10 30 EEEELP C=CCCC[NH2+][C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CC[C@H]1C(F)(F)F ZINC001284738384 1326690061 /nfs/dbraw/zinc/69/00/61/1326690061.db2.gz YHPSSJPMFXFUGG-KGLIPLIRSA-N 2 2 344.381 2.287 10 30 EEEELP C#CC[NH2+]CC[C@@H]1CCCN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001318806341 1332602024 /nfs/dbraw/zinc/60/20/24/1332602024.db2.gz UWNLDAPZZXQIDQ-ZWKOTPCHSA-N 2 2 330.476 2.322 10 30 EEEELP C=CCCC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CCn4c[nH+]cc4C3)C2)C1 ZINC001323859366 1333560376 /nfs/dbraw/zinc/56/03/76/1333560376.db2.gz WBFFWGFGUUSSIF-FXAWDEMLSA-N 2 2 342.487 2.336 10 30 EEEELP C=CCCC[N@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CCn4c[nH+]cc4C3)C2)C1 ZINC001323859366 1333560378 /nfs/dbraw/zinc/56/03/78/1333560378.db2.gz WBFFWGFGUUSSIF-FXAWDEMLSA-N 2 2 342.487 2.336 10 30 EEEELP C=CCOCC[NH2+][C@@H]1CN(C(=O)c2c(C)cc(C)[nH+]c2C)C[C@@H]1C ZINC001502731011 1342227120 /nfs/dbraw/zinc/22/71/20/1342227120.db2.gz HLFBSRQJDJAGTA-WMLDXEAASA-N 2 2 331.460 2.260 10 30 EEEELP C=CCC[NH2+]C[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@@H]1C(F)(F)F ZINC001677048042 1357269359 /nfs/dbraw/zinc/26/93/59/1357269359.db2.gz LQHKGBUJYOLEBX-OCCSQVGLSA-N 2 2 344.381 2.145 10 30 EEEELP C=CCC[NH2+]C[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@@H]1C(F)(F)F ZINC001677048042 1357269365 /nfs/dbraw/zinc/26/93/65/1357269365.db2.gz LQHKGBUJYOLEBX-OCCSQVGLSA-N 2 2 344.381 2.145 10 30 EEEELP C=CCC[C@@H](C)[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001656206859 1354214465 /nfs/dbraw/zinc/21/44/65/1354214465.db2.gz IFVOTEBRNYMNPN-WCXIOVBPSA-N 2 2 330.476 2.285 10 30 EEEELP C=CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)CCc2c[nH+]cn2C)C1 ZINC001656257681 1354219590 /nfs/dbraw/zinc/21/95/90/1354219590.db2.gz XRPDGZCLBWZGHY-RBUKOAKNSA-N 2 2 338.455 2.123 10 30 EEEELP C=CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)CCc2c[nH+]cn2C)C1 ZINC001656257681 1354219593 /nfs/dbraw/zinc/21/95/93/1354219593.db2.gz XRPDGZCLBWZGHY-RBUKOAKNSA-N 2 2 338.455 2.123 10 30 EEEELP C=CCCCCC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001661618242 1354665346 /nfs/dbraw/zinc/66/53/46/1354665346.db2.gz OTRMGFZRJVDDTA-ZACQAIPSSA-N 2 2 330.476 2.429 10 30 EEEELP C=CCCC[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001671753500 1356408257 /nfs/dbraw/zinc/40/82/57/1356408257.db2.gz QLSGFHBJLHGPIF-VQIMIIECSA-N 2 2 330.476 2.240 10 30 EEEELP C=C(Cl)C[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C(C)(C)C1 ZINC000940842357 779397660 /nfs/dbraw/zinc/39/76/60/779397660.db2.gz DTWBPRAVZLWULC-GJZGRUSLSA-N 2 2 327.900 2.440 10 30 EEEELP C=C(Cl)C[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C(C)(C)C1 ZINC000940842357 779397668 /nfs/dbraw/zinc/39/76/68/779397668.db2.gz DTWBPRAVZLWULC-GJZGRUSLSA-N 2 2 327.900 2.440 10 30 EEEELP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)C(C)(C)C1 ZINC000940842357 779397678 /nfs/dbraw/zinc/39/76/78/779397678.db2.gz DTWBPRAVZLWULC-GJZGRUSLSA-N 2 2 327.900 2.440 10 30 EEEELP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)C(C)(C)C1 ZINC000940842357 779397685 /nfs/dbraw/zinc/39/76/85/779397685.db2.gz DTWBPRAVZLWULC-GJZGRUSLSA-N 2 2 327.900 2.440 10 30 EEEELP C=CC[N@H+]1CCC[C@@H]2[C@@H](NC(=O)CCCn3cc[nH+]c3)C(C)(C)[C@H]21 ZINC001565994433 1125490905 /nfs/dbraw/zinc/49/09/05/1125490905.db2.gz GKMLRSJEBPVEES-NXHRZFHOSA-N 2 2 330.476 2.455 10 30 EEEELP C=CC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)CCCn3cc[nH+]c3)C(C)(C)[C@H]21 ZINC001565994433 1125490907 /nfs/dbraw/zinc/49/09/07/1125490907.db2.gz GKMLRSJEBPVEES-NXHRZFHOSA-N 2 2 330.476 2.455 10 30 EEEELP C=CCC[NH2+]CC[C@H]1CCCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001495360269 1101074260 /nfs/dbraw/zinc/07/42/60/1101074260.db2.gz RUBGHHYHRRQCAG-SJORKVTESA-N 2 2 330.476 2.240 10 30 EEEELP C=CCC[NH2+]CC[C@H]1CCCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001495360265 1101074670 /nfs/dbraw/zinc/07/46/70/1101074670.db2.gz RUBGHHYHRRQCAG-IAGOWNOFSA-N 2 2 330.476 2.240 10 30 EEEELP C=CCCC[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCn3c[nH+]cc3C1)CC2 ZINC001495979058 1101885282 /nfs/dbraw/zinc/88/52/82/1101885282.db2.gz NPFOQBBMLYCMMV-KRWDZBQOSA-N 2 2 342.487 2.336 10 30 EEEELP C[N@@H+]1CCC[C@@H]1CCC(=O)NC[C@@H]1CC[NH+]1CC#Cc1ccccc1 ZINC001498998709 1108435266 /nfs/dbraw/zinc/43/52/66/1108435266.db2.gz QNAMTVCHPXCXMN-UXHICEINSA-N 2 2 339.483 2.103 10 30 EEEELP C[N@H+]1CCC[C@@H]1CCC(=O)NC[C@@H]1CC[NH+]1CC#Cc1ccccc1 ZINC001498998709 1108435270 /nfs/dbraw/zinc/43/52/70/1108435270.db2.gz QNAMTVCHPXCXMN-UXHICEINSA-N 2 2 339.483 2.103 10 30 EEEELP C[NH+]1CCC[C@@H]1CCC(=O)NC[C@@H]1CC[N@@H+]1CC#Cc1ccccc1 ZINC001498998709 1108435274 /nfs/dbraw/zinc/43/52/74/1108435274.db2.gz QNAMTVCHPXCXMN-UXHICEINSA-N 2 2 339.483 2.103 10 30 EEEELP C[NH+]1CCC[C@@H]1CCC(=O)NC[C@@H]1CC[N@H+]1CC#Cc1ccccc1 ZINC001498998709 1108435278 /nfs/dbraw/zinc/43/52/78/1108435278.db2.gz QNAMTVCHPXCXMN-UXHICEINSA-N 2 2 339.483 2.103 10 30 EEEELP N#CC[NH+](CC1CC1)C1CCN(C(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001499527220 1112342327 /nfs/dbraw/zinc/34/23/27/1112342327.db2.gz GTBXLWROPVPPSA-RTBURBONSA-N 2 2 344.503 2.230 10 30 EEEELP N#CC[NH+](CC1CC1)C1CCN(C(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001499527220 1112342333 /nfs/dbraw/zinc/34/23/33/1112342333.db2.gz GTBXLWROPVPPSA-RTBURBONSA-N 2 2 344.503 2.230 10 30 EEEELP N#CC[N@H+](CC1CC1)C1CCN(C(=O)[C@H]2CC[C@H]3CCCC[NH+]32)CC1 ZINC001499527220 1112342338 /nfs/dbraw/zinc/34/23/38/1112342338.db2.gz GTBXLWROPVPPSA-RTBURBONSA-N 2 2 344.503 2.230 10 30 EEEELP N#CC[N@@H+](CC1CC1)C1CCN(C(=O)[C@H]2CC[C@H]3CCCC[NH+]32)CC1 ZINC001499527220 1112342342 /nfs/dbraw/zinc/34/23/42/1112342342.db2.gz GTBXLWROPVPPSA-RTBURBONSA-N 2 2 344.503 2.230 10 30 EEEELP C=CCCC[N@@H+]1CCO[C@@]2(CCN(C(=O)C[C@@H](C)n3cc[nH+]c3)C2)C1 ZINC001506726917 1114836867 /nfs/dbraw/zinc/83/68/67/1114836867.db2.gz FLLUGBZRERVTIN-MJGOQNOKSA-N 2 2 346.475 2.104 10 30 EEEELP C=CCCC[N@H+]1CCO[C@@]2(CCN(C(=O)C[C@@H](C)n3cc[nH+]c3)C2)C1 ZINC001506726917 1114836870 /nfs/dbraw/zinc/83/68/70/1114836870.db2.gz FLLUGBZRERVTIN-MJGOQNOKSA-N 2 2 346.475 2.104 10 30 EEEELP C=C(C)C[NH2+]CCC[C@@H](C)NC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1 ZINC001506924587 1114977617 /nfs/dbraw/zinc/97/76/17/1114977617.db2.gz WLLDGECOZRJUCU-RHSMWYFYSA-N 2 2 333.480 2.241 10 30 EEEELP C=C(C)C[NH2+]CCC[C@@H](C)NC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1 ZINC001506924587 1114977622 /nfs/dbraw/zinc/97/76/22/1114977622.db2.gz WLLDGECOZRJUCU-RHSMWYFYSA-N 2 2 333.480 2.241 10 30 EEEELP C=CCCC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)CCn3cc[nH+]c3)C[C@@H]21 ZINC001507364353 1115225031 /nfs/dbraw/zinc/22/50/31/1115225031.db2.gz XUMGMDUOGJUBCH-FGTMMUONSA-N 2 2 330.476 2.456 10 30 EEEELP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N(C)[C@@H](C)C[NH2+]CC#Cc1ccccc1 ZINC001568305081 1124412805 /nfs/dbraw/zinc/41/28/05/1124412805.db2.gz XSOWKZYATIIANZ-SJORKVTESA-N 2 2 338.455 2.077 10 30 EEEELP C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000292040775 533185699 /nfs/dbraw/zinc/18/56/99/533185699.db2.gz ALROQBVDEJKMTF-PXNSSMCTSA-N 2 2 340.471 2.349 10 30 EEEELP C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000292040775 533185703 /nfs/dbraw/zinc/18/57/03/533185703.db2.gz ALROQBVDEJKMTF-PXNSSMCTSA-N 2 2 340.471 2.349 10 30 EEEELP C[C@@H](C(=O)N(CCC#N)c1ccccc1)[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000292040775 533185710 /nfs/dbraw/zinc/18/57/10/533185710.db2.gz ALROQBVDEJKMTF-PXNSSMCTSA-N 2 2 340.471 2.349 10 30 EEEELP C[C@@H](C(=O)N(CCC#N)c1ccccc1)[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000292040775 533185715 /nfs/dbraw/zinc/18/57/15/533185715.db2.gz ALROQBVDEJKMTF-PXNSSMCTSA-N 2 2 340.471 2.349 10 30 EEEELP CC(C)(C)c1cn2c([nH+]1)CC[C@H]([NH+]=C([O-])N1CC[NH+](C3CC3)CC1)C2 ZINC000329298530 465292066 /nfs/dbraw/zinc/29/20/66/465292066.db2.gz ULACCYGJPRUOFQ-AWEZNQCLSA-N 2 2 345.491 2.189 10 30 EEEELP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+](Cc2ccc(C#N)cc2F)CC1 ZINC000109753637 463648513 /nfs/dbraw/zinc/64/85/13/463648513.db2.gz OSPYLONTCBNOFG-GOSISDBHSA-N 2 2 330.451 2.299 10 30 EEEELP C[N@H+]1CCCC[C@@H]1CN1CC[NH+](Cc2ccc(C#N)cc2F)CC1 ZINC000109753637 463648516 /nfs/dbraw/zinc/64/85/16/463648516.db2.gz OSPYLONTCBNOFG-GOSISDBHSA-N 2 2 330.451 2.299 10 30 EEEELP C=CCN1CC[C@@H]([N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)C1=O ZINC000282028001 464673928 /nfs/dbraw/zinc/67/39/28/464673928.db2.gz KQWFRSROQWLKFH-NVXWUHKLSA-N 2 2 328.460 2.186 10 30 EEEELP C=CCN1CC[C@@H]([N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)C1=O ZINC000282028001 464673935 /nfs/dbraw/zinc/67/39/35/464673935.db2.gz KQWFRSROQWLKFH-NVXWUHKLSA-N 2 2 328.460 2.186 10 30 EEEELP N#CC1(c2ccc(C[N@@H+]3CC[C@@H](C[NH+]4CCOCC4)C3)cc2)CC1 ZINC000597013611 468417851 /nfs/dbraw/zinc/41/78/51/468417851.db2.gz IVPGQTKPZRCUQI-SFHVURJKSA-N 2 2 325.456 2.396 10 30 EEEELP N#CC1(c2ccc(C[N@H+]3CC[C@@H](C[NH+]4CCOCC4)C3)cc2)CC1 ZINC000597013611 468417857 /nfs/dbraw/zinc/41/78/57/468417857.db2.gz IVPGQTKPZRCUQI-SFHVURJKSA-N 2 2 325.456 2.396 10 30 EEEELP CC[NH+]1CCC([N@@H+]2CCCN(Cc3nc(C#N)cs3)CC2)CC1 ZINC000420980294 467525691 /nfs/dbraw/zinc/52/56/91/467525691.db2.gz LHBHHNLSGXIFSF-UHFFFAOYSA-N 2 2 333.505 2.007 10 30 EEEELP CC[NH+]1CCC([N@H+]2CCCN(Cc3nc(C#N)cs3)CC2)CC1 ZINC000420980294 467525697 /nfs/dbraw/zinc/52/56/97/467525697.db2.gz LHBHHNLSGXIFSF-UHFFFAOYSA-N 2 2 333.505 2.007 10 30 EEEELP C=CC(C)(C)CCNC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000623564391 469695760 /nfs/dbraw/zinc/69/57/60/469695760.db2.gz AXMLBJAHKQJKLK-UHFFFAOYSA-N 2 2 336.524 2.447 10 30 EEEELP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000761054565 577675025 /nfs/dbraw/zinc/67/50/25/577675025.db2.gz HFWUWLCXUYGXJV-BZSNNMDCSA-N 2 2 345.874 2.299 10 30 EEEELP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000761054565 577675026 /nfs/dbraw/zinc/67/50/26/577675026.db2.gz HFWUWLCXUYGXJV-BZSNNMDCSA-N 2 2 345.874 2.299 10 30 EEEELP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](C)[C@H]1c1ccc(Cl)cc1 ZINC000761054565 577675027 /nfs/dbraw/zinc/67/50/27/577675027.db2.gz HFWUWLCXUYGXJV-BZSNNMDCSA-N 2 2 345.874 2.299 10 30 EEEELP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](C)[C@H]1c1ccc(Cl)cc1 ZINC000761054565 577675028 /nfs/dbraw/zinc/67/50/28/577675028.db2.gz HFWUWLCXUYGXJV-BZSNNMDCSA-N 2 2 345.874 2.299 10 30 EEEELP C=C(Cl)C[NH2+]CCc1ccc(CNC(=O)Cc2[nH]cc[nH+]2)cc1 ZINC001267098250 1178235271 /nfs/dbraw/zinc/23/52/71/1178235271.db2.gz JSNPQCFETOUUJN-UHFFFAOYSA-N 2 2 332.835 2.153 10 30 EEEELP CC#CC[N@H+]1CC[C@H](N(CCC)C(=O)CCCn2cc[nH+]c2C)C1 ZINC001267488675 1179157642 /nfs/dbraw/zinc/15/76/42/1179157642.db2.gz NZMSIGNASZZNFR-SFHVURJKSA-N 2 2 330.476 2.308 10 30 EEEELP CC#CC[N@@H+]1CC[C@H](N(CCC)C(=O)CCCn2cc[nH+]c2C)C1 ZINC001267488675 1179157649 /nfs/dbraw/zinc/15/76/49/1179157649.db2.gz NZMSIGNASZZNFR-SFHVURJKSA-N 2 2 330.476 2.308 10 30 EEEELP CC(C)[C@H](C(=O)N1CCC([N@H+](CC#N)CC2CC2)CC1)[NH+]1CCCC1 ZINC001670989402 1193539494 /nfs/dbraw/zinc/53/94/94/1193539494.db2.gz SQDFMHURHHEESH-LJQANCHMSA-N 2 2 346.519 2.333 10 30 EEEELP CC(C)[C@H](C(=O)N1CCC([N@@H+](CC#N)CC2CC2)CC1)[NH+]1CCCC1 ZINC001670989402 1193539496 /nfs/dbraw/zinc/53/94/96/1193539496.db2.gz SQDFMHURHHEESH-LJQANCHMSA-N 2 2 346.519 2.333 10 30 EEEELP C=CCC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001272259794 1189364015 /nfs/dbraw/zinc/36/40/15/1189364015.db2.gz CRFXWTJQUWQWKU-WBVHZDCISA-N 2 2 330.476 2.213 10 30 EEEELP C[C@H](CNC(=O)C[C@H](C)n1cc[nH+]c1)[N@H+](C)Cc1ccc(C#N)cc1 ZINC001409627583 1190124955 /nfs/dbraw/zinc/12/49/55/1190124955.db2.gz OTFRBJQZUBKNPB-JKSUJKDBSA-N 2 2 339.443 2.343 10 30 EEEELP C[C@H](CNC(=O)C[C@H](C)n1cc[nH+]c1)[N@@H+](C)Cc1ccc(C#N)cc1 ZINC001409627583 1190124959 /nfs/dbraw/zinc/12/49/59/1190124959.db2.gz OTFRBJQZUBKNPB-JKSUJKDBSA-N 2 2 339.443 2.343 10 30 EEEELP C#CCC[NH2+][C@@H](C)C1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)CC1 ZINC001691663011 1194273729 /nfs/dbraw/zinc/27/37/29/1194273729.db2.gz MCGRLUUXYPTKSZ-INIZCTEOSA-N 2 2 338.455 2.496 10 30 EEEELP N#CC1(C[C@H](O)C[NH2+]C[C@@H]2CC[N@@H+]2C2CCCCCC2)CCOCC1 ZINC000872235980 1198104110 /nfs/dbraw/zinc/10/41/10/1198104110.db2.gz MKBSIJXCWCLPOU-OALUTQOASA-N 2 2 349.519 2.444 10 30 EEEELP N#CC1(C[C@H](O)C[NH2+]C[C@@H]2CC[N@H+]2C2CCCCCC2)CCOCC1 ZINC000872235980 1198104114 /nfs/dbraw/zinc/10/41/14/1198104114.db2.gz MKBSIJXCWCLPOU-OALUTQOASA-N 2 2 349.519 2.444 10 30 EEEELP COC(=O)[C@@H](c1ccc(C#N)cc1)[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000866665693 1201574333 /nfs/dbraw/zinc/57/43/33/1201574333.db2.gz IDDNCSUNVDAKFJ-ZWKOTPCHSA-N 2 2 327.428 2.236 10 30 EEEELP C=CC[NH+]1CCC(NC(=O)NC[C@@H]2c3ccccc3C[N@H+]2C)CC1 ZINC000868283908 1201782794 /nfs/dbraw/zinc/78/27/94/1201782794.db2.gz KOTOHLPKGJPMRN-GOSISDBHSA-N 2 2 328.460 2.123 10 30 EEEELP C=CC[NH+]1CCC(NC(=O)NC[C@@H]2c3ccccc3C[N@@H+]2C)CC1 ZINC000868283908 1201782796 /nfs/dbraw/zinc/78/27/96/1201782796.db2.gz KOTOHLPKGJPMRN-GOSISDBHSA-N 2 2 328.460 2.123 10 30 EEEELP C#CCC1([NH2+]CCC[NH+]2CCN(c3ccccc3)CC2)CCOCC1 ZINC000887122093 1204208775 /nfs/dbraw/zinc/20/87/75/1204208775.db2.gz KTESPKPNOHASOY-UHFFFAOYSA-N 2 2 341.499 2.361 10 30 EEEELP C=CC[N@@H+](CCCNC(=O)c1cc([C@H]2CCC[NH+]2C)n[nH]1)C(C)C ZINC001691727638 1204233490 /nfs/dbraw/zinc/23/34/90/1204233490.db2.gz UOZZHLVAQMOXBW-QGZVFWFLSA-N 2 2 333.480 2.193 10 30 EEEELP C=CC[N@H+](CCCNC(=O)c1cc([C@H]2CCC[NH+]2C)n[nH]1)C(C)C ZINC001691727638 1204233492 /nfs/dbraw/zinc/23/34/92/1204233492.db2.gz UOZZHLVAQMOXBW-QGZVFWFLSA-N 2 2 333.480 2.193 10 30 EEEELP C=CC[NH+](CCCNC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1)C(C)C ZINC001691727638 1204233494 /nfs/dbraw/zinc/23/34/94/1204233494.db2.gz UOZZHLVAQMOXBW-QGZVFWFLSA-N 2 2 333.480 2.193 10 30 EEEELP C=CC[NH+](CCCNC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1)C(C)C ZINC001691727638 1204233496 /nfs/dbraw/zinc/23/34/96/1204233496.db2.gz UOZZHLVAQMOXBW-QGZVFWFLSA-N 2 2 333.480 2.193 10 30 EEEELP CC[C@@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)c1cccc(C#N)c1O ZINC000924631560 1206006970 /nfs/dbraw/zinc/00/69/70/1206006970.db2.gz HPCAIDCGPJNFBU-GOSISDBHSA-N 2 2 330.476 2.331 10 30 EEEELP C#CC[NH+]1CCC(NC(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)CC1 ZINC000928653147 1206408140 /nfs/dbraw/zinc/40/81/40/1206408140.db2.gz AUKGBOYLJJGPJM-GOSISDBHSA-N 2 2 336.439 2.146 10 30 EEEELP C#CC[NH+]1CCC(NC(=O)[C@@H](c2cccc(Cl)c2)[NH+](C)C)CC1 ZINC000928658037 1206408689 /nfs/dbraw/zinc/40/86/89/1206408689.db2.gz JXHXABDNHFWMFU-QGZVFWFLSA-N 2 2 333.863 2.157 10 30 EEEELP CC#CC[N@@H+]1CCCCC[C@H]1CNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001276310234 1215418284 /nfs/dbraw/zinc/41/82/84/1215418284.db2.gz FONYNYRMRSRVJN-KRWDZBQOSA-N 2 2 330.476 2.311 10 30 EEEELP CC#CC[N@H+]1CCCCC[C@H]1CNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001276310234 1215418285 /nfs/dbraw/zinc/41/82/85/1215418285.db2.gz FONYNYRMRSRVJN-KRWDZBQOSA-N 2 2 330.476 2.311 10 30 EEEELP C=C(C)C[NH2+]C1(CC)CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC001273769974 1285284617 /nfs/dbraw/zinc/28/46/17/1285284617.db2.gz MTOZEHJRPHJTGW-MRXNPFEDSA-N 2 2 330.476 2.382 10 30 EEEELP CC#CC[NH2+]CCCCCCN(C)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001489097678 1290370667 /nfs/dbraw/zinc/37/06/67/1290370667.db2.gz GNCBLRQNWJFNMQ-KRWDZBQOSA-N 2 2 330.476 2.077 10 30 EEEELP COCC#CC[NH2+]CC[C@H]1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001280129346 1324092573 /nfs/dbraw/zinc/09/25/73/1324092573.db2.gz VWURPLKEKVYKHU-SFHVURJKSA-N 2 2 343.471 2.098 10 30 EEEELP C#CC[NH+]1Cc2ccc(CNC(=O)CC[C@H]3CCC[N@H+]3C)cc2C1 ZINC001281293341 1324940795 /nfs/dbraw/zinc/94/07/95/1324940795.db2.gz PRBBYPBSUBOUAO-LJQANCHMSA-N 2 2 325.456 2.126 10 30 EEEELP C#CC[NH+]1Cc2ccc(CNC(=O)CC[C@H]3CCC[N@@H+]3C)cc2C1 ZINC001281293341 1324940800 /nfs/dbraw/zinc/94/08/00/1324940800.db2.gz PRBBYPBSUBOUAO-LJQANCHMSA-N 2 2 325.456 2.126 10 30 EEEELP C#CC[N@H+]1Cc2ccc(CNC(=O)CC[C@H]3CCC[NH+]3C)cc2C1 ZINC001281293341 1324940804 /nfs/dbraw/zinc/94/08/04/1324940804.db2.gz PRBBYPBSUBOUAO-LJQANCHMSA-N 2 2 325.456 2.126 10 30 EEEELP C#CC[N@@H+]1Cc2ccc(CNC(=O)CC[C@H]3CCC[NH+]3C)cc2C1 ZINC001281293341 1324940808 /nfs/dbraw/zinc/94/08/08/1324940808.db2.gz PRBBYPBSUBOUAO-LJQANCHMSA-N 2 2 325.456 2.126 10 30 EEEELP CC#CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)C(C)(C)n3c[nH+]c(C)c3)C[C@H]21 ZINC001284086981 1326400213 /nfs/dbraw/zinc/40/02/13/1326400213.db2.gz MSUXCNLQKNKKFU-KZNAEPCWSA-N 2 2 342.487 2.167 10 30 EEEELP C#CC[NH2+][C@H]1CCCCCN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001316770361 1331883342 /nfs/dbraw/zinc/88/33/42/1331883342.db2.gz JOTOHHHYYBADPW-ROUUACIJSA-N 2 2 330.476 2.464 10 30 EEEELP C=CCC[NH2+][C@H]1CCCCCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001316773996 1331886079 /nfs/dbraw/zinc/88/60/79/1331886079.db2.gz SAXIUKXKUFVTTQ-IRXDYDNUSA-N 2 2 330.476 2.382 10 30 EEEELP C#CC[N@@H+](C)C[C@@H]1CCCCN1C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001316805065 1331901873 /nfs/dbraw/zinc/90/18/73/1331901873.db2.gz MCDJUNWFUFSJTB-IBGZPJMESA-N 2 2 336.439 2.432 10 30 EEEELP C#CC[N@H+](C)C[C@@H]1CCCCN1C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001316805065 1331901876 /nfs/dbraw/zinc/90/18/76/1331901876.db2.gz MCDJUNWFUFSJTB-IBGZPJMESA-N 2 2 336.439 2.432 10 30 EEEELP C=C(C)CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001317841540 1332428238 /nfs/dbraw/zinc/42/82/38/1332428238.db2.gz DSZKYURKVFRGEJ-SJORKVTESA-N 2 2 330.476 2.192 10 30 EEEELP C=C(C)CC[N@H+](C)C[C@H]1CCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001317841540 1332428243 /nfs/dbraw/zinc/42/82/43/1332428243.db2.gz DSZKYURKVFRGEJ-SJORKVTESA-N 2 2 330.476 2.192 10 30 EEEELP C[C@@H](CNC(=O)Cn1cc[nH+]c1)[N@H+](C)CC#Cc1ccccc1Cl ZINC001329628762 1334687852 /nfs/dbraw/zinc/68/78/52/1334687852.db2.gz UEBLKXHHVAXHTG-HNNXBMFYSA-N 2 2 344.846 2.025 10 30 EEEELP C[C@@H](CNC(=O)Cn1cc[nH+]c1)[N@@H+](C)CC#Cc1ccccc1Cl ZINC001329628762 1334687856 /nfs/dbraw/zinc/68/78/56/1334687856.db2.gz UEBLKXHHVAXHTG-HNNXBMFYSA-N 2 2 344.846 2.025 10 30 EEEELP C=C(C)C[NH2+][C@H](CCN(C)C(=O)[C@H]1CCc2[nH+]ccn2C1)C(C)C ZINC001329742011 1334706613 /nfs/dbraw/zinc/70/66/13/1334706613.db2.gz KZKAJFBZTBKACJ-DLBZAZTESA-N 2 2 332.492 2.484 10 30 EEEELP C=CCC[C@@H](C)[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCc1[nH+]ccn1C ZINC001661257749 1354618165 /nfs/dbraw/zinc/61/81/65/1354618165.db2.gz NMJSHCWPPLCTRF-ZACQAIPSSA-N 2 2 330.476 2.383 10 30 EEEELP C=CCC[C@@H](C)[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCc1[nH+]ccn1C ZINC001661257749 1354618167 /nfs/dbraw/zinc/61/81/67/1354618167.db2.gz NMJSHCWPPLCTRF-ZACQAIPSSA-N 2 2 330.476 2.383 10 30 EEEELP C[N@@H+](CC#Cc1ccccc1)CCNC(=O)[C@H]1CC[C@@H]2CCCC[NH+]12 ZINC001663208943 1354935295 /nfs/dbraw/zinc/93/52/95/1354935295.db2.gz BXTHQPVJUUTLRC-VQTJNVASSA-N 2 2 339.483 2.103 10 30 EEEELP C[N@H+](CC#Cc1ccccc1)CCNC(=O)[C@H]1CC[C@@H]2CCCC[NH+]12 ZINC001663208943 1354935299 /nfs/dbraw/zinc/93/52/99/1354935299.db2.gz BXTHQPVJUUTLRC-VQTJNVASSA-N 2 2 339.483 2.103 10 30 EEEELP C[NH+](CC#Cc1ccccc1)CCNC(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001663208943 1354935302 /nfs/dbraw/zinc/93/53/02/1354935302.db2.gz BXTHQPVJUUTLRC-VQTJNVASSA-N 2 2 339.483 2.103 10 30 EEEELP C[NH+](CC#Cc1ccccc1)CCNC(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC001663208943 1354935306 /nfs/dbraw/zinc/93/53/06/1354935306.db2.gz BXTHQPVJUUTLRC-VQTJNVASSA-N 2 2 339.483 2.103 10 30 EEEELP C=C(C)CC[NH2+][C@H](CC)CNC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC001665835095 1355397528 /nfs/dbraw/zinc/39/75/28/1355397528.db2.gz VANYUFJKEHCIGL-AEFFLSMTSA-N 2 2 337.508 2.080 10 30 EEEELP C=C(C)CC[NH2+][C@H](CC)CNC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC001665835095 1355397531 /nfs/dbraw/zinc/39/75/31/1355397531.db2.gz VANYUFJKEHCIGL-AEFFLSMTSA-N 2 2 337.508 2.080 10 30 EEEELP C=CCC[NH2+]C1CCC(N(C)C(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC001674796067 1356897521 /nfs/dbraw/zinc/89/75/21/1356897521.db2.gz CCBRZJUUUWRCRI-KLAILNCOSA-N 2 2 330.476 2.381 10 30 EEEELP CC#CC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)CCCn3cc[nH+]c3)C(C)(C)[C@H]21 ZINC001565995049 1125492507 /nfs/dbraw/zinc/49/25/07/1125492507.db2.gz NRHTXAIANWFYCO-QRQLOZEOSA-N 2 2 342.487 2.292 10 30 EEEELP CC#CC[N@H+]1CCC[C@@H]2[C@@H](NC(=O)CCCn3cc[nH+]c3)C(C)(C)[C@H]21 ZINC001565995049 1125492510 /nfs/dbraw/zinc/49/25/10/1125492510.db2.gz NRHTXAIANWFYCO-QRQLOZEOSA-N 2 2 342.487 2.292 10 30 EEEELP CC(C)[N@H+](C)CC(=O)NCC[NH+](Cc1ccc(C#N)cc1F)C1CC1 ZINC001443061335 1097469623 /nfs/dbraw/zinc/46/96/23/1097469623.db2.gz NEOMZTQYNRQUPQ-UHFFFAOYSA-N 2 2 346.450 2.118 10 30 EEEELP CC(C)[N@@H+](C)CC(=O)NCC[NH+](Cc1ccc(C#N)cc1F)C1CC1 ZINC001443061335 1097469627 /nfs/dbraw/zinc/46/96/27/1097469627.db2.gz NEOMZTQYNRQUPQ-UHFFFAOYSA-N 2 2 346.450 2.118 10 30 EEEELP CC(C)[NH+](C)CC(=O)NCC[N@H+](Cc1ccc(C#N)cc1F)C1CC1 ZINC001443061335 1097469631 /nfs/dbraw/zinc/46/96/31/1097469631.db2.gz NEOMZTQYNRQUPQ-UHFFFAOYSA-N 2 2 346.450 2.118 10 30 EEEELP CC(C)[NH+](C)CC(=O)NCC[N@@H+](Cc1ccc(C#N)cc1F)C1CC1 ZINC001443061335 1097469632 /nfs/dbraw/zinc/46/96/32/1097469632.db2.gz NEOMZTQYNRQUPQ-UHFFFAOYSA-N 2 2 346.450 2.118 10 30 EEEELP C=CCOCC[NH2+]C1CCC(NC(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC001480405585 1100220603 /nfs/dbraw/zinc/22/06/03/1100220603.db2.gz ZYPONTOTYYUVFZ-UHFFFAOYSA-N 2 2 348.491 2.146 10 30 EEEELP Cc1c[nH+]c2cc(C(=O)N(C)CC[NH2+]CC#Cc3ccccc3)ccn12 ZINC001493543616 1108289843 /nfs/dbraw/zinc/28/98/43/1108289843.db2.gz FCWASTDVNLYYLL-UHFFFAOYSA-N 2 2 346.434 2.356 10 30 EEEELP C=CCC[NH2+]C[C@](C)(NC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1)C1CC1 ZINC001568022091 1124234871 /nfs/dbraw/zinc/23/48/71/1124234871.db2.gz QMWBEXJTAJUQQO-MJGOQNOKSA-N 2 2 345.491 2.241 10 30 EEEELP C=CCC[NH2+]C[C@](C)(NC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1)C1CC1 ZINC001568022091 1124234875 /nfs/dbraw/zinc/23/48/75/1124234875.db2.gz QMWBEXJTAJUQQO-MJGOQNOKSA-N 2 2 345.491 2.241 10 30 EEEELP C=CCNC(=O)C[NH+]1CCC(Cn2c(C)[nH+]c3ccccc32)CC1 ZINC000038535776 213213404 /nfs/dbraw/zinc/21/34/04/213213404.db2.gz WMIVFFJGAMKZIY-UHFFFAOYSA-N 2 2 326.444 2.359 10 30 EEEELP C[N@@H+]1CCCC[C@H]1CN1CC[NH+](Cc2ccc(OCC#N)cc2)CC1 ZINC000264644903 464406670 /nfs/dbraw/zinc/40/66/70/464406670.db2.gz YRDJGZQVPAYVMJ-IBGZPJMESA-N 2 2 342.487 2.191 10 30 EEEELP C[N@H+]1CCCC[C@H]1CN1CC[NH+](Cc2ccc(OCC#N)cc2)CC1 ZINC000264644903 464406677 /nfs/dbraw/zinc/40/66/77/464406677.db2.gz YRDJGZQVPAYVMJ-IBGZPJMESA-N 2 2 342.487 2.191 10 30 EEEELP C[NH+](C)Cc1ccc(C(N)=[NH+]OCc2ccc3c(c2)OCCO3)cc1 ZINC000267017944 464905643 /nfs/dbraw/zinc/90/56/43/464905643.db2.gz PNTXDOBENQUCBF-UHFFFAOYSA-N 2 2 341.411 2.357 10 30 EEEELP C=CC(C)(C)CNC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000455361740 467670522 /nfs/dbraw/zinc/67/05/22/467670522.db2.gz FERZMGPXROKTKS-UHFFFAOYSA-N 2 2 336.524 2.448 10 30 EEEELP C=CC[NH+](CC=C)[C@@H](CNC(=O)N[C@H](C)c1[nH+]ccn1C)C(C)C ZINC000662101047 471985785 /nfs/dbraw/zinc/98/57/85/471985785.db2.gz QSSICWCCJJMYGN-CVEARBPZSA-N 2 2 333.480 2.479 10 30 EEEELP C=CC[C@@]1(C(=O)NCc2[nH+]ccn2CCc2ccccc2)CCC[NH2+]1 ZINC000662753317 472236240 /nfs/dbraw/zinc/23/62/40/472236240.db2.gz YHESPFJHMOMORJ-FQEVSTJZSA-N 2 2 338.455 2.440 10 30 EEEELP Cc1nc(N2CC[NH+](CCCOc3cccc(C#N)c3)CC2)cc[nH+]1 ZINC000183764030 534755969 /nfs/dbraw/zinc/75/59/69/534755969.db2.gz JSYSMSFIHGQEQE-UHFFFAOYSA-N 2 2 337.427 2.248 10 30 EEEELP Cn1cc[nH+]c1N1CC[NH+](Cc2cc(Cl)ccc2OCC#N)CC1 ZINC000746448789 577927938 /nfs/dbraw/zinc/92/79/38/577927938.db2.gz BTENPKGTOWOBAJ-UHFFFAOYSA-N 2 2 345.834 2.298 10 30 EEEELP C#CC[N@@H+](C)CCC[NH2+]Cc1cc(Br)c(O)c(OC)c1 ZINC000328108641 683152786 /nfs/dbraw/zinc/15/27/86/683152786.db2.gz NLBHUGALFAHREH-UHFFFAOYSA-N 2 2 341.249 2.208 10 30 EEEELP C#CC[N@H+](C)CCC[NH2+]Cc1cc(Br)c(O)c(OC)c1 ZINC000328108641 683152788 /nfs/dbraw/zinc/15/27/88/683152788.db2.gz NLBHUGALFAHREH-UHFFFAOYSA-N 2 2 341.249 2.208 10 30 EEEELP C[C@H](CCC[NH2+]Cc1cc(F)ccc1C#N)NC(=O)Cc1[nH]cc[nH+]1 ZINC001485743798 1191918904 /nfs/dbraw/zinc/91/89/04/1191918904.db2.gz IDAZEWQRKPZMQY-CYBMUJFWSA-N 2 2 343.406 2.038 10 30 EEEELP C#CCC[NH2+][C@H]1CCC[C@@H](NC(=O)Cc2cn3cccc(C)c3[nH+]2)C1 ZINC001772514413 1176493392 /nfs/dbraw/zinc/49/33/92/1176493392.db2.gz JPUOALFVVDFSRF-DLBZAZTESA-N 2 2 338.455 2.226 10 30 EEEELP C=CCC[NH2+][C@H]1CCN(C(=O)Cc2c[nH+]ccc2OC)C[C@H]1CC ZINC001670582003 1176925880 /nfs/dbraw/zinc/92/58/80/1176925880.db2.gz POBSAYQRJLIDKI-WBVHZDCISA-N 2 2 331.460 2.426 10 30 EEEELP O=C(N[C@H]1C[C@H]([NH2+]CC#Cc2ccccc2)C1)c1cccc2[nH+]ccn21 ZINC001266605649 1176945392 /nfs/dbraw/zinc/94/53/92/1176945392.db2.gz NPYMPMUKRLPDEB-IYARVYRRSA-N 2 2 344.418 2.236 10 30 EEEELP C=C(C)C[N@@H+](C)CC1CCN(C(=O)Cc2c[nH+]ccc2OC)CC1 ZINC001267600782 1179645405 /nfs/dbraw/zinc/64/54/05/1179645405.db2.gz GDHADSHYRBRMLR-UHFFFAOYSA-N 2 2 331.460 2.379 10 30 EEEELP C=C(C)C[N@H+](C)CC1CCN(C(=O)Cc2c[nH+]ccc2OC)CC1 ZINC001267600782 1179645408 /nfs/dbraw/zinc/64/54/08/1179645408.db2.gz GDHADSHYRBRMLR-UHFFFAOYSA-N 2 2 331.460 2.379 10 30 EEEELP C=CCC[C@H](C)[NH2+]C1(CNC(=O)c2cc([C@H]3CCC[N@@H+]3C)n[nH]2)CC1 ZINC001269416006 1184251821 /nfs/dbraw/zinc/25/18/21/1184251821.db2.gz NWVNOZRRQGRTCP-WMLDXEAASA-N 2 2 345.491 2.383 10 30 EEEELP C=CCC[C@H](C)[NH2+]C1(CNC(=O)c2cc([C@H]3CCC[N@H+]3C)n[nH]2)CC1 ZINC001269416006 1184251826 /nfs/dbraw/zinc/25/18/26/1184251826.db2.gz NWVNOZRRQGRTCP-WMLDXEAASA-N 2 2 345.491 2.383 10 30 EEEELP C=C(C)CC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC001269997958 1184773226 /nfs/dbraw/zinc/77/32/26/1184773226.db2.gz SVXZEUNAESEDEC-ULQDDVLXSA-N 2 2 330.476 2.429 10 30 EEEELP C=CC[N@H+](CC1CC1)C1CCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001670989217 1193539418 /nfs/dbraw/zinc/53/94/18/1193539418.db2.gz MNFBLXUUBGKCCA-HNNXBMFYSA-N 2 2 330.476 2.477 10 30 EEEELP C=CC[N@@H+](CC1CC1)C1CCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001670989217 1193539420 /nfs/dbraw/zinc/53/94/20/1193539420.db2.gz MNFBLXUUBGKCCA-HNNXBMFYSA-N 2 2 330.476 2.477 10 30 EEEELP C=CC[N@H+](CC1CC1)C1CCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001670989217 1193539422 /nfs/dbraw/zinc/53/94/22/1193539422.db2.gz MNFBLXUUBGKCCA-HNNXBMFYSA-N 2 2 330.476 2.477 10 30 EEEELP C=CC[N@@H+](CC1CC1)C1CCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001670989217 1193539423 /nfs/dbraw/zinc/53/94/23/1193539423.db2.gz MNFBLXUUBGKCCA-HNNXBMFYSA-N 2 2 330.476 2.477 10 30 EEEELP C#CC[NH2+]C[C@H](NC(=O)Cc1c[nH+]cn1C)c1ccc2ccccc2c1 ZINC001483993684 1191147234 /nfs/dbraw/zinc/14/72/34/1191147234.db2.gz YZKBNWBAIXRGNT-FQEVSTJZSA-N 2 2 346.434 2.196 10 30 EEEELP C=C(Cl)C[NH2+]C[C@]1(C)CCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001484099967 1191210559 /nfs/dbraw/zinc/21/05/59/1191210559.db2.gz KURSDZQGYQLSBN-PBHICJAKSA-N 2 2 336.867 2.026 10 30 EEEELP C#CC[NH2+][C@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)c1ccccc1CC ZINC001484325063 1191305552 /nfs/dbraw/zinc/30/55/52/1191305552.db2.gz XOPDXMVQUPATDL-RTBURBONSA-N 2 2 327.472 2.113 10 30 EEEELP C=CC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC001484393855 1191332491 /nfs/dbraw/zinc/33/24/91/1191332491.db2.gz CURBEOGLOHDHOV-ULQDDVLXSA-N 2 2 330.476 2.144 10 30 EEEELP C=CCC[C@H](C)[NH2+]CC1(NC(=O)[C@H]2C[N@H+](C)CCO2)CCCCC1 ZINC001485447599 1191793629 /nfs/dbraw/zinc/79/36/29/1191793629.db2.gz BCTOERCLTYNGFU-DLBZAZTESA-N 2 2 337.508 2.080 10 30 EEEELP C=CCC[C@H](C)[NH2+]CC1(NC(=O)[C@H]2C[N@@H+](C)CCO2)CCCCC1 ZINC001485447599 1191793631 /nfs/dbraw/zinc/79/36/31/1191793631.db2.gz BCTOERCLTYNGFU-DLBZAZTESA-N 2 2 337.508 2.080 10 30 EEEELP CC(C)(C)[C@@H](C[NH2+]Cc1cccc(C#N)c1)NC(=O)Cn1cc[nH+]c1 ZINC001411218831 1198929132 /nfs/dbraw/zinc/92/91/32/1198929132.db2.gz UKVQSBCKDNHOSF-QGZVFWFLSA-N 2 2 339.443 2.075 10 30 EEEELP COC(=O)[C@@H](c1ccc(C#N)cc1)[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000866665690 1201574572 /nfs/dbraw/zinc/57/45/72/1201574572.db2.gz IDDNCSUNVDAKFJ-QZTJIDSGSA-N 2 2 327.428 2.236 10 30 EEEELP C[C@@H](CC(=O)NC/C=C/C[NH2+]CC#Cc1ccccc1)n1cc[nH+]c1 ZINC001274404893 1205024731 /nfs/dbraw/zinc/02/47/31/1205024731.db2.gz QZYNLDRRLLMPCK-QWNKOJSDSA-N 2 2 336.439 2.148 10 30 EEEELP C=C(CC[NH+](C)C)C(=O)N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000900035109 1233986838 /nfs/dbraw/zinc/98/68/38/1233986838.db2.gz XYNJKVKSZIJJJE-UHFFFAOYSA-N 2 2 345.491 2.065 10 30 EEEELP C#CCN(C(=O)CCCn1cc[nH+]c1)C1CC[NH+](CC2CCC2)CC1 ZINC001278207395 1306307476 /nfs/dbraw/zinc/30/74/76/1306307476.db2.gz QQGRWUCEJGYGJS-UHFFFAOYSA-N 2 2 342.487 2.390 10 30 EEEELP CC#CC[NH2+]C[C@]1(C)CCN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001278510824 1310972058 /nfs/dbraw/zinc/97/20/58/1310972058.db2.gz DPJPNQYMJAVMBX-HKUYNNGSSA-N 2 2 330.476 2.322 10 30 EEEELP C=C(C)C[N@H+]1CCC[C@](C)(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001278678740 1317675599 /nfs/dbraw/zinc/67/55/99/1317675599.db2.gz UPLOKMCMXVAIJK-GPMSIDNRSA-N 2 2 330.476 2.318 10 30 EEEELP C=C(C)C[N@@H+]1CCC[C@](C)(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001278678740 1317675605 /nfs/dbraw/zinc/67/56/05/1317675605.db2.gz UPLOKMCMXVAIJK-GPMSIDNRSA-N 2 2 330.476 2.318 10 30 EEEELP C#CCC[NH+]1CCC([C@H](C)NC(=O)Cc2cn3c([nH+]2)CCCC3)CC1 ZINC001279136796 1323838623 /nfs/dbraw/zinc/83/86/23/1323838623.db2.gz MVKDKMOOOFVAHW-INIZCTEOSA-N 2 2 342.487 2.002 10 30 EEEELP C#CCC[NH2+]CCN(Cc1ccccc1)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001279318356 1323873168 /nfs/dbraw/zinc/87/31/68/1323873168.db2.gz LGOCURHQYFMMQX-UHFFFAOYSA-N 2 2 338.455 2.329 10 30 EEEELP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[N@@H+](CC)C/C(Cl)=C\Cl ZINC001316892362 1331959131 /nfs/dbraw/zinc/95/91/31/1331959131.db2.gz HOKRKIANWSTJII-ZQHYZAEZSA-N 2 2 346.302 2.231 10 30 EEEELP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[N@H+](CC)C/C(Cl)=C\Cl ZINC001316892362 1331959134 /nfs/dbraw/zinc/95/91/34/1331959134.db2.gz HOKRKIANWSTJII-ZQHYZAEZSA-N 2 2 346.302 2.231 10 30 EEEELP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH+](CC)C/C(Cl)=C\Cl ZINC001316892362 1331959135 /nfs/dbraw/zinc/95/91/35/1331959135.db2.gz HOKRKIANWSTJII-ZQHYZAEZSA-N 2 2 346.302 2.231 10 30 EEEELP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH+](CC)C/C(Cl)=C\Cl ZINC001316892362 1331959137 /nfs/dbraw/zinc/95/91/37/1331959137.db2.gz HOKRKIANWSTJII-ZQHYZAEZSA-N 2 2 346.302 2.231 10 30 EEEELP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)CC[NH+](C)CC#Cc1ccccc1 ZINC001320090785 1332821392 /nfs/dbraw/zinc/82/13/92/1332821392.db2.gz PRLNUMUHHZKIQX-HXUWFJFHSA-N 2 2 341.499 2.303 10 30 EEEELP CC[N@H+]1CCCC[C@@H]1C(=O)N(C)CC[NH+](C)CC#Cc1ccccc1 ZINC001320090785 1332821395 /nfs/dbraw/zinc/82/13/95/1332821395.db2.gz PRLNUMUHHZKIQX-HXUWFJFHSA-N 2 2 341.499 2.303 10 30 EEEELP CC[NH+]1CCCC[C@@H]1C(=O)N(C)CC[N@H+](C)CC#Cc1ccccc1 ZINC001320090785 1332821397 /nfs/dbraw/zinc/82/13/97/1332821397.db2.gz PRLNUMUHHZKIQX-HXUWFJFHSA-N 2 2 341.499 2.303 10 30 EEEELP CC[NH+]1CCCC[C@@H]1C(=O)N(C)CC[N@@H+](C)CC#Cc1ccccc1 ZINC001320090785 1332821399 /nfs/dbraw/zinc/82/13/99/1332821399.db2.gz PRLNUMUHHZKIQX-HXUWFJFHSA-N 2 2 341.499 2.303 10 30 EEEELP C=CCCC[N@@H+]1CC[C@H]([C@H]2CCCN(C(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC001328808180 1334526157 /nfs/dbraw/zinc/52/61/57/1334526157.db2.gz OLPSZGDPETZRFW-IRXDYDNUSA-N 2 2 330.476 2.479 10 30 EEEELP C=CCCC[N@H+]1CC[C@H]([C@H]2CCCN(C(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC001328808180 1334526162 /nfs/dbraw/zinc/52/61/62/1334526162.db2.gz OLPSZGDPETZRFW-IRXDYDNUSA-N 2 2 330.476 2.479 10 30 EEEELP CC#CC[NH2+][C@H](CCNC(=O)Cc1cn2cccc(C)c2[nH+]1)C(C)C ZINC001331223912 1334981849 /nfs/dbraw/zinc/98/18/49/1334981849.db2.gz LBXSHZMBHOHWMO-GOSISDBHSA-N 2 2 340.471 2.329 10 30 EEEELP C[C@H](CNC(=O)Cn1cc[nH+]c1)[N@H+](C)CC#Cc1cccc(Cl)c1 ZINC001675053313 1356930118 /nfs/dbraw/zinc/93/01/18/1356930118.db2.gz APWXVLJBFFSQNE-OAHLLOKOSA-N 2 2 344.846 2.025 10 30 EEEELP C[C@H](CNC(=O)Cn1cc[nH+]c1)[N@@H+](C)CC#Cc1cccc(Cl)c1 ZINC001675053313 1356930120 /nfs/dbraw/zinc/93/01/20/1356930120.db2.gz APWXVLJBFFSQNE-OAHLLOKOSA-N 2 2 344.846 2.025 10 30 EEEELP C=CCCC[N@@H+]1CC[C@H](CCNC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001567703802 1342816585 /nfs/dbraw/zinc/81/65/85/1342816585.db2.gz ZKHNUGITZYXMOX-IRXDYDNUSA-N 2 2 330.476 2.240 10 30 EEEELP C=CCCC[N@H+]1CC[C@H](CCNC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001567703802 1342816590 /nfs/dbraw/zinc/81/65/90/1342816590.db2.gz ZKHNUGITZYXMOX-IRXDYDNUSA-N 2 2 330.476 2.240 10 30 EEEELP C=CCOCC[N@H+]1CCC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)[C@@H]1C ZINC001676872177 1357226751 /nfs/dbraw/zinc/22/67/51/1357226751.db2.gz GMYJJXYRNCIMOL-HOCLYGCPSA-N 2 2 342.443 2.348 10 30 EEEELP C=CCOCC[N@@H+]1CCC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)[C@@H]1C ZINC001676872177 1357226755 /nfs/dbraw/zinc/22/67/55/1357226755.db2.gz GMYJJXYRNCIMOL-HOCLYGCPSA-N 2 2 342.443 2.348 10 30 EEEELP C=CCCC[N@@H+]1CC[C@H](CNC(=O)[C@H]2COCC[NH+]2C2CCCC2)C1 ZINC001663612980 1355000331 /nfs/dbraw/zinc/00/03/31/1355000331.db2.gz KGXGCIQNDBYEAS-IEBWSBKVSA-N 2 2 349.519 2.034 10 30 EEEELP C=CCCC[N@H+]1CC[C@H](CNC(=O)[C@H]2COCC[NH+]2C2CCCC2)C1 ZINC001663612980 1355000344 /nfs/dbraw/zinc/00/03/44/1355000344.db2.gz KGXGCIQNDBYEAS-IEBWSBKVSA-N 2 2 349.519 2.034 10 30 EEEELP C=CCCC[NH+]1CC[C@H](CNC(=O)[C@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC001663612980 1355000349 /nfs/dbraw/zinc/00/03/49/1355000349.db2.gz KGXGCIQNDBYEAS-IEBWSBKVSA-N 2 2 349.519 2.034 10 30 EEEELP C=CCCC[NH+]1CC[C@H](CNC(=O)[C@H]2COCC[N@H+]2C2CCCC2)C1 ZINC001663612980 1355000353 /nfs/dbraw/zinc/00/03/53/1355000353.db2.gz KGXGCIQNDBYEAS-IEBWSBKVSA-N 2 2 349.519 2.034 10 30 EEEELP C=CCC[NH2+][C@@H](C)C1CCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC001664443421 1355165646 /nfs/dbraw/zinc/16/56/46/1355165646.db2.gz VHSOYMKWGHDVDE-DOTOQJQBSA-N 2 2 330.476 2.238 10 30 EEEELP C=CCCC[N@H+]1C[C@@H]2CCCN(C(=O)CCc3c[nH+]cn3C)[C@@H]2C1 ZINC001672567440 1356556499 /nfs/dbraw/zinc/55/64/99/1356556499.db2.gz CZFHMLRAASGZLN-FUHWJXTLSA-N 2 2 330.476 2.242 10 30 EEEELP C=CCCC[N@@H+]1C[C@@H]2CCCN(C(=O)CCc3c[nH+]cn3C)[C@@H]2C1 ZINC001672567440 1356556500 /nfs/dbraw/zinc/55/65/00/1356556500.db2.gz CZFHMLRAASGZLN-FUHWJXTLSA-N 2 2 330.476 2.242 10 30 EEEELP C[C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)[NH+](C)CC#Cc1ccc(F)cc1 ZINC001674949436 1356915434 /nfs/dbraw/zinc/91/54/34/1356915434.db2.gz TYCCMWMWFLLBLE-QFBILLFUSA-N 2 2 345.462 2.098 10 30 EEEELP C[C@@H](CNC(=O)[C@H]1CCCC[N@H+]1C)[NH+](C)CC#Cc1ccc(F)cc1 ZINC001674949436 1356915438 /nfs/dbraw/zinc/91/54/38/1356915438.db2.gz TYCCMWMWFLLBLE-QFBILLFUSA-N 2 2 345.462 2.098 10 30 EEEELP C[C@@H](CNC(=O)[C@H]1CCCC[NH+]1C)[N@H+](C)CC#Cc1ccc(F)cc1 ZINC001674949436 1356915439 /nfs/dbraw/zinc/91/54/39/1356915439.db2.gz TYCCMWMWFLLBLE-QFBILLFUSA-N 2 2 345.462 2.098 10 30 EEEELP C[C@@H](CNC(=O)[C@H]1CCCC[NH+]1C)[N@@H+](C)CC#Cc1ccc(F)cc1 ZINC001674949436 1356915441 /nfs/dbraw/zinc/91/54/41/1356915441.db2.gz TYCCMWMWFLLBLE-QFBILLFUSA-N 2 2 345.462 2.098 10 30 EEEELP C=CCCC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001691889992 1404956562 /nfs/dbraw/zinc/95/65/62/1404956562.db2.gz QHOWPBPHCUZEHY-GVDBMIGSSA-N 2 2 330.476 2.286 10 30 EEEELP C#CC[N@H+]1CCC[C@H]1C(=O)NCc1ccc(C[NH2+]CC(=C)Cl)cc1 ZINC001698718286 1405022310 /nfs/dbraw/zinc/02/23/10/1405022310.db2.gz MMZUOMBEAQMUJG-SFHVURJKSA-N 2 2 345.874 2.243 10 30 EEEELP C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1ccc(C[NH2+]CC(=C)Cl)cc1 ZINC001698718286 1405022319 /nfs/dbraw/zinc/02/23/19/1405022319.db2.gz MMZUOMBEAQMUJG-SFHVURJKSA-N 2 2 345.874 2.243 10 30 EEEELP C#CCC1(NC(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CCCCC1 ZINC000918906079 769466831 /nfs/dbraw/zinc/46/68/31/769466831.db2.gz LEJQAYGWYQNZNX-QGZVFWFLSA-N 2 2 346.519 2.180 10 30 EEEELP C#CCC1(NC(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CCCCC1 ZINC000918906079 769466835 /nfs/dbraw/zinc/46/68/35/769466835.db2.gz LEJQAYGWYQNZNX-QGZVFWFLSA-N 2 2 346.519 2.180 10 30 EEEELP CC(C)[N@H+](C)CC(=O)NC[C@@H]1CCC[NH+]1Cc1cc(C#N)ccc1F ZINC001442845690 1097236558 /nfs/dbraw/zinc/23/65/58/1097236558.db2.gz KRPJONWPNMQPOK-KRWDZBQOSA-N 2 2 346.450 2.118 10 30 EEEELP CC(C)[N@@H+](C)CC(=O)NC[C@@H]1CCC[NH+]1Cc1cc(C#N)ccc1F ZINC001442845690 1097236562 /nfs/dbraw/zinc/23/65/62/1097236562.db2.gz KRPJONWPNMQPOK-KRWDZBQOSA-N 2 2 346.450 2.118 10 30 EEEELP CC(C)[NH+](C)CC(=O)NC[C@@H]1CCC[N@@H+]1Cc1cc(C#N)ccc1F ZINC001442845690 1097236566 /nfs/dbraw/zinc/23/65/66/1097236566.db2.gz KRPJONWPNMQPOK-KRWDZBQOSA-N 2 2 346.450 2.118 10 30 EEEELP CC(C)[NH+](C)CC(=O)NC[C@@H]1CCC[N@H+]1Cc1cc(C#N)ccc1F ZINC001442845690 1097236569 /nfs/dbraw/zinc/23/65/69/1097236569.db2.gz KRPJONWPNMQPOK-KRWDZBQOSA-N 2 2 346.450 2.118 10 30 EEEELP C=CCC[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2cccc3[nH+]ccn32)CCO1 ZINC001502065026 1113575539 /nfs/dbraw/zinc/57/55/39/1113575539.db2.gz WRDZNUYQBHRGII-JKSUJKDBSA-N 2 2 342.443 2.120 10 30 EEEELP CC#CC[N@H+](C)C1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC001506959378 1115007112 /nfs/dbraw/zinc/00/71/12/1115007112.db2.gz BFAGLWUBTQBENA-UHFFFAOYSA-N 2 2 336.439 2.432 10 30 EEEELP CC#CC[N@@H+](C)C1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC001506959378 1115007115 /nfs/dbraw/zinc/00/71/15/1115007115.db2.gz BFAGLWUBTQBENA-UHFFFAOYSA-N 2 2 336.439 2.432 10 30 EEEELP C[C@H](CNC(=O)c1cccc2[nH+]ccn21)C[NH2+]CC#Cc1ccccc1 ZINC001568183002 1124344557 /nfs/dbraw/zinc/34/45/57/1124344557.db2.gz VZHNXSAMENJWAN-KRWDZBQOSA-N 2 2 346.434 2.342 10 30 EEEELP C[NH+]1CCC(CNC(=O)c2ccc(C#N)s2)([NH+]2CCCCC2)CC1 ZINC000531152376 267332641 /nfs/dbraw/zinc/33/26/41/267332641.db2.gz IQJZZKVSMYITCN-UHFFFAOYSA-N 2 2 346.500 2.300 10 30 EEEELP COCC[N@@H+]1CCC[C@@H]1C[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000375803798 274027685 /nfs/dbraw/zinc/02/76/85/274027685.db2.gz FMHADIKWSSMDEE-HXUWFJFHSA-N 2 2 342.487 2.227 10 30 EEEELP COCC[N@H+]1CCC[C@@H]1C[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000375803798 274027687 /nfs/dbraw/zinc/02/76/87/274027687.db2.gz FMHADIKWSSMDEE-HXUWFJFHSA-N 2 2 342.487 2.227 10 30 EEEELP C[C@@H]([NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1)C(=O)N(C)CCC#N ZINC000180656521 464361823 /nfs/dbraw/zinc/36/18/23/464361823.db2.gz BMISVDZJOHBMEW-LSDHHAIUSA-N 2 2 325.416 2.283 10 30 EEEELP N#Cc1ccc(C[NH+]2CCC([NH2+]Cc3nnc4ccccn43)CC2)cc1 ZINC000183830044 464915240 /nfs/dbraw/zinc/91/52/40/464915240.db2.gz ABRCEJRJRLDBQJ-UHFFFAOYSA-N 2 2 346.438 2.355 10 30 EEEELP CN(C(=O)CC1(C#N)CC1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000590315041 468233894 /nfs/dbraw/zinc/23/38/94/468233894.db2.gz HMTYITXRHMOMDC-QZTJIDSGSA-N 2 2 346.519 2.476 10 30 EEEELP CN(C(=O)CC1(C#N)CC1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000590315041 468233902 /nfs/dbraw/zinc/23/39/02/468233902.db2.gz HMTYITXRHMOMDC-QZTJIDSGSA-N 2 2 346.519 2.476 10 30 EEEELP C[NH+]1CCC(CNC(=O)c2cscc2C#N)([NH+]2CCCCC2)CC1 ZINC000556359851 468523365 /nfs/dbraw/zinc/52/33/65/468523365.db2.gz ADTVKOFGFHOFOJ-UHFFFAOYSA-N 2 2 346.500 2.300 10 30 EEEELP N#CCCCC[C@H]([NH3+])C(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000594445766 468591549 /nfs/dbraw/zinc/59/15/49/468591549.db2.gz LMCMZHJLVVHGFU-AWEZNQCLSA-N 2 2 335.477 2.479 10 30 EEEELP N#CC1(C[C@H](O)C[NH2+]CCCc2[nH]c3ccccc3[nH+]2)CCOCC1 ZINC000600718851 468633238 /nfs/dbraw/zinc/63/32/38/468633238.db2.gz AYUXRMYIIJGXHG-HNNXBMFYSA-N 2 2 342.443 2.156 10 30 EEEELP Cc1ccc(C[NH+]2CCN(C[C@H]3CCCC[N@H+]3C)CC2)cc1C#N ZINC000599285921 469191168 /nfs/dbraw/zinc/19/11/68/469191168.db2.gz AJLLETPUNVMYFN-HXUWFJFHSA-N 2 2 326.488 2.469 10 30 EEEELP Cc1ccc(C[NH+]2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)cc1C#N ZINC000599285921 469191172 /nfs/dbraw/zinc/19/11/72/469191172.db2.gz AJLLETPUNVMYFN-HXUWFJFHSA-N 2 2 326.488 2.469 10 30 EEEELP C=CC[C@H]1CCCC[C@@H]1NC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000664537560 471786145 /nfs/dbraw/zinc/78/61/45/471786145.db2.gz OPWCZQZGRNCYRR-WMZOPIPTSA-N 2 2 336.524 2.447 10 30 EEEELP N#CCc1ccc(OC[C@H](O)C[NH2+]C[C@@H]2CC[N@@H+]2C2CCCC2)cc1 ZINC000600757216 485626319 /nfs/dbraw/zinc/62/63/19/485626319.db2.gz QSIQKYTXQJBQPR-RBUKOAKNSA-N 2 2 343.471 2.099 10 30 EEEELP N#CCc1ccc(OC[C@H](O)C[NH2+]C[C@@H]2CC[N@H+]2C2CCCC2)cc1 ZINC000600757216 485626325 /nfs/dbraw/zinc/62/63/25/485626325.db2.gz QSIQKYTXQJBQPR-RBUKOAKNSA-N 2 2 343.471 2.099 10 30 EEEELP C=C(C)CC[N@@H+](C)C1CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC001485760886 1191935582 /nfs/dbraw/zinc/93/55/82/1191935582.db2.gz QUZWTRTVHMBIMK-MRXNPFEDSA-N 2 2 330.476 2.335 10 30 EEEELP C=C(C)CC[N@H+](C)C1CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC001485760886 1191935584 /nfs/dbraw/zinc/93/55/84/1191935584.db2.gz QUZWTRTVHMBIMK-MRXNPFEDSA-N 2 2 330.476 2.335 10 30 EEEELP C=CCC[C@@H](C)[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001691449877 1178844058 /nfs/dbraw/zinc/84/40/58/1178844058.db2.gz AFFHTCNULRFYME-NCOADZHNSA-N 2 2 330.476 2.285 10 30 EEEELP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](C[C@@H](C)CC(C)C)C1 ZINC001267628048 1180023852 /nfs/dbraw/zinc/02/38/52/1180023852.db2.gz MODLWGTZKPOKLZ-FHWLQOOXSA-N 2 2 333.520 2.347 10 30 EEEELP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCC[N@H+](C[C@@H](C)CC(C)C)C1 ZINC001267628048 1180023859 /nfs/dbraw/zinc/02/38/59/1180023859.db2.gz MODLWGTZKPOKLZ-FHWLQOOXSA-N 2 2 333.520 2.347 10 30 EEEELP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCC[NH+](C[C@@H](C)CC(C)C)C1 ZINC001267628048 1180023866 /nfs/dbraw/zinc/02/38/66/1180023866.db2.gz MODLWGTZKPOKLZ-FHWLQOOXSA-N 2 2 333.520 2.347 10 30 EEEELP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCC[NH+](C[C@@H](C)CC(C)C)C1 ZINC001267628048 1180023868 /nfs/dbraw/zinc/02/38/68/1180023868.db2.gz MODLWGTZKPOKLZ-FHWLQOOXSA-N 2 2 333.520 2.347 10 30 EEEELP C#CCC[NH2+][C@H]1CCN(C(=O)Cc2cn3cccc(C)c3[nH+]2)C[C@@H]1C ZINC001268140290 1181802523 /nfs/dbraw/zinc/80/25/23/1181802523.db2.gz XIPUOKJTJCNLEE-WMZOPIPTSA-N 2 2 338.455 2.035 10 30 EEEELP C=CCC[NH2+]Cc1ccc(CNC(=O)[C@H]2CCc3c[nH+]cn3C2)cc1 ZINC001270065292 1184823501 /nfs/dbraw/zinc/82/35/01/1184823501.db2.gz KJWIGKWSPOOKOP-SFHVURJKSA-N 2 2 338.455 2.428 10 30 EEEELP C=C(Br)C[NH2+][C@@H](C)CN(C)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001423142281 1186065882 /nfs/dbraw/zinc/06/58/82/1186065882.db2.gz UVLSLWCRTDOQAQ-STQMWFEESA-N 2 2 343.269 2.179 10 30 EEEELP C#CCC[N@H+]1CC[C@]2(CCN(C(=O)[C@H](CC(C)C)n3cc[nH+]c3)C2)C1 ZINC001483842465 1191076172 /nfs/dbraw/zinc/07/61/72/1191076172.db2.gz OAKIPOOORPERCD-ICSRJNTNSA-N 2 2 342.487 2.418 10 30 EEEELP C#CCC[N@@H+]1CC[C@]2(CCN(C(=O)[C@H](CC(C)C)n3cc[nH+]c3)C2)C1 ZINC001483842465 1191076176 /nfs/dbraw/zinc/07/61/76/1191076176.db2.gz OAKIPOOORPERCD-ICSRJNTNSA-N 2 2 342.487 2.418 10 30 EEEELP C=CCC[N@H+]1CCC[C@@](C)(CNC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001484162517 1191250784 /nfs/dbraw/zinc/25/07/84/1191250784.db2.gz AWMMZDNHGFINJF-APWZRJJASA-N 2 2 330.476 2.240 10 30 EEEELP C=CCC[N@@H+]1CCC[C@@](C)(CNC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001484162517 1191250785 /nfs/dbraw/zinc/25/07/85/1191250785.db2.gz AWMMZDNHGFINJF-APWZRJJASA-N 2 2 330.476 2.240 10 30 EEEELP C=CCC[N@@H+]1C[C@H]2CN(C(=O)[C@@H](CC(C)C)n3cc[nH+]c3)C[C@H]2C1 ZINC001484408460 1191334567 /nfs/dbraw/zinc/33/45/67/1191334567.db2.gz NAEYSJAUWAXHEB-FGTMMUONSA-N 2 2 330.476 2.437 10 30 EEEELP C=CCC[N@H+]1C[C@H]2CN(C(=O)[C@@H](CC(C)C)n3cc[nH+]c3)C[C@H]2C1 ZINC001484408460 1191334568 /nfs/dbraw/zinc/33/45/68/1191334568.db2.gz NAEYSJAUWAXHEB-FGTMMUONSA-N 2 2 330.476 2.437 10 30 EEEELP C=C(C)CC[NH2+]C[C@H]1CCCCN1C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001272974131 1194283057 /nfs/dbraw/zinc/28/30/57/1194283057.db2.gz NSBOFTAMBKHGSI-DLBZAZTESA-N 2 2 330.476 2.382 10 30 EEEELP C=CC(C)(C)CCCNC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000872902996 1198438131 /nfs/dbraw/zinc/43/81/31/1198438131.db2.gz JDOLAWNUAWYPEM-INIZCTEOSA-N 2 2 336.524 2.447 10 30 EEEELP C=CC(C)(C)CCCNC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000872902996 1198438134 /nfs/dbraw/zinc/43/81/34/1198438134.db2.gz JDOLAWNUAWYPEM-INIZCTEOSA-N 2 2 336.524 2.447 10 30 EEEELP C=C(Cl)C[C@H]([NH3+])C(=O)N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC000876893098 1199809141 /nfs/dbraw/zinc/80/91/41/1199809141.db2.gz VNOZBOCZMUBHEL-OCCSQVGLSA-N 2 2 327.881 2.423 10 30 EEEELP C[C@@H](NC(=O)c1cccc2[nH+]ccn21)[C@@H](C)[NH2+]CC#Cc1ccccc1 ZINC001275452908 1205366631 /nfs/dbraw/zinc/36/66/31/1205366631.db2.gz SOLSYNCNVBISNA-IAGOWNOFSA-N 2 2 346.434 2.482 10 30 EEEELP C[N@@H+](CC#Cc1ccccc1)CCNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001267195547 1276635962 /nfs/dbraw/zinc/63/59/62/1276635962.db2.gz DZJALOMPWZRKIH-UHFFFAOYSA-N 2 2 341.499 2.351 10 30 EEEELP C[N@H+](CC#Cc1ccccc1)CCNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001267195547 1276635972 /nfs/dbraw/zinc/63/59/72/1276635972.db2.gz DZJALOMPWZRKIH-UHFFFAOYSA-N 2 2 341.499 2.351 10 30 EEEELP C=CCOCC[NH+]1CCC(C)(NC(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001278080249 1305881125 /nfs/dbraw/zinc/88/11/25/1305881125.db2.gz QTOAEBPUQZGQBE-INIZCTEOSA-N 2 2 334.464 2.008 10 30 EEEELP C[NH+](C)CCC(=O)N[C@@]1(C)CC[N@H+](CC#Cc2ccccc2Cl)C1 ZINC001278420548 1310187256 /nfs/dbraw/zinc/18/72/56/1310187256.db2.gz MVGGBSCWOYVVRV-IBGZPJMESA-N 2 2 347.890 2.224 10 30 EEEELP C[NH+](C)CCC(=O)N[C@@]1(C)CC[N@@H+](CC#Cc2ccccc2Cl)C1 ZINC001278420548 1310187262 /nfs/dbraw/zinc/18/72/62/1310187262.db2.gz MVGGBSCWOYVVRV-IBGZPJMESA-N 2 2 347.890 2.224 10 30 EEEELP C=CCC[N@H+]1CCC[C@@](C)(CNC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001278667641 1317608314 /nfs/dbraw/zinc/60/83/14/1317608314.db2.gz HFOWHVJVZRCVPH-LPHOPBHVSA-N 2 2 330.476 2.240 10 30 EEEELP C=CCC[N@@H+]1CCC[C@@](C)(CNC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001278667641 1317608321 /nfs/dbraw/zinc/60/83/21/1317608321.db2.gz HFOWHVJVZRCVPH-LPHOPBHVSA-N 2 2 330.476 2.240 10 30 EEEELP CC[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)[NH2+]CC#Cc1ccc(Cl)cc1 ZINC001318593044 1332564865 /nfs/dbraw/zinc/56/48/65/1332564865.db2.gz YPXZOCAKPVHECP-INIZCTEOSA-N 2 2 344.846 2.142 10 30 EEEELP C=CCCC[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCn4c[nH+]cc4C3)C2)C1 ZINC001323859368 1333560298 /nfs/dbraw/zinc/56/02/98/1333560298.db2.gz WBFFWGFGUUSSIF-XLIONFOSSA-N 2 2 342.487 2.336 10 30 EEEELP C=CCCC[N@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCn4c[nH+]cc4C3)C2)C1 ZINC001323859368 1333560300 /nfs/dbraw/zinc/56/03/00/1333560300.db2.gz WBFFWGFGUUSSIF-XLIONFOSSA-N 2 2 342.487 2.336 10 30 EEEELP CCN(CC[NH2+]Cc1ccc(C#N)cc1)C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001568783425 1342854301 /nfs/dbraw/zinc/85/43/01/1342854301.db2.gz UKAQEVKYNKSKCI-OAHLLOKOSA-N 2 2 339.443 2.098 10 30 EEEELP CCN(CC[NH2+]Cc1ccc(C#N)cc1)C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001568783425 1342854304 /nfs/dbraw/zinc/85/43/04/1342854304.db2.gz UKAQEVKYNKSKCI-OAHLLOKOSA-N 2 2 339.443 2.098 10 30 EEEELP C=CCC[C@H](C)[N@H+](C)C[C@@H](O)CN(C)C(=O)c1cccc2[nH+]ccn21 ZINC001677160010 1357287015 /nfs/dbraw/zinc/28/70/15/1357287015.db2.gz AWHDMBVADNCNKO-JKSUJKDBSA-N 2 2 344.459 2.054 10 30 EEEELP C=CCC[C@H](C)[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1cccc2[nH+]ccn21 ZINC001677160010 1357287017 /nfs/dbraw/zinc/28/70/17/1357287017.db2.gz AWHDMBVADNCNKO-JKSUJKDBSA-N 2 2 344.459 2.054 10 30 EEEELP C[C@@H](CC(=O)NCCC[N@H+](C)Cc1ccc(C#N)s1)n1cc[nH+]c1 ZINC001660316864 1354438321 /nfs/dbraw/zinc/43/83/21/1354438321.db2.gz GAKKQIMPJJFCSF-AWEZNQCLSA-N 2 2 345.472 2.406 10 30 EEEELP C[C@@H](CC(=O)NCCC[N@@H+](C)Cc1ccc(C#N)s1)n1cc[nH+]c1 ZINC001660316864 1354438324 /nfs/dbraw/zinc/43/83/24/1354438324.db2.gz GAKKQIMPJJFCSF-AWEZNQCLSA-N 2 2 345.472 2.406 10 30 EEEELP C=CCOCC[NH+]1CCC(N(C)C(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC001660780740 1354537673 /nfs/dbraw/zinc/53/76/73/1354537673.db2.gz WSYVFLDMLIVISB-UHFFFAOYSA-N 2 2 348.491 2.052 10 30 EEEELP CC[C@@H](CNC(=O)Cc1c[nH]c[nH+]1)[NH2+]CC#Cc1ccccc1Cl ZINC001665850337 1355399306 /nfs/dbraw/zinc/39/93/06/1355399306.db2.gz SDBILDBNMXPJNR-HNNXBMFYSA-N 2 2 344.846 2.142 10 30 EEEELP C=CC[NH2+]C1(CNC(=O)Cc2cn3cccc(C)c3[nH+]2)CCCC1 ZINC001666796499 1355591918 /nfs/dbraw/zinc/59/19/18/1355591918.db2.gz SIYYBFKPAXVUEO-UHFFFAOYSA-N 2 2 326.444 2.390 10 30 EEEELP C[C@@H](CC[NH2+]CC#Cc1cccc(Cl)c1)NC(=O)Cn1cc[nH+]c1 ZINC001668333470 1355925273 /nfs/dbraw/zinc/92/52/73/1355925273.db2.gz ZGVWRRAEHPBFSI-HNNXBMFYSA-N 2 2 344.846 2.073 10 30 EEEELP C=CCCC[NH2+][C@@H](C)[C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)CCO1 ZINC001675597583 1357011519 /nfs/dbraw/zinc/01/15/19/1357011519.db2.gz BSPSIOLVXOQTOV-KSSFIOAISA-N 2 2 342.443 2.348 10 30 EEEELP C[C@H](CN(C)C(=O)C[C@@H](C)n1cc[nH+]c1)[NH2+]Cc1ccccc1C#N ZINC001448737296 1093808598 /nfs/dbraw/zinc/80/85/98/1093808598.db2.gz SBSRGFGRZCZZLA-HZPDHXFCSA-N 2 2 339.443 2.343 10 30 EEEELP CC(C)N(CC[N@H+](C)Cc1ccccc1C#N)C(=O)[C@@H]1CCC[NH+]1C ZINC001442106276 1096333358 /nfs/dbraw/zinc/33/33/58/1096333358.db2.gz ZUCCEDINKWRICH-IBGZPJMESA-N 2 2 342.487 2.321 10 30 EEEELP CC(C)N(CC[N@@H+](C)Cc1ccccc1C#N)C(=O)[C@@H]1CCC[NH+]1C ZINC001442106276 1096333364 /nfs/dbraw/zinc/33/33/64/1096333364.db2.gz ZUCCEDINKWRICH-IBGZPJMESA-N 2 2 342.487 2.321 10 30 EEEELP CC(C)N(CC[NH+](C)Cc1ccccc1C#N)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001442106276 1096333369 /nfs/dbraw/zinc/33/33/69/1096333369.db2.gz ZUCCEDINKWRICH-IBGZPJMESA-N 2 2 342.487 2.321 10 30 EEEELP CC(C)N(CC[NH+](C)Cc1ccccc1C#N)C(=O)[C@@H]1CCC[N@H+]1C ZINC001442106276 1096333376 /nfs/dbraw/zinc/33/33/76/1096333376.db2.gz ZUCCEDINKWRICH-IBGZPJMESA-N 2 2 342.487 2.321 10 30 EEEELP C=C(C)C[NH2+]CC[C@H]1CCCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001495359406 1101073856 /nfs/dbraw/zinc/07/38/56/1101073856.db2.gz KCKSPHNPPXMHRZ-SJORKVTESA-N 2 2 330.476 2.240 10 30 EEEELP C=C(Cl)C[NH2+]C1(CNC(=O)c2cc3c[nH+]ccc3[nH]2)CCOCC1 ZINC001446707962 1101274379 /nfs/dbraw/zinc/27/43/79/1101274379.db2.gz BBKVJDBUOOEXNL-UHFFFAOYSA-N 2 2 348.834 2.184 10 30 EEEELP CC#CC[NH2+]C1CCC(N(C)C(=O)Cc2cn3c([nH+]2)CCCC3)CC1 ZINC001505780775 1114187993 /nfs/dbraw/zinc/18/79/93/1114187993.db2.gz MNWWQMBTABIIHM-UHFFFAOYSA-N 2 2 342.487 2.144 10 30 EEEELP CC#CC[N@H+]1CC[C@@H](N(CC)C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001567938545 1124193365 /nfs/dbraw/zinc/19/33/65/1124193365.db2.gz HPIXVDIXBILNAE-QZTJIDSGSA-N 2 2 330.476 2.416 10 30 EEEELP CC#CC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001567938545 1124193366 /nfs/dbraw/zinc/19/33/66/1124193366.db2.gz HPIXVDIXBILNAE-QZTJIDSGSA-N 2 2 330.476 2.416 10 30 EEEELP C=CC[NH2+]C[C@@H](NC(=O)[C@H]1CCn2c[nH+]cc2C1)C1CCCCC1 ZINC001568343132 1124427657 /nfs/dbraw/zinc/42/76/57/1124427657.db2.gz BXVNVQYYGQTNGG-FUHWJXTLSA-N 2 2 330.476 2.286 10 30 EEEELP C[C@H](CC(=O)NC/C=C/C[NH2+]Cc1ccc(C#N)cc1)n1cc[nH+]c1 ZINC001568926814 1124956588 /nfs/dbraw/zinc/95/65/88/1124956588.db2.gz JZJZIERQQPQIOW-WOMSROEHSA-N 2 2 337.427 2.168 10 30 EEEELP O=C(NCc1cn2c([nH+]1)CCCC2)N1CC[NH+](C2CCCC2)CC1 ZINC000328800231 539761791 /nfs/dbraw/zinc/76/17/91/539761791.db2.gz YESUDXWNOXWEEW-UHFFFAOYSA-N 2 2 331.464 2.194 10 30 EEEELP [O-]C(=[NH+][C@@H]1CCc2[nH]c[nH+]c2C1)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000329694795 465407720 /nfs/dbraw/zinc/40/77/20/465407720.db2.gz BDPWJZUJIQKHMW-HUUCEWRRSA-N 2 2 331.464 2.131 10 30 EEEELP [O-]C(=[NH+][C@@H]1CCc2[nH+]c[nH]c2C1)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000329694795 465407724 /nfs/dbraw/zinc/40/77/24/465407724.db2.gz BDPWJZUJIQKHMW-HUUCEWRRSA-N 2 2 331.464 2.131 10 30 EEEELP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)NCc1[nH+]ccn1CC(F)(F)F ZINC000330816995 465815955 /nfs/dbraw/zinc/81/59/55/465815955.db2.gz RDPRWSZKSQUCEO-LBPRGKRZSA-N 2 2 347.385 2.133 10 30 EEEELP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)NCc1[nH+]ccn1CC(F)(F)F ZINC000330816995 465815961 /nfs/dbraw/zinc/81/59/61/465815961.db2.gz RDPRWSZKSQUCEO-LBPRGKRZSA-N 2 2 347.385 2.133 10 30 EEEELP Cc1ccc(NCCCNc2[nH+]cnc3c2cnn3CCC#N)[nH+]c1 ZINC000097200225 525279281 /nfs/dbraw/zinc/27/92/81/525279281.db2.gz FGVUOSJQVCWPBI-UHFFFAOYSA-N 2 2 336.403 2.358 10 30 EEEELP C#CC[NH+]1CCN(C(=O)C[N@H+]2CC[C@@H](C)C[C@H]2c2ccc(C)o2)CC1 ZINC000748823838 577967613 /nfs/dbraw/zinc/96/76/13/577967613.db2.gz YGIOTYPYKMVWOK-AEFFLSMTSA-N 2 2 343.471 2.138 10 30 EEEELP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C[C@H]2c2ccc(C)o2)CC1 ZINC000748823838 577967614 /nfs/dbraw/zinc/96/76/14/577967614.db2.gz YGIOTYPYKMVWOK-AEFFLSMTSA-N 2 2 343.471 2.138 10 30 EEEELP C=CCC[C@@H](C)[NH2+]CCN(C)C(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC001267420219 1178986453 /nfs/dbraw/zinc/98/64/53/1178986453.db2.gz WCDCBBZFCRYZQJ-SJLPKXTDSA-N 2 2 337.508 2.033 10 30 EEEELP C=CCC[C@@H](C)[NH2+]CCN(C)C(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC001267420219 1178986456 /nfs/dbraw/zinc/98/64/56/1178986456.db2.gz WCDCBBZFCRYZQJ-SJLPKXTDSA-N 2 2 337.508 2.033 10 30 EEEELP C=CCOCC[N@H+]1CCC[C@H]1CNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001481038794 1179587444 /nfs/dbraw/zinc/58/74/44/1179587444.db2.gz HYGILTCHWGOVHT-KRWDZBQOSA-N 2 2 342.443 2.040 10 30 EEEELP C=CCOCC[N@@H+]1CCC[C@H]1CNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001481038794 1179587448 /nfs/dbraw/zinc/58/74/48/1179587448.db2.gz HYGILTCHWGOVHT-KRWDZBQOSA-N 2 2 342.443 2.040 10 30 EEEELP C=CCCCCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001267749264 1180400370 /nfs/dbraw/zinc/40/03/70/1180400370.db2.gz KDMMDJQTVLGIIE-BRWVUGGUSA-N 2 2 330.476 2.461 10 30 EEEELP 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C=CCC[NH2+]C[C@@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)C[C@H]1C(F)(F)F ZINC001332468315 1335830804 /nfs/dbraw/zinc/83/08/04/1335830804.db2.gz FMCGVSWJKDFODQ-CHWSQXEVSA-N 2 2 344.381 2.063 10 30 EEEELP C=CCn1c(C[NH+]2CCCC2)nnc1N1CC[NH+](C2CCCC2)CC1 ZINC001339206404 1336975698 /nfs/dbraw/zinc/97/56/98/1336975698.db2.gz SMBNOEVVERHLBP-UHFFFAOYSA-N 2 2 344.507 2.125 10 30 EEEELP C#CC[N@@H+](C)C[C@H]1CCCN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001566739637 1342618806 /nfs/dbraw/zinc/61/88/06/1342618806.db2.gz ZMYFJQUZDYZQOX-QZTJIDSGSA-N 2 2 330.476 2.274 10 30 EEEELP C#CC[N@H+](C)C[C@H]1CCCN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001566739637 1342618809 /nfs/dbraw/zinc/61/88/09/1342618809.db2.gz ZMYFJQUZDYZQOX-QZTJIDSGSA-N 2 2 330.476 2.274 10 30 EEEELP C=CCCCCC[NH2+][C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001566773342 1342628337 /nfs/dbraw/zinc/62/83/37/1342628337.db2.gz CWKFCTSDEQXWEU-GVDBMIGSSA-N 2 2 330.476 2.461 10 30 EEEELP C=CCCC[N@@H+]1CC[C@@H](CCNC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001567703803 1342816103 /nfs/dbraw/zinc/81/61/03/1342816103.db2.gz ZKHNUGITZYXMOX-SJORKVTESA-N 2 2 330.476 2.240 10 30 EEEELP C=CCCC[N@H+]1CC[C@@H](CCNC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001567703803 1342816110 /nfs/dbraw/zinc/81/61/10/1342816110.db2.gz ZKHNUGITZYXMOX-SJORKVTESA-N 2 2 330.476 2.240 10 30 EEEELP C=CCCCCC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001569363721 1342859216 /nfs/dbraw/zinc/85/92/16/1342859216.db2.gz ZIMAPNKRQJRXAN-DLBZAZTESA-N 2 2 330.476 2.382 10 30 EEEELP C=CCCCCC[N@H+]1CC[C@@H]1CNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001569363721 1342859218 /nfs/dbraw/zinc/85/92/18/1342859218.db2.gz ZIMAPNKRQJRXAN-DLBZAZTESA-N 2 2 330.476 2.382 10 30 EEEELP C=CCCC[N@H+]1C[C@@]2(C)CN(C(=O)CCc3[nH+]ccn3C)C[C@@]2(C)C1 ZINC001571064655 1343158459 /nfs/dbraw/zinc/15/84/59/1343158459.db2.gz SZBWIOAUBSGMIO-BGYRXZFFSA-N 2 2 344.503 2.489 10 30 EEEELP C=CCCC[N@@H+]1C[C@@]2(C)CN(C(=O)CCc3[nH+]ccn3C)C[C@@]2(C)C1 ZINC001571064655 1343158462 /nfs/dbraw/zinc/15/84/62/1343158462.db2.gz SZBWIOAUBSGMIO-BGYRXZFFSA-N 2 2 344.503 2.489 10 30 EEEELP C=C(Cl)C[N@H+]1CC=C(CNC(=O)CC[NH+]2CCCCC2)CC1 ZINC001571700918 1343280839 /nfs/dbraw/zinc/28/08/39/1343280839.db2.gz SDFWMGIOXBSIOG-UHFFFAOYSA-N 2 2 325.884 2.363 10 30 EEEELP C=C(Cl)C[N@@H+]1CC=C(CNC(=O)CC[NH+]2CCCCC2)CC1 ZINC001571700918 1343280843 /nfs/dbraw/zinc/28/08/43/1343280843.db2.gz SDFWMGIOXBSIOG-UHFFFAOYSA-N 2 2 325.884 2.363 10 30 EEEELP C#CCC[N@H+]1CC[C@H](NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC(C)(C)C1 ZINC001657105760 1354327500 /nfs/dbraw/zinc/32/75/00/1354327500.db2.gz CAVXRMIWSRONOD-HOTGVXAUSA-N 2 2 330.476 2.218 10 30 EEEELP C#CCC[N@@H+]1CC[C@H](NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC(C)(C)C1 ZINC001657105760 1354327505 /nfs/dbraw/zinc/32/75/05/1354327505.db2.gz CAVXRMIWSRONOD-HOTGVXAUSA-N 2 2 330.476 2.218 10 30 EEEELP C#CCC[N@H+]1CC[C@H](NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC(C)(C)C1 ZINC001657105760 1354327511 /nfs/dbraw/zinc/32/75/11/1354327511.db2.gz CAVXRMIWSRONOD-HOTGVXAUSA-N 2 2 330.476 2.218 10 30 EEEELP C#CCC[N@@H+]1CC[C@H](NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC(C)(C)C1 ZINC001657105760 1354327514 /nfs/dbraw/zinc/32/75/14/1354327514.db2.gz CAVXRMIWSRONOD-HOTGVXAUSA-N 2 2 330.476 2.218 10 30 EEEELP C=C(C)CC[NH2+]C1CCC(NC(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC001662117796 1354751946 /nfs/dbraw/zinc/75/19/46/1354751946.db2.gz ZDNNOWLSDFSJBG-GTPINHCMSA-N 2 2 330.476 2.429 10 30 EEEELP C=CCCC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001664817316 1355234267 /nfs/dbraw/zinc/23/42/67/1355234267.db2.gz FQHHGOMRPFVZFC-DLBZAZTESA-N 2 2 330.476 2.192 10 30 EEEELP C=CCCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001664817316 1355234271 /nfs/dbraw/zinc/23/42/71/1355234271.db2.gz FQHHGOMRPFVZFC-DLBZAZTESA-N 2 2 330.476 2.192 10 30 EEEELP C=C(C)C[NH2+]C[C@H](CC(C)C)NC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1 ZINC001667086295 1355646284 /nfs/dbraw/zinc/64/62/84/1355646284.db2.gz IYDICDUDELSDSD-YJBOKZPZSA-N 2 2 347.507 2.487 10 30 EEEELP C=C(C)C[NH2+]C[C@H](CC(C)C)NC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1 ZINC001667086295 1355646289 /nfs/dbraw/zinc/64/62/89/1355646289.db2.gz IYDICDUDELSDSD-YJBOKZPZSA-N 2 2 347.507 2.487 10 30 EEEELP CC#CC[N@H+](C)Cc1ccccc1CNC(=O)CCCn1cc[nH+]c1 ZINC001672933871 1356618176 /nfs/dbraw/zinc/61/81/76/1356618176.db2.gz MUXRLPKSPVXNLR-UHFFFAOYSA-N 2 2 338.455 2.435 10 30 EEEELP CC#CC[N@@H+](C)Cc1ccccc1CNC(=O)CCCn1cc[nH+]c1 ZINC001672933871 1356618182 /nfs/dbraw/zinc/61/81/82/1356618182.db2.gz MUXRLPKSPVXNLR-UHFFFAOYSA-N 2 2 338.455 2.435 10 30 EEEELP C#CC[NH+]1Cc2ccccc2C[C@@H]1CNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001673634788 1356722067 /nfs/dbraw/zinc/72/20/67/1356722067.db2.gz VLQIBTUSEBSADN-WOJBJXKFSA-N 2 2 339.483 2.037 10 30 EEEELP C#CC[NH+]1Cc2ccccc2C[C@@H]1CNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001673634788 1356722069 /nfs/dbraw/zinc/72/20/69/1356722069.db2.gz VLQIBTUSEBSADN-WOJBJXKFSA-N 2 2 339.483 2.037 10 30 EEEELP C#CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)CC[C@H]1CCC[NH+]1C ZINC001673634788 1356722071 /nfs/dbraw/zinc/72/20/71/1356722071.db2.gz VLQIBTUSEBSADN-WOJBJXKFSA-N 2 2 339.483 2.037 10 30 EEEELP C#CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)CC[C@H]1CCC[NH+]1C ZINC001673634788 1356722073 /nfs/dbraw/zinc/72/20/73/1356722073.db2.gz VLQIBTUSEBSADN-WOJBJXKFSA-N 2 2 339.483 2.037 10 30 EEEELP CC#CC[N@@H+](CC)CC1CCN(C(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001674348260 1356822306 /nfs/dbraw/zinc/82/23/06/1356822306.db2.gz RYTIMCNGOMXWOO-KRWDZBQOSA-N 2 2 330.476 2.418 10 30 EEEELP CC#CC[N@H+](CC)CC1CCN(C(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001674348260 1356822311 /nfs/dbraw/zinc/82/23/11/1356822311.db2.gz RYTIMCNGOMXWOO-KRWDZBQOSA-N 2 2 330.476 2.418 10 30 EEEELP C=CC[N@@H+]1CC[C@H](NC(=O)[C@H]2COCC[NH+]2C2CCCC2)C(C)(C)C1 ZINC000940973940 779598752 /nfs/dbraw/zinc/59/87/52/779598752.db2.gz ZYOSWCZQUJJXJU-MSOLQXFVSA-N 2 2 349.519 2.033 10 30 EEEELP C=CC[N@H+]1CC[C@H](NC(=O)[C@H]2COCC[NH+]2C2CCCC2)C(C)(C)C1 ZINC000940973940 779598753 /nfs/dbraw/zinc/59/87/53/779598753.db2.gz ZYOSWCZQUJJXJU-MSOLQXFVSA-N 2 2 349.519 2.033 10 30 EEEELP C=CC[NH+]1CC[C@H](NC(=O)[C@H]2COCC[N@@H+]2C2CCCC2)C(C)(C)C1 ZINC000940973940 779598756 /nfs/dbraw/zinc/59/87/56/779598756.db2.gz ZYOSWCZQUJJXJU-MSOLQXFVSA-N 2 2 349.519 2.033 10 30 EEEELP C=CC[NH+]1CC[C@H](NC(=O)[C@H]2COCC[N@H+]2C2CCCC2)C(C)(C)C1 ZINC000940973940 779598761 /nfs/dbraw/zinc/59/87/61/779598761.db2.gz ZYOSWCZQUJJXJU-MSOLQXFVSA-N 2 2 349.519 2.033 10 30 EEEELP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)[C@@]1(C#N)CC2CCC1CC2 ZINC000906677408 784073712 /nfs/dbraw/zinc/07/37/12/784073712.db2.gz LBCZZCHPAKKEPU-LBXVMSDZSA-N 2 2 346.519 2.191 10 30 EEEELP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)[C@@]1(C#N)CC2CCC1CC2 ZINC000906677408 784073716 /nfs/dbraw/zinc/07/37/16/784073716.db2.gz LBCZZCHPAKKEPU-LBXVMSDZSA-N 2 2 346.519 2.191 10 30 EEEELP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCC[N@H+](C)Cc1ccc(C#N)cc1F ZINC001442603831 1096974759 /nfs/dbraw/zinc/97/47/59/1096974759.db2.gz WBBVJLHAARRSRT-HUUCEWRRSA-N 2 2 346.450 2.118 10 30 EEEELP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCC[N@@H+](C)Cc1ccc(C#N)cc1F ZINC001442603831 1096974763 /nfs/dbraw/zinc/97/47/63/1096974763.db2.gz WBBVJLHAARRSRT-HUUCEWRRSA-N 2 2 346.450 2.118 10 30 EEEELP C=C(C)C[NH2+]Cc1nc2c(s1)CCN(C(=O)[C@@H]1CCCC[N@H+]1C)C2 ZINC001479742287 1098863581 /nfs/dbraw/zinc/86/35/81/1098863581.db2.gz YBQLVPGHRCRHJQ-HNNXBMFYSA-N 2 2 348.516 2.178 10 30 EEEELP C=C(C)C[NH2+]Cc1nc2c(s1)CCN(C(=O)[C@@H]1CCCC[N@@H+]1C)C2 ZINC001479742287 1098863587 /nfs/dbraw/zinc/86/35/87/1098863587.db2.gz YBQLVPGHRCRHJQ-HNNXBMFYSA-N 2 2 348.516 2.178 10 30 EEEELP C=C(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001480317744 1100053821 /nfs/dbraw/zinc/05/38/21/1100053821.db2.gz WLIFSGSMQMAWRE-QGZVFWFLSA-N 2 2 330.476 2.309 10 30 EEEELP C=C(C)C[N@H+]1CCCC[C@@H]1CNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001480317744 1100053828 /nfs/dbraw/zinc/05/38/28/1100053828.db2.gz WLIFSGSMQMAWRE-QGZVFWFLSA-N 2 2 330.476 2.309 10 30 EEEELP C=CCC[NH2+]CC1(NC(=O)Cc2cn3c([nH+]2)CCCC3)CCCC1 ZINC001495160122 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COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000154550591 533365696 /nfs/dbraw/zinc/36/56/96/533365696.db2.gz QONFUUUNTYQGEA-MSOLQXFVSA-N 2 2 338.411 2.442 10 30 EEEELP COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000154550591 533365698 /nfs/dbraw/zinc/36/56/98/533365698.db2.gz QONFUUUNTYQGEA-MSOLQXFVSA-N 2 2 338.411 2.442 10 30 EEEELP C[C@H](CNC(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C)C[NH+]1CCOCC1 ZINC000329052659 465217486 /nfs/dbraw/zinc/21/74/86/465217486.db2.gz WYKTVDVSHMVUJG-BRWVUGGUSA-N 2 2 346.475 2.079 10 30 EEEELP C=CCS(=O)(=O)CC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000272883987 464693437 /nfs/dbraw/zinc/69/34/37/464693437.db2.gz RCWLSDVBQFAHDF-AEFFLSMTSA-N 2 2 336.501 2.087 10 30 EEEELP C=CCS(=O)(=O)CC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000272883987 464693440 /nfs/dbraw/zinc/69/34/40/464693440.db2.gz RCWLSDVBQFAHDF-AEFFLSMTSA-N 2 2 336.501 2.087 10 30 EEEELP C[C@H](C(=O)N(C)CCC#N)[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282112059 464701409 /nfs/dbraw/zinc/70/14/09/464701409.db2.gz QBHTYYKFOUYLBI-CVEARBPZSA-N 2 2 343.475 2.159 10 30 EEEELP C[C@H](C(=O)N(C)CCC#N)[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282112059 464701413 /nfs/dbraw/zinc/70/14/13/464701413.db2.gz QBHTYYKFOUYLBI-CVEARBPZSA-N 2 2 343.475 2.159 10 30 EEEELP C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)[C@H]([NH3+])CCCCC#N)CC1 ZINC000594447164 468592811 /nfs/dbraw/zinc/59/28/11/468592811.db2.gz ULRQZUONILXZGS-GOEBONIOSA-N 2 2 334.489 2.365 10 30 EEEELP CC1(C)NC(=O)CC[C@H]1[NH2+]C1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593695799 469097733 /nfs/dbraw/zinc/09/77/33/469097733.db2.gz UYJDOQPKTPEUJU-GOSISDBHSA-N 2 2 340.471 2.169 10 30 EEEELP Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C)CCC[NH2+]Cc1ccc(C#N)s1 ZINC001485747109 1191929885 /nfs/dbraw/zinc/92/98/85/1191929885.db2.gz UUFWWMYNTVGGGZ-LBPRGKRZSA-N 2 2 345.472 2.269 10 30 EEEELP C=C(C)C[N@H+](C)C[C@H]1CCCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001266460179 1176575934 /nfs/dbraw/zinc/57/59/34/1176575934.db2.gz XIQAGHLLNKMXIB-IAGOWNOFSA-N 2 2 330.476 2.192 10 30 EEEELP C=C(C)C[N@@H+](C)C[C@H]1CCCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001266460179 1176575941 /nfs/dbraw/zinc/57/59/41/1176575941.db2.gz XIQAGHLLNKMXIB-IAGOWNOFSA-N 2 2 330.476 2.192 10 30 EEEELP C=CCOCC[NH2+]C1(CNC(=O)c2cccc3[nH+]ccn32)CCCC1 ZINC001268037251 1181380655 /nfs/dbraw/zinc/38/06/55/1181380655.db2.gz FBELSSHCXPKEJE-UHFFFAOYSA-N 2 2 342.443 2.169 10 30 EEEELP C=CCC[C@H](C)[N@@H+]1CC[C@@H](N(C)C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001269251998 1184103887 /nfs/dbraw/zinc/10/38/87/1184103887.db2.gz VDDSOLZPBIWJRQ-LSDHHAIUSA-N 2 2 334.464 2.237 10 30 EEEELP C=CCC[C@H](C)[N@H+]1CC[C@@H](N(C)C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001269251998 1184103892 /nfs/dbraw/zinc/10/38/92/1184103892.db2.gz VDDSOLZPBIWJRQ-LSDHHAIUSA-N 2 2 334.464 2.237 10 30 EEEELP C=C(Cl)C[NH2+]CC[C@H]1CCCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC001269752185 1184590007 /nfs/dbraw/zinc/59/00/07/1184590007.db2.gz TWTBHILUFMMLJE-OAHLLOKOSA-N 2 2 338.883 2.324 10 30 EEEELP C#CCN(C(=O)C[C@H](C)n1cc[nH+]c1)C1CC[NH+](CCCF)CC1 ZINC001270345563 1185034120 /nfs/dbraw/zinc/03/41/20/1185034120.db2.gz GYHLCRYCFBFLCN-INIZCTEOSA-N 2 2 334.439 2.120 10 30 EEEELP C=C(C)C[NH2+]C[C@H](NC(=O)Cc1c[nH+]ccc1OC)C1CCCC1 ZINC001270414471 1185087265 /nfs/dbraw/zinc/08/72/65/1185087265.db2.gz NWAHVIIGJBLJCO-KRWDZBQOSA-N 2 2 331.460 2.473 10 30 EEEELP C=CC[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001271705561 1186384913 /nfs/dbraw/zinc/38/49/13/1186384913.db2.gz OVSVAPGVMNHDOG-DOTOQJQBSA-N 2 2 330.476 2.165 10 30 EEEELP C=CC[N@H+](CC1CC1)C1CCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001670989218 1193539789 /nfs/dbraw/zinc/53/97/89/1193539789.db2.gz MNFBLXUUBGKCCA-OAHLLOKOSA-N 2 2 330.476 2.477 10 30 EEEELP C=CC[N@@H+](CC1CC1)C1CCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001670989218 1193539790 /nfs/dbraw/zinc/53/97/90/1193539790.db2.gz MNFBLXUUBGKCCA-OAHLLOKOSA-N 2 2 330.476 2.477 10 30 EEEELP C=CC[N@H+](CC1CC1)C1CCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001670989218 1193539792 /nfs/dbraw/zinc/53/97/92/1193539792.db2.gz MNFBLXUUBGKCCA-OAHLLOKOSA-N 2 2 330.476 2.477 10 30 EEEELP C=CC[N@@H+](CC1CC1)C1CCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001670989218 1193539793 /nfs/dbraw/zinc/53/97/93/1193539793.db2.gz MNFBLXUUBGKCCA-OAHLLOKOSA-N 2 2 330.476 2.477 10 30 EEEELP C[C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)[NH+](C)Cc1ccc(C#N)cc1F ZINC001409589968 1190070770 /nfs/dbraw/zinc/07/07/70/1190070770.db2.gz NTTXTFYVKIMYLI-KBXCAEBGSA-N 2 2 346.450 2.118 10 30 EEEELP C[C@@H](CNC(=O)[C@H]1CCCC[N@H+]1C)[NH+](C)Cc1ccc(C#N)cc1F ZINC001409589968 1190070773 /nfs/dbraw/zinc/07/07/73/1190070773.db2.gz NTTXTFYVKIMYLI-KBXCAEBGSA-N 2 2 346.450 2.118 10 30 EEEELP C[C@@H](CNC(=O)[C@H]1CCCC[NH+]1C)[N@H+](C)Cc1ccc(C#N)cc1F ZINC001409589968 1190070778 /nfs/dbraw/zinc/07/07/78/1190070778.db2.gz NTTXTFYVKIMYLI-KBXCAEBGSA-N 2 2 346.450 2.118 10 30 EEEELP C[C@@H](CNC(=O)[C@H]1CCCC[NH+]1C)[N@@H+](C)Cc1ccc(C#N)cc1F ZINC001409589968 1190070780 /nfs/dbraw/zinc/07/07/80/1190070780.db2.gz NTTXTFYVKIMYLI-KBXCAEBGSA-N 2 2 346.450 2.118 10 30 EEEELP C=CCCC[NH2+][C@H](C)[C@H]1CCN(C(=O)Cc2c[nH+]ccc2OC)C1 ZINC001484344756 1191312505 /nfs/dbraw/zinc/31/25/05/1191312505.db2.gz PMJLTKDGAJMKTP-CVEARBPZSA-N 2 2 331.460 2.426 10 30 EEEELP C#CCC[N@@H+](CC)CC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001485032873 1191625566 /nfs/dbraw/zinc/62/55/66/1191625566.db2.gz MWVCOELBCYSMSV-QZTJIDSGSA-N 2 2 342.487 2.107 10 30 EEEELP C#CCC[N@H+](CC)CC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001485032873 1191625568 /nfs/dbraw/zinc/62/55/68/1191625568.db2.gz MWVCOELBCYSMSV-QZTJIDSGSA-N 2 2 342.487 2.107 10 30 EEEELP C[C@H]([NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1cccc(C#N)c1O ZINC000866264862 1201479835 /nfs/dbraw/zinc/47/98/35/1201479835.db2.gz FPYCJTYOTPJJHU-GOEBONIOSA-N 2 2 328.460 2.083 10 30 EEEELP C=C(C)CC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001277663138 1304120593 /nfs/dbraw/zinc/12/05/93/1304120593.db2.gz SMYXRTSYTYLULH-IAGOWNOFSA-N 2 2 330.476 2.238 10 30 EEEELP C=C(C)C[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)CCn3cc[nH+]c3)C(C)(C)[C@H]21 ZINC001264029839 1322590594 /nfs/dbraw/zinc/59/05/94/1322590594.db2.gz JXVLTQPJBSOBID-NXHRZFHOSA-N 2 2 330.476 2.455 10 30 EEEELP C=C(C)C[N@H+]1CCC[C@@H]2[C@@H](NC(=O)CCn3cc[nH+]c3)C(C)(C)[C@H]21 ZINC001264029839 1322590597 /nfs/dbraw/zinc/59/05/97/1322590597.db2.gz JXVLTQPJBSOBID-NXHRZFHOSA-N 2 2 330.476 2.455 10 30 EEEELP C=CCC[NH2+]C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)CC[C@@H]1C(F)(F)F ZINC001264038092 1322595124 /nfs/dbraw/zinc/59/51/24/1322595124.db2.gz DJLDGSSFFNABQC-KGLIPLIRSA-N 2 2 344.381 2.076 10 30 EEEELP C=CC[NH2+]C[C@@H]1CN(C(=O)CCn2cc[nH+]c2)CC[C@@H]1C(F)(F)F ZINC001264595104 1322745287 /nfs/dbraw/zinc/74/52/87/1322745287.db2.gz WKPAJVPGADUQFC-KGLIPLIRSA-N 2 2 344.381 2.076 10 30 EEEELP C=CCCC[NH+]1CCC(N(C)C(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC001265193708 1322978429 /nfs/dbraw/zinc/97/84/29/1322978429.db2.gz REVQFZKYMSMUKY-MRXNPFEDSA-N 2 2 330.476 2.335 10 30 EEEELP N#Cc1cccc(C[NH2+]C/C=C\CNC(=O)c2cccc3[nH+]ccn32)c1 ZINC001321156282 1333032935 /nfs/dbraw/zinc/03/29/35/1333032935.db2.gz QTPNGBGVIPSDJR-UPHRSURJSA-N 2 2 345.406 2.282 10 30 EEEELP C#CCC[NH2+][C@@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)[C@H](C)C1 ZINC001324071576 1333601888 /nfs/dbraw/zinc/60/18/88/1333601888.db2.gz GCSNKVXOSLPZQU-SJLPKXTDSA-N 2 2 336.439 2.478 10 30 EEEELP CC#CC[NH2+]C[C@H]1CC[C@H](CNC(=O)CCCn2cc[nH+]c2)CC1 ZINC001325680883 1333939823 /nfs/dbraw/zinc/93/98/23/1333939823.db2.gz YFGZAMZIWPBJQS-IYARVYRRSA-N 2 2 330.476 2.199 10 30 EEEELP C=C(Cl)C[NH2+]CC[C@H]1CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001326305442 1334064248 /nfs/dbraw/zinc/06/42/48/1334064248.db2.gz UPINAILPPDGPBO-LSDHHAIUSA-N 2 2 336.867 2.026 10 30 EEEELP C=CCCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001566753205 1342623752 /nfs/dbraw/zinc/62/37/52/1342623752.db2.gz CDKFDNCDDKJSKJ-YESZJQIVSA-N 2 2 328.460 2.087 10 30 EEEELP C=CCCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001566753205 1342623755 /nfs/dbraw/zinc/62/37/55/1342623755.db2.gz CDKFDNCDDKJSKJ-YESZJQIVSA-N 2 2 328.460 2.087 10 30 EEEELP C=CCC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC001570041617 1343003527 /nfs/dbraw/zinc/00/35/27/1343003527.db2.gz SFILXKBLABNIOH-ULQDDVLXSA-N 2 2 330.476 2.286 10 30 EEEELP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C(F)(F)F ZINC001677052146 1357271727 /nfs/dbraw/zinc/27/17/27/1357271727.db2.gz MARRDJSMHDXVKV-ZIAGYGMSSA-N 2 2 344.381 2.076 10 30 EEEELP N#CCCOCC[N@@H+]1CCC[NH+](Cc2ccccc2)CCOCC1 ZINC001660342225 1354444396 /nfs/dbraw/zinc/44/43/96/1354444396.db2.gz CAGWUKSDMJYPEG-UHFFFAOYSA-N 2 2 331.460 2.141 10 30 EEEELP N#CCCOCC[N@H+]1CCC[NH+](Cc2ccccc2)CCOCC1 ZINC001660342225 1354444399 /nfs/dbraw/zinc/44/43/99/1354444399.db2.gz CAGWUKSDMJYPEG-UHFFFAOYSA-N 2 2 331.460 2.141 10 30 EEEELP N#CCCOCC[NH+]1CCC[N@H+](Cc2ccccc2)CCOCC1 ZINC001660342225 1354444401 /nfs/dbraw/zinc/44/44/01/1354444401.db2.gz CAGWUKSDMJYPEG-UHFFFAOYSA-N 2 2 331.460 2.141 10 30 EEEELP N#CCCOCC[NH+]1CCC[N@@H+](Cc2ccccc2)CCOCC1 ZINC001660342225 1354444404 /nfs/dbraw/zinc/44/44/04/1354444404.db2.gz CAGWUKSDMJYPEG-UHFFFAOYSA-N 2 2 331.460 2.141 10 30 EEEELP C=CCC[C@H](C)[NH2+][C@H]1C[C@@H](NC(=O)c2cc([C@H]3CCC[N@@H+]3C)n[nH]2)C1 ZINC001661602187 1354663752 /nfs/dbraw/zinc/66/37/52/1354663752.db2.gz UWZMIZHBVRWOII-OIPACUDHSA-N 2 2 345.491 2.382 10 30 EEEELP C=CCC[C@H](C)[NH2+][C@H]1C[C@@H](NC(=O)c2cc([C@H]3CCC[N@H+]3C)n[nH]2)C1 ZINC001661602187 1354663758 /nfs/dbraw/zinc/66/37/58/1354663758.db2.gz UWZMIZHBVRWOII-OIPACUDHSA-N 2 2 345.491 2.382 10 30 EEEELP C=C(C)CC[NH2+]C1CCC(NC(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC001662117797 1354752120 /nfs/dbraw/zinc/75/21/20/1354752120.db2.gz ZDNNOWLSDFSJBG-KLAILNCOSA-N 2 2 330.476 2.429 10 30 EEEELP C#CCN(C(=O)Cc1[nH]cc[nH+]1)C1CC[NH+](CC2CCCCC2)CC1 ZINC001671500368 1356351125 /nfs/dbraw/zinc/35/11/25/1356351125.db2.gz UZORZZAEASQWLF-UHFFFAOYSA-N 2 2 342.487 2.459 10 30 EEEELP C=C(C)C[N@H+]1CCC[C@@](C)(CNC(=O)Cc2c[nH+]ccc2OC)C1 ZINC001671891563 1356432233 /nfs/dbraw/zinc/43/22/33/1356432233.db2.gz DDDUFKCRHBLKNR-IBGZPJMESA-N 2 2 331.460 2.427 10 30 EEEELP C=C(C)C[N@@H+]1CCC[C@@](C)(CNC(=O)Cc2c[nH+]ccc2OC)C1 ZINC001671891563 1356432239 /nfs/dbraw/zinc/43/22/39/1356432239.db2.gz DDDUFKCRHBLKNR-IBGZPJMESA-N 2 2 331.460 2.427 10 30 EEEELP C#CCC[NH2+]C1(C)CCN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001673961347 1356765364 /nfs/dbraw/zinc/76/53/64/1356765364.db2.gz LGRSSBKPXMSGNH-QGZVFWFLSA-N 2 2 330.476 2.464 10 30 EEEELP CC#CC[N@H+](CC1CC1)C1CCN(C(=O)CCc2[nH+]ccn2C)CC1 ZINC001699689511 1405443033 /nfs/dbraw/zinc/44/30/33/1405443033.db2.gz VPAQKZVMWFDNAO-UHFFFAOYSA-N 2 2 342.487 2.079 10 30 EEEELP CC#CC[N@@H+](CC1CC1)C1CCN(C(=O)CCc2[nH+]ccn2C)CC1 ZINC001699689511 1405443037 /nfs/dbraw/zinc/44/30/37/1405443037.db2.gz VPAQKZVMWFDNAO-UHFFFAOYSA-N 2 2 342.487 2.079 10 30 EEEELP C=CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)C(C)(C)C1 ZINC000940850756 779431758 /nfs/dbraw/zinc/43/17/58/779431758.db2.gz MTGPQOHUPDMLLL-HOTGVXAUSA-N 2 2 330.476 2.238 10 30 EEEELP C=CCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)C(C)(C)C1 ZINC000940850756 779431762 /nfs/dbraw/zinc/43/17/62/779431762.db2.gz MTGPQOHUPDMLLL-HOTGVXAUSA-N 2 2 330.476 2.238 10 30 EEEELP C[C@@H](CNC(=O)C[C@H](C)n1cc[nH+]c1)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001437217493 1089300035 /nfs/dbraw/zinc/30/00/35/1089300035.db2.gz YWAWRSUYCXKDLZ-KBPBESRZSA-N 2 2 343.406 2.139 10 30 EEEELP C[C@H](C[NH2+]Cc1ccccc1C#N)N(C)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001438710898 1091228804 /nfs/dbraw/zinc/22/88/04/1091228804.db2.gz SGSGTPIPCYRTOB-CQSZACIVSA-N 2 2 339.443 2.196 10 30 EEEELP C=C(Cl)C[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CCCn1cc[nH+]c1 ZINC001440201677 1093273411 /nfs/dbraw/zinc/27/34/11/1093273411.db2.gz MGOAIFBJKLHUKI-HOTGVXAUSA-N 2 2 336.867 2.481 10 30 EEEELP C=C(Cl)C[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CCCn1cc[nH+]c1 ZINC001440201677 1093273418 /nfs/dbraw/zinc/27/34/18/1093273418.db2.gz MGOAIFBJKLHUKI-HOTGVXAUSA-N 2 2 336.867 2.481 10 30 EEEELP C[C@H](CC(=O)N(C)[C@@H](C)C[NH2+]Cc1ccccc1C#N)n1cc[nH+]c1 ZINC001444674132 1099516114 /nfs/dbraw/zinc/51/61/14/1099516114.db2.gz AORSJKYTTUZNCB-CVEARBPZSA-N 2 2 339.443 2.343 10 30 EEEELP C=CCCC[N@H+]1CCC[C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001480263868 1099951483 /nfs/dbraw/zinc/95/14/83/1099951483.db2.gz STGMWPYASJVKAE-BRWVUGGUSA-N 2 2 330.476 2.318 10 30 EEEELP C=CCCC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001480263868 1099951488 /nfs/dbraw/zinc/95/14/88/1099951488.db2.gz STGMWPYASJVKAE-BRWVUGGUSA-N 2 2 330.476 2.318 10 30 EEEELP C=CC[NH2+][C@@H](CNC(=O)Cc1cn2c([nH+]1)CCCC2)c1ccccc1 ZINC001493888457 1103046629 /nfs/dbraw/zinc/04/66/29/1103046629.db2.gz HRRPMHPMZSCYPE-SFHVURJKSA-N 2 2 338.455 2.395 10 30 EEEELP C[C@H](CC(=O)NC/C=C\C[NH2+]Cc1ccc(C#N)cc1)n1cc[nH+]c1 ZINC001568926813 1124956469 /nfs/dbraw/zinc/95/64/69/1124956469.db2.gz JZJZIERQQPQIOW-RXYHWBRQSA-N 2 2 337.427 2.168 10 30 EEEELP CC(C)[NH+]1CCN(C([O-])=[NH+][C@@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)CC1 ZINC000329206105 539769002 /nfs/dbraw/zinc/76/90/02/539769002.db2.gz DQSPMUUKFJIWOJ-OAHLLOKOSA-N 2 2 347.507 2.435 10 30 EEEELP C[N@H+](CCN1CC[NH+](Cc2ccc(C#N)o2)CC1)Cc1ccccc1 ZINC000093104923 218194488 /nfs/dbraw/zinc/19/44/88/218194488.db2.gz MIMAZSNGKXISGJ-UHFFFAOYSA-N 2 2 338.455 2.401 10 30 EEEELP C[N@@H+](CCN1CC[NH+](Cc2ccc(C#N)o2)CC1)Cc1ccccc1 ZINC000093104923 218194491 /nfs/dbraw/zinc/19/44/91/218194491.db2.gz MIMAZSNGKXISGJ-UHFFFAOYSA-N 2 2 338.455 2.401 10 30 EEEELP COc1ccc(C[NH2+][C@@H]2CCO[C@@H](c3c[nH+]cn3C)C2)cc1C#N ZINC000275662341 257992096 /nfs/dbraw/zinc/99/20/96/257992096.db2.gz VCZMXUSLXVAMHR-CRAIPNDOSA-N 2 2 326.400 2.310 10 30 EEEELP C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CCN(c2cc[nH+]cc2OC)CC1 ZINC000361530315 466079447 /nfs/dbraw/zinc/07/94/47/466079447.db2.gz JANXLJVRAXLNFC-MRXNPFEDSA-N 2 2 346.475 2.025 10 30 EEEELP CC(C)C[C@@H](C[NH+]1CCCC1)[NH2+]C[C@H](O)CC1(C#N)CCOCC1 ZINC000600738517 468643382 /nfs/dbraw/zinc/64/33/82/468643382.db2.gz JFQRUKQYNVHUTN-ZWKOTPCHSA-N 2 2 337.508 2.158 10 30 EEEELP N#Cc1ccc(C[NH+]2CCC([NH2+][C@H]3C[C@@H](O)C34CCC4)CC2)cc1 ZINC000594990343 468738987 /nfs/dbraw/zinc/73/89/87/468738987.db2.gz XJGPQMXJCSDWMP-RBUKOAKNSA-N 2 2 325.456 2.416 10 30 EEEELP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](Cc2ccc(CC)s2)CC1 ZINC000737933806 576115113 /nfs/dbraw/zinc/11/51/13/576115113.db2.gz FJGUKZJQBLZDGL-SFHVURJKSA-N 2 2 345.512 2.052 10 30 EEEELP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](Cc2ccc(CC)s2)CC1 ZINC000737933806 576115117 /nfs/dbraw/zinc/11/51/17/576115117.db2.gz FJGUKZJQBLZDGL-SFHVURJKSA-N 2 2 345.512 2.052 10 30 EEEELP C=CCC[C@H](C)[NH2+]CCN(C)C(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC001267420217 1178986610 /nfs/dbraw/zinc/98/66/10/1178986610.db2.gz WCDCBBZFCRYZQJ-FUHWJXTLSA-N 2 2 337.508 2.033 10 30 EEEELP C=CCC[C@H](C)[NH2+]CCN(C)C(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC001267420217 1178986616 /nfs/dbraw/zinc/98/66/16/1178986616.db2.gz WCDCBBZFCRYZQJ-FUHWJXTLSA-N 2 2 337.508 2.033 10 30 EEEELP C=C(C)CC[NH2+]C[C@@H](NC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1)C1CC1 ZINC001269071253 1183939752 /nfs/dbraw/zinc/93/97/52/1183939752.db2.gz FPNIINCVTSETFJ-QZTJIDSGSA-N 2 2 345.491 2.241 10 30 EEEELP C=C(C)CC[NH2+]C[C@@H](NC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1)C1CC1 ZINC001269071253 1183939755 /nfs/dbraw/zinc/93/97/55/1183939755.db2.gz FPNIINCVTSETFJ-QZTJIDSGSA-N 2 2 345.491 2.241 10 30 EEEELP C=C(C)C[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)CCCn2cc[nH+]c2)C1 ZINC001271109295 1185891569 /nfs/dbraw/zinc/89/15/69/1185891569.db2.gz IRDGJTHGKVUZFI-HNNXBMFYSA-N 2 2 340.418 2.313 10 30 EEEELP C=C(C)C[N@H+]1CCC(F)(F)[C@@H](CNC(=O)CCCn2cc[nH+]c2)C1 ZINC001271109295 1185891574 /nfs/dbraw/zinc/89/15/74/1185891574.db2.gz IRDGJTHGKVUZFI-HNNXBMFYSA-N 2 2 340.418 2.313 10 30 EEEELP C[C@H](CC[NH2+]Cc1ccccc1C#N)NC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001482878984 1187797863 /nfs/dbraw/zinc/79/78/63/1187797863.db2.gz VWKKLLSZOYQYFF-HUUCEWRRSA-N 2 2 339.443 2.145 10 30 EEEELP C[C@H](CC[NH2+]Cc1ccccc1C#N)NC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001482878984 1187797867 /nfs/dbraw/zinc/79/78/67/1187797867.db2.gz VWKKLLSZOYQYFF-HUUCEWRRSA-N 2 2 339.443 2.145 10 30 EEEELP C=CC[N@H+](CC1CC1)C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001670985450 1193538928 /nfs/dbraw/zinc/53/89/28/1193538928.db2.gz RSYGRYHHTVDXAB-IAGOWNOFSA-N 2 2 328.460 2.402 10 30 EEEELP C=CC[N@@H+](CC1CC1)C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001670985450 1193538930 /nfs/dbraw/zinc/53/89/30/1193538930.db2.gz RSYGRYHHTVDXAB-IAGOWNOFSA-N 2 2 328.460 2.402 10 30 EEEELP C=CC[N@H+](CC1CC1)C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001670985450 1193538931 /nfs/dbraw/zinc/53/89/31/1193538931.db2.gz RSYGRYHHTVDXAB-IAGOWNOFSA-N 2 2 328.460 2.402 10 30 EEEELP C=CC[N@@H+](CC1CC1)C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001670985450 1193538934 /nfs/dbraw/zinc/53/89/34/1193538934.db2.gz RSYGRYHHTVDXAB-IAGOWNOFSA-N 2 2 328.460 2.402 10 30 EEEELP C=CCC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001272259793 1189363996 /nfs/dbraw/zinc/36/39/96/1189363996.db2.gz CRFXWTJQUWQWKU-RDJZCZTQSA-N 2 2 330.476 2.213 10 30 EEEELP C[C@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)[NH+](C)Cc1cc(F)ccc1C#N ZINC001409599033 1190091013 /nfs/dbraw/zinc/09/10/13/1190091013.db2.gz VYTKZMATSRJGLN-RDTXWAMCSA-N 2 2 346.450 2.118 10 30 EEEELP C[C@H](CNC(=O)[C@H]1CCCC[N@H+]1C)[NH+](C)Cc1cc(F)ccc1C#N ZINC001409599033 1190091015 /nfs/dbraw/zinc/09/10/15/1190091015.db2.gz VYTKZMATSRJGLN-RDTXWAMCSA-N 2 2 346.450 2.118 10 30 EEEELP C[C@H](CNC(=O)[C@H]1CCCC[NH+]1C)[N@H+](C)Cc1cc(F)ccc1C#N ZINC001409599033 1190091018 /nfs/dbraw/zinc/09/10/18/1190091018.db2.gz VYTKZMATSRJGLN-RDTXWAMCSA-N 2 2 346.450 2.118 10 30 EEEELP C[C@H](CNC(=O)[C@H]1CCCC[NH+]1C)[N@@H+](C)Cc1cc(F)ccc1C#N ZINC001409599033 1190091021 /nfs/dbraw/zinc/09/10/21/1190091021.db2.gz VYTKZMATSRJGLN-RDTXWAMCSA-N 2 2 346.450 2.118 10 30 EEEELP C#CC[NH2+]C1CCC(N(C)C(=O)[C@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001485239183 1191705553 /nfs/dbraw/zinc/70/55/53/1191705553.db2.gz DRBZQLMXVCDHPC-ABHNRTSZSA-N 2 2 330.476 2.463 10 30 EEEELP C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1(C)C ZINC001486236216 1193762516 /nfs/dbraw/zinc/76/25/16/1193762516.db2.gz OGUNHVINWODRBW-HZPDHXFCSA-N 2 2 330.476 2.238 10 30 EEEELP C=C(Cl)C[NH+]1CCC(C2(NC(=O)Cn3c[nH+]cc3C)CC2)CC1 ZINC001411252856 1198977532 /nfs/dbraw/zinc/97/75/32/1198977532.db2.gz VNORVYLBKXVJOW-UHFFFAOYSA-N 2 2 336.867 2.305 10 30 EEEELP C#CCC1(O)CC[NH+](CCC[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000880484319 1201499535 /nfs/dbraw/zinc/49/95/35/1201499535.db2.gz UVCBPTAZBIDFKI-UHFFFAOYSA-N 2 2 341.499 2.049 10 30 EEEELP C#CCC[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)Cc1c[nH+]ccc1OC ZINC001490296699 1291133105 /nfs/dbraw/zinc/13/31/05/1291133105.db2.gz YVQZZBLRLPDNTP-WBVHZDCISA-N 2 2 329.444 2.015 10 30 EEEELP COCC#CC[NH2+]C[C@]1(C)CCN(C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001278523103 1317136342 /nfs/dbraw/zinc/13/63/42/1317136342.db2.gz CAOFLAXSIDKCEY-FQEVSTJZSA-N 2 2 343.471 2.098 10 30 EEEELP C=CCC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)CCc1c[nH]c[nH+]1 ZINC001281064258 1324750731 /nfs/dbraw/zinc/75/07/31/1324750731.db2.gz WAFJVCZRBPVCHX-IBGZPJMESA-N 2 2 338.455 2.462 10 30 EEEELP C=CCC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)CCc1c[nH]c[nH+]1 ZINC001281064258 1324750737 /nfs/dbraw/zinc/75/07/37/1324750737.db2.gz WAFJVCZRBPVCHX-IBGZPJMESA-N 2 2 338.455 2.462 10 30 EEEELP C=CCC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)CCc1c[nH+]c[nH]1 ZINC001281064258 1324750741 /nfs/dbraw/zinc/75/07/41/1324750741.db2.gz WAFJVCZRBPVCHX-IBGZPJMESA-N 2 2 338.455 2.462 10 30 EEEELP C=CCC[C@H](C)[NH+]1CCC(C2(NC(=O)[C@H]3C[N@H+](C)CCO3)CC2)CC1 ZINC001284844740 1326740880 /nfs/dbraw/zinc/74/08/80/1326740880.db2.gz ZAUDQMRDWFTGGR-FUHWJXTLSA-N 2 2 349.519 2.033 10 30 EEEELP C=CCC[C@H](C)[NH+]1CCC(C2(NC(=O)[C@H]3C[N@@H+](C)CCO3)CC2)CC1 ZINC001284844740 1326740881 /nfs/dbraw/zinc/74/08/81/1326740881.db2.gz ZAUDQMRDWFTGGR-FUHWJXTLSA-N 2 2 349.519 2.033 10 30 EEEELP C=CCCC[N@@H+](C)C[C@H]1CCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001317842094 1332428378 /nfs/dbraw/zinc/42/83/78/1332428378.db2.gz LEPRQHYLAHZPDT-SJORKVTESA-N 2 2 330.476 2.192 10 30 EEEELP C=CCCC[N@H+](C)C[C@H]1CCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001317842094 1332428380 /nfs/dbraw/zinc/42/83/80/1332428380.db2.gz LEPRQHYLAHZPDT-SJORKVTESA-N 2 2 330.476 2.192 10 30 EEEELP N#Cc1ccc(C[NH2+]C/C=C/CNC(=O)c2cccc3[nH+]ccn32)cc1 ZINC001321155431 1333032575 /nfs/dbraw/zinc/03/25/75/1333032575.db2.gz MLGWIZYIVXONAQ-OWOJBTEDSA-N 2 2 345.406 2.282 10 30 EEEELP C#CC[N@H+]1C[C@@H]2CCCN(C(=O)[C@@H](CC(C)C)n3cc[nH+]c3)[C@@H]2C1 ZINC001325943700 1334003178 /nfs/dbraw/zinc/00/31/78/1334003178.db2.gz XUESWNDPQCJTKT-RCCFBDPRSA-N 2 2 328.460 2.026 10 30 EEEELP C#CC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@@H](CC(C)C)n3cc[nH+]c3)[C@@H]2C1 ZINC001325943700 1334003180 /nfs/dbraw/zinc/00/31/80/1334003180.db2.gz XUESWNDPQCJTKT-RCCFBDPRSA-N 2 2 328.460 2.026 10 30 EEEELP C#CC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001328694855 1334500844 /nfs/dbraw/zinc/50/08/44/1334500844.db2.gz XGCJRWHJVAOUBB-NJYVYQBISA-N 2 2 347.462 2.294 10 30 EEEELP C=C(C)CC[NH2+][C@H]1C[C@@H](CNC(=O)c2cc([C@H]3CCC[N@H+]3C)n[nH]2)C1 ZINC001565843603 1342568431 /nfs/dbraw/zinc/56/84/31/1342568431.db2.gz VWKBZIBMUCTIRT-RVKKMQEKSA-N 2 2 345.491 2.241 10 30 EEEELP C=C(C)CC[NH2+][C@H]1C[C@@H](CNC(=O)c2cc([C@H]3CCC[N@@H+]3C)n[nH]2)C1 ZINC001565843603 1342568434 /nfs/dbraw/zinc/56/84/34/1342568434.db2.gz VWKBZIBMUCTIRT-RVKKMQEKSA-N 2 2 345.491 2.241 10 30 EEEELP C=CC[N@@H+](C)CCN(CC)C(=O)[C@@H]1CC[NH+]1Cc1ccc(OC)cc1 ZINC001635757822 1352652040 /nfs/dbraw/zinc/65/20/40/1352652040.db2.gz NAWGKAFFTSKASM-IBGZPJMESA-N 2 2 345.487 2.236 10 30 EEEELP C=CC[N@H+](C)CCN(CC)C(=O)[C@@H]1CC[NH+]1Cc1ccc(OC)cc1 ZINC001635757822 1352652043 /nfs/dbraw/zinc/65/20/43/1352652043.db2.gz NAWGKAFFTSKASM-IBGZPJMESA-N 2 2 345.487 2.236 10 30 EEEELP C=CC[NH+](C)CCN(CC)C(=O)[C@@H]1CC[N@@H+]1Cc1ccc(OC)cc1 ZINC001635757822 1352652051 /nfs/dbraw/zinc/65/20/51/1352652051.db2.gz NAWGKAFFTSKASM-IBGZPJMESA-N 2 2 345.487 2.236 10 30 EEEELP C=CC[NH+](C)CCN(CC)C(=O)[C@@H]1CC[N@H+]1Cc1ccc(OC)cc1 ZINC001635757822 1352652055 /nfs/dbraw/zinc/65/20/55/1352652055.db2.gz NAWGKAFFTSKASM-IBGZPJMESA-N 2 2 345.487 2.236 10 30 EEEELP CC#CC[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001660439546 1354465497 /nfs/dbraw/zinc/46/54/97/1354465497.db2.gz IWSRHBKNORHAAI-AEFFLSMTSA-N 2 2 342.487 2.144 10 30 EEEELP C[C@@H](CC(=O)NC/C=C/C[NH2+]Cc1cccc(C#N)c1)n1cc[nH+]c1 ZINC001699317622 1405332819 /nfs/dbraw/zinc/33/28/19/1405332819.db2.gz SZGOAAXQGQBQJK-KZSQQDEKSA-N 2 2 337.427 2.168 10 30 EEEELP C=CCCC[NH2+]C[C@]1(C)CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001699843581 1405522318 /nfs/dbraw/zinc/52/23/18/1405522318.db2.gz ZVVWDPSKNBIGOX-LPHOPBHVSA-N 2 2 330.476 2.240 10 30 EEEELP C=C(Cl)C[NH2+]C[C@H](NC(=O)[C@@H]1CCn2cc[nH+]c2C1)C(C)(C)C ZINC001449308875 1094262133 /nfs/dbraw/zinc/26/21/33/1094262133.db2.gz MPJNOOSQHGLKHT-KGLIPLIRSA-N 2 2 338.883 2.319 10 30 EEEELP C#CCC[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)Cc1[nH]c[nH+]c1C ZINC001479600882 1098626632 /nfs/dbraw/zinc/62/66/32/1098626632.db2.gz XLVCAVCHULLSEG-CRAIPNDOSA-N 2 2 330.476 2.281 10 30 EEEELP C#CCC[C@@H](O)C[NH2+]Cc1ccc(OCCn2cc[nH+]c2)c(Cl)c1 ZINC001474253893 1110591727 /nfs/dbraw/zinc/59/17/27/1110591727.db2.gz RURQRMCFXBAWDA-MRXNPFEDSA-N 2 2 347.846 2.479 10 30 EEEELP C=CC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC001501181172 1113230937 /nfs/dbraw/zinc/23/09/37/1113230937.db2.gz CKAHWTVQJRBWSU-BRWVUGGUSA-N 2 2 330.476 2.144 10 30 EEEELP C=C(C)CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)C[C@@H](C)n1cc[nH+]c1)O2 ZINC001502441715 1113685256 /nfs/dbraw/zinc/68/52/56/1113685256.db2.gz XELFEXOKEGZECL-SJORKVTESA-N 2 2 346.475 2.150 10 30 EEEELP N#Cc1ccc(C[NH+]2CCC([NH2+]CCCN3CCCC3=O)CC2)cc1 ZINC000181413149 234177111 /nfs/dbraw/zinc/17/71/11/234177111.db2.gz FATOBIPIEFNXES-UHFFFAOYSA-N 2 2 340.471 2.125 10 30 EEEELP C[C@@H]([NH2+][C@H]1CCCN(Cc2[nH+]ccn2C)C1=O)c1ccc(C#N)cc1 ZINC000543084348 318150192 /nfs/dbraw/zinc/15/01/92/318150192.db2.gz GJGRZIRRZDMAAZ-PBHICJAKSA-N 2 2 337.427 2.134 10 30 EEEELP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C)c1ccc(C#N)cc1F ZINC000358564923 465195678 /nfs/dbraw/zinc/19/56/78/465195678.db2.gz YHRURONZUWASIA-KSSFIOAISA-N 2 2 346.450 2.291 10 30 EEEELP C[C@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(=O)N(C)C)c1ccc(C#N)cc1F ZINC000358564923 465195682 /nfs/dbraw/zinc/19/56/82/465195682.db2.gz YHRURONZUWASIA-KSSFIOAISA-N 2 2 346.450 2.291 10 30 EEEELP Cn1ccnc1C[N@H+](Cc1ccc(C#N)cc1)[C@H]1CC12CC[NH2+]CC2 ZINC000262098229 463945755 /nfs/dbraw/zinc/94/57/55/463945755.db2.gz IFIGIGIXMDWBJL-SFHVURJKSA-N 2 2 335.455 2.436 10 30 EEEELP Cn1ccnc1C[N@@H+](Cc1ccc(C#N)cc1)[C@H]1CC12CC[NH2+]CC2 ZINC000262098229 463945759 /nfs/dbraw/zinc/94/57/59/463945759.db2.gz IFIGIGIXMDWBJL-SFHVURJKSA-N 2 2 335.455 2.436 10 30 EEEELP C[C@H](C(=O)N(C)CCC#N)[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282112063 464701523 /nfs/dbraw/zinc/70/15/23/464701523.db2.gz QBHTYYKFOUYLBI-HZPDHXFCSA-N 2 2 343.475 2.159 10 30 EEEELP C[C@H](C(=O)N(C)CCC#N)[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282112063 464701528 /nfs/dbraw/zinc/70/15/28/464701528.db2.gz QBHTYYKFOUYLBI-HZPDHXFCSA-N 2 2 343.475 2.159 10 30 EEEELP C[NH+]1CCC(CNC(=O)NCC(C)(C)CC#N)([NH+]2CCCCC2)CC1 ZINC000458486069 467844772 /nfs/dbraw/zinc/84/47/72/467844772.db2.gz VHRJJWJOQVDLGS-UHFFFAOYSA-N 2 2 349.523 2.176 10 30 EEEELP C=C(Cl)C[NH2+]CC[C@@H]1[C@@H](C)CCCN1C(=O)Cc1c[nH+]cn1C ZINC001691309742 1177885699 /nfs/dbraw/zinc/88/56/99/1177885699.db2.gz VRBZVMMLWLFLSG-XJKSGUPXSA-N 2 2 338.883 2.322 10 30 EEEELP C=CCC[C@H](C)[NH+]1CC(NC(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001481584556 1181793320 /nfs/dbraw/zinc/79/33/20/1181793320.db2.gz UUZAPXQENXXOAY-AWEZNQCLSA-N 2 2 332.448 2.039 10 30 EEEELP C=CCCCCC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001269583606 1184406730 /nfs/dbraw/zinc/40/67/30/1184406730.db2.gz NFPPXVYKRBSMQV-QYZOEREBSA-N 2 2 349.519 2.129 10 30 EEEELP C=CCCCCC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001269583606 1184406732 /nfs/dbraw/zinc/40/67/32/1184406732.db2.gz NFPPXVYKRBSMQV-QYZOEREBSA-N 2 2 349.519 2.129 10 30 EEEELP C=CCCCCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001269583606 1184406735 /nfs/dbraw/zinc/40/67/35/1184406735.db2.gz NFPPXVYKRBSMQV-QYZOEREBSA-N 2 2 349.519 2.129 10 30 EEEELP C=CCCCCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001269583606 1184406737 /nfs/dbraw/zinc/40/67/37/1184406737.db2.gz NFPPXVYKRBSMQV-QYZOEREBSA-N 2 2 349.519 2.129 10 30 EEEELP CC#CC[NH2+]CC[C@@H]1CCCCN1C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001271535110 1186295599 /nfs/dbraw/zinc/29/55/99/1186295599.db2.gz TXBAPAQEYFMJOX-SFHVURJKSA-N 2 2 342.487 2.146 10 30 EEEELP C=CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC001485825820 1193467232 /nfs/dbraw/zinc/46/72/32/1193467232.db2.gz BYPXXLGIGJRMMR-KRWDZBQOSA-N 2 2 326.444 2.198 10 30 EEEELP C#CCN(C(=O)Cc1[nH]cc[nH+]1)C1CC[NH+]([C@@H](C)CCC=C)CC1 ZINC001483988703 1191144102 /nfs/dbraw/zinc/14/41/02/1191144102.db2.gz KQPAPGZLRYEQKV-INIZCTEOSA-N 2 2 328.460 2.233 10 30 EEEELP CC(C)[N@H+](C)CC(=O)N[C@H]1CCC[NH+](Cc2ccccc2C#N)[C@H]1C ZINC001486185547 1193725860 /nfs/dbraw/zinc/72/58/60/1193725860.db2.gz BQENDMOAVNWNAX-LPHOPBHVSA-N 2 2 342.487 2.368 10 30 EEEELP CC(C)[N@@H+](C)CC(=O)N[C@H]1CCC[NH+](Cc2ccccc2C#N)[C@H]1C ZINC001486185547 1193725864 /nfs/dbraw/zinc/72/58/64/1193725864.db2.gz BQENDMOAVNWNAX-LPHOPBHVSA-N 2 2 342.487 2.368 10 30 EEEELP CC(C)[NH+](C)CC(=O)N[C@H]1CCC[N@H+](Cc2ccccc2C#N)[C@H]1C ZINC001486185547 1193725867 /nfs/dbraw/zinc/72/58/67/1193725867.db2.gz BQENDMOAVNWNAX-LPHOPBHVSA-N 2 2 342.487 2.368 10 30 EEEELP CC(C)[NH+](C)CC(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2C#N)[C@H]1C ZINC001486185547 1193725871 /nfs/dbraw/zinc/72/58/71/1193725871.db2.gz BQENDMOAVNWNAX-LPHOPBHVSA-N 2 2 342.487 2.368 10 30 EEEELP C#CC[NH2+]C1(CNC(=O)CC2CC2)CC[NH+](Cc2ccccc2)CC1 ZINC001486451506 1193966509 /nfs/dbraw/zinc/96/65/09/1193966509.db2.gz QBWNZJCMPSVCIR-UHFFFAOYSA-N 2 2 339.483 2.160 10 30 EEEELP C#CCNC(=O)CC[NH2+][C@@H]1CCCCC[N@H+](Cc2ccccc2)C1 ZINC000872219939 1198094121 /nfs/dbraw/zinc/09/41/21/1198094121.db2.gz HJSOFBRUUCEFDD-LJQANCHMSA-N 2 2 327.472 2.160 10 30 EEEELP C#CCNC(=O)CC[NH2+][C@@H]1CCCCC[N@@H+](Cc2ccccc2)C1 ZINC000872219939 1198094129 /nfs/dbraw/zinc/09/41/29/1198094129.db2.gz HJSOFBRUUCEFDD-LJQANCHMSA-N 2 2 327.472 2.160 10 30 EEEELP C=CCOCC[NH2+]C1(C)CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC001274344633 1205001860 /nfs/dbraw/zinc/00/18/60/1205001860.db2.gz ARSPGPVIQWIKMG-UHFFFAOYSA-N 2 2 348.491 2.100 10 30 EEEELP C#CCCOc1ccc(C[NH+]2CCC([N@@H+]3CC[C@H](O)C3)CC2)cc1 ZINC000827699854 1248655910 /nfs/dbraw/zinc/65/59/10/1248655910.db2.gz MZIHNUWBBUFNTR-IBGZPJMESA-N 2 2 328.456 2.120 10 30 EEEELP C#CCCOc1ccc(C[NH+]2CCC([N@H+]3CC[C@H](O)C3)CC2)cc1 ZINC000827699854 1248655926 /nfs/dbraw/zinc/65/59/26/1248655926.db2.gz MZIHNUWBBUFNTR-IBGZPJMESA-N 2 2 328.456 2.120 10 30 EEEELP C[C@@H](CCC[NH2+]Cc1cc(C#N)ccc1F)NC(=O)Cc1[nH]cc[nH+]1 ZINC001277329849 1302448699 /nfs/dbraw/zinc/44/86/99/1302448699.db2.gz UZINQAGNNNJEAR-ZDUSSCGKSA-N 2 2 343.406 2.038 10 30 EEEELP C[C@H](C(=O)N1CCC([N@H+](CC#N)CC2CC2)CC1)[NH+]1CCCCCC1 ZINC001277393995 1302825077 /nfs/dbraw/zinc/82/50/77/1302825077.db2.gz WLHQPKSPKKPVOX-QGZVFWFLSA-N 2 2 346.519 2.477 10 30 EEEELP C[C@H](C(=O)N1CCC([N@@H+](CC#N)CC2CC2)CC1)[NH+]1CCCCCC1 ZINC001277393995 1302825086 /nfs/dbraw/zinc/82/50/86/1302825086.db2.gz WLHQPKSPKKPVOX-QGZVFWFLSA-N 2 2 346.519 2.477 10 30 EEEELP C#CCC[NH2+]C[C@@H]1CCCCN1C(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC001265686058 1323320097 /nfs/dbraw/zinc/32/00/97/1323320097.db2.gz ISXZYZYMYSUCSD-SFHVURJKSA-N 2 2 338.455 2.179 10 30 EEEELP O=C(Cc1c[nH]c[nH+]1)N[C@H]1CCC[C@@H]([NH2+]CC#Cc2ccccc2)C1 ZINC001266072358 1323627406 /nfs/dbraw/zinc/62/74/06/1323627406.db2.gz VTPHHCSIIMIONL-MSOLQXFVSA-N 2 2 336.439 2.021 10 30 EEEELP C=CCC[NH2+][C@@H]1CCCCCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001316773995 1331886207 /nfs/dbraw/zinc/88/62/07/1331886207.db2.gz SAXIUKXKUFVTTQ-IAGOWNOFSA-N 2 2 330.476 2.382 10 30 EEEELP C=C(C)CC[NH2+][C@@H](C)CCNC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC001317403976 1332215857 /nfs/dbraw/zinc/21/58/57/1332215857.db2.gz JGGHWFVJCAEQDQ-FUHWJXTLSA-N 2 2 337.508 2.080 10 30 EEEELP C=C(C)CC[NH2+][C@@H](C)CCNC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC001317403976 1332215861 /nfs/dbraw/zinc/21/58/61/1332215861.db2.gz JGGHWFVJCAEQDQ-FUHWJXTLSA-N 2 2 337.508 2.080 10 30 EEEELP C=C(C)C[N@H+]1CC[C@H](N(CCC)C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001317761743 1332401013 /nfs/dbraw/zinc/40/10/13/1332401013.db2.gz ORIREONRSUQEJS-WMZOPIPTSA-N 2 2 330.476 2.335 10 30 EEEELP C=C(C)C[N@@H+]1CC[C@H](N(CCC)C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001317761743 1332401015 /nfs/dbraw/zinc/40/10/15/1332401015.db2.gz ORIREONRSUQEJS-WMZOPIPTSA-N 2 2 330.476 2.335 10 30 EEEELP C=CCOCC[N@H+]1CCC[C@H](NC(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001317994692 1332458829 /nfs/dbraw/zinc/45/88/29/1332458829.db2.gz VDHJDYFOOAYPPV-OALUTQOASA-N 2 2 345.487 2.073 10 30 EEEELP C=CCOCC[N@@H+]1CCC[C@H](NC(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001317994692 1332458831 /nfs/dbraw/zinc/45/88/31/1332458831.db2.gz VDHJDYFOOAYPPV-OALUTQOASA-N 2 2 345.487 2.073 10 30 EEEELP C=CCCC[N@@H+]1CC[C@@H](C2CCN(C(=O)Cc3[nH]cc[nH+]3)CC2)C1 ZINC001323637409 1333504298 /nfs/dbraw/zinc/50/42/98/1333504298.db2.gz LPJSVRNJTXVFIP-QGZVFWFLSA-N 2 2 330.476 2.479 10 30 EEEELP C=CCCC[N@H+]1CC[C@@H](C2CCN(C(=O)Cc3[nH]cc[nH+]3)CC2)C1 ZINC001323637409 1333504302 /nfs/dbraw/zinc/50/43/02/1333504302.db2.gz LPJSVRNJTXVFIP-QGZVFWFLSA-N 2 2 330.476 2.479 10 30 EEEELP C#CCC[NH2+]C[C@H](NC(=O)C(C)(C)n1c[nH+]c(C)c1)C1CCCC1 ZINC001324480272 1333691238 /nfs/dbraw/zinc/69/12/38/1333691238.db2.gz AEXMLZMOSBGOHI-KRWDZBQOSA-N 2 2 330.476 2.215 10 30 EEEELP C=CCC[NH2+][C@]1(CO)CCCN(C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001327578243 1334317780 /nfs/dbraw/zinc/31/77/80/1334317780.db2.gz UDZDVSJOQGBMQP-LJQANCHMSA-N 2 2 331.460 2.140 10 30 EEEELP CC#CC[N@@H+]1Cc2ccc(CNC(=O)[C@H](C(C)C)[NH+](C)C)cc2C1 ZINC001327684679 1334333984 /nfs/dbraw/zinc/33/39/84/1334333984.db2.gz FXDRETGWXZZTRB-IBGZPJMESA-N 2 2 327.472 2.228 10 30 EEEELP CC#CC[N@H+]1Cc2ccc(CNC(=O)[C@H](C(C)C)[NH+](C)C)cc2C1 ZINC001327684679 1334333985 /nfs/dbraw/zinc/33/39/85/1334333985.db2.gz FXDRETGWXZZTRB-IBGZPJMESA-N 2 2 327.472 2.228 10 30 EEEELP CC#CC[N@@H+]1C[C@@H](NC(=O)[C@H](CC(C)C)n2cc[nH+]c2)C(C)(C)C1 ZINC001570897345 1343134239 /nfs/dbraw/zinc/13/42/39/1343134239.db2.gz PQDSEJIBDWWALE-DLBZAZTESA-N 2 2 330.476 2.320 10 30 EEEELP CC#CC[N@H+]1C[C@@H](NC(=O)[C@H](CC(C)C)n2cc[nH+]c2)C(C)(C)C1 ZINC001570897345 1343134252 /nfs/dbraw/zinc/13/42/52/1343134252.db2.gz PQDSEJIBDWWALE-DLBZAZTESA-N 2 2 330.476 2.320 10 30 EEEELP C=C(C)C[NH2+]C[C@@H]1CCCCN1C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001661921619 1354723130 /nfs/dbraw/zinc/72/31/30/1354723130.db2.gz GEBYFJRPISGGTI-KRWDZBQOSA-N 2 2 330.476 2.309 10 30 EEEELP C[N@@H+](CC#Cc1ccccc1)CCNC(=O)[C@H]1CC[C@H]2CCCC[NH+]21 ZINC001663208944 1354935185 /nfs/dbraw/zinc/93/51/85/1354935185.db2.gz BXTHQPVJUUTLRC-WOJBJXKFSA-N 2 2 339.483 2.103 10 30 EEEELP C[N@H+](CC#Cc1ccccc1)CCNC(=O)[C@H]1CC[C@H]2CCCC[NH+]21 ZINC001663208944 1354935189 /nfs/dbraw/zinc/93/51/89/1354935189.db2.gz BXTHQPVJUUTLRC-WOJBJXKFSA-N 2 2 339.483 2.103 10 30 EEEELP C[NH+](CC#Cc1ccccc1)CCNC(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001663208944 1354935193 /nfs/dbraw/zinc/93/51/93/1354935193.db2.gz BXTHQPVJUUTLRC-WOJBJXKFSA-N 2 2 339.483 2.103 10 30 EEEELP C[NH+](CC#Cc1ccccc1)CCNC(=O)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC001663208944 1354935198 /nfs/dbraw/zinc/93/51/98/1354935198.db2.gz BXTHQPVJUUTLRC-WOJBJXKFSA-N 2 2 339.483 2.103 10 30 EEEELP CC(C)[N@H+](C)CC(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2CC#Cc1ccccc1 ZINC001664646756 1355203217 /nfs/dbraw/zinc/20/32/17/1355203217.db2.gz CDBFDRIBNXDSBK-BGYRXZFFSA-N 2 2 339.483 2.054 10 30 EEEELP CC(C)[N@@H+](C)CC(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2CC#Cc1ccccc1 ZINC001664646756 1355203222 /nfs/dbraw/zinc/20/32/22/1355203222.db2.gz CDBFDRIBNXDSBK-BGYRXZFFSA-N 2 2 339.483 2.054 10 30 EEEELP CC(C)[NH+](C)CC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC#Cc1ccccc1 ZINC001664646756 1355203226 /nfs/dbraw/zinc/20/32/26/1355203226.db2.gz CDBFDRIBNXDSBK-BGYRXZFFSA-N 2 2 339.483 2.054 10 30 EEEELP CC(C)[NH+](C)CC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC#Cc1ccccc1 ZINC001664646756 1355203231 /nfs/dbraw/zinc/20/32/31/1355203231.db2.gz CDBFDRIBNXDSBK-BGYRXZFFSA-N 2 2 339.483 2.054 10 30 EEEELP C=CCC[NH2+]CC[C@H]1CCCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001666120055 1355457247 /nfs/dbraw/zinc/45/72/47/1355457247.db2.gz MIDXREKTZPLTKJ-SJORKVTESA-N 2 2 330.476 2.240 10 30 EEEELP CC(C)[C@H](CNC(=O)CCn1cc[nH+]c1)[NH2+]CC#Cc1ccccc1 ZINC001667484408 1355749082 /nfs/dbraw/zinc/74/90/82/1355749082.db2.gz ZBWGIVCVZPMMIX-IBGZPJMESA-N 2 2 338.455 2.055 10 30 EEEELP C=CCC[C@@H](C)[N@H+]1C[C@H]2CN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C[C@H]2C1 ZINC001672442429 1356524178 /nfs/dbraw/zinc/52/41/78/1356524178.db2.gz HFNAOTVBUIVBFE-OAGGEKHMSA-N 2 2 330.476 2.432 10 30 EEEELP C=CCC[C@@H](C)[N@@H+]1C[C@H]2CN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C[C@H]2C1 ZINC001672442429 1356524183 /nfs/dbraw/zinc/52/41/83/1356524183.db2.gz HFNAOTVBUIVBFE-OAGGEKHMSA-N 2 2 330.476 2.432 10 30 EEEELP C#CCC[NH2+][C@H](CCN(C)C(=O)C(C)(C)n1c[nH+]c(C)c1)C(C)C ZINC001675130406 1356936681 /nfs/dbraw/zinc/93/66/81/1356936681.db2.gz YXYGHHCCEUVJEC-QGZVFWFLSA-N 2 2 332.492 2.413 10 30 EEEELP C=CCCC[NH2+][C@@H](C)[C@H]1CN(C(=O)c2cccc3[nH+]ccn32)CCO1 ZINC001675604155 1357013156 /nfs/dbraw/zinc/01/31/56/1357013156.db2.gz BOSRJLZQOBEVGR-DOTOQJQBSA-N 2 2 342.443 2.120 10 30 EEEELP C=C1CCC(CNC(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000918907208 769468041 /nfs/dbraw/zinc/46/80/41/769468041.db2.gz WLQNVIYXIUCYIW-KRWDZBQOSA-N 2 2 334.508 2.201 10 30 EEEELP C=C1CCC(CNC(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000918907208 769468046 /nfs/dbraw/zinc/46/80/46/769468046.db2.gz WLQNVIYXIUCYIW-KRWDZBQOSA-N 2 2 334.508 2.201 10 30 EEEELP C=CCOCC[NH2+][C@H]1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)[C@@H]1C ZINC001507278357 1115170799 /nfs/dbraw/zinc/17/07/99/1115170799.db2.gz NONVXLMREGZDGR-WBVHZDCISA-N 2 2 342.443 2.038 10 30 EEEELP C=C(C)CC[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC001568295363 1124410036 /nfs/dbraw/zinc/41/00/36/1124410036.db2.gz SUSQDVRBLVFZLZ-WMZOPIPTSA-N 2 2 337.508 2.033 10 30 EEEELP C=C(C)CC[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC001568295363 1124410040 /nfs/dbraw/zinc/41/00/40/1124410040.db2.gz SUSQDVRBLVFZLZ-WMZOPIPTSA-N 2 2 337.508 2.033 10 30 EEEELP C#CCC[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001569163798 1125138097 /nfs/dbraw/zinc/13/80/97/1125138097.db2.gz FOBLSEIRZCDIJD-FUHWJXTLSA-N 2 2 342.487 2.050 10 30 EEEELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CC(=O)NC2(C#N)CCCCC2)C1 ZINC000105896651 529760502 /nfs/dbraw/zinc/76/05/02/529760502.db2.gz NWNKJBXDSKDKJU-MRXNPFEDSA-N 2 2 343.475 2.425 10 30 EEEELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CC(=O)NC2(C#N)CCCCC2)C1 ZINC000105896651 529760503 /nfs/dbraw/zinc/76/05/03/529760503.db2.gz NWNKJBXDSKDKJU-MRXNPFEDSA-N 2 2 343.475 2.425 10 30 EEEELP COc1ccc(C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)cn1 ZINC000329548046 539776724 /nfs/dbraw/zinc/77/67/24/539776724.db2.gz HOTFINPQYREJMZ-UHFFFAOYSA-N 2 2 346.475 2.345 10 30 EEEELP Cn1c[nH+]cc1[C@@H]1C[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)CCO1 ZINC000328642828 465086832 /nfs/dbraw/zinc/08/68/32/465086832.db2.gz YNKSJCRFXNUTOV-BBRMVZONSA-N 2 2 325.372 2.293 10 30 EEEELP C[NH+](C)C1CC[NH+](C(C)(C)CNC(=O)Nc2ccc(C#N)cc2)CC1 ZINC000069033441 463199760 /nfs/dbraw/zinc/19/97/60/463199760.db2.gz QZYSAUJWTHYLGE-UHFFFAOYSA-N 2 2 343.475 2.484 10 30 EEEELP C=CCNC(=O)C[NH+]1CCN(c2cc[nH+]c3ccc(CC)cc32)CC1 ZINC000450236079 467805548 /nfs/dbraw/zinc/80/55/48/467805548.db2.gz YLBOXJFYGPGOCG-UHFFFAOYSA-N 2 2 338.455 2.221 10 30 EEEELP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2c(C#N)cccc2[N+](=O)[O-])C1 ZINC000459346893 467955670 /nfs/dbraw/zinc/95/56/70/467955670.db2.gz CGZPSEMODUCHSF-MRXNPFEDSA-N 2 2 346.431 2.399 10 30 EEEELP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2c(C#N)cccc2[N+](=O)[O-])C1 ZINC000459346893 467955672 /nfs/dbraw/zinc/95/56/72/467955672.db2.gz CGZPSEMODUCHSF-MRXNPFEDSA-N 2 2 346.431 2.399 10 30 EEEELP N#CC1(C[C@H](O)C[NH2+]C[C@H]2CC[N@@H+]2C2CCCCC2)CCOCC1 ZINC000600751663 468647787 /nfs/dbraw/zinc/64/77/87/468647787.db2.gz SAJSAXJIUKMMRJ-MSOLQXFVSA-N 2 2 335.492 2.054 10 30 EEEELP N#CC1(C[C@H](O)C[NH2+]C[C@H]2CC[N@H+]2C2CCCCC2)CCOCC1 ZINC000600751663 468647790 /nfs/dbraw/zinc/64/77/90/468647790.db2.gz SAJSAXJIUKMMRJ-MSOLQXFVSA-N 2 2 335.492 2.054 10 30 EEEELP N#CC1(C[C@@H](O)C[NH2+]C[C@@H]2CC[N@@H+]2C2CCCCC2)CCOCC1 ZINC000600751666 468647976 /nfs/dbraw/zinc/64/79/76/468647976.db2.gz SAJSAXJIUKMMRJ-ZWKOTPCHSA-N 2 2 335.492 2.054 10 30 EEEELP N#CC1(C[C@@H](O)C[NH2+]C[C@@H]2CC[N@H+]2C2CCCCC2)CCOCC1 ZINC000600751666 468647982 /nfs/dbraw/zinc/64/79/82/468647982.db2.gz SAJSAXJIUKMMRJ-ZWKOTPCHSA-N 2 2 335.492 2.054 10 30 EEEELP C=CC[C@@]1(C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)CCC[NH2+]1 ZINC000662672608 472198983 /nfs/dbraw/zinc/19/89/83/472198983.db2.gz CPOOQSLKADLMKR-IBGZPJMESA-N 2 2 328.460 2.386 10 30 EEEELP C#CCOc1ccccc1C[NH+]1CCC([N@H+]2CCO[C@@H](C)C2)CC1 ZINC000092079587 527125942 /nfs/dbraw/zinc/12/59/42/527125942.db2.gz RXEZODCDLJBATB-KRWDZBQOSA-N 2 2 328.456 2.384 10 30 EEEELP C#CCOc1ccccc1C[NH+]1CCC([N@@H+]2CCO[C@@H](C)C2)CC1 ZINC000092079587 527125946 /nfs/dbraw/zinc/12/59/46/527125946.db2.gz RXEZODCDLJBATB-KRWDZBQOSA-N 2 2 328.456 2.384 10 30 EEEELP C#CC[NH+]1CCN(C(=O)C[NH2+][C@@H](c2ccc(Cl)cc2)C2CC2)CC1 ZINC000748816236 577967358 /nfs/dbraw/zinc/96/73/58/577967358.db2.gz QPXHCNCPUFDXMW-LJQANCHMSA-N 2 2 345.874 2.158 10 30 EEEELP C#CC[NH+]1CCC(NC(=O)[C@H](c2ccc(Cl)cc2)[NH+](C)C)CC1 ZINC000928648557 686019437 /nfs/dbraw/zinc/01/94/37/686019437.db2.gz MWWOURMJYMMMQT-KRWDZBQOSA-N 2 2 333.863 2.157 10 30 EEEELP C=CCCC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC001485692365 1191901652 /nfs/dbraw/zinc/90/16/52/1191901652.db2.gz FZAHZHOZMZQHFG-LNLFQRSKSA-N 2 2 349.519 2.080 10 30 EEEELP C=CCCC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2COCC[N@H+]2C2CCCC2)C1 ZINC001485692365 1191901654 /nfs/dbraw/zinc/90/16/54/1191901654.db2.gz FZAHZHOZMZQHFG-LNLFQRSKSA-N 2 2 349.519 2.080 10 30 EEEELP C=C(C)CC[NH2+]C1CCC(NC(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC001266912118 1177784238 /nfs/dbraw/zinc/78/42/38/1177784238.db2.gz ULIRGDVNCXZSCY-GTPINHCMSA-N 2 2 330.476 2.429 10 30 EEEELP CC#CC[NH2+]CCc1ccc(CNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)cc1 ZINC001267098569 1178235148 /nfs/dbraw/zinc/23/51/48/1178235148.db2.gz SXTGWUNHAAIDRE-INIZCTEOSA-N 2 2 338.455 2.060 10 30 EEEELP CC#CC[NH2+]CCc1ccc(CNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)cc1 ZINC001267098569 1178235155 /nfs/dbraw/zinc/23/51/55/1178235155.db2.gz SXTGWUNHAAIDRE-INIZCTEOSA-N 2 2 338.455 2.060 10 30 EEEELP C=CCC[NH2+]CC[C@H]1CCCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001267887399 1180691428 /nfs/dbraw/zinc/69/14/28/1180691428.db2.gz JGKCOHVCWOZSHM-SJORKVTESA-N 2 2 330.476 2.240 10 30 EEEELP C=C(C)CC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC001267926929 1180775512 /nfs/dbraw/zinc/77/55/12/1180775512.db2.gz ZDNNOWLSDFSJBG-ULQDDVLXSA-N 2 2 330.476 2.429 10 30 EEEELP C=CCCC[N@@H+](C)C[C@H]1CCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001481491260 1181556093 /nfs/dbraw/zinc/55/60/93/1181556093.db2.gz MJBVUHBINDLSSW-SJORKVTESA-N 2 2 330.476 2.192 10 30 EEEELP C=CCCC[N@H+](C)C[C@H]1CCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001481491260 1181556098 /nfs/dbraw/zinc/55/60/98/1181556098.db2.gz MJBVUHBINDLSSW-SJORKVTESA-N 2 2 330.476 2.192 10 30 EEEELP C=CC[NH2+]C[C@@H](NC(=O)[C@@H]1CCc2c[nH+]cn2C1)C1CCCCC1 ZINC001268121165 1181767513 /nfs/dbraw/zinc/76/75/13/1181767513.db2.gz ZFBWXTKJFCEPCV-SJLPKXTDSA-N 2 2 330.476 2.286 10 30 EEEELP C=CCC[NH2+][C@@H](C)[C@H]1CCCN(C(=O)Cc2c[nH+]ccc2OC)C1 ZINC001268171474 1181942729 /nfs/dbraw/zinc/94/27/29/1181942729.db2.gz OCZZZZZQWPVNHJ-HOTGVXAUSA-N 2 2 331.460 2.426 10 30 EEEELP N#CC[N@H+](CC1CC1)C1CCN(C(=O)CCC[NH+]2CCCC2)CC1 ZINC001269633056 1184457652 /nfs/dbraw/zinc/45/76/52/1184457652.db2.gz TVVMRCFBIJKEFN-UHFFFAOYSA-N 2 2 332.492 2.089 10 30 EEEELP N#CC[N@@H+](CC1CC1)C1CCN(C(=O)CCC[NH+]2CCCC2)CC1 ZINC001269633056 1184457655 /nfs/dbraw/zinc/45/76/55/1184457655.db2.gz TVVMRCFBIJKEFN-UHFFFAOYSA-N 2 2 332.492 2.089 10 30 EEEELP CC#CC[NH+]1CCC(C)(CNC(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC001270885946 1185656518 /nfs/dbraw/zinc/65/65/18/1185656518.db2.gz SIQDHOQYVMJYAD-UHFFFAOYSA-N 2 2 330.476 2.168 10 30 EEEELP C#CC[NH2+]CC[C@H]1CCCCN1C(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001271543336 1186302524 /nfs/dbraw/zinc/30/25/24/1186302524.db2.gz HCAIZWKLGIQDRO-MSOLQXFVSA-N 2 2 330.476 2.464 10 30 EEEELP C=CCCC[NH+](C)[C@@H](C)CNC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1 ZINC001485308366 1191727582 /nfs/dbraw/zinc/72/75/82/1191727582.db2.gz VCHNTJZZUCHQNZ-WMLDXEAASA-N 2 2 333.480 2.193 10 30 EEEELP C=CCCC[NH+](C)[C@@H](C)CNC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1 ZINC001485308366 1191727583 /nfs/dbraw/zinc/72/75/83/1191727583.db2.gz VCHNTJZZUCHQNZ-WMLDXEAASA-N 2 2 333.480 2.193 10 30 EEEELP C=CCCC[N@@H+](C)[C@@H](C)CNC(=O)c1cc([C@H]2CCC[NH+]2C)n[nH]1 ZINC001485308366 1191727584 /nfs/dbraw/zinc/72/75/84/1191727584.db2.gz VCHNTJZZUCHQNZ-WMLDXEAASA-N 2 2 333.480 2.193 10 30 EEEELP C=CCCC[N@H+](C)[C@@H](C)CNC(=O)c1cc([C@H]2CCC[NH+]2C)n[nH]1 ZINC001485308366 1191727585 /nfs/dbraw/zinc/72/75/85/1191727585.db2.gz VCHNTJZZUCHQNZ-WMLDXEAASA-N 2 2 333.480 2.193 10 30 EEEELP C=C(C)CC[NH+](C)[C@H](C)CNC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC001485342303 1191746809 /nfs/dbraw/zinc/74/68/09/1191746809.db2.gz QOWOXPHSLJOONW-SJLPKXTDSA-N 2 2 337.508 2.033 10 30 EEEELP C=C(C)CC[NH+](C)[C@H](C)CNC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC001485342303 1191746810 /nfs/dbraw/zinc/74/68/10/1191746810.db2.gz QOWOXPHSLJOONW-SJLPKXTDSA-N 2 2 337.508 2.033 10 30 EEEELP C=C(C)CC[N@@H+](C)[C@H](C)CNC(=O)[C@H]1COCC[NH+]1C1CCCC1 ZINC001485342303 1191746811 /nfs/dbraw/zinc/74/68/11/1191746811.db2.gz QOWOXPHSLJOONW-SJLPKXTDSA-N 2 2 337.508 2.033 10 30 EEEELP C=C(C)CC[N@H+](C)[C@H](C)CNC(=O)[C@H]1COCC[NH+]1C1CCCC1 ZINC001485342303 1191746812 /nfs/dbraw/zinc/74/68/12/1191746812.db2.gz QOWOXPHSLJOONW-SJLPKXTDSA-N 2 2 337.508 2.033 10 30 EEEELP C=CCOCC[N@H+]1CCC[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC001273426746 1198801968 /nfs/dbraw/zinc/80/19/68/1198801968.db2.gz DXEUMQZTRZDDEX-KRWDZBQOSA-N 2 2 348.491 2.100 10 30 EEEELP C=CCOCC[N@@H+]1CCC[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC001273426746 1198801969 /nfs/dbraw/zinc/80/19/69/1198801969.db2.gz DXEUMQZTRZDDEX-KRWDZBQOSA-N 2 2 348.491 2.100 10 30 EEEELP C#CC[N@H+]1Cc2ccc(CNC(=O)C[NH+]3[C@H](C)CC[C@H]3C)cc2C1 ZINC001274044985 1204344021 /nfs/dbraw/zinc/34/40/21/1204344021.db2.gz CQWZSOOSKTXHQQ-HZPDHXFCSA-N 2 2 325.456 2.124 10 30 EEEELP C#CC[N@@H+]1Cc2ccc(CNC(=O)C[NH+]3[C@H](C)CC[C@H]3C)cc2C1 ZINC001274044985 1204344024 /nfs/dbraw/zinc/34/40/24/1204344024.db2.gz CQWZSOOSKTXHQQ-HZPDHXFCSA-N 2 2 325.456 2.124 10 30 EEEELP C#CCCOc1ccc(C[NH+]2CCC([N@@H+]3CC[C@@H](O)C3)CC2)cc1 ZINC000827699855 1248655393 /nfs/dbraw/zinc/65/53/93/1248655393.db2.gz MZIHNUWBBUFNTR-LJQANCHMSA-N 2 2 328.456 2.120 10 30 EEEELP C#CCCOc1ccc(C[NH+]2CCC([N@H+]3CC[C@@H](O)C3)CC2)cc1 ZINC000827699855 1248655407 /nfs/dbraw/zinc/65/54/07/1248655407.db2.gz MZIHNUWBBUFNTR-LJQANCHMSA-N 2 2 328.456 2.120 10 30 EEEELP C=CCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)CCc1c[nH+]cn1C ZINC001277324541 1302411583 /nfs/dbraw/zinc/41/15/83/1302411583.db2.gz QAGYOMKDTBLSTG-ALOPSCKCSA-N 2 2 330.476 2.431 10 30 EEEELP C=C(C)Cn1c([C@H]2CCC[NH+]2C)nnc1N1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1 ZINC001122441436 1310286954 /nfs/dbraw/zinc/28/69/54/1310286954.db2.gz RVUHRUFCEKDBML-MDZRGWNJSA-N 2 2 344.507 2.009 10 30 EEEELP C=C(C)Cn1c([C@H]2CCC[NH+]2C)nnc1N1C[C@H]2C[N@H+](C)C[C@@]2(C)C1 ZINC001122441436 1310286956 /nfs/dbraw/zinc/28/69/56/1310286956.db2.gz RVUHRUFCEKDBML-MDZRGWNJSA-N 2 2 344.507 2.009 10 30 EEEELP C=C(C)Cn1c([C@H]2CCC[N@@H+]2C)nnc1N1C[C@H]2C[NH+](C)C[C@@]2(C)C1 ZINC001122441436 1310286963 /nfs/dbraw/zinc/28/69/63/1310286963.db2.gz RVUHRUFCEKDBML-MDZRGWNJSA-N 2 2 344.507 2.009 10 30 EEEELP C=C(C)Cn1c([C@H]2CCC[N@H+]2C)nnc1N1C[C@H]2C[NH+](C)C[C@@]2(C)C1 ZINC001122441436 1310286966 /nfs/dbraw/zinc/28/69/66/1310286966.db2.gz RVUHRUFCEKDBML-MDZRGWNJSA-N 2 2 344.507 2.009 10 30 EEEELP C=CCC[N@@H+]1CCC[C@H]1CCCNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001266223440 1323796964 /nfs/dbraw/zinc/79/69/64/1323796964.db2.gz QHZJVQSBMUNHMZ-IAGOWNOFSA-N 2 2 330.476 2.382 10 30 EEEELP C=CCC[N@H+]1CCC[C@H]1CCCNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001266223440 1323796967 /nfs/dbraw/zinc/79/69/67/1323796967.db2.gz QHZJVQSBMUNHMZ-IAGOWNOFSA-N 2 2 330.476 2.382 10 30 EEEELP C=CCCC[N@H+]1CCOC[C@H]1CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001280405619 1324203562 /nfs/dbraw/zinc/20/35/62/1324203562.db2.gz CCMBIKCQZJSQAB-QGZVFWFLSA-N 2 2 337.508 2.034 10 30 EEEELP C=CCCC[N@@H+]1CCOC[C@H]1CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001280405619 1324203565 /nfs/dbraw/zinc/20/35/65/1324203565.db2.gz CCMBIKCQZJSQAB-QGZVFWFLSA-N 2 2 337.508 2.034 10 30 EEEELP CC#CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)C(C)(C)n3c[nH+]c(C)c3)C[C@@H]21 ZINC001284086982 1326400158 /nfs/dbraw/zinc/40/01/58/1326400158.db2.gz MSUXCNLQKNKKFU-OKZBNKHCSA-N 2 2 342.487 2.167 10 30 EEEELP C[C@H](CCNC(=O)[C@H](C)Cc1c[nH]c[nH+]1)[NH2+]Cc1ccc(C#N)cc1 ZINC001492096559 1330464772 /nfs/dbraw/zinc/46/47/72/1330464772.db2.gz JOEIQESVEBLJAS-HUUCEWRRSA-N 2 2 339.443 2.145 10 30 EEEELP C[C@H](CCNC(=O)[C@H](C)Cc1c[nH+]c[nH]1)[NH2+]Cc1ccc(C#N)cc1 ZINC001492096559 1330464776 /nfs/dbraw/zinc/46/47/76/1330464776.db2.gz JOEIQESVEBLJAS-HUUCEWRRSA-N 2 2 339.443 2.145 10 30 EEEELP C=C(C)CC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001317376706 1332204037 /nfs/dbraw/zinc/20/40/37/1332204037.db2.gz QYHZOSYETOMYHY-IAGOWNOFSA-N 2 2 330.476 2.335 10 30 EEEELP C=C(C)CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001317376706 1332204040 /nfs/dbraw/zinc/20/40/40/1332204040.db2.gz QYHZOSYETOMYHY-IAGOWNOFSA-N 2 2 330.476 2.335 10 30 EEEELP C=CCCC[N@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001318482278 1332548329 /nfs/dbraw/zinc/54/83/29/1332548329.db2.gz GQCVEIXMKBBALS-BRWVUGGUSA-N 2 2 330.476 2.413 10 30 EEEELP C=CCCC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001318482278 1332548332 /nfs/dbraw/zinc/54/83/32/1332548332.db2.gz GQCVEIXMKBBALS-BRWVUGGUSA-N 2 2 330.476 2.413 10 30 EEEELP C#CC[N@H+]1CC[C@]2(CCN(C(=O)[C@H](CC(C)C)n3cc[nH+]c3)C2)C1 ZINC001323856904 1333558531 /nfs/dbraw/zinc/55/85/31/1333558531.db2.gz DRUYIPNTKUYMQI-HKUYNNGSSA-N 2 2 328.460 2.028 10 30 EEEELP C#CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@H](CC(C)C)n3cc[nH+]c3)C2)C1 ZINC001323856904 1333558533 /nfs/dbraw/zinc/55/85/33/1333558533.db2.gz DRUYIPNTKUYMQI-HKUYNNGSSA-N 2 2 328.460 2.028 10 30 EEEELP CC#CC[NH2+][C@@H]1CN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)CC1(C)C ZINC001332388937 1335815827 /nfs/dbraw/zinc/81/58/27/1335815827.db2.gz SPHPYGOTZTVOGO-DLBZAZTESA-N 2 2 330.476 2.320 10 30 EEEELP C=C(C)CC[NH2+][C@H](CNC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1)C1CC1 ZINC001566712044 1342610987 /nfs/dbraw/zinc/61/09/87/1342610987.db2.gz AEMAOBAGYLGGJB-MSOLQXFVSA-N 2 2 345.491 2.241 10 30 EEEELP C=C(C)CC[NH2+][C@H](CNC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1)C1CC1 ZINC001566712044 1342610991 /nfs/dbraw/zinc/61/09/91/1342610991.db2.gz AEMAOBAGYLGGJB-MSOLQXFVSA-N 2 2 345.491 2.241 10 30 EEEELP C=C(C)CC[NH2+]C[C@H]1CCCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001566896640 1342648268 /nfs/dbraw/zinc/64/82/68/1342648268.db2.gz HVOGSAHZZCJIIF-SJORKVTESA-N 2 2 330.476 2.240 10 30 EEEELP CCN(CC[NH2+]Cc1ccc(C#N)cc1)C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001568783423 1342854718 /nfs/dbraw/zinc/85/47/18/1342854718.db2.gz UKAQEVKYNKSKCI-HNNXBMFYSA-N 2 2 339.443 2.098 10 30 EEEELP CCN(CC[NH2+]Cc1ccc(C#N)cc1)C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001568783423 1342854724 /nfs/dbraw/zinc/85/47/24/1342854724.db2.gz UKAQEVKYNKSKCI-HNNXBMFYSA-N 2 2 339.443 2.098 10 30 EEEELP CC#CC[NH2+][C@@H]1CC[C@H](CNC(=O)Cc2cn3cccc(C)c3[nH+]2)C1 ZINC001656356079 1354225207 /nfs/dbraw/zinc/22/52/07/1354225207.db2.gz MECAGCVEYHEVKT-DLBZAZTESA-N 2 2 338.455 2.083 10 30 EEEELP CC#CC[NH2+]CCCCCCN(C)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001656681584 1354264235 /nfs/dbraw/zinc/26/42/35/1354264235.db2.gz GNPNUWLNUMYKDQ-QGZVFWFLSA-N 2 2 330.476 2.077 10 30 EEEELP C=CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001673634619 1356721505 /nfs/dbraw/zinc/72/15/05/1356721505.db2.gz SRZMVGXFLAZNLF-SFHVURJKSA-N 2 2 327.472 2.200 10 30 EEEELP C=CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001673634619 1356721509 /nfs/dbraw/zinc/72/15/09/1356721509.db2.gz SRZMVGXFLAZNLF-SFHVURJKSA-N 2 2 327.472 2.200 10 30 EEEELP C[C@H](CNC(=O)C[NH+]1CCC(C)CC1)[N@H+](C)CC#Cc1ccccc1 ZINC001675019440 1356925878 /nfs/dbraw/zinc/92/58/78/1356925878.db2.gz DIWKWYGGPSWQMG-LJQANCHMSA-N 2 2 341.499 2.207 10 30 EEEELP C[C@H](CNC(=O)C[NH+]1CCC(C)CC1)[N@@H+](C)CC#Cc1ccccc1 ZINC001675019440 1356925881 /nfs/dbraw/zinc/92/58/81/1356925881.db2.gz DIWKWYGGPSWQMG-LJQANCHMSA-N 2 2 341.499 2.207 10 30 EEEELP C=C(Cl)C[NH2+]C[C@@H](NC(=O)[C@H]1CCc2[nH+]ccn2C1)C(C)(C)C ZINC001449287117 1094237060 /nfs/dbraw/zinc/23/70/60/1094237060.db2.gz DGSMAQFHSWVZMT-UONOGXRCSA-N 2 2 338.883 2.319 10 30 EEEELP CC(C)[C@@H](C(=O)N[C@@H]1CCC[N@H+](CC#Cc2ccccc2)C1)[NH+](C)C ZINC001479905629 1099292286 /nfs/dbraw/zinc/29/22/86/1099292286.db2.gz RDOOGFRSYZLUSC-UXHICEINSA-N 2 2 341.499 2.205 10 30 EEEELP CC(C)[C@@H](C(=O)N[C@@H]1CCC[N@@H+](CC#Cc2ccccc2)C1)[NH+](C)C ZINC001479905629 1099292292 /nfs/dbraw/zinc/29/22/92/1099292292.db2.gz RDOOGFRSYZLUSC-UXHICEINSA-N 2 2 341.499 2.205 10 30 EEEELP CC[C@@H](C(=O)N1CCC([N@H+](CC#N)CC2CC2)CC1)[NH+](CC)CC ZINC001499530999 1112346386 /nfs/dbraw/zinc/34/63/86/1112346386.db2.gz PJRFVKVGZBFDQG-SFHVURJKSA-N 2 2 334.508 2.333 10 30 EEEELP CC[C@@H](C(=O)N1CCC([N@@H+](CC#N)CC2CC2)CC1)[NH+](CC)CC ZINC001499530999 1112346391 /nfs/dbraw/zinc/34/63/91/1112346391.db2.gz PJRFVKVGZBFDQG-SFHVURJKSA-N 2 2 334.508 2.333 10 30 EEEELP C=CCCC[N@@H+]1CCO[C@@]2(CCN(C(=O)C[C@H](C)n3cc[nH+]c3)C2)C1 ZINC001506726910 1114836899 /nfs/dbraw/zinc/83/68/99/1114836899.db2.gz FLLUGBZRERVTIN-HKUYNNGSSA-N 2 2 346.475 2.104 10 30 EEEELP C=CCCC[N@H+]1CCO[C@@]2(CCN(C(=O)C[C@H](C)n3cc[nH+]c3)C2)C1 ZINC001506726910 1114836900 /nfs/dbraw/zinc/83/69/00/1114836900.db2.gz FLLUGBZRERVTIN-HKUYNNGSSA-N 2 2 346.475 2.104 10 30 EEEELP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[N@@H+](CCCCCC)CC1(C)C ZINC001506741898 1114852689 /nfs/dbraw/zinc/85/26/89/1114852689.db2.gz LXKSRWOAZNWFSD-ROUUACIJSA-N 2 2 333.520 2.491 10 30 EEEELP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[N@H+](CCCCCC)CC1(C)C ZINC001506741898 1114852693 /nfs/dbraw/zinc/85/26/93/1114852693.db2.gz LXKSRWOAZNWFSD-ROUUACIJSA-N 2 2 333.520 2.491 10 30 EEEELP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[NH+](CCCCCC)CC1(C)C ZINC001506741898 1114852697 /nfs/dbraw/zinc/85/26/97/1114852697.db2.gz LXKSRWOAZNWFSD-ROUUACIJSA-N 2 2 333.520 2.491 10 30 EEEELP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[NH+](CCCCCC)CC1(C)C ZINC001506741898 1114852698 /nfs/dbraw/zinc/85/26/98/1114852698.db2.gz LXKSRWOAZNWFSD-ROUUACIJSA-N 2 2 333.520 2.491 10 30 EEEELP C=C(Cl)C[NH+]1C[C@@H](NC(=O)CC[C@H]2CCC[N@H+]2C)C(C)(C)C1 ZINC001506742656 1114854082 /nfs/dbraw/zinc/85/40/82/1114854082.db2.gz REBPPUMERKKUTA-HUUCEWRRSA-N 2 2 327.900 2.440 10 30 EEEELP C=C(Cl)C[NH+]1C[C@@H](NC(=O)CC[C@H]2CCC[N@@H+]2C)C(C)(C)C1 ZINC001506742656 1114854084 /nfs/dbraw/zinc/85/40/84/1114854084.db2.gz REBPPUMERKKUTA-HUUCEWRRSA-N 2 2 327.900 2.440 10 30 EEEELP C=C(Cl)C[N@H+]1C[C@@H](NC(=O)CC[C@H]2CCC[NH+]2C)C(C)(C)C1 ZINC001506742656 1114854086 /nfs/dbraw/zinc/85/40/86/1114854086.db2.gz REBPPUMERKKUTA-HUUCEWRRSA-N 2 2 327.900 2.440 10 30 EEEELP C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)CC[C@H]2CCC[NH+]2C)C(C)(C)C1 ZINC001506742656 1114854087 /nfs/dbraw/zinc/85/40/87/1114854087.db2.gz REBPPUMERKKUTA-HUUCEWRRSA-N 2 2 327.900 2.440 10 30 EEEELP C=CCCC[NH2+][C@H]1CN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1(C)C ZINC001507440487 1115270312 /nfs/dbraw/zinc/27/03/12/1115270312.db2.gz RWETXKHUJNGUOB-WBVHZDCISA-N 2 2 330.476 2.238 10 30 EEEELP C[C@@H](C[NH2+]CC#Cc1ccccc1Cl)N(C)C(=O)Cn1cc[nH+]c1 ZINC001568322125 1124419753 /nfs/dbraw/zinc/41/97/53/1124419753.db2.gz IZOSASXKHCVULM-HNNXBMFYSA-N 2 2 344.846 2.025 10 30 EEEELP C=CCOc1ccc(C[NH+]2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)cc1 ZINC000678256623 539985395 /nfs/dbraw/zinc/98/53/95/539985395.db2.gz JQRNFDVGSOWJBT-LJQANCHMSA-N 2 2 329.488 2.463 10 30 EEEELP C=CCOc1ccc(C[NH+]2CCN([C@@H]3CCC[N@H+](C)C3)CC2)cc1 ZINC000678256623 539985398 /nfs/dbraw/zinc/98/53/98/539985398.db2.gz JQRNFDVGSOWJBT-LJQANCHMSA-N 2 2 329.488 2.463 10 30 EEEELP Cc1cn2c([nH+]1)[C@H](CNC(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@@H]1C)CCC2 ZINC000328727737 465110522 /nfs/dbraw/zinc/11/05/22/465110522.db2.gz VHLBCRWZKNJCJA-CWRNSKLLSA-N 2 2 333.480 2.255 10 30 EEEELP Cc1cn2c([nH+]1)[C@H](CNC(=O)N(C)[C@@H]1CC[N@H+](C)C[C@@H]1C)CCC2 ZINC000328727737 465110530 /nfs/dbraw/zinc/11/05/30/465110530.db2.gz VHLBCRWZKNJCJA-CWRNSKLLSA-N 2 2 333.480 2.255 10 30 EEEELP C=C(C)CN(CC)C(=O)C[N@@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195278503 464030047 /nfs/dbraw/zinc/03/00/47/464030047.db2.gz QLQFOHIAWDRFQF-IBGZPJMESA-N 2 2 344.503 2.260 10 30 EEEELP C=C(C)CN(CC)C(=O)C[N@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195278503 464030054 /nfs/dbraw/zinc/03/00/54/464030054.db2.gz QLQFOHIAWDRFQF-IBGZPJMESA-N 2 2 344.503 2.260 10 30 EEEELP C=C(C)CN(CC)C(=O)C[NH+]1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000195278503 464030059 /nfs/dbraw/zinc/03/00/59/464030059.db2.gz QLQFOHIAWDRFQF-IBGZPJMESA-N 2 2 344.503 2.260 10 30 EEEELP C=C(C)CN(CC)C(=O)C[NH+]1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000195278503 464030066 /nfs/dbraw/zinc/03/00/66/464030066.db2.gz QLQFOHIAWDRFQF-IBGZPJMESA-N 2 2 344.503 2.260 10 30 EEEELP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)c3cscc3C#N)CC2)CC1 ZINC000422028525 466665876 /nfs/dbraw/zinc/66/58/76/466665876.db2.gz XZFWJPVQWOREJP-UHFFFAOYSA-N 2 2 346.500 2.252 10 30 EEEELP CC[NH+]1CCC([N@H+]2CCCN(C(=O)c3cscc3C#N)CC2)CC1 ZINC000422028525 466665878 /nfs/dbraw/zinc/66/58/78/466665878.db2.gz XZFWJPVQWOREJP-UHFFFAOYSA-N 2 2 346.500 2.252 10 30 EEEELP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+]C[C@H](O)CC2(C#N)CC2)CC1 ZINC000600729740 468640035 /nfs/dbraw/zinc/64/00/35/468640035.db2.gz XMVKZUDCWRRNOU-MAUKXSAKSA-N 2 2 328.460 2.251 10 30 EEEELP C=CC[NH+](CC=C)[C@H](CNC(=O)N[C@@H](C)c1[nH+]ccn1C)C(C)C ZINC000662101052 471986870 /nfs/dbraw/zinc/98/68/70/471986870.db2.gz QSSICWCCJJMYGN-JKSUJKDBSA-N 2 2 333.480 2.479 10 30 EEEELP Cc1nnc(-c2cccc(C#N)c2)n1C[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000755795900 577831792 /nfs/dbraw/zinc/83/17/92/577831792.db2.gz XLAHVCCBPMFDKP-KRWDZBQOSA-N 2 2 347.426 2.306 10 30 EEEELP Cc1nnc(-c2cccc(C#N)c2)n1C[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000755795900 577831793 /nfs/dbraw/zinc/83/17/93/577831793.db2.gz XLAHVCCBPMFDKP-KRWDZBQOSA-N 2 2 347.426 2.306 10 30 EEEELP C=CCC[NH2+][C@H]1CCN(C(=O)Cc2c[nH+]ccc2OC)C[C@@H]1CC ZINC001670582002 1176925764 /nfs/dbraw/zinc/92/57/64/1176925764.db2.gz POBSAYQRJLIDKI-RDJZCZTQSA-N 2 2 331.460 2.426 10 30 EEEELP COCC#CC[NH2+][C@@H]1CC[C@H](CNC(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001691239766 1177754075 /nfs/dbraw/zinc/75/40/75/1177754075.db2.gz BPRKYWBWSLIOLO-ZWKOTPCHSA-N 2 2 343.471 2.145 10 30 EEEELP C[C@H](CC(=O)N1CC[C@H]([NH2+]CC#Cc2ccccc2)C1)n1cc[nH+]c1 ZINC001267021195 1178104686 /nfs/dbraw/zinc/10/46/86/1178104686.db2.gz VALNMYKAPYJZHS-MJGOQNOKSA-N 2 2 336.439 2.076 10 30 EEEELP C=CC[N@@H+]1CCC[C@H]1CCCNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001267168619 1178386050 /nfs/dbraw/zinc/38/60/50/1178386050.db2.gz VNWFHEGDBOFXLZ-QGZVFWFLSA-N 2 2 330.476 2.309 10 30 EEEELP C=CC[N@H+]1CCC[C@H]1CCCNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001267168619 1178386059 /nfs/dbraw/zinc/38/60/59/1178386059.db2.gz VNWFHEGDBOFXLZ-QGZVFWFLSA-N 2 2 330.476 2.309 10 30 EEEELP C=C(Cl)C[N@@H+](CCCNC(=O)[C@@H]1CCn2cc[nH+]c2C1)C(C)C ZINC001267503640 1179199658 /nfs/dbraw/zinc/19/96/58/1179199658.db2.gz JOIPOWCJWNVKPW-OAHLLOKOSA-N 2 2 338.883 2.415 10 30 EEEELP C=C(Cl)C[N@H+](CCCNC(=O)[C@@H]1CCn2cc[nH+]c2C1)C(C)C ZINC001267503640 1179199663 /nfs/dbraw/zinc/19/96/63/1179199663.db2.gz JOIPOWCJWNVKPW-OAHLLOKOSA-N 2 2 338.883 2.415 10 30 EEEELP C=CC[NH2+]C[C@H](NC(=O)[C@@H]1CCc2[nH+]ccn2C1)C1CCCCC1 ZINC001268120008 1181766881 /nfs/dbraw/zinc/76/68/81/1181766881.db2.gz SJRJHNRNQONWAU-SJORKVTESA-N 2 2 330.476 2.286 10 30 EEEELP CN(C(=O)CC[NH+](C)C)[C@H]1CC[N@H+](CC#Cc2ccccc2Cl)C1 ZINC001269269168 1184121170 /nfs/dbraw/zinc/12/11/70/1184121170.db2.gz UYWPNDVIKBSHFQ-KRWDZBQOSA-N 2 2 347.890 2.176 10 30 EEEELP CN(C(=O)CC[NH+](C)C)[C@H]1CC[N@@H+](CC#Cc2ccccc2Cl)C1 ZINC001269269168 1184121175 /nfs/dbraw/zinc/12/11/75/1184121175.db2.gz UYWPNDVIKBSHFQ-KRWDZBQOSA-N 2 2 347.890 2.176 10 30 EEEELP C=CCCC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001271100930 1185888868 /nfs/dbraw/zinc/88/88/68/1185888868.db2.gz OZDIUPLEBUHFSA-AWEZNQCLSA-N 2 2 340.418 2.002 10 30 EEEELP C=CCCC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001271100930 1185888875 /nfs/dbraw/zinc/88/88/75/1185888875.db2.gz OZDIUPLEBUHFSA-AWEZNQCLSA-N 2 2 340.418 2.002 10 30 EEEELP C=CCCC[NH2+]C[C@H]1CN(C(=O)Cc2cn3c([nH+]2)CCCC3)C[C@@H]1C ZINC001271619860 1186339126 /nfs/dbraw/zinc/33/91/26/1186339126.db2.gz VQFXAABVJKMOJV-IRXDYDNUSA-N 2 2 344.503 2.412 10 30 EEEELP C[C@H](CC[NH2+]Cc1ccccc1C#N)NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001482878985 1187797725 /nfs/dbraw/zinc/79/77/25/1187797725.db2.gz VWKKLLSZOYQYFF-LSDHHAIUSA-N 2 2 339.443 2.145 10 30 EEEELP C[C@H](CC[NH2+]Cc1ccccc1C#N)NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001482878985 1187797729 /nfs/dbraw/zinc/79/77/29/1187797729.db2.gz VWKKLLSZOYQYFF-LSDHHAIUSA-N 2 2 339.443 2.145 10 30 EEEELP C=CC[NH+]1CCC[C@@](C)(CNC(=O)c2cc([C@@H]3CCC[N@H+]3C)n[nH]2)C1 ZINC001484160883 1191249072 /nfs/dbraw/zinc/24/90/72/1191249072.db2.gz LGFMIVNWDFYSNP-HKUYNNGSSA-N 2 2 345.491 2.194 10 30 EEEELP C=CC[NH+]1CCC[C@@](C)(CNC(=O)c2cc([C@@H]3CCC[N@@H+]3C)n[nH]2)C1 ZINC001484160883 1191249074 /nfs/dbraw/zinc/24/90/74/1191249074.db2.gz LGFMIVNWDFYSNP-HKUYNNGSSA-N 2 2 345.491 2.194 10 30 EEEELP C=CC[N@H+]1CCC[C@@](C)(CNC(=O)c2cc([C@@H]3CCC[NH+]3C)n[nH]2)C1 ZINC001484160883 1191249075 /nfs/dbraw/zinc/24/90/75/1191249075.db2.gz LGFMIVNWDFYSNP-HKUYNNGSSA-N 2 2 345.491 2.194 10 30 EEEELP C=CC[N@@H+]1CCC[C@@](C)(CNC(=O)c2cc([C@@H]3CCC[NH+]3C)n[nH]2)C1 ZINC001484160883 1191249077 /nfs/dbraw/zinc/24/90/77/1191249077.db2.gz LGFMIVNWDFYSNP-HKUYNNGSSA-N 2 2 345.491 2.194 10 30 EEEELP CC#CC[N@H+](CCCNC(=O)c1ccn2c(C)c[nH+]c2c1)C(C)C ZINC001691726308 1204222888 /nfs/dbraw/zinc/22/28/88/1204222888.db2.gz MIWWDWNNEUUWOH-UHFFFAOYSA-N 2 2 326.444 2.496 10 30 EEEELP CC#CC[N@@H+](CCCNC(=O)c1ccn2c(C)c[nH+]c2c1)C(C)C ZINC001691726308 1204222891 /nfs/dbraw/zinc/22/28/91/1204222891.db2.gz MIWWDWNNEUUWOH-UHFFFAOYSA-N 2 2 326.444 2.496 10 30 EEEELP C#CC[NH+]1CCC(N(CCC)C(=O)Cc2cn3c([nH+]2)CCCC3)CC1 ZINC001265338754 1323085407 /nfs/dbraw/zinc/08/54/07/1323085407.db2.gz JRMPWTJFCYQHDW-UHFFFAOYSA-N 2 2 342.487 2.098 10 30 EEEELP C=CCCC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001265587205 1323243698 /nfs/dbraw/zinc/24/36/98/1323243698.db2.gz XUAPNGGMYNXQQE-IAGOWNOFSA-N 2 2 330.476 2.240 10 30 EEEELP C=CCCC[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001265587205 1323243701 /nfs/dbraw/zinc/24/37/01/1323243701.db2.gz XUAPNGGMYNXQQE-IAGOWNOFSA-N 2 2 330.476 2.240 10 30 EEEELP C=CC[NH2+]CCCOC1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC001282582033 1325745047 /nfs/dbraw/zinc/74/50/47/1325745047.db2.gz PFTWWDMOIAQMBK-UHFFFAOYSA-N 2 2 348.491 2.100 10 30 EEEELP C#CCC[N@@H+](C)[C@H]1CCCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001317376043 1332203369 /nfs/dbraw/zinc/20/33/69/1332203369.db2.gz CJCQWNHYBAOISK-IBGZPJMESA-N 2 2 336.439 2.432 10 30 EEEELP C#CCC[N@H+](C)[C@H]1CCCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001317376043 1332203372 /nfs/dbraw/zinc/20/33/72/1332203372.db2.gz CJCQWNHYBAOISK-IBGZPJMESA-N 2 2 336.439 2.432 10 30 EEEELP C[C@H](CCNC(=O)c1cccc2[nH+]ccn21)[NH2+]CC#Cc1ccccc1 ZINC001317398754 1332214293 /nfs/dbraw/zinc/21/42/93/1332214293.db2.gz HAAZLSUICIPNAR-QGZVFWFLSA-N 2 2 346.434 2.484 10 30 EEEELP C=CCC[NH+]1CCC(CCNC(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC001319027480 1332638909 /nfs/dbraw/zinc/63/89/09/1332638909.db2.gz LZXWJTWQYCRUTE-KRWDZBQOSA-N 2 2 330.476 2.240 10 30 EEEELP C#CC[NH2+][C@H](C)c1ccc(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)cc1 ZINC001326478990 1334100902 /nfs/dbraw/zinc/10/09/02/1334100902.db2.gz DXURDMUJINKGBO-ZTFGCOKTSA-N 2 2 336.439 2.124 10 30 EEEELP C=CCCC[N@@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC001328808179 1334526207 /nfs/dbraw/zinc/52/62/07/1334526207.db2.gz OLPSZGDPETZRFW-IAGOWNOFSA-N 2 2 330.476 2.479 10 30 EEEELP C=CCCC[N@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC001328808179 1334526209 /nfs/dbraw/zinc/52/62/09/1334526209.db2.gz OLPSZGDPETZRFW-IAGOWNOFSA-N 2 2 330.476 2.479 10 30 EEEELP C=CCCCCC[N@@H+]1CCO[C@]2(CCN(C(=O)Cc3c[nH+]c[nH]3)C2)C1 ZINC001330161115 1334790162 /nfs/dbraw/zinc/79/01/62/1334790162.db2.gz SZVOCVBQPZSKAE-LJQANCHMSA-N 2 2 346.475 2.002 10 30 EEEELP C=CCCCCC[N@H+]1CCO[C@]2(CCN(C(=O)Cc3c[nH+]c[nH]3)C2)C1 ZINC001330161115 1334790165 /nfs/dbraw/zinc/79/01/65/1334790165.db2.gz SZVOCVBQPZSKAE-LJQANCHMSA-N 2 2 346.475 2.002 10 30 EEEELP C=CCCC[NH2+]C[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C(F)(F)F ZINC001332471497 1335831174 /nfs/dbraw/zinc/83/11/74/1335831174.db2.gz MZPITHXIFJUQIS-QWHCGFSZSA-N 2 2 344.381 2.145 10 30 EEEELP CC#CC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001661995518 1354738211 /nfs/dbraw/zinc/73/82/11/1354738211.db2.gz HCUUJLHRUNILOD-SJORKVTESA-N 2 2 330.476 2.167 10 30 EEEELP CC#CC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001661995518 1354738213 /nfs/dbraw/zinc/73/82/13/1354738213.db2.gz HCUUJLHRUNILOD-SJORKVTESA-N 2 2 330.476 2.167 10 30 EEEELP C=C(C)C[NH2+]C[C@@H](NC(=O)[C@H]1CCc2[nH+]ccn2C1)C1CCCC1 ZINC001671535979 1356358131 /nfs/dbraw/zinc/35/81/31/1356358131.db2.gz JVYLLGHCYWHVDU-DLBZAZTESA-N 2 2 330.476 2.286 10 30 EEEELP C=CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)C(C)(C)C1 ZINC000940847388 779409340 /nfs/dbraw/zinc/40/93/40/779409340.db2.gz WOGUBDINJXHILY-WBVHZDCISA-N 2 2 330.476 2.238 10 30 EEEELP C=CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)C(C)(C)C1 ZINC000940847388 779409342 /nfs/dbraw/zinc/40/93/42/779409342.db2.gz WOGUBDINJXHILY-WBVHZDCISA-N 2 2 330.476 2.238 10 30 EEEELP C#CCC[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)CCc1[nH+]ccn1C ZINC001565985325 1125482857 /nfs/dbraw/zinc/48/28/57/1125482857.db2.gz CSUCPPGMCKECLP-QZTJIDSGSA-N 2 2 344.503 2.373 10 30 EEEELP C=C(C)C[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001566121737 1125567808 /nfs/dbraw/zinc/56/78/08/1125567808.db2.gz UKIVRBLRLWCXDV-WMZOPIPTSA-N 2 2 330.476 2.335 10 30 EEEELP C=C(C)C[N@@H+](C)C[C@@H]1CCCCN1C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001566121737 1125567816 /nfs/dbraw/zinc/56/78/16/1125567816.db2.gz UKIVRBLRLWCXDV-WMZOPIPTSA-N 2 2 330.476 2.335 10 30 EEEELP C=C(Cl)C[N@@H+]1CC[C@H](CCNC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001437941903 1090536645 /nfs/dbraw/zinc/53/66/45/1090536645.db2.gz XJLZOXHOIJDXCN-LSDHHAIUSA-N 2 2 336.867 2.026 10 30 EEEELP C=C(Cl)C[N@H+]1CC[C@H](CCNC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001437941903 1090536648 /nfs/dbraw/zinc/53/66/48/1090536648.db2.gz XJLZOXHOIJDXCN-LSDHHAIUSA-N 2 2 336.867 2.026 10 30 EEEELP C=C(Cl)C[NH2+][C@H](CC)CNC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1 ZINC001438302331 1090781496 /nfs/dbraw/zinc/78/14/96/1090781496.db2.gz UAMRKNKTAXOPNK-IUODEOHRSA-N 2 2 339.871 2.027 10 30 EEEELP C=C(Cl)C[NH2+][C@H](CC)CNC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1 ZINC001438302331 1090781500 /nfs/dbraw/zinc/78/15/00/1090781500.db2.gz UAMRKNKTAXOPNK-IUODEOHRSA-N 2 2 339.871 2.027 10 30 EEEELP C[C@H](CC(=O)N[C@@H](C)C[N@H+](C)Cc1cccc(C#N)c1)n1cc[nH+]c1 ZINC001445814384 1091691952 /nfs/dbraw/zinc/69/19/52/1091691952.db2.gz MEBOBTVLHRDYIS-JKSUJKDBSA-N 2 2 339.443 2.343 10 30 EEEELP C[C@H](CC(=O)N[C@@H](C)C[N@@H+](C)Cc1cccc(C#N)c1)n1cc[nH+]c1 ZINC001445814384 1091691956 /nfs/dbraw/zinc/69/19/56/1091691956.db2.gz MEBOBTVLHRDYIS-JKSUJKDBSA-N 2 2 339.443 2.343 10 30 EEEELP CC#CC[N@@H+]1CCCC[C@H]1CNC(=O)C[NH+](C)Cc1ccccc1 ZINC001480335233 1100098582 /nfs/dbraw/zinc/09/85/82/1100098582.db2.gz OWDIJOQGMSZFMV-IBGZPJMESA-N 2 2 327.472 2.112 10 30 EEEELP CC#CC[N@H+]1CCCC[C@H]1CNC(=O)C[NH+](C)Cc1ccccc1 ZINC001480335233 1100098592 /nfs/dbraw/zinc/09/85/92/1100098592.db2.gz OWDIJOQGMSZFMV-IBGZPJMESA-N 2 2 327.472 2.112 10 30 EEEELP CC#CC[NH+]1CCCC[C@H]1CNC(=O)C[N@H+](C)Cc1ccccc1 ZINC001480335233 1100098599 /nfs/dbraw/zinc/09/85/99/1100098599.db2.gz OWDIJOQGMSZFMV-IBGZPJMESA-N 2 2 327.472 2.112 10 30 EEEELP CC#CC[NH+]1CCCC[C@H]1CNC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001480335233 1100098605 /nfs/dbraw/zinc/09/86/05/1100098605.db2.gz OWDIJOQGMSZFMV-IBGZPJMESA-N 2 2 327.472 2.112 10 30 EEEELP C=CCC[NH2+]CCC1CCN(C(=O)Cc2c[nH+]ccc2OC)CC1 ZINC001495417881 1101137443 /nfs/dbraw/zinc/13/74/43/1101137443.db2.gz IJWZBMTYZLSJOM-UHFFFAOYSA-N 2 2 331.460 2.427 10 30 EEEELP C=C(C)CC[NH2+]CC(C)(C)CN(C)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001505820274 1114213789 /nfs/dbraw/zinc/21/37/89/1114213789.db2.gz OJRNUALCAFKCFJ-INIZCTEOSA-N 2 2 332.492 2.486 10 30 EEEELP C=CC[NH2+]C[C@H](NC(=O)[C@H]1CCn2c[nH+]cc2C1)C1CCCCC1 ZINC001568343134 1124427779 /nfs/dbraw/zinc/42/77/79/1124427779.db2.gz BXVNVQYYGQTNGG-WMZOPIPTSA-N 2 2 330.476 2.286 10 30 EEEELP C[C@@H](CC[NH2+]Cc1ccccc1C#N)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001568682904 1124694646 /nfs/dbraw/zinc/69/46/46/1124694646.db2.gz RIMFZPXBEPCGLT-HOTGVXAUSA-N 2 2 339.443 2.390 10 30 EEEELP C#CCC[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001569163800 1125138155 /nfs/dbraw/zinc/13/81/55/1125138155.db2.gz FOBLSEIRZCDIJD-WMZOPIPTSA-N 2 2 342.487 2.050 10 30 EEEELP C#CCC[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001569163778 1125138186 /nfs/dbraw/zinc/13/81/86/1125138186.db2.gz FOBLSEIRZCDIJD-AEFFLSMTSA-N 2 2 342.487 2.050 10 30 EEEELP C[C@H]([NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1)c1ccc(C#N)cc1F ZINC000358551874 465188998 /nfs/dbraw/zinc/18/89/98/465188998.db2.gz CGOKKTKNBFWHMC-AWEZNQCLSA-N 2 2 346.450 2.291 10 30 EEEELP N#Cc1ccc(N2CC[C@@H]([NH2+]C[C@H]3CCCn4cc[nH+]c43)C2=O)cc1 ZINC000089780995 462718278 /nfs/dbraw/zinc/71/82/78/462718278.db2.gz VPEUIVQMGIGOGU-NVXWUHKLSA-N 2 2 335.411 2.027 10 30 EEEELP C[NH+]1CCC(CNC(=O)C2(C#N)CCCC2)([NH+]2CCCCC2)CC1 ZINC000172750891 464138655 /nfs/dbraw/zinc/13/86/55/464138655.db2.gz ITAMWEKGBOZBOM-UHFFFAOYSA-N 2 2 332.492 2.137 10 30 EEEELP C[C@H]1COC2(CCC2)C[NH+]1CC#CC[N@H+]1CC2(CCC2)OC[C@@H]1C ZINC000661470388 471768340 /nfs/dbraw/zinc/76/83/40/471768340.db2.gz SVBGGHMRTZHBEG-ROUUACIJSA-N 2 2 332.488 2.277 10 30 EEEELP C[C@H]1COC2(CCC2)C[NH+]1CC#CC[N@@H+]1CC2(CCC2)OC[C@@H]1C ZINC000661470388 471768343 /nfs/dbraw/zinc/76/83/43/471768343.db2.gz SVBGGHMRTZHBEG-ROUUACIJSA-N 2 2 332.488 2.277 10 30 EEEELP C=C(C)C[NH2+][C@@H](C)[C@@H]1CN(C(=O)c2ccn3c(C)c[nH+]c3c2)CCO1 ZINC001485636671 1191864940 /nfs/dbraw/zinc/86/49/40/1191864940.db2.gz XZZPEFHNKVZZQG-RDJZCZTQSA-N 2 2 342.443 2.038 10 30 EEEELP C=C(C)CC[N@@H+](C)C1CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC001485760885 1191935566 /nfs/dbraw/zinc/93/55/66/1191935566.db2.gz QUZWTRTVHMBIMK-INIZCTEOSA-N 2 2 330.476 2.335 10 30 EEEELP C=C(C)CC[N@H+](C)C1CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC001485760885 1191935568 /nfs/dbraw/zinc/93/55/68/1191935568.db2.gz QUZWTRTVHMBIMK-INIZCTEOSA-N 2 2 330.476 2.335 10 30 EEEELP C=CCC[C@@H](C)[N@H+](C)CCNC(=O)[C@H]1COCC[NH+]1C1CCCC1 ZINC001690971378 1176401414 /nfs/dbraw/zinc/40/14/14/1176401414.db2.gz XDPBETVWGOMOLE-SJLPKXTDSA-N 2 2 337.508 2.033 10 30 EEEELP C=CCC[C@@H](C)[N@@H+](C)CCNC(=O)[C@H]1COCC[NH+]1C1CCCC1 ZINC001690971378 1176401417 /nfs/dbraw/zinc/40/14/17/1176401417.db2.gz XDPBETVWGOMOLE-SJLPKXTDSA-N 2 2 337.508 2.033 10 30 EEEELP C=CCC[C@@H](C)[NH+](C)CCNC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC001690971378 1176401420 /nfs/dbraw/zinc/40/14/20/1176401420.db2.gz XDPBETVWGOMOLE-SJLPKXTDSA-N 2 2 337.508 2.033 10 30 EEEELP C=CCC[C@@H](C)[NH+](C)CCNC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC001690971378 1176401424 /nfs/dbraw/zinc/40/14/24/1176401424.db2.gz XDPBETVWGOMOLE-SJLPKXTDSA-N 2 2 337.508 2.033 10 30 EEEELP C=C(C)C[NH2+][C@H]1C[C@H](CNC(=O)Cc2cn3cccc(C)c3[nH+]2)C1 ZINC001691175206 1177672473 /nfs/dbraw/zinc/67/24/73/1177672473.db2.gz SXGCXJZNTOSLNG-WKILWMFISA-N 2 2 326.444 2.246 10 30 EEEELP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCC[C@H](C)[NH2+]CC#Cc1ccccc1 ZINC001267149352 1178327490 /nfs/dbraw/zinc/32/74/90/1178327490.db2.gz RWLDPQTYHXDGKO-SJORKVTESA-N 2 2 338.455 2.124 10 30 EEEELP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCC[C@H](C)[NH2+]CC#Cc1ccccc1 ZINC001267149352 1178327499 /nfs/dbraw/zinc/32/74/99/1178327499.db2.gz RWLDPQTYHXDGKO-SJORKVTESA-N 2 2 338.455 2.124 10 30 EEEELP C=C(C)CC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC001267926928 1180775317 /nfs/dbraw/zinc/77/53/17/1180775317.db2.gz ZDNNOWLSDFSJBG-BRWVUGGUSA-N 2 2 330.476 2.429 10 30 EEEELP CC[C@@H](C(=O)NCC1C[NH+](CC#Cc2cccc(Cl)c2)C1)[NH+](C)C ZINC001481654563 1182135279 /nfs/dbraw/zinc/13/52/79/1182135279.db2.gz GQEJXVCNROVDAU-SFHVURJKSA-N 2 2 347.890 2.080 10 30 EEEELP C=CCCCCC[NH+]1CC(NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001268466091 1182793735 /nfs/dbraw/zinc/79/37/35/1182793735.db2.gz BYNDFOXKOYOQQU-UHFFFAOYSA-N 2 2 339.443 2.428 10 30 EEEELP C=CCC[C@H](C)[NH+]1CC(N(C)C(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC001269838664 1184657683 /nfs/dbraw/zinc/65/76/83/1184657683.db2.gz HXZUHBMUSSNXNM-LPHOPBHVSA-N 2 2 349.519 2.127 10 30 EEEELP C=CCC[C@H](C)[NH+]1CC(N(C)C(=O)[C@@H]2COCC[N@H+]2C2CCCC2)C1 ZINC001269838664 1184657688 /nfs/dbraw/zinc/65/76/88/1184657688.db2.gz HXZUHBMUSSNXNM-LPHOPBHVSA-N 2 2 349.519 2.127 10 30 EEEELP C#CCC[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001482495057 1186396915 /nfs/dbraw/zinc/39/69/15/1186396915.db2.gz ZLYMCZWYJSACTO-FUHWJXTLSA-N 2 2 342.487 2.002 10 30 EEEELP C[C@H](CC[NH2+]CC#Cc1ccccc1)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001482879554 1187798327 /nfs/dbraw/zinc/79/83/27/1187798327.db2.gz WVFNBRUDRBSHQR-MSOLQXFVSA-N 2 2 338.455 2.370 10 30 EEEELP C=C(Cl)C[NH2+]C[C@@H](CCCC)NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001409816694 1190647818 /nfs/dbraw/zinc/64/78/18/1190647818.db2.gz JYYXGULNYOVAIJ-LSDHHAIUSA-N 2 2 338.883 2.463 10 30 EEEELP C#CCC[N@@H+](C)Cc1ccccc1CNC(=O)CCc1[nH+]ccn1C ZINC001272675824 1191018790 /nfs/dbraw/zinc/01/87/90/1191018790.db2.gz SCYHTBUHCOADEX-UHFFFAOYSA-N 2 2 338.455 2.124 10 30 EEEELP C#CCC[N@H+](C)Cc1ccccc1CNC(=O)CCc1[nH+]ccn1C ZINC001272675824 1191018792 /nfs/dbraw/zinc/01/87/92/1191018792.db2.gz SCYHTBUHCOADEX-UHFFFAOYSA-N 2 2 338.455 2.124 10 30 EEEELP C#CCN(C(=O)CCn1cc[nH+]c1)C1CC[NH+](CC2CCCC2)CC1 ZINC001483985633 1191143033 /nfs/dbraw/zinc/14/30/33/1191143033.db2.gz FFTDXDSSHOBNLD-UHFFFAOYSA-N 2 2 342.487 2.390 10 30 EEEELP C#CCN(C(=O)CCc1c[nH+]cn1C)C1CC[NH+](CC[C@@H](C)F)CC1 ZINC001483989681 1191144604 /nfs/dbraw/zinc/14/46/04/1191144604.db2.gz RZCBUNRTAVTWNG-MRXNPFEDSA-N 2 2 348.466 2.027 10 30 EEEELP C=CCC[NH2+]C[C@@H](NC(=O)[C@@H]1CCn2cc[nH+]c2C1)C1CCCC1 ZINC001484003295 1191151900 /nfs/dbraw/zinc/15/19/00/1191151900.db2.gz RXXNOXITNGRWCF-IAGOWNOFSA-N 2 2 330.476 2.286 10 30 EEEELP CC#CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)c3cc4c[nH+]ccc4[nH]3)C[C@@H]21 ZINC001486161844 1193707047 /nfs/dbraw/zinc/70/70/47/1193707047.db2.gz QBSJNLZDOLTDJV-UWWQBHOKSA-N 2 2 336.439 2.417 10 30 EEEELP C=CCOCC[N@H+]1CC[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C[C@@H]1C ZINC001274634805 1205108290 /nfs/dbraw/zinc/10/82/90/1205108290.db2.gz RAJMTTINTISBIY-IRXDYDNUSA-N 2 2 348.491 2.098 10 30 EEEELP C=CCOCC[N@@H+]1CC[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C[C@@H]1C ZINC001274634805 1205108291 /nfs/dbraw/zinc/10/82/91/1205108291.db2.gz RAJMTTINTISBIY-IRXDYDNUSA-N 2 2 348.491 2.098 10 30 EEEELP C=CCCC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC001691738151 1211483172 /nfs/dbraw/zinc/48/31/72/1211483172.db2.gz XLPWKEWNLABUFD-ZIFCJYIRSA-N 2 2 349.519 2.080 10 30 EEEELP C=CCCC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2COCC[N@H+]2C2CCCC2)C1 ZINC001691738151 1211483176 /nfs/dbraw/zinc/48/31/76/1211483176.db2.gz XLPWKEWNLABUFD-ZIFCJYIRSA-N 2 2 349.519 2.080 10 30 EEEELP C#CCC[NH2+]C[C@@H]1CCCCN1C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001491258172 1258856404 /nfs/dbraw/zinc/85/64/04/1258856404.db2.gz MIPJNVBDYRICRJ-IBGZPJMESA-N 2 2 336.439 2.480 10 30 EEEELP CC[N@H+](C)Cc1cc(O[C@H]2CC[NH+](C[C@@H](C#N)CCC#N)C2)ccn1 ZINC000856592573 1293576793 /nfs/dbraw/zinc/57/67/93/1293576793.db2.gz KNTATQLQYIPWKU-APWZRJJASA-N 2 2 341.459 2.430 10 30 EEEELP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](C[C@@H](C#N)CCC#N)C2)ccn1 ZINC000856592573 1293576798 /nfs/dbraw/zinc/57/67/98/1293576798.db2.gz KNTATQLQYIPWKU-APWZRJJASA-N 2 2 341.459 2.430 10 30 EEEELP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+](C[C@@H](C#N)CCC#N)C2)ccn1 ZINC000856592573 1293576801 /nfs/dbraw/zinc/57/68/01/1293576801.db2.gz KNTATQLQYIPWKU-APWZRJJASA-N 2 2 341.459 2.430 10 30 EEEELP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](C[C@@H](C#N)CCC#N)C2)ccn1 ZINC000856592573 1293576808 /nfs/dbraw/zinc/57/68/08/1293576808.db2.gz KNTATQLQYIPWKU-APWZRJJASA-N 2 2 341.459 2.430 10 30 EEEELP C#CCN(C(=O)[C@H](C)Cc1c[nH]c[nH+]1)C1CC[NH+](CCC=C)CC1 ZINC001278188465 1306225564 /nfs/dbraw/zinc/22/55/64/1306225564.db2.gz QGXRPTSSVFOBBR-MRXNPFEDSA-N 2 2 328.460 2.091 10 30 EEEELP C#CCN(C(=O)[C@H](C)Cc1c[nH+]c[nH]1)C1CC[NH+](CCC=C)CC1 ZINC001278188465 1306225573 /nfs/dbraw/zinc/22/55/73/1306225573.db2.gz QGXRPTSSVFOBBR-MRXNPFEDSA-N 2 2 328.460 2.091 10 30 EEEELP C=C(C)C[NH2+]C[C@H]1CC[C@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001278566072 1317247656 /nfs/dbraw/zinc/24/76/56/1317247656.db2.gz SPCNOASQLNOOJV-HOTGVXAUSA-N 2 2 330.476 2.213 10 30 EEEELP COCC#CC[NH2+]CC[C@@H]1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001280129345 1324092716 /nfs/dbraw/zinc/09/27/16/1324092716.db2.gz VWURPLKEKVYKHU-GOSISDBHSA-N 2 2 343.471 2.098 10 30 EEEELP C=C(C)C[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC001283529663 1326115897 /nfs/dbraw/zinc/11/58/97/1326115897.db2.gz HRHHAHDVJBZHHT-MOPGFXCFSA-N 2 2 349.519 2.033 10 30 EEEELP C=C(C)C[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC001283529663 1326115898 /nfs/dbraw/zinc/11/58/98/1326115898.db2.gz HRHHAHDVJBZHHT-MOPGFXCFSA-N 2 2 349.519 2.033 10 30 EEEELP C=CCC[NH2+][C@@H]1CCCCCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001316774962 1331886811 /nfs/dbraw/zinc/88/68/11/1331886811.db2.gz XRQFRGABWWJDMZ-DLBZAZTESA-N 2 2 330.476 2.382 10 30 EEEELP CC#CC[NH2+]C[C@H]1CCCCN1C(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001317189271 1332122615 /nfs/dbraw/zinc/12/26/15/1332122615.db2.gz IPSRPCBLZPEHME-MSOLQXFVSA-N 2 2 330.476 2.464 10 30 EEEELP C[C@@H](CNC(=O)CCn1cc[nH+]c1)[NH2+]CC#Cc1ccc(Cl)cc1 ZINC001317255256 1332154817 /nfs/dbraw/zinc/15/48/17/1332154817.db2.gz PMZHLBGHXWYZSO-HNNXBMFYSA-N 2 2 344.846 2.073 10 30 EEEELP C=CC[NH2+]CC1(NC(=O)Cc2cn3cccc(C)c3[nH+]2)CCCC1 ZINC001318664563 1332574005 /nfs/dbraw/zinc/57/40/05/1332574005.db2.gz PGBLVEWPDIYAJY-UHFFFAOYSA-N 2 2 326.444 2.390 10 30 EEEELP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC1CC[NH+](CC(=C)Cl)CC1 ZINC001319020697 1332638353 /nfs/dbraw/zinc/63/83/53/1332638353.db2.gz IPDQTSKZOXNAPJ-KRWDZBQOSA-N 2 2 337.895 2.055 10 30 EEEELP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC1CC[NH+](CC(=C)Cl)CC1 ZINC001319020697 1332638356 /nfs/dbraw/zinc/63/83/56/1332638356.db2.gz IPDQTSKZOXNAPJ-KRWDZBQOSA-N 2 2 337.895 2.055 10 30 EEEELP C=CCC[C@H](C)[N@H+]1C[C@H]2CN(C(=O)[C@H]3CCc4c[nH+]cn4C3)C[C@H]2C1 ZINC001325752667 1333953805 /nfs/dbraw/zinc/95/38/05/1333953805.db2.gz DNNXNQUGQMWMBY-XLAORIBOSA-N 2 2 342.487 2.190 10 30 EEEELP C=CCC[C@H](C)[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CCc4c[nH+]cn4C3)C[C@H]2C1 ZINC001325752667 1333953806 /nfs/dbraw/zinc/95/38/06/1333953806.db2.gz DNNXNQUGQMWMBY-XLAORIBOSA-N 2 2 342.487 2.190 10 30 EEEELP C#CC[NH2+]C1(CC)CCN(C(=O)Cc2cn3cccc(C)c3[nH+]2)CC1 ZINC001327480429 1334299687 /nfs/dbraw/zinc/29/96/87/1334299687.db2.gz ZHOGSGXWUPFXNK-UHFFFAOYSA-N 2 2 338.455 2.179 10 30 EEEELP C(=NNCCCn1cc[nH+]c1)C1(C[NH+]2CCOCC2)CCCCC1 ZINC000848417852 1338700092 /nfs/dbraw/zinc/70/00/92/1338700092.db2.gz FRSAAMMMIKBXMW-UHFFFAOYSA-N 2 2 333.480 2.131 10 30 EEEELP C=CCCC[N@H+]1C[C@@H]2CCCN(C(=O)[C@H](C)Cc3c[nH]c[nH+]3)[C@@H]2C1 ZINC001501424898 1342189894 /nfs/dbraw/zinc/18/98/94/1342189894.db2.gz MVLCFJLJLVMTJG-SOLBZPMBSA-N 2 2 330.476 2.477 10 30 EEEELP C=CCCC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@H](C)Cc3c[nH]c[nH+]3)[C@@H]2C1 ZINC001501424898 1342189897 /nfs/dbraw/zinc/18/98/97/1342189897.db2.gz MVLCFJLJLVMTJG-SOLBZPMBSA-N 2 2 330.476 2.477 10 30 EEEELP C=CCCC[N@H+]1C[C@@H]2CCCN(C(=O)[C@H](C)Cc3c[nH+]c[nH]3)[C@@H]2C1 ZINC001501424898 1342189900 /nfs/dbraw/zinc/18/99/00/1342189900.db2.gz MVLCFJLJLVMTJG-SOLBZPMBSA-N 2 2 330.476 2.477 10 30 EEEELP C=CCCC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@H](C)Cc3c[nH+]c[nH]3)[C@@H]2C1 ZINC001501424898 1342189902 /nfs/dbraw/zinc/18/99/02/1342189902.db2.gz MVLCFJLJLVMTJG-SOLBZPMBSA-N 2 2 330.476 2.477 10 30 EEEELP C=CCCC[NH2+]C1CCC(NC(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC001566984885 1342673295 /nfs/dbraw/zinc/67/32/95/1342673295.db2.gz GNCWWRKULXSLHH-GTPINHCMSA-N 2 2 330.476 2.429 10 30 EEEELP C#CCN(C(=O)[C@@H]1CCc2c[nH+]cn2C1)C1CC[NH+](CCCC)CC1 ZINC001569588592 1342904087 /nfs/dbraw/zinc/90/40/87/1342904087.db2.gz KBJXMQXSWKXAAG-QGZVFWFLSA-N 2 2 342.487 2.172 10 30 EEEELP C=CCC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC001570041616 1343003718 /nfs/dbraw/zinc/00/37/18/1343003718.db2.gz SFILXKBLABNIOH-BRWVUGGUSA-N 2 2 330.476 2.286 10 30 EEEELP C=CCCC[N@@H+]1CCOC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001570066604 1343008205 /nfs/dbraw/zinc/00/82/05/1343008205.db2.gz QQMQZLUSPAXDFB-RTBURBONSA-N 2 2 349.519 2.177 10 30 EEEELP C=CCCC[N@H+]1CCOC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001570066604 1343008209 /nfs/dbraw/zinc/00/82/09/1343008209.db2.gz QQMQZLUSPAXDFB-RTBURBONSA-N 2 2 349.519 2.177 10 30 EEEELP C=CCCC[NH+]1CCOC[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001570066604 1343008213 /nfs/dbraw/zinc/00/82/13/1343008213.db2.gz QQMQZLUSPAXDFB-RTBURBONSA-N 2 2 349.519 2.177 10 30 EEEELP C=CCCC[NH+]1CCOC[C@H]1CNC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001570066604 1343008216 /nfs/dbraw/zinc/00/82/16/1343008216.db2.gz QQMQZLUSPAXDFB-RTBURBONSA-N 2 2 349.519 2.177 10 30 EEEELP C=CCOCC[NH2+]C[C@@H]1CC[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001571538852 1343232021 /nfs/dbraw/zinc/23/20/21/1343232021.db2.gz VCBXNJOURHFMLO-GDBMZVCRSA-N 2 2 342.443 2.254 10 30 EEEELP CC(C)[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](C)CC#Cc1ccc(F)cc1 ZINC001663180962 1354932264 /nfs/dbraw/zinc/93/22/64/1354932264.db2.gz UHYNLUSRCSOGJV-IBGZPJMESA-N 2 2 345.462 2.098 10 30 EEEELP CC(C)[N@H+]1CCC[C@H]1C(=O)NCC[NH+](C)CC#Cc1ccc(F)cc1 ZINC001663180962 1354932265 /nfs/dbraw/zinc/93/22/65/1354932265.db2.gz UHYNLUSRCSOGJV-IBGZPJMESA-N 2 2 345.462 2.098 10 30 EEEELP CC(C)[NH+]1CCC[C@H]1C(=O)NCC[N@H+](C)CC#Cc1ccc(F)cc1 ZINC001663180962 1354932268 /nfs/dbraw/zinc/93/22/68/1354932268.db2.gz UHYNLUSRCSOGJV-IBGZPJMESA-N 2 2 345.462 2.098 10 30 EEEELP CC(C)[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](C)CC#Cc1ccc(F)cc1 ZINC001663180962 1354932269 /nfs/dbraw/zinc/93/22/69/1354932269.db2.gz UHYNLUSRCSOGJV-IBGZPJMESA-N 2 2 345.462 2.098 10 30 EEEELP C=CCC[NH2+][C@H](C)C1CCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC001664443422 1355165562 /nfs/dbraw/zinc/16/55/62/1355165562.db2.gz VHSOYMKWGHDVDE-NVXWUHKLSA-N 2 2 330.476 2.238 10 30 EEEELP C=C(C)CC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC001666295677 1355505103 /nfs/dbraw/zinc/50/51/03/1355505103.db2.gz ULIRGDVNCXZSCY-ULQDDVLXSA-N 2 2 330.476 2.429 10 30 EEEELP C#CCN(C(=O)[C@@H](C)Cc1c[nH]c[nH+]1)C1CC[NH+](CC(C)C)CC1 ZINC001671497497 1356350534 /nfs/dbraw/zinc/35/05/34/1356350534.db2.gz SVUMFXUUJRNVOY-INIZCTEOSA-N 2 2 330.476 2.171 10 30 EEEELP C#CCN(C(=O)[C@@H](C)Cc1c[nH+]c[nH]1)C1CC[NH+](CC(C)C)CC1 ZINC001671497497 1356350541 /nfs/dbraw/zinc/35/05/41/1356350541.db2.gz SVUMFXUUJRNVOY-INIZCTEOSA-N 2 2 330.476 2.171 10 30 EEEELP C#CC[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001692119896 1404980540 /nfs/dbraw/zinc/98/05/40/1404980540.db2.gz ORXIURXTGFCKLC-KZNAEPCWSA-N 2 2 330.476 2.464 10 30 EEEELP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)C(C)(C)C1 ZINC000940851341 779434685 /nfs/dbraw/zinc/43/46/85/779434685.db2.gz VSXCZJSFSGXJBX-HZPDHXFCSA-N 2 2 330.476 2.238 10 30 EEEELP C=C(C)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)C(C)(C)C1 ZINC000940851341 779434689 /nfs/dbraw/zinc/43/46/89/779434689.db2.gz VSXCZJSFSGXJBX-HZPDHXFCSA-N 2 2 330.476 2.238 10 30 EEEELP C=C(C)C[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001566121736 1125568850 /nfs/dbraw/zinc/56/88/50/1125568850.db2.gz UKIVRBLRLWCXDV-AEFFLSMTSA-N 2 2 330.476 2.335 10 30 EEEELP C=C(C)C[N@@H+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001566121736 1125568857 /nfs/dbraw/zinc/56/88/57/1125568857.db2.gz UKIVRBLRLWCXDV-AEFFLSMTSA-N 2 2 330.476 2.335 10 30 EEEELP C=C(Cl)C[N@H+](C)C[C@H]1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001494145202 1103597599 /nfs/dbraw/zinc/59/75/99/1103597599.db2.gz HYXSZHAXKFTNOB-OAHLLOKOSA-N 2 2 338.883 2.459 10 30 EEEELP C=C(Cl)C[N@@H+](C)C[C@H]1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001494145202 1103597608 /nfs/dbraw/zinc/59/76/08/1103597608.db2.gz HYXSZHAXKFTNOB-OAHLLOKOSA-N 2 2 338.883 2.459 10 30 EEEELP C[C@H](CN(C)C(=O)Cn1cc[nH+]c1)[NH2+]CC#Cc1ccccc1Cl ZINC001507163611 1115142742 /nfs/dbraw/zinc/14/27/42/1115142742.db2.gz MPKXAHSBQYAHKK-OAHLLOKOSA-N 2 2 344.846 2.025 10 30 EEEELP O=C(NCc1cn2c([nH+]1)CCCC2)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000328793963 539761035 /nfs/dbraw/zinc/76/10/35/539761035.db2.gz SEYKBDKKCVDWTK-INIZCTEOSA-N 2 2 331.464 2.194 10 30 EEEELP O=C(Nc1nc(C[NH+]2CCCCC2)cs1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000329391777 539773404 /nfs/dbraw/zinc/77/34/04/539773404.db2.gz VOAPNYGKMZPDTO-HNNXBMFYSA-N 2 2 349.504 2.455 10 30 EEEELP O=C(Nc1nc(C[NH+]2CCCCC2)cs1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000329391777 539773407 /nfs/dbraw/zinc/77/34/07/539773407.db2.gz VOAPNYGKMZPDTO-HNNXBMFYSA-N 2 2 349.504 2.455 10 30 EEEELP C=CC[NH+](CC=C)[C@@H](CNC(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1)C(C)C ZINC000358298775 465044094 /nfs/dbraw/zinc/04/40/94/465044094.db2.gz DSBKLEUAPGEPKV-QAPCUYQASA-N 2 2 345.491 2.265 10 30 EEEELP C=CC[NH+](CC=C)[C@@H](CNC(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1)C(C)C ZINC000358298775 465044099 /nfs/dbraw/zinc/04/40/99/465044099.db2.gz DSBKLEUAPGEPKV-QAPCUYQASA-N 2 2 345.491 2.265 10 30 EEEELP C=C[C@@H]1OCC[C@H]1C[NH2+]C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000578996238 468292433 /nfs/dbraw/zinc/29/24/33/468292433.db2.gz IZLAOSRFZDHYCI-BXWFABGCSA-N 2 2 329.444 2.195 10 30 EEEELP C[C@@H]1C[C@H]([NH+]=C([O-])N[C@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)CC[N@@H+]1C ZINC000329682907 465404862 /nfs/dbraw/zinc/40/48/62/465404862.db2.gz XNTWRJXSZPSKTO-KFWWJZLASA-N 2 2 347.507 2.482 10 30 EEEELP C[C@@H]1C[C@H]([NH+]=C([O-])N[C@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)CC[N@H+]1C ZINC000329682907 465404865 /nfs/dbraw/zinc/40/48/65/465404865.db2.gz XNTWRJXSZPSKTO-KFWWJZLASA-N 2 2 347.507 2.482 10 30 EEEELP C[C@@H]1C[C@H](NC([O-])=[NH+][C@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)CC[N@@H+]1C ZINC000329682907 465404871 /nfs/dbraw/zinc/40/48/71/465404871.db2.gz XNTWRJXSZPSKTO-KFWWJZLASA-N 2 2 347.507 2.482 10 30 EEEELP C[C@@H]1C[C@H](NC([O-])=[NH+][C@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)CC[N@H+]1C ZINC000329682907 465404875 /nfs/dbraw/zinc/40/48/75/465404875.db2.gz XNTWRJXSZPSKTO-KFWWJZLASA-N 2 2 347.507 2.482 10 30 EEEELP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000567986090 468250907 /nfs/dbraw/zinc/25/09/07/468250907.db2.gz IYPYZAZTHJUQGO-RYRKJORJSA-N 2 2 344.415 2.150 10 30 EEEELP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000567986090 468250910 /nfs/dbraw/zinc/25/09/10/468250910.db2.gz IYPYZAZTHJUQGO-RYRKJORJSA-N 2 2 344.415 2.150 10 30 EEEELP Cn1cc[nH+]c1[C@H](NC(=O)[C@H]([NH3+])CCCCC#N)c1ccc(F)cc1 ZINC000594440600 468589651 /nfs/dbraw/zinc/58/96/51/468589651.db2.gz GWZJNTYNGJNCFK-HZPDHXFCSA-N 2 2 343.406 2.176 10 30 EEEELP N#CCc1ccc(OC[C@@H](O)C[NH+]2CCC(c3c[nH]c[nH+]3)CC2)cc1 ZINC000610990322 469132707 /nfs/dbraw/zinc/13/27/07/469132707.db2.gz HEGJJTJJOPSURD-KRWDZBQOSA-N 2 2 340.427 2.095 10 30 EEEELP C#CC[NH+]1C[C@H](NC(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)C(C)(C)C1 ZINC001485582884 1191848932 /nfs/dbraw/zinc/84/89/32/1191848932.db2.gz VMQJWOYCAXBXOD-ZWKOTPCHSA-N 2 2 327.472 2.139 10 30 EEEELP C#CC[NH+]1C[C@H](NC(=O)[C@@H](c2ccccc2)[N@H+](C)CC)C(C)(C)C1 ZINC001485582884 1191848935 /nfs/dbraw/zinc/84/89/35/1191848935.db2.gz VMQJWOYCAXBXOD-ZWKOTPCHSA-N 2 2 327.472 2.139 10 30 EEEELP C#CC[N@H+]1C[C@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)CC)C(C)(C)C1 ZINC001485582884 1191848937 /nfs/dbraw/zinc/84/89/37/1191848937.db2.gz VMQJWOYCAXBXOD-ZWKOTPCHSA-N 2 2 327.472 2.139 10 30 EEEELP C#CC[N@@H+]1C[C@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)CC)C(C)(C)C1 ZINC001485582884 1191848938 /nfs/dbraw/zinc/84/89/38/1191848938.db2.gz VMQJWOYCAXBXOD-ZWKOTPCHSA-N 2 2 327.472 2.139 10 30 EEEELP C#CCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001269575227 1184404309 /nfs/dbraw/zinc/40/43/09/1184404309.db2.gz SHHJQUIWPMYWSD-MQVJKMGUSA-N 2 2 328.460 2.212 10 30 EEEELP C=CCCC[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC001482325120 1185383429 /nfs/dbraw/zinc/38/34/29/1185383429.db2.gz UQKBFSOYOVDVHC-SJLPKXTDSA-N 2 2 337.508 2.033 10 30 EEEELP C=CCCC[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC001482325120 1185383435 /nfs/dbraw/zinc/38/34/35/1185383435.db2.gz UQKBFSOYOVDVHC-SJLPKXTDSA-N 2 2 337.508 2.033 10 30 EEEELP C[C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)[NH+](C)Cc1ccc(C#N)cc1F ZINC001409589978 1190070995 /nfs/dbraw/zinc/07/09/95/1190070995.db2.gz NTTXTFYVKIMYLI-KDOFPFPSSA-N 2 2 346.450 2.118 10 30 EEEELP C[C@H](CNC(=O)[C@@H]1CCCC[N@H+]1C)[NH+](C)Cc1ccc(C#N)cc1F ZINC001409589978 1190071004 /nfs/dbraw/zinc/07/10/04/1190071004.db2.gz NTTXTFYVKIMYLI-KDOFPFPSSA-N 2 2 346.450 2.118 10 30 EEEELP C[C@H](CNC(=O)[C@@H]1CCCC[NH+]1C)[N@H+](C)Cc1ccc(C#N)cc1F ZINC001409589978 1190071006 /nfs/dbraw/zinc/07/10/06/1190071006.db2.gz NTTXTFYVKIMYLI-KDOFPFPSSA-N 2 2 346.450 2.118 10 30 EEEELP C[C@H](CNC(=O)[C@@H]1CCCC[NH+]1C)[N@@H+](C)Cc1ccc(C#N)cc1F ZINC001409589978 1190071016 /nfs/dbraw/zinc/07/10/16/1190071016.db2.gz NTTXTFYVKIMYLI-KDOFPFPSSA-N 2 2 346.450 2.118 10 30 EEEELP C#CCN(C(=O)c1cc2c[nH+]ccc2[nH]1)C1CC[NH+](CC#CC)CC1 ZINC001483984280 1191142153 /nfs/dbraw/zinc/14/21/53/1191142153.db2.gz VVWWOMOKTSQHRW-UHFFFAOYSA-N 2 2 334.423 2.126 10 30 EEEELP CC#CC[NH2+]C1(C)CCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC001274356524 1205009174 /nfs/dbraw/zinc/00/91/74/1205009174.db2.gz GWRPIGNQRDBLRT-UHFFFAOYSA-N 2 2 336.439 2.480 10 30 EEEELP C=C(C)C[N@H+](CC)CC1CCN(C(=O)CCc2c[nH+]cn2C)CC1 ZINC001274960437 1205217714 /nfs/dbraw/zinc/21/77/14/1205217714.db2.gz MJXAQKZHGQYRKP-UHFFFAOYSA-N 2 2 332.492 2.489 10 30 EEEELP C=C(C)C[N@@H+](CC)CC1CCN(C(=O)CCc2c[nH+]cn2C)CC1 ZINC001274960437 1205217717 /nfs/dbraw/zinc/21/77/17/1205217717.db2.gz MJXAQKZHGQYRKP-UHFFFAOYSA-N 2 2 332.492 2.489 10 30 EEEELP C=CCCC[N@@H+]1CC[C@@H]([C@H]2CCCN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC001275184491 1205276865 /nfs/dbraw/zinc/27/68/65/1205276865.db2.gz PNQPNIZBRWRTFM-ZWKOTPCHSA-N 2 2 330.476 2.410 10 30 EEEELP C=CCCC[N@H+]1CC[C@@H]([C@H]2CCCN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC001275184491 1205276866 /nfs/dbraw/zinc/27/68/66/1205276866.db2.gz PNQPNIZBRWRTFM-ZWKOTPCHSA-N 2 2 330.476 2.410 10 30 EEEELP C[C@@H](NC(=O)Cc1[nH]cc[nH+]1)[C@H](C)[NH2+]CC#Cc1cccc(Cl)c1 ZINC001275530902 1205397524 /nfs/dbraw/zinc/39/75/24/1205397524.db2.gz ZEJLDDWCJOPWKS-UONOGXRCSA-N 2 2 344.846 2.140 10 30 EEEELP C[C@@H]([NH2+][C@@H]1C[NH2+]CC2(CCOCC2)C1)c1ccc(OCC#N)cc1 ZINC000925799328 1206154814 /nfs/dbraw/zinc/15/48/14/1206154814.db2.gz TYDNFMVUZPPQAG-WBVHZDCISA-N 2 2 329.444 2.398 10 30 EEEELP N#CCOc1ccc(C[NH+]2CCC([N@@H+]3CCCOCC3)CC2)cc1 ZINC000931289115 1206622372 /nfs/dbraw/zinc/62/23/72/1206622372.db2.gz XZDHUOXJDBAMRV-UHFFFAOYSA-N 2 2 329.444 2.276 10 30 EEEELP N#CCOc1ccc(C[NH+]2CCC([N@H+]3CCCOCC3)CC2)cc1 ZINC000931289115 1206622373 /nfs/dbraw/zinc/62/23/73/1206622373.db2.gz XZDHUOXJDBAMRV-UHFFFAOYSA-N 2 2 329.444 2.276 10 30 EEEELP N#Cc1cccc(OCC[NH+]2CCC([N@@H+]3CCCOCC3)CC2)c1 ZINC000931291337 1206622551 /nfs/dbraw/zinc/62/25/51/1206622551.db2.gz OUCTTZPFKLXDJA-UHFFFAOYSA-N 2 2 329.444 2.124 10 30 EEEELP N#Cc1cccc(OCC[NH+]2CCC([N@H+]3CCCOCC3)CC2)c1 ZINC000931291337 1206622552 /nfs/dbraw/zinc/62/25/52/1206622552.db2.gz OUCTTZPFKLXDJA-UHFFFAOYSA-N 2 2 329.444 2.124 10 30 EEEELP C[C@@H]1[C@@H](NC(=O)C2([NH+](C)C)CCC2)CC[N@@H+]1Cc1ccccc1C#N ZINC001489272020 1290499269 /nfs/dbraw/zinc/49/92/69/1290499269.db2.gz OAJHOGNZSBCHPQ-QAPCUYQASA-N 2 2 340.471 2.122 10 30 EEEELP C[C@@H]1[C@@H](NC(=O)C2([NH+](C)C)CCC2)CC[N@H+]1Cc1ccccc1C#N ZINC001489272020 1290499282 /nfs/dbraw/zinc/49/92/82/1290499282.db2.gz OAJHOGNZSBCHPQ-QAPCUYQASA-N 2 2 340.471 2.122 10 30 EEEELP C=CCC[N@H+]1CCC[C@@](C)(CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001278667640 1317607775 /nfs/dbraw/zinc/60/77/75/1317607775.db2.gz HFOWHVJVZRCVPH-APWZRJJASA-N 2 2 330.476 2.240 10 30 EEEELP C=CCC[N@@H+]1CCC[C@@](C)(CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001278667640 1317607782 /nfs/dbraw/zinc/60/77/82/1317607782.db2.gz HFOWHVJVZRCVPH-APWZRJJASA-N 2 2 330.476 2.240 10 30 EEEELP C#CCC[NH2+][C@H]1CCCCCN(C(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001264119123 1322631934 /nfs/dbraw/zinc/63/19/34/1322631934.db2.gz URYGVCOYAFJMRO-KRWDZBQOSA-N 2 2 342.487 2.146 10 30 EEEELP C=C(C)C[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001264741749 1322798314 /nfs/dbraw/zinc/79/83/14/1322798314.db2.gz OUWPRSIVJHTMFP-SJORKVTESA-N 2 2 330.476 2.335 10 30 EEEELP C=C(C)C[N@@H+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001264741749 1322798318 /nfs/dbraw/zinc/79/83/18/1322798318.db2.gz OUWPRSIVJHTMFP-SJORKVTESA-N 2 2 330.476 2.335 10 30 EEEELP C#CCC[N@H+]1C[C@@H](NC(=O)[C@H](CC(C)C)n2cc[nH+]c2)C(C)(C)C1 ZINC001282811543 1325794467 /nfs/dbraw/zinc/79/44/67/1325794467.db2.gz PICFGUTUFDOGNE-DLBZAZTESA-N 2 2 330.476 2.320 10 30 EEEELP C#CCC[N@@H+]1C[C@@H](NC(=O)[C@H](CC(C)C)n2cc[nH+]c2)C(C)(C)C1 ZINC001282811543 1325794470 /nfs/dbraw/zinc/79/44/70/1325794470.db2.gz PICFGUTUFDOGNE-DLBZAZTESA-N 2 2 330.476 2.320 10 30 EEEELP C=C(C)C[NH2+]C[C@H](NC(=O)Cc1cn2c([nH+]1)CCCC2)C(C)(C)C ZINC001284590396 1326621525 /nfs/dbraw/zinc/62/15/25/1326621525.db2.gz OPCWQHSAVIYZBK-INIZCTEOSA-N 2 2 332.492 2.459 10 30 EEEELP C[C@H](CNC(=O)C[C@H](C)n1cc[nH+]c1)[NH2+]Cc1ccccc1C#N ZINC001491595171 1330177976 /nfs/dbraw/zinc/17/79/76/1330177976.db2.gz MSKCRHIRFJQBGT-CABCVRRESA-N 2 2 325.416 2.000 10 30 EEEELP C=C(C)CC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001317376705 1332204157 /nfs/dbraw/zinc/20/41/57/1332204157.db2.gz QYHZOSYETOMYHY-DLBZAZTESA-N 2 2 330.476 2.335 10 30 EEEELP C=C(C)CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001317376705 1332204158 /nfs/dbraw/zinc/20/41/58/1332204158.db2.gz QYHZOSYETOMYHY-DLBZAZTESA-N 2 2 330.476 2.335 10 30 EEEELP CC#CC[N@@H+]1CCC[C@@]2(CCN(C(=O)CCCn3cc[nH+]c3)C2)C1 ZINC001323816810 1333546569 /nfs/dbraw/zinc/54/65/69/1333546569.db2.gz TVHCMSRRUISUPA-LJQANCHMSA-N 2 2 328.460 2.001 10 30 EEEELP CC#CC[N@H+]1CCC[C@@]2(CCN(C(=O)CCCn3cc[nH+]c3)C2)C1 ZINC001323816810 1333546571 /nfs/dbraw/zinc/54/65/71/1333546571.db2.gz TVHCMSRRUISUPA-LJQANCHMSA-N 2 2 328.460 2.001 10 30 EEEELP C=CCC[NH2+][C@@H](C)C1CCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC001567627845 1342796798 /nfs/dbraw/zinc/79/67/98/1342796798.db2.gz ZRFKIAYMNPNJAB-DOTOQJQBSA-N 2 2 330.476 2.238 10 30 EEEELP C=CCCC[NH+]1CCC2(CCN(C(=O)Cc3c[nH+]cn3C)C2)CC1 ZINC001569470749 1342877420 /nfs/dbraw/zinc/87/74/20/1342877420.db2.gz HDLFKDFOHJNOIO-UHFFFAOYSA-N 2 2 330.476 2.243 10 30 EEEELP C=CCCC[N@@H+](C)C1CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC001676057317 1357098365 /nfs/dbraw/zinc/09/83/65/1357098365.db2.gz WGHROWBBBPNUGQ-MRXNPFEDSA-N 2 2 330.476 2.335 10 30 EEEELP C=CCCC[N@H+](C)C1CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC001676057317 1357098367 /nfs/dbraw/zinc/09/83/67/1357098367.db2.gz WGHROWBBBPNUGQ-MRXNPFEDSA-N 2 2 330.476 2.335 10 30 EEEELP C=C(C)C[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC001570040729 1343003704 /nfs/dbraw/zinc/00/37/04/1343003704.db2.gz YPCDQKJCEZUCKO-BRWVUGGUSA-N 2 2 330.476 2.286 10 30 EEEELP C=C(C)C[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC001570040747 1343003731 /nfs/dbraw/zinc/00/37/31/1343003731.db2.gz YPCDQKJCEZUCKO-ULQDDVLXSA-N 2 2 330.476 2.286 10 30 EEEELP C=CC[N@H+]1CCc2c(CNC(=O)CCc3c[nH+]cn3C)cccc2C1 ZINC001570079029 1343010007 /nfs/dbraw/zinc/01/00/07/1343010007.db2.gz HLYBAIBCBVFMQR-UHFFFAOYSA-N 2 2 338.455 2.213 10 30 EEEELP C=CC[N@@H+]1CCc2c(CNC(=O)CCc3c[nH+]cn3C)cccc2C1 ZINC001570079029 1343010012 /nfs/dbraw/zinc/01/00/12/1343010012.db2.gz HLYBAIBCBVFMQR-UHFFFAOYSA-N 2 2 338.455 2.213 10 30 EEEELP C#CCC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)C(C)(C)n3c[nH+]c(C)c3)C[C@H]21 ZINC001676837712 1357217111 /nfs/dbraw/zinc/21/71/11/1357217111.db2.gz LZPNMLKJFIOLCG-RCCFBDPRSA-N 2 2 342.487 2.167 10 30 EEEELP C=C(C)C[NH2+][C@@H](C)C1CCN(C(=O)Cc2c[nH+]ccc2OC)CC1 ZINC001664442863 1355165404 /nfs/dbraw/zinc/16/54/04/1355165404.db2.gz PNVSSRRQFVKXJS-HNNXBMFYSA-N 2 2 331.460 2.426 10 30 EEEELP C=CCC[NH2+][C@H](C)C1CCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC001664443433 1355166246 /nfs/dbraw/zinc/16/62/46/1355166246.db2.gz VHSOYMKWGHDVDE-WBVHZDCISA-N 2 2 330.476 2.238 10 30 EEEELP C=CCCC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)[C@@H]2C1 ZINC001672558080 1356554642 /nfs/dbraw/zinc/55/46/42/1356554642.db2.gz KUABSFRUDOGAAY-BVIKNXMNSA-N 2 2 328.460 2.402 10 30 EEEELP C=CCCC[N@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)[C@@H]2C1 ZINC001672558080 1356554645 /nfs/dbraw/zinc/55/46/45/1356554645.db2.gz KUABSFRUDOGAAY-BVIKNXMNSA-N 2 2 328.460 2.402 10 30 EEEELP C=CCCC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)[C@@H]2C1 ZINC001672558080 1356554648 /nfs/dbraw/zinc/55/46/48/1356554648.db2.gz KUABSFRUDOGAAY-BVIKNXMNSA-N 2 2 328.460 2.402 10 30 EEEELP C=CCCC[N@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)[C@@H]2C1 ZINC001672558080 1356554652 /nfs/dbraw/zinc/55/46/52/1356554652.db2.gz KUABSFRUDOGAAY-BVIKNXMNSA-N 2 2 328.460 2.402 10 30 EEEELP C=C(Cl)C[NH2+]CC[C@@H]1CCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001672816059 1356591126 /nfs/dbraw/zinc/59/11/26/1356591126.db2.gz MFLNOBZFRLJLDP-HUUCEWRRSA-N 2 2 336.867 2.026 10 30 EEEELP CC#CC[NH2+]CC[C@H]1CCN(C(=O)Cc2cn3cccc(C)c3[nH+]2)C1 ZINC001672880399 1356605561 /nfs/dbraw/zinc/60/55/61/1356605561.db2.gz UOZFXCOAEOLYGC-KRWDZBQOSA-N 2 2 338.455 2.037 10 30 EEEELP C=CCCC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001691889993 1404956040 /nfs/dbraw/zinc/95/60/40/1404956040.db2.gz QHOWPBPHCUZEHY-YESZJQIVSA-N 2 2 330.476 2.286 10 30 EEEELP C#C[C@H]1CCC[N@@H+](CC(=O)N2CC[NH+]([C@H](C)c3ccccc3)CC2)C1 ZINC000847021966 790836637 /nfs/dbraw/zinc/83/66/37/790836637.db2.gz DJTBDLHMUSFPQD-MOPGFXCFSA-N 2 2 339.483 2.237 10 30 EEEELP C#C[C@H]1CCC[N@H+](CC(=O)N2CC[NH+]([C@H](C)c3ccccc3)CC2)C1 ZINC000847021966 790836652 /nfs/dbraw/zinc/83/66/52/790836652.db2.gz DJTBDLHMUSFPQD-MOPGFXCFSA-N 2 2 339.483 2.237 10 30 EEEELP C[N@H+](CCNC(=O)[C@H]1CC[C@@H]2CCCC[NH+]12)Cc1ccc(C#N)s1 ZINC001437479739 1089827450 /nfs/dbraw/zinc/82/74/50/1089827450.db2.gz ARTIFXPMIVPGEV-WMLDXEAASA-N 2 2 346.500 2.185 10 30 EEEELP C[N@@H+](CCNC(=O)[C@H]1CC[C@@H]2CCCC[NH+]12)Cc1ccc(C#N)s1 ZINC001437479739 1089827464 /nfs/dbraw/zinc/82/74/64/1089827464.db2.gz ARTIFXPMIVPGEV-WMLDXEAASA-N 2 2 346.500 2.185 10 30 EEEELP C[NH+](CCNC(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12)Cc1ccc(C#N)s1 ZINC001437479739 1089827485 /nfs/dbraw/zinc/82/74/85/1089827485.db2.gz ARTIFXPMIVPGEV-WMLDXEAASA-N 2 2 346.500 2.185 10 30 EEEELP C[NH+](CCNC(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12)Cc1ccc(C#N)s1 ZINC001437479739 1089827495 /nfs/dbraw/zinc/82/74/95/1089827495.db2.gz ARTIFXPMIVPGEV-WMLDXEAASA-N 2 2 346.500 2.185 10 30 EEEELP C=CCC[NH2+][C@H](C)C1CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC001493831349 1108714036 /nfs/dbraw/zinc/71/40/36/1108714036.db2.gz NLYQLBZVZCAEBU-NVXWUHKLSA-N 2 2 330.476 2.238 10 30 EEEELP C=CCC[C@H](C)[NH+]1CC(N(C)C(=O)c2cc([C@@H]3CCC[N@@H+]3C)[nH]n2)C1 ZINC001499672079 1112439058 /nfs/dbraw/zinc/43/90/58/1112439058.db2.gz HHHOKRLNTAWKJW-KSSFIOAISA-N 2 2 345.491 2.287 10 30 EEEELP C=CCC[C@H](C)[NH+]1CC(N(C)C(=O)c2cc([C@@H]3CCC[N@H+]3C)[nH]n2)C1 ZINC001499672079 1112439061 /nfs/dbraw/zinc/43/90/61/1112439061.db2.gz HHHOKRLNTAWKJW-KSSFIOAISA-N 2 2 345.491 2.287 10 30 EEEELP C#CC[N@@H+](C)Cc1ccccc1CNC(=O)C[NH+](C)Cc1ccccc1 ZINC001501670143 1113425981 /nfs/dbraw/zinc/42/59/81/1113425981.db2.gz IHDLTZZVXFODHN-UHFFFAOYSA-N 2 2 349.478 2.500 10 30 EEEELP C#CC[N@H+](C)Cc1ccccc1CNC(=O)C[NH+](C)Cc1ccccc1 ZINC001501670143 1113425983 /nfs/dbraw/zinc/42/59/83/1113425983.db2.gz IHDLTZZVXFODHN-UHFFFAOYSA-N 2 2 349.478 2.500 10 30 EEEELP C#CC[NH+](C)Cc1ccccc1CNC(=O)C[N@H+](C)Cc1ccccc1 ZINC001501670143 1113425991 /nfs/dbraw/zinc/42/59/91/1113425991.db2.gz IHDLTZZVXFODHN-UHFFFAOYSA-N 2 2 349.478 2.500 10 30 EEEELP C#CC[NH+](C)Cc1ccccc1CNC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001501670143 1113425992 /nfs/dbraw/zinc/42/59/92/1113425992.db2.gz IHDLTZZVXFODHN-UHFFFAOYSA-N 2 2 349.478 2.500 10 30 EEEELP O=C(Cc1[nH]cc[nH+]1)N[C@H]1CC[C@H]([NH2+]CC#Cc2ccccc2)CC1 ZINC001568113096 1124309286 /nfs/dbraw/zinc/30/92/86/1124309286.db2.gz VDGACKXJMGZCFK-IYARVYRRSA-N 2 2 336.439 2.021 10 30 EEEELP C=CCOc1ccc(C[NH+]2CCN([C@H]3CCC[N@@H+](C)C3)CC2)cc1 ZINC000678256622 539985422 /nfs/dbraw/zinc/98/54/22/539985422.db2.gz JQRNFDVGSOWJBT-IBGZPJMESA-N 2 2 329.488 2.463 10 30 EEEELP C=CCOc1ccc(C[NH+]2CCN([C@H]3CCC[N@H+](C)C3)CC2)cc1 ZINC000678256622 539985426 /nfs/dbraw/zinc/98/54/26/539985426.db2.gz JQRNFDVGSOWJBT-IBGZPJMESA-N 2 2 329.488 2.463 10 30 EEEELP C=CCOCCCC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000080661061 201354590 /nfs/dbraw/zinc/35/45/90/201354590.db2.gz AFGWNVWIQHKYBN-UHFFFAOYSA-N 2 2 337.508 2.036 10 30 EEEELP C[C@H]([NH2+][C@@H]1CCCN(Cc2[nH+]ccn2C)C1=O)c1cccc(C#N)c1 ZINC000544016155 318178478 /nfs/dbraw/zinc/17/84/78/318178478.db2.gz WNWRKLOAUIWUGQ-WMLDXEAASA-N 2 2 337.427 2.134 10 30 EEEELP N#Cc1ccc(N2CC[C@@H]([NH2+]C[C@@H]3CCCn4cc[nH+]c43)C2=O)cc1 ZINC000089780993 462718522 /nfs/dbraw/zinc/71/85/22/462718522.db2.gz VPEUIVQMGIGOGU-DOTOQJQBSA-N 2 2 335.411 2.027 10 30 EEEELP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+](Cc2ccc(OCC#N)cc2)CC1 ZINC000264644908 464406482 /nfs/dbraw/zinc/40/64/82/464406482.db2.gz YRDJGZQVPAYVMJ-LJQANCHMSA-N 2 2 342.487 2.191 10 30 EEEELP C[N@H+]1CCCC[C@@H]1CN1CC[NH+](Cc2ccc(OCC#N)cc2)CC1 ZINC000264644908 464406486 /nfs/dbraw/zinc/40/64/86/464406486.db2.gz YRDJGZQVPAYVMJ-LJQANCHMSA-N 2 2 342.487 2.191 10 30 EEEELP N#Cc1ccc(C[NH+]2CCC([NH2+]CC[C@@H](O)C(F)(F)F)CC2)cc1 ZINC000349320837 466064543 /nfs/dbraw/zinc/06/45/43/466064543.db2.gz VZCRXSDQVAPCAF-MRXNPFEDSA-N 2 2 341.377 2.426 10 30 EEEELP CN(CC[NH+]1CCN(Cc2ccccc2)CC1)Cc1ccncc1C#N ZINC000592122348 468630459 /nfs/dbraw/zinc/63/04/59/468630459.db2.gz KWSXDXZKZMEZNP-UHFFFAOYSA-N 2 2 349.482 2.203 10 30 EEEELP C[N@H+](CCN1CC[NH+](Cc2ccccc2)CC1)Cc1ccncc1C#N ZINC000592122348 468630462 /nfs/dbraw/zinc/63/04/62/468630462.db2.gz KWSXDXZKZMEZNP-UHFFFAOYSA-N 2 2 349.482 2.203 10 30 EEEELP C[N@@H+](CCN1CC[NH+](Cc2ccccc2)CC1)Cc1ccncc1C#N ZINC000592122348 468630466 /nfs/dbraw/zinc/63/04/66/468630466.db2.gz KWSXDXZKZMEZNP-UHFFFAOYSA-N 2 2 349.482 2.203 10 30 EEEELP C[C@@H](C[NH2+]C[C@H](O)CC1(C#N)CCOCC1)[N@H+](C)Cc1ccccc1 ZINC000600724154 468636176 /nfs/dbraw/zinc/63/61/76/468636176.db2.gz FUDDSDDSFTWNGA-PKOBYXMFSA-N 2 2 345.487 2.168 10 30 EEEELP C[C@@H](C[NH2+]C[C@H](O)CC1(C#N)CCOCC1)[N@@H+](C)Cc1ccccc1 ZINC000600724154 468636181 /nfs/dbraw/zinc/63/61/81/468636181.db2.gz FUDDSDDSFTWNGA-PKOBYXMFSA-N 2 2 345.487 2.168 10 30 EEEELP C=CCC1(C(=O)Nc2cc(N3CC[NH+](C)CC3)cc[nH+]2)CCOCC1 ZINC000634193762 470230254 /nfs/dbraw/zinc/23/02/54/470230254.db2.gz IBEJCNNOWFOPEJ-UHFFFAOYSA-N 2 2 344.459 2.145 10 30 EEEELP C=C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000662087629 471980457 /nfs/dbraw/zinc/98/04/57/471980457.db2.gz GFYVBUQXNACASJ-CALCHBBNSA-N 2 2 329.444 2.107 10 30 EEEELP C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000662087629 471980462 /nfs/dbraw/zinc/98/04/62/471980462.db2.gz GFYVBUQXNACASJ-CALCHBBNSA-N 2 2 329.444 2.107 10 30 EEEELP COC(=O)CCC[NH+]1CCC([NH2+]Cc2ccc(OC)c(C#N)c2)CC1 ZINC000775632362 577441294 /nfs/dbraw/zinc/44/12/94/577441294.db2.gz YTEFNNRSWLGEDG-UHFFFAOYSA-N 2 2 345.443 2.074 10 30 EEEELP C=C(C)C[N@H+](C)C[C@@H]1CCCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001266460177 1176574616 /nfs/dbraw/zinc/57/46/16/1176574616.db2.gz XIQAGHLLNKMXIB-DLBZAZTESA-N 2 2 330.476 2.192 10 30 EEEELP C=C(C)C[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001266460177 1176574622 /nfs/dbraw/zinc/57/46/22/1176574622.db2.gz XIQAGHLLNKMXIB-DLBZAZTESA-N 2 2 330.476 2.192 10 30 EEEELP C=C(C)C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001691197544 1177701381 /nfs/dbraw/zinc/70/13/81/1177701381.db2.gz KHTHUDDFHUBJST-RBUKOAKNSA-N 2 2 338.455 2.434 10 30 EEEELP C=C(C)C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001691197544 1177701388 /nfs/dbraw/zinc/70/13/88/1177701388.db2.gz KHTHUDDFHUBJST-RBUKOAKNSA-N 2 2 338.455 2.434 10 30 EEEELP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](CC)Cc1ccc(F)cc1F ZINC001267243205 1178596323 /nfs/dbraw/zinc/59/63/23/1178596323.db2.gz OHBGTWBVQUSCBH-SFHVURJKSA-N 2 2 349.425 2.001 10 30 EEEELP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@H+](CC)Cc1ccc(F)cc1F ZINC001267243205 1178596328 /nfs/dbraw/zinc/59/63/28/1178596328.db2.gz OHBGTWBVQUSCBH-SFHVURJKSA-N 2 2 349.425 2.001 10 30 EEEELP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH+](CC)Cc1ccc(F)cc1F ZINC001267243205 1178596332 /nfs/dbraw/zinc/59/63/32/1178596332.db2.gz OHBGTWBVQUSCBH-SFHVURJKSA-N 2 2 349.425 2.001 10 30 EEEELP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](CC)Cc1ccc(F)cc1F ZINC001267243205 1178596337 /nfs/dbraw/zinc/59/63/37/1178596337.db2.gz OHBGTWBVQUSCBH-SFHVURJKSA-N 2 2 349.425 2.001 10 30 EEEELP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)CC[C@@H]1C(F)(F)F ZINC001691445873 1178831324 /nfs/dbraw/zinc/83/13/24/1178831324.db2.gz MRIDMVWNSUCFRD-KGLIPLIRSA-N 2 2 344.381 2.076 10 30 EEEELP CC#CC[N@H+](CCCNC(=O)c1cc([C@@H]2CCC[NH+]2C)n[nH]1)C(C)C ZINC001267500597 1179190914 /nfs/dbraw/zinc/19/09/14/1179190914.db2.gz AITGOVHKYNEJQG-SFHVURJKSA-N 2 2 345.491 2.030 10 30 EEEELP CC#CC[N@@H+](CCCNC(=O)c1cc([C@@H]2CCC[NH+]2C)n[nH]1)C(C)C ZINC001267500597 1179190919 /nfs/dbraw/zinc/19/09/19/1179190919.db2.gz AITGOVHKYNEJQG-SFHVURJKSA-N 2 2 345.491 2.030 10 30 EEEELP CC#CC[NH+](CCCNC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1)C(C)C ZINC001267500597 1179190925 /nfs/dbraw/zinc/19/09/25/1179190925.db2.gz AITGOVHKYNEJQG-SFHVURJKSA-N 2 2 345.491 2.030 10 30 EEEELP CC#CC[NH+](CCCNC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1)C(C)C ZINC001267500597 1179190935 /nfs/dbraw/zinc/19/09/35/1179190935.db2.gz AITGOVHKYNEJQG-SFHVURJKSA-N 2 2 345.491 2.030 10 30 EEEELP C=CCOCC[N@H+]1CCC[C@@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001267613382 1179816131 /nfs/dbraw/zinc/81/61/31/1179816131.db2.gz GPYPLTRFLJTRHV-QGZVFWFLSA-N 2 2 342.443 2.040 10 30 EEEELP C=CCOCC[N@@H+]1CCC[C@@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001267613382 1179816136 /nfs/dbraw/zinc/81/61/36/1179816136.db2.gz GPYPLTRFLJTRHV-QGZVFWFLSA-N 2 2 342.443 2.040 10 30 EEEELP C=C(C)C[NH2+][C@@H](C)C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001481339850 1181069743 /nfs/dbraw/zinc/06/97/43/1181069743.db2.gz DUNBCBUYPKKAMC-USXIJHARSA-N 2 2 330.476 2.316 10 30 EEEELP CC(C)[C@@H](CNC(=O)CCc1c[nH]c[nH+]1)[NH2+]CC#Cc1ccccc1 ZINC001482530987 1186523971 /nfs/dbraw/zinc/52/39/71/1186523971.db2.gz BAQRPKZNVXNQKC-LJQANCHMSA-N 2 2 338.455 2.124 10 30 EEEELP CC(C)[C@@H](CNC(=O)CCc1c[nH+]c[nH]1)[NH2+]CC#Cc1ccccc1 ZINC001482530987 1186523978 /nfs/dbraw/zinc/52/39/78/1186523978.db2.gz BAQRPKZNVXNQKC-LJQANCHMSA-N 2 2 338.455 2.124 10 30 EEEELP C=CCCCCC[N@@H+]1C[C@H]2CN(C(=O)Cc3[nH]c[nH+]c3C)C[C@H]2C1 ZINC001271892765 1186586278 /nfs/dbraw/zinc/58/62/78/1186586278.db2.gz WFNHFSBADHXKJW-CALCHBBNSA-N 2 2 330.476 2.397 10 30 EEEELP C=CCCCCC[N@H+]1C[C@H]2CN(C(=O)Cc3[nH]c[nH+]c3C)C[C@H]2C1 ZINC001271892765 1186586286 /nfs/dbraw/zinc/58/62/86/1186586286.db2.gz WFNHFSBADHXKJW-CALCHBBNSA-N 2 2 330.476 2.397 10 30 EEEELP C=C(C)C[NH2+]C1(CC)CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC001484813374 1191533856 /nfs/dbraw/zinc/53/38/56/1191533856.db2.gz ORFWFLVQENSNDP-MRXNPFEDSA-N 2 2 330.476 2.382 10 30 EEEELP C=CC(C)(C)CCCNC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000872902998 1198437798 /nfs/dbraw/zinc/43/77/98/1198437798.db2.gz JDOLAWNUAWYPEM-MRXNPFEDSA-N 2 2 336.524 2.447 10 30 EEEELP C=CC(C)(C)CCCNC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000872902998 1198437805 /nfs/dbraw/zinc/43/78/05/1198437805.db2.gz JDOLAWNUAWYPEM-MRXNPFEDSA-N 2 2 336.524 2.447 10 30 EEEELP C=C(Cl)C[C@H]([NH3+])C(=O)NCC[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000876906612 1199814722 /nfs/dbraw/zinc/81/47/22/1199814722.db2.gz DEOKYEGPVZCYCA-HNNXBMFYSA-N 2 2 342.270 2.284 10 30 EEEELP C=C(Cl)C[C@H]([NH3+])C(=O)NCC[N@H+]1CCc2c(Cl)cccc2C1 ZINC000876906612 1199814726 /nfs/dbraw/zinc/81/47/26/1199814726.db2.gz DEOKYEGPVZCYCA-HNNXBMFYSA-N 2 2 342.270 2.284 10 30 EEEELP C=CCC[NH2+][C@H]1CN(C(=O)Cc2cn3cccc(C)c3[nH+]2)C[C@H]1C ZINC001274271729 1204982215 /nfs/dbraw/zinc/98/22/15/1204982215.db2.gz XBSULMWAAMWPGH-WBVHZDCISA-N 2 2 326.444 2.198 10 30 EEEELP C=CCCC[NH2+]C1(C)CCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC001274351552 1205004674 /nfs/dbraw/zinc/00/46/74/1205004674.db2.gz SJHHLFTYQHMHOF-INIZCTEOSA-N 2 2 330.476 2.382 10 30 EEEELP C#CCN(C(=O)[C@@H]1CCCC[N@H+]1C)C1CC[NH+](CC(=C)Cl)CC1 ZINC001278176960 1306181058 /nfs/dbraw/zinc/18/10/58/1306181058.db2.gz FSVJWLPZBQNUBU-KRWDZBQOSA-N 2 2 337.895 2.149 10 30 EEEELP C#CCN(C(=O)[C@@H]1CCCC[N@@H+]1C)C1CC[NH+](CC(=C)Cl)CC1 ZINC001278176960 1306181069 /nfs/dbraw/zinc/18/10/69/1306181069.db2.gz FSVJWLPZBQNUBU-KRWDZBQOSA-N 2 2 337.895 2.149 10 30 EEEELP C#CCN(C(=O)CC[NH+](C)C)C1CC[NH+](C/C(Cl)=C\Cl)CC1 ZINC001278177375 1306183487 /nfs/dbraw/zinc/18/34/87/1306183487.db2.gz PXRGYFWMXZFPES-WYMLVPIESA-N 2 2 346.302 2.183 10 30 EEEELP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCCCCF ZINC001278309635 1309274546 /nfs/dbraw/zinc/27/45/46/1309274546.db2.gz HDAYJPXSAQRKLH-QYZOEREBSA-N 2 2 349.494 2.289 10 30 EEEELP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CCCCCF ZINC001278309635 1309274550 /nfs/dbraw/zinc/27/45/50/1309274550.db2.gz HDAYJPXSAQRKLH-QYZOEREBSA-N 2 2 349.494 2.289 10 30 EEEELP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2CCCCCF ZINC001278309635 1309274554 /nfs/dbraw/zinc/27/45/54/1309274554.db2.gz HDAYJPXSAQRKLH-QYZOEREBSA-N 2 2 349.494 2.289 10 30 EEEELP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2CCCCCF ZINC001278309635 1309274559 /nfs/dbraw/zinc/27/45/59/1309274559.db2.gz HDAYJPXSAQRKLH-QYZOEREBSA-N 2 2 349.494 2.289 10 30 EEEELP C#CCC[NH2+]C[C@@H]1CCCCN1C(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001281868361 1325493856 /nfs/dbraw/zinc/49/38/56/1325493856.db2.gz KZDCKLWUEIFLFA-ROUUACIJSA-N 2 2 330.476 2.464 10 30 EEEELP CC#CC[NH2+]C[C@H]1CCCCN1C(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001317189272 1332122679 /nfs/dbraw/zinc/12/26/79/1332122679.db2.gz IPSRPCBLZPEHME-QZTJIDSGSA-N 2 2 330.476 2.464 10 30 EEEELP C=C(C)C[N@H+]1CC[C@@H](N(CCC)C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001317761741 1332399989 /nfs/dbraw/zinc/39/99/89/1332399989.db2.gz ORIREONRSUQEJS-FUHWJXTLSA-N 2 2 330.476 2.335 10 30 EEEELP C=C(C)C[N@@H+]1CC[C@@H](N(CCC)C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001317761741 1332399991 /nfs/dbraw/zinc/39/99/91/1332399991.db2.gz ORIREONRSUQEJS-FUHWJXTLSA-N 2 2 330.476 2.335 10 30 EEEELP CC[C@H](CNC(=O)[C@H](C)Cc1c[nH]c[nH+]1)[NH2+]CC#Cc1ccccc1 ZINC001318582568 1332563291 /nfs/dbraw/zinc/56/32/91/1332563291.db2.gz KHANFOGXZJBTAQ-SJLPKXTDSA-N 2 2 338.455 2.124 10 30 EEEELP C#CC[NH+]1CCC[C@H]1C(=O)N(C)CC[N@H+](C)Cc1ccccc1Cl ZINC001320008373 1332809636 /nfs/dbraw/zinc/80/96/36/1332809636.db2.gz HRMCKTGFKMLSNJ-SFHVURJKSA-N 2 2 347.890 2.328 10 30 EEEELP C#CC[NH+]1CCC[C@H]1C(=O)N(C)CC[N@@H+](C)Cc1ccccc1Cl ZINC001320008373 1332809639 /nfs/dbraw/zinc/80/96/39/1332809639.db2.gz HRMCKTGFKMLSNJ-SFHVURJKSA-N 2 2 347.890 2.328 10 30 EEEELP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH+](C)Cc1ccccc1Cl ZINC001320008373 1332809641 /nfs/dbraw/zinc/80/96/41/1332809641.db2.gz HRMCKTGFKMLSNJ-SFHVURJKSA-N 2 2 347.890 2.328 10 30 EEEELP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH+](C)Cc1ccccc1Cl ZINC001320008373 1332809642 /nfs/dbraw/zinc/80/96/42/1332809642.db2.gz HRMCKTGFKMLSNJ-SFHVURJKSA-N 2 2 347.890 2.328 10 30 EEEELP C#CCN(C(=O)c1cc2c[nH+]ccc2[nH]1)C1CC[NH+](CCF)CC1 ZINC001324396990 1333674142 /nfs/dbraw/zinc/67/41/42/1333674142.db2.gz SIYTUIHQPSCQGH-UHFFFAOYSA-N 2 2 328.391 2.072 10 30 EEEELP C=C(C)C[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)Cn1c[nH+]cc1C ZINC001328470546 1334464505 /nfs/dbraw/zinc/46/45/05/1334464505.db2.gz XMJGBMMNJIYJJP-IBGZPJMESA-N 2 2 338.455 2.483 10 30 EEEELP C=C(C)C[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)Cn1c[nH+]cc1C ZINC001328470546 1334464506 /nfs/dbraw/zinc/46/45/06/1334464506.db2.gz XMJGBMMNJIYJJP-IBGZPJMESA-N 2 2 338.455 2.483 10 30 EEEELP C[C@H](CCC[NH2+]Cc1ccc(C#N)c(F)c1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001330926409 1334928222 /nfs/dbraw/zinc/92/82/22/1334928222.db2.gz KZAWWYIPXIYDOB-CYBMUJFWSA-N 2 2 343.406 2.038 10 30 EEEELP C=CCCC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)Cc3[nH]c[nH+]c3C)C[C@H]21 ZINC001332146095 1335743521 /nfs/dbraw/zinc/74/35/21/1335743521.db2.gz LKMKRNYJVLEJQM-BRWVUGGUSA-N 2 2 330.476 2.444 10 30 EEEELP C#CC[NH+]1CCC([NH2+]C[C@H](O)COc2ccc3ccccc3c2)CC1 ZINC001335412248 1336372387 /nfs/dbraw/zinc/37/23/87/1336372387.db2.gz LOZQPPKOULRNEX-FQEVSTJZSA-N 2 2 338.451 2.267 10 30 EEEELP C#CC[NH+]1CCC([NH2+]C[C@@H](O)c2ccc(C(F)(F)F)cc2)CC1 ZINC001338505624 1336869766 /nfs/dbraw/zinc/86/97/66/1336869766.db2.gz RCERPYCQNQOWTO-MRXNPFEDSA-N 2 2 326.362 2.426 10 30 EEEELP C=CCCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001566753206 1342623966 /nfs/dbraw/zinc/62/39/66/1342623966.db2.gz CDKFDNCDDKJSKJ-ZACQAIPSSA-N 2 2 328.460 2.087 10 30 EEEELP C=CCCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001566753206 1342623967 /nfs/dbraw/zinc/62/39/67/1342623967.db2.gz CDKFDNCDDKJSKJ-ZACQAIPSSA-N 2 2 328.460 2.087 10 30 EEEELP CC#CC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001664817329 1355234343 /nfs/dbraw/zinc/23/43/43/1355234343.db2.gz FXDLYHXXAJNBAD-QZTJIDSGSA-N 2 2 330.476 2.274 10 30 EEEELP CC#CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001664817329 1355234348 /nfs/dbraw/zinc/23/43/48/1355234348.db2.gz FXDLYHXXAJNBAD-QZTJIDSGSA-N 2 2 330.476 2.274 10 30 EEEELP C=CCCC[NH2+][C@@H](C)[C@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)CCO1 ZINC001675597581 1357011322 /nfs/dbraw/zinc/01/13/22/1357011322.db2.gz BSPSIOLVXOQTOV-KBXCAEBGSA-N 2 2 342.443 2.348 10 30 EEEELP C=CCC[NH2+][C@H]1CCCCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001692128847 1404988763 /nfs/dbraw/zinc/98/87/63/1404988763.db2.gz LAQFQTUXIJKGGR-GVDBMIGSSA-N 2 2 330.476 2.461 10 30 EEEELP C=CCC[C@H](C)[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CCn4c[nH+]cc4C3)C[C@H]2C1 ZINC001699989120 1405639537 /nfs/dbraw/zinc/63/95/37/1405639537.db2.gz FCIHRLOUMZCOES-XWTMOSNGSA-N 2 2 342.487 2.190 10 30 EEEELP C=CCC[C@H](C)[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CCn4c[nH+]cc4C3)C[C@H]2C1 ZINC001699989120 1405639546 /nfs/dbraw/zinc/63/95/46/1405639546.db2.gz FCIHRLOUMZCOES-XWTMOSNGSA-N 2 2 342.487 2.190 10 30 EEEELP C=C(Cl)C[N@@H+]1CC[C@@H](CCNC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001437941899 1090536027 /nfs/dbraw/zinc/53/60/27/1090536027.db2.gz XJLZOXHOIJDXCN-HUUCEWRRSA-N 2 2 336.867 2.026 10 30 EEEELP C=C(Cl)C[N@H+]1CC[C@@H](CCNC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001437941899 1090536031 /nfs/dbraw/zinc/53/60/31/1090536031.db2.gz XJLZOXHOIJDXCN-HUUCEWRRSA-N 2 2 336.867 2.026 10 30 EEEELP C=C(C)C[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[N@H+](C)CCc1ccccc1 ZINC001480099926 1099665237 /nfs/dbraw/zinc/66/52/37/1099665237.db2.gz OSARQSIHWZIQNO-BGYRXZFFSA-N 2 2 341.499 2.412 10 30 EEEELP C=C(C)C[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[N@@H+](C)CCc1ccccc1 ZINC001480099926 1099665246 /nfs/dbraw/zinc/66/52/46/1099665246.db2.gz OSARQSIHWZIQNO-BGYRXZFFSA-N 2 2 341.499 2.412 10 30 EEEELP C=C(C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[NH+](C)CCc1ccccc1 ZINC001480099926 1099665250 /nfs/dbraw/zinc/66/52/50/1099665250.db2.gz OSARQSIHWZIQNO-BGYRXZFFSA-N 2 2 341.499 2.412 10 30 EEEELP C=C(C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[NH+](C)CCc1ccccc1 ZINC001480099926 1099665258 /nfs/dbraw/zinc/66/52/58/1099665258.db2.gz OSARQSIHWZIQNO-BGYRXZFFSA-N 2 2 341.499 2.412 10 30 EEEELP CC#CC[NH2+]C[C@]1(NC(=O)CCCn2cc[nH+]c2)CCCC[C@@H]1C ZINC001495331848 1101040412 /nfs/dbraw/zinc/04/04/12/1101040412.db2.gz GZDZTXGCXAPLKR-PKOBYXMFSA-N 2 2 330.476 2.341 10 30 EEEELP C[C@H](CC[NH2+]CC#Cc1ccc(Cl)cc1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001497298450 1102276197 /nfs/dbraw/zinc/27/61/97/1102276197.db2.gz ORBBWSOEVIGIBQ-CQSZACIVSA-N 2 2 344.846 2.142 10 30 EEEELP C=CCC[C@H](C)[N@@H+]1CCO[C@]2(CCN(C(=O)CCc3c[nH]c[nH+]3)C2)C1 ZINC001506723111 1114833123 /nfs/dbraw/zinc/83/31/23/1114833123.db2.gz RHZAIFHJNBTYQT-QFBILLFUSA-N 2 2 346.475 2.000 10 30 EEEELP C=CCC[C@H](C)[N@H+]1CCO[C@]2(CCN(C(=O)CCc3c[nH]c[nH+]3)C2)C1 ZINC001506723111 1114833126 /nfs/dbraw/zinc/83/31/26/1114833126.db2.gz RHZAIFHJNBTYQT-QFBILLFUSA-N 2 2 346.475 2.000 10 30 EEEELP C=CCC[C@H](C)[N@@H+]1CCO[C@]2(CCN(C(=O)CCc3c[nH+]c[nH]3)C2)C1 ZINC001506723111 1114833130 /nfs/dbraw/zinc/83/31/30/1114833130.db2.gz RHZAIFHJNBTYQT-QFBILLFUSA-N 2 2 346.475 2.000 10 30 EEEELP C=CCC[C@H](C)[N@H+]1CCO[C@]2(CCN(C(=O)CCc3c[nH+]c[nH]3)C2)C1 ZINC001506723111 1114833132 /nfs/dbraw/zinc/83/31/32/1114833132.db2.gz RHZAIFHJNBTYQT-QFBILLFUSA-N 2 2 346.475 2.000 10 30 EEEELP C=CCCC[N@H+]1C[C@@]2(C)CN(C(=O)Cc3c[nH+]cn3C)C[C@@]2(C)C1 ZINC001506870363 1114940885 /nfs/dbraw/zinc/94/08/85/1114940885.db2.gz MBPQPUKCWWASMX-KDURUIRLSA-N 2 2 330.476 2.099 10 30 EEEELP C=CCCC[N@@H+]1C[C@@]2(C)CN(C(=O)Cc3c[nH+]cn3C)C[C@@]2(C)C1 ZINC001506870363 1114940887 /nfs/dbraw/zinc/94/08/87/1114940887.db2.gz MBPQPUKCWWASMX-KDURUIRLSA-N 2 2 330.476 2.099 10 30 EEEELP C=C(Cl)C[NH2+][C@H](CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C(C)C ZINC001506990125 1115035581 /nfs/dbraw/zinc/03/55/81/1115035581.db2.gz QTXMUDGEFQXOHH-RBSFLKMASA-N 2 2 338.883 2.397 10 30 EEEELP C=C(C)CC[NH2+][C@H]1C[C@H](CNC(=O)c2cc([C@H]3CCC[N@H+]3C)n[nH]2)C1 ZINC001565866031 1125442981 /nfs/dbraw/zinc/44/29/81/1125442981.db2.gz VWKBZIBMUCTIRT-IIDMSEBBSA-N 2 2 345.491 2.241 10 30 EEEELP C=C(C)CC[NH2+][C@H]1C[C@H](CNC(=O)c2cc([C@H]3CCC[N@@H+]3C)n[nH]2)C1 ZINC001565866031 1125442987 /nfs/dbraw/zinc/44/29/87/1125442987.db2.gz VWKBZIBMUCTIRT-IIDMSEBBSA-N 2 2 345.491 2.241 10 30 EEEELP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[NH+]2CCC(C#N)CC2)CC1 ZINC000104949490 237087131 /nfs/dbraw/zinc/08/71/31/237087131.db2.gz WGLSHPJEBBKVHZ-QGZVFWFLSA-N 2 2 340.471 2.127 10 30 EEEELP C[C@H]([NH2+][C@@H]1CCCN(Cc2[nH+]ccn2C)C1=O)c1ccc(C#N)cc1 ZINC000543084350 318150266 /nfs/dbraw/zinc/15/02/66/318150266.db2.gz GJGRZIRRZDMAAZ-WMLDXEAASA-N 2 2 337.427 2.134 10 30 EEEELP O=C(C[N@@H+]1CCC[C@@H]1C(=O)NC1CC1)NC1CC[NH+](C2CC2)CC1 ZINC000329110873 465235932 /nfs/dbraw/zinc/23/59/32/465235932.db2.gz QOKNUUSWFJWIRV-MRXNPFEDSA-N 2 2 334.464 2.153 10 30 EEEELP O=C(C[N@H+]1CCC[C@@H]1C(=O)NC1CC1)NC1CC[NH+](C2CC2)CC1 ZINC000329110873 465235937 /nfs/dbraw/zinc/23/59/37/465235937.db2.gz QOKNUUSWFJWIRV-MRXNPFEDSA-N 2 2 334.464 2.153 10 30 EEEELP Cc1cn2c([nH+]1)[C@H](CNC(=O)N1CC[C@@H]3CC[N@@H+](C)C[C@@H]31)CCC2 ZINC000329303805 465294094 /nfs/dbraw/zinc/29/40/94/465294094.db2.gz XQPIOBWRAYOVTN-JYJNAYRXSA-N 2 2 331.464 2.009 10 30 EEEELP Cc1cn2c([nH+]1)[C@H](CNC(=O)N1CC[C@@H]3CC[N@H+](C)C[C@@H]31)CCC2 ZINC000329303805 465294099 /nfs/dbraw/zinc/29/40/99/465294099.db2.gz XQPIOBWRAYOVTN-JYJNAYRXSA-N 2 2 331.464 2.009 10 30 EEEELP COc1cc(C#N)ccc1C[N@@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000182896007 464751796 /nfs/dbraw/zinc/75/17/96/464751796.db2.gz DYNKTGLHZKUDJY-LJQANCHMSA-N 2 2 342.487 2.169 10 30 EEEELP COc1cc(C#N)ccc1C[N@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000182896007 464751806 /nfs/dbraw/zinc/75/18/06/464751806.db2.gz DYNKTGLHZKUDJY-LJQANCHMSA-N 2 2 342.487 2.169 10 30 EEEELP C=CCNC(=O)C[NH+]1CCN(c2c(C)c(C)[nH+]c3ccccc32)CC1 ZINC000343501248 465520611 /nfs/dbraw/zinc/52/06/11/465520611.db2.gz CBQRTAZEQAGYFU-UHFFFAOYSA-N 2 2 338.455 2.276 10 30 EEEELP N#CC1(NC(=O)CCc2c[nH+]c[nH]2)CC[NH+](Cc2ccccc2)CC1 ZINC000366398728 465703080 /nfs/dbraw/zinc/70/30/80/465703080.db2.gz JRFBGAXEIKKPFX-UHFFFAOYSA-N 2 2 337.427 2.017 10 30 EEEELP N#CC1(NC(=O)CCc2c[nH]c[nH+]2)CC[NH+](Cc2ccccc2)CC1 ZINC000366398728 465703084 /nfs/dbraw/zinc/70/30/84/465703084.db2.gz JRFBGAXEIKKPFX-UHFFFAOYSA-N 2 2 337.427 2.017 10 30 EEEELP COC(=O)CCC[NH+]1CCC([NH2+]Cc2ccc(C#N)c(OC)c2)CC1 ZINC000361142875 465795457 /nfs/dbraw/zinc/79/54/57/465795457.db2.gz KMNDIPAMHNKALT-UHFFFAOYSA-N 2 2 345.443 2.074 10 30 EEEELP C=C(C)C[NH+]1CCC(NC(=O)N2CCC(c3c[nH+]c[nH]3)CC2)CC1 ZINC000370225967 466804105 /nfs/dbraw/zinc/80/41/05/466804105.db2.gz AHZQITJBHUUDFQ-UHFFFAOYSA-N 2 2 331.464 2.339 10 30 EEEELP C[N@@H+]1CCN(Cc2ccccc2)[C@H](C[NH2+][C@H]2CCC[C@H](C#N)C2)C1 ZINC000595099467 468757771 /nfs/dbraw/zinc/75/77/71/468757771.db2.gz MJKYEOQMSRJDAH-SLFFLAALSA-N 2 2 326.488 2.475 10 30 EEEELP C[N@H+]1CCN(Cc2ccccc2)[C@H](C[NH2+][C@H]2CCC[C@H](C#N)C2)C1 ZINC000595099467 468757773 /nfs/dbraw/zinc/75/77/73/468757773.db2.gz MJKYEOQMSRJDAH-SLFFLAALSA-N 2 2 326.488 2.475 10 30 EEEELP Cc1cc(NCC[NH+]2CCC([NH+](C)C)CC2)cc(C#N)c1[N+](=O)[O-] ZINC000596152416 469177218 /nfs/dbraw/zinc/17/72/18/469177218.db2.gz XGTFYMBPNNNXOR-UHFFFAOYSA-N 2 2 331.420 2.213 10 30 EEEELP Cc1cn(C(C)(C)C(=O)N(C)CC[NH2+]Cc2ccc(C#N)cc2)c[nH+]1 ZINC001266739184 1177328679 /nfs/dbraw/zinc/32/86/79/1177328679.db2.gz WWRUREWTKYGJEP-UHFFFAOYSA-N 2 2 339.443 2.047 10 30 EEEELP C#CCC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001266889471 1177718632 /nfs/dbraw/zinc/71/86/32/1177718632.db2.gz DOZHBJRFXUTPSV-SJORKVTESA-N 2 2 342.487 2.002 10 30 EEEELP C#CCC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001266889471 1177718636 /nfs/dbraw/zinc/71/86/36/1177718636.db2.gz DOZHBJRFXUTPSV-SJORKVTESA-N 2 2 342.487 2.002 10 30 EEEELP CC#CC[NH2+][C@@H](CNC(=O)Cn1cc[nH+]c1)c1ccc(C(C)C)cc1 ZINC001267517232 1179239834 /nfs/dbraw/zinc/23/98/34/1179239834.db2.gz KBHICYYRGLTRHL-IBGZPJMESA-N 2 2 338.455 2.477 10 30 EEEELP C=C(C)C[N@H+]1CC[C@H](N(CC)C(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001481768568 1182654523 /nfs/dbraw/zinc/65/45/23/1182654523.db2.gz KHYIOAAYENJDNI-KRWDZBQOSA-N 2 2 330.476 2.261 10 30 EEEELP C=C(C)C[N@@H+]1CC[C@H](N(CC)C(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001481768568 1182654526 /nfs/dbraw/zinc/65/45/26/1182654526.db2.gz KHYIOAAYENJDNI-KRWDZBQOSA-N 2 2 330.476 2.261 10 30 EEEELP C=CCC[NH2+]C[C@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C1CCCC1 ZINC001270431740 1185095029 /nfs/dbraw/zinc/09/50/29/1185095029.db2.gz ORPJROGZAVREEB-ZACQAIPSSA-N 2 2 330.476 2.364 10 30 EEEELP CC#CC[N@@H+]1CCC[C@@](C)(CNC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001270957950 1185772178 /nfs/dbraw/zinc/77/21/78/1185772178.db2.gz DIRKPJRIMHPDDK-FQEVSTJZSA-N 2 2 342.487 2.004 10 30 EEEELP CC#CC[N@H+]1CCC[C@@](C)(CNC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001270957950 1185772180 /nfs/dbraw/zinc/77/21/80/1185772180.db2.gz DIRKPJRIMHPDDK-FQEVSTJZSA-N 2 2 342.487 2.004 10 30 EEEELP C=CCCCCC[NH+]1CC2(C1)CN(C(=O)[C@@H]1CCCC[N@H+]1C)CCO2 ZINC001273623335 1281570129 /nfs/dbraw/zinc/57/01/29/1281570129.db2.gz DMXQBZVCNRSIAP-SFHVURJKSA-N 2 2 349.519 2.130 10 30 EEEELP C=CCCCCC[NH+]1CC2(C1)CN(C(=O)[C@@H]1CCCC[N@@H+]1C)CCO2 ZINC001273623335 1281570137 /nfs/dbraw/zinc/57/01/37/1281570137.db2.gz DMXQBZVCNRSIAP-SFHVURJKSA-N 2 2 349.519 2.130 10 30 EEEELP C#CC[NH+]1CCC([NH2+]C[C@H](O)COc2c(C)ccc(C)c2C)CC1 ZINC001120500813 1309578204 /nfs/dbraw/zinc/57/82/04/1309578204.db2.gz RFJLIEKINUIPFP-IBGZPJMESA-N 2 2 330.472 2.039 10 30 EEEELP C=C(C)Cn1c([C@@H]2CCC[NH+]2C)nnc1N1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC001263301867 1322455988 /nfs/dbraw/zinc/45/59/88/1322455988.db2.gz ZQEZVURPMAMWGH-ZACQAIPSSA-N 2 2 344.507 2.151 10 30 EEEELP C=C(C)Cn1c([C@@H]2CCC[NH+]2C)nnc1N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC001263301867 1322455990 /nfs/dbraw/zinc/45/59/90/1322455990.db2.gz ZQEZVURPMAMWGH-ZACQAIPSSA-N 2 2 344.507 2.151 10 30 EEEELP C=C(C)Cn1c([C@@H]2CCC[N@@H+]2C)nnc1N1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC001263301867 1322455992 /nfs/dbraw/zinc/45/59/92/1322455992.db2.gz ZQEZVURPMAMWGH-ZACQAIPSSA-N 2 2 344.507 2.151 10 30 EEEELP C=C(C)Cn1c([C@@H]2CCC[N@H+]2C)nnc1N1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC001263301867 1322455995 /nfs/dbraw/zinc/45/59/95/1322455995.db2.gz ZQEZVURPMAMWGH-ZACQAIPSSA-N 2 2 344.507 2.151 10 30 EEEELP C=C(Cl)C[N@H+](CCCNC(=O)[C@@H]1CCn2c[nH+]cc2C1)C1CC1 ZINC001265165787 1322960817 /nfs/dbraw/zinc/96/08/17/1322960817.db2.gz GXOBRFCDLQDEIL-CQSZACIVSA-N 2 2 336.867 2.169 10 30 EEEELP C=C(Cl)C[N@@H+](CCCNC(=O)[C@@H]1CCn2c[nH+]cc2C1)C1CC1 ZINC001265165787 1322960819 /nfs/dbraw/zinc/96/08/19/1322960819.db2.gz GXOBRFCDLQDEIL-CQSZACIVSA-N 2 2 336.867 2.169 10 30 EEEELP C=C(C)CC[N@H+](C)CCCNC(=O)[C@H]1COCC[NH+]1C1CCCC1 ZINC001316844474 1331929406 /nfs/dbraw/zinc/92/94/06/1331929406.db2.gz QQWSTNMPNJHNIC-GOSISDBHSA-N 2 2 337.508 2.034 10 30 EEEELP C=C(C)CC[N@@H+](C)CCCNC(=O)[C@H]1COCC[NH+]1C1CCCC1 ZINC001316844474 1331929409 /nfs/dbraw/zinc/92/94/09/1331929409.db2.gz QQWSTNMPNJHNIC-GOSISDBHSA-N 2 2 337.508 2.034 10 30 EEEELP C=C(C)CC[NH+](C)CCCNC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC001316844474 1331929411 /nfs/dbraw/zinc/92/94/11/1331929411.db2.gz QQWSTNMPNJHNIC-GOSISDBHSA-N 2 2 337.508 2.034 10 30 EEEELP C=C(C)CC[NH+](C)CCCNC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC001316844474 1331929413 /nfs/dbraw/zinc/92/94/13/1331929413.db2.gz QQWSTNMPNJHNIC-GOSISDBHSA-N 2 2 337.508 2.034 10 30 EEEELP CCCCCCC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001318456495 1332540663 /nfs/dbraw/zinc/54/06/63/1332540663.db2.gz BSSWGJVPWLXVAU-MSOLQXFVSA-N 2 2 339.524 2.210 10 30 EEEELP CCCCCCC[N@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001318456495 1332540666 /nfs/dbraw/zinc/54/06/66/1332540666.db2.gz BSSWGJVPWLXVAU-MSOLQXFVSA-N 2 2 339.524 2.210 10 30 EEEELP CCCCCCC[NH+]1CC[C@@H](N(CC)C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001318456495 1332540667 /nfs/dbraw/zinc/54/06/67/1332540667.db2.gz BSSWGJVPWLXVAU-MSOLQXFVSA-N 2 2 339.524 2.210 10 30 EEEELP CCCCCCC[NH+]1CC[C@@H](N(CC)C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001318456495 1332540670 /nfs/dbraw/zinc/54/06/70/1332540670.db2.gz BSSWGJVPWLXVAU-MSOLQXFVSA-N 2 2 339.524 2.210 10 30 EEEELP C=CCCC[NH2+]CC1(NC(=O)[C@@H]2CCc3[nH+]ccn3C2)CCCC1 ZINC001318643345 1332571891 /nfs/dbraw/zinc/57/18/91/1332571891.db2.gz UQAQBGQCDNQGDT-MRXNPFEDSA-N 2 2 330.476 2.430 10 30 EEEELP C=C(C)CC[NH2+]C1(CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)CCCC1 ZINC001319362964 1332690657 /nfs/dbraw/zinc/69/06/57/1332690657.db2.gz MTYVPUXJGHQLQP-MRXNPFEDSA-N 2 2 330.476 2.430 10 30 EEEELP C=CCC[C@@H](C)[N@H+]1C[C@H]2CN(C(=O)[C@H]3CCc4c[nH+]cn4C3)C[C@H]2C1 ZINC001325752665 1333953677 /nfs/dbraw/zinc/95/36/77/1333953677.db2.gz DNNXNQUGQMWMBY-XDNAFOTISA-N 2 2 342.487 2.190 10 30 EEEELP C=CCC[C@@H](C)[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CCc4c[nH+]cn4C3)C[C@H]2C1 ZINC001325752665 1333953680 /nfs/dbraw/zinc/95/36/80/1333953680.db2.gz DNNXNQUGQMWMBY-XDNAFOTISA-N 2 2 342.487 2.190 10 30 EEEELP C[C@@H](NC(=O)Cc1c[nH]c[nH+]1)[C@H](C)[NH2+]CC#Cc1ccc(Cl)cc1 ZINC001329133081 1334592285 /nfs/dbraw/zinc/59/22/85/1334592285.db2.gz RJXRGJCKSXAVCA-UONOGXRCSA-N 2 2 344.846 2.140 10 30 EEEELP CC#CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001502532058 1342204086 /nfs/dbraw/zinc/20/40/86/1342204086.db2.gz JCCIWMJIGCRFAV-PMACEKPBSA-N 2 2 341.499 2.139 10 30 EEEELP CC#CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001502532058 1342204092 /nfs/dbraw/zinc/20/40/92/1342204092.db2.gz JCCIWMJIGCRFAV-PMACEKPBSA-N 2 2 341.499 2.139 10 30 EEEELP CC#CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001569442546 1342870905 /nfs/dbraw/zinc/87/09/05/1342870905.db2.gz YPRUYYVKRYQWEH-UNPWZGGWSA-N 2 2 328.460 2.113 10 30 EEEELP CC#CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001569442546 1342870907 /nfs/dbraw/zinc/87/09/07/1342870907.db2.gz YPRUYYVKRYQWEH-UNPWZGGWSA-N 2 2 328.460 2.113 10 30 EEEELP C#CCC[NH2+]CC(C)(C)CN(C)C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001570673560 1343100244 /nfs/dbraw/zinc/10/02/44/1343100244.db2.gz GHWWEMILTHEZFG-UHFFFAOYSA-N 2 2 326.444 2.354 10 30 EEEELP CC#CC[N@@H+]1C[C@H](NC(=O)[C@H](CC(C)C)n2cc[nH+]c2)C(C)(C)C1 ZINC001570897349 1343133612 /nfs/dbraw/zinc/13/36/12/1343133612.db2.gz PQDSEJIBDWWALE-IRXDYDNUSA-N 2 2 330.476 2.320 10 30 EEEELP CC#CC[N@H+]1C[C@H](NC(=O)[C@H](CC(C)C)n2cc[nH+]c2)C(C)(C)C1 ZINC001570897349 1343133623 /nfs/dbraw/zinc/13/36/23/1343133623.db2.gz PQDSEJIBDWWALE-IRXDYDNUSA-N 2 2 330.476 2.320 10 30 EEEELP C=C(C)C[NH2+]C[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CC[C@@H]1C(F)(F)F ZINC001656668738 1354262295 /nfs/dbraw/zinc/26/22/95/1354262295.db2.gz GXGHDPWQGZVFGR-STQMWFEESA-N 2 2 344.381 2.145 10 30 EEEELP C#CC[N@@H+]1CC[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C(C)(C)C1 ZINC000940923101 779550457 /nfs/dbraw/zinc/55/04/57/779550457.db2.gz XWKQJAJHHPFVIB-GOSISDBHSA-N 2 2 336.439 2.336 10 30 EEEELP C#CC[N@H+]1CC[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C(C)(C)C1 ZINC000940923101 779550462 /nfs/dbraw/zinc/55/04/62/779550462.db2.gz XWKQJAJHHPFVIB-GOSISDBHSA-N 2 2 336.439 2.336 10 30 EEEELP C=C(Cl)C[NH2+]C[C@H](CCCC)NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001441123495 1094446340 /nfs/dbraw/zinc/44/63/40/1094446340.db2.gz WJUVZMSDPCLUEP-GJZGRUSLSA-N 2 2 338.883 2.463 10 30 EEEELP C=C(Cl)C[NH2+]C[C@@H](CCCC)NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001441123499 1094447005 /nfs/dbraw/zinc/44/70/05/1094447005.db2.gz WJUVZMSDPCLUEP-LSDHHAIUSA-N 2 2 338.883 2.463 10 30 EEEELP C#CCN(C(=O)C[C@@H](C)n1cc[nH+]c1CC)C1CC[NH+](CCF)CC1 ZINC001500037271 1112587496 /nfs/dbraw/zinc/58/74/96/1112587496.db2.gz DBBSYWAYZCJJHJ-MRXNPFEDSA-N 2 2 348.466 2.292 10 30 EEEELP C#CCC[NH2+][C@@H](C)[C@H]1CCCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001568407225 1124476210 /nfs/dbraw/zinc/47/62/10/1124476210.db2.gz QBXSDDCRAIDGMA-IRXDYDNUSA-N 2 2 330.476 2.167 10 30 EEEELP C=C(C)C[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)Cc2c[nH+]ccc2OC)C1 ZINC001568408468 1124478413 /nfs/dbraw/zinc/47/84/13/1124478413.db2.gz ZXURPYKZJXSIKM-JKSUJKDBSA-N 2 2 331.460 2.426 10 30 EEEELP C[N@@H+]1CCCC[C@H]1CN1CC[NH+](CC#Cc2ccc(F)cc2)CC1 ZINC000160079237 530053264 /nfs/dbraw/zinc/05/32/64/530053264.db2.gz RTLRMYNBVPDQJD-FQEVSTJZSA-N 2 2 329.463 2.279 10 30 EEEELP C[N@H+]1CCCC[C@H]1CN1CC[NH+](CC#Cc2ccc(F)cc2)CC1 ZINC000160079237 530053265 /nfs/dbraw/zinc/05/32/65/530053265.db2.gz RTLRMYNBVPDQJD-FQEVSTJZSA-N 2 2 329.463 2.279 10 30 EEEELP O=C(NCc1cn2c([nH+]1)CCCC2)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000329292586 539770886 /nfs/dbraw/zinc/77/08/86/539770886.db2.gz NTRSXPUBEPXWTA-INIZCTEOSA-N 2 2 331.464 2.194 10 30 EEEELP O=C(NC1CCN(c2cccc[nH+]2)CC1)[C@H]1CCn2c[nH+]cc2C1 ZINC000329219867 465270961 /nfs/dbraw/zinc/27/09/61/465270961.db2.gz BAKQHVZNMMUUEW-AWEZNQCLSA-N 2 2 325.416 2.466 10 30 EEEELP C=C(C)[C@H](CC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1)OCC ZINC000339474168 465294391 /nfs/dbraw/zinc/29/43/91/465294391.db2.gz VFYFDVPRPYNPLF-SWDXFRIISA-N 2 2 349.519 2.127 10 30 EEEELP C=C(C)[C@H](CC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1)OCC ZINC000339474168 465294394 /nfs/dbraw/zinc/29/43/94/465294394.db2.gz VFYFDVPRPYNPLF-SWDXFRIISA-N 2 2 349.519 2.127 10 30 EEEELP C=CCCC[C@@H](C)[NH+]1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000091512121 462886573 /nfs/dbraw/zinc/88/65/73/462886573.db2.gz FQJWJAQZBNMTTG-QGZVFWFLSA-N 2 2 345.491 2.180 10 30 EEEELP C[N@@H+]1CCCC[C@H]1CN1CC[NH+](Cc2ccc(F)c(C#N)c2)CC1 ZINC000120417508 462996787 /nfs/dbraw/zinc/99/67/87/462996787.db2.gz JPTAAEAINBFFSU-SFHVURJKSA-N 2 2 330.451 2.299 10 30 EEEELP C[N@H+]1CCCC[C@H]1CN1CC[NH+](Cc2ccc(F)c(C#N)c2)CC1 ZINC000120417508 462996788 /nfs/dbraw/zinc/99/67/88/462996788.db2.gz JPTAAEAINBFFSU-SFHVURJKSA-N 2 2 330.451 2.299 10 30 EEEELP C=CC(C)(C)CNC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000455369945 467671983 /nfs/dbraw/zinc/67/19/83/467671983.db2.gz QJTFBCQWZRYILM-SJPCQFCGSA-N 2 2 334.508 2.151 10 30 EEEELP C=CC(C)(C)CNC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000455369945 467671985 /nfs/dbraw/zinc/67/19/85/467671985.db2.gz QJTFBCQWZRYILM-SJPCQFCGSA-N 2 2 334.508 2.151 10 30 EEEELP C[NH+]1CCN(C[C@@H]([NH2+]Cc2nc(C#N)cs2)c2ccccc2)CC1 ZINC000589312881 468143566 /nfs/dbraw/zinc/14/35/66/468143566.db2.gz PCQMPGAACBRKLK-QGZVFWFLSA-N 2 2 341.484 2.093 10 30 EEEELP N#CCc1ccc(OC[C@@H](O)C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)cc1 ZINC000610571777 469005561 /nfs/dbraw/zinc/00/55/61/469005561.db2.gz PWEBNOPPXRCJGH-KRWDZBQOSA-N 2 2 340.427 2.095 10 30 EEEELP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)NCC1(C#N)CCCCC1 ZINC000596867140 469389134 /nfs/dbraw/zinc/38/91/34/469389134.db2.gz ULMPXTRRBVNTNZ-UHFFFAOYSA-N 2 2 349.523 2.128 10 30 EEEELP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)NCC1(C#N)CCCCC1 ZINC000596867140 469389138 /nfs/dbraw/zinc/38/91/38/469389138.db2.gz ULMPXTRRBVNTNZ-UHFFFAOYSA-N 2 2 349.523 2.128 10 30 EEEELP C=CCCC[N@H+]1CCCC2(CN(C(=O)CCc3c[nH+]cn3C)C2)C1 ZINC001485665730 1191886287 /nfs/dbraw/zinc/88/62/87/1191886287.db2.gz FJVKCAVDUGNAKN-UHFFFAOYSA-N 2 2 330.476 2.243 10 30 EEEELP C=CCCC[N@@H+]1CCCC2(CN(C(=O)CCc3c[nH+]cn3C)C2)C1 ZINC001485665730 1191886289 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2 344.846 2.014 10 30 EEEELP CC#CC[N@H+]1CC[C@@H](N(CCC)C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001481406093 1181231522 /nfs/dbraw/zinc/23/15/22/1181231522.db2.gz OYDOHYBTKZKEKE-PKOBYXMFSA-N 2 2 342.487 2.090 10 30 EEEELP CC#CC[N@@H+]1CC[C@@H](N(CCC)C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001481406093 1181231530 /nfs/dbraw/zinc/23/15/30/1181231530.db2.gz OYDOHYBTKZKEKE-PKOBYXMFSA-N 2 2 342.487 2.090 10 30 EEEELP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](CC/C=C/CCC)C1 ZINC001481526483 1181646568 /nfs/dbraw/zinc/64/65/68/1181646568.db2.gz GIDXJQWASDUOBM-KAGICYHLSA-N 2 2 331.504 2.411 10 30 EEEELP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](CC/C=C/CCC)C1 ZINC001481526483 1181646573 /nfs/dbraw/zinc/64/65/73/1181646573.db2.gz GIDXJQWASDUOBM-KAGICYHLSA-N 2 2 331.504 2.411 10 30 EEEELP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC[NH+](CC/C=C/CCC)C1 ZINC001481526483 1181646578 /nfs/dbraw/zinc/64/65/78/1181646578.db2.gz GIDXJQWASDUOBM-KAGICYHLSA-N 2 2 331.504 2.411 10 30 EEEELP 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C=CCC[N@@H+](CC)CC1CCN(C(=O)CCc2[nH+]ccn2C)CC1 ZINC001674342633 1356820712 /nfs/dbraw/zinc/82/07/12/1356820712.db2.gz CIFLVFSCBLJRDC-UHFFFAOYSA-N 2 2 332.492 2.489 10 30 EEEELP C=CCC[N@H+](CC)CC1CCN(C(=O)CCc2[nH+]ccn2C)CC1 ZINC001674342633 1356820713 /nfs/dbraw/zinc/82/07/13/1356820713.db2.gz CIFLVFSCBLJRDC-UHFFFAOYSA-N 2 2 332.492 2.489 10 30 EEEELP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[N@@H+](CCCC(C)C)CC1(C)C ZINC001675458441 1356985146 /nfs/dbraw/zinc/98/51/46/1356985146.db2.gz LABIUEHEIVVGCW-ROUUACIJSA-N 2 2 333.520 2.347 10 30 EEEELP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[N@H+](CCCC(C)C)CC1(C)C ZINC001675458441 1356985148 /nfs/dbraw/zinc/98/51/48/1356985148.db2.gz LABIUEHEIVVGCW-ROUUACIJSA-N 2 2 333.520 2.347 10 30 EEEELP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[NH+](CCCC(C)C)CC1(C)C ZINC001675458441 1356985151 /nfs/dbraw/zinc/98/51/51/1356985151.db2.gz LABIUEHEIVVGCW-ROUUACIJSA-N 2 2 333.520 2.347 10 30 EEEELP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[NH+](CCCC(C)C)CC1(C)C ZINC001675458441 1356985153 /nfs/dbraw/zinc/98/51/53/1356985153.db2.gz LABIUEHEIVVGCW-ROUUACIJSA-N 2 2 333.520 2.347 10 30 EEEELP C=C(C)C[NH2+][C@H](C)[C@@H]1CN(C(=O)c2c(C)cc(C)[nH+]c2C)CCO1 ZINC001675604754 1357013614 /nfs/dbraw/zinc/01/36/14/1357013614.db2.gz FHENVCCROCPUFU-WBVHZDCISA-N 2 2 331.460 2.402 10 30 EEEELP C#CC[NH2+]C[C@@H](NC(=O)Cc1c[nH]c[nH+]1)c1ccc2ccccc2c1 ZINC001699787683 1405485257 /nfs/dbraw/zinc/48/52/57/1405485257.db2.gz MXPZCKDTCYWLHY-LJQANCHMSA-N 2 2 332.407 2.186 10 30 EEEELP C=CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2COCC[NH+]2C2CCCC2)C(C)(C)C1 ZINC000940973942 779598639 /nfs/dbraw/zinc/59/86/39/779598639.db2.gz ZYOSWCZQUJJXJU-QZTJIDSGSA-N 2 2 349.519 2.033 10 30 EEEELP C=CC[N@H+]1CC[C@@H](NC(=O)[C@H]2COCC[NH+]2C2CCCC2)C(C)(C)C1 ZINC000940973942 779598642 /nfs/dbraw/zinc/59/86/42/779598642.db2.gz ZYOSWCZQUJJXJU-QZTJIDSGSA-N 2 2 349.519 2.033 10 30 EEEELP C=CC[NH+]1CC[C@@H](NC(=O)[C@H]2COCC[N@@H+]2C2CCCC2)C(C)(C)C1 ZINC000940973942 779598649 /nfs/dbraw/zinc/59/86/49/779598649.db2.gz ZYOSWCZQUJJXJU-QZTJIDSGSA-N 2 2 349.519 2.033 10 30 EEEELP C=CC[NH+]1CC[C@@H](NC(=O)[C@H]2COCC[N@H+]2C2CCCC2)C(C)(C)C1 ZINC000940973942 779598652 /nfs/dbraw/zinc/59/86/52/779598652.db2.gz ZYOSWCZQUJJXJU-QZTJIDSGSA-N 2 2 349.519 2.033 10 30 EEEELP C=CCCC[N@@H+](C)CCC1CCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC001496512976 1101112031 /nfs/dbraw/zinc/11/20/31/1101112031.db2.gz UXXSWCAGJWYFCT-UHFFFAOYSA-N 2 2 332.492 2.489 10 30 EEEELP C=CCCC[N@H+](C)CCC1CCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC001496512976 1101112038 /nfs/dbraw/zinc/11/20/38/1101112038.db2.gz UXXSWCAGJWYFCT-UHFFFAOYSA-N 2 2 332.492 2.489 10 30 EEEELP CC#CC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001507012351 1115053399 /nfs/dbraw/zinc/05/33/99/1115053399.db2.gz SHRQFQBRLODIKE-QZTJIDSGSA-N 2 2 330.476 2.320 10 30 EEEELP C=CCCC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CCn3cc[nH+]c3)C[C@@H]21 ZINC001507364360 1115224675 /nfs/dbraw/zinc/22/46/75/1115224675.db2.gz XUMGMDUOGJUBCH-OKZBNKHCSA-N 2 2 330.476 2.456 10 30 EEEELP C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000292040773 533186132 /nfs/dbraw/zinc/18/61/32/533186132.db2.gz ALROQBVDEJKMTF-FXAWDEMLSA-N 2 2 340.471 2.349 10 30 EEEELP C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000292040773 533186139 /nfs/dbraw/zinc/18/61/39/533186139.db2.gz ALROQBVDEJKMTF-FXAWDEMLSA-N 2 2 340.471 2.349 10 30 EEEELP C[C@@H](C(=O)N(CCC#N)c1ccccc1)[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000292040773 533186146 /nfs/dbraw/zinc/18/61/46/533186146.db2.gz ALROQBVDEJKMTF-FXAWDEMLSA-N 2 2 340.471 2.349 10 30 EEEELP C[C@@H](C(=O)N(CCC#N)c1ccccc1)[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000292040773 533186147 /nfs/dbraw/zinc/18/61/47/533186147.db2.gz ALROQBVDEJKMTF-FXAWDEMLSA-N 2 2 340.471 2.349 10 30 EEEELP COc1c[nH+]ccc1N1CC[NH+](Cc2ccc(C#N)c(OC)c2)CC1 ZINC000443063370 270020551 /nfs/dbraw/zinc/02/05/51/270020551.db2.gz NHOBPIVPLDQTQC-UHFFFAOYSA-N 2 2 338.411 2.293 10 30 EEEELP C[C@H]([NH2+][C@H]1CCCN(Cc2[nH+]ccn2C)C1=O)c1cccc(C#N)c1 ZINC000544016156 318178525 /nfs/dbraw/zinc/17/85/25/318178525.db2.gz WNWRKLOAUIWUGQ-YOEHRIQHSA-N 2 2 337.427 2.134 10 30 EEEELP C=C[C@@H]1OCC[C@H]1C[NH2+]C[C@@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000578996239 468293153 /nfs/dbraw/zinc/29/31/53/468293153.db2.gz IZLAOSRFZDHYCI-FCEWJHQRSA-N 2 2 329.444 2.195 10 30 EEEELP C[NH+]1CCC(CNC(=O)COc2cccnc2)([NH+]2CCCCC2)CC1 ZINC000329652102 465398118 /nfs/dbraw/zinc/39/81/18/465398118.db2.gz KPYDIXPOUCRBFJ-UHFFFAOYSA-N 2 2 346.475 2.367 10 30 EEEELP C[NH+]1CCN(Cc2ccc(C[NH2+]Cc3nc(C#N)cs3)cc2)CC1 ZINC000589309733 468142012 /nfs/dbraw/zinc/14/20/12/468142012.db2.gz DOOFTNFLETUOCH-UHFFFAOYSA-N 2 2 341.484 2.052 10 30 EEEELP CN1CC[NH+](Cc2ccc(C[NH2+]Cc3nc(C#N)cs3)cc2)CC1 ZINC000589309733 468142018 /nfs/dbraw/zinc/14/20/18/468142018.db2.gz DOOFTNFLETUOCH-UHFFFAOYSA-N 2 2 341.484 2.052 10 30 EEEELP C[N@@H+]1CCN(Cc2ccccc2)[C@H](C[NH2+][C@H]2CCC[C@@H](C#N)C2)C1 ZINC000595099466 468757824 /nfs/dbraw/zinc/75/78/24/468757824.db2.gz MJKYEOQMSRJDAH-HSALFYBXSA-N 2 2 326.488 2.475 10 30 EEEELP C[N@H+]1CCN(Cc2ccccc2)[C@H](C[NH2+][C@H]2CCC[C@@H](C#N)C2)C1 ZINC000595099466 468757827 /nfs/dbraw/zinc/75/78/27/468757827.db2.gz MJKYEOQMSRJDAH-HSALFYBXSA-N 2 2 326.488 2.475 10 30 EEEELP C=CCc1cc(C[NH+]2CCC([NH2+]CCOC)CC2)cc(OC)c1O ZINC000563230982 469208662 /nfs/dbraw/zinc/20/86/62/469208662.db2.gz WFSMIAHTBNGEMC-UHFFFAOYSA-N 2 2 334.460 2.330 10 30 EEEELP C=CC[C@H]1CC[N@H+](CC(=O)N2CC[NH+](Cc3cccs3)CC2)C1 ZINC000625705194 470170685 /nfs/dbraw/zinc/17/06/85/470170685.db2.gz YJUQUWLDNCNUHN-INIZCTEOSA-N 2 2 333.501 2.290 10 30 EEEELP C=CC[C@H]1CC[N@@H+](CC(=O)N2CC[NH+](Cc3cccs3)CC2)C1 ZINC000625705194 470170686 /nfs/dbraw/zinc/17/06/86/470170686.db2.gz YJUQUWLDNCNUHN-INIZCTEOSA-N 2 2 333.501 2.290 10 30 EEEELP C=CC[C@@]1(C(=O)Nc2cccc(C[NH+]3CCOCC3)c2)CCC[NH2+]1 ZINC000662693590 472209965 /nfs/dbraw/zinc/20/99/65/472209965.db2.gz KAPXUWASCOYAIA-IBGZPJMESA-N 2 2 329.444 2.156 10 30 EEEELP C=CC[NH+](CC=C)[C@H](CNC(=O)[C@H]1CCc2[nH+]c[nH]c2C1)C(C)C ZINC000668682715 472225167 /nfs/dbraw/zinc/22/51/67/472225167.db2.gz MUMVRHDCSGRNGV-MAUKXSAKSA-N 2 2 330.476 2.329 10 30 EEEELP C=CC[NH+](CC=C)[C@H](CNC(=O)[C@H]1CCc2[nH]c[nH+]c2C1)C(C)C ZINC000668682715 472225173 /nfs/dbraw/zinc/22/51/73/472225173.db2.gz MUMVRHDCSGRNGV-MAUKXSAKSA-N 2 2 330.476 2.329 10 30 EEEELP C#CCC[NH2+][C@H]1CCC[C@H](NC(=O)Cc2cn3cccc(C)c3[nH+]2)C1 ZINC001772514415 1176493758 /nfs/dbraw/zinc/49/37/58/1176493758.db2.gz JPUOALFVVDFSRF-IRXDYDNUSA-N 2 2 338.455 2.226 10 30 EEEELP C=C(C)C[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)Cc2c[nH+]ccc2OC)C1 ZINC001266892483 1177730979 /nfs/dbraw/zinc/73/09/79/1177730979.db2.gz VWDUWLCSLOLKOM-HZPDHXFCSA-N 2 2 331.460 2.426 10 30 EEEELP C=C(C)C[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)Cc2c[nH+]ccc2OC)C1 ZINC001266892483 1177730983 /nfs/dbraw/zinc/73/09/83/1177730983.db2.gz VWDUWLCSLOLKOM-HZPDHXFCSA-N 2 2 331.460 2.426 10 30 EEEELP C=C(C)CC[NH2+]C[C@@H]1CCN(C(=O)[C@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC001267054533 1178160718 /nfs/dbraw/zinc/16/07/18/1178160718.db2.gz DPULWVJRACJJFF-PKOBYXMFSA-N 2 2 349.519 2.034 10 30 EEEELP C=C(C)CC[NH2+]C[C@@H]1CCN(C(=O)[C@H]2COCC[N@H+]2C2CCCC2)C1 ZINC001267054533 1178160722 /nfs/dbraw/zinc/16/07/22/1178160722.db2.gz DPULWVJRACJJFF-PKOBYXMFSA-N 2 2 349.519 2.034 10 30 EEEELP CC(C)[N@H+](CCCNC(=O)Cc1c[nH]c[nH+]1)Cc1cccc(C#N)c1 ZINC001267510380 1179220895 /nfs/dbraw/zinc/22/08/95/1179220895.db2.gz NNLADQQACRMUTD-UHFFFAOYSA-N 2 2 339.443 2.241 10 30 EEEELP CC(C)[N@@H+](CCCNC(=O)Cc1c[nH]c[nH+]1)Cc1cccc(C#N)c1 ZINC001267510380 1179220901 /nfs/dbraw/zinc/22/09/01/1179220901.db2.gz NNLADQQACRMUTD-UHFFFAOYSA-N 2 2 339.443 2.241 10 30 EEEELP C=CCCC[N@@H+](C)C[C@H]1CCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001267586164 1179551490 /nfs/dbraw/zinc/55/14/90/1179551490.db2.gz LIPUIHHUISRWRL-SJORKVTESA-N 2 2 330.476 2.192 10 30 EEEELP C=CCCC[N@H+](C)C[C@H]1CCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001267586164 1179551493 /nfs/dbraw/zinc/55/14/93/1179551493.db2.gz LIPUIHHUISRWRL-SJORKVTESA-N 2 2 330.476 2.192 10 30 EEEELP C#CCN(C(=O)Cc1[nH]c[nH+]c1C)C1CC[NH+](CCC(=C)C)CC1 ZINC001270359633 1185045335 /nfs/dbraw/zinc/04/53/35/1185045335.db2.gz YSVLLPOXIPQARJ-UHFFFAOYSA-N 2 2 328.460 2.153 10 30 EEEELP C=CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001271110141 1185893191 /nfs/dbraw/zinc/89/31/91/1185893191.db2.gz QTVHKNUSLOOJFB-JKSUJKDBSA-N 2 2 343.462 2.366 10 30 EEEELP C=CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001271110141 1185893194 /nfs/dbraw/zinc/89/31/94/1185893194.db2.gz QTVHKNUSLOOJFB-JKSUJKDBSA-N 2 2 343.462 2.366 10 30 EEEELP C=CCOCC[NH2+][C@H]1CCCCCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001691633158 1189325785 /nfs/dbraw/zinc/32/57/85/1189325785.db2.gz XLAOSPJQWZVRFO-INIZCTEOSA-N 2 2 348.491 2.251 10 30 EEEELP C=CC[NH+]1CCC[C@@](C)(CNC(=O)c2cc([C@H]3CCC[N@H+]3C)n[nH]2)C1 ZINC001484160940 1191249357 /nfs/dbraw/zinc/24/93/57/1191249357.db2.gz LGFMIVNWDFYSNP-MJGOQNOKSA-N 2 2 345.491 2.194 10 30 EEEELP C=CC[NH+]1CCC[C@@](C)(CNC(=O)c2cc([C@H]3CCC[N@@H+]3C)n[nH]2)C1 ZINC001484160940 1191249359 /nfs/dbraw/zinc/24/93/59/1191249359.db2.gz LGFMIVNWDFYSNP-MJGOQNOKSA-N 2 2 345.491 2.194 10 30 EEEELP C=CC[N@H+]1CCC[C@@](C)(CNC(=O)c2cc([C@H]3CCC[NH+]3C)n[nH]2)C1 ZINC001484160940 1191249361 /nfs/dbraw/zinc/24/93/61/1191249361.db2.gz LGFMIVNWDFYSNP-MJGOQNOKSA-N 2 2 345.491 2.194 10 30 EEEELP C=CC[N@@H+]1CCC[C@@](C)(CNC(=O)c2cc([C@H]3CCC[NH+]3C)n[nH]2)C1 ZINC001484160940 1191249363 /nfs/dbraw/zinc/24/93/63/1191249363.db2.gz LGFMIVNWDFYSNP-MJGOQNOKSA-N 2 2 345.491 2.194 10 30 EEEELP C=CCCC[NH2+][C@H](C)[C@@H]1CCN(C(=O)Cc2c[nH+]ccc2OC)C1 ZINC001484344766 1191312529 /nfs/dbraw/zinc/31/25/29/1191312529.db2.gz PMJLTKDGAJMKTP-HZPDHXFCSA-N 2 2 331.460 2.426 10 30 EEEELP CC#CC[N@@H+](CC)CC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001485030823 1191621134 /nfs/dbraw/zinc/62/11/34/1191621134.db2.gz CZUPJXVLUAZXTQ-IAGOWNOFSA-N 2 2 328.460 2.097 10 30 EEEELP CC#CC[N@H+](CC)CC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001485030823 1191621135 /nfs/dbraw/zinc/62/11/35/1191621135.db2.gz CZUPJXVLUAZXTQ-IAGOWNOFSA-N 2 2 328.460 2.097 10 30 EEEELP CC#CC[N@@H+](CC)CC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001485030823 1191621136 /nfs/dbraw/zinc/62/11/36/1191621136.db2.gz CZUPJXVLUAZXTQ-IAGOWNOFSA-N 2 2 328.460 2.097 10 30 EEEELP CC#CC[N@H+](CC)CC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001485030823 1191621137 /nfs/dbraw/zinc/62/11/37/1191621137.db2.gz CZUPJXVLUAZXTQ-IAGOWNOFSA-N 2 2 328.460 2.097 10 30 EEEELP C=C(Cl)C[NH2+]C[C@@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C(C)(C)C ZINC001486413352 1193922656 /nfs/dbraw/zinc/92/26/56/1193922656.db2.gz GDSRLLSGDDXPEC-UMVBOHGHSA-N 2 2 338.883 2.397 10 30 EEEELP C=C(Cl)C[NH2+][C@H](CCNC(=O)[C@@H]1CCc2[nH+]ccn2C1)C(C)C ZINC001410248831 1197631870 /nfs/dbraw/zinc/63/18/70/1197631870.db2.gz PIWAPGYEGNQLMH-HUUCEWRRSA-N 2 2 338.883 2.319 10 30 EEEELP COC(=O)[C@H](c1ccc(C#N)cc1)[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000866669073 1201574848 /nfs/dbraw/zinc/57/48/48/1201574848.db2.gz OPQVUDQURRDJPK-OALUTQOASA-N 2 2 341.455 2.484 10 30 EEEELP COC(=O)[C@H](c1ccc(C#N)cc1)[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000866669072 1201575124 /nfs/dbraw/zinc/57/51/24/1201575124.db2.gz OPQVUDQURRDJPK-MOPGFXCFSA-N 2 2 341.455 2.484 10 30 EEEELP C=CCCC[N@@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC001275184488 1205276989 /nfs/dbraw/zinc/27/69/89/1205276989.db2.gz PNQPNIZBRWRTFM-QZTJIDSGSA-N 2 2 330.476 2.410 10 30 EEEELP C=CCCC[N@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC001275184488 1205276991 /nfs/dbraw/zinc/27/69/91/1205276991.db2.gz PNQPNIZBRWRTFM-QZTJIDSGSA-N 2 2 330.476 2.410 10 30 EEEELP C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)[C@H](C(C)C)[NH+]1CCCCC1)CO2 ZINC001273729082 1284274261 /nfs/dbraw/zinc/27/42/61/1284274261.db2.gz HNJNRAMMUSGKQF-ROUUACIJSA-N 2 2 349.519 2.033 10 30 EEEELP CC#CC[NH2+][C@@H]1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C[C@@H]1CC ZINC001276740269 1297161038 /nfs/dbraw/zinc/16/10/38/1297161038.db2.gz OJIOGMLIZLWZQQ-DLBZAZTESA-N 2 2 330.476 2.167 10 30 EEEELP C=C(C)CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001277663426 1304121768 /nfs/dbraw/zinc/12/17/68/1304121768.db2.gz XMMXMQRTRFQVCW-WMZOPIPTSA-N 2 2 330.476 2.238 10 30 EEEELP C=C(C)C[N@H+]1CCC[C@@](C)(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001278678741 1317676131 /nfs/dbraw/zinc/67/61/31/1317676131.db2.gz UPLOKMCMXVAIJK-MDZRGWNJSA-N 2 2 330.476 2.318 10 30 EEEELP C=C(C)C[N@@H+]1CCC[C@@](C)(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001278678741 1317676139 /nfs/dbraw/zinc/67/61/39/1317676139.db2.gz UPLOKMCMXVAIJK-MDZRGWNJSA-N 2 2 330.476 2.318 10 30 EEEELP C=C(Cl)C[N@H+](CC)CCCNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001265129819 1322937362 /nfs/dbraw/zinc/93/73/62/1322937362.db2.gz XSRFZFMHQOGDGK-HNNXBMFYSA-N 2 2 338.883 2.335 10 30 EEEELP C=C(Cl)C[N@@H+](CC)CCCNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001265129819 1322937366 /nfs/dbraw/zinc/93/73/66/1322937366.db2.gz XSRFZFMHQOGDGK-HNNXBMFYSA-N 2 2 338.883 2.335 10 30 EEEELP C=CCC[C@@H](C)[N@@H+]1CC[C@@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001265285722 1323036015 /nfs/dbraw/zinc/03/60/15/1323036015.db2.gz GHPDCHPNCXDUMX-HZPDHXFCSA-N 2 2 330.476 2.307 10 30 EEEELP C=CCC[C@@H](C)[N@H+]1CC[C@@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001265285722 1323036021 /nfs/dbraw/zinc/03/60/21/1323036021.db2.gz GHPDCHPNCXDUMX-HZPDHXFCSA-N 2 2 330.476 2.307 10 30 EEEELP C#CCC[NH2+]C[C@@H]1CCCN(C(=O)Cc2cn3cccc(C)c3[nH+]2)C1 ZINC001265627426 1323277742 /nfs/dbraw/zinc/27/77/42/1323277742.db2.gz BLUGGRGIZAAQBP-KRWDZBQOSA-N 2 2 338.455 2.037 10 30 EEEELP C=CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001281775316 1325445458 /nfs/dbraw/zinc/44/54/58/1325445458.db2.gz AULOCYXRUPMWOP-SFHVURJKSA-N 2 2 327.472 2.372 10 30 EEEELP C=CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001281775316 1325445465 /nfs/dbraw/zinc/44/54/65/1325445465.db2.gz AULOCYXRUPMWOP-SFHVURJKSA-N 2 2 327.472 2.372 10 30 EEEELP O=C(c1cccc2[nH+]ccn21)N1CC[C@H]([NH2+]CC#Cc2ccccc2)C1 ZINC001491740062 1330237815 /nfs/dbraw/zinc/23/78/15/1330237815.db2.gz URSYKYYVUKAHAT-SFHVURJKSA-N 2 2 344.418 2.190 10 30 EEEELP N#Cc1cccc(C[NH2+]C/C=C/CNC(=O)c2cccc3[nH+]ccn32)c1 ZINC001321156281 1333032810 /nfs/dbraw/zinc/03/28/10/1333032810.db2.gz QTPNGBGVIPSDJR-OWOJBTEDSA-N 2 2 345.406 2.282 10 30 EEEELP C=C(C)C[NH2+][C@@H](CCN(C)C(=O)[C@H]1CCc2c[nH+]cn2C1)C(C)C ZINC001329742658 1334706609 /nfs/dbraw/zinc/70/66/09/1334706609.db2.gz OYRUXHQCALZDLU-WMZOPIPTSA-N 2 2 332.492 2.484 10 30 EEEELP N#Cc1cccc(NC(=O)CC[NH2+]C[C@H]2CC[N@@H+]2C2CCCC2)c1 ZINC001331763051 1335068245 /nfs/dbraw/zinc/06/82/45/1335068245.db2.gz VGEXOSCQYYGADH-GOSISDBHSA-N 2 2 326.444 2.493 10 30 EEEELP N#Cc1cccc(NC(=O)CC[NH2+]C[C@H]2CC[N@H+]2C2CCCC2)c1 ZINC001331763051 1335068248 /nfs/dbraw/zinc/06/82/48/1335068248.db2.gz VGEXOSCQYYGADH-GOSISDBHSA-N 2 2 326.444 2.493 10 30 EEEELP C=CCCC[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001649463300 1353519368 /nfs/dbraw/zinc/51/93/68/1353519368.db2.gz OAVKGGNGRZBAQC-SJORKVTESA-N 2 2 330.476 2.382 10 30 EEEELP C[C@@H](C[NH2+]CC#Cc1ccc(Cl)cc1)N(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001698850702 1405108879 /nfs/dbraw/zinc/10/88/79/1405108879.db2.gz ORVJXCPKMJKIRK-AWEZNQCLSA-N 2 2 344.846 2.094 10 30 EEEELP C#CCN(C(=O)Cn1cc[nH+]c1)C1CC[NH+](CC/C=C\CC)CC1 ZINC001699788963 1405486535 /nfs/dbraw/zinc/48/65/35/1405486535.db2.gz IVWXTMJEVHIJDR-WAYWQWQTSA-N 2 2 328.460 2.166 10 30 EEEELP C=CC[NH+]1CC[C@H](NC(=O)c2cc([C@H]3CCC[N@H+]3C)n[nH]2)C(C)(C)C1 ZINC000940764520 779241690 /nfs/dbraw/zinc/24/16/90/779241690.db2.gz LLAFVEANZSGSSV-SJORKVTESA-N 2 2 345.491 2.193 10 30 EEEELP C=CC[NH+]1CC[C@H](NC(=O)c2cc([C@H]3CCC[N@@H+]3C)n[nH]2)C(C)(C)C1 ZINC000940764520 779241695 /nfs/dbraw/zinc/24/16/95/779241695.db2.gz LLAFVEANZSGSSV-SJORKVTESA-N 2 2 345.491 2.193 10 30 EEEELP C=CC[N@H+]1CC[C@H](NC(=O)c2cc([C@H]3CCC[NH+]3C)n[nH]2)C(C)(C)C1 ZINC000940764520 779241699 /nfs/dbraw/zinc/24/16/99/779241699.db2.gz LLAFVEANZSGSSV-SJORKVTESA-N 2 2 345.491 2.193 10 30 EEEELP C=CC[N@@H+]1CC[C@H](NC(=O)c2cc([C@H]3CCC[NH+]3C)n[nH]2)C(C)(C)C1 ZINC000940764520 779241705 /nfs/dbraw/zinc/24/17/05/779241705.db2.gz LLAFVEANZSGSSV-SJORKVTESA-N 2 2 345.491 2.193 10 30 EEEELP C[NH+](C)CCCC(=O)NC[C@H]1CCC[N@@H+]1Cc1cc(F)ccc1C#N ZINC001437675405 1090206323 /nfs/dbraw/zinc/20/63/23/1090206323.db2.gz SNNPUOLJYVNHGV-GOSISDBHSA-N 2 2 346.450 2.120 10 30 EEEELP C[NH+](C)CCCC(=O)NC[C@H]1CCC[N@H+]1Cc1cc(F)ccc1C#N ZINC001437675405 1090206327 /nfs/dbraw/zinc/20/63/27/1090206327.db2.gz SNNPUOLJYVNHGV-GOSISDBHSA-N 2 2 346.450 2.120 10 30 EEEELP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@H]1OCC ZINC001479548044 1098603033 /nfs/dbraw/zinc/60/30/33/1098603033.db2.gz LNEIKCCCPCWDBL-HZPDHXFCSA-N 2 2 348.491 2.107 10 30 EEEELP C=CCCC[N@H+]1CC[C@H]2CN(C(=O)CCc3[nH+]ccn3C)CC[C@H]21 ZINC001496861882 1101627276 /nfs/dbraw/zinc/62/72/76/1101627276.db2.gz UZIUEIFAMYSKJC-DLBZAZTESA-N 2 2 330.476 2.242 10 30 EEEELP C=CCCC[N@@H+]1CC[C@H]2CN(C(=O)CCc3[nH+]ccn3C)CC[C@H]21 ZINC001496861882 1101627277 /nfs/dbraw/zinc/62/72/77/1101627277.db2.gz UZIUEIFAMYSKJC-DLBZAZTESA-N 2 2 330.476 2.242 10 30 EEEELP C=C(C)CC[NH+]1CC2(C1)CC[C@H](CNC(=O)C[C@@H](C)n1cc[nH+]c1)O2 ZINC001502441712 1113685305 /nfs/dbraw/zinc/68/53/05/1113685305.db2.gz XELFEXOKEGZECL-IAGOWNOFSA-N 2 2 346.475 2.150 10 30 EEEELP C=C(C)C[NH2+][C@H](C)[C@@H]1CCCN(C(=O)Cc2c[nH+]ccc2OC)C1 ZINC001568408467 1124477941 /nfs/dbraw/zinc/47/79/41/1124477941.db2.gz ZXURPYKZJXSIKM-HZPDHXFCSA-N 2 2 331.460 2.426 10 30 EEEELP COc1ccc(C#N)cc1C[NH+]1CCN(c2cc[nH+]cc2OC)CC1 ZINC000361532225 164460674 /nfs/dbraw/zinc/46/06/74/164460674.db2.gz WLRWHDVJSJEVEQ-UHFFFAOYSA-N 2 2 338.411 2.293 10 30 EEEELP N#Cc1ccc2ncc(C[NH2+]C3CCN(c4cccc[nH+]4)CC3)n2c1 ZINC000375295222 167106522 /nfs/dbraw/zinc/10/65/22/167106522.db2.gz ZTHJLDPNQAPRQM-UHFFFAOYSA-N 2 2 332.411 2.360 10 30 EEEELP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)NCc1[nH+]ccn1CC(F)(F)F ZINC000330816994 465816277 /nfs/dbraw/zinc/81/62/77/465816277.db2.gz RDPRWSZKSQUCEO-GFCCVEGCSA-N 2 2 347.385 2.133 10 30 EEEELP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)NCc1[nH+]ccn1CC(F)(F)F ZINC000330816994 465816280 /nfs/dbraw/zinc/81/62/80/465816280.db2.gz RDPRWSZKSQUCEO-GFCCVEGCSA-N 2 2 347.385 2.133 10 30 EEEELP C[NH+]1CCC(CNC(=O)C2(C#N)CC3(CC3)C2)([NH+]2CCCCC2)CC1 ZINC000601249383 468797111 /nfs/dbraw/zinc/79/71/11/468797111.db2.gz CIHXGQFNVCOKGT-UHFFFAOYSA-N 2 2 344.503 2.137 10 30 EEEELP Cc1cnc([C@H](C)O[NH+]=C(N)c2ccc(C[NH+]3CCOCC3)cc2)o1 ZINC000770692835 577601948 /nfs/dbraw/zinc/60/19/48/577601948.db2.gz DRJZKTFYLDNOKW-AWEZNQCLSA-N 2 2 344.415 2.213 10 30 EEEELP CC[NH+]=C(NCC[NH+]1CCC1)N1C[C@@H](c2ccc(F)cc2)O[C@@H](C)C1 ZINC000261737311 681777815 /nfs/dbraw/zinc/77/78/15/681777815.db2.gz KEYBYBSMIDVZMC-YJBOKZPZSA-N 2 2 348.466 2.259 10 30 EEEELP C#Cc1ccc(C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)cc1 ZINC000896691980 685185753 /nfs/dbraw/zinc/18/57/53/685185753.db2.gz ACTXDSCCCCNBPI-UHFFFAOYSA-N 2 2 339.483 2.348 10 30 EEEELP O=C(N[C@H]1C[C@@H]([NH2+]CC#Cc2ccccc2)C1)c1cccc2[nH+]ccn21 ZINC001266699029 1177221102 /nfs/dbraw/zinc/22/11/02/1177221102.db2.gz NPYMPMUKRLPDEB-HDICACEKSA-N 2 2 344.418 2.236 10 30 EEEELP C#CCC[NH2+]C[C@]1(NC(=O)Cc2c[nH+]ccc2OC)CCCC[C@@H]1C ZINC001481956805 1183025593 /nfs/dbraw/zinc/02/55/93/1183025593.db2.gz BTSZZMBRIFOEDW-OXJNMPFZSA-N 2 2 343.471 2.311 10 30 EEEELP C#CCC[N@@H+](CCNC(=O)Cc1c[nH+]cn1C)C1CCCCCC1 ZINC001269616569 1184440169 /nfs/dbraw/zinc/44/01/69/1184440169.db2.gz OKICBVCTZHQOJD-UHFFFAOYSA-N 2 2 330.476 2.127 10 30 EEEELP C#CCC[N@H+](CCNC(=O)Cc1c[nH+]cn1C)C1CCCCCC1 ZINC001269616569 1184440172 /nfs/dbraw/zinc/44/01/72/1184440172.db2.gz OKICBVCTZHQOJD-UHFFFAOYSA-N 2 2 330.476 2.127 10 30 EEEELP C#CCC[NH2+]C[C@@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C[C@@H]1C ZINC001271650972 1186360625 /nfs/dbraw/zinc/36/06/25/1186360625.db2.gz ZYJGZAFVNWYSGR-FUHWJXTLSA-N 2 2 336.439 2.193 10 30 EEEELP C#CCC[N@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)CCCn2cc[nH+]c2)C1 ZINC001670924342 1193527589 /nfs/dbraw/zinc/52/75/89/1193527589.db2.gz WRRYRKNJMNPWJS-RTBURBONSA-N 2 2 342.487 2.390 10 30 EEEELP C#CCC[N@@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)CCCn2cc[nH+]c2)C1 ZINC001670924342 1193527591 /nfs/dbraw/zinc/52/75/91/1193527591.db2.gz WRRYRKNJMNPWJS-RTBURBONSA-N 2 2 342.487 2.390 10 30 EEEELP C#CCC[N@H+]1C[C@@H]2CCCN(C(=O)[C@H](CC(C)C)n3cc[nH+]c3)[C@@H]2C1 ZINC001484471508 1191376413 /nfs/dbraw/zinc/37/64/13/1191376413.db2.gz XOOPEPKQWGCDJG-GBESFXJTSA-N 2 2 342.487 2.416 10 30 EEEELP C#CCC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@H](CC(C)C)n3cc[nH+]c3)[C@@H]2C1 ZINC001484471508 1191376416 /nfs/dbraw/zinc/37/64/16/1191376416.db2.gz XOOPEPKQWGCDJG-GBESFXJTSA-N 2 2 342.487 2.416 10 30 EEEELP C#CC[N@H+]1CC[C@H](NC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C(C)(C)C1 ZINC001484936340 1191580315 /nfs/dbraw/zinc/58/03/15/1191580315.db2.gz ICYUINVIVOOINJ-SJORKVTESA-N 2 2 330.476 2.320 10 30 EEEELP C#CC[N@@H+]1CC[C@H](NC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C(C)(C)C1 ZINC001484936340 1191580317 /nfs/dbraw/zinc/58/03/17/1191580317.db2.gz ICYUINVIVOOINJ-SJORKVTESA-N 2 2 330.476 2.320 10 30 EEEELP C=C(Cl)C[C@@H]([NH3+])C(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC000876754039 1199757854 /nfs/dbraw/zinc/75/78/54/1199757854.db2.gz AQSADCHIZWHQOY-CZUORRHYSA-N 2 2 337.851 2.488 10 30 EEEELP C=CCCC[NH2+]C1(C)CCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC001274351554 1205004895 /nfs/dbraw/zinc/00/48/95/1205004895.db2.gz SJHHLFTYQHMHOF-MRXNPFEDSA-N 2 2 330.476 2.382 10 30 EEEELP C#CC[NH+]1CCC[C@H]1C(=O)N(C)CCC[N@H+](C)C/C(Cl)=C/Cl ZINC001273523904 1279158960 /nfs/dbraw/zinc/15/89/60/1279158960.db2.gz HCICWHDTHNJYMU-ZSMUJPCHSA-N 2 2 346.302 2.183 10 30 EEEELP C#CC[NH+]1CCC[C@H]1C(=O)N(C)CCC[N@@H+](C)C/C(Cl)=C/Cl ZINC001273523904 1279158971 /nfs/dbraw/zinc/15/89/71/1279158971.db2.gz HCICWHDTHNJYMU-ZSMUJPCHSA-N 2 2 346.302 2.183 10 30 EEEELP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCC[NH+](C)C/C(Cl)=C/Cl ZINC001273523904 1279158984 /nfs/dbraw/zinc/15/89/84/1279158984.db2.gz HCICWHDTHNJYMU-ZSMUJPCHSA-N 2 2 346.302 2.183 10 30 EEEELP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCC[NH+](C)C/C(Cl)=C/Cl ZINC001273523904 1279158994 /nfs/dbraw/zinc/15/89/94/1279158994.db2.gz HCICWHDTHNJYMU-ZSMUJPCHSA-N 2 2 346.302 2.183 10 30 EEEELP CC[N@H+](C)Cc1cc(O[C@@H]2CC[NH+](C[C@H](C#N)CCC#N)C2)ccn1 ZINC000856592575 1293575969 /nfs/dbraw/zinc/57/59/69/1293575969.db2.gz KNTATQLQYIPWKU-QFBILLFUSA-N 2 2 341.459 2.430 10 30 EEEELP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](C[C@H](C#N)CCC#N)C2)ccn1 ZINC000856592575 1293575971 /nfs/dbraw/zinc/57/59/71/1293575971.db2.gz KNTATQLQYIPWKU-QFBILLFUSA-N 2 2 341.459 2.430 10 30 EEEELP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](C[C@H](C#N)CCC#N)C2)ccn1 ZINC000856592575 1293575973 /nfs/dbraw/zinc/57/59/73/1293575973.db2.gz KNTATQLQYIPWKU-QFBILLFUSA-N 2 2 341.459 2.430 10 30 EEEELP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](C[C@H](C#N)CCC#N)C2)ccn1 ZINC000856592575 1293575975 /nfs/dbraw/zinc/57/59/75/1293575975.db2.gz KNTATQLQYIPWKU-QFBILLFUSA-N 2 2 341.459 2.430 10 30 EEEELP CC#CC[N@H+]1CC[C@H](NC(=O)[C@H](CC(C)C)n2cc[nH+]c2)[C@H]1CC ZINC001264611613 1322750185 /nfs/dbraw/zinc/75/01/85/1322750185.db2.gz OIPTYYPFXXQPSY-KSZLIROESA-N 2 2 330.476 2.463 10 30 EEEELP CC#CC[N@@H+]1CC[C@H](NC(=O)[C@H](CC(C)C)n2cc[nH+]c2)[C@H]1CC ZINC001264611613 1322750187 /nfs/dbraw/zinc/75/01/87/1322750187.db2.gz OIPTYYPFXXQPSY-KSZLIROESA-N 2 2 330.476 2.463 10 30 EEEELP C=C(C)C[N@H+](CC)CCCNC(=O)c1cc([C@H]2CCC[NH+]2C)n[nH]1 ZINC001265114796 1322926958 /nfs/dbraw/zinc/92/69/58/1322926958.db2.gz OQWFFGHBBLRFNW-QGZVFWFLSA-N 2 2 333.480 2.194 10 30 EEEELP C=C(C)C[N@@H+](CC)CCCNC(=O)c1cc([C@H]2CCC[NH+]2C)n[nH]1 ZINC001265114796 1322926961 /nfs/dbraw/zinc/92/69/61/1322926961.db2.gz OQWFFGHBBLRFNW-QGZVFWFLSA-N 2 2 333.480 2.194 10 30 EEEELP C=C(C)C[NH+](CC)CCCNC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1 ZINC001265114796 1322926965 /nfs/dbraw/zinc/92/69/65/1322926965.db2.gz OQWFFGHBBLRFNW-QGZVFWFLSA-N 2 2 333.480 2.194 10 30 EEEELP C=C(C)C[NH+](CC)CCCNC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1 ZINC001265114796 1322926966 /nfs/dbraw/zinc/92/69/66/1322926966.db2.gz OQWFFGHBBLRFNW-QGZVFWFLSA-N 2 2 333.480 2.194 10 30 EEEELP C=CCC[C@@H](C)[NH2+][C@H]1CCN(C(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001265430910 1323151484 /nfs/dbraw/zinc/15/14/84/1323151484.db2.gz NHSZJJAMWGMHRE-CVEARBPZSA-N 2 2 330.476 2.307 10 30 EEEELP Cc1[nH+]c[nH]c1CC(=O)NC[C@H](C)[NH2+]CC#Cc1ccccc1Cl ZINC001265855775 1323430633 /nfs/dbraw/zinc/43/06/33/1323430633.db2.gz BVYQQRUJVOYYKI-ZDUSSCGKSA-N 2 2 344.846 2.060 10 30 EEEELP C#CC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001281912187 1325505714 /nfs/dbraw/zinc/50/57/14/1325505714.db2.gz GLHQWTMKQZDIFS-IFMALSPDSA-N 2 2 347.462 2.123 10 30 EEEELP C#CC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)C[N@H+](C)Cc1ccccc1 ZINC001281912187 1325505722 /nfs/dbraw/zinc/50/57/22/1325505722.db2.gz GLHQWTMKQZDIFS-IFMALSPDSA-N 2 2 347.462 2.123 10 30 EEEELP C#CCC[NH2+][C@@H](CCN(C)C(=O)Cc1cn2c([nH+]1)CCCC2)C(C)C ZINC001282551496 1325740540 /nfs/dbraw/zinc/74/05/40/1325740540.db2.gz UHFFDLQPRGGIAY-SFHVURJKSA-N 2 2 344.503 2.248 10 30 EEEELP C=C(C)C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)CCCn3cc[nH+]c3)C[C@@H]2C1 ZINC001282960385 1325855399 /nfs/dbraw/zinc/85/53/99/1325855399.db2.gz ZMIFCYXRKGZONY-KSZLIROESA-N 2 2 330.476 2.456 10 30 EEEELP C=C(C)C[N@H+]1C[C@@H]2CC[C@H](NC(=O)CCCn3cc[nH+]c3)C[C@@H]2C1 ZINC001282960385 1325855402 /nfs/dbraw/zinc/85/54/02/1325855402.db2.gz ZMIFCYXRKGZONY-KSZLIROESA-N 2 2 330.476 2.456 10 30 EEEELP C=CCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1(C)C ZINC001284292506 1326491547 /nfs/dbraw/zinc/49/15/47/1326491547.db2.gz GVHNIVBAFNJGCS-NVXWUHKLSA-N 2 2 330.476 2.238 10 30 EEEELP CC#CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001317177170 1332115711 /nfs/dbraw/zinc/11/57/11/1332115711.db2.gz PRXIZOQZQMLKAS-RTBURBONSA-N 2 2 327.472 2.283 10 30 EEEELP CC#CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001317177170 1332115712 /nfs/dbraw/zinc/11/57/12/1332115712.db2.gz PRXIZOQZQMLKAS-RTBURBONSA-N 2 2 327.472 2.283 10 30 EEEELP C=CCCC[N@@H+](C)C[C@H](C)NC(=O)c1cc([C@@H]2CCC[NH+]2C)n[nH]1 ZINC001322158284 1333219972 /nfs/dbraw/zinc/21/99/72/1333219972.db2.gz BUZGTLXRCSNVBH-YOEHRIQHSA-N 2 2 333.480 2.193 10 30 EEEELP C=CCCC[N@H+](C)C[C@H](C)NC(=O)c1cc([C@@H]2CCC[NH+]2C)n[nH]1 ZINC001322158284 1333219976 /nfs/dbraw/zinc/21/99/76/1333219976.db2.gz BUZGTLXRCSNVBH-YOEHRIQHSA-N 2 2 333.480 2.193 10 30 EEEELP C=CCCC[NH+](C)C[C@H](C)NC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1 ZINC001322158284 1333219977 /nfs/dbraw/zinc/21/99/77/1333219977.db2.gz BUZGTLXRCSNVBH-YOEHRIQHSA-N 2 2 333.480 2.193 10 30 EEEELP C=CCCC[NH+](C)C[C@H](C)NC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1 ZINC001322158284 1333219981 /nfs/dbraw/zinc/21/99/81/1333219981.db2.gz BUZGTLXRCSNVBH-YOEHRIQHSA-N 2 2 333.480 2.193 10 30 EEEELP C=CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C(C)(C)n1c[nH+]c(C)c1)C2 ZINC001325631629 1333928432 /nfs/dbraw/zinc/92/84/32/1333928432.db2.gz FMQFNSVBVVLPHQ-BJWYYQGGSA-N 2 2 330.476 2.472 10 30 EEEELP C=CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C(C)(C)n1c[nH+]c(C)c1)C2 ZINC001325631629 1333928433 /nfs/dbraw/zinc/92/84/33/1333928433.db2.gz FMQFNSVBVVLPHQ-BJWYYQGGSA-N 2 2 330.476 2.472 10 30 EEEELP C=CCCC[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1c(C)cc(C)[nH+]c1C ZINC001332646222 1335872566 /nfs/dbraw/zinc/87/25/66/1335872566.db2.gz HOUHYQROEMSXAQ-QGZVFWFLSA-N 2 2 333.476 2.338 10 30 EEEELP C=CCCC[N@H+](C)C[C@@H](O)CN(C)C(=O)c1c(C)cc(C)[nH+]c1C ZINC001332646222 1335872572 /nfs/dbraw/zinc/87/25/72/1335872572.db2.gz HOUHYQROEMSXAQ-QGZVFWFLSA-N 2 2 333.476 2.338 10 30 EEEELP C=CCC[N@@H+](C)C1CCN(C(=O)[C@@H]2COCC[NH+]2C2CCCC2)CC1 ZINC001676064295 1357100092 /nfs/dbraw/zinc/10/00/92/1357100092.db2.gz XKXFIRHWCBIYLC-IBGZPJMESA-N 2 2 349.519 2.129 10 30 EEEELP C=CCC[N@H+](C)C1CCN(C(=O)[C@@H]2COCC[NH+]2C2CCCC2)CC1 ZINC001676064295 1357100096 /nfs/dbraw/zinc/10/00/96/1357100096.db2.gz XKXFIRHWCBIYLC-IBGZPJMESA-N 2 2 349.519 2.129 10 30 EEEELP C=CCC[NH+](C)C1CCN(C(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)CC1 ZINC001676064295 1357100098 /nfs/dbraw/zinc/10/00/98/1357100098.db2.gz XKXFIRHWCBIYLC-IBGZPJMESA-N 2 2 349.519 2.129 10 30 EEEELP C=CCC[NH+](C)C1CCN(C(=O)[C@@H]2COCC[N@H+]2C2CCCC2)CC1 ZINC001676064295 1357100101 /nfs/dbraw/zinc/10/01/01/1357100101.db2.gz XKXFIRHWCBIYLC-IBGZPJMESA-N 2 2 349.519 2.129 10 30 EEEELP C=CCC[NH2+][C@@H](CCN(C)C(=O)[C@@H]1CCn2c[nH+]cc2C1)C(C)C ZINC001570777518 1343114392 /nfs/dbraw/zinc/11/43/92/1343114392.db2.gz RJJZPMMPCHNXHF-AEFFLSMTSA-N 2 2 332.492 2.484 10 30 EEEELP C=CCC[C@@H](C)[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001571132722 1343164057 /nfs/dbraw/zinc/16/40/57/1343164057.db2.gz XJAXLBALZMBRPF-WCXIOVBPSA-N 2 2 330.476 2.285 10 30 EEEELP C=CCC[NH2+][C@@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)CC[C@@H]1C(F)(F)F ZINC001677376783 1357324313 /nfs/dbraw/zinc/32/43/13/1357324313.db2.gz ZAJITTKQSMKOGR-GXTWGEPZSA-N 2 2 344.381 2.206 10 30 EEEELP C=CC[NH+](CC=C)[C@@H](CNC(=O)NCc1ccc[nH+]c1N)C(C)C ZINC001665701833 1355364901 /nfs/dbraw/zinc/36/49/01/1355364901.db2.gz PQUTYHFTFDJIPB-INIZCTEOSA-N 2 2 331.464 2.162 10 30 EEEELP C#CCC[NH2+]Cc1ccc(CNC(=O)Cc2c[nH+]ccc2OC)cc1 ZINC001666337775 1355512479 /nfs/dbraw/zinc/51/24/79/1355512479.db2.gz QWITXTHYLSMZJB-UHFFFAOYSA-N 2 2 337.423 2.062 10 30 EEEELP C#CC[NH2+]CCN(Cc1ccccc1)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001672393092 1356514352 /nfs/dbraw/zinc/51/43/52/1356514352.db2.gz WAQPORCEQAOKNG-UHFFFAOYSA-N 2 2 332.407 2.428 10 30 EEEELP N#Cc1cccc(C[N@H+]2CCCC[C@@H]2CNC(=O)C[NH+]2CCCC2)c1 ZINC001437054383 1088947154 /nfs/dbraw/zinc/94/71/54/1088947154.db2.gz YHMCUHMVJZNNCS-LJQANCHMSA-N 2 2 340.471 2.125 10 30 EEEELP C=C(Cl)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H](F)C[NH+](CC)CC ZINC001447155977 1102101596 /nfs/dbraw/zinc/10/15/96/1102101596.db2.gz JXFVGMLRCAPRFI-BZUAXINKSA-N 2 2 345.890 2.484 10 30 EEEELP C=C(Cl)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H](F)C[NH+](CC)CC ZINC001447155977 1102101600 /nfs/dbraw/zinc/10/16/00/1102101600.db2.gz JXFVGMLRCAPRFI-BZUAXINKSA-N 2 2 345.890 2.484 10 30 EEEELP C[N@H+](CC(=O)NC[C@H]1CC[NH+]1CC#Cc1ccccc1)CC(C)(C)C ZINC001499066085 1108529970 /nfs/dbraw/zinc/52/99/70/1108529970.db2.gz CFHXJWXOZWNAMQ-LJQANCHMSA-N 2 2 341.499 2.207 10 30 EEEELP C[N@@H+](CC(=O)NC[C@H]1CC[NH+]1CC#Cc1ccccc1)CC(C)(C)C ZINC001499066085 1108529980 /nfs/dbraw/zinc/52/99/80/1108529980.db2.gz CFHXJWXOZWNAMQ-LJQANCHMSA-N 2 2 341.499 2.207 10 30 EEEELP C[NH+](CC(=O)NC[C@H]1CC[N@@H+]1CC#Cc1ccccc1)CC(C)(C)C ZINC001499066085 1108529990 /nfs/dbraw/zinc/52/99/90/1108529990.db2.gz CFHXJWXOZWNAMQ-LJQANCHMSA-N 2 2 341.499 2.207 10 30 EEEELP C[NH+](CC(=O)NC[C@H]1CC[N@H+]1CC#Cc1ccccc1)CC(C)(C)C ZINC001499066085 1108529993 /nfs/dbraw/zinc/52/99/93/1108529993.db2.gz CFHXJWXOZWNAMQ-LJQANCHMSA-N 2 2 341.499 2.207 10 30 EEEELP C=C(C)C[NH+]1CCC(C)(CNC(=O)[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC001500434006 1112828764 /nfs/dbraw/zinc/82/87/64/1112828764.db2.gz RNXFIDCMYNFBMB-INIZCTEOSA-N 2 2 330.476 2.240 10 30 EEEELP C=C(C)C[N@@H+]1CCC[C@@](C)(CNC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001500504854 1112896096 /nfs/dbraw/zinc/89/60/96/1112896096.db2.gz DGNLPLUOFTZHHM-LPHOPBHVSA-N 2 2 330.476 2.240 10 30 EEEELP C=C(C)C[N@H+]1CCC[C@@](C)(CNC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001500504854 1112896098 /nfs/dbraw/zinc/89/60/98/1112896098.db2.gz DGNLPLUOFTZHHM-LPHOPBHVSA-N 2 2 330.476 2.240 10 30 EEEELP C=C(Br)C[NH2+]CC[C@@H](C)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001568682324 1124694995 /nfs/dbraw/zinc/69/49/95/1124694995.db2.gz IZBPOVZVDNKAGJ-OLZOCXBDSA-N 2 2 343.269 2.227 10 30 EEEELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CC(=O)Nc1oc(C)c(C)c1C#N ZINC000154570450 282214614 /nfs/dbraw/zinc/21/46/14/282214614.db2.gz QTFRBLNVLQEWLD-HNNXBMFYSA-N 2 2 341.415 2.376 10 30 EEEELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CC(=O)Nc1oc(C)c(C)c1C#N ZINC000154570450 282214615 /nfs/dbraw/zinc/21/46/15/282214615.db2.gz QTFRBLNVLQEWLD-HNNXBMFYSA-N 2 2 341.415 2.376 10 30 EEEELP O=C(Nc1nc(C[NH+]2CCCCC2)cs1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000329391778 539773204 /nfs/dbraw/zinc/77/32/04/539773204.db2.gz VOAPNYGKMZPDTO-OAHLLOKOSA-N 2 2 349.504 2.455 10 30 EEEELP O=C(Nc1nc(C[NH+]2CCCCC2)cs1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000329391778 539773207 /nfs/dbraw/zinc/77/32/07/539773207.db2.gz VOAPNYGKMZPDTO-OAHLLOKOSA-N 2 2 349.504 2.455 10 30 EEEELP N#Cc1ccc2[nH+]cc(CNc3cccc(C[N@H+]4CC[C@@H](O)C4)c3)n2c1 ZINC000567007516 319339457 /nfs/dbraw/zinc/33/94/57/319339457.db2.gz ZOFWYCGERMDUFQ-LJQANCHMSA-N 2 2 347.422 2.385 10 30 EEEELP N#Cc1ccc2[nH+]cc(CNc3cccc(C[N@@H+]4CC[C@@H](O)C4)c3)n2c1 ZINC000567007516 319339460 /nfs/dbraw/zinc/33/94/60/319339460.db2.gz ZOFWYCGERMDUFQ-LJQANCHMSA-N 2 2 347.422 2.385 10 30 EEEELP CC[NH+](CC)[C@@H]1CCN(C(=O)NC[C@@H]2CCCn3cc(C)[nH+]c32)C1 ZINC000328637665 465083079 /nfs/dbraw/zinc/08/30/79/465083079.db2.gz BATXTJJIDNMWQC-JKSUJKDBSA-N 2 2 333.480 2.399 10 30 EEEELP COc1cc(C#N)ccc1C[NH+]1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000120904830 463053638 /nfs/dbraw/zinc/05/36/38/463053638.db2.gz ZIVZJDYPXNGWQF-IBGZPJMESA-N 2 2 342.487 2.169 10 30 EEEELP COc1cc(C#N)ccc1C[NH+]1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000120904830 463053641 /nfs/dbraw/zinc/05/36/41/463053641.db2.gz ZIVZJDYPXNGWQF-IBGZPJMESA-N 2 2 342.487 2.169 10 30 EEEELP [NH2+]=C(NC[C@H]1C[N@@H+](C2CC2)CCO1)Nc1cccc2c1CCCC2 ZINC000262714301 464039904 /nfs/dbraw/zinc/03/99/04/464039904.db2.gz RDKGHOGSRREVSM-INIZCTEOSA-N 2 2 328.460 2.155 10 30 EEEELP [NH2+]=C(NC[C@H]1C[N@H+](C2CC2)CCO1)Nc1cccc2c1CCCC2 ZINC000262714301 464039907 /nfs/dbraw/zinc/03/99/07/464039907.db2.gz RDKGHOGSRREVSM-INIZCTEOSA-N 2 2 328.460 2.155 10 30 EEEELP C[NH+]1CCN([C@H]2CCCC[N@H+](Cc3cc(C#N)ccc3F)C2)CC1 ZINC000174874895 464461023 /nfs/dbraw/zinc/46/10/23/464461023.db2.gz LDRZFENFTAFCCW-SFHVURJKSA-N 2 2 330.451 2.299 10 30 EEEELP C[NH+]1CCN([C@H]2CCCC[N@@H+](Cc3cc(C#N)ccc3F)C2)CC1 ZINC000174874895 464461032 /nfs/dbraw/zinc/46/10/32/464461032.db2.gz LDRZFENFTAFCCW-SFHVURJKSA-N 2 2 330.451 2.299 10 30 EEEELP Cc1nsc(N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)c1C#N ZINC000367330586 466271101 /nfs/dbraw/zinc/27/11/01/466271101.db2.gz ABYNITPWNGVHDJ-YIONKMFJSA-N 2 2 331.489 2.070 10 30 EEEELP Cc1nsc(N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)c1C#N ZINC000367330586 466271107 /nfs/dbraw/zinc/27/11/07/466271107.db2.gz ABYNITPWNGVHDJ-YIONKMFJSA-N 2 2 331.489 2.070 10 30 EEEELP CN(CC(C)(C)C#N)C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000458462892 467839425 /nfs/dbraw/zinc/83/94/25/467839425.db2.gz GHLWTIZEHGDGMA-UHFFFAOYSA-N 2 2 349.523 2.128 10 30 EEEELP N#Cc1ccc(C[NH+]2CCN([C@H]3CC[NH2+]C3)CC2)c(C(F)(F)F)c1 ZINC000595895391 469068941 /nfs/dbraw/zinc/06/89/41/469068941.db2.gz LFWPLVLQMFWIKI-HNNXBMFYSA-N 2 2 338.377 2.057 10 30 EEEELP C[NH+]1CCC([N@@H+]2CC[C@H](Nc3nc4ncccc4cc3C#N)C2)CC1 ZINC000596121586 469165906 /nfs/dbraw/zinc/16/59/06/469165906.db2.gz FSFQDGNJSONXJY-INIZCTEOSA-N 2 2 336.443 2.082 10 30 EEEELP C[NH+]1CCC([N@H+]2CC[C@H](Nc3nc4ncccc4cc3C#N)C2)CC1 ZINC000596121586 469165908 /nfs/dbraw/zinc/16/59/08/469165908.db2.gz FSFQDGNJSONXJY-INIZCTEOSA-N 2 2 336.443 2.082 10 30 EEEELP C=CCC[C@@H](C)[NH+]1CC(NC(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001481584557 1181793075 /nfs/dbraw/zinc/79/30/75/1181793075.db2.gz UUZAPXQENXXOAY-CQSZACIVSA-N 2 2 332.448 2.039 10 30 EEEELP CC(C)[N@H+](C)CC(=O)N[C@H]1CC[NH+](CC#Cc2ccc(Cl)cc2)C1 ZINC001481696857 1182224173 /nfs/dbraw/zinc/22/41/73/1182224173.db2.gz DSZKXSKWTHHSCO-SFHVURJKSA-N 2 2 347.890 2.222 10 30 EEEELP CC(C)[NH+](C)CC(=O)N[C@H]1CC[N@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC001481696857 1182224187 /nfs/dbraw/zinc/22/41/87/1182224187.db2.gz DSZKXSKWTHHSCO-SFHVURJKSA-N 2 2 347.890 2.222 10 30 EEEELP CC(C)[NH+](C)CC(=O)N[C@H]1CC[N@@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC001481696857 1182224193 /nfs/dbraw/zinc/22/41/93/1182224193.db2.gz DSZKXSKWTHHSCO-SFHVURJKSA-N 2 2 347.890 2.222 10 30 EEEELP C[C@@H](CC[NH2+]Cc1ccc(C#N)cc1)NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001268405291 1182518776 /nfs/dbraw/zinc/51/87/76/1182518776.db2.gz LSRMSCSYCCNPLN-GJZGRUSLSA-N 2 2 339.443 2.145 10 30 EEEELP C[C@@H](CC[NH2+]Cc1ccc(C#N)cc1)NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001268405291 1182518779 /nfs/dbraw/zinc/51/87/79/1182518779.db2.gz LSRMSCSYCCNPLN-GJZGRUSLSA-N 2 2 339.443 2.145 10 30 EEEELP C=CCCC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCc3[nH+]ccn3C1)CC2 ZINC001482243489 1184629484 /nfs/dbraw/zinc/62/94/84/1184629484.db2.gz RXVHVKRZYBWQCG-QGZVFWFLSA-N 2 2 342.487 2.336 10 30 EEEELP C#CCN(C(=O)C[C@@H](C)n1cc[nH+]c1)C1CC[NH+](CCCF)CC1 ZINC001270345564 1185033838 /nfs/dbraw/zinc/03/38/38/1185033838.db2.gz GYHLCRYCFBFLCN-MRXNPFEDSA-N 2 2 334.439 2.120 10 30 EEEELP CC(C)C[C@H](C[NH2+]Cc1ccc(C#N)s1)NC(=O)Cn1cc[nH+]c1 ZINC001482400180 1185618739 /nfs/dbraw/zinc/61/87/39/1185618739.db2.gz HDUPXPZWBJTTSC-CQSZACIVSA-N 2 2 345.472 2.137 10 30 EEEELP C=CCCC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001271100931 1185888634 /nfs/dbraw/zinc/88/86/34/1185888634.db2.gz OZDIUPLEBUHFSA-CQSZACIVSA-N 2 2 340.418 2.002 10 30 EEEELP C=CCCC[N@H+]1CCC(F)(F)[C@H](CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001271100931 1185888642 /nfs/dbraw/zinc/88/86/42/1185888642.db2.gz OZDIUPLEBUHFSA-CQSZACIVSA-N 2 2 340.418 2.002 10 30 EEEELP C=CCC[C@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(=O)N(C)C)[C@@H]1CCCO1 ZINC000883183534 1202027677 /nfs/dbraw/zinc/02/76/77/1202027677.db2.gz DIRAGDOEDBBUJF-BZSNNMDCSA-N 2 2 337.508 2.033 10 30 EEEELP C=CCC[C@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C)[C@@H]1CCCO1 ZINC000883183534 1202027678 /nfs/dbraw/zinc/02/76/78/1202027678.db2.gz DIRAGDOEDBBUJF-BZSNNMDCSA-N 2 2 337.508 2.033 10 30 EEEELP C#CCC[N@H+]1CCCC[C@H]1CNC(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001491212954 1258786612 /nfs/dbraw/zinc/78/66/12/1258786612.db2.gz FNABZMMUPOLITB-ROUUACIJSA-N 2 2 330.476 2.464 10 30 EEEELP C#CCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001491212954 1258786617 /nfs/dbraw/zinc/78/66/17/1258786617.db2.gz FNABZMMUPOLITB-ROUUACIJSA-N 2 2 330.476 2.464 10 30 EEEELP C[C@H](CCC[NH2+]Cc1cc(C#N)ccc1F)NC(=O)Cc1[nH]cc[nH+]1 ZINC001277329846 1302447764 /nfs/dbraw/zinc/44/77/64/1302447764.db2.gz UZINQAGNNNJEAR-CYBMUJFWSA-N 2 2 343.406 2.038 10 30 EEEELP C=CCC[N@@H+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001316805267 1331902905 /nfs/dbraw/zinc/90/29/05/1331902905.db2.gz TXNFNTKVWBPRJZ-SJORKVTESA-N 2 2 330.476 2.335 10 30 EEEELP C=CCC[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001316805267 1331902906 /nfs/dbraw/zinc/90/29/06/1331902906.db2.gz TXNFNTKVWBPRJZ-SJORKVTESA-N 2 2 330.476 2.335 10 30 EEEELP C=CC[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001316873107 1331943003 /nfs/dbraw/zinc/94/30/03/1331943003.db2.gz DVZXPSNLPXJSFA-WBVHZDCISA-N 2 2 330.476 2.307 10 30 EEEELP C=C(C)C[NH2+][C@H](CNC(=O)CCc1c[nH+]cn1C)c1ccccc1 ZINC001317727619 1332390667 /nfs/dbraw/zinc/39/06/67/1332390667.db2.gz VFJSMNJVQLRHRN-GOSISDBHSA-N 2 2 326.444 2.376 10 30 EEEELP C=CCC[NH2+][C@H]1CC[C@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)CC1 ZINC001318952779 1332628430 /nfs/dbraw/zinc/62/84/30/1332628430.db2.gz KCBNNYGLZCXUCE-WKILWMFISA-N 2 2 330.476 2.355 10 30 EEEELP C[C@@H](CC(=O)N(C)CCC[NH2+]CC#Cc1ccccc1)n1cc[nH+]c1 ZINC001322716993 1333312712 /nfs/dbraw/zinc/31/27/12/1333312712.db2.gz SFWYBHWROONFKX-SFHVURJKSA-N 2 2 338.455 2.324 10 30 EEEELP C=CCCC[NH2+]C[C@@H]1CCCN1C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001324161463 1333624738 /nfs/dbraw/zinc/62/47/38/1333624738.db2.gz GHFZHXKPLUXPNT-KRWDZBQOSA-N 2 2 330.476 2.309 10 30 EEEELP C=CCCCCC[NH+]1CCOC[C@@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001326646159 1334132458 /nfs/dbraw/zinc/13/24/58/1334132458.db2.gz CJLWVRGBOCHTBU-ROUUACIJSA-N 2 2 337.508 2.034 10 30 EEEELP C=CCCCCC[NH+]1CCOC[C@@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001326646159 1334132461 /nfs/dbraw/zinc/13/24/61/1334132461.db2.gz CJLWVRGBOCHTBU-ROUUACIJSA-N 2 2 337.508 2.034 10 30 EEEELP C=CCCCCC[N@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001326646159 1334132467 /nfs/dbraw/zinc/13/24/67/1334132467.db2.gz CJLWVRGBOCHTBU-ROUUACIJSA-N 2 2 337.508 2.034 10 30 EEEELP C=CCCCCC[N@@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001326646159 1334132471 /nfs/dbraw/zinc/13/24/71/1334132471.db2.gz CJLWVRGBOCHTBU-ROUUACIJSA-N 2 2 337.508 2.034 10 30 EEEELP C=C(C)C[NH2+]Cc1ccc(CNC(=O)Cc2c[nH+]cn2C)c(F)c1 ZINC001333479343 1336056441 /nfs/dbraw/zinc/05/64/41/1336056441.db2.gz IXRMXODVSSQEJI-UHFFFAOYSA-N 2 2 330.407 2.084 10 30 EEEELP C=C(C)CC[NH2+][C@H]1CN(C(=O)[C@H]2CCc3c[nH+]cn3C2)CC1(C)C ZINC001507438866 1342320527 /nfs/dbraw/zinc/32/05/27/1342320527.db2.gz CUJOQTMDGRTWFH-RDJZCZTQSA-N 2 2 330.476 2.238 10 30 EEEELP C=CCCC[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001567192768 1342708976 /nfs/dbraw/zinc/70/89/76/1342708976.db2.gz GPUOKPVZXCLWTA-SJORKVTESA-N 2 2 330.476 2.335 10 30 EEEELP C=CCCC[N@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001567192768 1342708979 /nfs/dbraw/zinc/70/89/79/1342708979.db2.gz GPUOKPVZXCLWTA-SJORKVTESA-N 2 2 330.476 2.335 10 30 EEEELP C=C(Br)C[N@H+]1CC[C@@](C)(NC(=O)CCCC[NH+](C)C)C1 ZINC001569651938 1342918370 /nfs/dbraw/zinc/91/83/70/1342918370.db2.gz XPKRYGCXUOAQEX-OAHLLOKOSA-N 2 2 346.313 2.208 10 30 EEEELP C=C(Br)C[N@@H+]1CC[C@@](C)(NC(=O)CCCC[NH+](C)C)C1 ZINC001569651938 1342918373 /nfs/dbraw/zinc/91/83/73/1342918373.db2.gz XPKRYGCXUOAQEX-OAHLLOKOSA-N 2 2 346.313 2.208 10 30 EEEELP C#CC[NH2+]C1(CNC(=O)C(C)C)CC[NH+](Cc2ccccc2)CC1 ZINC001571650843 1343262911 /nfs/dbraw/zinc/26/29/11/1343262911.db2.gz HFOYZQAYNAZABD-UHFFFAOYSA-N 2 2 327.472 2.016 10 30 EEEELP C=CCCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001661258072 1354619084 /nfs/dbraw/zinc/61/90/84/1354619084.db2.gz VCHZDNMLSRJAGI-YESZJQIVSA-N 2 2 328.460 2.087 10 30 EEEELP C=CCCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001661258072 1354619088 /nfs/dbraw/zinc/61/90/88/1354619088.db2.gz VCHZDNMLSRJAGI-YESZJQIVSA-N 2 2 328.460 2.087 10 30 EEEELP C[N@@H+](CC#Cc1cccc(Cl)c1)CCNC(=O)[C@@H]1CCCC[NH+]1C ZINC001663253513 1354941266 /nfs/dbraw/zinc/94/12/66/1354941266.db2.gz AHYZUAKXGZNRTQ-SFHVURJKSA-N 2 2 347.890 2.224 10 30 EEEELP C[N@H+](CC#Cc1cccc(Cl)c1)CCNC(=O)[C@@H]1CCCC[NH+]1C ZINC001663253513 1354941270 /nfs/dbraw/zinc/94/12/70/1354941270.db2.gz AHYZUAKXGZNRTQ-SFHVURJKSA-N 2 2 347.890 2.224 10 30 EEEELP C[NH+](CC#Cc1cccc(Cl)c1)CCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001663253513 1354941272 /nfs/dbraw/zinc/94/12/72/1354941272.db2.gz AHYZUAKXGZNRTQ-SFHVURJKSA-N 2 2 347.890 2.224 10 30 EEEELP C[NH+](CC#Cc1cccc(Cl)c1)CCNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001663253513 1354941275 /nfs/dbraw/zinc/94/12/75/1354941275.db2.gz AHYZUAKXGZNRTQ-SFHVURJKSA-N 2 2 347.890 2.224 10 30 EEEELP CC[N@@H+](CC#Cc1ccccc1)CCNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001663431258 1354961692 /nfs/dbraw/zinc/96/16/92/1354961692.db2.gz VDGPGICHYLNGAP-GOSISDBHSA-N 2 2 338.455 2.324 10 30 EEEELP CC[N@H+](CC#Cc1ccccc1)CCNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001663431258 1354961693 /nfs/dbraw/zinc/96/16/93/1354961693.db2.gz VDGPGICHYLNGAP-GOSISDBHSA-N 2 2 338.455 2.324 10 30 EEEELP C=CCCC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2COCC[NH+]2C2CCCC2)C1 ZINC001663612979 1355000839 /nfs/dbraw/zinc/00/08/39/1355000839.db2.gz KGXGCIQNDBYEAS-HKUYNNGSSA-N 2 2 349.519 2.034 10 30 EEEELP C=CCCC[N@H+]1CC[C@@H](CNC(=O)[C@@H]2COCC[NH+]2C2CCCC2)C1 ZINC001663612979 1355000843 /nfs/dbraw/zinc/00/08/43/1355000843.db2.gz KGXGCIQNDBYEAS-HKUYNNGSSA-N 2 2 349.519 2.034 10 30 EEEELP C=CCCC[NH+]1CC[C@@H](CNC(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC001663612979 1355000845 /nfs/dbraw/zinc/00/08/45/1355000845.db2.gz KGXGCIQNDBYEAS-HKUYNNGSSA-N 2 2 349.519 2.034 10 30 EEEELP C=CCCC[NH+]1CC[C@@H](CNC(=O)[C@@H]2COCC[N@H+]2C2CCCC2)C1 ZINC001663612979 1355000848 /nfs/dbraw/zinc/00/08/48/1355000848.db2.gz KGXGCIQNDBYEAS-HKUYNNGSSA-N 2 2 349.519 2.034 10 30 EEEELP O=C(CCC[NH+]1CCCC1)NC[C@@H]1CC[N@@H+]1CC#Cc1ccccc1 ZINC001699643603 1405428666 /nfs/dbraw/zinc/42/86/66/1405428666.db2.gz ZQSOLPRCRQGELC-FQEVSTJZSA-N 2 2 339.483 2.105 10 30 EEEELP O=C(CCC[NH+]1CCCC1)NC[C@@H]1CC[N@H+]1CC#Cc1ccccc1 ZINC001699643603 1405428670 /nfs/dbraw/zinc/42/86/70/1405428670.db2.gz ZQSOLPRCRQGELC-FQEVSTJZSA-N 2 2 339.483 2.105 10 30 EEEELP CCCCCCC[NH+]1CCC(C)(NC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001699771873 1405479103 /nfs/dbraw/zinc/47/91/03/1405479103.db2.gz PIXVSZFUKAMPHK-KRWDZBQOSA-N 2 2 339.524 2.258 10 30 EEEELP CCCCCCC[NH+]1CCC(C)(NC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001699771873 1405479110 /nfs/dbraw/zinc/47/91/10/1405479110.db2.gz PIXVSZFUKAMPHK-KRWDZBQOSA-N 2 2 339.524 2.258 10 30 EEEELP C=CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)C(C)(C)C1 ZINC000940851624 779434373 /nfs/dbraw/zinc/43/43/73/779434373.db2.gz ZPSKFLHCQDVTPW-WBVHZDCISA-N 2 2 330.476 2.238 10 30 EEEELP C=CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)C(C)(C)C1 ZINC000940851624 779434376 /nfs/dbraw/zinc/43/43/76/779434376.db2.gz ZPSKFLHCQDVTPW-WBVHZDCISA-N 2 2 330.476 2.238 10 30 EEEELP CN(CCC#N)c1ccc(C[NH2+]C[C@H]2CC[N@@H+]2C2CCOCC2)cc1 ZINC000922951444 788428199 /nfs/dbraw/zinc/42/81/99/788428199.db2.gz OEDGPVXZXPPAMB-HXUWFJFHSA-N 2 2 342.487 2.379 10 30 EEEELP CN(CCC#N)c1ccc(C[NH2+]C[C@H]2CC[N@H+]2C2CCOCC2)cc1 ZINC000922951444 788428205 /nfs/dbraw/zinc/42/82/05/788428205.db2.gz OEDGPVXZXPPAMB-HXUWFJFHSA-N 2 2 342.487 2.379 10 30 EEEELP C[C@H](CNC(=O)C[C@H](C)n1cc[nH+]c1)[N@H+](C)Cc1cccc(C#N)c1 ZINC001440973700 1094232821 /nfs/dbraw/zinc/23/28/21/1094232821.db2.gz JVXIIFBCJDVOFV-JKSUJKDBSA-N 2 2 339.443 2.343 10 30 EEEELP C[C@H](CNC(=O)C[C@H](C)n1cc[nH+]c1)[N@@H+](C)Cc1cccc(C#N)c1 ZINC001440973700 1094232825 /nfs/dbraw/zinc/23/28/25/1094232825.db2.gz JVXIIFBCJDVOFV-JKSUJKDBSA-N 2 2 339.443 2.343 10 30 EEEELP CC[C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)[NH2+]Cc1ccc(C#N)cc1 ZINC001443944058 1098464337 /nfs/dbraw/zinc/46/43/37/1098464337.db2.gz XEHXVVAFKIZPCK-GVDBMIGSSA-N 2 2 337.427 2.069 10 30 EEEELP CC[C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)[NH2+]Cc1ccc(C#N)cc1 ZINC001443944058 1098464339 /nfs/dbraw/zinc/46/43/39/1098464339.db2.gz XEHXVVAFKIZPCK-GVDBMIGSSA-N 2 2 337.427 2.069 10 30 EEEELP C=CCCC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001479476776 1098557803 /nfs/dbraw/zinc/55/78/03/1098557803.db2.gz XGSPCGFTMRHVHD-YLFCFFPRSA-N 2 2 330.476 2.364 10 30 EEEELP C=C(Br)C[N@H+](C)CCCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001479787901 1098989830 /nfs/dbraw/zinc/98/98/30/1098989830.db2.gz GDWOWBJUIVLIAJ-UHFFFAOYSA-N 2 2 346.313 2.208 10 30 EEEELP C=C(Br)C[N@@H+](C)CCCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001479787901 1098989836 /nfs/dbraw/zinc/98/98/36/1098989836.db2.gz GDWOWBJUIVLIAJ-UHFFFAOYSA-N 2 2 346.313 2.208 10 30 EEEELP C#CCC[NH+]1CCC(N(CCC)C(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC001479993083 1099456742 /nfs/dbraw/zinc/45/67/42/1099456742.db2.gz JIPDHOLBTFOUOG-QGZVFWFLSA-N 2 2 342.487 2.172 10 30 EEEELP CC#CC[NH2+]C[C@H]1CCCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001480289939 1100000597 /nfs/dbraw/zinc/00/05/97/1100000597.db2.gz KBCBFKYTMKARPD-QGZVFWFLSA-N 2 2 336.439 2.337 10 30 EEEELP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N(C)CC[N@H+](C)Cc1ccccc1C#N ZINC001496842183 1101581542 /nfs/dbraw/zinc/58/15/42/1101581542.db2.gz UZZBVTAHUDXUAP-IAGOWNOFSA-N 2 2 342.487 2.321 10 30 EEEELP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N(C)CC[N@@H+](C)Cc1ccccc1C#N ZINC001496842183 1101581555 /nfs/dbraw/zinc/58/15/55/1101581555.db2.gz UZZBVTAHUDXUAP-IAGOWNOFSA-N 2 2 342.487 2.321 10 30 EEEELP C#CC[NH+]1CC2(C1)CCN(C(=O)[C@@H](CC(C)C)n1cc[nH+]c1)CC2 ZINC001495978969 1101884227 /nfs/dbraw/zinc/88/42/27/1101884227.db2.gz LRXIUPIADDAQNU-QGZVFWFLSA-N 2 2 328.460 2.028 10 30 EEEELP C=CC[NH2+][C@H](CNC(=O)Cc1cn2c([nH+]1)CCCC2)c1ccccc1 ZINC001493888456 1103048222 /nfs/dbraw/zinc/04/82/22/1103048222.db2.gz HRRPMHPMZSCYPE-GOSISDBHSA-N 2 2 338.455 2.395 10 30 EEEELP C=CCC[N@@H+](C)[C@H]1CCCN(C(=O)[C@H]2COCC[NH+]2C2CCCC2)C1 ZINC001480732896 1107000477 /nfs/dbraw/zinc/00/04/77/1107000477.db2.gz HOTLADKQFYHGMB-RBUKOAKNSA-N 2 2 349.519 2.129 10 30 EEEELP C=CCC[N@H+](C)[C@H]1CCCN(C(=O)[C@H]2COCC[NH+]2C2CCCC2)C1 ZINC001480732896 1107000492 /nfs/dbraw/zinc/00/04/92/1107000492.db2.gz HOTLADKQFYHGMB-RBUKOAKNSA-N 2 2 349.519 2.129 10 30 EEEELP C=CCC[NH+](C)[C@H]1CCCN(C(=O)[C@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC001480732896 1107000507 /nfs/dbraw/zinc/00/05/07/1107000507.db2.gz HOTLADKQFYHGMB-RBUKOAKNSA-N 2 2 349.519 2.129 10 30 EEEELP C=CCC[NH+](C)[C@H]1CCCN(C(=O)[C@H]2COCC[N@H+]2C2CCCC2)C1 ZINC001480732896 1107000510 /nfs/dbraw/zinc/00/05/10/1107000510.db2.gz HOTLADKQFYHGMB-RBUKOAKNSA-N 2 2 349.519 2.129 10 30 EEEELP C=C(C)C[NH2+][C@H](C)C1CCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC001493831566 1108713356 /nfs/dbraw/zinc/71/33/56/1108713356.db2.gz OEGRQCVKWGDRLV-WBVHZDCISA-N 2 2 330.476 2.238 10 30 EEEELP C=CCC[NH2+][C@H](C)C1CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC001493831351 1108713607 /nfs/dbraw/zinc/71/36/07/1108713607.db2.gz NLYQLBZVZCAEBU-WBVHZDCISA-N 2 2 330.476 2.238 10 30 EEEELP C=CCOCC[N@H+]1CCC[C@@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001502138294 1113612379 /nfs/dbraw/zinc/61/23/79/1113612379.db2.gz RQIUIKYGQWVAEB-IAGOWNOFSA-N 2 2 334.464 2.008 10 30 EEEELP C=CCOCC[N@@H+]1CCC[C@@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001502138294 1113612380 /nfs/dbraw/zinc/61/23/80/1113612380.db2.gz RQIUIKYGQWVAEB-IAGOWNOFSA-N 2 2 334.464 2.008 10 30 EEEELP C=CCn1c(C[NH+]2CCCC2)nnc1N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC001520590546 1119178482 /nfs/dbraw/zinc/17/84/82/1119178482.db2.gz RGBBWXFNATUSQE-QGZVFWFLSA-N 2 2 344.507 2.125 10 30 EEEELP C=C(C)CC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC001568295360 1124410146 /nfs/dbraw/zinc/41/01/46/1124410146.db2.gz SUSQDVRBLVFZLZ-AEFFLSMTSA-N 2 2 337.508 2.033 10 30 EEEELP C=C(C)CC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC001568295360 1124410148 /nfs/dbraw/zinc/41/01/48/1124410148.db2.gz SUSQDVRBLVFZLZ-AEFFLSMTSA-N 2 2 337.508 2.033 10 30 EEEELP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NC[C@@H]1CCCn2cc[nH+]c21 ZINC000328616771 465072954 /nfs/dbraw/zinc/07/29/54/465072954.db2.gz SVRWMKSEZXQOLS-ARFHVFGLSA-N 2 2 331.464 2.233 10 30 EEEELP CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NC[C@@H]1CCCn2cc[nH+]c21 ZINC000328616771 465072960 /nfs/dbraw/zinc/07/29/60/465072960.db2.gz SVRWMKSEZXQOLS-ARFHVFGLSA-N 2 2 331.464 2.233 10 30 EEEELP Cc1cccc(NC[C@@H]2CC[N@@H+](CC(=O)N[C@](C)(C#N)C(C)C)C2)[nH+]1 ZINC000249862246 464920899 /nfs/dbraw/zinc/92/08/99/464920899.db2.gz GNYWRMFLXBIFCR-QFBILLFUSA-N 2 2 343.475 2.178 10 30 EEEELP Cc1cccc(NC[C@@H]2CC[N@H+](CC(=O)N[C@](C)(C#N)C(C)C)C2)[nH+]1 ZINC000249862246 464920902 /nfs/dbraw/zinc/92/09/02/464920902.db2.gz GNYWRMFLXBIFCR-QFBILLFUSA-N 2 2 343.475 2.178 10 30 EEEELP C[NH+](C)C1CC[NH+](Cc2cn(CCC#N)nc2-c2ccncc2)CC1 ZINC000435130639 467449021 /nfs/dbraw/zinc/44/90/21/467449021.db2.gz QTWJMDMPLPIMDD-UHFFFAOYSA-N 2 2 338.459 2.385 10 30 EEEELP C[NH+](C)[C@@H](CNC(=O)[C@@H]([NH3+])CCCCC#N)c1c(F)cccc1F ZINC000594437679 468587235 /nfs/dbraw/zinc/58/72/35/468587235.db2.gz KQMPRRCTIIYSAB-GJZGRUSLSA-N 2 2 338.402 2.095 10 30 EEEELP C=CC[C@]1(C(=O)NCc2[nH+]ccn2CCc2ccccc2)CCC[NH2+]1 ZINC000662753318 472237347 /nfs/dbraw/zinc/23/73/47/472237347.db2.gz YHESPFJHMOMORJ-HXUWFJFHSA-N 2 2 338.455 2.440 10 30 EEEELP C=CCC[NH2+][C@H](C)C1CCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC001267488760 1179157781 /nfs/dbraw/zinc/15/77/81/1179157781.db2.gz NNXBDKAHYXNWCQ-WBVHZDCISA-N 2 2 330.476 2.238 10 30 EEEELP C=C(C)C[NH2+][C@H](CNC(=O)[C@H]1CCc2[nH+]ccn2C1)c1ccccc1 ZINC001481364774 1181130824 /nfs/dbraw/zinc/13/08/24/1181130824.db2.gz FYNKJCJSNCJSNB-ZWKOTPCHSA-N 2 2 338.455 2.469 10 30 EEEELP C#CCC[NH2+][C@H]1CCN(C(=O)Cc2cn3cccc(C)c3[nH+]2)C[C@H]1C ZINC001268140287 1181801969 /nfs/dbraw/zinc/80/19/69/1181801969.db2.gz XIPUOKJTJCNLEE-AEFFLSMTSA-N 2 2 338.455 2.035 10 30 EEEELP C=C(C)CC[NH2+]CC=CCNC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1 ZINC001268541554 1183210828 /nfs/dbraw/zinc/21/08/28/1183210828.db2.gz GZUHSOYGSGWPNE-BDUNBXCCSA-N 2 2 331.464 2.018 10 30 EEEELP C=C(C)CC[NH2+]CC=CCNC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1 ZINC001268541554 1183210837 /nfs/dbraw/zinc/21/08/37/1183210837.db2.gz GZUHSOYGSGWPNE-BDUNBXCCSA-N 2 2 331.464 2.018 10 30 EEEELP C=C(C)C[NH2+]C[C@@H](NC(=O)Cc1c[nH+]ccc1OC)C1CCCC1 ZINC001270414473 1185087603 /nfs/dbraw/zinc/08/76/03/1185087603.db2.gz NWAHVIIGJBLJCO-QGZVFWFLSA-N 2 2 331.460 2.473 10 30 EEEELP C=CCCC[NH2+]C[C@H](C)N(C)C(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC001482325118 1185383677 /nfs/dbraw/zinc/38/36/77/1185383677.db2.gz UQKBFSOYOVDVHC-FUHWJXTLSA-N 2 2 337.508 2.033 10 30 EEEELP C=CCCC[NH2+]C[C@H](C)N(C)C(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC001482325118 1185383682 /nfs/dbraw/zinc/38/36/82/1185383682.db2.gz UQKBFSOYOVDVHC-FUHWJXTLSA-N 2 2 337.508 2.033 10 30 EEEELP C#CCC[NH2+]C[C@H](NC(=O)[C@H](C)Cc1c[nH]c[nH+]1)C1CCCCC1 ZINC001271347845 1186153976 /nfs/dbraw/zinc/15/39/76/1186153976.db2.gz SJEBJIWCDWKFMX-QAPCUYQASA-N 2 2 330.476 2.266 10 30 EEEELP C#CCC[NH2+]C[C@H](NC(=O)[C@H](C)Cc1c[nH+]c[nH]1)C1CCCCC1 ZINC001271347845 1186153981 /nfs/dbraw/zinc/15/39/81/1186153981.db2.gz SJEBJIWCDWKFMX-QAPCUYQASA-N 2 2 330.476 2.266 10 30 EEEELP CC(C)(C(=O)N1CCC([N@H+](CC#N)CC2CC2)CC1)[NH+]1CCCC1 ZINC001670985545 1193538827 /nfs/dbraw/zinc/53/88/27/1193538827.db2.gz UQPPXVQWRKSBMV-UHFFFAOYSA-N 2 2 332.492 2.087 10 30 EEEELP CC(C)(C(=O)N1CCC([N@@H+](CC#N)CC2CC2)CC1)[NH+]1CCCC1 ZINC001670985545 1193538830 /nfs/dbraw/zinc/53/88/30/1193538830.db2.gz UQPPXVQWRKSBMV-UHFFFAOYSA-N 2 2 332.492 2.087 10 30 EEEELP CCCCCCC[N@@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001272876487 1193589241 /nfs/dbraw/zinc/58/92/41/1193589241.db2.gz GMMKFCFZWSKPGB-ROUUACIJSA-N 2 2 339.524 2.258 10 30 EEEELP CCCCCCC[N@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001272876487 1193589243 /nfs/dbraw/zinc/58/92/43/1193589243.db2.gz GMMKFCFZWSKPGB-ROUUACIJSA-N 2 2 339.524 2.258 10 30 EEEELP CCCCCCC[NH+]1CCOC[C@@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001272876487 1193589245 /nfs/dbraw/zinc/58/92/45/1193589245.db2.gz GMMKFCFZWSKPGB-ROUUACIJSA-N 2 2 339.524 2.258 10 30 EEEELP CCCCCCC[NH+]1CCOC[C@@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001272876487 1193589247 /nfs/dbraw/zinc/58/92/47/1193589247.db2.gz GMMKFCFZWSKPGB-ROUUACIJSA-N 2 2 339.524 2.258 10 30 EEEELP CN(CCC[NH2+]Cc1ccc(C#N)s1)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001483470769 1190493004 /nfs/dbraw/zinc/49/30/04/1190493004.db2.gz CFXIBEVWGAQPTR-HUUCEWRRSA-N 2 2 343.456 2.085 10 30 EEEELP CN(CCC[NH2+]Cc1ccc(C#N)s1)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001483470769 1190493008 /nfs/dbraw/zinc/49/30/08/1190493008.db2.gz CFXIBEVWGAQPTR-HUUCEWRRSA-N 2 2 343.456 2.085 10 30 EEEELP C=C(C)C[NH+]1CCC(C)(CNC(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC001484137251 1191228581 /nfs/dbraw/zinc/22/85/81/1191228581.db2.gz CNXHZIDDDMAPJX-INIZCTEOSA-N 2 2 330.476 2.240 10 30 EEEELP C=CCC[NH2+]CC1(O)CCN(C(=O)c2c(C)cc(C)[nH+]c2C)CC1 ZINC001484956410 1191591676 /nfs/dbraw/zinc/59/16/76/1191591676.db2.gz KWYOEMBUDGYNFG-UHFFFAOYSA-N 2 2 331.460 2.140 10 30 EEEELP C=CCOCC[NH2+]CC1CC(NC(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001485097775 1191654509 /nfs/dbraw/zinc/65/45/09/1191654509.db2.gz OZYKVZIFKKOPDU-UHFFFAOYSA-N 2 2 331.460 2.307 10 30 EEEELP C=CCCC[NH+](C)[C@H](C)CNC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1 ZINC001485308362 1191727311 /nfs/dbraw/zinc/72/73/11/1191727311.db2.gz VCHNTJZZUCHQNZ-PBHICJAKSA-N 2 2 333.480 2.193 10 30 EEEELP C=CCCC[NH+](C)[C@H](C)CNC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1 ZINC001485308362 1191727314 /nfs/dbraw/zinc/72/73/14/1191727314.db2.gz VCHNTJZZUCHQNZ-PBHICJAKSA-N 2 2 333.480 2.193 10 30 EEEELP C=CCCC[N@@H+](C)[C@H](C)CNC(=O)c1cc([C@@H]2CCC[NH+]2C)n[nH]1 ZINC001485308362 1191727315 /nfs/dbraw/zinc/72/73/15/1191727315.db2.gz VCHNTJZZUCHQNZ-PBHICJAKSA-N 2 2 333.480 2.193 10 30 EEEELP C=CCCC[N@H+](C)[C@H](C)CNC(=O)c1cc([C@@H]2CCC[NH+]2C)n[nH]1 ZINC001485308362 1191727317 /nfs/dbraw/zinc/72/73/17/1191727317.db2.gz VCHNTJZZUCHQNZ-PBHICJAKSA-N 2 2 333.480 2.193 10 30 EEEELP C=C(Cl)C[N@H+]1CC[C@H](N(CCC)C(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001493969323 1191791664 /nfs/dbraw/zinc/79/16/64/1191791664.db2.gz YZFURXUXGMIXTC-HOCLYGCPSA-N 2 2 327.900 2.394 10 30 EEEELP C=C(Cl)C[N@@H+]1CC[C@H](N(CCC)C(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001493969323 1191791665 /nfs/dbraw/zinc/79/16/65/1191791665.db2.gz YZFURXUXGMIXTC-HOCLYGCPSA-N 2 2 327.900 2.394 10 30 EEEELP C=C(Cl)C[NH+]1CC[C@H](N(CCC)C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001493969323 1191791667 /nfs/dbraw/zinc/79/16/67/1191791667.db2.gz YZFURXUXGMIXTC-HOCLYGCPSA-N 2 2 327.900 2.394 10 30 EEEELP C=C(Cl)C[NH+]1CC[C@H](N(CCC)C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001493969323 1191791668 /nfs/dbraw/zinc/79/16/68/1191791668.db2.gz YZFURXUXGMIXTC-HOCLYGCPSA-N 2 2 327.900 2.394 10 30 EEEELP C=CCOCC[N@H+]1CCC[C@@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC001273426754 1198802002 /nfs/dbraw/zinc/80/20/02/1198802002.db2.gz DXEUMQZTRZDDEX-QGZVFWFLSA-N 2 2 348.491 2.100 10 30 EEEELP C=CCOCC[N@@H+]1CCC[C@@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC001273426754 1198802004 /nfs/dbraw/zinc/80/20/04/1198802004.db2.gz DXEUMQZTRZDDEX-QGZVFWFLSA-N 2 2 348.491 2.100 10 30 EEEELP C#CC1(NC(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)CCCC1 ZINC000883468309 1202070974 /nfs/dbraw/zinc/07/09/74/1202070974.db2.gz OGSGCHOPTZHDMQ-UHFFFAOYSA-N 2 2 346.519 2.182 10 30 EEEELP C=CCCC[N@@H+](C)C[C@H](C)NC(=O)[C@H]1COCC[NH+]1C1CCCC1 ZINC001275629118 1205452043 /nfs/dbraw/zinc/45/20/43/1205452043.db2.gz KCIXLAXOZRBUPX-FUHWJXTLSA-N 2 2 337.508 2.033 10 30 EEEELP C=CCCC[N@H+](C)C[C@H](C)NC(=O)[C@H]1COCC[NH+]1C1CCCC1 ZINC001275629118 1205452045 /nfs/dbraw/zinc/45/20/45/1205452045.db2.gz KCIXLAXOZRBUPX-FUHWJXTLSA-N 2 2 337.508 2.033 10 30 EEEELP C=CCCC[NH+](C)C[C@H](C)NC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC001275629118 1205452046 /nfs/dbraw/zinc/45/20/46/1205452046.db2.gz KCIXLAXOZRBUPX-FUHWJXTLSA-N 2 2 337.508 2.033 10 30 EEEELP C=CCCC[NH+](C)C[C@H](C)NC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC001275629118 1205452048 /nfs/dbraw/zinc/45/20/48/1205452048.db2.gz KCIXLAXOZRBUPX-FUHWJXTLSA-N 2 2 337.508 2.033 10 30 EEEELP C=CC[NH2+]CC1(NC(=O)c2cc([C@@H]3CCC[N@H+]3C)n[nH]2)CCCCC1 ZINC001276200995 1205830049 /nfs/dbraw/zinc/83/00/49/1205830049.db2.gz YMTLLZQLYDSRKM-KRWDZBQOSA-N 2 2 345.491 2.385 10 30 EEEELP C=CC[NH2+]CC1(NC(=O)c2cc([C@@H]3CCC[N@@H+]3C)n[nH]2)CCCCC1 ZINC001276200995 1205830051 /nfs/dbraw/zinc/83/00/51/1205830051.db2.gz YMTLLZQLYDSRKM-KRWDZBQOSA-N 2 2 345.491 2.385 10 30 EEEELP C=C(C)CC[NH2+]C[C@H]1CCCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001491156121 1258732621 /nfs/dbraw/zinc/73/26/21/1258732621.db2.gz IGAFSHQMDADFCR-IAGOWNOFSA-N 2 2 330.476 2.240 10 30 EEEELP C#CC[NH+]1CCCC[C@@H]1CNC(=O)[C@H](c1ccccc1)[N@@H+](C)CC ZINC001491229583 1258818143 /nfs/dbraw/zinc/81/81/43/1258818143.db2.gz IRNAUXFNRNBPOH-MOPGFXCFSA-N 2 2 327.472 2.283 10 30 EEEELP C#CC[NH+]1CCCC[C@@H]1CNC(=O)[C@H](c1ccccc1)[N@H+](C)CC ZINC001491229583 1258818152 /nfs/dbraw/zinc/81/81/52/1258818152.db2.gz IRNAUXFNRNBPOH-MOPGFXCFSA-N 2 2 327.472 2.283 10 30 EEEELP C#CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H](c1ccccc1)[NH+](C)CC ZINC001491229583 1258818162 /nfs/dbraw/zinc/81/81/62/1258818162.db2.gz IRNAUXFNRNBPOH-MOPGFXCFSA-N 2 2 327.472 2.283 10 30 EEEELP C#CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H](c1ccccc1)[NH+](C)CC ZINC001491229583 1258818171 /nfs/dbraw/zinc/81/81/71/1258818171.db2.gz IRNAUXFNRNBPOH-MOPGFXCFSA-N 2 2 327.472 2.283 10 30 EEEELP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2CCCCC ZINC001277431773 1302987315 /nfs/dbraw/zinc/98/73/15/1302987315.db2.gz MLCALACTPJZGRC-OTWHNJEPSA-N 2 2 331.504 2.340 10 30 EEEELP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2CCCCC ZINC001277431773 1302987316 /nfs/dbraw/zinc/98/73/16/1302987316.db2.gz MLCALACTPJZGRC-OTWHNJEPSA-N 2 2 331.504 2.340 10 30 EEEELP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[NH+]2CCCCC ZINC001277431773 1302987317 /nfs/dbraw/zinc/98/73/17/1302987317.db2.gz MLCALACTPJZGRC-OTWHNJEPSA-N 2 2 331.504 2.340 10 30 EEEELP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[NH+]2CCCCC ZINC001277431773 1302987319 /nfs/dbraw/zinc/98/73/19/1302987319.db2.gz MLCALACTPJZGRC-OTWHNJEPSA-N 2 2 331.504 2.340 10 30 EEEELP CC#CC[NH2+]CCCCCCN(C)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001264043100 1322597364 /nfs/dbraw/zinc/59/73/64/1322597364.db2.gz IZLZARPVAZSUFT-QGZVFWFLSA-N 2 2 330.476 2.077 10 30 EEEELP C=C(C)C[NH2+]C[C@H]1CCCCN1C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001280440683 1324227488 /nfs/dbraw/zinc/22/74/88/1324227488.db2.gz GEBYFJRPISGGTI-QGZVFWFLSA-N 2 2 330.476 2.309 10 30 EEEELP CC#CC[NH+]1CCC(C)(CNC(=O)Cc2cn3c([nH+]2)CCCC3)CC1 ZINC001569700452 1342926986 /nfs/dbraw/zinc/92/69/86/1342926986.db2.gz ATWAKWNFSIDZEO-UHFFFAOYSA-N 2 2 342.487 2.004 10 30 EEEELP C=CCC[C@H](C)[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001571132720 1343164091 /nfs/dbraw/zinc/16/40/91/1343164091.db2.gz XJAXLBALZMBRPF-QAETUUGQSA-N 2 2 330.476 2.285 10 30 EEEELP C=C(C)C[NH+]1CCC([C@@H](C)NC(=O)Cc2c[nH+]ccc2OC)CC1 ZINC001677335034 1357315780 /nfs/dbraw/zinc/31/57/80/1357315780.db2.gz OTIDYVGCHBSJPB-OAHLLOKOSA-N 2 2 331.460 2.426 10 30 EEEELP C=CC[N@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)CCc1[nH+]ccn1C ZINC001656653392 1354258435 /nfs/dbraw/zinc/25/84/35/1354258435.db2.gz WYCCYTCKGMKPKH-FHLIZLRMSA-N 2 2 330.476 2.144 10 30 EEEELP C=CC[N@@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)CCc1[nH+]ccn1C ZINC001656653392 1354258436 /nfs/dbraw/zinc/25/84/36/1354258436.db2.gz WYCCYTCKGMKPKH-FHLIZLRMSA-N 2 2 330.476 2.144 10 30 EEEELP C=C(C)CC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001662844011 1354861794 /nfs/dbraw/zinc/86/17/94/1354861794.db2.gz AJFGAMBVCDVNMA-SJLPKXTDSA-N 2 2 330.476 2.335 10 30 EEEELP C=C(C)CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001662844011 1354861798 /nfs/dbraw/zinc/86/17/98/1354861798.db2.gz AJFGAMBVCDVNMA-SJLPKXTDSA-N 2 2 330.476 2.335 10 30 EEEELP C=CCCC[NH+]1CC[C@@H](CNC(=O)c2cc([C@H]3CCC[N@H+]3C)n[nH]2)C1 ZINC001663587330 1354994194 /nfs/dbraw/zinc/99/41/94/1354994194.db2.gz IZYLKBFFQBGXSF-MAUKXSAKSA-N 2 2 345.491 2.194 10 30 EEEELP C=CCCC[NH+]1CC[C@@H](CNC(=O)c2cc([C@H]3CCC[N@@H+]3C)n[nH]2)C1 ZINC001663587330 1354994196 /nfs/dbraw/zinc/99/41/96/1354994196.db2.gz IZYLKBFFQBGXSF-MAUKXSAKSA-N 2 2 345.491 2.194 10 30 EEEELP C=CCCC[N@H+]1CC[C@@H](CNC(=O)c2cc([C@H]3CCC[NH+]3C)n[nH]2)C1 ZINC001663587330 1354994199 /nfs/dbraw/zinc/99/41/99/1354994199.db2.gz IZYLKBFFQBGXSF-MAUKXSAKSA-N 2 2 345.491 2.194 10 30 EEEELP C=CCCC[N@@H+]1CC[C@@H](CNC(=O)c2cc([C@H]3CCC[NH+]3C)n[nH]2)C1 ZINC001663587330 1354994201 /nfs/dbraw/zinc/99/42/01/1354994201.db2.gz IZYLKBFFQBGXSF-MAUKXSAKSA-N 2 2 345.491 2.194 10 30 EEEELP CC#CC[NH2+]C[C@H]1CC[C@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)CC1 ZINC001672966052 1356623984 /nfs/dbraw/zinc/62/39/84/1356623984.db2.gz YVMPZDVUCPCHKY-QAQDUYKDSA-N 2 2 342.487 2.050 10 30 EEEELP C#CCC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001565964524 1125475617 /nfs/dbraw/zinc/47/56/17/1125475617.db2.gz QVMMCQPDGSZLPL-AEFFLSMTSA-N 2 2 342.487 2.002 10 30 EEEELP C[N@@H+](CC#Cc1ccccc1)CCCNC(=O)c1cccc2[nH+]ccn21 ZINC001566474154 1125636017 /nfs/dbraw/zinc/63/60/17/1125636017.db2.gz PINHQUMFXMPJEV-UHFFFAOYSA-N 2 2 346.434 2.438 10 30 EEEELP C[N@H+](CC#Cc1ccccc1)CCCNC(=O)c1cccc2[nH+]ccn21 ZINC001566474154 1125636018 /nfs/dbraw/zinc/63/60/18/1125636018.db2.gz PINHQUMFXMPJEV-UHFFFAOYSA-N 2 2 346.434 2.438 10 30 EEEELP C[C@H](CNC(=O)C[C@H](C)n1cc[nH+]c1)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001437217498 1089299140 /nfs/dbraw/zinc/29/91/40/1089299140.db2.gz YWAWRSUYCXKDLZ-KGLIPLIRSA-N 2 2 343.406 2.139 10 30 EEEELP C=C(C)C[N@@H+](C)C[C@@H]1CCCN(C(=O)Cc2c[nH+]ccc2OC)C1 ZINC001480077701 1099621862 /nfs/dbraw/zinc/62/18/62/1099621862.db2.gz HBBMJNFBNNCCFI-INIZCTEOSA-N 2 2 331.460 2.379 10 30 EEEELP C=C(C)C[N@H+](C)C[C@@H]1CCCN(C(=O)Cc2c[nH+]ccc2OC)C1 ZINC001480077701 1099621863 /nfs/dbraw/zinc/62/18/63/1099621863.db2.gz HBBMJNFBNNCCFI-INIZCTEOSA-N 2 2 331.460 2.379 10 30 EEEELP C=C(Cl)C[N@@H+](C)[C@H](C)CNC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001506002471 1114334651 /nfs/dbraw/zinc/33/46/51/1114334651.db2.gz WSNRSXDBVDHEJO-CYBMUJFWSA-N 2 2 340.855 2.073 10 30 EEEELP C=C(Cl)C[N@H+](C)[C@H](C)CNC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001506002471 1114334654 /nfs/dbraw/zinc/33/46/54/1114334654.db2.gz WSNRSXDBVDHEJO-CYBMUJFWSA-N 2 2 340.855 2.073 10 30 EEEELP C=C(C)CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CCn3cc[nH+]c3)C[C@@H]21 ZINC001507362525 1115222769 /nfs/dbraw/zinc/22/27/69/1115222769.db2.gz RFDBYQZKYZJSMR-OKZBNKHCSA-N 2 2 330.476 2.456 10 30 EEEELP Cc1cn2c([nH+]1)[C@H](CNC(=O)N1CC[N@@H+]3CCCC[C@H]3C1)CCC2 ZINC000328712804 539759167 /nfs/dbraw/zinc/75/91/67/539759167.db2.gz NODBHKZHJSXNFT-HOTGVXAUSA-N 2 2 331.464 2.153 10 30 EEEELP Cc1cn2c([nH+]1)[C@H](CNC(=O)N1CC[N@H+]3CCCC[C@H]3C1)CCC2 ZINC000328712804 539759173 /nfs/dbraw/zinc/75/91/73/539759173.db2.gz NODBHKZHJSXNFT-HOTGVXAUSA-N 2 2 331.464 2.153 10 30 EEEELP N#Cc1ccc(C[NH+]2CCC([NH2+][C@H]3CCC[C@@H](C(N)=O)C3)CC2)cc1 ZINC000181781523 323356260 /nfs/dbraw/zinc/35/62/60/323356260.db2.gz PLUQBACZLQCQKK-MJGOQNOKSA-N 2 2 340.471 2.156 10 30 EEEELP C=CC[C@H](CC)NC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000341494581 465198252 /nfs/dbraw/zinc/19/82/52/465198252.db2.gz CHHDFLIFBYTOIN-XNHLSEOASA-N 2 2 334.508 2.294 10 30 EEEELP C=CC[C@H](CC)NC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000341494581 465198253 /nfs/dbraw/zinc/19/82/53/465198253.db2.gz CHHDFLIFBYTOIN-XNHLSEOASA-N 2 2 334.508 2.294 10 30 EEEELP N#Cc1cccc(NC(=O)C[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)c1 ZINC000195515712 464063917 /nfs/dbraw/zinc/06/39/17/464063917.db2.gz OCLWOVWHUKDSKL-MRXNPFEDSA-N 2 2 335.411 2.326 10 30 EEEELP N#Cc1cccc(NC(=O)C[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)c1 ZINC000195515712 464063923 /nfs/dbraw/zinc/06/39/23/464063923.db2.gz OCLWOVWHUKDSKL-MRXNPFEDSA-N 2 2 335.411 2.326 10 30 EEEELP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+]C[C@@H](O)CC2(C#N)CC2)CC1 ZINC000600729742 468639584 /nfs/dbraw/zinc/63/95/84/468639584.db2.gz XMVKZUDCWRRNOU-YJBOKZPZSA-N 2 2 328.460 2.251 10 30 EEEELP COC(=O)[C@@H]1C[C@H]1[C@H](C)[NH2+]C1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000594950951 468730146 /nfs/dbraw/zinc/73/01/46/468730146.db2.gz VPAFKTRXNHKJQJ-ZOCIIQOWSA-N 2 2 341.455 2.310 10 30 EEEELP C=C1C[C@H]2CC[C@@H](C1)N2C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000660575912 471400554 /nfs/dbraw/zinc/40/05/54/471400554.db2.gz YBNGTHDRKYTSKR-KDURUIRLSA-N 2 2 346.519 2.438 10 30 EEEELP C=CC[C@@]1(C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)CCC[NH2+]1 ZINC000662694747 472211594 /nfs/dbraw/zinc/21/15/94/472211594.db2.gz BYGNEZGARRRDPU-SFHVURJKSA-N 2 2 328.391 2.326 10 30 EEEELP C#CC[NH+]1CCC(C(=O)N[C@@H](C)c2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000173919859 526928281 /nfs/dbraw/zinc/92/82/81/526928281.db2.gz QMEUNYGZESAAAV-INIZCTEOSA-N 2 2 336.439 2.395 10 30 EEEELP C#CCOc1ccccc1C[NH+]1CCC([N@H+]2CCO[C@H](C)C2)CC1 ZINC000092079586 527126398 /nfs/dbraw/zinc/12/63/98/527126398.db2.gz RXEZODCDLJBATB-QGZVFWFLSA-N 2 2 328.456 2.384 10 30 EEEELP C#CCOc1ccccc1C[NH+]1CCC([N@@H+]2CCO[C@H](C)C2)CC1 ZINC000092079586 527126401 /nfs/dbraw/zinc/12/64/01/527126401.db2.gz RXEZODCDLJBATB-QGZVFWFLSA-N 2 2 328.456 2.384 10 30 EEEELP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N(CCC#N)CCC[NH+](C)C)C2 ZINC000369651924 528324118 /nfs/dbraw/zinc/32/41/18/528324118.db2.gz BDIJXUMWBKEFJT-OAHLLOKOSA-N 2 2 345.491 2.332 10 30 EEEELP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N(CCC#N)CCC[NH+](C)C)CC2 ZINC000369651924 528324122 /nfs/dbraw/zinc/32/41/22/528324122.db2.gz BDIJXUMWBKEFJT-OAHLLOKOSA-N 2 2 345.491 2.332 10 30 EEEELP NC(=[NH+]OCCc1ccccc1)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000767933882 577547556 /nfs/dbraw/zinc/54/75/56/577547556.db2.gz ORLPYTYBXHHNCR-UHFFFAOYSA-N 2 2 339.439 2.398 10 30 EEEELP C=C(Cl)C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)CCn3cc[nH+]c3)C[C@H]2C1 ZINC001485657072 1191891240 /nfs/dbraw/zinc/89/12/40/1191891240.db2.gz LPHFPBMBUOEUNU-JYJNAYRXSA-N 2 2 336.867 2.242 10 30 EEEELP C=C(Cl)C[N@H+]1C[C@@H]2CC[C@H](NC(=O)CCn3cc[nH+]c3)C[C@H]2C1 ZINC001485657072 1191891241 /nfs/dbraw/zinc/89/12/41/1191891241.db2.gz LPHFPBMBUOEUNU-JYJNAYRXSA-N 2 2 336.867 2.242 10 30 EEEELP C#CC[NH2+][C@H](CNC(=O)Cn1cc[nH+]c1C)c1ccc(C(C)C)cc1 ZINC001267516949 1179237319 /nfs/dbraw/zinc/23/73/19/1179237319.db2.gz HQXKPOCAEQBZQG-LJQANCHMSA-N 2 2 338.455 2.395 10 30 EEEELP C=CCCC[NH2+]CC1(NC(=O)[C@H]2CCc3c[nH+]cn3C2)CCCC1 ZINC001267839269 1180613141 /nfs/dbraw/zinc/61/31/41/1180613141.db2.gz LSHBDOBJOVMMBZ-INIZCTEOSA-N 2 2 330.476 2.430 10 30 EEEELP CC[C@H](C(=O)N[C@H]1CC[N@H+](CC#Cc2ccc(Cl)cc2)C1)[NH+](C)C ZINC001481695289 1182229363 /nfs/dbraw/zinc/22/93/63/1182229363.db2.gz PHTFEAFUKXMOMB-ZWKOTPCHSA-N 2 2 347.890 2.222 10 30 EEEELP CC[C@H](C(=O)N[C@H]1CC[N@@H+](CC#Cc2ccc(Cl)cc2)C1)[NH+](C)C ZINC001481695289 1182229370 /nfs/dbraw/zinc/22/93/70/1182229370.db2.gz PHTFEAFUKXMOMB-ZWKOTPCHSA-N 2 2 347.890 2.222 10 30 EEEELP C=CC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC001271770364 1186472647 /nfs/dbraw/zinc/47/26/47/1186472647.db2.gz MUZHGYRBWFSRKP-BRWVUGGUSA-N 2 2 330.476 2.144 10 30 EEEELP C=CCCC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@H]3CCc4[nH+]ccn4C3)[C@@H]2C1 ZINC001272078771 1187416292 /nfs/dbraw/zinc/41/62/92/1187416292.db2.gz RIMNJDHCBZDZON-OKZBNKHCSA-N 2 2 342.487 2.335 10 30 EEEELP C=CCCC[N@H+]1C[C@@H]2CCCN(C(=O)[C@H]3CCc4[nH+]ccn4C3)[C@@H]2C1 ZINC001272078771 1187416293 /nfs/dbraw/zinc/41/62/93/1187416293.db2.gz RIMNJDHCBZDZON-OKZBNKHCSA-N 2 2 342.487 2.335 10 30 EEEELP CCCCCCC[N@@H+]1CCOC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001272876486 1193589442 /nfs/dbraw/zinc/58/94/42/1193589442.db2.gz GMMKFCFZWSKPGB-MSOLQXFVSA-N 2 2 339.524 2.258 10 30 EEEELP CCCCCCC[N@H+]1CCOC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001272876486 1193589444 /nfs/dbraw/zinc/58/94/44/1193589444.db2.gz GMMKFCFZWSKPGB-MSOLQXFVSA-N 2 2 339.524 2.258 10 30 EEEELP CCCCCCC[NH+]1CCOC[C@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001272876486 1193589445 /nfs/dbraw/zinc/58/94/45/1193589445.db2.gz GMMKFCFZWSKPGB-MSOLQXFVSA-N 2 2 339.524 2.258 10 30 EEEELP CCCCCCC[NH+]1CCOC[C@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001272876486 1193589447 /nfs/dbraw/zinc/58/94/47/1193589447.db2.gz GMMKFCFZWSKPGB-MSOLQXFVSA-N 2 2 339.524 2.258 10 30 EEEELP C#CCN(C(=O)Cc1c[nH+]c[nH]1)C1CC[NH+](CC2=CCCCC2)CC1 ZINC001483987192 1191143742 /nfs/dbraw/zinc/14/37/42/1191143742.db2.gz HGWAXFSWWADKJB-UHFFFAOYSA-N 2 2 340.471 2.379 10 30 EEEELP C=C(C)C[NH2+]C1(CNC(=O)[C@H](CC(C)C)n2cc[nH+]c2)CCOCC1 ZINC001484185724 1191264069 /nfs/dbraw/zinc/26/40/69/1191264069.db2.gz VQSMYROOEJNLLA-KRWDZBQOSA-N 2 2 348.491 2.301 10 30 EEEELP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000925797591 1206154975 /nfs/dbraw/zinc/15/49/75/1206154975.db2.gz OWKCKQPPFNMXCS-VQIMIIECSA-N 3 2 326.488 2.358 10 30 EEEELP C=CC[NH+]1Cc2ccccc2C[C@@H]1CNC(=O)C[N@@H+](C)C1CCC1 ZINC001273813769 1286316549 /nfs/dbraw/zinc/31/65/49/1286316549.db2.gz IGQCDVPVJGJUED-LJQANCHMSA-N 2 2 327.472 2.200 10 30 EEEELP C=CC[NH+]1Cc2ccccc2C[C@@H]1CNC(=O)C[N@H+](C)C1CCC1 ZINC001273813769 1286316558 /nfs/dbraw/zinc/31/65/58/1286316558.db2.gz IGQCDVPVJGJUED-LJQANCHMSA-N 2 2 327.472 2.200 10 30 EEEELP C=CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001273813769 1286316565 /nfs/dbraw/zinc/31/65/65/1286316565.db2.gz IGQCDVPVJGJUED-LJQANCHMSA-N 2 2 327.472 2.200 10 30 EEEELP C=CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001273813769 1286316573 /nfs/dbraw/zinc/31/65/73/1286316573.db2.gz IGQCDVPVJGJUED-LJQANCHMSA-N 2 2 327.472 2.200 10 30 EEEELP C=CC[NH2+]C[C@H]1CN(C(=O)CCn2cc[nH+]c2)CC[C@@H]1C(F)(F)F ZINC001264595103 1322745367 /nfs/dbraw/zinc/74/53/67/1322745367.db2.gz WKPAJVPGADUQFC-KBPBESRZSA-N 2 2 344.381 2.076 10 30 EEEELP C=CCC[NH2+][C@@H](CCN(C)C(=O)[C@H]1CCc2[nH+]ccn2C1)C(C)C ZINC001282557369 1325740956 /nfs/dbraw/zinc/74/09/56/1325740956.db2.gz CWNFONNAMHUDDH-IRXDYDNUSA-N 2 2 332.492 2.484 10 30 EEEELP C=CCC[N@H+]1CC[C@H](N(CCC)C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001317762280 1332400819 /nfs/dbraw/zinc/40/08/19/1332400819.db2.gz WDQMBDQKEPDJNT-IRXDYDNUSA-N 2 2 330.476 2.335 10 30 EEEELP C=CCC[N@@H+]1CC[C@H](N(CCC)C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001317762280 1332400821 /nfs/dbraw/zinc/40/08/21/1332400821.db2.gz WDQMBDQKEPDJNT-IRXDYDNUSA-N 2 2 330.476 2.335 10 30 EEEELP C=CC[N@@H+]1CCC[C@@](C)(CNC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001324935347 1333790605 /nfs/dbraw/zinc/79/06/05/1333790605.db2.gz CYNSZWCVYHZUCY-IBGZPJMESA-N 2 2 330.476 2.166 10 30 EEEELP C(=NNCCCn1cc[nH+]c1)c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000848419344 1338699968 /nfs/dbraw/zinc/69/99/68/1338699968.db2.gz UJZZLPPWSAHPKN-UHFFFAOYSA-N 2 2 341.459 2.372 10 30 EEEELP C=CCCC[N@@H+]1CCOC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001570066601 1343007782 /nfs/dbraw/zinc/00/77/82/1343007782.db2.gz QQMQZLUSPAXDFB-MOPGFXCFSA-N 2 2 349.519 2.177 10 30 EEEELP C=CCCC[N@H+]1CCOC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001570066601 1343007788 /nfs/dbraw/zinc/00/77/88/1343007788.db2.gz QQMQZLUSPAXDFB-MOPGFXCFSA-N 2 2 349.519 2.177 10 30 EEEELP C=CCCC[NH+]1CCOC[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001570066601 1343007790 /nfs/dbraw/zinc/00/77/90/1343007790.db2.gz QQMQZLUSPAXDFB-MOPGFXCFSA-N 2 2 349.519 2.177 10 30 EEEELP C=CCCC[NH+]1CCOC[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001570066601 1343007795 /nfs/dbraw/zinc/00/77/95/1343007795.db2.gz QQMQZLUSPAXDFB-MOPGFXCFSA-N 2 2 349.519 2.177 10 30 EEEELP C=C(C)C[NH2+][C@H](C)C1CCN(C(=O)Cc2c[nH+]ccc2OC)CC1 ZINC001664442864 1355165478 /nfs/dbraw/zinc/16/54/78/1355165478.db2.gz PNVSSRRQFVKXJS-OAHLLOKOSA-N 2 2 331.460 2.426 10 30 EEEELP C=C(C)C[N@H+]1CC[C@@H](N(CCC)C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001664683533 1355210750 /nfs/dbraw/zinc/21/07/50/1355210750.db2.gz KVDYXMABLBRFBV-BRWVUGGUSA-N 2 2 330.476 2.413 10 30 EEEELP C=C(C)C[N@@H+]1CC[C@@H](N(CCC)C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001664683533 1355210758 /nfs/dbraw/zinc/21/07/58/1355210758.db2.gz KVDYXMABLBRFBV-BRWVUGGUSA-N 2 2 330.476 2.413 10 30 EEEELP CC#CC[N@H+](C)C[C@H]1CCN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001664817328 1355234779 /nfs/dbraw/zinc/23/47/79/1355234779.db2.gz FXDLYHXXAJNBAD-MSOLQXFVSA-N 2 2 330.476 2.274 10 30 EEEELP CC#CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001664817328 1355234782 /nfs/dbraw/zinc/23/47/82/1355234782.db2.gz FXDLYHXXAJNBAD-MSOLQXFVSA-N 2 2 330.476 2.274 10 30 EEEELP C=CC[NH2+]C[C@@H](CC(C)C)NC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC001667111531 1355650334 /nfs/dbraw/zinc/65/03/34/1355650334.db2.gz BXPXCXLWOIZXLC-MRXNPFEDSA-N 2 2 328.460 2.492 10 30 EEEELP C=CCC[N@H+]1CCC[C@](C)(CNC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001671891333 1356432293 /nfs/dbraw/zinc/43/22/93/1356432293.db2.gz ANBXKGUJWWIFTJ-QFBILLFUSA-N 2 2 330.476 2.240 10 30 EEEELP C=CCC[N@@H+]1CCC[C@](C)(CNC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001671891333 1356432296 /nfs/dbraw/zinc/43/22/96/1356432296.db2.gz ANBXKGUJWWIFTJ-QFBILLFUSA-N 2 2 330.476 2.240 10 30 EEEELP C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCc3[nH+]ccn3C2)C(C)(C)C1 ZINC000940850957 779433577 /nfs/dbraw/zinc/43/35/77/779433577.db2.gz QYAMWSSKHBLSPQ-CVEARBPZSA-N 2 2 330.476 2.238 10 30 EEEELP C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCc3[nH+]ccn3C2)C(C)(C)C1 ZINC000940850957 779433580 /nfs/dbraw/zinc/43/35/80/779433580.db2.gz QYAMWSSKHBLSPQ-CVEARBPZSA-N 2 2 330.476 2.238 10 30 EEEELP C=CCC[NH2+]CC[C@@H]1CCCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001495360267 1101074274 /nfs/dbraw/zinc/07/42/74/1101074274.db2.gz RUBGHHYHRRQCAG-IRXDYDNUSA-N 2 2 330.476 2.240 10 30 EEEELP CC#CC[N@@H+]1CC[C@@H]([C@H]2CCCN(C(=O)CCCn3cc[nH+]c3)C2)C1 ZINC001505473227 1114010218 /nfs/dbraw/zinc/01/02/18/1114010218.db2.gz QTCCEDHIPPHOTP-RBUKOAKNSA-N 2 2 342.487 2.247 10 30 EEEELP CC#CC[N@H+]1CC[C@@H]([C@H]2CCCN(C(=O)CCCn3cc[nH+]c3)C2)C1 ZINC001505473227 1114010222 /nfs/dbraw/zinc/01/02/22/1114010222.db2.gz QTCCEDHIPPHOTP-RBUKOAKNSA-N 2 2 342.487 2.247 10 30 EEEELP C#CC[NH+]1CCC(CCNC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001568127037 1124317828 /nfs/dbraw/zinc/31/78/28/1124317828.db2.gz YIVQWRVJSWQCIZ-GOSISDBHSA-N 2 2 330.476 2.322 10 30 EEEELP Cc1cn2c([nH+]1)[C@H](CNC(=O)N1CC[N@@H+]3CCCC[C@@H]3C1)CCC2 ZINC000328712805 539759382 /nfs/dbraw/zinc/75/93/82/539759382.db2.gz NODBHKZHJSXNFT-JKSUJKDBSA-N 2 2 331.464 2.153 10 30 EEEELP Cc1cn2c([nH+]1)[C@H](CNC(=O)N1CC[N@H+]3CCCC[C@@H]3C1)CCC2 ZINC000328712805 539759386 /nfs/dbraw/zinc/75/93/86/539759386.db2.gz NODBHKZHJSXNFT-JKSUJKDBSA-N 2 2 331.464 2.153 10 30 EEEELP C=C(C)[C@@H](CC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1)OCC ZINC000339474169 465294313 /nfs/dbraw/zinc/29/43/13/465294313.db2.gz VFYFDVPRPYNPLF-ZZJWQFMZSA-N 2 2 349.519 2.127 10 30 EEEELP C=C(C)[C@@H](CC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1)OCC ZINC000339474169 465294319 /nfs/dbraw/zinc/29/43/19/465294319.db2.gz VFYFDVPRPYNPLF-ZZJWQFMZSA-N 2 2 349.519 2.127 10 30 EEEELP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)Nc2oc(C)c(C)c2C#N)[C@@H](C)C1 ZINC000246846414 464627214 /nfs/dbraw/zinc/62/72/14/464627214.db2.gz OXVGZNGESRPEOX-LRDDRELGSA-N 2 2 332.448 2.369 10 30 EEEELP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)Nc2oc(C)c(C)c2C#N)[C@@H](C)C1 ZINC000246846414 464627219 /nfs/dbraw/zinc/62/72/19/464627219.db2.gz OXVGZNGESRPEOX-LRDDRELGSA-N 2 2 332.448 2.369 10 30 EEEELP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)Nc2oc(C)c(C)c2C#N)[C@@H](C)C1 ZINC000246846414 464627223 /nfs/dbraw/zinc/62/72/23/464627223.db2.gz OXVGZNGESRPEOX-LRDDRELGSA-N 2 2 332.448 2.369 10 30 EEEELP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)Nc2oc(C)c(C)c2C#N)[C@@H](C)C1 ZINC000246846414 464627226 /nfs/dbraw/zinc/62/72/26/464627226.db2.gz OXVGZNGESRPEOX-LRDDRELGSA-N 2 2 332.448 2.369 10 30 EEEELP C[N@@H+]1CCN(Cc2ccccc2)[C@@H](C[NH2+]Cc2cccc(C#N)c2)C1 ZINC000594993727 468740470 /nfs/dbraw/zinc/74/04/70/468740470.db2.gz HWGHSMKLPHHVDZ-NRFANRHFSA-N 2 2 334.467 2.464 10 30 EEEELP C[N@H+]1CCN(Cc2ccccc2)[C@@H](C[NH2+]Cc2cccc(C#N)c2)C1 ZINC000594993727 468740474 /nfs/dbraw/zinc/74/04/74/468740474.db2.gz HWGHSMKLPHHVDZ-NRFANRHFSA-N 2 2 334.467 2.464 10 30 EEEELP C[N@H+](Cc1ccnc(C#N)c1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000614608062 468987124 /nfs/dbraw/zinc/98/71/24/468987124.db2.gz YCUSLHYJCTXJGY-FQEVSTJZSA-N 2 2 336.439 2.022 10 30 EEEELP C[N@@H+](Cc1ccnc(C#N)c1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000614608062 468987132 /nfs/dbraw/zinc/98/71/32/468987132.db2.gz YCUSLHYJCTXJGY-FQEVSTJZSA-N 2 2 336.439 2.022 10 30 EEEELP C[NH+](Cc1ccnc(C#N)c1)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000614608062 468987137 /nfs/dbraw/zinc/98/71/37/468987137.db2.gz YCUSLHYJCTXJGY-FQEVSTJZSA-N 2 2 336.439 2.022 10 30 EEEELP C[NH+](Cc1ccnc(C#N)c1)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000614608062 468987144 /nfs/dbraw/zinc/98/71/44/468987144.db2.gz YCUSLHYJCTXJGY-FQEVSTJZSA-N 2 2 336.439 2.022 10 30 EEEELP CC[C@@H](CC#N)[NH2+]CC(=O)N1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000563367946 469237480 /nfs/dbraw/zinc/23/74/80/469237480.db2.gz YAPCGFWHJMHEBZ-WMZOPIPTSA-N 2 2 328.460 2.174 10 30 EEEELP C[NH+](CCC[N@@H+](C)C[C@H](O)CC1(C#N)CCOCC1)Cc1ccco1 ZINC000599415836 469248856 /nfs/dbraw/zinc/24/88/56/469248856.db2.gz DDPMTZQGPGWEPK-QGZVFWFLSA-N 2 2 349.475 2.105 10 30 EEEELP C[NH+](CCC[N@H+](C)C[C@H](O)CC1(C#N)CCOCC1)Cc1ccco1 ZINC000599415836 469248860 /nfs/dbraw/zinc/24/88/60/469248860.db2.gz DDPMTZQGPGWEPK-QGZVFWFLSA-N 2 2 349.475 2.105 10 30 EEEELP C[NH+](CCC[N@H+](C)Cc1ccco1)C[C@H](O)CC1(C#N)CCOCC1 ZINC000599415836 469248865 /nfs/dbraw/zinc/24/88/65/469248865.db2.gz DDPMTZQGPGWEPK-QGZVFWFLSA-N 2 2 349.475 2.105 10 30 EEEELP C[NH+](CCC[N@@H+](C)Cc1ccco1)C[C@H](O)CC1(C#N)CCOCC1 ZINC000599415836 469248868 /nfs/dbraw/zinc/24/88/68/469248868.db2.gz DDPMTZQGPGWEPK-QGZVFWFLSA-N 2 2 349.475 2.105 10 30 EEEELP CC[C@H](C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)C(=O)OC ZINC000895122125 683985965 /nfs/dbraw/zinc/98/59/65/683985965.db2.gz LOLYUEFSWBUSOV-QGZVFWFLSA-N 2 2 329.444 2.311 10 30 EEEELP Cc1cccn2cc(Cc3noc(C4CC5(C4)C[NH2+]C[C@H]5C#N)n3)[nH+]c12 ZINC000904092706 694296069 /nfs/dbraw/zinc/29/60/69/694296069.db2.gz VGFRICGEJUGQKP-SHYRYGCCSA-N 2 2 348.410 2.223 10 30 EEEELP C#CC[NH+]1C[C@@H](NC(=O)[C@H](c2ccccc2)[N@@H+](C)CC)C(C)(C)C1 ZINC001485582881 1191848803 /nfs/dbraw/zinc/84/88/03/1191848803.db2.gz VMQJWOYCAXBXOD-MSOLQXFVSA-N 2 2 327.472 2.139 10 30 EEEELP C#CC[NH+]1C[C@@H](NC(=O)[C@H](c2ccccc2)[N@H+](C)CC)C(C)(C)C1 ZINC001485582881 1191848805 /nfs/dbraw/zinc/84/88/05/1191848805.db2.gz VMQJWOYCAXBXOD-MSOLQXFVSA-N 2 2 327.472 2.139 10 30 EEEELP C#CC[N@H+]1C[C@@H](NC(=O)[C@H](c2ccccc2)[NH+](C)CC)C(C)(C)C1 ZINC001485582881 1191848807 /nfs/dbraw/zinc/84/88/07/1191848807.db2.gz VMQJWOYCAXBXOD-MSOLQXFVSA-N 2 2 327.472 2.139 10 30 EEEELP C#CC[N@@H+]1C[C@@H](NC(=O)[C@H](c2ccccc2)[NH+](C)CC)C(C)(C)C1 ZINC001485582881 1191848809 /nfs/dbraw/zinc/84/88/09/1191848809.db2.gz VMQJWOYCAXBXOD-MSOLQXFVSA-N 2 2 327.472 2.139 10 30 EEEELP C=CCC[NH2+]C[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CC[C@@H]1C(F)(F)F ZINC001691444998 1178827055 /nfs/dbraw/zinc/82/70/55/1178827055.db2.gz AGOCCPQCZQXZOC-STQMWFEESA-N 2 2 344.381 2.145 10 30 EEEELP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](C[C@H](C)CC(C)C)C1 ZINC001267628049 1180022525 /nfs/dbraw/zinc/02/25/25/1180022525.db2.gz MODLWGTZKPOKLZ-QYZOEREBSA-N 2 2 333.520 2.347 10 30 EEEELP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCC[N@H+](C[C@H](C)CC(C)C)C1 ZINC001267628049 1180022527 /nfs/dbraw/zinc/02/25/27/1180022527.db2.gz MODLWGTZKPOKLZ-QYZOEREBSA-N 2 2 333.520 2.347 10 30 EEEELP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCC[NH+](C[C@H](C)CC(C)C)C1 ZINC001267628049 1180022531 /nfs/dbraw/zinc/02/25/31/1180022531.db2.gz MODLWGTZKPOKLZ-QYZOEREBSA-N 2 2 333.520 2.347 10 30 EEEELP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCC[NH+](C[C@H](C)CC(C)C)C1 ZINC001267628049 1180022535 /nfs/dbraw/zinc/02/25/35/1180022535.db2.gz MODLWGTZKPOKLZ-QYZOEREBSA-N 2 2 333.520 2.347 10 30 EEEELP C=CCCCCC[NH+]1CCO[C@H](CNC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001482194947 1183734157 /nfs/dbraw/zinc/73/41/57/1183734157.db2.gz IVFRGWLHNGTSOY-MSOLQXFVSA-N 2 2 337.508 2.034 10 30 EEEELP C=CCCCCC[NH+]1CCO[C@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001482194947 1183734162 /nfs/dbraw/zinc/73/41/62/1183734162.db2.gz IVFRGWLHNGTSOY-MSOLQXFVSA-N 2 2 337.508 2.034 10 30 EEEELP C=CCCCCC[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001482194947 1183734166 /nfs/dbraw/zinc/73/41/66/1183734166.db2.gz IVFRGWLHNGTSOY-MSOLQXFVSA-N 2 2 337.508 2.034 10 30 EEEELP C=CCCCCC[N@H+]1CCO[C@H](CNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001482194947 1183734170 /nfs/dbraw/zinc/73/41/70/1183734170.db2.gz IVFRGWLHNGTSOY-MSOLQXFVSA-N 2 2 337.508 2.034 10 30 EEEELP COCC#CC[NH2+][C@H]1CC[C@H](NC(=O)c2c(C)cc(C)[nH+]c2C)CC1 ZINC001270005261 1184781406 /nfs/dbraw/zinc/78/14/06/1184781406.db2.gz UDYWZMBUVSJTSA-IYARVYRRSA-N 2 2 343.471 2.287 10 30 EEEELP C=CCC[NH2+]Cc1ccc(CNC(=O)[C@H]2CCn3c[nH+]cc3C2)cc1 ZINC001270065468 1184823479 /nfs/dbraw/zinc/82/34/79/1184823479.db2.gz OCWPCSCRAHFEDG-SFHVURJKSA-N 2 2 338.455 2.428 10 30 EEEELP C=C(C)CC[N@@H+]1CCOC[C@@H]1CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001280406347 1186312370 /nfs/dbraw/zinc/31/23/70/1186312370.db2.gz NKHFAKFNUMKRGC-KRWDZBQOSA-N 2 2 337.508 2.034 10 30 EEEELP C=C(C)CC[N@H+]1CCOC[C@@H]1CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001280406347 1186312374 /nfs/dbraw/zinc/31/23/74/1186312374.db2.gz NKHFAKFNUMKRGC-KRWDZBQOSA-N 2 2 337.508 2.034 10 30 EEEELP C=CC[NH2+][C@H](CCN(C)C(=O)Cc1cn2c([nH+]1)CCCC2)C(C)C ZINC001485435641 1191784101 /nfs/dbraw/zinc/78/41/01/1191784101.db2.gz YKNORBLLLQTABB-QGZVFWFLSA-N 2 2 332.492 2.411 10 30 EEEELP C#C[C@H]1CCC[N@H+](Cc2ccc(OCC[NH+]3CCOCC3)cc2)C1 ZINC000877616773 1199984622 /nfs/dbraw/zinc/98/46/22/1199984622.db2.gz HHRRHEYTIUCIEN-SFHVURJKSA-N 2 2 328.456 2.243 10 30 EEEELP C#C[C@H]1CCC[N@@H+](Cc2ccc(OCC[NH+]3CCOCC3)cc2)C1 ZINC000877616773 1199984631 /nfs/dbraw/zinc/98/46/31/1199984631.db2.gz HHRRHEYTIUCIEN-SFHVURJKSA-N 2 2 328.456 2.243 10 30 EEEELP CC(C)[C@H](C[NH2+][C@@H](C)c1cccc(C#N)c1O)N1CC[NH+](C)CC1 ZINC000866226165 1201470987 /nfs/dbraw/zinc/47/09/87/1201470987.db2.gz GYUDQNCGJCVMNH-YJBOKZPZSA-N 2 2 330.476 2.186 10 30 EEEELP C=CC[NH+]1CCC(NC(=O)NC[C@H]2c3ccccc3C[N@H+]2C)CC1 ZINC000868283909 1201782750 /nfs/dbraw/zinc/78/27/50/1201782750.db2.gz KOTOHLPKGJPMRN-SFHVURJKSA-N 2 2 328.460 2.123 10 30 EEEELP C=CC[NH+]1CCC(NC(=O)NC[C@H]2c3ccccc3C[N@@H+]2C)CC1 ZINC000868283909 1201782753 /nfs/dbraw/zinc/78/27/53/1201782753.db2.gz KOTOHLPKGJPMRN-SFHVURJKSA-N 2 2 328.460 2.123 10 30 EEEELP CC#CC[NH2+]C[C@@]1(C)CCN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001278510827 1310972159 /nfs/dbraw/zinc/97/21/59/1310972159.db2.gz DPJPNQYMJAVMBX-PKOBYXMFSA-N 2 2 330.476 2.322 10 30 EEEELP C=CC[N@@H+](C)CCN(CC)C(=O)C[C@H](n1cc[nH+]c1)C(F)(F)F ZINC001139869685 1314781780 /nfs/dbraw/zinc/78/17/80/1314781780.db2.gz PNVQDFFKBGMHCN-ZDUSSCGKSA-N 2 2 332.370 2.343 10 30 EEEELP C=CC[N@H+](C)CCN(CC)C(=O)C[C@H](n1cc[nH+]c1)C(F)(F)F ZINC001139869685 1314781783 /nfs/dbraw/zinc/78/17/83/1314781783.db2.gz PNVQDFFKBGMHCN-ZDUSSCGKSA-N 2 2 332.370 2.343 10 30 EEEELP C=CCC[C@H](C)[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001264432107 1322700689 /nfs/dbraw/zinc/70/06/89/1322700689.db2.gz KCDXMTZWFKZTGY-SMLCLMEVSA-N 2 2 330.476 2.363 10 30 EEEELP C#CCC[NH2+]C[C@H]1CCCN(C(=O)Cc2cn3cccc(C)c3[nH+]2)C1 ZINC001265627427 1323277553 /nfs/dbraw/zinc/27/75/53/1323277553.db2.gz BLUGGRGIZAAQBP-QGZVFWFLSA-N 2 2 338.455 2.037 10 30 EEEELP C=CCCC[NH2+]C[C@H]1CCCCN1C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001265675391 1323314624 /nfs/dbraw/zinc/31/46/24/1323314624.db2.gz HDYRFHQUNVOFCL-IAGOWNOFSA-N 2 2 330.476 2.382 10 30 EEEELP C#CCC[N@H+]1CCC[C@H]1CCCNC(=O)Cc1c[nH+]ccc1OC ZINC001266222580 1323794473 /nfs/dbraw/zinc/79/44/73/1323794473.db2.gz CXSWNUHEIPRWBZ-QGZVFWFLSA-N 2 2 329.444 2.017 10 30 EEEELP C#CCC[N@@H+]1CCC[C@H]1CCCNC(=O)Cc1c[nH+]ccc1OC ZINC001266222580 1323794474 /nfs/dbraw/zinc/79/44/74/1323794474.db2.gz CXSWNUHEIPRWBZ-QGZVFWFLSA-N 2 2 329.444 2.017 10 30 EEEELP C#CC[NH2+][C@@H](CCNC(=O)c1cccc2[nH+]ccn21)Cc1ccccc1 ZINC001284148168 1326435219 /nfs/dbraw/zinc/43/52/19/1326435219.db2.gz GMEIDEITQLDAGR-SFHVURJKSA-N 2 2 346.434 2.288 10 30 EEEELP C#CCN(C(=O)Cc1c[nH+]c[nH]1)C1CC[NH+](CCCC2CCC2)CC1 ZINC001324426133 1333680315 /nfs/dbraw/zinc/68/03/15/1333680315.db2.gz FPWSMMWBLCYJHG-UHFFFAOYSA-N 2 2 342.487 2.459 10 30 EEEELP CC#CC[NH2+]C[C@@H](NC(=O)c1ccn2c(C)c[nH+]c2c1)C(C)(C)C ZINC001332804863 1335910015 /nfs/dbraw/zinc/91/00/15/1335910015.db2.gz BWBURVNGOBARRO-MRXNPFEDSA-N 2 2 326.444 2.400 10 30 EEEELP C=C(Cl)C[NH+]1CC=C(CNC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001333457711 1336051434 /nfs/dbraw/zinc/05/14/34/1336051434.db2.gz LIWHTKGJWATBBT-GASCZTMLSA-N 2 2 325.884 2.360 10 30 EEEELP C=C(Cl)C[NH+]1CC=C(CNC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001333457711 1336051437 /nfs/dbraw/zinc/05/14/37/1336051437.db2.gz LIWHTKGJWATBBT-GASCZTMLSA-N 2 2 325.884 2.360 10 30 EEEELP C=C(Cl)C[N@H+]1CC=C(CNC(=O)C[NH+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001333457711 1336051439 /nfs/dbraw/zinc/05/14/39/1336051439.db2.gz LIWHTKGJWATBBT-GASCZTMLSA-N 2 2 325.884 2.360 10 30 EEEELP COCC#CC[NH2+]C[C@@H]1CC[C@@H](NC(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001676945131 1357246881 /nfs/dbraw/zinc/24/68/81/1357246881.db2.gz IAHQSZZQODWXGM-QZTJIDSGSA-N 2 2 343.471 2.145 10 30 EEEELP C=C(C)CC[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001649463564 1353519094 /nfs/dbraw/zinc/51/90/94/1353519094.db2.gz UFFXQPZAPIZNTJ-SJORKVTESA-N 2 2 330.476 2.382 10 30 EEEELP C=C(C)C[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001657067477 1354315989 /nfs/dbraw/zinc/31/59/89/1354315989.db2.gz WSRMHBVLVBYXDP-IRXDYDNUSA-N 2 2 330.476 2.335 10 30 EEEELP C=C(C)C[N@@H+](C)C[C@@H]1CCCCN1C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001657067477 1354315996 /nfs/dbraw/zinc/31/59/96/1354315996.db2.gz WSRMHBVLVBYXDP-IRXDYDNUSA-N 2 2 330.476 2.335 10 30 EEEELP C=C(C)C[NH2+]C[C@H]1CCCN(C(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC001661813967 1354701882 /nfs/dbraw/zinc/70/18/82/1354701882.db2.gz IPHFLLQHFXFFLA-MJGOQNOKSA-N 2 2 349.519 2.034 10 30 EEEELP C=C(C)C[NH2+]C[C@H]1CCCN(C(=O)[C@@H]2COCC[N@H+]2C2CCCC2)C1 ZINC001661813967 1354701889 /nfs/dbraw/zinc/70/18/89/1354701889.db2.gz IPHFLLQHFXFFLA-MJGOQNOKSA-N 2 2 349.519 2.034 10 30 EEEELP C=C(C)C[N@H+]1CC[C@H](N(CCC)C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001664683534 1355210856 /nfs/dbraw/zinc/21/08/56/1355210856.db2.gz KVDYXMABLBRFBV-GVDBMIGSSA-N 2 2 330.476 2.413 10 30 EEEELP C=C(C)C[N@@H+]1CC[C@H](N(CCC)C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001664683534 1355210859 /nfs/dbraw/zinc/21/08/59/1355210859.db2.gz KVDYXMABLBRFBV-GVDBMIGSSA-N 2 2 330.476 2.413 10 30 EEEELP C=C(C)CC[NH2+]CC[C@H](C)NC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1 ZINC001668064894 1355860477 /nfs/dbraw/zinc/86/04/77/1355860477.db2.gz DPLJLRHUGGBSMQ-WMLDXEAASA-N 2 2 333.480 2.241 10 30 EEEELP C=C(C)CC[NH2+]CC[C@H](C)NC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1 ZINC001668064894 1355860487 /nfs/dbraw/zinc/86/04/87/1355860487.db2.gz DPLJLRHUGGBSMQ-WMLDXEAASA-N 2 2 333.480 2.241 10 30 EEEELP C=CCCC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC001673388125 1356683122 /nfs/dbraw/zinc/68/31/22/1356683122.db2.gz ZSLCZYSGOBDNHJ-DLBZAZTESA-N 2 2 330.476 2.382 10 30 EEEELP C=CCCC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC001673388125 1356683128 /nfs/dbraw/zinc/68/31/28/1356683128.db2.gz ZSLCZYSGOBDNHJ-DLBZAZTESA-N 2 2 330.476 2.382 10 30 EEEELP C=CCNC(=O)C[NH+](C)Cc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000585115980 786467908 /nfs/dbraw/zinc/46/79/08/786467908.db2.gz CJSUXSMRXQTXBH-CALCHBBNSA-N 2 2 345.487 2.030 10 30 EEEELP C=CCNC(=O)C[NH+](C)Cc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000585115980 786467916 /nfs/dbraw/zinc/46/79/16/786467916.db2.gz CJSUXSMRXQTXBH-CALCHBBNSA-N 2 2 345.487 2.030 10 30 EEEELP C=CCNC(=O)C[N@@H+](C)Cc1ccc(C[NH+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000585115980 786467921 /nfs/dbraw/zinc/46/79/21/786467921.db2.gz CJSUXSMRXQTXBH-CALCHBBNSA-N 2 2 345.487 2.030 10 30 EEEELP C=CCNC(=O)C[N@H+](C)Cc1ccc(C[NH+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000585115980 786467925 /nfs/dbraw/zinc/46/79/25/786467925.db2.gz CJSUXSMRXQTXBH-CALCHBBNSA-N 2 2 345.487 2.030 10 30 EEEELP C[C@@H](C[N@H+](C)Cc1cccc(C#N)c1)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001445814380 1091691993 /nfs/dbraw/zinc/69/19/93/1091691993.db2.gz MEBOBTVLHRDYIS-HOTGVXAUSA-N 2 2 339.443 2.343 10 30 EEEELP C[C@@H](C[N@@H+](C)Cc1cccc(C#N)c1)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001445814380 1091691996 /nfs/dbraw/zinc/69/19/96/1091691996.db2.gz MEBOBTVLHRDYIS-HOTGVXAUSA-N 2 2 339.443 2.343 10 30 EEEELP CN(C(=O)CC[NH+](C)C)C1CC[NH+](Cc2cc(F)ccc2C#N)CC1 ZINC001479891736 1099267105 /nfs/dbraw/zinc/26/71/05/1099267105.db2.gz BKHSEIOIRGSGFN-UHFFFAOYSA-N 2 2 346.450 2.072 10 30 EEEELP C#CCN(C(=O)C[N@@H+](C)C1CCC1)C1CC[NH+](CC(=C)Cl)CC1 ZINC001500039415 1112588550 /nfs/dbraw/zinc/58/85/50/1112588550.db2.gz PDWZJXDMRHPFHV-UHFFFAOYSA-N 2 2 337.895 2.149 10 30 EEEELP C#CCN(C(=O)C[N@H+](C)C1CCC1)C1CC[NH+](CC(=C)Cl)CC1 ZINC001500039415 1112588553 /nfs/dbraw/zinc/58/85/53/1112588553.db2.gz PDWZJXDMRHPFHV-UHFFFAOYSA-N 2 2 337.895 2.149 10 30 EEEELP C=CCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CCc1[nH+]ccn1C)C2 ZINC001501169081 1113225535 /nfs/dbraw/zinc/22/55/35/1113225535.db2.gz UWJJDTMPEOYRTI-BJWYYQGGSA-N 2 2 330.476 2.288 10 30 EEEELP C=CCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CCc1[nH+]ccn1C)C2 ZINC001501169081 1113225539 /nfs/dbraw/zinc/22/55/39/1113225539.db2.gz UWJJDTMPEOYRTI-BJWYYQGGSA-N 2 2 330.476 2.288 10 30 EEEELP C=C(C)C[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)Cn1cc[nH+]c1C ZINC001503692037 1113899880 /nfs/dbraw/zinc/89/98/80/1113899880.db2.gz RZIZQVILINJPTL-LJQANCHMSA-N 2 2 338.455 2.483 10 30 EEEELP C=C(C)C[N@H+]1CCc2ccccc2[C@H]1CNC(=O)Cn1cc[nH+]c1C ZINC001503692037 1113899883 /nfs/dbraw/zinc/89/98/83/1113899883.db2.gz RZIZQVILINJPTL-LJQANCHMSA-N 2 2 338.455 2.483 10 30 EEEELP N#Cc1ccc(C[NH+]2CCC([NH2+][C@H]3CCC[C@H](C(N)=O)C3)CC2)cc1 ZINC000181781486 323356196 /nfs/dbraw/zinc/35/61/96/323356196.db2.gz PLUQBACZLQCQKK-HKUYNNGSSA-N 2 2 340.471 2.156 10 30 EEEELP Cc1c[nH+]ccc1NC(=O)NC[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000328644374 465086561 /nfs/dbraw/zinc/08/65/61/465086561.db2.gz ZFEXNBPWLYQRQA-RDJZCZTQSA-N 2 2 325.416 2.226 10 30 EEEELP Cc1c[nH+]ccc1NC(=O)NC[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000328644374 465086564 /nfs/dbraw/zinc/08/65/64/465086564.db2.gz ZFEXNBPWLYQRQA-RDJZCZTQSA-N 2 2 325.416 2.226 10 30 EEEELP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](CC(=O)Nc2ccc(C#N)cc2)C1 ZINC000131211234 462798547 /nfs/dbraw/zinc/79/85/47/462798547.db2.gz FWWWNHUGYMSBPI-MRXNPFEDSA-N 2 2 337.427 2.185 10 30 EEEELP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](CC(=O)Nc2ccc(C#N)cc2)C1 ZINC000131211234 462798551 /nfs/dbraw/zinc/79/85/51/462798551.db2.gz FWWWNHUGYMSBPI-MRXNPFEDSA-N 2 2 337.427 2.185 10 30 EEEELP COc1c[nH+]ccc1N1CC[NH+](Cc2ccc(F)c(C#N)c2)CC1 ZINC000361526662 466075706 /nfs/dbraw/zinc/07/57/06/466075706.db2.gz PSKPUAYVJNJXHW-UHFFFAOYSA-N 2 2 326.375 2.423 10 30 EEEELP C[NH+](C)CCCN(CCC#N)C(=O)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000601015756 468719879 /nfs/dbraw/zinc/71/98/79/468719879.db2.gz OHKONLCCWAFSJW-UHFFFAOYSA-N 2 2 339.443 2.109 10 30 EEEELP 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SMZHLEYTKGYUGN-LJQANCHMSA-N 2 2 336.439 2.432 10 30 EEEELP CC#CC[N@@H+](C)C[C@H]1CCCN1C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001505440465 1113974443 /nfs/dbraw/zinc/97/44/43/1113974443.db2.gz SMZHLEYTKGYUGN-LJQANCHMSA-N 2 2 336.439 2.432 10 30 EEEELP C[NH+](C)CC1(C[NH2+]CCS(=O)(=O)c2cccc(C#N)c2)CCCC1 ZINC000574270964 320010791 /nfs/dbraw/zinc/01/07/91/320010791.db2.gz HEXUVYCHAMBOKX-UHFFFAOYSA-N 2 2 349.500 2.044 10 30 EEEELP N#CCCCC[C@@H]([NH3+])C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000594436207 468585661 /nfs/dbraw/zinc/58/56/61/468585661.db2.gz BVDVVGDUXKVSCE-OAHLLOKOSA-N 2 2 329.379 2.039 10 30 EEEELP C[C@H]([NH2+]C[C@@H](O)CC1(C#N)CCOCC1)[C@@H](c1ccccc1)[NH+](C)C ZINC000600737855 468642899 /nfs/dbraw/zinc/64/28/99/468642899.db2.gz WOEUDAAPZCGIHD-WDSOQIARSA-N 2 2 345.487 2.339 10 30 EEEELP C[NH+]1CCN(c2ccc(NCc3ccc(C4(C#N)CC4)cc3)[nH+]c2)CC1 ZINC000594735076 468667949 /nfs/dbraw/zinc/66/79/49/468667949.db2.gz IXIMRGHTWHRUMI-UHFFFAOYSA-N 2 2 347.466 3.001 10 30 EEEELP C=CC[C@H]1CC[N@H+](CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000625703949 470170533 /nfs/dbraw/zinc/17/05/33/470170533.db2.gz QCVQBNMERBGGHI-KRWDZBQOSA-N 2 2 343.471 2.355 10 30 EEEELP C=CC[C@H]1CC[N@@H+](CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000625703949 470170534 /nfs/dbraw/zinc/17/05/34/470170534.db2.gz QCVQBNMERBGGHI-KRWDZBQOSA-N 2 2 343.471 2.355 10 30 EEEELP N#CCc1ccc(OC[C@@H](O)C[NH2+]C[C@H]2CC[N@@H+]2C2CCCC2)cc1 ZINC000600757214 485626134 /nfs/dbraw/zinc/62/61/34/485626134.db2.gz QSIQKYTXQJBQPR-MOPGFXCFSA-N 2 2 343.471 2.099 10 30 EEEELP N#CCc1ccc(OC[C@@H](O)C[NH2+]C[C@H]2CC[N@H+]2C2CCCC2)cc1 ZINC000600757214 485626141 /nfs/dbraw/zinc/62/61/41/485626141.db2.gz QSIQKYTXQJBQPR-MOPGFXCFSA-N 2 2 343.471 2.099 10 30 EEEELP C=C(C)CC[NH2+][C@H]1C[C@H](NC(=O)Cc2cn3cccc(C)c3[nH+]2)C1 ZINC001266626875 1177022069 /nfs/dbraw/zinc/02/20/69/1177022069.db2.gz ZVVKHHNWXKIXJO-WKILWMFISA-N 2 2 326.444 2.388 10 30 EEEELP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)CC[C@H]1C(F)(F)F ZINC001691445875 1178830961 /nfs/dbraw/zinc/83/09/61/1178830961.db2.gz MRIDMVWNSUCFRD-ZIAGYGMSSA-N 2 2 344.381 2.076 10 30 EEEELP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]([NH2+]C/C=C/Cl)c1ccccc1 ZINC001267361732 1178835388 /nfs/dbraw/zinc/83/53/88/1178835388.db2.gz GTNSDPTWCIJTDN-UVWGOUGDSA-N 2 2 345.874 2.284 10 30 EEEELP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]([NH2+]C/C=C/Cl)c1ccccc1 ZINC001267361732 1178835397 /nfs/dbraw/zinc/83/53/97/1178835397.db2.gz GTNSDPTWCIJTDN-UVWGOUGDSA-N 2 2 345.874 2.284 10 30 EEEELP C#CC[NH2+]CCC1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC001267911257 1180748400 /nfs/dbraw/zinc/74/84/00/1180748400.db2.gz JTYHIYIXBSTMDX-UHFFFAOYSA-N 2 2 336.439 2.337 10 30 EEEELP C=CCCC[NH2+]C[C@H]1CCCN1C(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC001267962686 1180854518 /nfs/dbraw/zinc/85/45/18/1180854518.db2.gz IMPDYCZFMDLERZ-RTBURBONSA-N 2 2 349.519 2.177 10 30 EEEELP C=CCCC[NH2+]C[C@H]1CCCN1C(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC001267962686 1180854528 /nfs/dbraw/zinc/85/45/28/1180854528.db2.gz IMPDYCZFMDLERZ-RTBURBONSA-N 2 2 349.519 2.177 10 30 EEEELP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](C[C@H](C)CC(C)C)C1 ZINC001481526560 1181647146 /nfs/dbraw/zinc/64/71/46/1181647146.db2.gz MODLWGTZKPOKLZ-QRVBRYPASA-N 2 2 333.520 2.347 10 30 EEEELP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](C[C@H](C)CC(C)C)C1 ZINC001481526560 1181647149 /nfs/dbraw/zinc/64/71/49/1181647149.db2.gz MODLWGTZKPOKLZ-QRVBRYPASA-N 2 2 333.520 2.347 10 30 EEEELP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC[NH+](C[C@H](C)CC(C)C)C1 ZINC001481526560 1181647151 /nfs/dbraw/zinc/64/71/51/1181647151.db2.gz MODLWGTZKPOKLZ-QRVBRYPASA-N 2 2 333.520 2.347 10 30 EEEELP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC[NH+](C[C@H](C)CC(C)C)C1 ZINC001481526560 1181647155 /nfs/dbraw/zinc/64/71/55/1181647155.db2.gz MODLWGTZKPOKLZ-QRVBRYPASA-N 2 2 333.520 2.347 10 30 EEEELP CCCCCCC[NH+]1CC2(C1)C[C@H](NC(=O)C[NH+]1CCCC1)CO2 ZINC001484805453 1191530338 /nfs/dbraw/zinc/53/03/38/1191530338.db2.gz RPVHLPRMOKHTMK-KRWDZBQOSA-N 2 2 337.508 2.012 10 30 EEEELP C=CCCC[N@H+]1CC=C(CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC001486511558 1194029214 /nfs/dbraw/zinc/02/92/14/1194029214.db2.gz KHTSOMLHEQRZPZ-QGZVFWFLSA-N 2 2 328.460 2.160 10 30 EEEELP C=CCCC[N@@H+]1CC=C(CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC001486511558 1194029218 /nfs/dbraw/zinc/02/92/18/1194029218.db2.gz KHTSOMLHEQRZPZ-QGZVFWFLSA-N 2 2 328.460 2.160 10 30 EEEELP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CCCn3nc(C(=O)OC)cc32)CC1 ZINC000886524005 1202518423 /nfs/dbraw/zinc/51/84/23/1202518423.db2.gz AJWZGLCEDUNULA-OAHLLOKOSA-N 2 2 332.448 2.135 10 30 EEEELP C=CCCC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC001691738145 1211483132 /nfs/dbraw/zinc/48/31/32/1211483132.db2.gz XLPWKEWNLABUFD-SCTDSRPQSA-N 2 2 349.519 2.080 10 30 EEEELP C=CCCC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2COCC[N@H+]2C2CCCC2)C1 ZINC001691738145 1211483134 /nfs/dbraw/zinc/48/31/34/1211483134.db2.gz XLPWKEWNLABUFD-SCTDSRPQSA-N 2 2 349.519 2.080 10 30 EEEELP C=CC[NH2+]CC[C@H]1[C@H](C)CCCN1C(=O)Cc1c[nH+]ccc1OC 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/nfs/dbraw/zinc/68/01/60/1333680160.db2.gz GFOJSULIADGMGR-MRXNPFEDSA-N 2 2 342.487 2.315 10 30 EEEELP C#CCN(C(=O)[C@H](C)Cc1c[nH+]c[nH]1)C1CC[NH+](CCC2CC2)CC1 ZINC001324426154 1333680165 /nfs/dbraw/zinc/68/01/65/1333680165.db2.gz GFOJSULIADGMGR-MRXNPFEDSA-N 2 2 342.487 2.315 10 30 EEEELP C=CCOCC[N@H+]1CC[C@@](C)(NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001324615573 1333723158 /nfs/dbraw/zinc/72/31/58/1333723158.db2.gz PWXMXNAGPWJVFX-LJQANCHMSA-N 2 2 342.443 2.040 10 30 EEEELP C=CCOCC[N@@H+]1CC[C@@](C)(NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001324615573 1333723160 /nfs/dbraw/zinc/72/31/60/1333723160.db2.gz PWXMXNAGPWJVFX-LJQANCHMSA-N 2 2 342.443 2.040 10 30 EEEELP C#CC[NH+]1CCCCC[C@H]1CNC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001329950690 1334747011 /nfs/dbraw/zinc/74/70/11/1334747011.db2.gz CTARAOLOGOMIEH-IBGZPJMESA-N 2 2 327.472 2.112 10 30 EEEELP C#CC[NH+]1CCCCC[C@H]1CNC(=O)C[N@H+](C)Cc1ccccc1 ZINC001329950690 1334747013 /nfs/dbraw/zinc/74/70/13/1334747013.db2.gz CTARAOLOGOMIEH-IBGZPJMESA-N 2 2 327.472 2.112 10 30 EEEELP C#CC[N@H+]1CCCCC[C@H]1CNC(=O)C[NH+](C)Cc1ccccc1 ZINC001329950690 1334747017 /nfs/dbraw/zinc/74/70/17/1334747017.db2.gz CTARAOLOGOMIEH-IBGZPJMESA-N 2 2 327.472 2.112 10 30 EEEELP C#CC[N@@H+]1CCCCC[C@H]1CNC(=O)C[NH+](C)Cc1ccccc1 ZINC001329950690 1334747021 /nfs/dbraw/zinc/74/70/21/1334747021.db2.gz CTARAOLOGOMIEH-IBGZPJMESA-N 2 2 327.472 2.112 10 30 EEEELP C=C(C)CC[N@@H+]1CC[C@@]2(NC(=O)CCc3[nH+]ccn3C)CCC[C@H]12 ZINC001332103338 1335730128 /nfs/dbraw/zinc/73/01/28/1335730128.db2.gz ZGMAXMYORUCVDH-LPHOPBHVSA-N 2 2 330.476 2.432 10 30 EEEELP C=C(C)CC[N@H+]1CC[C@@]2(NC(=O)CCc3[nH+]ccn3C)CCC[C@H]12 ZINC001332103338 1335730130 /nfs/dbraw/zinc/73/01/30/1335730130.db2.gz ZGMAXMYORUCVDH-LPHOPBHVSA-N 2 2 330.476 2.432 10 30 EEEELP C=CCCC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC001566691892 1342604236 /nfs/dbraw/zinc/60/42/36/1342604236.db2.gz WERVDIWJZVYVQE-SJORKVTESA-N 2 2 342.487 2.382 10 30 EEEELP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CCc1c[nH+]cn1C)C2 ZINC001569860971 1342960473 /nfs/dbraw/zinc/96/04/73/1342960473.db2.gz JCAXHIOETOFEEB-BJWYYQGGSA-N 2 2 330.476 2.288 10 30 EEEELP C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CCc1c[nH+]cn1C)C2 ZINC001569860971 1342960474 /nfs/dbraw/zinc/96/04/74/1342960474.db2.gz JCAXHIOETOFEEB-BJWYYQGGSA-N 2 2 330.476 2.288 10 30 EEEELP C=CC[NH2+]C[C@H]1CC[C@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)CC1 ZINC001570039546 1343002942 /nfs/dbraw/zinc/00/29/42/1343002942.db2.gz QMUHEQBTAYFEMR-WKILWMFISA-N 2 2 330.476 2.213 10 30 EEEELP C=CCCCCC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001661618241 1354665244 /nfs/dbraw/zinc/66/52/44/1354665244.db2.gz OTRMGFZRJVDDTA-YESZJQIVSA-N 2 2 330.476 2.429 10 30 EEEELP C=C(Cl)C[NH2+]CCc1ccc(CNC(=O)Cc2[nH]c[nH+]c2C)cc1 ZINC001662817945 1354853419 /nfs/dbraw/zinc/85/34/19/1354853419.db2.gz CBYOYPVSSCBPDA-UHFFFAOYSA-N 2 2 346.862 2.462 10 30 EEEELP C=CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001673634618 1356721937 /nfs/dbraw/zinc/72/19/37/1356721937.db2.gz SRZMVGXFLAZNLF-GOSISDBHSA-N 2 2 327.472 2.200 10 30 EEEELP C=CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001673634618 1356721940 /nfs/dbraw/zinc/72/19/40/1356721940.db2.gz SRZMVGXFLAZNLF-GOSISDBHSA-N 2 2 327.472 2.200 10 30 EEEELP C#CCC[NH2+][C@@H](CCN(C)C(=O)C(C)(C)n1c[nH+]c(C)c1)C(C)C ZINC001675130405 1356936774 /nfs/dbraw/zinc/93/67/74/1356936774.db2.gz YXYGHHCCEUVJEC-KRWDZBQOSA-N 2 2 332.492 2.413 10 30 EEEELP C=C(C)CC[N@@H+]1CC[C@H](CCNC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001691892357 1404955915 /nfs/dbraw/zinc/95/59/15/1404955915.db2.gz BOAQPSCVAZISPZ-DLBZAZTESA-N 2 2 330.476 2.240 10 30 EEEELP C=C(C)CC[N@H+]1CC[C@H](CCNC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001691892357 1404955928 /nfs/dbraw/zinc/95/59/28/1404955928.db2.gz BOAQPSCVAZISPZ-DLBZAZTESA-N 2 2 330.476 2.240 10 30 EEEELP C#CC[N@H+](C)CCC1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)CC1 ZINC001698951859 1405182471 /nfs/dbraw/zinc/18/24/71/1405182471.db2.gz LPMHSDFBQTYFOK-UHFFFAOYSA-N 2 2 338.455 2.450 10 30 EEEELP C#CC[N@@H+](C)CCC1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)CC1 ZINC001698951859 1405182474 /nfs/dbraw/zinc/18/24/74/1405182474.db2.gz LPMHSDFBQTYFOK-UHFFFAOYSA-N 2 2 338.455 2.450 10 30 EEEELP C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)C(C)(C)C1 ZINC000940847332 779409306 /nfs/dbraw/zinc/40/93/06/779409306.db2.gz VLAVDNJGAVFMGU-WBVHZDCISA-N 2 2 330.476 2.238 10 30 EEEELP C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)C(C)(C)C1 ZINC000940847332 779409311 /nfs/dbraw/zinc/40/93/11/779409311.db2.gz VLAVDNJGAVFMGU-WBVHZDCISA-N 2 2 330.476 2.238 10 30 EEEELP C=C(Cl)C[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CCCn1cc[nH+]c1 ZINC001440201674 1093273091 /nfs/dbraw/zinc/27/30/91/1093273091.db2.gz MGOAIFBJKLHUKI-CVEARBPZSA-N 2 2 336.867 2.481 10 30 EEEELP C=C(Cl)C[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CCCn1cc[nH+]c1 ZINC001440201674 1093273097 /nfs/dbraw/zinc/27/30/97/1093273097.db2.gz MGOAIFBJKLHUKI-CVEARBPZSA-N 2 2 336.867 2.481 10 30 EEEELP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCCCCC)CC1(C)C ZINC001506741899 1114853242 /nfs/dbraw/zinc/85/32/42/1114853242.db2.gz LXKSRWOAZNWFSD-ZWKOTPCHSA-N 2 2 333.520 2.491 10 30 EEEELP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCCCCC)CC1(C)C ZINC001506741899 1114853247 /nfs/dbraw/zinc/85/32/47/1114853247.db2.gz LXKSRWOAZNWFSD-ZWKOTPCHSA-N 2 2 333.520 2.491 10 30 EEEELP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCCCCC)CC1(C)C ZINC001506741899 1114853252 /nfs/dbraw/zinc/85/32/52/1114853252.db2.gz LXKSRWOAZNWFSD-ZWKOTPCHSA-N 2 2 333.520 2.491 10 30 EEEELP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCCCCC)CC1(C)C ZINC001506741899 1114853256 /nfs/dbraw/zinc/85/32/56/1114853256.db2.gz LXKSRWOAZNWFSD-ZWKOTPCHSA-N 2 2 333.520 2.491 10 30 EEEELP C=C(C)Cn1c(C[NH+]2CCCCC2)nnc1N1CCC[N@@H+](CC)CC1 ZINC001516016989 1118993107 /nfs/dbraw/zinc/99/31/07/1118993107.db2.gz PYEKKTLFMYYWFW-UHFFFAOYSA-N 2 2 346.523 2.372 10 30 EEEELP C=C(C)Cn1c(C[NH+]2CCCCC2)nnc1N1CCC[N@H+](CC)CC1 ZINC001516016989 1118993109 /nfs/dbraw/zinc/99/31/09/1118993109.db2.gz PYEKKTLFMYYWFW-UHFFFAOYSA-N 2 2 346.523 2.372 10 30 EEEELP C[NH+]1CCC(CNC(=O)c2cc(C#N)cs2)([NH+]2CCCCC2)CC1 ZINC000177106375 143637944 /nfs/dbraw/zinc/63/79/44/143637944.db2.gz KHWQZSCULZZIOI-UHFFFAOYSA-N 2 2 346.500 2.300 10 30 EEEELP C=CCn1cc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)nn1 ZINC000424293834 467023310 /nfs/dbraw/zinc/02/33/10/467023310.db2.gz JPWPEGLOZFDMEW-LPHOPBHVSA-N 2 2 325.460 2.464 10 30 EEEELP C=CCn1cc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)nn1 ZINC000424293834 467023315 /nfs/dbraw/zinc/02/33/15/467023315.db2.gz JPWPEGLOZFDMEW-LPHOPBHVSA-N 2 2 325.460 2.464 10 30 EEEELP N#CCCCC[C@H]([NH3+])C(=O)N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000594445929 468591832 /nfs/dbraw/zinc/59/18/32/468591832.db2.gz NRFZQAWGWXFVGA-KRWDZBQOSA-N 2 2 348.878 2.395 10 30 EEEELP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000595302825 468807050 /nfs/dbraw/zinc/80/70/50/468807050.db2.gz LFTFSFWWIRUEAM-QGZVFWFLSA-N 2 2 331.460 2.103 10 30 EEEELP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000595302825 468807053 /nfs/dbraw/zinc/80/70/53/468807053.db2.gz LFTFSFWWIRUEAM-QGZVFWFLSA-N 2 2 331.460 2.103 10 30 EEEELP CC[C@@H]([NH2+]CCCN1CCC[N@H+](C)CC1)c1cccc(C#N)c1O ZINC000924966511 682083462 /nfs/dbraw/zinc/08/34/62/682083462.db2.gz ORBFEQGEJRORNM-GOSISDBHSA-N 2 2 330.476 2.332 10 30 EEEELP CC[C@@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1cccc(C#N)c1O ZINC000924966511 682083468 /nfs/dbraw/zinc/08/34/68/682083468.db2.gz ORBFEQGEJRORNM-GOSISDBHSA-N 2 2 330.476 2.332 10 30 EEEELP C[C@@H](CCC[NH2+]Cc1cc(F)ccc1C#N)NC(=O)Cc1[nH]cc[nH+]1 ZINC001485743799 1191919043 /nfs/dbraw/zinc/91/90/43/1191919043.db2.gz IDAZEWQRKPZMQY-ZDUSSCGKSA-N 2 2 343.406 2.038 10 30 EEEELP C[N@@H+]1CCCC[C@@H]1C(=O)NCC[NH+](CC#Cc1ccccc1)C1CC1 ZINC001266597276 1176912662 /nfs/dbraw/zinc/91/26/62/1176912662.db2.gz YDFOUEHSYILXAE-HXUWFJFHSA-N 2 2 339.483 2.103 10 30 EEEELP C[N@H+]1CCCC[C@@H]1C(=O)NCC[NH+](CC#Cc1ccccc1)C1CC1 ZINC001266597276 1176912668 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EEEELP C#CCN(C(=O)[C@H]1CCn2c[nH+]cc2C1)C1CC[NH+](CC(C)C)CC1 ZINC001270321177 1185013931 /nfs/dbraw/zinc/01/39/31/1185013931.db2.gz OQHJBCFLLWWDIG-KRWDZBQOSA-N 2 2 342.487 2.028 10 30 EEEELP C#CCN(C(=O)CCCn1cc[nH+]c1)C1CC[NH+](CC(C)C)CC1 ZINC001270364806 1185049721 /nfs/dbraw/zinc/04/97/21/1185049721.db2.gz VBXLISNGUBJXLB-UHFFFAOYSA-N 2 2 330.476 2.246 10 30 EEEELP C[C@@H](C[NH2+]Cc1ccc(C#N)cc1)N(C)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001482299385 1185193479 /nfs/dbraw/zinc/19/34/79/1185193479.db2.gz YQSRTBQCCRRCDZ-IAOVAPTHSA-N 2 2 337.427 2.022 10 30 EEEELP C[C@@H](C[NH2+]Cc1ccc(C#N)cc1)N(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001482299385 1185193481 /nfs/dbraw/zinc/19/34/81/1185193481.db2.gz YQSRTBQCCRRCDZ-IAOVAPTHSA-N 2 2 337.427 2.022 10 30 EEEELP C[C@H](C[NH2+]CC#Cc1ccccc1)N(C)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001271170824 1186047692 /nfs/dbraw/zinc/04/76/92/1186047692.db2.gz NACVIEZMFGAYTR-MRXNPFEDSA-N 2 2 338.455 2.176 10 30 EEEELP C#CCC[N@H+]1CC[C@H]([C@H]2CCCCN2C(=O)CCCn2cc[nH+]c2)C1 ZINC001670924341 1193527764 /nfs/dbraw/zinc/52/77/64/1193527764.db2.gz WRRYRKNJMNPWJS-RBUKOAKNSA-N 2 2 342.487 2.390 10 30 EEEELP C#CCC[N@@H+]1CC[C@H]([C@H]2CCCCN2C(=O)CCCn2cc[nH+]c2)C1 ZINC001670924341 1193527766 /nfs/dbraw/zinc/52/77/66/1193527766.db2.gz WRRYRKNJMNPWJS-RBUKOAKNSA-N 2 2 342.487 2.390 10 30 EEEELP C=C(C)CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001691601699 1188302961 /nfs/dbraw/zinc/30/29/61/1188302961.db2.gz JFAPOHFNLTZTTH-YESZJQIVSA-N 2 2 330.476 2.286 10 30 EEEELP C#CCN(C(=O)Cc1c[nH+]c[nH]1)C1CC[NH+](CCCCCF)CC1 ZINC001483987025 1191143320 /nfs/dbraw/zinc/14/33/20/1191143320.db2.gz BDVLNVPNFFFPRY-UHFFFAOYSA-N 2 2 334.439 2.018 10 30 EEEELP C#CC[N@H+]1CC[C@H](NC(=O)[C@H](CC(C)C)n2cc[nH+]c2)C(C)(C)C1 ZINC001484936339 1191579935 /nfs/dbraw/zinc/57/99/35/1191579935.db2.gz ICYUINVIVOOINJ-IRXDYDNUSA-N 2 2 330.476 2.320 10 30 EEEELP C#CC[N@@H+]1CC[C@H](NC(=O)[C@H](CC(C)C)n2cc[nH+]c2)C(C)(C)C1 ZINC001484936339 1191579936 /nfs/dbraw/zinc/57/99/36/1191579936.db2.gz ICYUINVIVOOINJ-IRXDYDNUSA-N 2 2 330.476 2.320 10 30 EEEELP C#CC[N@@H+](C)CCC[NH2+]Cc1ccccc1N1CC[NH+](CCC)CC1 ZINC001202602681 1202184737 /nfs/dbraw/zinc/18/47/37/1202184737.db2.gz KIZIRBRJHUJJHY-UHFFFAOYSA-N 3 2 342.531 2.263 10 30 EEEELP C#CC[N@H+](C)CCC[NH2+]Cc1ccccc1N1CC[NH+](CCC)CC1 ZINC001202602681 1202184739 /nfs/dbraw/zinc/18/47/39/1202184739.db2.gz KIZIRBRJHUJJHY-UHFFFAOYSA-N 3 2 342.531 2.263 10 30 EEEELP C#CC[NH+]1CCC(NC(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)CC1 ZINC000928653148 1206407986 /nfs/dbraw/zinc/40/79/86/1206407986.db2.gz AUKGBOYLJJGPJM-SFHVURJKSA-N 2 2 336.439 2.146 10 30 EEEELP C#CCC[NH2+][C@@H]1CC[C@H](CNC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001264472187 1322707240 /nfs/dbraw/zinc/70/72/40/1322707240.db2.gz MOBYWUVNGKVPJD-FUHWJXTLSA-N 2 2 336.439 2.384 10 30 EEEELP C=C(C)C[NH2+]C[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CC[C@H]1C(F)(F)F ZINC001264594584 1322745637 /nfs/dbraw/zinc/74/56/37/1322745637.db2.gz NAUVGYUYEHFETH-GXTWGEPZSA-N 2 2 344.381 2.145 10 30 EEEELP C=CCOCC[NH2+]C[C@H]1CCCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001265612857 1323266054 /nfs/dbraw/zinc/26/60/54/1323266054.db2.gz CSXPEIQSSLPRIW-OAHLLOKOSA-N 2 2 342.443 2.207 10 30 EEEELP C=CCC[C@@H](C)[NH+]1CCC(C2(NC(=O)[C@H]3C[N@H+](C)CCO3)CC2)CC1 ZINC001284844741 1326741030 /nfs/dbraw/zinc/74/10/30/1326741030.db2.gz ZAUDQMRDWFTGGR-SJLPKXTDSA-N 2 2 349.519 2.033 10 30 EEEELP C=CCC[C@@H](C)[NH+]1CCC(C2(NC(=O)[C@H]3C[N@@H+](C)CCO3)CC2)CC1 ZINC001284844741 1326741033 /nfs/dbraw/zinc/74/10/33/1326741033.db2.gz ZAUDQMRDWFTGGR-SJLPKXTDSA-N 2 2 349.519 2.033 10 30 EEEELP C#CCC[N@H+]1CCC[C@H](CNC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001317136317 1332093762 /nfs/dbraw/zinc/09/37/62/1332093762.db2.gz AOHMDGPYLBJCQT-QZTJIDSGSA-N 2 2 330.476 2.322 10 30 EEEELP C#CCC[N@@H+]1CCC[C@H](CNC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001317136317 1332093765 /nfs/dbraw/zinc/09/37/65/1332093765.db2.gz AOHMDGPYLBJCQT-QZTJIDSGSA-N 2 2 330.476 2.322 10 30 EEEELP C=C(C)C[NH2+]Cc1ccc(CNC(=O)[C@@H]2CCc3[nH+]ccn3C2)cc1 ZINC001318995593 1332634446 /nfs/dbraw/zinc/63/44/46/1332634446.db2.gz DLPQCZULUHJMMJ-GOSISDBHSA-N 2 2 338.455 2.428 10 30 EEEELP CC#CC[NH+]1CCC(CCNC(=O)Cc2cn3c([nH+]2)CCCC3)CC1 ZINC001319020460 1332638513 /nfs/dbraw/zinc/63/85/13/1332638513.db2.gz CGZUGYSTFJXZFW-UHFFFAOYSA-N 2 2 342.487 2.004 10 30 EEEELP C=CC[N@H+](CC1CC1)C1CCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC001323733306 1333526861 /nfs/dbraw/zinc/52/68/61/1333526861.db2.gz DYVXHWXTHOUWDR-KRWDZBQOSA-N 2 2 342.487 2.335 10 30 EEEELP C=CC[N@@H+](CC1CC1)C1CCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC001323733306 1333526864 /nfs/dbraw/zinc/52/68/64/1333526864.db2.gz DYVXHWXTHOUWDR-KRWDZBQOSA-N 2 2 342.487 2.335 10 30 EEEELP C=CCC[NH2+][C@H](C)C1CCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC001567627848 1342796826 /nfs/dbraw/zinc/79/68/26/1342796826.db2.gz ZRFKIAYMNPNJAB-WBVHZDCISA-N 2 2 330.476 2.238 10 30 EEEELP CC#CC[N@H+](C)C[C@H]1CCCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001661216599 1354610314 /nfs/dbraw/zinc/61/03/14/1354610314.db2.gz UFRBJVHWNBLFKT-QGZVFWFLSA-N 2 2 330.476 2.120 10 30 EEEELP CC#CC[N@@H+](C)C[C@H]1CCCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001661216599 1354610315 /nfs/dbraw/zinc/61/03/15/1354610315.db2.gz UFRBJVHWNBLFKT-QGZVFWFLSA-N 2 2 330.476 2.120 10 30 EEEELP CCC[N@H+](C)CCC(=O)N1C[C@@H]2C[C@H]1C[NH+]2CC#Cc1ccccc1 ZINC001665425348 1355306426 /nfs/dbraw/zinc/30/64/26/1355306426.db2.gz RJCBVDZNJCYPPL-PMACEKPBSA-N 2 2 339.483 2.055 10 30 EEEELP CCC[N@@H+](C)CCC(=O)N1C[C@@H]2C[C@H]1C[NH+]2CC#Cc1ccccc1 ZINC001665425348 1355306429 /nfs/dbraw/zinc/30/64/29/1355306429.db2.gz RJCBVDZNJCYPPL-PMACEKPBSA-N 2 2 339.483 2.055 10 30 EEEELP CCC[NH+](C)CCC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CC#Cc1ccccc1 ZINC001665425348 1355306432 /nfs/dbraw/zinc/30/64/32/1355306432.db2.gz RJCBVDZNJCYPPL-PMACEKPBSA-N 2 2 339.483 2.055 10 30 EEEELP CCC[NH+](C)CCC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CC#Cc1ccccc1 ZINC001665425348 1355306435 /nfs/dbraw/zinc/30/64/35/1355306435.db2.gz RJCBVDZNJCYPPL-PMACEKPBSA-N 2 2 339.483 2.055 10 30 EEEELP C[C@H](CC[NH2+]CC#Cc1cccc(Cl)c1)NC(=O)Cn1cc[nH+]c1 ZINC001668333471 1355925395 /nfs/dbraw/zinc/92/53/95/1355925395.db2.gz ZGVWRRAEHPBFSI-OAHLLOKOSA-N 2 2 344.846 2.073 10 30 EEEELP C=CCCC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC001673388128 1356682959 /nfs/dbraw/zinc/68/29/59/1356682959.db2.gz ZSLCZYSGOBDNHJ-SJORKVTESA-N 2 2 330.476 2.382 10 30 EEEELP C=CCCC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC001673388128 1356682961 /nfs/dbraw/zinc/68/29/61/1356682961.db2.gz ZSLCZYSGOBDNHJ-SJORKVTESA-N 2 2 330.476 2.382 10 30 EEEELP C[C@@H](NC(=O)Cc1[nH]cc[nH+]1)[C@@H](C)[NH2+]CC#Cc1ccc(Cl)cc1 ZINC001674747722 1356888329 /nfs/dbraw/zinc/88/83/29/1356888329.db2.gz KOKMUZZPCLKYNZ-ZIAGYGMSSA-N 2 2 344.846 2.140 10 30 EEEELP C[C@@H](C[N@H+](C)Cc1cc(F)ccc1C#N)NC(=O)[C@H]1CCCC[NH+]1C ZINC001439346741 1092054439 /nfs/dbraw/zinc/05/44/39/1092054439.db2.gz YKTSWCZJIKJEEO-KBXCAEBGSA-N 2 2 346.450 2.118 10 30 EEEELP C[C@@H](C[N@@H+](C)Cc1cc(F)ccc1C#N)NC(=O)[C@H]1CCCC[NH+]1C ZINC001439346741 1092054446 /nfs/dbraw/zinc/05/44/46/1092054446.db2.gz YKTSWCZJIKJEEO-KBXCAEBGSA-N 2 2 346.450 2.118 10 30 EEEELP C[C@@H](C[NH+](C)Cc1cc(F)ccc1C#N)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001439346741 1092054454 /nfs/dbraw/zinc/05/44/54/1092054454.db2.gz YKTSWCZJIKJEEO-KBXCAEBGSA-N 2 2 346.450 2.118 10 30 EEEELP C[C@@H](C[NH+](C)Cc1cc(F)ccc1C#N)NC(=O)[C@H]1CCCC[N@H+]1C ZINC001439346741 1092054462 /nfs/dbraw/zinc/05/44/62/1092054462.db2.gz YKTSWCZJIKJEEO-KBXCAEBGSA-N 2 2 346.450 2.118 10 30 EEEELP CC#CC[NH+]1CCC(N(CCC)C(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC001479992854 1099456485 /nfs/dbraw/zinc/45/64/85/1099456485.db2.gz CUEQJVIWFCMIIK-KRWDZBQOSA-N 2 2 342.487 2.172 10 30 EEEELP COCC#CC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)c1c(C)cc(C)[nH+]c1C ZINC001496894179 1101680251 /nfs/dbraw/zinc/68/02/51/1101680251.db2.gz HVEKSIJXKDFTEX-ROUUACIJSA-N 2 2 343.471 2.145 10 30 EEEELP C=C(C)CC[NH2+]C[C@H]1CN(C(=O)c2c(C)cc(C)[nH+]c2C)CCO1 ZINC001502066334 1113575274 /nfs/dbraw/zinc/57/52/74/1113575274.db2.gz GJQONEGUYORHHI-KRWDZBQOSA-N 2 2 331.460 2.404 10 30 EEEELP C=CC[NH2+]Cc1ccc(CNC(=O)[C@H]2CCc3c[nH+]cn3C2)c(F)c1 ZINC001508236356 1115457251 /nfs/dbraw/zinc/45/72/51/1115457251.db2.gz QHHCPUVPKAQUSI-INIZCTEOSA-N 2 2 342.418 2.177 10 30 EEEELP CC#CC[NH2+][C@H]1CC[C@H](NC(=O)Cc2cn3cccc(C)c3[nH+]2)CC1 ZINC001568112427 1124308367 /nfs/dbraw/zinc/30/83/67/1124308367.db2.gz YEIUNOKZHRSIPR-QAQDUYKDSA-N 2 2 338.455 2.226 10 30 EEEELP N#Cc1csc(C[NH2+]CCC[NH+]2CCN(c3ccccc3)CC2)n1 ZINC000352840900 162305921 /nfs/dbraw/zinc/30/59/21/162305921.db2.gz PJBHSDYOLNJTHL-UHFFFAOYSA-N 2 2 341.484 2.317 10 30 EEEELP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+](CCOc2cccc(C#N)c2)CC1 ZINC000071892868 463459469 /nfs/dbraw/zinc/45/94/69/463459469.db2.gz KRKGATWXASZCRR-LJQANCHMSA-N 2 2 342.487 2.039 10 30 EEEELP C[N@H+]1CCCC[C@@H]1CN1CC[NH+](CCOc2cccc(C#N)c2)CC1 ZINC000071892868 463459471 /nfs/dbraw/zinc/45/94/71/463459471.db2.gz KRKGATWXASZCRR-LJQANCHMSA-N 2 2 342.487 2.039 10 30 EEEELP N#Cc1ccc(C[NH+]2CCC([NH2+][C@H]3CCCn4ncnc43)CC2)cc1 ZINC000181869856 464534074 /nfs/dbraw/zinc/53/40/74/464534074.db2.gz RKGFHIKWQPVSPQ-SFHVURJKSA-N 2 2 336.443 2.239 10 30 EEEELP CCN(CCC#N)C(=O)C[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282168169 464721029 /nfs/dbraw/zinc/72/10/29/464721029.db2.gz UWVDVMXVAHOTTN-MRXNPFEDSA-N 2 2 343.475 2.161 10 30 EEEELP CCN(CCC#N)C(=O)C[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282168169 464721034 /nfs/dbraw/zinc/72/10/34/464721034.db2.gz UWVDVMXVAHOTTN-MRXNPFEDSA-N 2 2 343.475 2.161 10 30 EEEELP COCC[C@@H](COC)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000353641683 466032730 /nfs/dbraw/zinc/03/27/30/466032730.db2.gz JPDHTSGQRVUDPF-IBGZPJMESA-N 2 2 331.460 2.164 10 30 EEEELP C[N@@H+]1CCN(Cc2ccccc2)[C@@H](C[NH2+]Cc2ccc(C#N)cc2)C1 ZINC000594993115 468740155 /nfs/dbraw/zinc/74/01/55/468740155.db2.gz BYONQVXSVFZKBM-NRFANRHFSA-N 2 2 334.467 2.464 10 30 EEEELP C[N@H+]1CCN(Cc2ccccc2)[C@@H](C[NH2+]Cc2ccc(C#N)cc2)C1 ZINC000594993115 468740157 /nfs/dbraw/zinc/74/01/57/468740157.db2.gz BYONQVXSVFZKBM-NRFANRHFSA-N 2 2 334.467 2.464 10 30 EEEELP C#CCC[NH+]1CCC(N(CCC)C(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC001266388786 1176462029 /nfs/dbraw/zinc/46/20/29/1176462029.db2.gz RBPQZFDTFPQIIL-QGZVFWFLSA-N 2 2 342.487 2.172 10 30 EEEELP CC#CC[NH2+]C[C@]1(NC(=O)Cc2c[nH+]ccc2OC)CCCC[C@H]1C ZINC001267869528 1180658004 /nfs/dbraw/zinc/65/80/04/1180658004.db2.gz FCMBDNNHQXCRKX-OXQOHEQNSA-N 2 2 343.471 2.311 10 30 EEEELP CCCCCCC[NH+]1CC(CNC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001268844409 1183762453 /nfs/dbraw/zinc/76/24/53/1183762453.db2.gz RDWYZMCSKOFNOO-KRWDZBQOSA-N 2 2 332.492 2.464 10 30 EEEELP C#CCC[NH2+]CC[C@@H]1CCCN(C(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001269737438 1184570436 /nfs/dbraw/zinc/57/04/36/1184570436.db2.gz KAZARLMFQPBXBT-KRWDZBQOSA-N 2 2 342.487 2.004 10 30 EEEELP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@]1(C)CCC[NH+](C/C=C\Cl)C1 ZINC001270965578 1185776613 /nfs/dbraw/zinc/77/66/13/1185776613.db2.gz LIMNXLVQEABBGT-SHNOEDDCSA-N 2 2 337.895 2.055 10 30 EEEELP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@]1(C)CCC[NH+](C/C=C\Cl)C1 ZINC001270965578 1185776618 /nfs/dbraw/zinc/77/66/18/1185776618.db2.gz LIMNXLVQEABBGT-SHNOEDDCSA-N 2 2 337.895 2.055 10 30 EEEELP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@]1(C)CCC[N@H+](C/C=C\Cl)C1 ZINC001270965578 1185776623 /nfs/dbraw/zinc/77/66/23/1185776623.db2.gz LIMNXLVQEABBGT-SHNOEDDCSA-N 2 2 337.895 2.055 10 30 EEEELP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@]1(C)CCC[N@@H+](C/C=C\Cl)C1 ZINC001270965578 1185776627 /nfs/dbraw/zinc/77/66/27/1185776627.db2.gz LIMNXLVQEABBGT-SHNOEDDCSA-N 2 2 337.895 2.055 10 30 EEEELP C[C@@H](CC[NH2+]Cc1ccc(F)c(C#N)c1)NC(=O)CCc1c[nH]c[nH+]1 ZINC001482839189 1187758422 /nfs/dbraw/zinc/75/84/22/1187758422.db2.gz JKKIXMZKJJATSV-ZDUSSCGKSA-N 2 2 343.406 2.038 10 30 EEEELP C[C@@H](CC[NH2+]Cc1ccc(F)c(C#N)c1)NC(=O)CCc1c[nH+]c[nH]1 ZINC001482839189 1187758424 /nfs/dbraw/zinc/75/84/24/1187758424.db2.gz JKKIXMZKJJATSV-ZDUSSCGKSA-N 2 2 343.406 2.038 10 30 EEEELP C[C@@H](NC(=O)CCc1c[nH]c[nH+]1)[C@@H](C)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001409387759 1189614057 /nfs/dbraw/zinc/61/40/57/1189614057.db2.gz RKWWEYIIGGBFEC-CHWSQXEVSA-N 2 2 343.406 2.036 10 30 EEEELP C[C@@H](NC(=O)CCc1c[nH+]c[nH]1)[C@@H](C)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001409387759 1189614059 /nfs/dbraw/zinc/61/40/59/1189614059.db2.gz RKWWEYIIGGBFEC-CHWSQXEVSA-N 2 2 343.406 2.036 10 30 EEEELP C[C@H](CC(=O)N(C)C[C@H](C)[NH2+]Cc1ccc(C#N)cc1)n1cc[nH+]c1 ZINC001485927794 1193643191 /nfs/dbraw/zinc/64/31/91/1193643191.db2.gz CUJZMFKNTQTKBD-JKSUJKDBSA-N 2 2 339.443 2.343 10 30 EEEELP C#CCC[N@@H+](C)Cc1ccccc1CNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001272675088 1191017821 /nfs/dbraw/zinc/01/78/21/1191017821.db2.gz GJMQDCCQCFTADI-MRXNPFEDSA-N 2 2 338.455 2.360 10 30 EEEELP C#CCC[N@H+](C)Cc1ccccc1CNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001272675088 1191017823 /nfs/dbraw/zinc/01/78/23/1191017823.db2.gz GJMQDCCQCFTADI-MRXNPFEDSA-N 2 2 338.455 2.360 10 30 EEEELP C#CCC[N@@H+](C)Cc1ccccc1CNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001272675088 1191017825 /nfs/dbraw/zinc/01/78/25/1191017825.db2.gz GJMQDCCQCFTADI-MRXNPFEDSA-N 2 2 338.455 2.360 10 30 EEEELP C#CCC[N@H+](C)Cc1ccccc1CNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001272675088 1191017827 /nfs/dbraw/zinc/01/78/27/1191017827.db2.gz GJMQDCCQCFTADI-MRXNPFEDSA-N 2 2 338.455 2.360 10 30 EEEELP C=C(C)CC[NH2+]CC[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001484538154 1191404454 /nfs/dbraw/zinc/40/44/54/1191404454.db2.gz UQEYCMOIXOPVKT-GVDBMIGSSA-N 2 2 330.476 2.318 10 30 EEEELP C#CCC1(O)CC[NH+](C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)CC1 ZINC000880484018 1201499488 /nfs/dbraw/zinc/49/94/88/1201499488.db2.gz OEVYJWQBNCXJQO-HXUWFJFHSA-N 2 2 342.483 2.128 10 30 EEEELP C#CCC1(O)CC[NH+](C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC1 ZINC000880484018 1201499491 /nfs/dbraw/zinc/49/94/91/1201499491.db2.gz OEVYJWQBNCXJQO-HXUWFJFHSA-N 2 2 342.483 2.128 10 30 EEEELP C=CCC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C)[C@H]1CCCO1 ZINC000883222424 1202032984 /nfs/dbraw/zinc/03/29/84/1202032984.db2.gz TWHOXIMPGIYXOX-BMSWRWNDSA-N 2 2 349.519 2.173 10 30 EEEELP C=CCC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C)[C@H]1CCCO1 ZINC000883222424 1202032987 /nfs/dbraw/zinc/03/29/87/1202032987.db2.gz TWHOXIMPGIYXOX-BMSWRWNDSA-N 2 2 349.519 2.173 10 30 EEEELP CCCC[C@@H](C[NH2+]CC#Cc1ccccc1)NC(=O)Cn1cc[nH+]c1 ZINC001276277317 1205864799 /nfs/dbraw/zinc/86/47/99/1205864799.db2.gz JEDAZVYVALBMHY-IBGZPJMESA-N 2 2 338.455 2.199 10 30 EEEELP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1cc(C#N)ccn1 ZINC000902880270 1238825648 /nfs/dbraw/zinc/82/56/48/1238825648.db2.gz HGQWILSNKHRYPV-JVPBZIDWSA-N 2 2 328.460 2.372 10 30 EEEELP C=C(C)CC[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001278549708 1317209851 /nfs/dbraw/zinc/20/98/51/1317209851.db2.gz CKTWOKPWHRSLLZ-GPMSIDNRSA-N 2 2 330.476 2.318 10 30 EEEELP C=CCCC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001264468645 1322706253 /nfs/dbraw/zinc/70/62/53/1322706253.db2.gz DJHRKSUNICFRBE-GVDBMIGSSA-N 2 2 330.476 2.286 10 30 EEEELP C=CCC[C@H](C)[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001265408652 1323136151 /nfs/dbraw/zinc/13/61/51/1323136151.db2.gz PUEZYOPYLQZWNN-XLAORIBOSA-N 2 2 342.487 2.475 10 30 EEEELP C=CCC[C@H](C)[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001265408652 1323136160 /nfs/dbraw/zinc/13/61/60/1323136160.db2.gz PUEZYOPYLQZWNN-XLAORIBOSA-N 2 2 342.487 2.475 10 30 EEEELP C#CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)CC[NH+]1CCCCC1 ZINC001281071139 1324751696 /nfs/dbraw/zinc/75/16/96/1324751696.db2.gz JTMOAPODEONFIV-FQEVSTJZSA-N 2 2 339.483 2.039 10 30 EEEELP C#CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)CC[NH+]1CCCCC1 ZINC001281071139 1324751699 /nfs/dbraw/zinc/75/16/99/1324751699.db2.gz JTMOAPODEONFIV-FQEVSTJZSA-N 2 2 339.483 2.039 10 30 EEEELP C=CCC[C@H](C)[NH+]1CCC(CO)(NC(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001281821216 1325473388 /nfs/dbraw/zinc/47/33/88/1325473388.db2.gz YTIRQALYMAIJFS-DLBZAZTESA-N 2 2 348.491 2.132 10 30 EEEELP O=C(N[C@H]1C[C@H](C[NH2+]CC#Cc2ccccc2)C1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001283051914 1325901505 /nfs/dbraw/zinc/90/15/05/1325901505.db2.gz VWGCNXNQBLKBKD-NCXUSEDFSA-N 2 2 348.450 2.049 10 30 EEEELP O=C(N[C@H]1C[C@H](C[NH2+]CC#Cc2ccccc2)C1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001283051914 1325901507 /nfs/dbraw/zinc/90/15/07/1325901507.db2.gz VWGCNXNQBLKBKD-NCXUSEDFSA-N 2 2 348.450 2.049 10 30 EEEELP C=CCCC[NH2+]C[C@@H]1CCN(C(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001491803909 1330261001 /nfs/dbraw/zinc/26/10/01/1330261001.db2.gz ACVXZGDUFRGIOZ-INIZCTEOSA-N 2 2 330.476 2.166 10 30 EEEELP C[NH+](C)CCC(=O)N1CCC[C@H]([N@H+](C)Cc2cc(F)ccc2C#N)C1 ZINC001491946655 1330337955 /nfs/dbraw/zinc/33/79/55/1330337955.db2.gz GROHMOSQIKESIY-SFHVURJKSA-N 2 2 346.450 2.072 10 30 EEEELP C[NH+](C)CCC(=O)N1CCC[C@H]([N@@H+](C)Cc2cc(F)ccc2C#N)C1 ZINC001491946655 1330337958 /nfs/dbraw/zinc/33/79/58/1330337958.db2.gz GROHMOSQIKESIY-SFHVURJKSA-N 2 2 346.450 2.072 10 30 EEEELP C#CCC[N@H+]1CCC[C@@H]1CCCNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001492154577 1331017674 /nfs/dbraw/zinc/01/76/74/1331017674.db2.gz PHQJGACWTAWGGT-SFHVURJKSA-N 2 2 342.487 2.146 10 30 EEEELP C#CCC[N@@H+]1CCC[C@@H]1CCCNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001492154577 1331017680 /nfs/dbraw/zinc/01/76/80/1331017680.db2.gz PHQJGACWTAWGGT-SFHVURJKSA-N 2 2 342.487 2.146 10 30 EEEELP C=C(Cl)C[N@@H+](CCCNC(=O)[C@H]1CCn2c[nH+]cc2C1)C(C)C ZINC001317694629 1332376597 /nfs/dbraw/zinc/37/65/97/1332376597.db2.gz STSHETKKMVYPEH-HNNXBMFYSA-N 2 2 338.883 2.415 10 30 EEEELP C=C(Cl)C[N@H+](CCCNC(=O)[C@H]1CCn2c[nH+]cc2C1)C(C)C ZINC001317694629 1332376602 /nfs/dbraw/zinc/37/66/02/1332376602.db2.gz STSHETKKMVYPEH-HNNXBMFYSA-N 2 2 338.883 2.415 10 30 EEEELP C=CCCC[N@H+]1CC[C@H](N(CC)C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001318482279 1332548609 /nfs/dbraw/zinc/54/86/09/1332548609.db2.gz GQCVEIXMKBBALS-GVDBMIGSSA-N 2 2 330.476 2.413 10 30 EEEELP C=CCCC[N@@H+]1CC[C@H](N(CC)C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001318482279 1332548610 /nfs/dbraw/zinc/54/86/10/1332548610.db2.gz GQCVEIXMKBBALS-GVDBMIGSSA-N 2 2 330.476 2.413 10 30 EEEELP C#CCN(C(=O)C[C@@H](C)n1cc[nH+]c1)C1CC[NH+](CC2CC2)CC1 ZINC001324426412 1333679961 /nfs/dbraw/zinc/67/99/61/1333679961.db2.gz IXAVVRSKAAGQEV-MRXNPFEDSA-N 2 2 328.460 2.170 10 30 EEEELP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH+]ccc2OC)C[C@@H]1C ZINC001325530217 1333904919 /nfs/dbraw/zinc/90/49/19/1333904919.db2.gz ICNWGRDAMAWGQE-DOTOQJQBSA-N 2 2 331.460 2.283 10 30 EEEELP C=CCC[NH2+]CC1(NC(=O)[C@H]2CCn3cc[nH+]c3C2)CCCCC1 ZINC001329830206 1334723676 /nfs/dbraw/zinc/72/36/76/1334723676.db2.gz XNSLSISLQWXWJF-INIZCTEOSA-N 2 2 330.476 2.430 10 30 EEEELP C=C(Br)C[NH2+]CCN(CC)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001668570068 1355964700 /nfs/dbraw/zinc/96/47/00/1355964700.db2.gz LZNDZNDKCKOWIE-CYBMUJFWSA-N 2 2 343.269 2.181 10 30 EEEELP C[C@@H](CNC(=O)Cn1cc[nH+]c1)[N@H+](C)CC#Cc1cccc(Cl)c1 ZINC001675053312 1356930221 /nfs/dbraw/zinc/93/02/21/1356930221.db2.gz APWXVLJBFFSQNE-HNNXBMFYSA-N 2 2 344.846 2.025 10 30 EEEELP C[C@@H](CNC(=O)Cn1cc[nH+]c1)[N@@H+](C)CC#Cc1cccc(Cl)c1 ZINC001675053312 1356930223 /nfs/dbraw/zinc/93/02/23/1356930223.db2.gz APWXVLJBFFSQNE-HNNXBMFYSA-N 2 2 344.846 2.025 10 30 EEEELP C=CCCC[NH+]1CC[C@@](C)(NC(=O)c2cc([C@@H]3CCC[N@H+]3C)n[nH]2)C1 ZINC001569639351 1342914598 /nfs/dbraw/zinc/91/45/98/1342914598.db2.gz SBSPZEXCVRVDIS-PKOBYXMFSA-N 2 2 345.491 2.337 10 30 EEEELP C=CCCC[NH+]1CC[C@@](C)(NC(=O)c2cc([C@@H]3CCC[N@@H+]3C)n[nH]2)C1 ZINC001569639351 1342914602 /nfs/dbraw/zinc/91/46/02/1342914602.db2.gz SBSPZEXCVRVDIS-PKOBYXMFSA-N 2 2 345.491 2.337 10 30 EEEELP C=CCCC[N@H+]1CC[C@@](C)(NC(=O)c2cc([C@@H]3CCC[NH+]3C)n[nH]2)C1 ZINC001569639351 1342914606 /nfs/dbraw/zinc/91/46/06/1342914606.db2.gz SBSPZEXCVRVDIS-PKOBYXMFSA-N 2 2 345.491 2.337 10 30 EEEELP C=CCCC[N@@H+]1CC[C@@](C)(NC(=O)c2cc([C@@H]3CCC[NH+]3C)n[nH]2)C1 ZINC001569639351 1342914609 /nfs/dbraw/zinc/91/46/09/1342914609.db2.gz SBSPZEXCVRVDIS-PKOBYXMFSA-N 2 2 345.491 2.337 10 30 EEEELP C=CCC[NH2+]C[C@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@@H]1C(F)(F)F ZINC001677048041 1357269470 /nfs/dbraw/zinc/26/94/70/1357269470.db2.gz LQHKGBUJYOLEBX-JSGCOSHPSA-N 2 2 344.381 2.145 10 30 EEEELP C=CCC[NH2+]C[C@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@@H]1C(F)(F)F ZINC001677048041 1357269473 /nfs/dbraw/zinc/26/94/73/1357269473.db2.gz LQHKGBUJYOLEBX-JSGCOSHPSA-N 2 2 344.381 2.145 10 30 EEEELP C#CC[N@H+]1CCC[C@H]1CCCNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001663092933 1354911587 /nfs/dbraw/zinc/91/15/87/1354911587.db2.gz HJRGIZRUQBYZMA-GOSISDBHSA-N 2 2 336.439 2.480 10 30 EEEELP C#CC[N@@H+]1CCC[C@H]1CCCNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001663092933 1354911591 /nfs/dbraw/zinc/91/15/91/1354911591.db2.gz HJRGIZRUQBYZMA-GOSISDBHSA-N 2 2 336.439 2.480 10 30 EEEELP C=CC[N@H+]1CC[C@H](N(CCC)C(=O)c2cc([C@@H]3CCC[NH+]3C)[nH]n2)C1 ZINC001664667636 1355206132 /nfs/dbraw/zinc/20/61/32/1355206132.db2.gz OQVZZLHNZBDHNO-YJBOKZPZSA-N 2 2 345.491 2.289 10 30 EEEELP C=CC[N@@H+]1CC[C@H](N(CCC)C(=O)c2cc([C@@H]3CCC[NH+]3C)[nH]n2)C1 ZINC001664667636 1355206136 /nfs/dbraw/zinc/20/61/36/1355206136.db2.gz OQVZZLHNZBDHNO-YJBOKZPZSA-N 2 2 345.491 2.289 10 30 EEEELP C=CC[NH+]1CC[C@H](N(CCC)C(=O)c2cc([C@@H]3CCC[N@@H+]3C)[nH]n2)C1 ZINC001664667636 1355206141 /nfs/dbraw/zinc/20/61/41/1355206141.db2.gz OQVZZLHNZBDHNO-YJBOKZPZSA-N 2 2 345.491 2.289 10 30 EEEELP C=CC[NH+]1CC[C@H](N(CCC)C(=O)c2cc([C@@H]3CCC[N@H+]3C)[nH]n2)C1 ZINC001664667636 1355206144 /nfs/dbraw/zinc/20/61/44/1355206144.db2.gz OQVZZLHNZBDHNO-YJBOKZPZSA-N 2 2 345.491 2.289 10 30 EEEELP C#CCC[N@H+]1CCC[C@@](C)(CNC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001671887565 1356431358 /nfs/dbraw/zinc/43/13/58/1356431358.db2.gz RHTVNOHNQBOZSB-FQEVSTJZSA-N 2 2 338.455 2.498 10 30 EEEELP C#CCC[N@@H+]1CCC[C@@](C)(CNC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001671887565 1356431363 /nfs/dbraw/zinc/43/13/63/1356431363.db2.gz RHTVNOHNQBOZSB-FQEVSTJZSA-N 2 2 338.455 2.498 10 30 EEEELP C=C(C)CC[N@@H+]1CCO[C@H](CNC(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001698788854 1405060093 /nfs/dbraw/zinc/06/00/93/1405060093.db2.gz RTBZJYSMOOXAJC-IAGOWNOFSA-N 2 2 348.491 2.180 10 30 EEEELP C=C(C)CC[N@H+]1CCO[C@H](CNC(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001698788854 1405060103 /nfs/dbraw/zinc/06/01/03/1405060103.db2.gz RTBZJYSMOOXAJC-IAGOWNOFSA-N 2 2 348.491 2.180 10 30 EEEELP C=CCC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)CCc2[nH+]ccn2C)C1 ZINC001699886259 1405552975 /nfs/dbraw/zinc/55/29/75/1405552975.db2.gz DOEOYRKXDUWONB-AWEZNQCLSA-N 2 2 340.418 2.002 10 30 EEEELP C=CCC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)CCc2[nH+]ccn2C)C1 ZINC001699886259 1405552981 /nfs/dbraw/zinc/55/29/81/1405552981.db2.gz DOEOYRKXDUWONB-AWEZNQCLSA-N 2 2 340.418 2.002 10 30 EEEELP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)C(C)(C)C1 ZINC000940850960 779432786 /nfs/dbraw/zinc/43/27/86/779432786.db2.gz QYAMWSSKHBLSPQ-JKSUJKDBSA-N 2 2 330.476 2.238 10 30 EEEELP C=C(C)C[N@H+]1CC[C@@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)C(C)(C)C1 ZINC000940850960 779432789 /nfs/dbraw/zinc/43/27/89/779432789.db2.gz QYAMWSSKHBLSPQ-JKSUJKDBSA-N 2 2 330.476 2.238 10 30 EEEELP C[C@H](C[N@H+](C)Cc1cccc(C#N)c1)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001445814378 1091691371 /nfs/dbraw/zinc/69/13/71/1091691371.db2.gz MEBOBTVLHRDYIS-CVEARBPZSA-N 2 2 339.443 2.343 10 30 EEEELP C[C@H](C[N@@H+](C)Cc1cccc(C#N)c1)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001445814378 1091691378 /nfs/dbraw/zinc/69/13/78/1091691378.db2.gz MEBOBTVLHRDYIS-CVEARBPZSA-N 2 2 339.443 2.343 10 30 EEEELP C=C(Cl)C[NH2+]C[C@H](NC(=O)[C@H]1CCn2cc[nH+]c2C1)C(C)(C)C ZINC001449308873 1094262540 /nfs/dbraw/zinc/26/25/40/1094262540.db2.gz MPJNOOSQHGLKHT-KBPBESRZSA-N 2 2 338.883 2.319 10 30 EEEELP CC[C@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)[NH2+]Cc1ccc(C#N)cc1 ZINC001443944057 1098463881 /nfs/dbraw/zinc/46/38/81/1098463881.db2.gz XEHXVVAFKIZPCK-BRWVUGGUSA-N 2 2 337.427 2.069 10 30 EEEELP CC[C@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)[NH2+]Cc1ccc(C#N)cc1 ZINC001443944057 1098463898 /nfs/dbraw/zinc/46/38/98/1098463898.db2.gz XEHXVVAFKIZPCK-BRWVUGGUSA-N 2 2 337.427 2.069 10 30 EEEELP C=CCC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2COCC[NH+]2C2CCCC2)C1 ZINC001480732894 1106999814 /nfs/dbraw/zinc/99/98/14/1106999814.db2.gz HOTLADKQFYHGMB-MOPGFXCFSA-N 2 2 349.519 2.129 10 30 EEEELP C=CCC[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2COCC[NH+]2C2CCCC2)C1 ZINC001480732894 1106999816 /nfs/dbraw/zinc/99/98/16/1106999816.db2.gz HOTLADKQFYHGMB-MOPGFXCFSA-N 2 2 349.519 2.129 10 30 EEEELP C=CCC[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC001480732894 1106999820 /nfs/dbraw/zinc/99/98/20/1106999820.db2.gz HOTLADKQFYHGMB-MOPGFXCFSA-N 2 2 349.519 2.129 10 30 EEEELP C=CCC[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]2COCC[N@H+]2C2CCCC2)C1 ZINC001480732894 1106999825 /nfs/dbraw/zinc/99/98/25/1106999825.db2.gz HOTLADKQFYHGMB-MOPGFXCFSA-N 2 2 349.519 2.129 10 30 EEEELP C=CCCC[N@H+]1CCC[C@](CO)(NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001501331301 1113302949 /nfs/dbraw/zinc/30/29/49/1113302949.db2.gz HQRMWBHPOBWTAB-IBGZPJMESA-N 2 2 342.443 2.086 10 30 EEEELP C=CCCC[N@@H+]1CCC[C@](CO)(NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001501331301 1113302952 /nfs/dbraw/zinc/30/29/52/1113302952.db2.gz HQRMWBHPOBWTAB-IBGZPJMESA-N 2 2 342.443 2.086 10 30 EEEELP CC#CC[NH2+]C[C@@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C1CCCCC1 ZINC001568347320 1124430456 /nfs/dbraw/zinc/43/04/56/1124430456.db2.gz ZLTREXJONQSGGC-KZNAEPCWSA-N 2 2 342.487 2.202 10 30 EEEELP C=C(C)C[NH2+]CC[C@H]1CCCCN1C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001568387602 1124458382 /nfs/dbraw/zinc/45/83/82/1124458382.db2.gz ZRKQCKMLVDUYRM-IAGOWNOFSA-N 2 2 330.476 2.382 10 30 EEEELP C[C@H](CC[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)[S@@](C)=O ZINC000344298912 161215427 /nfs/dbraw/zinc/21/54/27/161215427.db2.gz DOMAQGLXXLRMIX-IQMFZBJNSA-N 2 2 333.501 2.269 10 30 EEEELP CNc1cc(N2CCC[C@@H]2C[NH2+]Cc2cc(C#N)cs2)nc[nH+]1 ZINC000177697474 463768182 /nfs/dbraw/zinc/76/81/82/463768182.db2.gz YTPHHQQINWCSAY-CYBMUJFWSA-N 2 2 328.445 2.210 10 30 EEEELP C[C@@H]([NH2+]CCC(=O)N(C)CCC#N)c1cccc(-n2cc[nH+]c2)c1 ZINC000189886448 464561327 /nfs/dbraw/zinc/56/13/27/464561327.db2.gz GUAIPXSDUJINTP-OAHLLOKOSA-N 2 2 325.416 2.285 10 30 EEEELP C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000249865111 464920014 /nfs/dbraw/zinc/92/00/14/464920014.db2.gz HTAIYYUDIKBBMD-SJORKVTESA-N 2 2 328.460 2.405 10 30 EEEELP C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000249865111 464920021 /nfs/dbraw/zinc/92/00/21/464920021.db2.gz HTAIYYUDIKBBMD-SJORKVTESA-N 2 2 328.460 2.405 10 30 EEEELP CC(C)[NH2+]C1CCN(C(=O)NCc2[nH+]ccn2CC(F)(F)F)CC1 ZINC000330744766 465787511 /nfs/dbraw/zinc/78/75/11/465787511.db2.gz SEJAJTHVAQBVSD-UHFFFAOYSA-N 2 2 347.385 2.322 10 30 EEEELP CN(C)c1[nH+]cccc1CNC(=O)NC[C@H]1[N@H+](C)CCCC1(C)C ZINC000331332066 466035537 /nfs/dbraw/zinc/03/55/37/466035537.db2.gz SABQEFSVJVQTJD-OAHLLOKOSA-N 2 2 333.480 2.272 10 30 EEEELP CN(C)c1[nH+]cccc1CNC(=O)NC[C@H]1[N@@H+](C)CCCC1(C)C ZINC000331332066 466035544 /nfs/dbraw/zinc/03/55/44/466035544.db2.gz SABQEFSVJVQTJD-OAHLLOKOSA-N 2 2 333.480 2.272 10 30 EEEELP C=CC[C@@H]1CC[N@H+](CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000625703950 470170362 /nfs/dbraw/zinc/17/03/62/470170362.db2.gz QCVQBNMERBGGHI-QGZVFWFLSA-N 2 2 343.471 2.355 10 30 EEEELP C=CC[C@@H]1CC[N@@H+](CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000625703950 470170363 /nfs/dbraw/zinc/17/03/63/470170363.db2.gz QCVQBNMERBGGHI-QGZVFWFLSA-N 2 2 343.471 2.355 10 30 EEEELP C=CC[C@@H]1CCCC[C@@H]1NC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000664537557 471786530 /nfs/dbraw/zinc/78/65/30/471786530.db2.gz OPWCZQZGRNCYRR-AEFFLSMTSA-N 2 2 336.524 2.447 10 30 EEEELP C=C(CC[NH+](C)C)C(=O)N1CC[NH+](Cc2cc(C)ccc2OC)CC1 ZINC000899987228 693954709 /nfs/dbraw/zinc/95/47/09/693954709.db2.gz PGNVBPBRRUWOSO-UHFFFAOYSA-N 2 2 345.487 2.156 10 30 EEEELP CC[C@H]([NH2+]C[C@@H](C)N1CC[NH+](CC)CC1)c1cccc(C#N)c1O ZINC000924674180 693138091 /nfs/dbraw/zinc/13/80/91/693138091.db2.gz YHTZWEUIOSOSML-QAPCUYQASA-N 2 2 330.476 2.331 10 30 EEEELP CC[C@@H](C(=O)N[C@@H]1CC[N@H+](CC#Cc2cccc(Cl)c2)C1)[NH+](C)C ZINC001266341178 1176336936 /nfs/dbraw/zinc/33/69/36/1176336936.db2.gz BIUFLJJZLJEVKS-MSOLQXFVSA-N 2 2 347.890 2.222 10 30 EEEELP CC[C@@H](C(=O)N[C@@H]1CC[N@@H+](CC#Cc2cccc(Cl)c2)C1)[NH+](C)C ZINC001266341178 1176336948 /nfs/dbraw/zinc/33/69/48/1176336948.db2.gz BIUFLJJZLJEVKS-MSOLQXFVSA-N 2 2 347.890 2.222 10 30 EEEELP C=C(C)C[N@H+](C)C[C@H]1CCCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001266460182 1176576198 /nfs/dbraw/zinc/57/61/98/1176576198.db2.gz XIQAGHLLNKMXIB-SJORKVTESA-N 2 2 330.476 2.192 10 30 EEEELP C=C(C)C[N@@H+](C)C[C@H]1CCCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001266460182 1176576207 /nfs/dbraw/zinc/57/62/07/1176576207.db2.gz XIQAGHLLNKMXIB-SJORKVTESA-N 2 2 330.476 2.192 10 30 EEEELP C=CCC[C@H](C)[NH2+]C1(CNC(=O)c2cc([C@@H]3CCC[N@@H+]3C)n[nH]2)CC1 ZINC001269416007 1184251787 /nfs/dbraw/zinc/25/17/87/1184251787.db2.gz NWVNOZRRQGRTCP-YOEHRIQHSA-N 2 2 345.491 2.383 10 30 EEEELP C=CCC[C@H](C)[NH2+]C1(CNC(=O)c2cc([C@@H]3CCC[N@H+]3C)n[nH]2)CC1 ZINC001269416007 1184251794 /nfs/dbraw/zinc/25/17/94/1184251794.db2.gz NWVNOZRRQGRTCP-YOEHRIQHSA-N 2 2 345.491 2.383 10 30 EEEELP C#CCC[NH2+][C@@H](C)c1ccc(CNC(=O)CCc2c[nH+]cn2C)cc1 ZINC001484561663 1191416686 /nfs/dbraw/zinc/41/66/86/1191416686.db2.gz DEGHBMZRLUXPIH-INIZCTEOSA-N 2 2 338.455 2.343 10 30 EEEELP C=C(C)CC[NH2+]C1(C)CCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC001484919500 1191575231 /nfs/dbraw/zinc/57/52/31/1191575231.db2.gz DQUDOFZCGFRXIM-INIZCTEOSA-N 2 2 330.476 2.382 10 30 EEEELP C=C(C)CC[NH+](C)[C@@H](C)CNC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC001485342302 1191746815 /nfs/dbraw/zinc/74/68/15/1191746815.db2.gz QOWOXPHSLJOONW-FUHWJXTLSA-N 2 2 337.508 2.033 10 30 EEEELP C=C(C)CC[NH+](C)[C@@H](C)CNC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC001485342302 1191746816 /nfs/dbraw/zinc/74/68/16/1191746816.db2.gz QOWOXPHSLJOONW-FUHWJXTLSA-N 2 2 337.508 2.033 10 30 EEEELP C=C(C)CC[N@@H+](C)[C@@H](C)CNC(=O)[C@H]1COCC[NH+]1C1CCCC1 ZINC001485342302 1191746817 /nfs/dbraw/zinc/74/68/17/1191746817.db2.gz QOWOXPHSLJOONW-FUHWJXTLSA-N 2 2 337.508 2.033 10 30 EEEELP C=C(C)CC[N@H+](C)[C@@H](C)CNC(=O)[C@H]1COCC[NH+]1C1CCCC1 ZINC001485342302 1191746818 /nfs/dbraw/zinc/74/68/18/1191746818.db2.gz QOWOXPHSLJOONW-FUHWJXTLSA-N 2 2 337.508 2.033 10 30 EEEELP C=C(C)C[NH2+]CC1(NC(=O)[C@@H]2CCn3cc[nH+]c3C2)CCCCC1 ZINC001485452533 1191790535 /nfs/dbraw/zinc/79/05/35/1191790535.db2.gz GKVWSSRFBOCQPN-MRXNPFEDSA-N 2 2 330.476 2.430 10 30 EEEELP CCN1CC[NH+](CCCC[NH2+][C@@H](C)c2cccc(C#N)c2O)CC1 ZINC000866232540 1201472210 /nfs/dbraw/zinc/47/22/10/1201472210.db2.gz NCKHNRBBBBJZFF-INIZCTEOSA-N 2 2 330.476 2.332 10 30 EEEELP C#CCOc1ccccc1C[NH+]1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000093147773 1214777677 /nfs/dbraw/zinc/77/76/77/1214777677.db2.gz GXIMDLANTYDFFM-HXUWFJFHSA-N 2 2 341.499 2.301 10 30 EEEELP C#CCOc1ccccc1C[NH+]1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000093147773 1214777685 /nfs/dbraw/zinc/77/76/85/1214777685.db2.gz GXIMDLANTYDFFM-HXUWFJFHSA-N 2 2 341.499 2.301 10 30 EEEELP C#CC[NH+]1CCC([NH2+]C[C@H](O)COc2cc(C)ccc2Cl)CC1 ZINC001120589397 1309629195 /nfs/dbraw/zinc/62/91/95/1309629195.db2.gz ODWNEWCSLSSPLJ-INIZCTEOSA-N 2 2 336.863 2.075 10 30 EEEELP C=CCC[N@H+]1CCC[C@](C)(CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001278667643 1317607953 /nfs/dbraw/zinc/60/79/53/1317607953.db2.gz HFOWHVJVZRCVPH-VQIMIIECSA-N 2 2 330.476 2.240 10 30 EEEELP C=CCC[N@@H+]1CCC[C@](C)(CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001278667643 1317607958 /nfs/dbraw/zinc/60/79/58/1317607958.db2.gz HFOWHVJVZRCVPH-VQIMIIECSA-N 2 2 330.476 2.240 10 30 EEEELP C#CC[NH+]1CCC([NH2+]C[C@H](O)c2cccc(Br)c2)CC1 ZINC001262557620 1322322550 /nfs/dbraw/zinc/32/25/50/1322322550.db2.gz HLOWLKPAZWIYHE-INIZCTEOSA-N 2 2 337.261 2.170 10 30 EEEELP C#CCC[NH2+][C@@H]1CCCCCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001264118474 1322631632 /nfs/dbraw/zinc/63/16/32/1322631632.db2.gz HDPBVRMQCGCTJM-QGZVFWFLSA-N 2 2 330.476 2.311 10 30 EEEELP C=CCCC[N@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)[C@H]1CC ZINC001264618831 1322752359 /nfs/dbraw/zinc/75/23/59/1322752359.db2.gz VMRDGFDLKBNHLE-WCXIOVBPSA-N 2 2 330.476 2.459 10 30 EEEELP C=CCCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)[C@H]1CC ZINC001264618831 1322752363 /nfs/dbraw/zinc/75/23/63/1322752363.db2.gz VMRDGFDLKBNHLE-WCXIOVBPSA-N 2 2 330.476 2.459 10 30 EEEELP C#CCC[NH+]1CCC2(C[C@H](C)N(C(=O)CCCn3cc[nH+]c3)C2)CC1 ZINC001316668956 1330259351 /nfs/dbraw/zinc/25/93/51/1330259351.db2.gz KQROOVNSGFUMEW-SFHVURJKSA-N 2 2 342.487 2.390 10 30 EEEELP C=CCCCCC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001317115295 1332085552 /nfs/dbraw/zinc/08/55/52/1332085552.db2.gz OCPUXDQREDKFFY-YESZJQIVSA-N 2 2 330.476 2.429 10 30 EEEELP C=C(C)C[NH2+]C1(CNC(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)CCCC1 ZINC001319373405 1332691944 /nfs/dbraw/zinc/69/19/44/1332691944.db2.gz YJROHXDKNVOHAH-SFHVURJKSA-N 2 2 349.519 2.225 10 30 EEEELP C=C(C)C[NH2+]C1(CNC(=O)[C@@H]2COCC[N@H+]2C2CCCC2)CCCC1 ZINC001319373405 1332691947 /nfs/dbraw/zinc/69/19/47/1332691947.db2.gz YJROHXDKNVOHAH-SFHVURJKSA-N 2 2 349.519 2.225 10 30 EEEELP C=CCC[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC001324774924 1333757227 /nfs/dbraw/zinc/75/72/27/1333757227.db2.gz FERDEJDZEPCVBV-AZUAARDMSA-N 2 2 349.519 2.034 10 30 EEEELP C=CCC[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H]2COCC[N@H+]2C2CCCC2)C1 ZINC001324774924 1333757229 /nfs/dbraw/zinc/75/72/29/1333757229.db2.gz FERDEJDZEPCVBV-AZUAARDMSA-N 2 2 349.519 2.034 10 30 EEEELP C#CCC[N@@H+](CC)CC1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1 ZINC001328588933 1334484802 /nfs/dbraw/zinc/48/48/02/1334484802.db2.gz QLCYSTMLDWBTPY-UHFFFAOYSA-N 2 2 330.476 2.271 10 30 EEEELP C#CCC[N@H+](CC)CC1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1 ZINC001328588933 1334484804 /nfs/dbraw/zinc/48/48/04/1334484804.db2.gz QLCYSTMLDWBTPY-UHFFFAOYSA-N 2 2 330.476 2.271 10 30 EEEELP C=C(C)C[NH2+][C@@H](CCN(C)C(=O)[C@@H]1CCc2[nH+]ccn2C1)C(C)C ZINC001329742014 1334706532 /nfs/dbraw/zinc/70/65/32/1334706532.db2.gz KZKAJFBZTBKACJ-SJORKVTESA-N 2 2 332.492 2.484 10 30 EEEELP C=CCCCCC[N@@H+]1CCO[C@@]2(CCN(C(=O)Cc3c[nH+]c[nH]3)C2)C1 ZINC001330161114 1334789714 /nfs/dbraw/zinc/78/97/14/1334789714.db2.gz SZVOCVBQPZSKAE-IBGZPJMESA-N 2 2 346.475 2.002 10 30 EEEELP C=CCCCCC[N@H+]1CCO[C@@]2(CCN(C(=O)Cc3c[nH+]c[nH]3)C2)C1 ZINC001330161114 1334789716 /nfs/dbraw/zinc/78/97/16/1334789716.db2.gz SZVOCVBQPZSKAE-IBGZPJMESA-N 2 2 346.475 2.002 10 30 EEEELP C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1(C)C ZINC001332423421 1335821853 /nfs/dbraw/zinc/82/18/53/1335821853.db2.gz OFGADBWWPVHUBE-BFYDXBDKSA-N 2 2 330.476 2.316 10 30 EEEELP C#CC[NH+]1CCC([NH2+]C[C@@H](O)CO[C@@H]2CCCc3ccccc32)CC1 ZINC001353321952 1338237248 /nfs/dbraw/zinc/23/72/48/1338237248.db2.gz CENFVDUBFBPPAB-TZIWHRDSSA-N 2 2 342.483 2.129 10 30 EEEELP C=CCCC[NH+]1CC[C@@](C)(NC(=O)c2cc([C@H]3CCC[N@H+]3C)n[nH]2)C1 ZINC001569639349 1342914302 /nfs/dbraw/zinc/91/43/02/1342914302.db2.gz SBSPZEXCVRVDIS-IEBWSBKVSA-N 2 2 345.491 2.337 10 30 EEEELP C=CCCC[NH+]1CC[C@@](C)(NC(=O)c2cc([C@H]3CCC[N@@H+]3C)n[nH]2)C1 ZINC001569639349 1342914304 /nfs/dbraw/zinc/91/43/04/1342914304.db2.gz SBSPZEXCVRVDIS-IEBWSBKVSA-N 2 2 345.491 2.337 10 30 EEEELP C=CCCC[N@H+]1CC[C@@](C)(NC(=O)c2cc([C@H]3CCC[NH+]3C)n[nH]2)C1 ZINC001569639349 1342914305 /nfs/dbraw/zinc/91/43/05/1342914305.db2.gz SBSPZEXCVRVDIS-IEBWSBKVSA-N 2 2 345.491 2.337 10 30 EEEELP C=CCCC[N@@H+]1CC[C@@](C)(NC(=O)c2cc([C@H]3CCC[NH+]3C)n[nH]2)C1 ZINC001569639349 1342914306 /nfs/dbraw/zinc/91/43/06/1342914306.db2.gz SBSPZEXCVRVDIS-IEBWSBKVSA-N 2 2 345.491 2.337 10 30 EEEELP C=C(C)C[N@H+]1CCc2c(CNC(=O)Cc3c[nH+]cn3C)cccc2C1 ZINC001570078896 1343010201 /nfs/dbraw/zinc/01/02/01/1343010201.db2.gz FEUOBLYAMOKENU-UHFFFAOYSA-N 2 2 338.455 2.213 10 30 EEEELP C=C(C)C[N@@H+]1CCc2c(CNC(=O)Cc3c[nH+]cn3C)cccc2C1 ZINC001570078896 1343010203 /nfs/dbraw/zinc/01/02/03/1343010203.db2.gz FEUOBLYAMOKENU-UHFFFAOYSA-N 2 2 338.455 2.213 10 30 EEEELP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+]1CC/C=C/CCC ZINC001663502835 1354974222 /nfs/dbraw/zinc/97/42/22/1354974222.db2.gz ITXXLEZSJCMSBK-FNYRVFDFSA-N 2 2 331.504 2.411 10 30 EEEELP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+]1CC/C=C/CCC ZINC001663502835 1354974224 /nfs/dbraw/zinc/97/42/24/1354974224.db2.gz ITXXLEZSJCMSBK-FNYRVFDFSA-N 2 2 331.504 2.411 10 30 EEEELP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[NH+]1CC/C=C/CCC ZINC001663502835 1354974227 /nfs/dbraw/zinc/97/42/27/1354974227.db2.gz ITXXLEZSJCMSBK-FNYRVFDFSA-N 2 2 331.504 2.411 10 30 EEEELP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[NH+]1CC/C=C/CCC ZINC001663502835 1354974231 /nfs/dbraw/zinc/97/42/31/1354974231.db2.gz ITXXLEZSJCMSBK-FNYRVFDFSA-N 2 2 331.504 2.411 10 30 EEEELP C=CCCC[NH2+]C[C@@]1(C)CCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001671753498 1356408495 /nfs/dbraw/zinc/40/84/95/1356408495.db2.gz QLSGFHBJLHGPIF-QFBILLFUSA-N 2 2 330.476 2.240 10 30 EEEELP CC#CC[NH2+]CC[C@@H]1CCN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001672809434 1356588899 /nfs/dbraw/zinc/58/88/99/1356588899.db2.gz BUFJXIMJVZDAIF-MSOLQXFVSA-N 2 2 330.476 2.322 10 30 EEEELP C=CCC[C@H](C)[N@H+]1C[C@@H]2[C@@H](CNC(=O)CCc3c[nH+]cn3C)[C@@H]2C1 ZINC001675558890 1357005500 /nfs/dbraw/zinc/00/55/00/1357005500.db2.gz LXGUPDONMBQSDV-LEUOFYLZSA-N 2 2 330.476 2.001 10 30 EEEELP C=CCC[C@H](C)[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CCc3c[nH+]cn3C)[C@@H]2C1 ZINC001675558890 1357005504 /nfs/dbraw/zinc/00/55/04/1357005504.db2.gz LXGUPDONMBQSDV-LEUOFYLZSA-N 2 2 330.476 2.001 10 30 EEEELP C=C(C)C[N@@H+]1CCC[C@@](C)(CNC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001699869928 1405535425 /nfs/dbraw/zinc/53/54/25/1405535425.db2.gz VXIQLQUKYXHNCF-APWZRJJASA-N 2 2 330.476 2.240 10 30 EEEELP C=C(C)C[N@H+]1CCC[C@@](C)(CNC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001699869928 1405535431 /nfs/dbraw/zinc/53/54/31/1405535431.db2.gz VXIQLQUKYXHNCF-APWZRJJASA-N 2 2 330.476 2.240 10 30 EEEELP C[C@H](CN(C)C(=O)C(C)(C)c1c[nH+]c[nH]1)[NH2+]Cc1ccccc1C#N ZINC001448774671 1093853147 /nfs/dbraw/zinc/85/31/47/1093853147.db2.gz QLGVURNSTSECSX-CQSZACIVSA-N 2 2 339.443 2.196 10 30 EEEELP C=C(C[NH+](C)C)C(=O)N1CC[NH+]([C@@H](C)c2cccc(OC)c2)CC1 ZINC001443724580 1098226202 /nfs/dbraw/zinc/22/62/02/1098226202.db2.gz BYCILYJFNNWTMP-INIZCTEOSA-N 2 2 331.460 2.018 10 30 EEEELP C=C(Cl)C[NH2+]CC1CC(NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001447795023 1103354281 /nfs/dbraw/zinc/35/42/81/1103354281.db2.gz SCZXZBMYGLNTDA-UHFFFAOYSA-N 2 2 332.835 2.493 10 30 EEEELP C=CCOCC[NH2+][C@@H]1CCC[C@H](NC(=O)c2cccc3[nH+]ccn32)C1 ZINC001480702303 1106915925 /nfs/dbraw/zinc/91/59/25/1106915925.db2.gz LHOFRWCGQKVUCJ-CVEARBPZSA-N 2 2 342.443 2.168 10 30 EEEELP C#CCN(C(=O)Cc1c[nH+]cn1C)C1CC[NH+]([C@H](C)CCC=C)CC1 ZINC001500054888 1112594907 /nfs/dbraw/zinc/59/49/07/1112594907.db2.gz XEVKRDYKLRONSW-QGZVFWFLSA-N 2 2 342.487 2.244 10 30 EEEELP C=CCCC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)CCn3cc[nH+]c3)C[C@H]21 ZINC001507364357 1115224793 /nfs/dbraw/zinc/22/47/93/1115224793.db2.gz XUMGMDUOGJUBCH-KZNAEPCWSA-N 2 2 330.476 2.456 10 30 EEEELP C[NH+]1CCC(CNC(=O)c2ccc(C#N)cc2)([NH+]2CCCCC2)CC1 ZINC000172752673 152114806 /nfs/dbraw/zinc/11/48/06/152114806.db2.gz DDVSQRCAWAGEPV-UHFFFAOYSA-N 2 2 340.471 2.238 10 30 EEEELP C=CC[NH+]=C(NCCc1cn2c([nH+]1)CCCC2)NCc1ccccn1 ZINC000075583219 462734479 /nfs/dbraw/zinc/73/44/79/462734479.db2.gz MPUPKYWXQJCBBZ-UHFFFAOYSA-N 2 2 338.459 2.078 10 30 EEEELP N#Cc1ccc(C[NH+]2CCC([NH2+]CC[C@H](O)C(F)(F)F)CC2)cc1 ZINC000349320836 466064789 /nfs/dbraw/zinc/06/47/89/466064789.db2.gz VZCRXSDQVAPCAF-INIZCTEOSA-N 2 2 341.377 2.426 10 30 EEEELP COc1c[nH+]ccc1N1CC[NH+](Cc2cc(C#N)ccc2F)CC1 ZINC000361529781 466079375 /nfs/dbraw/zinc/07/93/75/466079375.db2.gz GLXVIQJXVXZOCT-UHFFFAOYSA-N 2 2 326.375 2.423 10 30 EEEELP C#CC[NH+]1CCN(C(=O)C[NH2+][C@H](c2ccc(Cl)cc2)C2CC2)CC1 ZINC000748816235 577967355 /nfs/dbraw/zinc/96/73/55/577967355.db2.gz QPXHCNCPUFDXMW-IBGZPJMESA-N 2 2 345.874 2.158 10 30 EEEELP C=CCCCCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001266327180 1176305303 /nfs/dbraw/zinc/30/53/03/1176305303.db2.gz ALUFKHMDGAQYDZ-DLBZAZTESA-N 2 2 330.476 2.382 10 30 EEEELP C=CCCCCC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001266327180 1176305312 /nfs/dbraw/zinc/30/53/12/1176305312.db2.gz ALUFKHMDGAQYDZ-DLBZAZTESA-N 2 2 330.476 2.382 10 30 EEEELP C=C(C)C[N@H+](C)C[C@@H]1CCCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001266460206 1176574965 /nfs/dbraw/zinc/57/49/65/1176574965.db2.gz XNGCAELDBNEODP-IRXDYDNUSA-N 2 2 330.476 2.192 10 30 EEEELP C=C(C)C[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001266460206 1176574974 /nfs/dbraw/zinc/57/49/74/1176574974.db2.gz XNGCAELDBNEODP-IRXDYDNUSA-N 2 2 330.476 2.192 10 30 EEEELP C=CCCCCC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001670662377 1176978949 /nfs/dbraw/zinc/97/89/49/1176978949.db2.gz PMROEZOLPNEGTI-SJLPKXTDSA-N 2 2 330.476 2.382 10 30 EEEELP C=CCCCCC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001670662377 1176978956 /nfs/dbraw/zinc/97/89/56/1176978956.db2.gz PMROEZOLPNEGTI-SJLPKXTDSA-N 2 2 330.476 2.382 10 30 EEEELP CCC[N@H+](C)CCC(=O)N(C)C[C@@H]1CC[NH+]1CC#Cc1ccccc1 ZINC001691068123 1177508795 /nfs/dbraw/zinc/50/87/95/1177508795.db2.gz HRMBULNCAAZXQH-FQEVSTJZSA-N 2 2 341.499 2.303 10 30 EEEELP CCC[N@@H+](C)CCC(=O)N(C)C[C@@H]1CC[NH+]1CC#Cc1ccccc1 ZINC001691068123 1177508797 /nfs/dbraw/zinc/50/87/97/1177508797.db2.gz HRMBULNCAAZXQH-FQEVSTJZSA-N 2 2 341.499 2.303 10 30 EEEELP CCC[NH+](C)CCC(=O)N(C)C[C@@H]1CC[N@@H+]1CC#Cc1ccccc1 ZINC001691068123 1177508800 /nfs/dbraw/zinc/50/88/00/1177508800.db2.gz HRMBULNCAAZXQH-FQEVSTJZSA-N 2 2 341.499 2.303 10 30 EEEELP CCC[NH+](C)CCC(=O)N(C)C[C@@H]1CC[N@H+]1CC#Cc1ccccc1 ZINC001691068123 1177508803 /nfs/dbraw/zinc/50/88/03/1177508803.db2.gz HRMBULNCAAZXQH-FQEVSTJZSA-N 2 2 341.499 2.303 10 30 EEEELP C=C(C)CC[N@H+](CCNC(=O)[C@@H]1COCC[NH+]1C1CCCC1)C1CC1 ZINC001691221714 1177725726 /nfs/dbraw/zinc/72/57/26/1177725726.db2.gz RAKNYZBPUFNGNB-IBGZPJMESA-N 2 2 349.519 2.177 10 30 EEEELP C=C(C)CC[N@@H+](CCNC(=O)[C@@H]1COCC[NH+]1C1CCCC1)C1CC1 ZINC001691221714 1177725734 /nfs/dbraw/zinc/72/57/34/1177725734.db2.gz RAKNYZBPUFNGNB-IBGZPJMESA-N 2 2 349.519 2.177 10 30 EEEELP C=C(C)CC[NH+](CCNC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1)C1CC1 ZINC001691221714 1177725740 /nfs/dbraw/zinc/72/57/40/1177725740.db2.gz RAKNYZBPUFNGNB-IBGZPJMESA-N 2 2 349.519 2.177 10 30 EEEELP C=C(C)CC[NH+](CCNC(=O)[C@@H]1COCC[N@H+]1C1CCCC1)C1CC1 ZINC001691221714 1177725748 /nfs/dbraw/zinc/72/57/48/1177725748.db2.gz RAKNYZBPUFNGNB-IBGZPJMESA-N 2 2 349.519 2.177 10 30 EEEELP Cc1c[nH+]c2cc(C(=O)N(C)CC[NH2+]Cc3cccc(C#N)c3)ccn12 ZINC001267373072 1178885159 /nfs/dbraw/zinc/88/51/59/1178885159.db2.gz MAPGELMRFRZMFD-UHFFFAOYSA-N 2 2 347.422 2.376 10 30 EEEELP C=CC[N@@H+](C)C[C@H]1CCN(C(=O)Cc2cn3cccc(C)c3[nH+]2)C1 ZINC001267591556 1179578349 /nfs/dbraw/zinc/57/83/49/1179578349.db2.gz GFCABLOKYAIAHL-MRXNPFEDSA-N 2 2 326.444 2.152 10 30 EEEELP C=CC[N@H+](C)C[C@H]1CCN(C(=O)Cc2cn3cccc(C)c3[nH+]2)C1 ZINC001267591556 1179578353 /nfs/dbraw/zinc/57/83/53/1179578353.db2.gz GFCABLOKYAIAHL-MRXNPFEDSA-N 2 2 326.444 2.152 10 30 EEEELP C=C(C)C[NH2+][C@@H](C)C1CCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC001481334465 1181058232 /nfs/dbraw/zinc/05/82/32/1181058232.db2.gz LNXQLAMKCXESFD-RDJZCZTQSA-N 2 2 330.476 2.238 10 30 EEEELP C=C(C)C[NH2+][C@@H](C)C1CCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC001481334463 1181058493 /nfs/dbraw/zinc/05/84/93/1181058493.db2.gz LNXQLAMKCXESFD-DOTOQJQBSA-N 2 2 330.476 2.238 10 30 EEEELP CC[C@H](CNC(=O)[C@H](C)Cc1c[nH]c[nH+]1)[NH2+]Cc1ccc(C#N)cc1 ZINC001481858656 1182809914 /nfs/dbraw/zinc/80/99/14/1182809914.db2.gz ZBIYTUSSMSLLFF-RHSMWYFYSA-N 2 2 339.443 2.145 10 30 EEEELP CC[C@H](CNC(=O)[C@H](C)Cc1c[nH+]c[nH]1)[NH2+]Cc1ccc(C#N)cc1 ZINC001481858656 1182809924 /nfs/dbraw/zinc/80/99/24/1182809924.db2.gz ZBIYTUSSMSLLFF-RHSMWYFYSA-N 2 2 339.443 2.145 10 30 EEEELP C=C(C)CC[NH2+]C[C@@](C)(NC(=O)[C@@H]1CCc2c[nH+]cn2C1)C1CC1 ZINC001481933739 1182986067 /nfs/dbraw/zinc/98/60/67/1182986067.db2.gz OTIIGVWTQBSHJG-DNVCBOLYSA-N 2 2 330.476 2.286 10 30 EEEELP C#CCC[NH2+]CCC1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)CC1 ZINC001481998681 1183106772 /nfs/dbraw/zinc/10/67/72/1183106772.db2.gz GGIRWFBDGUWGIV-UHFFFAOYSA-N 2 2 338.455 2.498 10 30 EEEELP C=C(C)CC[NH2+]CC=CCNC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1 ZINC001268541556 1183211390 /nfs/dbraw/zinc/21/13/90/1183211390.db2.gz GZUHSOYGSGWPNE-LAQIPUCWSA-N 2 2 331.464 2.018 10 30 EEEELP C=C(C)CC[NH2+]CC=CCNC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1 ZINC001268541556 1183211396 /nfs/dbraw/zinc/21/13/96/1183211396.db2.gz GZUHSOYGSGWPNE-LAQIPUCWSA-N 2 2 331.464 2.018 10 30 EEEELP C=C(C)CC[N@@H+](C)C[C@@H](C)NC(=O)c1cc([C@@H]2CCC[NH+]2C)n[nH]1 ZINC001268730687 1183648043 /nfs/dbraw/zinc/64/80/43/1183648043.db2.gz JKPKPAOOCCXKQE-PBHICJAKSA-N 2 2 333.480 2.193 10 30 EEEELP C=C(C)CC[N@H+](C)C[C@@H](C)NC(=O)c1cc([C@@H]2CCC[NH+]2C)n[nH]1 ZINC001268730687 1183648048 /nfs/dbraw/zinc/64/80/48/1183648048.db2.gz JKPKPAOOCCXKQE-PBHICJAKSA-N 2 2 333.480 2.193 10 30 EEEELP C=C(C)CC[NH+](C)C[C@@H](C)NC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1 ZINC001268730687 1183648051 /nfs/dbraw/zinc/64/80/51/1183648051.db2.gz JKPKPAOOCCXKQE-PBHICJAKSA-N 2 2 333.480 2.193 10 30 EEEELP C=C(C)CC[NH+](C)C[C@@H](C)NC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1 ZINC001268730687 1183648059 /nfs/dbraw/zinc/64/80/59/1183648059.db2.gz JKPKPAOOCCXKQE-PBHICJAKSA-N 2 2 333.480 2.193 10 30 EEEELP C=C(C)CC[NH2+]C1(CNC(=O)[C@H]2CCc3[nH+]ccn3C2)CCCC1 ZINC001482222891 1184302042 /nfs/dbraw/zinc/30/20/42/1184302042.db2.gz MELAQEMTDUNYIO-INIZCTEOSA-N 2 2 330.476 2.430 10 30 EEEELP C[C@H](C[NH2+]Cc1ccc(C#N)cc1)N(C)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001482339009 1185437274 /nfs/dbraw/zinc/43/72/74/1185437274.db2.gz RXQJVSUVOCZUFL-JKSUJKDBSA-N 2 2 339.443 2.343 10 30 EEEELP C#CC[N@H+](C)CCC1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC001482504612 1186415412 /nfs/dbraw/zinc/41/54/12/1186415412.db2.gz RBMLHEYEJATLBZ-UHFFFAOYSA-N 2 2 330.476 2.120 10 30 EEEELP C#CC[N@@H+](C)CCC1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC001482504612 1186415415 /nfs/dbraw/zinc/41/54/15/1186415415.db2.gz RBMLHEYEJATLBZ-UHFFFAOYSA-N 2 2 330.476 2.120 10 30 EEEELP C=CCC[C@@H](C)[NH+]1CC(N(C)C(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001483886419 1191108970 /nfs/dbraw/zinc/10/89/70/1191108970.db2.gz RXWWUDBUKWFFFD-OAHLLOKOSA-N 2 2 339.443 2.378 10 30 EEEELP CC(C)[N@H+](C)CC(=O)N(C)C[C@H]1CC[NH+]1CC#Cc1ccc(F)cc1 ZINC001691679124 1197484268 /nfs/dbraw/zinc/48/42/68/1197484268.db2.gz RUIHDPZAKLFCCN-LJQANCHMSA-N 2 2 345.462 2.050 10 30 EEEELP CC(C)[N@@H+](C)CC(=O)N(C)C[C@H]1CC[NH+]1CC#Cc1ccc(F)cc1 ZINC001691679124 1197484271 /nfs/dbraw/zinc/48/42/71/1197484271.db2.gz RUIHDPZAKLFCCN-LJQANCHMSA-N 2 2 345.462 2.050 10 30 EEEELP CC(C)[NH+](C)CC(=O)N(C)C[C@H]1CC[N@@H+]1CC#Cc1ccc(F)cc1 ZINC001691679124 1197484272 /nfs/dbraw/zinc/48/42/72/1197484272.db2.gz RUIHDPZAKLFCCN-LJQANCHMSA-N 2 2 345.462 2.050 10 30 EEEELP CC(C)[NH+](C)CC(=O)N(C)C[C@H]1CC[N@H+]1CC#Cc1ccc(F)cc1 ZINC001691679124 1197484276 /nfs/dbraw/zinc/48/42/76/1197484276.db2.gz RUIHDPZAKLFCCN-LJQANCHMSA-N 2 2 345.462 2.050 10 30 EEEELP CCN1CC[NH+](CCCC[NH2+][C@H](C)c2cccc(C#N)c2O)CC1 ZINC000866232542 1201472194 /nfs/dbraw/zinc/47/21/94/1201472194.db2.gz NCKHNRBBBBJZFF-MRXNPFEDSA-N 2 2 330.476 2.332 10 30 EEEELP C[C@H](CC(=O)NC/C=C/C[NH2+]CC#Cc1ccccc1)n1cc[nH+]c1 ZINC001274404890 1205024896 /nfs/dbraw/zinc/02/48/96/1205024896.db2.gz QZYNLDRRLLMPCK-DUMMIQTOSA-N 2 2 336.439 2.148 10 30 EEEELP C=CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001273826588 1286526925 /nfs/dbraw/zinc/52/69/25/1286526925.db2.gz ZXAQOJPGMUPYOF-RBUKOAKNSA-N 2 2 329.488 2.302 10 30 EEEELP C=CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001273826588 1286526930 /nfs/dbraw/zinc/52/69/30/1286526930.db2.gz ZXAQOJPGMUPYOF-RBUKOAKNSA-N 2 2 329.488 2.302 10 30 EEEELP C=C(C)CC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001277663424 1304121712 /nfs/dbraw/zinc/12/17/12/1304121712.db2.gz XMMXMQRTRFQVCW-FUHWJXTLSA-N 2 2 330.476 2.238 10 30 EEEELP C=CC[N@@H+](C)CCN(CC)C(=O)C[C@@H](n1cc[nH+]c1)C(F)(F)F ZINC001139869684 1314781572 /nfs/dbraw/zinc/78/15/72/1314781572.db2.gz PNVQDFFKBGMHCN-CYBMUJFWSA-N 2 2 332.370 2.343 10 30 EEEELP C=CC[N@H+](C)CCN(CC)C(=O)C[C@@H](n1cc[nH+]c1)C(F)(F)F ZINC001139869684 1314781574 /nfs/dbraw/zinc/78/15/74/1314781574.db2.gz PNVQDFFKBGMHCN-CYBMUJFWSA-N 2 2 332.370 2.343 10 30 EEEELP C=CCC[C@@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)Cc3[nH]c[nH+]c3C)C[C@@H]2C1 ZINC001264655569 1322767624 /nfs/dbraw/zinc/76/76/24/1322767624.db2.gz FZNHYGATIMJZRX-OIISXLGYSA-N 2 2 330.476 2.396 10 30 EEEELP C=CCC[C@@H](C)[N@H+]1CC[C@@H]2CN(C(=O)Cc3[nH]c[nH+]c3C)C[C@@H]2C1 ZINC001264655569 1322767626 /nfs/dbraw/zinc/76/76/26/1322767626.db2.gz FZNHYGATIMJZRX-OIISXLGYSA-N 2 2 330.476 2.396 10 30 EEEELP C=C(C)CC[NH2+][C@H](C)CN(C)C(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC001283665011 1326190800 /nfs/dbraw/zinc/19/08/00/1326190800.db2.gz HUQWNEOHRAHYFU-SJLPKXTDSA-N 2 2 337.508 2.033 10 30 EEEELP C=C(C)CC[NH2+][C@H](C)CN(C)C(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC001283665011 1326190802 /nfs/dbraw/zinc/19/08/02/1326190802.db2.gz HUQWNEOHRAHYFU-SJLPKXTDSA-N 2 2 337.508 2.033 10 30 EEEELP C=C(C)C[N@H+]1CC[C@@H](N(CCC)C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001317761742 1332399750 /nfs/dbraw/zinc/39/97/50/1332399750.db2.gz ORIREONRSUQEJS-SJLPKXTDSA-N 2 2 330.476 2.335 10 30 EEEELP C=C(C)C[N@@H+]1CC[C@@H](N(CCC)C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001317761742 1332399751 /nfs/dbraw/zinc/39/97/51/1332399751.db2.gz ORIREONRSUQEJS-SJLPKXTDSA-N 2 2 330.476 2.335 10 30 EEEELP C=C(C)C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CCc1[nH+]ccn1C)C2 ZINC001325633251 1333929198 /nfs/dbraw/zinc/92/91/98/1333929198.db2.gz WPULBMDRDYISEM-BJWYYQGGSA-N 2 2 330.476 2.288 10 30 EEEELP C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CCc1[nH+]ccn1C)C2 ZINC001325633251 1333929201 /nfs/dbraw/zinc/92/92/01/1333929201.db2.gz WPULBMDRDYISEM-BJWYYQGGSA-N 2 2 330.476 2.288 10 30 EEEELP C=C(C)C[NH+]1CC2(C1)CC[C@@H](CNC(=O)CCCC[NH+]1CCCC1)O2 ZINC001327373251 1334279879 /nfs/dbraw/zinc/27/98/79/1334279879.db2.gz UAOJGXLALBKFKA-SFHVURJKSA-N 2 2 349.519 2.178 10 30 EEEELP CC[N@H+](C)CCC(=O)N[C@@H]1CCC[NH+](CC#Cc2ccc(F)cc2)C1 ZINC001660850997 1354550951 /nfs/dbraw/zinc/55/09/51/1354550951.db2.gz GFFGEJNVAVUYTI-LJQANCHMSA-N 2 2 345.462 2.100 10 30 EEEELP CC[N@@H+](C)CCC(=O)N[C@@H]1CCC[NH+](CC#Cc2ccc(F)cc2)C1 ZINC001660850997 1354550954 /nfs/dbraw/zinc/55/09/54/1354550954.db2.gz GFFGEJNVAVUYTI-LJQANCHMSA-N 2 2 345.462 2.100 10 30 EEEELP CC[NH+](C)CCC(=O)N[C@@H]1CCC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC001660850997 1354550956 /nfs/dbraw/zinc/55/09/56/1354550956.db2.gz GFFGEJNVAVUYTI-LJQANCHMSA-N 2 2 345.462 2.100 10 30 EEEELP CC[NH+](C)CCC(=O)N[C@@H]1CCC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC001660850997 1354550958 /nfs/dbraw/zinc/55/09/58/1354550958.db2.gz GFFGEJNVAVUYTI-LJQANCHMSA-N 2 2 345.462 2.100 10 30 EEEELP CC#CC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001661995513 1354738623 /nfs/dbraw/zinc/73/86/23/1354738623.db2.gz HCUUJLHRUNILOD-IAGOWNOFSA-N 2 2 330.476 2.167 10 30 EEEELP CC#CC[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001661995513 1354738625 /nfs/dbraw/zinc/73/86/25/1354738625.db2.gz HCUUJLHRUNILOD-IAGOWNOFSA-N 2 2 330.476 2.167 10 30 EEEELP C=C(Cl)C[NH2+]CCC1CCN(C(=O)CCc2[nH+]ccn2C)CC1 ZINC001666226988 1355489201 /nfs/dbraw/zinc/48/92/01/1355489201.db2.gz GNGOBGJWWXZZSD-UHFFFAOYSA-N 2 2 338.883 2.324 10 30 EEEELP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N(C)CCC[NH2+]Cc1ccc(C#N)cc1 ZINC001670276362 1356309620 /nfs/dbraw/zinc/30/96/20/1356309620.db2.gz XSJIIGFAFNKMKO-OAHLLOKOSA-N 2 2 339.443 2.098 10 30 EEEELP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N(C)CCC[NH2+]Cc1ccc(C#N)cc1 ZINC001670276362 1356309624 /nfs/dbraw/zinc/30/96/24/1356309624.db2.gz XSJIIGFAFNKMKO-OAHLLOKOSA-N 2 2 339.443 2.098 10 30 EEEELP C=CCCC[NH2+]C[C@]1(C)CCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001671753496 1356408581 /nfs/dbraw/zinc/40/85/81/1356408581.db2.gz QLSGFHBJLHGPIF-LPHOPBHVSA-N 2 2 330.476 2.240 10 30 EEEELP C=CCCC[NH2+][C@H](C)[C@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)CCO1 ZINC001675597584 1357011457 /nfs/dbraw/zinc/01/14/57/1357011457.db2.gz BSPSIOLVXOQTOV-RDTXWAMCSA-N 2 2 342.443 2.348 10 30 EEEELP C[C@H](C[NH2+]CC#Cc1cccc(Cl)c1)N(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001698850657 1405108429 /nfs/dbraw/zinc/10/84/29/1405108429.db2.gz NUFWZZTWQAZHAF-CQSZACIVSA-N 2 2 344.846 2.094 10 30 EEEELP C#CCN(C(=O)Cn1cc[nH+]c1)C1CC[NH+](CC/C=C/CC)CC1 ZINC001699788961 1405486339 /nfs/dbraw/zinc/48/63/39/1405486339.db2.gz IVWXTMJEVHIJDR-AATRIKPKSA-N 2 2 328.460 2.166 10 30 EEEELP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)C(C)(C)C1 ZINC000940850447 779390046 /nfs/dbraw/zinc/39/00/46/779390046.db2.gz FOBROJFMOABKAR-DOTOQJQBSA-N 2 2 330.476 2.238 10 30 EEEELP C=C(C)C[N@H+]1CC[C@@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)C(C)(C)C1 ZINC000940850447 779390052 /nfs/dbraw/zinc/39/00/52/779390052.db2.gz FOBROJFMOABKAR-DOTOQJQBSA-N 2 2 330.476 2.238 10 30 EEEELP CCC[NH+]1CCN(c2ccccc2C=[NH+]NC(=S)NC2CC2)CC1 ZINC000915945014 797453938 /nfs/dbraw/zinc/45/39/38/797453938.db2.gz NUYMDFLPIZKXKD-UHFFFAOYSA-N 2 2 345.516 2.179 10 30 EEEELP C=C(C)C[N@@H+](C)CCOCCN(C)C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001566059318 1125534673 /nfs/dbraw/zinc/53/46/73/1125534673.db2.gz NYUHJNCEAFLDJT-UHFFFAOYSA-N 2 2 344.459 2.239 10 30 EEEELP C=C(C)C[N@H+](C)CCOCCN(C)C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001566059318 1125534677 /nfs/dbraw/zinc/53/46/77/1125534677.db2.gz NYUHJNCEAFLDJT-UHFFFAOYSA-N 2 2 344.459 2.239 10 30 EEEELP C=C(Br)C[NH+](C)[C@@H]1CCCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001442222231 1096518145 /nfs/dbraw/zinc/51/81/45/1096518145.db2.gz YVBNYYVKYGYYSW-CQSZACIVSA-N 2 2 346.313 2.158 10 30 EEEELP C=C(Br)C[NH+](C)[C@@H]1CCCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001442222231 1096518150 /nfs/dbraw/zinc/51/81/50/1096518150.db2.gz YVBNYYVKYGYYSW-CQSZACIVSA-N 2 2 346.313 2.158 10 30 EEEELP C=C(Br)C[N@@H+](C)[C@@H]1CCCN(C(=O)C[NH+](C)C(C)C)C1 ZINC001442222231 1096518154 /nfs/dbraw/zinc/51/81/54/1096518154.db2.gz YVBNYYVKYGYYSW-CQSZACIVSA-N 2 2 346.313 2.158 10 30 EEEELP C=C(Br)C[N@H+](C)[C@@H]1CCCN(C(=O)C[NH+](C)C(C)C)C1 ZINC001442222231 1096518158 /nfs/dbraw/zinc/51/81/58/1096518158.db2.gz YVBNYYVKYGYYSW-CQSZACIVSA-N 2 2 346.313 2.158 10 30 EEEELP C#CC[NH2+][C@H](C)[C@H]1CCCN(C(=O)Cc2cn3cccc(C)c3[nH+]2)C1 ZINC001568414590 1124482047 /nfs/dbraw/zinc/48/20/47/1124482047.db2.gz MWFDGOFWMOUBQA-SJORKVTESA-N 2 2 338.455 2.035 10 30 EEEELP Cn1ccnc1C[N@H+](Cc1ccc(C#N)cc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000262098228 279373983 /nfs/dbraw/zinc/37/39/83/279373983.db2.gz IFIGIGIXMDWBJL-GOSISDBHSA-N 2 2 335.455 2.436 10 30 EEEELP Cn1ccnc1C[N@@H+](Cc1ccc(C#N)cc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000262098228 279373985 /nfs/dbraw/zinc/37/39/85/279373985.db2.gz IFIGIGIXMDWBJL-GOSISDBHSA-N 2 2 335.455 2.436 10 30 EEEELP C[N@@H+]1CCCC[C@H]1CN1CC[NH+](CCOc2cccc(C#N)c2)CC1 ZINC000071892869 463459514 /nfs/dbraw/zinc/45/95/14/463459514.db2.gz KRKGATWXASZCRR-IBGZPJMESA-N 2 2 342.487 2.039 10 30 EEEELP C[N@H+]1CCCC[C@H]1CN1CC[NH+](CCOc2cccc(C#N)c2)CC1 ZINC000071892869 463459517 /nfs/dbraw/zinc/45/95/17/463459517.db2.gz KRKGATWXASZCRR-IBGZPJMESA-N 2 2 342.487 2.039 10 30 EEEELP COCC[NH+](CCOC)C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000285562201 464610259 /nfs/dbraw/zinc/61/02/59/464610259.db2.gz SQZKKOQSSPJIMV-UHFFFAOYSA-N 2 2 331.460 2.117 10 30 EEEELP O=C(NCc1cn2cc(Cl)ccc2[nH+]1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000329419870 465327784 /nfs/dbraw/zinc/32/77/84/465327784.db2.gz DZYUDLPNQOSYIT-CQSZACIVSA-N 2 2 333.823 2.182 10 30 EEEELP O=C(NCc1cn2cc(Cl)ccc2[nH+]1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000329419870 465327786 /nfs/dbraw/zinc/32/77/86/465327786.db2.gz DZYUDLPNQOSYIT-CQSZACIVSA-N 2 2 333.823 2.182 10 30 EEEELP CN(C)c1[nH+]cc(C[NH2+]C2(c3cccc(C#N)c3)CCOCC2)n1C ZINC000594982009 468737059 /nfs/dbraw/zinc/73/70/59/468737059.db2.gz XQVAVXUNYHDBEI-UHFFFAOYSA-N 2 2 339.443 2.153 10 30 EEEELP CC[C@H]([NH2+]C[C@@H](C)CN1CC[NH+](C)CC1)c1cccc(C#N)c1O ZINC000924947911 681819724 /nfs/dbraw/zinc/81/97/24/681819724.db2.gz DSNNEQGPVKSDDV-QAPCUYQASA-N 2 2 330.476 2.188 10 30 EEEELP C=C(CC[NH+](C)C)C(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1 ZINC000900847055 683621424 /nfs/dbraw/zinc/62/14/24/683621424.db2.gz WGHUTJWYABOFIP-UHFFFAOYSA-N 2 2 344.503 2.346 10 30 EEEELP C[C@H](CCC[NH2+]Cc1ccc(F)c(C#N)c1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001485740244 1191917106 /nfs/dbraw/zinc/91/71/06/1191917106.db2.gz JUIAAPORAUCLIU-CYBMUJFWSA-N 2 2 343.406 2.038 10 30 EEEELP C=CC[NH2+]C[C@@H](NC(=O)[C@H]1CCc2[nH+]ccn2C1)C1CCCCC1 ZINC001268120004 1181766477 /nfs/dbraw/zinc/76/64/77/1181766477.db2.gz SJRJHNRNQONWAU-DLBZAZTESA-N 2 2 330.476 2.286 10 30 EEEELP C#CC[NH2+]C[C@]1(NC(=O)Cc2cn3c([nH+]2)CCCC3)CCCC[C@H]1C ZINC001481959102 1183038193 /nfs/dbraw/zinc/03/81/93/1183038193.db2.gz UITBJIDHESXYOY-OXQOHEQNSA-N 2 2 342.487 2.050 10 30 EEEELP C=CCC[C@@H](C)[N@@H+]1CC[C@@H](N(C)C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001269251996 1184104448 /nfs/dbraw/zinc/10/44/48/1184104448.db2.gz VDDSOLZPBIWJRQ-HUUCEWRRSA-N 2 2 334.464 2.237 10 30 EEEELP C=CCC[C@@H](C)[N@H+]1CC[C@@H](N(C)C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001269251996 1184104455 /nfs/dbraw/zinc/10/44/55/1184104455.db2.gz VDDSOLZPBIWJRQ-HUUCEWRRSA-N 2 2 334.464 2.237 10 30 EEEELP CC[C@H](CNC(=O)Cn1cc[nH+]c1)[NH2+]CC#Cc1ccc(Cl)cc1 ZINC001269514973 1184336522 /nfs/dbraw/zinc/33/65/22/1184336522.db2.gz CDYLPGUZNKRBHG-QGZVFWFLSA-N 2 2 344.846 2.073 10 30 EEEELP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@]1(C)CCC[NH+](CC(=C)Cl)C1 ZINC001270965689 1185777013 /nfs/dbraw/zinc/77/70/13/1185777013.db2.gz NDFKDCJDGJEHGG-WMZOPIPTSA-N 2 2 337.895 2.055 10 30 EEEELP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@]1(C)CCC[NH+](CC(=C)Cl)C1 ZINC001270965689 1185777016 /nfs/dbraw/zinc/77/70/16/1185777016.db2.gz NDFKDCJDGJEHGG-WMZOPIPTSA-N 2 2 337.895 2.055 10 30 EEEELP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@]1(C)CCC[N@H+](CC(=C)Cl)C1 ZINC001270965689 1185777021 /nfs/dbraw/zinc/77/70/21/1185777021.db2.gz NDFKDCJDGJEHGG-WMZOPIPTSA-N 2 2 337.895 2.055 10 30 EEEELP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@]1(C)CCC[N@@H+](CC(=C)Cl)C1 ZINC001270965689 1185777025 /nfs/dbraw/zinc/77/70/25/1185777025.db2.gz NDFKDCJDGJEHGG-WMZOPIPTSA-N 2 2 337.895 2.055 10 30 EEEELP C=CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001271110140 1185893058 /nfs/dbraw/zinc/89/30/58/1185893058.db2.gz QTVHKNUSLOOJFB-HZPDHXFCSA-N 2 2 343.462 2.366 10 30 EEEELP C=CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001271110140 1185893061 /nfs/dbraw/zinc/89/30/61/1185893061.db2.gz QTVHKNUSLOOJFB-HZPDHXFCSA-N 2 2 343.462 2.366 10 30 EEEELP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@@H](C)[N@H+](C)Cc1cccc(C#N)c1 ZINC001409660211 1190157989 /nfs/dbraw/zinc/15/79/89/1190157989.db2.gz PGYIHDXBIGDUHT-HUUCEWRRSA-N 2 2 339.443 2.097 10 30 EEEELP C=C(C)CC[NH2+]C[C@H]1CCCCN1C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001272974132 1194283271 /nfs/dbraw/zinc/28/32/71/1194283271.db2.gz NSBOFTAMBKHGSI-IAGOWNOFSA-N 2 2 330.476 2.382 10 30 EEEELP C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H](C(C)C)[NH+]1CCCCC1)CO2 ZINC001273729083 1284274813 /nfs/dbraw/zinc/27/48/13/1284274813.db2.gz HNJNRAMMUSGKQF-ZWKOTPCHSA-N 2 2 349.519 2.033 10 30 EEEELP C=CCOCC[N@@H+](C)C1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC001277412319 1302921346 /nfs/dbraw/zinc/92/13/46/1302921346.db2.gz XDZXGLYPGUYJQF-UHFFFAOYSA-N 2 2 348.491 2.052 10 30 EEEELP C=CCOCC[N@H+](C)C1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC001277412319 1302921348 /nfs/dbraw/zinc/92/13/48/1302921348.db2.gz XDZXGLYPGUYJQF-UHFFFAOYSA-N 2 2 348.491 2.052 10 30 EEEELP C=CCCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)[C@H]1CC ZINC001264056982 1322601419 /nfs/dbraw/zinc/60/14/19/1322601419.db2.gz JPVVTNDMKCWAKY-RYQLBKOJSA-N 2 2 330.476 2.381 10 30 EEEELP C=CCCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)[C@H]1CC ZINC001264056982 1322601424 /nfs/dbraw/zinc/60/14/24/1322601424.db2.gz JPVVTNDMKCWAKY-RYQLBKOJSA-N 2 2 330.476 2.381 10 30 EEEELP C=C(C)CC[N@@H+](CCO)[C@@H]1CCCN(C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001264635340 1322759842 /nfs/dbraw/zinc/75/98/42/1322759842.db2.gz ZUEHUTAKUYYMEP-ZWKOTPCHSA-N 2 2 348.491 2.086 10 30 EEEELP C=C(C)CC[N@H+](CCO)[C@@H]1CCCN(C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001264635340 1322759846 /nfs/dbraw/zinc/75/98/46/1322759846.db2.gz ZUEHUTAKUYYMEP-ZWKOTPCHSA-N 2 2 348.491 2.086 10 30 EEEELP C=CCC[C@@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)CCn3cc[nH+]c3)C[C@@H]2C1 ZINC001264649295 1322765839 /nfs/dbraw/zinc/76/58/39/1322765839.db2.gz WDVOLLIXYRZSLB-KURKYZTESA-N 2 2 330.476 2.408 10 30 EEEELP C=CCC[C@@H](C)[N@H+]1CC[C@@H]2CN(C(=O)CCn3cc[nH+]c3)C[C@@H]2C1 ZINC001264649295 1322765843 /nfs/dbraw/zinc/76/58/43/1322765843.db2.gz WDVOLLIXYRZSLB-KURKYZTESA-N 2 2 330.476 2.408 10 30 EEEELP C=CCC[C@H](C)[N@@H+]1CC[C@@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001265285723 1323036743 /nfs/dbraw/zinc/03/67/43/1323036743.db2.gz GHPDCHPNCXDUMX-JKSUJKDBSA-N 2 2 330.476 2.307 10 30 EEEELP C=CCC[C@H](C)[N@H+]1CC[C@@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001265285723 1323036747 /nfs/dbraw/zinc/03/67/47/1323036747.db2.gz GHPDCHPNCXDUMX-JKSUJKDBSA-N 2 2 330.476 2.307 10 30 EEEELP CC#CC[N@@H+]1CCC[C@@H](NC(=O)[C@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001280747881 1324475205 /nfs/dbraw/zinc/47/52/05/1324475205.db2.gz XLBUTXJMDJLZGB-MSOLQXFVSA-N 2 2 330.476 2.464 10 30 EEEELP CC#CC[N@H+]1CCC[C@@H](NC(=O)[C@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001280747881 1324475208 /nfs/dbraw/zinc/47/52/08/1324475208.db2.gz XLBUTXJMDJLZGB-MSOLQXFVSA-N 2 2 330.476 2.464 10 30 EEEELP C#CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCCC[NH+]2Cc2ccccc2)C1 ZINC001303559218 1331359629 /nfs/dbraw/zinc/35/96/29/1331359629.db2.gz WZKPVPNNUMGGPP-PMACEKPBSA-N 2 2 339.483 2.255 10 30 EEEELP C#CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCCC[NH+]2Cc2ccccc2)C1 ZINC001303559218 1331359632 /nfs/dbraw/zinc/35/96/32/1331359632.db2.gz WZKPVPNNUMGGPP-PMACEKPBSA-N 2 2 339.483 2.255 10 30 EEEELP C#CC[NH+]1CCC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccccc2)C1 ZINC001303559218 1331359634 /nfs/dbraw/zinc/35/96/34/1331359634.db2.gz WZKPVPNNUMGGPP-PMACEKPBSA-N 2 2 339.483 2.255 10 30 EEEELP C#CC[NH+]1CCC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2Cc2ccccc2)C1 ZINC001303559218 1331359640 /nfs/dbraw/zinc/35/96/40/1331359640.db2.gz WZKPVPNNUMGGPP-PMACEKPBSA-N 2 2 339.483 2.255 10 30 EEEELP C=CCC[NH2+][C@H]1CCCCCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001316774964 1331887079 /nfs/dbraw/zinc/88/70/79/1331887079.db2.gz XRQFRGABWWJDMZ-IRXDYDNUSA-N 2 2 330.476 2.382 10 30 EEEELP C#CCC[NH2+]C1CCC(NC(=O)Cc2cn3cccc(C)c3[nH+]2)CC1 ZINC001317222899 1332142932 /nfs/dbraw/zinc/14/29/32/1332142932.db2.gz IZIRYXSFFYALJJ-UHFFFAOYSA-N 2 2 338.455 2.226 10 30 EEEELP C=C(C)C[NH2+]C[C@H]1CCN(C(=O)Cc2cn3cccc(C)c3[nH+]2)C1 ZINC001317338357 1332184944 /nfs/dbraw/zinc/18/49/44/1332184944.db2.gz YAVNDDKMIMMNEF-MRXNPFEDSA-N 2 2 326.444 2.199 10 30 EEEELP C#CCN(C(=O)Cc1c[nH+]c[nH]1)C1CC[NH+](CCCCCC)CC1 ZINC001324426587 1333680503 /nfs/dbraw/zinc/68/05/03/1333680503.db2.gz LSDWBJUDVMNVRS-UHFFFAOYSA-N 2 2 330.476 2.459 10 30 EEEELP C#CC[NH2+]C[C@@H](NC(=O)[C@@H](CC(C)C)n1cc[nH+]c1)C1CCCC1 ZINC001324483304 1333692517 /nfs/dbraw/zinc/69/25/17/1333692517.db2.gz QLPPYHLKJLFCHZ-QZTJIDSGSA-N 2 2 330.476 2.368 10 30 EEEELP C=CCCC[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC001566691889 1342604096 /nfs/dbraw/zinc/60/40/96/1342604096.db2.gz WERVDIWJZVYVQE-DLBZAZTESA-N 2 2 342.487 2.382 10 30 EEEELP C=CCCC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC001566691891 1342604381 /nfs/dbraw/zinc/60/43/81/1342604381.db2.gz WERVDIWJZVYVQE-IRXDYDNUSA-N 2 2 342.487 2.382 10 30 EEEELP C=CC[NH2+]C[C@@H]1CC[C@H](NC(=O)Cc2cn3cccc(C)c3[nH+]2)C1 ZINC001676957216 1357248900 /nfs/dbraw/zinc/24/89/00/1357248900.db2.gz AITPKPIUIWJGJD-CVEARBPZSA-N 2 2 326.444 2.246 10 30 EEEELP C=CCC[NH2+][C@@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)CC[C@H]1C(F)(F)F ZINC001677376786 1357324745 /nfs/dbraw/zinc/32/47/45/1357324745.db2.gz ZAJITTKQSMKOGR-TZMCWYRMSA-N 2 2 344.381 2.206 10 30 EEEELP C=CCC[NH2+]CC[C@H]1CCCCN1C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001667268709 1355694328 /nfs/dbraw/zinc/69/43/28/1355694328.db2.gz ZQCGRQBKLPSVGG-IAGOWNOFSA-N 2 2 330.476 2.382 10 30 EEEELP C#CC[N@@H+](C)CCCNC(=O)N[C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC001681598047 1358038235 /nfs/dbraw/zinc/03/82/35/1358038235.db2.gz MPPLGSOGACJHRU-MRXNPFEDSA-N 2 2 339.443 2.188 10 30 EEEELP C#CC[N@H+](C)CCCNC(=O)N[C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC001681598047 1358038239 /nfs/dbraw/zinc/03/82/39/1358038239.db2.gz MPPLGSOGACJHRU-MRXNPFEDSA-N 2 2 339.443 2.188 10 30 EEEELP C=CCCC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)CC2 ZINC001698804407 1405077151 /nfs/dbraw/zinc/07/71/51/1405077151.db2.gz OCSGWARSRIEMPP-HZPDHXFCSA-N 2 2 328.460 2.404 10 30 EEEELP C=CCCC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)CC2 ZINC001698804407 1405077158 /nfs/dbraw/zinc/07/71/58/1405077158.db2.gz OCSGWARSRIEMPP-HZPDHXFCSA-N 2 2 328.460 2.404 10 30 EEEELP C=CCC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)CCc2[nH+]ccn2C)C1 ZINC001699886260 1405552580 /nfs/dbraw/zinc/55/25/80/1405552580.db2.gz DOEOYRKXDUWONB-CQSZACIVSA-N 2 2 340.418 2.002 10 30 EEEELP C=CCC[N@H+]1CCC(F)(F)[C@H](CNC(=O)CCc2[nH+]ccn2C)C1 ZINC001699886260 1405552584 /nfs/dbraw/zinc/55/25/84/1405552584.db2.gz DOEOYRKXDUWONB-CQSZACIVSA-N 2 2 340.418 2.002 10 30 EEEELP C#CC[N@@H+]1CC[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C(C)(C)C1 ZINC000940923103 779550687 /nfs/dbraw/zinc/55/06/87/779550687.db2.gz XWKQJAJHHPFVIB-SFHVURJKSA-N 2 2 336.439 2.336 10 30 EEEELP C#CC[N@H+]1CC[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C(C)(C)C1 ZINC000940923103 779550694 /nfs/dbraw/zinc/55/06/94/779550694.db2.gz XWKQJAJHHPFVIB-SFHVURJKSA-N 2 2 336.439 2.336 10 30 EEEELP C#C[C@H]1CCC[N@@H+](CC(=O)N2CC[NH+]([C@@H](C)c3ccccc3)CC2)C1 ZINC000847021968 790837003 /nfs/dbraw/zinc/83/70/03/790837003.db2.gz DJTBDLHMUSFPQD-OALUTQOASA-N 2 2 339.483 2.237 10 30 EEEELP C#C[C@H]1CCC[N@H+](CC(=O)N2CC[NH+]([C@@H](C)c3ccccc3)CC2)C1 ZINC000847021968 790837018 /nfs/dbraw/zinc/83/70/18/790837018.db2.gz DJTBDLHMUSFPQD-OALUTQOASA-N 2 2 339.483 2.237 10 30 EEEELP C=C(Br)C[NH2+]C[C@H](C)N(C)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001438710955 1091227408 /nfs/dbraw/zinc/22/74/08/1091227408.db2.gz SJPZDXZJQQUAFX-NSHDSACASA-N 2 2 343.269 2.032 10 30 EEEELP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCC[NH+](C)Cc1ccc(C#N)cc1F ZINC001442603828 1096974682 /nfs/dbraw/zinc/97/46/82/1096974682.db2.gz WBBVJLHAARRSRT-GASCZTMLSA-N 2 2 346.450 2.118 10 30 EEEELP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NCC[NH+](C)Cc1ccc(C#N)cc1F ZINC001442603828 1096974687 /nfs/dbraw/zinc/97/46/87/1096974687.db2.gz WBBVJLHAARRSRT-GASCZTMLSA-N 2 2 346.450 2.118 10 30 EEEELP C[C@@H]1CC[C@H](C)[NH+]1CC(=O)NCC[N@H+](C)Cc1ccc(C#N)cc1F ZINC001442603828 1096974689 /nfs/dbraw/zinc/97/46/89/1096974689.db2.gz WBBVJLHAARRSRT-GASCZTMLSA-N 2 2 346.450 2.118 10 30 EEEELP C[C@@H]1CC[C@H](C)[NH+]1CC(=O)NCC[N@@H+](C)Cc1ccc(C#N)cc1F ZINC001442603828 1096974698 /nfs/dbraw/zinc/97/46/98/1096974698.db2.gz WBBVJLHAARRSRT-GASCZTMLSA-N 2 2 346.450 2.118 10 30 EEEELP C=CCCC[N@@H+]1CCO[C@@H](CNC(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001495885477 1101718082 /nfs/dbraw/zinc/71/80/82/1101718082.db2.gz RJEWNYAJEPPUTB-OALUTQOASA-N 2 2 345.487 2.073 10 30 EEEELP C=CCCC[N@H+]1CCO[C@@H](CNC(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001495885477 1101718093 /nfs/dbraw/zinc/71/80/93/1101718093.db2.gz RJEWNYAJEPPUTB-OALUTQOASA-N 2 2 345.487 2.073 10 30 EEEELP C=CCC[C@@H](C)[NH+]1CC(N(C)C(=O)c2cc([C@@H]3CCC[N@@H+]3C)[nH]n2)C1 ZINC001499672078 1112438882 /nfs/dbraw/zinc/43/88/82/1112438882.db2.gz HHHOKRLNTAWKJW-KDOFPFPSSA-N 2 2 345.491 2.287 10 30 EEEELP C=CCC[C@@H](C)[NH+]1CC(N(C)C(=O)c2cc([C@@H]3CCC[N@H+]3C)[nH]n2)C1 ZINC001499672078 1112438885 /nfs/dbraw/zinc/43/88/85/1112438885.db2.gz HHHOKRLNTAWKJW-KDOFPFPSSA-N 2 2 345.491 2.287 10 30 EEEELP C=CCC[NH2+][C@H](C)[C@@H]1CCN(C(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001501047799 1113179131 /nfs/dbraw/zinc/17/91/31/1113179131.db2.gz TXJAHDWYUGFGIG-HZPDHXFCSA-N 2 2 330.476 2.165 10 30 EEEELP C=CCOCC[N@H+]1CCC[C@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001502138296 1113611789 /nfs/dbraw/zinc/61/17/89/1113611789.db2.gz RQIUIKYGQWVAEB-SJORKVTESA-N 2 2 334.464 2.008 10 30 EEEELP C=CCOCC[N@@H+]1CCC[C@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001502138296 1113611791 /nfs/dbraw/zinc/61/17/91/1113611791.db2.gz RQIUIKYGQWVAEB-SJORKVTESA-N 2 2 334.464 2.008 10 30 EEEELP C=C(C)CC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)Cc1c[nH+]cn1C ZINC001505416567 1113949963 /nfs/dbraw/zinc/94/99/63/1113949963.db2.gz OMTQMXGYRRVCNA-UYAOXDASSA-N 2 2 338.455 2.301 10 30 EEEELP C=CCCC[N@H+]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C(C)(C)C1 ZINC001506746376 1114859862 /nfs/dbraw/zinc/85/98/62/1114859862.db2.gz KNULELVBKXIGOG-INMHGKMJSA-N 2 2 330.476 2.316 10 30 EEEELP C=CCCC[N@@H+]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C(C)(C)C1 ZINC001506746376 1114859865 /nfs/dbraw/zinc/85/98/65/1114859865.db2.gz KNULELVBKXIGOG-INMHGKMJSA-N 2 2 330.476 2.316 10 30 EEEELP C=C(C)CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)CCn3cc[nH+]c3)C[C@@H]21 ZINC001507362521 1115222699 /nfs/dbraw/zinc/22/26/99/1115222699.db2.gz RFDBYQZKYZJSMR-FGTMMUONSA-N 2 2 330.476 2.456 10 30 EEEELP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N(C)[C@H](C)C[NH2+]CC#Cc1ccccc1 ZINC001568305079 1124412747 /nfs/dbraw/zinc/41/27/47/1124412747.db2.gz XSOWKZYATIIANZ-IAGOWNOFSA-N 2 2 338.455 2.077 10 30 EEEELP CC#CC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC001568538020 1124599766 /nfs/dbraw/zinc/59/97/66/1124599766.db2.gz VTUWAAMPMOQKOK-WMZOPIPTSA-N 2 2 338.455 2.083 10 30 EEEELP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+][C@@H](C)c1c(F)cccc1F ZINC001568997927 1125031005 /nfs/dbraw/zinc/03/10/05/1125031005.db2.gz PMVQWUPFFMWVJZ-KEYYUXOJSA-N 2 2 349.425 2.218 10 30 EEEELP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+][C@@H](C)c1c(F)cccc1F ZINC001568997927 1125031012 /nfs/dbraw/zinc/03/10/12/1125031012.db2.gz PMVQWUPFFMWVJZ-KEYYUXOJSA-N 2 2 349.425 2.218 10 30 EEEELP C=CC[NH+](CC=C)[C@@H](CNC(=O)N[C@H]1CCc2[nH+]c[nH]c2C1)C(C)C ZINC000358298776 465044599 /nfs/dbraw/zinc/04/45/99/465044599.db2.gz DSBKLEUAPGEPKV-YJBOKZPZSA-N 2 2 345.491 2.265 10 30 EEEELP C=CC[NH+](CC=C)[C@@H](CNC(=O)N[C@H]1CCc2[nH]c[nH+]c2C1)C(C)C ZINC000358298776 465044605 /nfs/dbraw/zinc/04/46/05/465044605.db2.gz DSBKLEUAPGEPKV-YJBOKZPZSA-N 2 2 345.491 2.265 10 30 EEEELP Cc1cn2c([nH+]1)[C@H](CNC(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@H]1C)CCC2 ZINC000328727738 465110002 /nfs/dbraw/zinc/11/00/02/465110002.db2.gz VHLBCRWZKNJCJA-VNQPRFMTSA-N 2 2 333.480 2.255 10 30 EEEELP Cc1cn2c([nH+]1)[C@H](CNC(=O)N(C)[C@@H]1CC[N@H+](C)C[C@H]1C)CCC2 ZINC000328727738 465110006 /nfs/dbraw/zinc/11/00/06/465110006.db2.gz VHLBCRWZKNJCJA-VNQPRFMTSA-N 2 2 333.480 2.255 10 30 EEEELP CCCCCCNC(=[NH2+])NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000304800368 466317870 /nfs/dbraw/zinc/31/78/70/466317870.db2.gz OMBOAWRMKVRLHG-UHFFFAOYSA-N 3 2 337.556 2.421 10 30 EEEELP Cn1cc[nH+]c1[C@H](NC(=O)[C@@H]([NH3+])CCCCC#N)c1cccc(F)c1 ZINC000594440692 468589183 /nfs/dbraw/zinc/58/91/83/468589183.db2.gz HTXZULHILJNDMB-JKSUJKDBSA-N 2 2 343.406 2.176 10 30 EEEELP C=CCN(C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)C1CC1 ZINC000362303541 527538958 /nfs/dbraw/zinc/53/89/58/527538958.db2.gz MRESNSIOGYXFGD-UHFFFAOYSA-N 2 2 334.508 2.297 10 30 EEEELP C#CC[NH+]1CCN(C(=O)C[NH2+][C@H]2CCCC[C@@H]2c2ccccc2)CC1 ZINC000776484158 577460625 /nfs/dbraw/zinc/46/06/25/577460625.db2.gz MQWUCLKNKIZQKO-UXHICEINSA-N 2 2 339.483 2.080 10 30 EEEELP CC[C@@H](C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)C(=O)OC ZINC000895122124 683986222 /nfs/dbraw/zinc/98/62/22/683986222.db2.gz LOLYUEFSWBUSOV-KRWDZBQOSA-N 2 2 329.444 2.311 10 30 EEEELP C=CCCC[N@@H+]1C[C@H](NC(=O)[C@@H]2CCc3[nH+]ccn3C2)C(C)(C)C1 ZINC001485570981 1191839872 /nfs/dbraw/zinc/83/98/72/1191839872.db2.gz XSWFRKMOIUGVGY-CVEARBPZSA-N 2 2 330.476 2.238 10 30 EEEELP C=CCCC[N@H+]1C[C@H](NC(=O)[C@@H]2CCc3[nH+]ccn3C2)C(C)(C)C1 ZINC001485570981 1191839873 /nfs/dbraw/zinc/83/98/73/1191839873.db2.gz XSWFRKMOIUGVGY-CVEARBPZSA-N 2 2 330.476 2.238 10 30 EEEELP C=C(C)C[NH2+][C@H](CCNC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1)C(C)C ZINC001485785580 1191951904 /nfs/dbraw/zinc/95/19/04/1191951904.db2.gz IQZQDIAATQQSPN-QAPCUYQASA-N 2 2 347.507 2.487 10 30 EEEELP C=C(C)C[NH2+][C@H](CCNC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1)C(C)C ZINC001485785580 1191951905 /nfs/dbraw/zinc/95/19/05/1191951905.db2.gz IQZQDIAATQQSPN-QAPCUYQASA-N 2 2 347.507 2.487 10 30 EEEELP C=CCC[C@H](C)[N@H+](C)CCNC(=O)[C@@H]1COCC[NH+]1C1CCCC1 ZINC001690971379 1176401439 /nfs/dbraw/zinc/40/14/39/1176401439.db2.gz XDPBETVWGOMOLE-WMZOPIPTSA-N 2 2 337.508 2.033 10 30 EEEELP C=CCC[C@H](C)[N@@H+](C)CCNC(=O)[C@@H]1COCC[NH+]1C1CCCC1 ZINC001690971379 1176401442 /nfs/dbraw/zinc/40/14/42/1176401442.db2.gz XDPBETVWGOMOLE-WMZOPIPTSA-N 2 2 337.508 2.033 10 30 EEEELP C=CCC[C@H](C)[NH+](C)CCNC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC001690971379 1176401444 /nfs/dbraw/zinc/40/14/44/1176401444.db2.gz XDPBETVWGOMOLE-WMZOPIPTSA-N 2 2 337.508 2.033 10 30 EEEELP C=CCC[C@H](C)[NH+](C)CCNC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC001690971379 1176401449 /nfs/dbraw/zinc/40/14/49/1176401449.db2.gz XDPBETVWGOMOLE-WMZOPIPTSA-N 2 2 337.508 2.033 10 30 EEEELP C#CC[N@H+]1CC[C@@H](N(CCC)C(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001267550363 1179338639 /nfs/dbraw/zinc/33/86/39/1179338639.db2.gz VMUZTISMGBMQSN-LJQANCHMSA-N 2 2 327.472 2.065 10 30 EEEELP C#CC[N@@H+]1CC[C@@H](N(CCC)C(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001267550363 1179338647 /nfs/dbraw/zinc/33/86/47/1179338647.db2.gz VMUZTISMGBMQSN-LJQANCHMSA-N 2 2 327.472 2.065 10 30 EEEELP C#CC[NH+]1CC[C@@H](N(CCC)C(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001267550363 1179338655 /nfs/dbraw/zinc/33/86/55/1179338655.db2.gz VMUZTISMGBMQSN-LJQANCHMSA-N 2 2 327.472 2.065 10 30 EEEELP C#CC[NH+]1CC[C@@H](N(CCC)C(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001267550363 1179338664 /nfs/dbraw/zinc/33/86/64/1179338664.db2.gz VMUZTISMGBMQSN-LJQANCHMSA-N 2 2 327.472 2.065 10 30 EEEELP C=CCC[C@H](C)[N@@H+]1CCO[C@H](CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001268024817 1181043298 /nfs/dbraw/zinc/04/32/98/1181043298.db2.gz LQHVAPQEZFNKGI-GOEBONIOSA-N 2 2 342.443 2.348 10 30 EEEELP C=CCC[C@H](C)[N@H+]1CCO[C@H](CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001268024817 1181043303 /nfs/dbraw/zinc/04/33/03/1181043303.db2.gz LQHVAPQEZFNKGI-GOEBONIOSA-N 2 2 342.443 2.348 10 30 EEEELP C=CC[NH2+]C[C@H](NC(=O)[C@H]1CCc2[nH+]ccn2C1)C1CCCCC1 ZINC001268120007 1181766537 /nfs/dbraw/zinc/76/65/37/1181766537.db2.gz SJRJHNRNQONWAU-IRXDYDNUSA-N 2 2 330.476 2.286 10 30 EEEELP C[C@H](CC[NH2+]CC#Cc1ccccc1)NC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001268404701 1182514968 /nfs/dbraw/zinc/51/49/68/1182514968.db2.gz JRYWSHODQWFSTB-IAGOWNOFSA-N 2 2 338.455 2.124 10 30 EEEELP C[C@H](CC[NH2+]CC#Cc1ccccc1)NC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001268404701 1182514971 /nfs/dbraw/zinc/51/49/71/1182514971.db2.gz JRYWSHODQWFSTB-IAGOWNOFSA-N 2 2 338.455 2.124 10 30 EEEELP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H](C)CC[NH2+]Cc1ccc(C#N)cc1 ZINC001268405290 1182518858 /nfs/dbraw/zinc/51/88/58/1182518858.db2.gz LSRMSCSYCCNPLN-CABCVRRESA-N 2 2 339.443 2.145 10 30 EEEELP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H](C)CC[NH2+]Cc1ccc(C#N)cc1 ZINC001268405290 1182518864 /nfs/dbraw/zinc/51/88/64/1182518864.db2.gz LSRMSCSYCCNPLN-CABCVRRESA-N 2 2 339.443 2.145 10 30 EEEELP C[NH+](C)CCCCC(=O)NC[C@@H]1CC[N@@H+]1Cc1ccc(C#N)c(F)c1 ZINC001269330852 1184178591 /nfs/dbraw/zinc/17/85/91/1184178591.db2.gz FZQOGIYDFFJXJQ-KRWDZBQOSA-N 2 2 346.450 2.120 10 30 EEEELP C[NH+](C)CCCCC(=O)NC[C@@H]1CC[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC001269330852 1184178594 /nfs/dbraw/zinc/17/85/94/1184178594.db2.gz FZQOGIYDFFJXJQ-KRWDZBQOSA-N 2 2 346.450 2.120 10 30 EEEELP C=CCC[NH2+]C[C@H](NC(=O)[C@@H]1CCc2c[nH+]cn2C1)C1CCCC1 ZINC001270415278 1185089596 /nfs/dbraw/zinc/08/95/96/1185089596.db2.gz RYZPFOCMJGBIRB-AEFFLSMTSA-N 2 2 330.476 2.286 10 30 EEEELP CN(CC[N@H+](C)CC#Cc1ccccc1Cl)C(=O)C[NH+]1CCCC1 ZINC001482648887 1187479007 /nfs/dbraw/zinc/47/90/07/1187479007.db2.gz AKSKLJJMELRYQW-UHFFFAOYSA-N 2 2 347.890 2.178 10 30 EEEELP CN(CC[N@@H+](C)CC#Cc1ccccc1Cl)C(=O)C[NH+]1CCCC1 ZINC001482648887 1187479011 /nfs/dbraw/zinc/47/90/11/1187479011.db2.gz AKSKLJJMELRYQW-UHFFFAOYSA-N 2 2 347.890 2.178 10 30 EEEELP C[C@@H](CN(C)C(=O)Cc1c[nH+]c[nH]1)[NH2+]CC#Cc1ccccc1Cl ZINC001485925387 1193642289 /nfs/dbraw/zinc/64/22/89/1193642289.db2.gz CCDUZTYQERYTDF-AWEZNQCLSA-N 2 2 344.846 2.094 10 30 EEEELP C=CC[N@@H+](C)Cc1ccccc1CNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001272669440 1191005123 /nfs/dbraw/zinc/00/51/23/1191005123.db2.gz CGEDNTLQFLWSGO-INIZCTEOSA-N 2 2 338.455 2.380 10 30 EEEELP C=CC[N@H+](C)Cc1ccccc1CNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001272669440 1191005125 /nfs/dbraw/zinc/00/51/25/1191005125.db2.gz CGEDNTLQFLWSGO-INIZCTEOSA-N 2 2 338.455 2.380 10 30 EEEELP C=CCC[N@H+]1CCC[C@](C)(CNC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001484162521 1191250752 /nfs/dbraw/zinc/25/07/52/1191250752.db2.gz AWMMZDNHGFINJF-VQIMIIECSA-N 2 2 330.476 2.240 10 30 EEEELP C=CCC[N@@H+]1CCC[C@](C)(CNC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001484162521 1191250753 /nfs/dbraw/zinc/25/07/53/1191250753.db2.gz AWMMZDNHGFINJF-VQIMIIECSA-N 2 2 330.476 2.240 10 30 EEEELP C#CCC[N@H+]1C[C@@H]2CCCN(C(=O)[C@@H](CC(C)C)n3cc[nH+]c3)[C@@H]2C1 ZINC001484471509 1191376240 /nfs/dbraw/zinc/37/62/40/1191376240.db2.gz XOOPEPKQWGCDJG-IPMKNSEASA-N 2 2 342.487 2.416 10 30 EEEELP C#CCC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@@H](CC(C)C)n3cc[nH+]c3)[C@@H]2C1 ZINC001484471509 1191376244 /nfs/dbraw/zinc/37/62/44/1191376244.db2.gz XOOPEPKQWGCDJG-IPMKNSEASA-N 2 2 342.487 2.416 10 30 EEEELP C=CCCC[NH2+][C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CC[C@H]1C(F)(F)F ZINC001486452957 1193974460 /nfs/dbraw/zinc/97/44/60/1193974460.db2.gz RXKPMZHTDXVZKP-CHWSQXEVSA-N 2 2 344.381 2.287 10 30 EEEELP C=C(Cl)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CCCn3cc[nH+]c3C)[C@@H]2C1 ZINC001410119309 1197556559 /nfs/dbraw/zinc/55/65/59/1197556559.db2.gz UAKGPGAVCXNSCY-PHZGNYQRSA-N 2 2 336.867 2.018 10 30 EEEELP C=C(Cl)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)CCCn3cc[nH+]c3C)[C@@H]2C1 ZINC001410119309 1197556563 /nfs/dbraw/zinc/55/65/63/1197556563.db2.gz UAKGPGAVCXNSCY-PHZGNYQRSA-N 2 2 336.867 2.018 10 30 EEEELP C=C1CCC(CNC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)CC1 ZINC000926535931 1206226430 /nfs/dbraw/zinc/22/64/30/1206226430.db2.gz GHBIQLIRPVQTGO-UHFFFAOYSA-N 2 2 336.524 2.400 10 30 EEEELP C=C1CCC(CNC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)CC1 ZINC000926535931 1206226431 /nfs/dbraw/zinc/22/64/31/1206226431.db2.gz GHBIQLIRPVQTGO-UHFFFAOYSA-N 2 2 336.524 2.400 10 30 EEEELP C[C@H](C#N)Oc1ccc(C[NH+]2CCC([N@@H+]3CC[C@@H](O)C3)CC2)cc1 ZINC000827701026 1248654218 /nfs/dbraw/zinc/65/42/18/1248654218.db2.gz ZMTLPDPXKMCWPD-CRAIPNDOSA-N 2 2 329.444 2.008 10 30 EEEELP C[C@H](C#N)Oc1ccc(C[NH+]2CCC([N@H+]3CC[C@@H](O)C3)CC2)cc1 ZINC000827701026 1248654233 /nfs/dbraw/zinc/65/42/33/1248654233.db2.gz ZMTLPDPXKMCWPD-CRAIPNDOSA-N 2 2 329.444 2.008 10 30 EEEELP C=CC[NH2+]CC1(c2ccccc2)CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001281588045 1325326984 /nfs/dbraw/zinc/32/69/84/1325326984.db2.gz ZIMOTUFFKYFPCM-UHFFFAOYSA-N 2 2 338.455 2.288 10 30 EEEELP C=CCCC[N@@H+]1CCOC2(CCN(C(=O)CCc3c[nH]c[nH+]3)CC2)C1 ZINC001281782229 1325451970 /nfs/dbraw/zinc/45/19/70/1325451970.db2.gz ATIAVOGXBRWFPU-UHFFFAOYSA-N 2 2 346.475 2.002 10 30 EEEELP C=CCCC[N@H+]1CCOC2(CCN(C(=O)CCc3c[nH]c[nH+]3)CC2)C1 ZINC001281782229 1325451975 /nfs/dbraw/zinc/45/19/75/1325451975.db2.gz ATIAVOGXBRWFPU-UHFFFAOYSA-N 2 2 346.475 2.002 10 30 EEEELP C=CCCC[N@@H+]1CCOC2(CCN(C(=O)CCc3c[nH+]c[nH]3)CC2)C1 ZINC001281782229 1325451982 /nfs/dbraw/zinc/45/19/82/1325451982.db2.gz ATIAVOGXBRWFPU-UHFFFAOYSA-N 2 2 346.475 2.002 10 30 EEEELP C=CCCC[N@H+]1CCOC2(CCN(C(=O)CCc3c[nH+]c[nH]3)CC2)C1 ZINC001281782229 1325451987 /nfs/dbraw/zinc/45/19/87/1325451987.db2.gz ATIAVOGXBRWFPU-UHFFFAOYSA-N 2 2 346.475 2.002 10 30 EEEELP C[N@@H+](CC#Cc1ccc(Cl)cc1)CCCNC(=O)Cc1c[nH]c[nH+]1 ZINC001316852437 1331935366 /nfs/dbraw/zinc/93/53/66/1331935366.db2.gz JQQUUKQDYGNTNW-UHFFFAOYSA-N 2 2 344.846 2.095 10 30 EEEELP C[N@H+](CC#Cc1ccc(Cl)cc1)CCCNC(=O)Cc1c[nH]c[nH+]1 ZINC001316852437 1331935370 /nfs/dbraw/zinc/93/53/70/1331935370.db2.gz JQQUUKQDYGNTNW-UHFFFAOYSA-N 2 2 344.846 2.095 10 30 EEEELP C=CCCC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001317842093 1332428413 /nfs/dbraw/zinc/42/84/13/1332428413.db2.gz LEPRQHYLAHZPDT-IRXDYDNUSA-N 2 2 330.476 2.192 10 30 EEEELP C=CCCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001317842093 1332428415 /nfs/dbraw/zinc/42/84/15/1332428415.db2.gz LEPRQHYLAHZPDT-IRXDYDNUSA-N 2 2 330.476 2.192 10 30 EEEELP C#CCC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001319805193 1332771923 /nfs/dbraw/zinc/77/19/23/1332771923.db2.gz HCEATIKHICPQSN-IAGOWNOFSA-N 2 2 342.487 2.002 10 30 EEEELP C=CCOCC[NH2+][C@H]1CCN(C(=O)c2cccc3[nH+]ccn32)[C@H](C)C1 ZINC001324070822 1333601766 /nfs/dbraw/zinc/60/17/66/1333601766.db2.gz BVSSTKXFPOAXDA-CVEARBPZSA-N 2 2 342.443 2.120 10 30 EEEELP C#CCN(C(=O)CCc1c[nH]c[nH+]1)C1CC[NH+](CC2CCC2)CC1 ZINC001324398062 1333674693 /nfs/dbraw/zinc/67/46/93/1333674693.db2.gz XYMHKVMXILVIEF-UHFFFAOYSA-N 2 2 328.460 2.069 10 30 EEEELP C#CCN(C(=O)CCc1c[nH+]c[nH]1)C1CC[NH+](CC2CCC2)CC1 ZINC001324398062 1333674699 /nfs/dbraw/zinc/67/46/99/1333674699.db2.gz XYMHKVMXILVIEF-UHFFFAOYSA-N 2 2 328.460 2.069 10 30 EEEELP C=CCC[C@@H](C)[N@H+]1C[C@H]2CN(C(=O)Cc3c[nH+]ccc3OC)C[C@H]2C1 ZINC001325753457 1333953526 /nfs/dbraw/zinc/95/35/26/1333953526.db2.gz KIKWRPLUCAQXMF-NXHRZFHOSA-N 2 2 343.471 2.378 10 30 EEEELP C=CCC[C@@H](C)[N@@H+]1C[C@H]2CN(C(=O)Cc3c[nH+]ccc3OC)C[C@H]2C1 ZINC001325753457 1333953529 /nfs/dbraw/zinc/95/35/29/1333953529.db2.gz KIKWRPLUCAQXMF-NXHRZFHOSA-N 2 2 343.471 2.378 10 30 EEEELP C=C(Cl)C[NH2+]CC[C@H]1CCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001326304107 1334064549 /nfs/dbraw/zinc/06/45/49/1334064549.db2.gz OLXWEQUBMGLOFK-GJZGRUSLSA-N 2 2 336.867 2.026 10 30 EEEELP CC#CC[N@@H+]1Cc2ccc(CNC(=O)[C@@H](F)C[NH+](CC)CC)cc2C1 ZINC001502650514 1342220875 /nfs/dbraw/zinc/22/08/75/1342220875.db2.gz CRVJBGWLXAJEBO-IBGZPJMESA-N 2 2 345.462 2.322 10 30 EEEELP C=C(C)C[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC001570041433 1343003713 /nfs/dbraw/zinc/00/37/13/1343003713.db2.gz LQKIJWGBUXNJON-ULQDDVLXSA-N 2 2 330.476 2.286 10 30 EEEELP C#CC[NH+]1CCC(C2(NC(=O)[C@@H](CC(C)C)n3cc[nH+]c3)CC2)CC1 ZINC001571668713 1343267777 /nfs/dbraw/zinc/26/77/77/1343267777.db2.gz BDNHXZPCWIBITH-GOSISDBHSA-N 2 2 342.487 2.464 10 30 EEEELP C=C(C)C[NH2+]Cc1nc2c(s1)CCN(C(=O)[C@H]1CCCC[N@H+]1C)C2 ZINC001657087096 1354321238 /nfs/dbraw/zinc/32/12/38/1354321238.db2.gz YBQLVPGHRCRHJQ-OAHLLOKOSA-N 2 2 348.516 2.178 10 30 EEEELP C=C(C)C[NH2+]Cc1nc2c(s1)CCN(C(=O)[C@H]1CCCC[N@@H+]1C)C2 ZINC001657087096 1354321243 /nfs/dbraw/zinc/32/12/43/1354321243.db2.gz YBQLVPGHRCRHJQ-OAHLLOKOSA-N 2 2 348.516 2.178 10 30 EEEELP CC#CC[NH2+][C@H]1CCC[C@H](NC(=O)Cc2cn3cccc(C)c3[nH+]2)C1 ZINC001662784914 1354845998 /nfs/dbraw/zinc/84/59/98/1354845998.db2.gz KRTCSULCRUSVDC-IRXDYDNUSA-N 2 2 338.455 2.226 10 30 EEEELP C=C(C)C[NH2+]CC[C@@H]1CCCCN1C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001667268168 1355693571 /nfs/dbraw/zinc/69/35/71/1355693571.db2.gz SZRCTVPTIVSHOD-SJORKVTESA-N 2 2 330.476 2.382 10 30 EEEELP CN(CCC[NH2+]CC#Cc1ccccc1)C(=O)c1cccc2[nH+]ccn21 ZINC001670174129 1356291183 /nfs/dbraw/zinc/29/11/83/1356291183.db2.gz PREUIECFGACREP-UHFFFAOYSA-N 2 2 346.434 2.438 10 30 EEEELP C=CC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001672377517 1356511689 /nfs/dbraw/zinc/51/16/89/1356511689.db2.gz XTSCUSJBTMEWEZ-QBPKDAKJSA-N 2 2 330.476 2.222 10 30 EEEELP C=CCC[C@@H](C)[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CCn4c[nH+]cc4C3)C[C@H]2C1 ZINC001699989117 1405641506 /nfs/dbraw/zinc/64/15/06/1405641506.db2.gz FCIHRLOUMZCOES-TVFCKZIOSA-N 2 2 342.487 2.190 10 30 EEEELP C=CCC[C@@H](C)[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CCn4c[nH+]cc4C3)C[C@H]2C1 ZINC001699989117 1405641514 /nfs/dbraw/zinc/64/15/14/1405641514.db2.gz FCIHRLOUMZCOES-TVFCKZIOSA-N 2 2 342.487 2.190 10 30 EEEELP N#Cc1ccc(C[NH+]2CCC([NH2+]CCOC3CCOCC3)CC2)cc1 ZINC000922935197 788372552 /nfs/dbraw/zinc/37/25/52/788372552.db2.gz SQPRWEOHHVYGSC-UHFFFAOYSA-N 2 2 343.471 2.308 10 30 EEEELP C[N@@H+]1C[C@]2(C)C[NH+](CCC(=O)Nc3sccc3C#N)C[C@]2(C)C1 ZINC000826798531 800419190 /nfs/dbraw/zinc/41/91/90/800419190.db2.gz IUPOMBGLLYNGBM-CALCHBBNSA-N 2 2 332.473 2.222 10 30 EEEELP C[N@H+]1C[C@]2(C)C[NH+](CCC(=O)Nc3sccc3C#N)C[C@]2(C)C1 ZINC000826798531 800419196 /nfs/dbraw/zinc/41/91/96/800419196.db2.gz IUPOMBGLLYNGBM-CALCHBBNSA-N 2 2 332.473 2.222 10 30 EEEELP C[NH+]1C[C@]2(C)C[N@H+](CCC(=O)Nc3sccc3C#N)C[C@]2(C)C1 ZINC000826798531 800419202 /nfs/dbraw/zinc/41/92/02/800419202.db2.gz IUPOMBGLLYNGBM-CALCHBBNSA-N 2 2 332.473 2.222 10 30 EEEELP C[NH+]1C[C@]2(C)C[N@@H+](CCC(=O)Nc3sccc3C#N)C[C@]2(C)C1 ZINC000826798531 800419207 /nfs/dbraw/zinc/41/92/07/800419207.db2.gz IUPOMBGLLYNGBM-CALCHBBNSA-N 2 2 332.473 2.222 10 30 EEEELP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCC[N@H+](C)Cc1ccc(C#N)cc1F ZINC001442603829 1096975437 /nfs/dbraw/zinc/97/54/37/1096975437.db2.gz WBBVJLHAARRSRT-GJZGRUSLSA-N 2 2 346.450 2.118 10 30 EEEELP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCC[N@@H+](C)Cc1ccc(C#N)cc1F ZINC001442603829 1096975444 /nfs/dbraw/zinc/97/54/44/1096975444.db2.gz WBBVJLHAARRSRT-GJZGRUSLSA-N 2 2 346.450 2.118 10 30 EEEELP COCC#CC[NH2+]C[C@H]1CCC[C@H]1NC(=O)c1c(C)cc(C)[nH+]c1C ZINC001496894177 1101680675 /nfs/dbraw/zinc/68/06/75/1101680675.db2.gz HVEKSIJXKDFTEX-QZTJIDSGSA-N 2 2 343.471 2.145 10 30 EEEELP C=C(C)C[N@@H+](C)CC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001494204577 1103691709 /nfs/dbraw/zinc/69/17/09/1103691709.db2.gz DPPZPMIFYSLGQI-IAGOWNOFSA-N 2 2 330.476 2.270 10 30 EEEELP C=C(C)C[N@H+](C)CC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001494204577 1103691721 /nfs/dbraw/zinc/69/17/21/1103691721.db2.gz DPPZPMIFYSLGQI-IAGOWNOFSA-N 2 2 330.476 2.270 10 30 EEEELP C=C(C)C[NH2+][C@H](C)C1CCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC001493831562 1108713534 /nfs/dbraw/zinc/71/35/34/1108713534.db2.gz OEGRQCVKWGDRLV-NVXWUHKLSA-N 2 2 330.476 2.238 10 30 EEEELP C=C(C)CC[N@@H+]1CCC[C@](CO)(NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001501331861 1113303218 /nfs/dbraw/zinc/30/32/18/1113303218.db2.gz QREJNWODBAMQPE-IBGZPJMESA-N 2 2 342.443 2.086 10 30 EEEELP C=C(C)CC[N@H+]1CCC[C@](CO)(NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001501331861 1113303221 /nfs/dbraw/zinc/30/32/21/1113303221.db2.gz QREJNWODBAMQPE-IBGZPJMESA-N 2 2 342.443 2.086 10 30 EEEELP C#CCC[NH2+]CC[C@@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001501596581 1113394307 /nfs/dbraw/zinc/39/43/07/1113394307.db2.gz FNJQMERRVLXCBZ-QGZVFWFLSA-N 2 2 336.439 2.337 10 30 EEEELP CN(CCC#N)C(=O)CC[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000281961085 464649280 /nfs/dbraw/zinc/64/92/80/464649280.db2.gz GDSSXEZYPAMEPP-MRXNPFEDSA-N 2 2 343.475 2.161 10 30 EEEELP CN(CCC#N)C(=O)CC[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000281961085 464649286 /nfs/dbraw/zinc/64/92/86/464649286.db2.gz GDSSXEZYPAMEPP-MRXNPFEDSA-N 2 2 343.475 2.161 10 30 EEEELP N#Cc1ccccc1OC[C@H](O)C[NH2+]C[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000600748794 468647066 /nfs/dbraw/zinc/64/70/66/468647066.db2.gz DRYOYZFTUXXDSN-RTBURBONSA-N 2 2 343.471 2.295 10 30 EEEELP N#Cc1ccccc1OC[C@H](O)C[NH2+]C[C@H]1CC[N@H+]1C1CCCCC1 ZINC000600748794 468647074 /nfs/dbraw/zinc/64/70/74/468647074.db2.gz DRYOYZFTUXXDSN-RTBURBONSA-N 2 2 343.471 2.295 10 30 EEEELP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)C3(C#N)CC4(CC4)C3)CC2)CC1 ZINC000601639421 468946679 /nfs/dbraw/zinc/94/66/79/468946679.db2.gz JYXIMKBYSMZHLY-UHFFFAOYSA-N 2 2 344.503 2.089 10 30 EEEELP CC[NH+]1CCC([N@H+]2CCCN(C(=O)C3(C#N)CC4(CC4)C3)CC2)CC1 ZINC000601639421 468946689 /nfs/dbraw/zinc/94/66/89/468946689.db2.gz JYXIMKBYSMZHLY-UHFFFAOYSA-N 2 2 344.503 2.089 10 30 EEEELP C=CC[C@]1(C(=O)NCc2ccc(N3CCCCC3)[nH+]c2)CCC[NH2+]1 ZINC000662675335 472199586 /nfs/dbraw/zinc/19/95/86/472199586.db2.gz LNGSBGFWERUTSU-LJQANCHMSA-N 2 2 328.460 2.386 10 30 EEEELP C=C(C)C[NH2+][C@H](C)[C@H]1CN(C(=O)c2ccn3c(C)c[nH+]c3c2)CCO1 ZINC001485636669 1191864927 /nfs/dbraw/zinc/86/49/27/1191864927.db2.gz XZZPEFHNKVZZQG-NVXWUHKLSA-N 2 2 342.443 2.038 10 30 EEEELP C=C(Cl)C[NH2+]CC[C@H]1[C@@H](C)CCCN1C(=O)Cc1c[nH+]cn1C ZINC001691309739 1177885616 /nfs/dbraw/zinc/88/56/16/1177885616.db2.gz VRBZVMMLWLFLSG-BBRMVZONSA-N 2 2 338.883 2.322 10 30 EEEELP C#CCC[N@@H+](C)CC1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)CC1 ZINC001267730543 1180319661 /nfs/dbraw/zinc/31/96/61/1180319661.db2.gz YSECUEPVPZPSDT-UHFFFAOYSA-N 2 2 338.455 2.450 10 30 EEEELP C#CCC[N@H+](C)CC1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)CC1 ZINC001267730543 1180319668 /nfs/dbraw/zinc/31/96/68/1180319668.db2.gz YSECUEPVPZPSDT-UHFFFAOYSA-N 2 2 338.455 2.450 10 30 EEEELP CC#CC[NH2+]C[C@H](CC(C)C)NC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001271261511 1186110257 /nfs/dbraw/zinc/11/02/57/1186110257.db2.gz MOKJQDUOHHYQFV-KRWDZBQOSA-N 2 2 326.444 2.400 10 30 EEEELP C=CCCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CCc1c[nH+]cn1C ZINC001272042611 1187231641 /nfs/dbraw/zinc/23/16/41/1187231641.db2.gz HKPBFJZOSSITNV-QZTJIDSGSA-N 2 2 330.476 2.384 10 30 EEEELP C=CCCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CCc1c[nH+]cn1C ZINC001272042611 1187231646 /nfs/dbraw/zinc/23/16/46/1187231646.db2.gz HKPBFJZOSSITNV-QZTJIDSGSA-N 2 2 330.476 2.384 10 30 EEEELP C[C@H](C[N@H+](C)CC#Cc1ccccc1)NC(=O)CCCn1cc[nH+]c1 ZINC001483427445 1190474756 /nfs/dbraw/zinc/47/47/56/1190474756.db2.gz MVAGAODYVJHZEV-GOSISDBHSA-N 2 2 338.455 2.152 10 30 EEEELP C[C@H](C[N@@H+](C)CC#Cc1ccccc1)NC(=O)CCCn1cc[nH+]c1 ZINC001483427445 1190474757 /nfs/dbraw/zinc/47/47/57/1190474757.db2.gz MVAGAODYVJHZEV-GOSISDBHSA-N 2 2 338.455 2.152 10 30 EEEELP C=CCC[NH2+]C[C@H](NC(=O)[C@H]1CCn2cc[nH+]c2C1)C1CCCC1 ZINC001484003296 1191152011 /nfs/dbraw/zinc/15/20/11/1191152011.db2.gz RXXNOXITNGRWCF-IRXDYDNUSA-N 2 2 330.476 2.286 10 30 EEEELP C=C(Cl)C[NH2+]CC[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001484537936 1191404325 /nfs/dbraw/zinc/40/43/25/1191404325.db2.gz QAFDOAYTTNTGDU-RRFJBIMHSA-N 2 2 336.867 2.104 10 30 EEEELP CCCCCCC[N@@H+]1CCOC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1C ZINC001484596445 1191436793 /nfs/dbraw/zinc/43/67/93/1191436793.db2.gz GMMKFCFZWSKPGB-ZWKOTPCHSA-N 2 2 339.524 2.258 10 30 EEEELP CCCCCCC[N@H+]1CCOC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1C ZINC001484596445 1191436794 /nfs/dbraw/zinc/43/67/94/1191436794.db2.gz GMMKFCFZWSKPGB-ZWKOTPCHSA-N 2 2 339.524 2.258 10 30 EEEELP CCCCCCC[NH+]1CCOC[C@@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001484596445 1191436796 /nfs/dbraw/zinc/43/67/96/1191436796.db2.gz GMMKFCFZWSKPGB-ZWKOTPCHSA-N 2 2 339.524 2.258 10 30 EEEELP CCCCCCC[NH+]1CCOC[C@@H]1CNC(=O)[C@H]1CCCC[N@H+]1C ZINC001484596445 1191436798 /nfs/dbraw/zinc/43/67/98/1191436798.db2.gz GMMKFCFZWSKPGB-ZWKOTPCHSA-N 2 2 339.524 2.258 10 30 EEEELP C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)C1(C[NH+](C)C)CCCCC1)CO2 ZINC001484799317 1191523397 /nfs/dbraw/zinc/52/33/97/1191523397.db2.gz JSCUPWXFGYZOKC-KRWDZBQOSA-N 2 2 349.519 2.034 10 30 EEEELP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H](C)c2cccc(C#N)c2O)CC1 ZINC000866261136 1201478988 /nfs/dbraw/zinc/47/89/88/1201478988.db2.gz ZVYZKRIABWTCLJ-CVEARBPZSA-N 2 2 330.476 2.188 10 30 EEEELP C#CC[N@H+](C)CCCNC(=O)N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1 ZINC000889105578 1204573087 /nfs/dbraw/zinc/57/30/87/1204573087.db2.gz NRPJLIBLZYFOGF-QAQDUYKDSA-N 2 2 343.475 2.059 10 30 EEEELP C#CC[N@@H+](C)CCCNC(=O)N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1 ZINC000889105578 1204573090 /nfs/dbraw/zinc/57/30/90/1204573090.db2.gz NRPJLIBLZYFOGF-QAQDUYKDSA-N 2 2 343.475 2.059 10 30 EEEELP C#CC[NH2+][C@H](CCN(C)C(=O)c1ccn2c(C)c[nH+]c2c1)C(C)C ZINC001276123455 1205786087 /nfs/dbraw/zinc/78/60/87/1205786087.db2.gz SNKMGBCITCBEGF-QGZVFWFLSA-N 2 2 326.444 2.352 10 30 EEEELP CC[C@@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)c1cccc(C#N)c1O ZINC000924629265 1206007082 /nfs/dbraw/zinc/00/70/82/1206007082.db2.gz NYQGZSVHHLRBSM-QGZVFWFLSA-N 2 2 330.476 2.331 10 30 EEEELP CC[N@H+](C)Cc1cc(O[C@H]2CC[NH+](C[C@H](C#N)CCC#N)C2)ccn1 ZINC000856592574 1293577007 /nfs/dbraw/zinc/57/70/07/1293577007.db2.gz KNTATQLQYIPWKU-LPHOPBHVSA-N 2 2 341.459 2.430 10 30 EEEELP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](C[C@H](C#N)CCC#N)C2)ccn1 ZINC000856592574 1293577012 /nfs/dbraw/zinc/57/70/12/1293577012.db2.gz KNTATQLQYIPWKU-LPHOPBHVSA-N 2 2 341.459 2.430 10 30 EEEELP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+](C[C@H](C#N)CCC#N)C2)ccn1 ZINC000856592574 1293577020 /nfs/dbraw/zinc/57/70/20/1293577020.db2.gz KNTATQLQYIPWKU-LPHOPBHVSA-N 2 2 341.459 2.430 10 30 EEEELP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](C[C@H](C#N)CCC#N)C2)ccn1 ZINC000856592574 1293577025 /nfs/dbraw/zinc/57/70/25/1293577025.db2.gz KNTATQLQYIPWKU-LPHOPBHVSA-N 2 2 341.459 2.430 10 30 EEEELP CC#CC[NH2+][C@H]1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C[C@@H]1CC ZINC001276740271 1297161586 /nfs/dbraw/zinc/16/15/86/1297161586.db2.gz OJIOGMLIZLWZQQ-IRXDYDNUSA-N 2 2 330.476 2.167 10 30 EEEELP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CCCC(C)C)[C@@H]1CC ZINC001264055772 1322600707 /nfs/dbraw/zinc/60/07/07/1322600707.db2.gz OBCBAXZPQPLYLC-OTWHNJEPSA-N 2 2 333.520 2.489 10 30 EEEELP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CCCC(C)C)[C@@H]1CC ZINC001264055772 1322600713 /nfs/dbraw/zinc/60/07/13/1322600713.db2.gz OBCBAXZPQPLYLC-OTWHNJEPSA-N 2 2 333.520 2.489 10 30 EEEELP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCCC(C)C)[C@@H]1CC ZINC001264055772 1322600720 /nfs/dbraw/zinc/60/07/20/1322600720.db2.gz OBCBAXZPQPLYLC-OTWHNJEPSA-N 2 2 333.520 2.489 10 30 EEEELP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCCC(C)C)[C@@H]1CC ZINC001264055772 1322600726 /nfs/dbraw/zinc/60/07/26/1322600726.db2.gz OBCBAXZPQPLYLC-OTWHNJEPSA-N 2 2 333.520 2.489 10 30 EEEELP C#CCC[NH2+][C@H](CCN(C)C(=O)Cc1cn2c([nH+]1)CCCC2)C(C)C ZINC001282551495 1325740456 /nfs/dbraw/zinc/74/04/56/1325740456.db2.gz UHFFDLQPRGGIAY-GOSISDBHSA-N 2 2 344.503 2.248 10 30 EEEELP C[C@H](CCC[NH2+]CC#Cc1ccccc1)NC(=O)CCc1c[nH]c[nH+]1 ZINC001283187202 1325949060 /nfs/dbraw/zinc/94/90/60/1325949060.db2.gz SLHMFYXDWXRJFU-QGZVFWFLSA-N 2 2 338.455 2.269 10 30 EEEELP C[C@H](CCC[NH2+]CC#Cc1ccccc1)NC(=O)CCc1c[nH+]c[nH]1 ZINC001283187202 1325949062 /nfs/dbraw/zinc/94/90/62/1325949062.db2.gz SLHMFYXDWXRJFU-QGZVFWFLSA-N 2 2 338.455 2.269 10 30 EEEELP C=CCC[N@@H+](C)CC1CCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC001317876582 1332439583 /nfs/dbraw/zinc/43/95/83/1332439583.db2.gz JQYQAZPLPMCSNL-QGZVFWFLSA-N 2 2 330.476 2.192 10 30 EEEELP C=CCC[N@H+](C)CC1CCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC001317876582 1332439585 /nfs/dbraw/zinc/43/95/85/1332439585.db2.gz JQYQAZPLPMCSNL-QGZVFWFLSA-N 2 2 330.476 2.192 10 30 EEEELP C#CCC[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001319805191 1332771708 /nfs/dbraw/zinc/77/17/08/1332771708.db2.gz HCEATIKHICPQSN-DLBZAZTESA-N 2 2 342.487 2.002 10 30 EEEELP C#CC[N@@H+](CCNC(=O)[C@H]1CCn2c[nH+]cc2C1)C1CCCCCC1 ZINC001323707944 1333521180 /nfs/dbraw/zinc/52/11/80/1333521180.db2.gz BQMGIUSSNXZORZ-KRWDZBQOSA-N 2 2 342.487 2.220 10 30 EEEELP C#CC[N@H+](CCNC(=O)[C@H]1CCn2c[nH+]cc2C1)C1CCCCCC1 ZINC001323707944 1333521183 /nfs/dbraw/zinc/52/11/83/1333521183.db2.gz BQMGIUSSNXZORZ-KRWDZBQOSA-N 2 2 342.487 2.220 10 30 EEEELP C=CC[NH2+][C@H]1CN(C(=O)CCCn2cc[nH+]c2)CC[C@@H]1C(F)(F)F ZINC001333020010 1335948733 /nfs/dbraw/zinc/94/87/33/1335948733.db2.gz BSKAZYZQJGEIFO-KBPBESRZSA-N 2 2 344.381 2.218 10 30 EEEELP CCC[N@@H+](CC#Cc1ccccc1)CCNC(=O)Cn1cc[nH+]c1C ZINC001567432398 1342760044 /nfs/dbraw/zinc/76/00/44/1342760044.db2.gz DEIDJHNBNCZNDZ-UHFFFAOYSA-N 2 2 338.455 2.071 10 30 EEEELP CCC[N@H+](CC#Cc1ccccc1)CCNC(=O)Cn1cc[nH+]c1C ZINC001567432398 1342760048 /nfs/dbraw/zinc/76/00/48/1342760048.db2.gz DEIDJHNBNCZNDZ-UHFFFAOYSA-N 2 2 338.455 2.071 10 30 EEEELP C#CC[N@H+](CC1CC1)C1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001569452431 1342873384 /nfs/dbraw/zinc/87/33/84/1342873384.db2.gz WMSJGTDEZXLDHK-MRXNPFEDSA-N 2 2 328.460 2.170 10 30 EEEELP C#CC[N@@H+](CC1CC1)C1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001569452431 1342873390 /nfs/dbraw/zinc/87/33/90/1342873390.db2.gz WMSJGTDEZXLDHK-MRXNPFEDSA-N 2 2 328.460 2.170 10 30 EEEELP C=CCC[NH2+][C@H](CCN(C)C(=O)[C@@H]1CCn2c[nH+]cc2C1)C(C)C ZINC001570777520 1343114380 /nfs/dbraw/zinc/11/43/80/1343114380.db2.gz RJJZPMMPCHNXHF-SJLPKXTDSA-N 2 2 332.492 2.484 10 30 EEEELP C#CCC[NH2+]C1(CNC(=O)CC)CC[NH+](Cc2ccccc2)CC1 ZINC001677372897 1357323239 /nfs/dbraw/zinc/32/32/39/1357323239.db2.gz ZDDQWBQNUKNCMQ-UHFFFAOYSA-N 2 2 327.472 2.160 10 30 EEEELP C#CCC[N@H+]1CC[C@@H](NC(=O)CCCn2cc[nH+]c2)CC(C)(C)C1 ZINC001657106344 1354328373 /nfs/dbraw/zinc/32/83/73/1354328373.db2.gz QKTWEWQQJRGTOY-QGZVFWFLSA-N 2 2 330.476 2.293 10 30 EEEELP C#CCC[N@@H+]1CC[C@@H](NC(=O)CCCn2cc[nH+]c2)CC(C)(C)C1 ZINC001657106344 1354328375 /nfs/dbraw/zinc/32/83/75/1354328375.db2.gz QKTWEWQQJRGTOY-QGZVFWFLSA-N 2 2 330.476 2.293 10 30 EEEELP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NCC[NH+](C)CC#Cc1ccccc1 ZINC001663287952 1354944336 /nfs/dbraw/zinc/94/43/36/1354944336.db2.gz DWGSNQDAVMAHEY-HXUWFJFHSA-N 2 2 341.499 2.349 10 30 EEEELP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NCC[NH+](C)CC#Cc1ccccc1 ZINC001663287952 1354944339 /nfs/dbraw/zinc/94/43/39/1354944339.db2.gz DWGSNQDAVMAHEY-HXUWFJFHSA-N 2 2 341.499 2.349 10 30 EEEELP CC(C)[NH+]1CCCC[C@@H]1C(=O)NCC[N@H+](C)CC#Cc1ccccc1 ZINC001663287952 1354944341 /nfs/dbraw/zinc/94/43/41/1354944341.db2.gz DWGSNQDAVMAHEY-HXUWFJFHSA-N 2 2 341.499 2.349 10 30 EEEELP CC(C)[NH+]1CCCC[C@@H]1C(=O)NCC[N@@H+](C)CC#Cc1ccccc1 ZINC001663287952 1354944343 /nfs/dbraw/zinc/94/43/43/1354944343.db2.gz DWGSNQDAVMAHEY-HXUWFJFHSA-N 2 2 341.499 2.349 10 30 EEEELP C=C(C)C[NH2+]C[C@H](NC(=O)[C@H]1CCc2[nH+]ccn2C1)C1CCCC1 ZINC001671535981 1356357781 /nfs/dbraw/zinc/35/77/81/1356357781.db2.gz JVYLLGHCYWHVDU-IRXDYDNUSA-N 2 2 330.476 2.286 10 30 EEEELP C[C@@H](NC(=O)Cc1[nH]cc[nH+]1)[C@H](C)[NH2+]CC#Cc1ccc(Cl)cc1 ZINC001674747721 1356888445 /nfs/dbraw/zinc/88/84/45/1356888445.db2.gz KOKMUZZPCLKYNZ-UONOGXRCSA-N 2 2 344.846 2.140 10 30 EEEELP CCO[C@H](C[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)C[NH+](C)C ZINC000922754044 801819091 /nfs/dbraw/zinc/81/90/91/801819091.db2.gz MCBSGWMOQMGLDZ-HXUWFJFHSA-N 2 2 344.503 2.079 10 30 EEEELP C=C(Cl)C[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001441442153 1095065132 /nfs/dbraw/zinc/06/51/32/1095065132.db2.gz QVPZSMLUXGJGTP-LSDHHAIUSA-N 2 2 336.867 2.025 10 30 EEEELP C=C(Cl)C[NH2+]C[C@@](C)(NC(=O)[C@@H]1CCc2c[nH+]cn2C1)C1CC1 ZINC001444129222 1098666402 /nfs/dbraw/zinc/66/64/02/1098666402.db2.gz KRKSYEKIIIJULZ-CXAGYDPISA-N 2 2 336.867 2.073 10 30 EEEELP C=CCOCC[NH2+][C@@H]1CCCCCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001479692083 1098755474 /nfs/dbraw/zinc/75/54/74/1098755474.db2.gz NVLRKBITQWOPND-IAGOWNOFSA-N 2 2 348.491 2.152 10 30 EEEELP C=CCOCC[NH2+][C@@H]1CCCCCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001479692083 1098755482 /nfs/dbraw/zinc/75/54/82/1098755482.db2.gz NVLRKBITQWOPND-IAGOWNOFSA-N 2 2 348.491 2.152 10 30 EEEELP C=CCCC[N@@H+]1CCO[C@H](CNC(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001495885479 1101717344 /nfs/dbraw/zinc/71/73/44/1101717344.db2.gz RJEWNYAJEPPUTB-RTBURBONSA-N 2 2 345.487 2.073 10 30 EEEELP C=CCCC[N@H+]1CCO[C@H](CNC(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001495885479 1101717353 /nfs/dbraw/zinc/71/73/53/1101717353.db2.gz RJEWNYAJEPPUTB-RTBURBONSA-N 2 2 345.487 2.073 10 30 EEEELP C=C(C)C[NH+]1CCC(NC(=O)[C@H](CC)[N@@H+]2CCO[C@H](CC)C2)CC1 ZINC001464911315 1110407365 /nfs/dbraw/zinc/40/73/65/1110407365.db2.gz XTJVOYKKMMNEHN-MSOLQXFVSA-N 2 2 337.508 2.033 10 30 EEEELP C=C(C)C[NH+]1CCC(NC(=O)[C@H](CC)[N@H+]2CCO[C@H](CC)C2)CC1 ZINC001464911315 1110407366 /nfs/dbraw/zinc/40/73/66/1110407366.db2.gz XTJVOYKKMMNEHN-MSOLQXFVSA-N 2 2 337.508 2.033 10 30 EEEELP C=C(C)C[NH+]1CCC(C)(NC(=O)Cc2cn3c([nH+]2)CCCC3)CC1 ZINC001499986763 1112567128 /nfs/dbraw/zinc/56/71/28/1112567128.db2.gz QLAROBJOYUXZLE-UHFFFAOYSA-N 2 2 330.476 2.309 10 30 EEEELP C[C@H](NC(=O)Cc1c[nH]c[nH+]1)[C@H](C)[NH2+]CC#Cc1ccccc1Cl ZINC001505699056 1114137835 /nfs/dbraw/zinc/13/78/35/1114137835.db2.gz UVBJQRPPIBJCQS-KBPBESRZSA-N 2 2 344.846 2.140 10 30 EEEELP CC(C)[N@H+](C)CC(=O)N[C@@H]1CCC[NH+](Cc2ccc(C#N)s2)[C@@H]1C ZINC001507384302 1115242825 /nfs/dbraw/zinc/24/28/25/1115242825.db2.gz DVZIUFCTYJNSMK-RHSMWYFYSA-N 2 2 348.516 2.429 10 30 EEEELP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CCC[NH+](Cc2ccc(C#N)s2)[C@@H]1C ZINC001507384302 1115242827 /nfs/dbraw/zinc/24/28/27/1115242827.db2.gz DVZIUFCTYJNSMK-RHSMWYFYSA-N 2 2 348.516 2.429 10 30 EEEELP CC(C)[NH+](C)CC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(C#N)s2)[C@@H]1C ZINC001507384302 1115242829 /nfs/dbraw/zinc/24/28/29/1115242829.db2.gz DVZIUFCTYJNSMK-RHSMWYFYSA-N 2 2 348.516 2.429 10 30 EEEELP CC(C)[NH+](C)CC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(C#N)s2)[C@@H]1C ZINC001507384302 1115242832 /nfs/dbraw/zinc/24/28/32/1115242832.db2.gz DVZIUFCTYJNSMK-RHSMWYFYSA-N 2 2 348.516 2.429 10 30 EEEELP C=C(C)C[NH2+]CC[C@@H]1CCCCN1C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001568387603 1124458148 /nfs/dbraw/zinc/45/81/48/1124458148.db2.gz ZRKQCKMLVDUYRM-IRXDYDNUSA-N 2 2 330.476 2.382 10 30 EEEELP CN(C)c1nc(N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cc[nH+]1 ZINC000077487017 462994276 /nfs/dbraw/zinc/99/42/76/462994276.db2.gz NIHKUIUEJLCSFT-UHFFFAOYSA-N 2 2 336.443 2.127 10 30 EEEELP CN(C)c1nc(N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)cc[nH+]1 ZINC000077487017 462994281 /nfs/dbraw/zinc/99/42/81/462994281.db2.gz NIHKUIUEJLCSFT-UHFFFAOYSA-N 2 2 336.443 2.127 10 30 EEEELP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)Nc2oc(C)c(C)c2C#N)[C@H](C)C1 ZINC000125774434 463577238 /nfs/dbraw/zinc/57/72/38/463577238.db2.gz OXVGZNGESRPEOX-WBMJQRKESA-N 2 2 332.448 2.369 10 30 EEEELP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)Nc2oc(C)c(C)c2C#N)[C@H](C)C1 ZINC000125774434 463577244 /nfs/dbraw/zinc/57/72/44/463577244.db2.gz OXVGZNGESRPEOX-WBMJQRKESA-N 2 2 332.448 2.369 10 30 EEEELP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)Nc2oc(C)c(C)c2C#N)[C@H](C)C1 ZINC000125774434 463577248 /nfs/dbraw/zinc/57/72/48/463577248.db2.gz OXVGZNGESRPEOX-WBMJQRKESA-N 2 2 332.448 2.369 10 30 EEEELP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)Nc2oc(C)c(C)c2C#N)[C@H](C)C1 ZINC000125774434 463577253 /nfs/dbraw/zinc/57/72/53/463577253.db2.gz OXVGZNGESRPEOX-WBMJQRKESA-N 2 2 332.448 2.369 10 30 EEEELP C=CCc1ccc(OC[C@@H](O)C[NH+]2CCC([NH+](C)C)CC2)c(OC)c1 ZINC000193811767 463743475 /nfs/dbraw/zinc/74/34/75/463743475.db2.gz JGUFKUOBYRZYJU-SFHVURJKSA-N 2 2 348.487 2.189 10 30 EEEELP C[C@@H](c1cccc(F)c1)[NH+]1CCN(C(=O)[C@H]([NH3+])CCCCC#N)CC1 ZINC000594435767 468585655 /nfs/dbraw/zinc/58/56/55/468585655.db2.gz KCPFQMFCMTWDCP-MAUKXSAKSA-N 2 2 346.450 2.442 10 30 EEEELP N#CCCCC[C@@H]([NH3+])C(=O)NCc1ccc(N2CCCCCC2)[nH+]c1 ZINC000594440300 468589155 /nfs/dbraw/zinc/58/91/55/468589155.db2.gz BQCSWYXZHKOSBD-QGZVFWFLSA-N 2 2 343.475 2.489 10 30 EEEELP CC[C@@H](Cn1cncn1)[NH2+]C1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593719927 469107134 /nfs/dbraw/zinc/10/71/34/469107134.db2.gz DKEDZQGJCFICCT-SFHVURJKSA-N 2 2 338.459 2.183 10 30 EEEELP N#CCCn1cc(C[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)c(-c2ccncc2)n1 ZINC000564418060 469253019 /nfs/dbraw/zinc/25/30/19/469253019.db2.gz GONKQLYGRBLPKI-INIZCTEOSA-N 2 2 347.426 2.229 10 30 EEEELP N#CCCn1cc(C[NH2+][C@H]2CCc3[nH]c[nH+]c3C2)c(-c2ccncc2)n1 ZINC000564418060 469253027 /nfs/dbraw/zinc/25/30/27/469253027.db2.gz GONKQLYGRBLPKI-INIZCTEOSA-N 2 2 347.426 2.229 10 30 EEEELP C=CCc1cc(C[NH+]2CCC([N@@H+]3CC[C@@H](O)C3)CC2)cc(OC)c1O ZINC000668740296 472246997 /nfs/dbraw/zinc/24/69/97/472246997.db2.gz HREUTSQPIGBWHT-GOSISDBHSA-N 2 2 346.471 2.160 10 30 EEEELP C=CCc1cc(C[NH+]2CCC([N@H+]3CC[C@@H](O)C3)CC2)cc(OC)c1O ZINC000668740296 472247002 /nfs/dbraw/zinc/24/70/02/472247002.db2.gz HREUTSQPIGBWHT-GOSISDBHSA-N 2 2 346.471 2.160 10 30 EEEELP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCCC[C@@H]2c2ccc(F)cc2)CC1 ZINC000752324420 577769174 /nfs/dbraw/zinc/76/91/74/577769174.db2.gz DIQVZEMQGXQAEW-LJQANCHMSA-N 2 2 343.446 2.130 10 30 EEEELP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCCC[C@@H]2c2ccc(F)cc2)CC1 ZINC000752324420 577769175 /nfs/dbraw/zinc/76/91/75/577769175.db2.gz DIQVZEMQGXQAEW-LJQANCHMSA-N 2 2 343.446 2.130 10 30 EEEELP C=C(Cl)C[N@H+]1CCC[C@@H]1CCCNC(=O)CCc1[nH+]ccn1C ZINC001267170808 1178397903 /nfs/dbraw/zinc/39/79/03/1178397903.db2.gz ABLVTQQNQYTGSX-HNNXBMFYSA-N 2 2 338.883 2.466 10 30 EEEELP C=C(Cl)C[N@@H+]1CCC[C@@H]1CCCNC(=O)CCc1[nH+]ccn1C ZINC001267170808 1178397907 /nfs/dbraw/zinc/39/79/07/1178397907.db2.gz ABLVTQQNQYTGSX-HNNXBMFYSA-N 2 2 338.883 2.466 10 30 EEEELP C=C(C)C[NH2+][C@H](C)C1CCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC001481334466 1181058188 /nfs/dbraw/zinc/05/81/88/1181058188.db2.gz LNXQLAMKCXESFD-WBVHZDCISA-N 2 2 330.476 2.238 10 30 EEEELP C=CCCC[NH2+][C@@H](C)[C@H]1CCN(C(=O)Cc2c[nH+]ccc2OC)C1 ZINC001484344762 1191312526 /nfs/dbraw/zinc/31/25/26/1191312526.db2.gz PMJLTKDGAJMKTP-HOTGVXAUSA-N 2 2 331.460 2.426 10 30 EEEELP C#CC[N@H+]1CC[C@@H](NC(=O)[C@H](CC(C)C)n2cc[nH+]c2)C(C)(C)C1 ZINC001484936335 1191580075 /nfs/dbraw/zinc/58/00/75/1191580075.db2.gz ICYUINVIVOOINJ-DLBZAZTESA-N 2 2 330.476 2.320 10 30 EEEELP C#CC[N@@H+]1CC[C@@H](NC(=O)[C@H](CC(C)C)n2cc[nH+]c2)C(C)(C)C1 ZINC001484936335 1191580077 /nfs/dbraw/zinc/58/00/77/1191580077.db2.gz ICYUINVIVOOINJ-DLBZAZTESA-N 2 2 330.476 2.320 10 30 EEEELP C=CCCC[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001485064155 1191633824 /nfs/dbraw/zinc/63/38/24/1191633824.db2.gz ZTBGGPNGUQFLFQ-IRXDYDNUSA-N 2 2 330.476 2.335 10 30 EEEELP C=CCCC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001485064155 1191633826 /nfs/dbraw/zinc/63/38/26/1191633826.db2.gz ZTBGGPNGUQFLFQ-IRXDYDNUSA-N 2 2 330.476 2.335 10 30 EEEELP C=CCCC[NH2+][C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CC[C@H]1C(F)(F)F ZINC001486452958 1193974266 /nfs/dbraw/zinc/97/42/66/1193974266.db2.gz RXKPMZHTDXVZKP-OLZOCXBDSA-N 2 2 344.381 2.287 10 30 EEEELP N#CC1(C[C@@H](O)C[NH2+]C[C@@H]2CC[N@@H+]2C2CCCCCC2)CCOCC1 ZINC000872235981 1198104426 /nfs/dbraw/zinc/10/44/26/1198104426.db2.gz MKBSIJXCWCLPOU-RBUKOAKNSA-N 2 2 349.519 2.444 10 30 EEEELP N#CC1(C[C@@H](O)C[NH2+]C[C@@H]2CC[N@H+]2C2CCCCCC2)CCOCC1 ZINC000872235981 1198104428 /nfs/dbraw/zinc/10/44/28/1198104428.db2.gz MKBSIJXCWCLPOU-RBUKOAKNSA-N 2 2 349.519 2.444 10 30 EEEELP C[C@H](C#N)OCC[N@@H+]1CCC[C@@]2(CCC[NH+](CCO[C@@H](C)C#N)C2)C1 ZINC000810054211 1199225778 /nfs/dbraw/zinc/22/57/78/1199225778.db2.gz IULDMBOVHQKTCS-CEXWTWQISA-N 2 2 348.491 2.022 10 30 EEEELP C[C@H](C#N)OCC[N@H+]1CCC[C@@]2(CCC[NH+](CCO[C@@H](C)C#N)C2)C1 ZINC000810054211 1199225779 /nfs/dbraw/zinc/22/57/79/1199225779.db2.gz IULDMBOVHQKTCS-CEXWTWQISA-N 2 2 348.491 2.022 10 30 EEEELP C[C@H](C#N)OCC[NH+]1CCC[C@@]2(CCC[N@H+](CCO[C@@H](C)C#N)C2)C1 ZINC000810054211 1199225781 /nfs/dbraw/zinc/22/57/81/1199225781.db2.gz IULDMBOVHQKTCS-CEXWTWQISA-N 2 2 348.491 2.022 10 30 EEEELP C[C@H](C#N)OCC[NH+]1CCC[C@@]2(CCC[N@@H+](CCO[C@@H](C)C#N)C2)C1 ZINC000810054211 1199225782 /nfs/dbraw/zinc/22/57/82/1199225782.db2.gz IULDMBOVHQKTCS-CEXWTWQISA-N 2 2 348.491 2.022 10 30 EEEELP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)c1cccc(C#N)c1O ZINC000866307198 1201489807 /nfs/dbraw/zinc/48/98/07/1201489807.db2.gz UJRWTYMBDQSHGF-MORSLUCNSA-N 2 2 329.444 2.292 10 30 EEEELP C=CCOCC[NH2+]C[C@@H]1CCCCN1C(=O)c1cccc2[nH+]ccn21 ZINC001275013641 1205232429 /nfs/dbraw/zinc/23/24/29/1205232429.db2.gz SXFDBQMWZOCOKL-INIZCTEOSA-N 2 2 342.443 2.121 10 30 EEEELP CC#CC[NH2+]C[C@@H](CCCC)NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001276255974 1205858254 /nfs/dbraw/zinc/85/82/54/1205858254.db2.gz SFOXUDJEOOZFLU-MRXNPFEDSA-N 2 2 330.476 2.050 10 30 EEEELP CC#CC[NH2+]C[C@H](CCCC)NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001276255973 1205858391 /nfs/dbraw/zinc/85/83/91/1205858391.db2.gz SFOXUDJEOOZFLU-INIZCTEOSA-N 2 2 330.476 2.050 10 30 EEEELP C=C(C)C[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)Cc1[nH]c[nH+]c1C ZINC001273824871 1286477373 /nfs/dbraw/zinc/47/73/73/1286477373.db2.gz LEXXPZYTFPRQKW-GOSISDBHSA-N 2 2 338.455 2.380 10 30 EEEELP C=C(C)C[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)Cc1[nH]c[nH+]c1C ZINC001273824871 1286477382 /nfs/dbraw/zinc/47/73/82/1286477382.db2.gz LEXXPZYTFPRQKW-GOSISDBHSA-N 2 2 338.455 2.380 10 30 EEEELP C=CCOCC[NH2+]C[C@@H]1CCCN1C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001277851886 1304904351 /nfs/dbraw/zinc/90/43/51/1304904351.db2.gz PYCCYFPLJCGKOV-KRWDZBQOSA-N 2 2 342.443 2.040 10 30 EEEELP C=CCn1c([C@@H]2CCCC[NH+]2C)nnc1N1CCC[N@@H+](CC)CC1 ZINC001262948733 1322402748 /nfs/dbraw/zinc/40/27/48/1322402748.db2.gz VJKYGXBAXIGXPK-INIZCTEOSA-N 2 2 332.496 2.153 10 30 EEEELP C=CCn1c([C@@H]2CCCC[NH+]2C)nnc1N1CCC[N@H+](CC)CC1 ZINC001262948733 1322402749 /nfs/dbraw/zinc/40/27/49/1322402749.db2.gz VJKYGXBAXIGXPK-INIZCTEOSA-N 2 2 332.496 2.153 10 30 EEEELP C=CCn1c([C@@H]2CCCC[N@@H+]2C)nnc1N1CCC[NH+](CC)CC1 ZINC001262948733 1322402750 /nfs/dbraw/zinc/40/27/50/1322402750.db2.gz VJKYGXBAXIGXPK-INIZCTEOSA-N 2 2 332.496 2.153 10 30 EEEELP C=CCn1c([C@@H]2CCCC[N@H+]2C)nnc1N1CCC[NH+](CC)CC1 ZINC001262948733 1322402753 /nfs/dbraw/zinc/40/27/53/1322402753.db2.gz VJKYGXBAXIGXPK-INIZCTEOSA-N 2 2 332.496 2.153 10 30 EEEELP O=C(NC[C@H]1C[C@H]([NH2+]CC#Cc2ccccc2)C1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001264424750 1322698316 /nfs/dbraw/zinc/69/83/16/1322698316.db2.gz SSPSCPXGKAJUSY-NCXUSEDFSA-N 2 2 348.450 2.049 10 30 EEEELP O=C(NC[C@H]1C[C@H]([NH2+]CC#Cc2ccccc2)C1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001264424750 1322698322 /nfs/dbraw/zinc/69/83/22/1322698322.db2.gz SSPSCPXGKAJUSY-NCXUSEDFSA-N 2 2 348.450 2.049 10 30 EEEELP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](CCCC(C)(C)C)C1 ZINC001265217241 1322990575 /nfs/dbraw/zinc/99/05/75/1322990575.db2.gz SUTVQKBCRIEGMS-MSOLQXFVSA-N 2 2 333.520 2.491 10 30 EEEELP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](CCCC(C)(C)C)C1 ZINC001265217241 1322990577 /nfs/dbraw/zinc/99/05/77/1322990577.db2.gz SUTVQKBCRIEGMS-MSOLQXFVSA-N 2 2 333.520 2.491 10 30 EEEELP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC[NH+](CCCC(C)(C)C)C1 ZINC001265217241 1322990579 /nfs/dbraw/zinc/99/05/79/1322990579.db2.gz SUTVQKBCRIEGMS-MSOLQXFVSA-N 2 2 333.520 2.491 10 30 EEEELP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC[NH+](CCCC(C)(C)C)C1 ZINC001265217241 1322990580 /nfs/dbraw/zinc/99/05/80/1322990580.db2.gz SUTVQKBCRIEGMS-MSOLQXFVSA-N 2 2 333.520 2.491 10 30 EEEELP C=C(C)C[N@@H+]1CCC[C@@H]1CCCNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001266222371 1323794410 /nfs/dbraw/zinc/79/44/10/1323794410.db2.gz BARCCLBDOYDCRQ-IRXDYDNUSA-N 2 2 330.476 2.382 10 30 EEEELP C=C(C)C[N@H+]1CCC[C@@H]1CCCNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001266222371 1323794412 /nfs/dbraw/zinc/79/44/12/1323794412.db2.gz BARCCLBDOYDCRQ-IRXDYDNUSA-N 2 2 330.476 2.382 10 30 EEEELP C[C@H](CC[NH2+]CC#Cc1ccccc1Cl)NC(=O)Cn1cc[nH+]c1 ZINC001320652224 1332929850 /nfs/dbraw/zinc/92/98/50/1332929850.db2.gz JPUPXCTZSUKUNX-OAHLLOKOSA-N 2 2 344.846 2.073 10 30 EEEELP C#CC[NH2+]C[C@H](NC(=O)[C@H](CC(C)C)n1cc[nH+]c1)C1CCCC1 ZINC001324483305 1333692737 /nfs/dbraw/zinc/69/27/37/1333692737.db2.gz QLPPYHLKJLFCHZ-ROUUACIJSA-N 2 2 330.476 2.368 10 30 EEEELP C=CCCCCC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001569363722 1342859001 /nfs/dbraw/zinc/85/90/01/1342859001.db2.gz ZIMAPNKRQJRXAN-IAGOWNOFSA-N 2 2 330.476 2.382 10 30 EEEELP C=CCCCCC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001569363722 1342859007 /nfs/dbraw/zinc/85/90/07/1342859007.db2.gz ZIMAPNKRQJRXAN-IAGOWNOFSA-N 2 2 330.476 2.382 10 30 EEEELP C#CCC[NH2+]C[C@H]1CC[C@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC001570040213 1343003250 /nfs/dbraw/zinc/00/32/50/1343003250.db2.gz MJKRGIUVFYTBOQ-QAQDUYKDSA-N 2 2 330.476 2.215 10 30 EEEELP CCCCCCC[NH+]1CC2(C1)CN(C(=O)[C@@H](CC)[NH+](C)C)CCO2 ZINC001570224861 1343036242 /nfs/dbraw/zinc/03/62/42/1343036242.db2.gz MVKNXTUOTRCWHH-QGZVFWFLSA-N 2 2 339.524 2.210 10 30 EEEELP COCC#CC[NH2+]C[C@@H](NC(=O)c1c(C)cc(C)[nH+]c1C)C(C)(C)C ZINC001677266499 1357304564 /nfs/dbraw/zinc/30/45/64/1357304564.db2.gz HYRCUWZJLDWMOX-QGZVFWFLSA-N 2 2 345.487 2.391 10 30 EEEELP CC[N@@H+](CC#Cc1ccccc1)CCCNC(=O)CCc1c[nH]c[nH+]1 ZINC001649436272 1353502965 /nfs/dbraw/zinc/50/29/65/1353502965.db2.gz DFOAQRBMKFQHJJ-UHFFFAOYSA-N 2 2 338.455 2.222 10 30 EEEELP CC[N@H+](CC#Cc1ccccc1)CCCNC(=O)CCc1c[nH]c[nH+]1 ZINC001649436272 1353502969 /nfs/dbraw/zinc/50/29/69/1353502969.db2.gz DFOAQRBMKFQHJJ-UHFFFAOYSA-N 2 2 338.455 2.222 10 30 EEEELP C=CC[N@H+]1CCC[C@@H]2[C@@H](NC(=O)CCc3[nH+]ccn3C)C(C)(C)[C@@H]21 ZINC001656653395 1354258509 /nfs/dbraw/zinc/25/85/09/1354258509.db2.gz WYCCYTCKGMKPKH-ZTFGCOKTSA-N 2 2 330.476 2.144 10 30 EEEELP C=CC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)CCc3[nH+]ccn3C)C(C)(C)[C@@H]21 ZINC001656653395 1354258512 /nfs/dbraw/zinc/25/85/12/1354258512.db2.gz WYCCYTCKGMKPKH-ZTFGCOKTSA-N 2 2 330.476 2.144 10 30 EEEELP C=CCOCC[NH+]1CCC(C)(NC(=O)c2cccc3[nH+]ccn32)CC1 ZINC001671418691 1356336113 /nfs/dbraw/zinc/33/61/13/1356336113.db2.gz DLRUPBCLHLBUBZ-UHFFFAOYSA-N 2 2 342.443 2.121 10 30 EEEELP C=CCC[N@H+]1CCC[C@@](C)(CNC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001671891331 1356431994 /nfs/dbraw/zinc/43/19/94/1356431994.db2.gz ANBXKGUJWWIFTJ-APWZRJJASA-N 2 2 330.476 2.240 10 30 EEEELP C=CCC[N@@H+]1CCC[C@@](C)(CNC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001671891331 1356431995 /nfs/dbraw/zinc/43/19/95/1356431995.db2.gz ANBXKGUJWWIFTJ-APWZRJJASA-N 2 2 330.476 2.240 10 30 EEEELP CC#CC[NH2+]CC[C@H]1CCN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001672809436 1356589353 /nfs/dbraw/zinc/58/93/53/1356589353.db2.gz BUFJXIMJVZDAIF-ROUUACIJSA-N 2 2 330.476 2.322 10 30 EEEELP C#CC[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001692119895 1404981327 /nfs/dbraw/zinc/98/13/27/1404981327.db2.gz ORXIURXTGFCKLC-FGTMMUONSA-N 2 2 330.476 2.464 10 30 EEEELP C[C@H](CC(=O)N(C)C[C@H](C)[NH2+]Cc1ccccc1C#N)n1cc[nH+]c1 ZINC001448737301 1093808819 /nfs/dbraw/zinc/80/88/19/1093808819.db2.gz SBSRGFGRZCZZLA-JKSUJKDBSA-N 2 2 339.443 2.343 10 30 EEEELP C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001443842283 1098355779 /nfs/dbraw/zinc/35/57/79/1098355779.db2.gz KGWDARPRDMGQHP-HZPDHXFCSA-N 2 2 327.900 2.392 10 30 EEEELP C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001443842283 1098355787 /nfs/dbraw/zinc/35/57/87/1098355787.db2.gz KGWDARPRDMGQHP-HZPDHXFCSA-N 2 2 327.900 2.392 10 30 EEEELP C[C@@H]1[C@@H](NC(=O)CCC[NH+](C)C)CC[N@@H+]1Cc1cc(F)ccc1C#N ZINC001479716714 1098799776 /nfs/dbraw/zinc/79/97/76/1098799776.db2.gz QBZOKLZRUTUOPA-KDOFPFPSSA-N 2 2 346.450 2.118 10 30 EEEELP C[C@@H]1[C@@H](NC(=O)CCC[NH+](C)C)CC[N@H+]1Cc1cc(F)ccc1C#N ZINC001479716714 1098799785 /nfs/dbraw/zinc/79/97/85/1098799785.db2.gz QBZOKLZRUTUOPA-KDOFPFPSSA-N 2 2 346.450 2.118 10 30 EEEELP C=CC[N@H+](C)CCC1CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC001496505085 1101101703 /nfs/dbraw/zinc/10/17/03/1101101703.db2.gz RYRWVNAKXNSQGI-KRWDZBQOSA-N 2 2 330.476 2.192 10 30 EEEELP C=CC[N@@H+](C)CCC1CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC001496505085 1101101706 /nfs/dbraw/zinc/10/17/06/1101101706.db2.gz RYRWVNAKXNSQGI-KRWDZBQOSA-N 2 2 330.476 2.192 10 30 EEEELP CCCCCCC[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001495861153 1101686292 /nfs/dbraw/zinc/68/62/92/1101686292.db2.gz UBAWBMPWOLETFT-MSOLQXFVSA-N 2 2 339.524 2.258 10 30 EEEELP CCCCCCC[N@H+]1CCO[C@H](CNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001495861153 1101686301 /nfs/dbraw/zinc/68/63/01/1101686301.db2.gz UBAWBMPWOLETFT-MSOLQXFVSA-N 2 2 339.524 2.258 10 30 EEEELP CCCCCCC[NH+]1CCO[C@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001495861153 1101686305 /nfs/dbraw/zinc/68/63/05/1101686305.db2.gz UBAWBMPWOLETFT-MSOLQXFVSA-N 2 2 339.524 2.258 10 30 EEEELP CCCCCCC[NH+]1CCO[C@H](CNC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001495861153 1101686308 /nfs/dbraw/zinc/68/63/08/1101686308.db2.gz UBAWBMPWOLETFT-MSOLQXFVSA-N 2 2 339.524 2.258 10 30 EEEELP C=CCC[NH2+]C1(CNC(=O)Cc2cn3c([nH+]2)CCCC3)CCCC1 ZINC001495913671 1101756992 /nfs/dbraw/zinc/75/69/92/1101756992.db2.gz CLCQPWPPFCYHNS-UHFFFAOYSA-N 2 2 330.476 2.357 10 30 EEEELP CC#CC[NH2+][C@H](C)[C@H]1CCN(C(=O)Cc2cn3cccc(C)c3[nH+]2)C1 ZINC001501075979 1113190181 /nfs/dbraw/zinc/19/01/81/1113190181.db2.gz KPLJBGJOXBFYIW-SJORKVTESA-N 2 2 338.455 2.035 10 30 EEEELP C=CCOCC[N@H+]1CC[C@@H](NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)C(C)(C)C1 ZINC001502833892 1113826395 /nfs/dbraw/zinc/82/63/95/1113826395.db2.gz BFQZFOJWDFWFTR-NVXWUHKLSA-N 2 2 348.491 2.008 10 30 EEEELP C=CCOCC[N@@H+]1CC[C@@H](NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)C(C)(C)C1 ZINC001502833892 1113826397 /nfs/dbraw/zinc/82/63/97/1113826397.db2.gz BFQZFOJWDFWFTR-NVXWUHKLSA-N 2 2 348.491 2.008 10 30 EEEELP C=CCOCC[N@H+]1CC[C@@H](NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)C(C)(C)C1 ZINC001502833892 1113826401 /nfs/dbraw/zinc/82/64/01/1113826401.db2.gz BFQZFOJWDFWFTR-NVXWUHKLSA-N 2 2 348.491 2.008 10 30 EEEELP C=CCOCC[N@@H+]1CC[C@@H](NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)C(C)(C)C1 ZINC001502833892 1113826404 /nfs/dbraw/zinc/82/64/04/1113826404.db2.gz BFQZFOJWDFWFTR-NVXWUHKLSA-N 2 2 348.491 2.008 10 30 EEEELP C=C(Br)C[NH+]1CC[C@@H](NC(=O)C[N@H+](C)C(C)C)C[C@H]1C ZINC001503023122 1113872059 /nfs/dbraw/zinc/87/20/59/1113872059.db2.gz KHULZGBDAJTEAC-ZIAGYGMSSA-N 2 2 346.313 2.204 10 30 EEEELP C=C(Br)C[N@H+]1CC[C@@H](NC(=O)C[NH+](C)C(C)C)C[C@H]1C ZINC001503023122 1113872062 /nfs/dbraw/zinc/87/20/62/1113872062.db2.gz KHULZGBDAJTEAC-ZIAGYGMSSA-N 2 2 346.313 2.204 10 30 EEEELP C=C(Br)C[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)C(C)C)C[C@H]1C ZINC001503023122 1113872065 /nfs/dbraw/zinc/87/20/65/1113872065.db2.gz KHULZGBDAJTEAC-ZIAGYGMSSA-N 2 2 346.313 2.204 10 30 EEEELP C=C(Br)C[NH+]1CC[C@@H](NC(=O)C[N@@H+](C)C(C)C)C[C@H]1C ZINC001503023122 1113872055 /nfs/dbraw/zinc/87/20/55/1113872055.db2.gz KHULZGBDAJTEAC-ZIAGYGMSSA-N 2 2 346.313 2.204 10 30 EEEELP C=CCCC[N@H+]1CC[C@H]2CN(C(=O)CCc3c[nH+]cn3C)CC[C@H]21 ZINC001568514834 1124577034 /nfs/dbraw/zinc/57/70/34/1124577034.db2.gz CLKKKYBQAJXTDO-FUHWJXTLSA-N 2 2 330.476 2.242 10 30 EEEELP C=CCCC[N@@H+]1CC[C@H]2CN(C(=O)CCc3c[nH+]cn3C)CC[C@H]21 ZINC001568514834 1124577040 /nfs/dbraw/zinc/57/70/40/1124577040.db2.gz CLKKKYBQAJXTDO-FUHWJXTLSA-N 2 2 330.476 2.242 10 30 EEEELP N#Cc1ccsc1N1CC[C@H]([NH+]2CCC(c3c[nH]c[nH+]3)CC2)C1=O ZINC000374208798 154003323 /nfs/dbraw/zinc/00/33/23/154003323.db2.gz NFLFRFRCVQWGBF-HNNXBMFYSA-N 2 2 341.440 2.328 10 30 EEEELP C=C(C)C[NH2+]Cc1cn(CC[NH+]2CCC([NH+]3CCCC3)CC2)nc1C ZINC000065407021 462766340 /nfs/dbraw/zinc/76/63/40/462766340.db2.gz NZUFPKLHRPIMTJ-UHFFFAOYSA-N 3 2 345.535 2.417 10 30 EEEELP CC(C)(C)NC(=O)CO[NH+]=C(N)c1cccc(C[NH+]2CCCCC2)c1 ZINC000068877357 463186037 /nfs/dbraw/zinc/18/60/37/463186037.db2.gz ZFNALBFQQZDHFC-UHFFFAOYSA-N 2 2 346.475 2.224 10 30 EEEELP CC(C)[NH+]1CCC(NC(=O)NCc2[nH+]ccn2CC(F)(F)F)CC1 ZINC000330533937 465696795 /nfs/dbraw/zinc/69/67/95/465696795.db2.gz UKETVVZNGKZWIR-UHFFFAOYSA-N 2 2 347.385 2.322 10 30 EEEELP C=CCOc1ccc(C[NH2+]C[C@@H]2CCCC[N@@H+]2CCO)cc1OC ZINC000449392659 467636769 /nfs/dbraw/zinc/63/67/69/467636769.db2.gz KQNVPLSTRPZMMY-KRWDZBQOSA-N 2 2 334.460 2.196 10 30 EEEELP C=CCOc1ccc(C[NH2+]C[C@@H]2CCCC[N@H+]2CCO)cc1OC ZINC000449392659 467636771 /nfs/dbraw/zinc/63/67/71/467636771.db2.gz KQNVPLSTRPZMMY-KRWDZBQOSA-N 2 2 334.460 2.196 10 30 EEEELP Cc1[nH+]c2ccccc2n1CC[NH2+]C[C@H](O)CC1(C#N)CCOCC1 ZINC000600716175 468631119 /nfs/dbraw/zinc/63/11/19/468631119.db2.gz WWSVVQCWVLSTHK-MRXNPFEDSA-N 2 2 342.443 2.006 10 30 EEEELP CC1(C)C[NH+](CC(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)C1 ZINC000565193795 469268747 /nfs/dbraw/zinc/26/87/47/469268747.db2.gz HMAPWHOIATVCRZ-UHFFFAOYSA-N 2 2 340.471 2.003 10 30 EEEELP C=C[C@@H]1OCC[C@H]1C[NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000631161460 470083571 /nfs/dbraw/zinc/08/35/71/470083571.db2.gz JZPMRLRBKCWUFP-ICSRJNTNSA-N 2 2 346.471 2.078 10 30 EEEELP C#CC[NH+]1CCN(C(=O)C[NH2+][C@@H]2CCCC[C@H]2c2ccccc2)CC1 ZINC000776484160 577460628 /nfs/dbraw/zinc/46/06/28/577460628.db2.gz MQWUCLKNKIZQKO-VQTJNVASSA-N 2 2 339.483 2.080 10 30 EEEELP C#CC[NH+]1CCN(C(=O)C[N@@H+](CCCC)Cc2ccccc2F)CC1 ZINC000748815028 577967346 /nfs/dbraw/zinc/96/73/46/577967346.db2.gz KEVOZLKNUWJBKB-UHFFFAOYSA-N 2 2 345.462 2.205 10 30 EEEELP C#CC[NH+]1CCN(C(=O)C[N@H+](CCCC)Cc2ccccc2F)CC1 ZINC000748815028 577967347 /nfs/dbraw/zinc/96/73/47/577967347.db2.gz KEVOZLKNUWJBKB-UHFFFAOYSA-N 2 2 345.462 2.205 10 30 EEEELP C=CCCC[NH2+][C@H]1C[C@H](CNC(=O)c2cc([C@H]3CCC[N@H+]3C)n[nH]2)C1 ZINC001691501366 1182091031 /nfs/dbraw/zinc/09/10/31/1182091031.db2.gz OULBHCYDYIYVNP-IIDMSEBBSA-N 2 2 345.491 2.241 10 30 EEEELP C=CCCC[NH2+][C@H]1C[C@H](CNC(=O)c2cc([C@H]3CCC[N@@H+]3C)n[nH]2)C1 ZINC001691501366 1182091037 /nfs/dbraw/zinc/09/10/37/1182091037.db2.gz OULBHCYDYIYVNP-IIDMSEBBSA-N 2 2 345.491 2.241 10 30 EEEELP CC[C@@H](CNC(=O)Cn1cc[nH+]c1)[NH2+]CC#Cc1ccc(Cl)cc1 ZINC001269514972 1184336115 /nfs/dbraw/zinc/33/61/15/1184336115.db2.gz CDYLPGUZNKRBHG-KRWDZBQOSA-N 2 2 344.846 2.073 10 30 EEEELP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N1CCC([NH+](CC#N)CC2CC2)CC1 ZINC001269633592 1184458992 /nfs/dbraw/zinc/45/89/92/1184458992.db2.gz ZQWWSUFJGJJXMX-IYBDPMFKSA-N 2 2 332.492 2.086 10 30 EEEELP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N1CCC([NH+](CC#N)CC2CC2)CC1 ZINC001269633592 1184458994 /nfs/dbraw/zinc/45/89/94/1184458994.db2.gz ZQWWSUFJGJJXMX-IYBDPMFKSA-N 2 2 332.492 2.086 10 30 EEEELP C[C@@H]1CC[C@H](C)[NH+]1CC(=O)N1CCC([N@H+](CC#N)CC2CC2)CC1 ZINC001269633592 1184458997 /nfs/dbraw/zinc/45/89/97/1184458997.db2.gz ZQWWSUFJGJJXMX-IYBDPMFKSA-N 2 2 332.492 2.086 10 30 EEEELP C[C@@H]1CC[C@H](C)[NH+]1CC(=O)N1CCC([N@@H+](CC#N)CC2CC2)CC1 ZINC001269633592 1184459000 /nfs/dbraw/zinc/45/90/00/1184459000.db2.gz ZQWWSUFJGJJXMX-IYBDPMFKSA-N 2 2 332.492 2.086 10 30 EEEELP C=CC[NH2+]Cc1nc2c(s1)CCN(C(=O)C[C@H](C)n1cc[nH+]c1)C2 ZINC001691804951 1188284243 /nfs/dbraw/zinc/28/42/43/1188284243.db2.gz MABKEKGXOVPRHW-ZDUSSCGKSA-N 2 2 345.472 2.151 10 30 EEEELP N#CC1(C[C@@H](O)C[NH2+]C[C@H]2CC[N@@H+]2C2CCCCCC2)CCOCC1 ZINC000872235982 1198104323 /nfs/dbraw/zinc/10/43/23/1198104323.db2.gz MKBSIJXCWCLPOU-RTBURBONSA-N 2 2 349.519 2.444 10 30 EEEELP N#CC1(C[C@@H](O)C[NH2+]C[C@H]2CC[N@H+]2C2CCCCCC2)CCOCC1 ZINC000872235982 1198104327 /nfs/dbraw/zinc/10/43/27/1198104327.db2.gz MKBSIJXCWCLPOU-RTBURBONSA-N 2 2 349.519 2.444 10 30 EEEELP C#CCC[NH2+]CC1(NC(=O)Cc2cn3c([nH+]2)CCCC3)CCCCC1 ZINC001276199594 1205829652 /nfs/dbraw/zinc/82/96/52/1205829652.db2.gz BLLFTFDANNTCAC-UHFFFAOYSA-N 2 2 342.487 2.194 10 30 EEEELP C#CCN(C(=O)Cc1[nH]cc[nH+]1)C1CC[NH+](CCCCCC)CC1 ZINC001278194192 1306242858 /nfs/dbraw/zinc/24/28/58/1306242858.db2.gz IUFJBXIAZJYOKC-UHFFFAOYSA-N 2 2 330.476 2.459 10 30 EEEELP C#CC[NH+]1CCC([NH2+]C[C@@H](O)COc2cc(C)ccc2Cl)CC1 ZINC001120589398 1309629390 /nfs/dbraw/zinc/62/93/90/1309629390.db2.gz ODWNEWCSLSSPLJ-MRXNPFEDSA-N 2 2 336.863 2.075 10 30 EEEELP C=CC[N@H+](C)CCN(CC)C(=O)c1cc(-n2cc[nH+]c2)ccc1O ZINC001156672233 1318153782 /nfs/dbraw/zinc/15/37/82/1318153782.db2.gz KCMXGUJVGFBPOK-UHFFFAOYSA-N 2 2 328.416 2.158 10 30 EEEELP C=C(C)C[N@H+](CC)CCCNC(=O)c1cc([C@@H]2CCC[NH+]2C)n[nH]1 ZINC001265114795 1322926783 /nfs/dbraw/zinc/92/67/83/1322926783.db2.gz OQWFFGHBBLRFNW-KRWDZBQOSA-N 2 2 333.480 2.194 10 30 EEEELP C=C(C)C[N@@H+](CC)CCCNC(=O)c1cc([C@@H]2CCC[NH+]2C)n[nH]1 ZINC001265114795 1322926786 /nfs/dbraw/zinc/92/67/86/1322926786.db2.gz OQWFFGHBBLRFNW-KRWDZBQOSA-N 2 2 333.480 2.194 10 30 EEEELP C=C(C)C[NH+](CC)CCCNC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1 ZINC001265114795 1322926788 /nfs/dbraw/zinc/92/67/88/1322926788.db2.gz OQWFFGHBBLRFNW-KRWDZBQOSA-N 2 2 333.480 2.194 10 30 EEEELP C=C(C)C[NH+](CC)CCCNC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1 ZINC001265114795 1322926791 /nfs/dbraw/zinc/92/67/91/1322926791.db2.gz OQWFFGHBBLRFNW-KRWDZBQOSA-N 2 2 333.480 2.194 10 30 EEEELP C=CCC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)CCc1c[nH]c[nH+]1 ZINC001281064259 1324751037 /nfs/dbraw/zinc/75/10/37/1324751037.db2.gz WAFJVCZRBPVCHX-LJQANCHMSA-N 2 2 338.455 2.462 10 30 EEEELP C=CCC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)CCc1c[nH]c[nH+]1 ZINC001281064259 1324751043 /nfs/dbraw/zinc/75/10/43/1324751043.db2.gz WAFJVCZRBPVCHX-LJQANCHMSA-N 2 2 338.455 2.462 10 30 EEEELP C=CCC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)CCc1c[nH+]c[nH]1 ZINC001281064259 1324751050 /nfs/dbraw/zinc/75/10/50/1324751050.db2.gz WAFJVCZRBPVCHX-LJQANCHMSA-N 2 2 338.455 2.462 10 30 EEEELP C=C(C)CC[N@H+](CCCNC(=O)[C@@H]1CCc2[nH+]ccn2C1)C1CC1 ZINC001316917719 1331983831 /nfs/dbraw/zinc/98/38/31/1331983831.db2.gz JCORRMCUDZNEOB-MRXNPFEDSA-N 2 2 330.476 2.382 10 30 EEEELP C=C(C)CC[N@@H+](CCCNC(=O)[C@@H]1CCc2[nH+]ccn2C1)C1CC1 ZINC001316917719 1331983842 /nfs/dbraw/zinc/98/38/42/1331983842.db2.gz JCORRMCUDZNEOB-MRXNPFEDSA-N 2 2 330.476 2.382 10 30 EEEELP C[NH+](C)[C@@H](C(=O)NCC[N@@H+](C)CC#Cc1ccccc1)c1ccccc1 ZINC001317471548 1332257735 /nfs/dbraw/zinc/25/77/35/1332257735.db2.gz LBYUOUOZSGCTGF-OAQYLSRUSA-N 2 2 349.478 2.389 10 30 EEEELP C[NH+](C)[C@@H](C(=O)NCC[N@H+](C)CC#Cc1ccccc1)c1ccccc1 ZINC001317471548 1332257737 /nfs/dbraw/zinc/25/77/37/1332257737.db2.gz LBYUOUOZSGCTGF-OAQYLSRUSA-N 2 2 349.478 2.389 10 30 EEEELP C#CCC[N@@H+](CCCNC(=O)c1cc([C@@H]2CCC[NH+]2C)n[nH]1)C(C)C ZINC001317686020 1332372544 /nfs/dbraw/zinc/37/25/44/1332372544.db2.gz IARSARXLQDHCSA-SFHVURJKSA-N 2 2 345.491 2.030 10 30 EEEELP C#CCC[N@H+](CCCNC(=O)c1cc([C@@H]2CCC[NH+]2C)n[nH]1)C(C)C ZINC001317686020 1332372547 /nfs/dbraw/zinc/37/25/47/1332372547.db2.gz IARSARXLQDHCSA-SFHVURJKSA-N 2 2 345.491 2.030 10 30 EEEELP C#CCC[NH+](CCCNC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1)C(C)C ZINC001317686020 1332372551 /nfs/dbraw/zinc/37/25/51/1332372551.db2.gz IARSARXLQDHCSA-SFHVURJKSA-N 2 2 345.491 2.030 10 30 EEEELP C#CCC[NH+](CCCNC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1)C(C)C ZINC001317686020 1332372553 /nfs/dbraw/zinc/37/25/53/1332372553.db2.gz IARSARXLQDHCSA-SFHVURJKSA-N 2 2 345.491 2.030 10 30 EEEELP C=CCC[C@@H](C)[N@@H+]1CCC(F)(F)[C@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001325055151 1333819617 /nfs/dbraw/zinc/81/96/17/1333819617.db2.gz RTUWWVGXJQLBKP-HUUCEWRRSA-N 2 2 340.418 2.311 10 30 EEEELP C=CCC[C@@H](C)[N@H+]1CCC(F)(F)[C@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001325055151 1333819620 /nfs/dbraw/zinc/81/96/20/1333819620.db2.gz RTUWWVGXJQLBKP-HUUCEWRRSA-N 2 2 340.418 2.311 10 30 EEEELP C=CCC[NH2+][C@@]1(CO)CCCN(C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001327578242 1334317937 /nfs/dbraw/zinc/31/79/37/1334317937.db2.gz UDZDVSJOQGBMQP-IBGZPJMESA-N 2 2 331.460 2.140 10 30 EEEELP C=C(Cl)C[N@H+]1CC=C(CNC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001333376692 1336024994 /nfs/dbraw/zinc/02/49/94/1336024994.db2.gz BCVFHUWMWFHMGV-UHFFFAOYSA-N 2 2 325.884 2.362 10 30 EEEELP C=C(Cl)C[N@@H+]1CC=C(CNC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001333376692 1336024998 /nfs/dbraw/zinc/02/49/98/1336024998.db2.gz BCVFHUWMWFHMGV-UHFFFAOYSA-N 2 2 325.884 2.362 10 30 EEEELP Cc1[nH+]c[nH]c1CC(=O)NCC1=CC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC001677624782 1357376880 /nfs/dbraw/zinc/37/68/80/1357376880.db2.gz UXYYAYSBERJQCS-UHFFFAOYSA-N 2 2 349.438 2.081 10 30 EEEELP Cc1[nH+]c[nH]c1CC(=O)NCC1=CC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC001677624782 1357376883 /nfs/dbraw/zinc/37/68/83/1357376883.db2.gz UXYYAYSBERJQCS-UHFFFAOYSA-N 2 2 349.438 2.081 10 30 EEEELP CC#CC[NH2+]CC[C@@H]1[C@H](C)CCCN1C(=O)CCCn1cc[nH+]c1 ZINC001656454876 1354239904 /nfs/dbraw/zinc/23/99/04/1354239904.db2.gz VRMFRJMJROIVTP-QZTJIDSGSA-N 2 2 330.476 2.293 10 30 EEEELP C#CC[N@H+]1Cc2ccc(CNC(=O)CC[NH+]3CCCCC3)cc2C1 ZINC001673769630 1356744961 /nfs/dbraw/zinc/74/49/61/1356744961.db2.gz PEIDBHLEJFWYIX-UHFFFAOYSA-N 2 2 325.456 2.128 10 30 EEEELP C#CC[N@@H+]1Cc2ccc(CNC(=O)CC[NH+]3CCCCC3)cc2C1 ZINC001673769630 1356744967 /nfs/dbraw/zinc/74/49/67/1356744967.db2.gz PEIDBHLEJFWYIX-UHFFFAOYSA-N 2 2 325.456 2.128 10 30 EEEELP C[NH+]1CCN(c2ncccc2C[NH2+]Cc2csc(C#N)c2)CC1 ZINC000921604588 789827707 /nfs/dbraw/zinc/82/77/07/789827707.db2.gz SSWUPOQOHCSCFD-UHFFFAOYSA-N 2 2 327.457 2.056 10 30 EEEELP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCCC[N@H+](C)Cc1ccc(C#N)cc1 ZINC001566498548 1125666106 /nfs/dbraw/zinc/66/61/06/1125666106.db2.gz JUUVTPIGMFIPEL-HNNXBMFYSA-N 2 2 339.443 2.098 10 30 EEEELP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCCC[N@@H+](C)Cc1ccc(C#N)cc1 ZINC001566498548 1125666109 /nfs/dbraw/zinc/66/61/09/1125666109.db2.gz JUUVTPIGMFIPEL-HNNXBMFYSA-N 2 2 339.443 2.098 10 30 EEEELP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCCC[N@H+](C)Cc1ccc(C#N)cc1 ZINC001566498548 1125666111 /nfs/dbraw/zinc/66/61/11/1125666111.db2.gz JUUVTPIGMFIPEL-HNNXBMFYSA-N 2 2 339.443 2.098 10 30 EEEELP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCCC[N@@H+](C)Cc1ccc(C#N)cc1 ZINC001566498548 1125666114 /nfs/dbraw/zinc/66/61/14/1125666114.db2.gz JUUVTPIGMFIPEL-HNNXBMFYSA-N 2 2 339.443 2.098 10 30 EEEELP C=C(Cl)C[NH2+]C[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001437020020 1088808827 /nfs/dbraw/zinc/80/88/27/1088808827.db2.gz LPEROACZCZNECP-RBSFLKMASA-N 2 2 336.867 2.104 10 30 EEEELP C=C(Cl)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](F)C[NH+](CC)CC ZINC001446292602 1092452903 /nfs/dbraw/zinc/45/29/03/1092452903.db2.gz GPYRMNVDFKSCQE-OWCLPIDISA-N 2 2 345.890 2.484 10 30 EEEELP C=C(Cl)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](F)C[NH+](CC)CC ZINC001446292602 1092452909 /nfs/dbraw/zinc/45/29/09/1092452909.db2.gz GPYRMNVDFKSCQE-OWCLPIDISA-N 2 2 345.890 2.484 10 30 EEEELP C=C(C)C[N@H+](CCCNC(=O)[C@H]1COCC[NH+]1C1CCCC1)C1CC1 ZINC001479875270 1099231468 /nfs/dbraw/zinc/23/14/68/1099231468.db2.gz SIOAZQALWAPLSQ-LJQANCHMSA-N 2 2 349.519 2.177 10 30 EEEELP C=C(C)C[N@@H+](CCCNC(=O)[C@H]1COCC[NH+]1C1CCCC1)C1CC1 ZINC001479875270 1099231475 /nfs/dbraw/zinc/23/14/75/1099231475.db2.gz SIOAZQALWAPLSQ-LJQANCHMSA-N 2 2 349.519 2.177 10 30 EEEELP C=C(C)C[NH+](CCCNC(=O)[C@H]1COCC[N@@H+]1C1CCCC1)C1CC1 ZINC001479875270 1099231481 /nfs/dbraw/zinc/23/14/81/1099231481.db2.gz SIOAZQALWAPLSQ-LJQANCHMSA-N 2 2 349.519 2.177 10 30 EEEELP C=C(C)C[NH+](CCCNC(=O)[C@H]1COCC[N@H+]1C1CCCC1)C1CC1 ZINC001479875270 1099231484 /nfs/dbraw/zinc/23/14/84/1099231484.db2.gz SIOAZQALWAPLSQ-LJQANCHMSA-N 2 2 349.519 2.177 10 30 EEEELP C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)[C@H](F)C[NH+](CC)CC ZINC001480317295 1100052679 /nfs/dbraw/zinc/05/26/79/1100052679.db2.gz BBLYMWBAPKHTOA-LSDHHAIUSA-N 2 2 333.879 2.390 10 30 EEEELP C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)[C@H](F)C[NH+](CC)CC ZINC001480317295 1100052688 /nfs/dbraw/zinc/05/26/88/1100052688.db2.gz BBLYMWBAPKHTOA-LSDHHAIUSA-N 2 2 333.879 2.390 10 30 EEEELP C=C(Br)C[NH+](C)C[C@@H]1CCCN1C(=O)C[N@@H+](C)C(C)C ZINC001447773437 1103291768 /nfs/dbraw/zinc/29/17/68/1103291768.db2.gz UWLLOXHZXVHSBO-AWEZNQCLSA-N 2 2 346.313 2.158 10 30 EEEELP C=C(Br)C[NH+](C)C[C@@H]1CCCN1C(=O)C[N@H+](C)C(C)C ZINC001447773437 1103291778 /nfs/dbraw/zinc/29/17/78/1103291778.db2.gz UWLLOXHZXVHSBO-AWEZNQCLSA-N 2 2 346.313 2.158 10 30 EEEELP C=C(Br)C[N@@H+](C)C[C@@H]1CCCN1C(=O)C[NH+](C)C(C)C ZINC001447773437 1103291789 /nfs/dbraw/zinc/29/17/89/1103291789.db2.gz UWLLOXHZXVHSBO-AWEZNQCLSA-N 2 2 346.313 2.158 10 30 EEEELP C=C(Br)C[N@H+](C)C[C@@H]1CCCN1C(=O)C[NH+](C)C(C)C ZINC001447773437 1103291796 /nfs/dbraw/zinc/29/17/96/1103291796.db2.gz UWLLOXHZXVHSBO-AWEZNQCLSA-N 2 2 346.313 2.158 10 30 EEEELP C=C(C)CC[NH2+]C1(CNC(=O)[C@H]2COCC[N@@H+]2C2CCCC2)CCC1 ZINC001501993107 1113550351 /nfs/dbraw/zinc/55/03/51/1113550351.db2.gz OZYNWTKFULNGER-GOSISDBHSA-N 2 2 349.519 2.225 10 30 EEEELP C=C(C)CC[NH2+]C1(CNC(=O)[C@H]2COCC[N@H+]2C2CCCC2)CCC1 ZINC001501993107 1113550356 /nfs/dbraw/zinc/55/03/56/1113550356.db2.gz OZYNWTKFULNGER-GOSISDBHSA-N 2 2 349.519 2.225 10 30 EEEELP C=C(C)C[NH2+][C@@H](CNC(=O)Cc1cn2cccc(C)c2[nH+]1)C(C)C ZINC001568466336 1124527141 /nfs/dbraw/zinc/52/71/41/1124527141.db2.gz XGALCRMUABSGHR-KRWDZBQOSA-N 2 2 328.460 2.492 10 30 EEEELP COc1ccc(CO[NH+]=C(N)c2ccc(C[NH+](C)C)cc2)cc1C#N ZINC000270285177 270016523 /nfs/dbraw/zinc/01/65/23/270016523.db2.gz VMZHPINIKZQIRM-UHFFFAOYSA-N 2 2 338.411 2.466 10 30 EEEELP Cc1cn2c([nH+]1)[C@H](CNC(=O)N1CCC[C@@H]3C[N@H+](C)CC[C@@H]31)CCC2 ZINC000329278906 465287439 /nfs/dbraw/zinc/28/74/39/465287439.db2.gz LKQOWLSPDUSCIL-BBWFWOEESA-N 2 2 345.491 2.399 10 30 EEEELP Cc1cn2c([nH+]1)[C@H](CNC(=O)N1CCC[C@@H]3C[N@@H+](C)CC[C@@H]31)CCC2 ZINC000329278906 465287443 /nfs/dbraw/zinc/28/74/43/465287443.db2.gz LKQOWLSPDUSCIL-BBWFWOEESA-N 2 2 345.491 2.399 10 30 EEEELP C[C@@H]1CN(C(=O)N[C@@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)C[C@@H]1[NH+](C)C ZINC000329776740 465431858 /nfs/dbraw/zinc/43/18/58/465431858.db2.gz OJHJVZLCMOEMJL-KFWWJZLASA-N 2 2 347.507 2.291 10 30 EEEELP C=CC[C@H]1CC[C@@H]([NH2+]CCC[NH+]2CCN(c3ncccn3)CC2)C1 ZINC000651674664 471080550 /nfs/dbraw/zinc/08/05/50/471080550.db2.gz ZGLXUOSFLGNTNR-ZWKOTPCHSA-N 2 2 329.492 2.323 10 30 EEEELP C=CCC[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC001266804857 1177459534 /nfs/dbraw/zinc/45/95/34/1177459534.db2.gz PUVKNPFIXDJWSA-HKUYNNGSSA-N 2 2 349.519 2.034 10 30 EEEELP C=CCC[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2COCC[N@H+]2C2CCCC2)C1 ZINC001266804857 1177459541 /nfs/dbraw/zinc/45/95/41/1177459541.db2.gz PUVKNPFIXDJWSA-HKUYNNGSSA-N 2 2 349.519 2.034 10 30 EEEELP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](CC/C=C\CCC)C1 ZINC001267627806 1180022813 /nfs/dbraw/zinc/02/28/13/1180022813.db2.gz GIDXJQWASDUOBM-RJCMGOLDSA-N 2 2 331.504 2.411 10 30 EEEELP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCC[N@H+](CC/C=C\CCC)C1 ZINC001267627806 1180022818 /nfs/dbraw/zinc/02/28/18/1180022818.db2.gz GIDXJQWASDUOBM-RJCMGOLDSA-N 2 2 331.504 2.411 10 30 EEEELP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCC[NH+](CC/C=C\CCC)C1 ZINC001267627806 1180022823 /nfs/dbraw/zinc/02/28/23/1180022823.db2.gz GIDXJQWASDUOBM-RJCMGOLDSA-N 2 2 331.504 2.411 10 30 EEEELP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCC[NH+](CC/C=C\CCC)C1 ZINC001267627806 1180022827 /nfs/dbraw/zinc/02/28/27/1180022827.db2.gz GIDXJQWASDUOBM-RJCMGOLDSA-N 2 2 331.504 2.411 10 30 EEEELP CC(C)[N@@H+](C)CC(=O)N[C@H]1CCC[NH+](CC#Cc2ccc(F)cc2)C1 ZINC001268236489 1182055929 /nfs/dbraw/zinc/05/59/29/1182055929.db2.gz IKBFGWWNFUTHBX-IBGZPJMESA-N 2 2 345.462 2.098 10 30 EEEELP CC(C)[NH+](C)CC(=O)N[C@H]1CCC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC001268236489 1182055936 /nfs/dbraw/zinc/05/59/36/1182055936.db2.gz IKBFGWWNFUTHBX-IBGZPJMESA-N 2 2 345.462 2.098 10 30 EEEELP CC(C)[NH+](C)CC(=O)N[C@H]1CCC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC001268236489 1182055939 /nfs/dbraw/zinc/05/59/39/1182055939.db2.gz IKBFGWWNFUTHBX-IBGZPJMESA-N 2 2 345.462 2.098 10 30 EEEELP CCN(CC[NH2+]Cc1cccc(C#N)c1)C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001268484459 1182954372 /nfs/dbraw/zinc/95/43/72/1182954372.db2.gz GCMIWSCIXWZKPJ-HNNXBMFYSA-N 2 2 339.443 2.098 10 30 EEEELP CCN(CC[NH2+]Cc1cccc(C#N)c1)C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001268484459 1182954377 /nfs/dbraw/zinc/95/43/77/1182954377.db2.gz GCMIWSCIXWZKPJ-HNNXBMFYSA-N 2 2 339.443 2.098 10 30 EEEELP CC(C)[C@@H](C(=O)N1CCC([N@H+](CC#N)CC2CC2)CC1)[NH+]1CCCC1 ZINC001670989401 1193539882 /nfs/dbraw/zinc/53/98/82/1193539882.db2.gz SQDFMHURHHEESH-IBGZPJMESA-N 2 2 346.519 2.333 10 30 EEEELP CC(C)[C@@H](C(=O)N1CCC([N@@H+](CC#N)CC2CC2)CC1)[NH+]1CCCC1 ZINC001670989401 1193539885 /nfs/dbraw/zinc/53/98/85/1193539885.db2.gz SQDFMHURHHEESH-IBGZPJMESA-N 2 2 346.519 2.333 10 30 EEEELP C[C@H](CN(C)C(=O)C[C@@H](C)n1cc[nH+]c1)[NH2+]Cc1ccc(C#N)cc1 ZINC001485927791 1193643090 /nfs/dbraw/zinc/64/30/90/1193643090.db2.gz CUJZMFKNTQTKBD-HZPDHXFCSA-N 2 2 339.443 2.343 10 30 EEEELP C#CCC[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H](CC(C)C)n3cc[nH+]c3)C2)C1 ZINC001483842470 1191076431 /nfs/dbraw/zinc/07/64/31/1191076431.db2.gz OAKIPOOORPERCD-UYAOXDASSA-N 2 2 342.487 2.418 10 30 EEEELP C#CCC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H](CC(C)C)n3cc[nH+]c3)C2)C1 ZINC001483842470 1191076432 /nfs/dbraw/zinc/07/64/32/1191076432.db2.gz OAKIPOOORPERCD-UYAOXDASSA-N 2 2 342.487 2.418 10 30 EEEELP C=CCC[C@H](C)[N@H+]1C[C@H]2CN(C(=O)[C@H](C)Cc3c[nH]c[nH+]3)C[C@H]2C1 ZINC001484411770 1191338948 /nfs/dbraw/zinc/33/89/48/1191338948.db2.gz UECYYBDZFDWIPM-TWMKSMIVSA-N 2 2 330.476 2.333 10 30 EEEELP C=CCC[C@H](C)[N@@H+]1C[C@H]2CN(C(=O)[C@H](C)Cc3c[nH]c[nH+]3)C[C@H]2C1 ZINC001484411770 1191338950 /nfs/dbraw/zinc/33/89/50/1191338950.db2.gz UECYYBDZFDWIPM-TWMKSMIVSA-N 2 2 330.476 2.333 10 30 EEEELP C=CCC[C@H](C)[N@H+]1C[C@H]2CN(C(=O)[C@H](C)Cc3c[nH+]c[nH]3)C[C@H]2C1 ZINC001484411770 1191338952 /nfs/dbraw/zinc/33/89/52/1191338952.db2.gz UECYYBDZFDWIPM-TWMKSMIVSA-N 2 2 330.476 2.333 10 30 EEEELP C=CCC[C@H](C)[N@@H+]1C[C@H]2CN(C(=O)[C@H](C)Cc3c[nH+]c[nH]3)C[C@H]2C1 ZINC001484411770 1191338954 /nfs/dbraw/zinc/33/89/54/1191338954.db2.gz UECYYBDZFDWIPM-TWMKSMIVSA-N 2 2 330.476 2.333 10 30 EEEELP C=C(Cl)C[NH2+][C@H](CCNC(=O)[C@@H]1CCn2cc[nH+]c2C1)C(C)C ZINC001410247879 1197632566 /nfs/dbraw/zinc/63/25/66/1197632566.db2.gz MVZRWXMMEWTRHN-HUUCEWRRSA-N 2 2 338.883 2.319 10 30 EEEELP C#CC[NH+]1CCC(NC(=O)Nc2cc[nH+]c(N3CCCCC3)c2)CC1 ZINC000934091326 1207901731 /nfs/dbraw/zinc/90/17/31/1207901731.db2.gz FWPGHLCTPVFZOY-UHFFFAOYSA-N 2 2 341.459 2.291 10 30 EEEELP C[C@@H](CNC(=[NH2+])NC1CCCCC1)[NH+]1CCN(c2ccccc2)CC1 ZINC000303900898 1213922972 /nfs/dbraw/zinc/92/29/72/1213922972.db2.gz SLFVJBDOCNANAD-KRWDZBQOSA-N 2 2 343.519 2.434 10 30 EEEELP C=CCCC[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)Cc2c[nH+]cn2C)C1 ZINC001490983047 1258537748 /nfs/dbraw/zinc/53/77/48/1258537748.db2.gz NNZCXASYUSSUCW-WMZOPIPTSA-N 2 2 330.476 2.242 10 30 EEEELP C=CCCC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)Cc2c[nH+]cn2C)C1 ZINC001490983047 1258537752 /nfs/dbraw/zinc/53/77/52/1258537752.db2.gz NNZCXASYUSSUCW-WMZOPIPTSA-N 2 2 330.476 2.242 10 30 EEEELP C#CC[NH+]1CCC[C@H]1C(=O)N(C)CCC[N@H+](C)C/C(Cl)=C\Cl ZINC001273523903 1279159259 /nfs/dbraw/zinc/15/92/59/1279159259.db2.gz HCICWHDTHNJYMU-ZQHYZAEZSA-N 2 2 346.302 2.183 10 30 EEEELP C#CC[NH+]1CCC[C@H]1C(=O)N(C)CCC[N@@H+](C)C/C(Cl)=C\Cl ZINC001273523903 1279159264 /nfs/dbraw/zinc/15/92/64/1279159264.db2.gz HCICWHDTHNJYMU-ZQHYZAEZSA-N 2 2 346.302 2.183 10 30 EEEELP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCC[NH+](C)C/C(Cl)=C\Cl ZINC001273523903 1279159271 /nfs/dbraw/zinc/15/92/71/1279159271.db2.gz HCICWHDTHNJYMU-ZQHYZAEZSA-N 2 2 346.302 2.183 10 30 EEEELP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCC[NH+](C)C/C(Cl)=C\Cl ZINC001273523903 1279159274 /nfs/dbraw/zinc/15/92/74/1279159274.db2.gz HCICWHDTHNJYMU-ZQHYZAEZSA-N 2 2 346.302 2.183 10 30 EEEELP C#CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](CC(C)C)n3cc[nH+]c3)C[C@@H]2C1 ZINC001489193722 1290436136 /nfs/dbraw/zinc/43/61/36/1290436136.db2.gz OPEMJKVMPZPDBH-CEXWTWQISA-N 2 2 342.487 2.274 10 30 EEEELP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](CC(C)C)n3cc[nH+]c3)C[C@@H]2C1 ZINC001489193722 1290436138 /nfs/dbraw/zinc/43/61/38/1290436138.db2.gz OPEMJKVMPZPDBH-CEXWTWQISA-N 2 2 342.487 2.274 10 30 EEEELP C#CCN(C(=O)CCc1[nH+]ccn1C)C1CC[NH+](C[C@H](C)CC)CC1 ZINC001278168546 1306162036 /nfs/dbraw/zinc/16/20/36/1306162036.db2.gz DBNNUWJIKZNWDR-QGZVFWFLSA-N 2 2 344.503 2.325 10 30 EEEELP C#CC[NH+]1CCC([NH2+]C[C@H](O)COc2cccc3ccccc32)CC1 ZINC001120557791 1309610579 /nfs/dbraw/zinc/61/05/79/1309610579.db2.gz BHCJZNHFINZOTB-IBGZPJMESA-N 2 2 338.451 2.267 10 30 EEEELP C=C(C)C[N@@H+]1CCC[C@H]1CCCNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001492159869 1331023909 /nfs/dbraw/zinc/02/39/09/1331023909.db2.gz KUCFPMIVBNXQAE-DLBZAZTESA-N 2 2 330.476 2.382 10 30 EEEELP C=C(C)C[N@H+]1CCC[C@H]1CCCNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001492159869 1331023914 /nfs/dbraw/zinc/02/39/14/1331023914.db2.gz KUCFPMIVBNXQAE-DLBZAZTESA-N 2 2 330.476 2.382 10 30 EEEELP CC#CC[N@@H+]1CCC[C@H](NC(=O)C[NH+](C)Cc2ccccc2)[C@@H]1C ZINC001332216322 1335769219 /nfs/dbraw/zinc/76/92/19/1335769219.db2.gz DRJCEGMOPUXBHL-HKUYNNGSSA-N 2 2 327.472 2.111 10 30 EEEELP CC#CC[N@H+]1CCC[C@H](NC(=O)C[NH+](C)Cc2ccccc2)[C@@H]1C ZINC001332216322 1335769229 /nfs/dbraw/zinc/76/92/29/1335769229.db2.gz DRJCEGMOPUXBHL-HKUYNNGSSA-N 2 2 327.472 2.111 10 30 EEEELP CC#CC[NH+]1CCC[C@H](NC(=O)C[N@H+](C)Cc2ccccc2)[C@@H]1C ZINC001332216322 1335769232 /nfs/dbraw/zinc/76/92/32/1335769232.db2.gz DRJCEGMOPUXBHL-HKUYNNGSSA-N 2 2 327.472 2.111 10 30 EEEELP CC#CC[NH+]1CCC[C@H](NC(=O)C[N@@H+](C)Cc2ccccc2)[C@@H]1C ZINC001332216322 1335769240 /nfs/dbraw/zinc/76/92/40/1335769240.db2.gz DRJCEGMOPUXBHL-HKUYNNGSSA-N 2 2 327.472 2.111 10 30 EEEELP C=C(C)CC[NH2+][C@H]1C[C@@H](CNC(=O)c2cc([C@@H]3CCC[N@H+]3C)n[nH]2)C1 ZINC001565843602 1342568724 /nfs/dbraw/zinc/56/87/24/1342568724.db2.gz VWKBZIBMUCTIRT-DAYGRLMNSA-N 2 2 345.491 2.241 10 30 EEEELP C=C(C)CC[NH2+][C@H]1C[C@@H](CNC(=O)c2cc([C@@H]3CCC[N@@H+]3C)n[nH]2)C1 ZINC001565843602 1342568725 /nfs/dbraw/zinc/56/87/25/1342568725.db2.gz VWKBZIBMUCTIRT-DAYGRLMNSA-N 2 2 345.491 2.241 10 30 EEEELP C#CC[N@@H+](C)C[C@H]1CCCN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001566739636 1342619022 /nfs/dbraw/zinc/61/90/22/1342619022.db2.gz ZMYFJQUZDYZQOX-MSOLQXFVSA-N 2 2 330.476 2.274 10 30 EEEELP C#CC[N@H+](C)C[C@H]1CCCN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001566739636 1342619026 /nfs/dbraw/zinc/61/90/26/1342619026.db2.gz ZMYFJQUZDYZQOX-MSOLQXFVSA-N 2 2 330.476 2.274 10 30 EEEELP C=C(Cl)C[NH2+]CCC[C@H](C)NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001571257411 1343170893 /nfs/dbraw/zinc/17/08/93/1343170893.db2.gz NYLHUNGKPZKMNV-AWEZNQCLSA-N 2 2 338.883 2.389 10 30 EEEELP C=CCC[NH2+]C[C@@H](NC(=O)Cc1cn2c([nH+]1)CCCC2)C(C)(C)C ZINC001677253404 1357302186 /nfs/dbraw/zinc/30/21/86/1357302186.db2.gz SRZJTNZLFJUDOD-MRXNPFEDSA-N 2 2 332.492 2.459 10 30 EEEELP C=CCC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC001672970024 1356624478 /nfs/dbraw/zinc/62/44/78/1356624478.db2.gz KEDZKIOUGKEGIB-BRWVUGGUSA-N 2 2 330.476 2.286 10 30 EEEELP C=CCC[NH2+][C@@H](CNC(=O)Cc1cn2cccc(C)c2[nH+]1)C(C)C ZINC001698973338 1405194453 /nfs/dbraw/zinc/19/44/53/1405194453.db2.gz JQBLQJCHPXGWSC-KRWDZBQOSA-N 2 2 328.460 2.492 10 30 EEEELP C=CCCC[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001699843583 1405523059 /nfs/dbraw/zinc/52/30/59/1405523059.db2.gz ZVVWDPSKNBIGOX-VQIMIIECSA-N 2 2 330.476 2.240 10 30 EEEELP C=C(C)C[N@@H+]1CCC[C@@](C)(CNC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001699869929 1405536291 /nfs/dbraw/zinc/53/62/91/1405536291.db2.gz VXIQLQUKYXHNCF-LPHOPBHVSA-N 2 2 330.476 2.240 10 30 EEEELP C=C(C)C[N@H+]1CCC[C@@](C)(CNC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001699869929 1405536294 /nfs/dbraw/zinc/53/62/94/1405536294.db2.gz VXIQLQUKYXHNCF-LPHOPBHVSA-N 2 2 330.476 2.240 10 30 EEEELP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](C/C=C\Cl)CC1(C)C ZINC000940811188 779355232 /nfs/dbraw/zinc/35/52/32/779355232.db2.gz BSTILCZKORATKA-OCLYVHKGSA-N 2 2 337.895 2.053 10 30 EEEELP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](C/C=C\Cl)CC1(C)C ZINC000940811188 779355239 /nfs/dbraw/zinc/35/52/39/779355239.db2.gz BSTILCZKORATKA-OCLYVHKGSA-N 2 2 337.895 2.053 10 30 EEEELP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](C/C=C\Cl)CC1(C)C ZINC000940811188 779355250 /nfs/dbraw/zinc/35/52/50/779355250.db2.gz BSTILCZKORATKA-OCLYVHKGSA-N 2 2 337.895 2.053 10 30 EEEELP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](C/C=C\Cl)CC1(C)C ZINC000940811188 779355251 /nfs/dbraw/zinc/35/52/51/779355251.db2.gz BSTILCZKORATKA-OCLYVHKGSA-N 2 2 337.895 2.053 10 30 EEEELP C=C(Cl)C[N@H+]1CC[C@@H](CNC(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001437741489 1090303349 /nfs/dbraw/zinc/30/33/49/1090303349.db2.gz QQFMNWOXWJHKBJ-DOTOQJQBSA-N 2 2 335.879 2.480 10 30 EEEELP C=C(Cl)C[N@@H+]1CC[C@@H](CNC(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001437741489 1090303356 /nfs/dbraw/zinc/30/33/56/1090303356.db2.gz QQFMNWOXWJHKBJ-DOTOQJQBSA-N 2 2 335.879 2.480 10 30 EEEELP C=C(Br)C[NH+]1CCC(N(C)C(=O)C[N@@H+](C)C(C)C)CC1 ZINC001479895860 1099275246 /nfs/dbraw/zinc/27/52/46/1099275246.db2.gz BQXKCUMPSMYLFO-UHFFFAOYSA-N 2 2 346.313 2.158 10 30 EEEELP C=C(Br)C[NH+]1CCC(N(C)C(=O)C[N@H+](C)C(C)C)CC1 ZINC001479895860 1099275258 /nfs/dbraw/zinc/27/52/58/1099275258.db2.gz BQXKCUMPSMYLFO-UHFFFAOYSA-N 2 2 346.313 2.158 10 30 EEEELP C=CC[NH2+]CCC1CCN(C(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)CC1 ZINC001495425994 1101143523 /nfs/dbraw/zinc/14/35/23/1101143523.db2.gz PRTNXBVULSSMTC-IBGZPJMESA-N 2 2 349.519 2.034 10 30 EEEELP C=CC[NH2+]CCC1CCN(C(=O)[C@@H]2COCC[N@H+]2C2CCCC2)CC1 ZINC001495425994 1101143527 /nfs/dbraw/zinc/14/35/27/1101143527.db2.gz PRTNXBVULSSMTC-IBGZPJMESA-N 2 2 349.519 2.034 10 30 EEEELP N#CCOc1ccc(C[NH+]2CCC([NH2+]C3CCOCC3)CC2)cc1 ZINC001473793009 1110580996 /nfs/dbraw/zinc/58/09/96/1110580996.db2.gz MYFVJUUTQDTCQS-UHFFFAOYSA-N 2 2 329.444 2.322 10 30 EEEELP C#CCN(C(=O)CCc1c[nH+]cn1C)C1CC[NH+](C[C@H](C)CC)CC1 ZINC001500057997 1112596291 /nfs/dbraw/zinc/59/62/91/1112596291.db2.gz RZPIRJFBUOWDOD-QGZVFWFLSA-N 2 2 344.503 2.325 10 30 EEEELP C#CCC[NH2+]CC[C@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001501596580 1113394176 /nfs/dbraw/zinc/39/41/76/1113394176.db2.gz FNJQMERRVLXCBZ-KRWDZBQOSA-N 2 2 336.439 2.337 10 30 EEEELP C=C(C)C[N@H+]1C[C@@H]2CC[C@H](NC(=O)CCc3[nH+]ccn3C)C[C@H]2C1 ZINC001506860603 1114927284 /nfs/dbraw/zinc/92/72/84/1114927284.db2.gz XKFHJNYACNDFAW-ULQDDVLXSA-N 2 2 330.476 2.146 10 30 EEEELP C=C(C)C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)CCc3[nH+]ccn3C)C[C@H]2C1 ZINC001506860603 1114927287 /nfs/dbraw/zinc/92/72/87/1114927287.db2.gz XKFHJNYACNDFAW-ULQDDVLXSA-N 2 2 330.476 2.146 10 30 EEEELP C=CCCC[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCn3cc[nH+]c3C1)CC2 ZINC001568250799 1124386089 /nfs/dbraw/zinc/38/60/89/1124386089.db2.gz SVSPJVPJSRNBBM-KRWDZBQOSA-N 2 2 342.487 2.336 10 30 EEEELP CC#CC[NH2+]C[C@H](NC(=O)[C@@H]1CCn2c[nH+]cc2C1)C1CCCCC1 ZINC001568343747 1124428522 /nfs/dbraw/zinc/42/85/22/1124428522.db2.gz PBTLDFAECSHUSX-MJGOQNOKSA-N 2 2 342.487 2.124 10 30 EEEELP C=CCC[NH2+]CC[C@@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001568394044 1124464812 /nfs/dbraw/zinc/46/48/12/1124464812.db2.gz YFZUFLBGTOTUQR-GVDBMIGSSA-N 2 2 330.476 2.461 10 30 EEEELP C=C(C)CC[NH2+][C@H](CNC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1)C(C)C ZINC001568451438 1124518081 /nfs/dbraw/zinc/51/80/81/1124518081.db2.gz OOQCBTDUKRUDIQ-QZTJIDSGSA-N 2 2 347.507 2.487 10 30 EEEELP C=C(C)CC[NH2+][C@H](CNC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1)C(C)C ZINC001568451438 1124518085 /nfs/dbraw/zinc/51/80/85/1124518085.db2.gz OOQCBTDUKRUDIQ-QZTJIDSGSA-N 2 2 347.507 2.487 10 30 EEEELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CC(=O)N(CC)C[C@@H](C)C#N)C1 ZINC000105897655 529761430 /nfs/dbraw/zinc/76/14/30/529761430.db2.gz ACOOHQWHSYRHLS-HOTGVXAUSA-N 2 2 331.464 2.091 10 30 EEEELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CC(=O)N(CC)C[C@@H](C)C#N)C1 ZINC000105897655 529761431 /nfs/dbraw/zinc/76/14/31/529761431.db2.gz ACOOHQWHSYRHLS-HOTGVXAUSA-N 2 2 331.464 2.091 10 30 EEEELP C[NH+]1CCC(CNC(=O)c2sccc2C#N)([NH+]2CCCCC2)CC1 ZINC000172750723 152115105 /nfs/dbraw/zinc/11/51/05/152115105.db2.gz IAQPFSUZUCMDFD-UHFFFAOYSA-N 2 2 346.500 2.300 10 30 EEEELP N#Cc1ccc(C[NH+]2CCC([NH2+][C@@H]3CCC[C@H](C(N)=O)C3)CC2)cc1 ZINC000181781466 323356325 /nfs/dbraw/zinc/35/63/25/323356325.db2.gz PLUQBACZLQCQKK-PKOBYXMFSA-N 2 2 340.471 2.156 10 30 EEEELP C[C@H]([NH2+]CC(=O)N[C@](C)(C#N)C1CC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000180671954 464365759 /nfs/dbraw/zinc/36/57/59/464365759.db2.gz GUNQEIVZAFRYGQ-IFXJQAMLSA-N 2 2 337.427 2.331 10 30 EEEELP C[C@@H]1C[C@@H]([NH+](C)[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC[N@@H+]1C ZINC000192612233 464957918 /nfs/dbraw/zinc/95/79/18/464957918.db2.gz RGPNHZCHSWCDCZ-AYOQOUSVSA-N 2 2 340.471 2.468 10 30 EEEELP C[C@@H]1C[C@@H]([NH+](C)[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC[N@H+]1C ZINC000192612233 464957925 /nfs/dbraw/zinc/95/79/25/464957925.db2.gz RGPNHZCHSWCDCZ-AYOQOUSVSA-N 2 2 340.471 2.468 10 30 EEEELP C[C@@H]1C[C@@H]([N@H+](C)[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC[NH+]1C ZINC000192612233 464957927 /nfs/dbraw/zinc/95/79/27/464957927.db2.gz RGPNHZCHSWCDCZ-AYOQOUSVSA-N 2 2 340.471 2.468 10 30 EEEELP C[C@@H]1C[C@@H]([N@@H+](C)[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC[NH+]1C ZINC000192612233 464957932 /nfs/dbraw/zinc/95/79/32/464957932.db2.gz RGPNHZCHSWCDCZ-AYOQOUSVSA-N 2 2 340.471 2.468 10 30 EEEELP CCCC[C@H](ON=C(C)C)C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000758326934 577621839 /nfs/dbraw/zinc/62/18/39/577621839.db2.gz TYNGEVYPONSFLN-KRWDZBQOSA-N 2 2 340.512 2.100 10 30 EEEELP CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001266491237 1176629143 /nfs/dbraw/zinc/62/91/43/1176629143.db2.gz IJXKNRGDUKVRDR-HDICACEKSA-N 2 2 331.504 2.197 10 30 EEEELP CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001266491237 1176629150 /nfs/dbraw/zinc/62/91/50/1176629150.db2.gz IJXKNRGDUKVRDR-HDICACEKSA-N 2 2 331.504 2.197 10 30 EEEELP C=CCCC[NH2+]CC1(NC(=O)[C@H]2CCn3cc[nH+]c3C2)CCCC1 ZINC001267839254 1180613382 /nfs/dbraw/zinc/61/33/82/1180613382.db2.gz LKEAPYGAEGLVNY-INIZCTEOSA-N 2 2 330.476 2.430 10 30 EEEELP C#CCC[NH2+]C[C@H](NC(=O)CCc1[nH+]ccn1C)C1CCCCC1 ZINC001268118823 1181764912 /nfs/dbraw/zinc/76/49/12/1181764912.db2.gz MSLQLBOHYGASFX-KRWDZBQOSA-N 2 2 330.476 2.031 10 30 EEEELP C#CC[NH2+]CC[C@H]1CCCCN1C(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001271543337 1186301899 /nfs/dbraw/zinc/30/18/99/1186301899.db2.gz HCAIZWKLGIQDRO-QZTJIDSGSA-N 2 2 330.476 2.464 10 30 EEEELP C#CCC[NH2+]C[C@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C[C@H]1C ZINC001271650969 1186360776 /nfs/dbraw/zinc/36/07/76/1186360776.db2.gz ZYJGZAFVNWYSGR-AEFFLSMTSA-N 2 2 336.439 2.193 10 30 EEEELP C=CCCCCC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001483662536 1190724907 /nfs/dbraw/zinc/72/49/07/1190724907.db2.gz VRUKCAYPQIPUEF-IAGOWNOFSA-N 2 2 330.476 2.382 10 30 EEEELP C=CCCCCC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001483662536 1190724909 /nfs/dbraw/zinc/72/49/09/1190724909.db2.gz VRUKCAYPQIPUEF-IAGOWNOFSA-N 2 2 330.476 2.382 10 30 EEEELP C#CC[N@H+]1CCC[C@@]2(CCN(C(=O)[C@H](CC(C)C)n3cc[nH+]c3)C2)C1 ZINC001483831262 1191067730 /nfs/dbraw/zinc/06/77/30/1191067730.db2.gz XGUUHPGLPBPACK-AZUAARDMSA-N 2 2 342.487 2.418 10 30 EEEELP C#CC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@H](CC(C)C)n3cc[nH+]c3)C2)C1 ZINC001483831262 1191067733 /nfs/dbraw/zinc/06/77/33/1191067733.db2.gz XGUUHPGLPBPACK-AZUAARDMSA-N 2 2 342.487 2.418 10 30 EEEELP C=CCCC[NH+]1CCC(C2(NC(=O)Cc3c[nH+]cn3C)CC2)CC1 ZINC001486490018 1194001830 /nfs/dbraw/zinc/00/18/30/1194001830.db2.gz CSCLLMLVAVRWQL-UHFFFAOYSA-N 2 2 330.476 2.290 10 30 EEEELP CN(C[C@H]1CC[N@@H+]1CC#Cc1ccccc1)C(=O)CCCC[NH+](C)C ZINC001691675097 1197473860 /nfs/dbraw/zinc/47/38/60/1197473860.db2.gz SODCVNFNISLMBZ-HXUWFJFHSA-N 2 2 341.499 2.303 10 30 EEEELP CN(C[C@H]1CC[N@H+]1CC#Cc1ccccc1)C(=O)CCCC[NH+](C)C ZINC001691675097 1197473862 /nfs/dbraw/zinc/47/38/62/1197473862.db2.gz SODCVNFNISLMBZ-HXUWFJFHSA-N 2 2 341.499 2.303 10 30 EEEELP N#CC1(C[C@H](O)C[NH2+]C[C@H]2CC[N@@H+]2C2CCCCCC2)CCOCC1 ZINC000872235979 1198104566 /nfs/dbraw/zinc/10/45/66/1198104566.db2.gz MKBSIJXCWCLPOU-MOPGFXCFSA-N 2 2 349.519 2.444 10 30 EEEELP N#CC1(C[C@H](O)C[NH2+]C[C@H]2CC[N@H+]2C2CCCCCC2)CCOCC1 ZINC000872235979 1198104568 /nfs/dbraw/zinc/10/45/68/1198104568.db2.gz MKBSIJXCWCLPOU-MOPGFXCFSA-N 2 2 349.519 2.444 10 30 EEEELP C=C(Cl)C[C@@H]([NH3+])C(=O)NCC[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000876906613 1199814865 /nfs/dbraw/zinc/81/48/65/1199814865.db2.gz DEOKYEGPVZCYCA-OAHLLOKOSA-N 2 2 342.270 2.284 10 30 EEEELP C=C(Cl)C[C@@H]([NH3+])C(=O)NCC[N@H+]1CCc2c(Cl)cccc2C1 ZINC000876906613 1199814870 /nfs/dbraw/zinc/81/48/70/1199814870.db2.gz DEOKYEGPVZCYCA-OAHLLOKOSA-N 2 2 342.270 2.284 10 30 EEEELP CC[C@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)c1cccc(C#N)c1O ZINC000926357409 1206215471 /nfs/dbraw/zinc/21/54/71/1206215471.db2.gz PGXBLPFRJNDQRV-KRWDZBQOSA-N 2 2 330.476 2.331 10 30 EEEELP CC[C@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1cccc(C#N)c1O ZINC000926357409 1206215472 /nfs/dbraw/zinc/21/54/72/1206215472.db2.gz PGXBLPFRJNDQRV-KRWDZBQOSA-N 2 2 330.476 2.331 10 30 EEEELP C=CCCC[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001491156166 1258732729 /nfs/dbraw/zinc/73/27/29/1258732729.db2.gz IXRABFSWZXGDRF-DLBZAZTESA-N 2 2 330.476 2.240 10 30 EEEELP C=CCC[C@H](C)[N@@H+]1C[C@@]2(C)CN(C(=O)Cc3c[nH+]cn3C)C[C@@]2(C)C1 ZINC001276906072 1300201064 /nfs/dbraw/zinc/20/10/64/1300201064.db2.gz KJJHBVZDMCLVQK-FFZOFVMBSA-N 2 2 344.503 2.488 10 30 EEEELP C=CCC[C@H](C)[N@H+]1C[C@@]2(C)CN(C(=O)Cc3c[nH+]cn3C)C[C@@]2(C)C1 ZINC001276906072 1300201071 /nfs/dbraw/zinc/20/10/71/1300201071.db2.gz KJJHBVZDMCLVQK-FFZOFVMBSA-N 2 2 344.503 2.488 10 30 EEEELP C=CCCCCC[NH+]1CC(N(C)C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001277659327 1304104461 /nfs/dbraw/zinc/10/44/61/1304104461.db2.gz AQGQGOBUCYRWQF-IAGOWNOFSA-N 2 2 330.476 2.413 10 30 EEEELP C=C(C)Cn1c([C@@H]2CCC[NH+]2C)nnc1N1CC[N@H+](C)[C@@H](C(C)C)C1 ZINC001122441176 1310286922 /nfs/dbraw/zinc/28/69/22/1310286922.db2.gz QEOPZAZELIPBMJ-DLBZAZTESA-N 2 2 346.523 2.397 10 30 EEEELP C=C(C)Cn1c([C@@H]2CCC[NH+]2C)nnc1N1CC[N@@H+](C)[C@@H](C(C)C)C1 ZINC001122441176 1310286923 /nfs/dbraw/zinc/28/69/23/1310286923.db2.gz QEOPZAZELIPBMJ-DLBZAZTESA-N 2 2 346.523 2.397 10 30 EEEELP C=C(C)Cn1c([C@@H]2CCC[N@@H+]2C)nnc1N1CC[NH+](C)[C@@H](C(C)C)C1 ZINC001122441176 1310286932 /nfs/dbraw/zinc/28/69/32/1310286932.db2.gz QEOPZAZELIPBMJ-DLBZAZTESA-N 2 2 346.523 2.397 10 30 EEEELP C=C(C)Cn1c([C@@H]2CCC[N@H+]2C)nnc1N1CC[NH+](C)[C@@H](C(C)C)C1 ZINC001122441176 1310286934 /nfs/dbraw/zinc/28/69/34/1310286934.db2.gz QEOPZAZELIPBMJ-DLBZAZTESA-N 2 2 346.523 2.397 10 30 EEEELP C=C(C)C[NH2+]C[C@@H]1CC[C@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001278566070 1317247464 /nfs/dbraw/zinc/24/74/64/1317247464.db2.gz SPCNOASQLNOOJV-CVEARBPZSA-N 2 2 330.476 2.213 10 30 EEEELP C=CCC[NH2+]C[C@H]1CN(C(=O)Cc2cn3c([nH+]2)CCCC3)C[C@H]1C ZINC001279101984 1319268193 /nfs/dbraw/zinc/26/81/93/1319268193.db2.gz BIGKYQLENIBYGT-CVEARBPZSA-N 2 2 330.476 2.022 10 30 EEEELP C=CCC[C@@H](C)[NH+]1CCC(CO)(NC(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001281821217 1325473577 /nfs/dbraw/zinc/47/35/77/1325473577.db2.gz YTIRQALYMAIJFS-IAGOWNOFSA-N 2 2 348.491 2.132 10 30 EEEELP C=CCC[NH+]1CCC(C)(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001324887398 1333780214 /nfs/dbraw/zinc/78/02/14/1333780214.db2.gz WNNUKMKTLUYPDL-HZPDHXFCSA-N 2 2 330.476 2.318 10 30 EEEELP C=CCC[NH2+]CC1(NC(=O)[C@@H]2CCn3cc[nH+]c3C2)CCCCC1 ZINC001329830207 1334723903 /nfs/dbraw/zinc/72/39/03/1334723903.db2.gz XNSLSISLQWXWJF-MRXNPFEDSA-N 2 2 330.476 2.430 10 30 EEEELP CC#CC[NH2+][C@H](CCNC(=O)c1ccn2c(C)c[nH+]c2c1)C(C)C ZINC001331200108 1334979322 /nfs/dbraw/zinc/97/93/22/1334979322.db2.gz PFSYOGKRXVTYOK-QGZVFWFLSA-N 2 2 326.444 2.400 10 30 EEEELP C#CCC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)c3cccc4[nH+]ccn43)C[C@H]21 ZINC001332141088 1335741655 /nfs/dbraw/zinc/74/16/55/1335741655.db2.gz QDAVCVFDTFEDCT-GVDBMIGSSA-N 2 2 336.439 2.188 10 30 EEEELP C#CC[C@@H](CO)[NH2+]Cc1ccc(OCCn2cc[nH+]c2)c(Cl)c1 ZINC001560484000 1342513365 /nfs/dbraw/zinc/51/33/65/1342513365.db2.gz SEPYDBRJYKVMAQ-HNNXBMFYSA-N 2 2 333.819 2.089 10 30 EEEELP C#CCC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)C(C)(C)n3c[nH+]c(C)c3)C[C@H]21 ZINC001676837710 1357216822 /nfs/dbraw/zinc/21/68/22/1357216822.db2.gz LZPNMLKJFIOLCG-KZNAEPCWSA-N 2 2 342.487 2.167 10 30 EEEELP CC#CC[N@@H+]1CCC[C@@H]1CCCNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001663072594 1354908983 /nfs/dbraw/zinc/90/89/83/1354908983.db2.gz WORAPOUWHRLCPF-KRWDZBQOSA-N 2 2 330.476 2.311 10 30 EEEELP CC#CC[N@H+]1CCC[C@@H]1CCCNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001663072594 1354908985 /nfs/dbraw/zinc/90/89/85/1354908985.db2.gz WORAPOUWHRLCPF-KRWDZBQOSA-N 2 2 330.476 2.311 10 30 EEEELP C=CCOCC[NH2+]CC1(NC(=O)c2cccc3[nH+]ccn32)CCCC1 ZINC001665933816 1355411952 /nfs/dbraw/zinc/41/19/52/1355411952.db2.gz OGDSHVAIVXROAK-UHFFFAOYSA-N 2 2 342.443 2.169 10 30 EEEELP C=C(C)CC[N@@H+]1CC[C@@H](CCNC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001691892358 1404957130 /nfs/dbraw/zinc/95/71/30/1404957130.db2.gz BOAQPSCVAZISPZ-IAGOWNOFSA-N 2 2 330.476 2.240 10 30 EEEELP C=C(C)CC[N@H+]1CC[C@@H](CCNC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001691892358 1404957138 /nfs/dbraw/zinc/95/71/38/1404957138.db2.gz BOAQPSCVAZISPZ-IAGOWNOFSA-N 2 2 330.476 2.240 10 30 EEEELP C=CC[N@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)CCCn1cc[nH+]c1 ZINC001565994430 1125490542 /nfs/dbraw/zinc/49/05/42/1125490542.db2.gz GKMLRSJEBPVEES-BPQIPLTHSA-N 2 2 330.476 2.455 10 30 EEEELP C=CC[N@@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)CCCn1cc[nH+]c1 ZINC001565994430 1125490548 /nfs/dbraw/zinc/49/05/48/1125490548.db2.gz GKMLRSJEBPVEES-BPQIPLTHSA-N 2 2 330.476 2.455 10 30 EEEELP C=C(Cl)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](F)C[NH+](CC)CC ZINC001447155994 1102101361 /nfs/dbraw/zinc/10/13/61/1102101361.db2.gz JXFVGMLRCAPRFI-OWCLPIDISA-N 2 2 345.890 2.484 10 30 EEEELP C=C(Cl)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](F)C[NH+](CC)CC ZINC001447155994 1102101363 /nfs/dbraw/zinc/10/13/63/1102101363.db2.gz JXFVGMLRCAPRFI-OWCLPIDISA-N 2 2 345.890 2.484 10 30 EEEELP C=CCCC[N@@H+]1CC[C@H](CCNC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001494031160 1103392195 /nfs/dbraw/zinc/39/21/95/1103392195.db2.gz QNLSDMIXIMFLJO-DLBZAZTESA-N 2 2 330.476 2.240 10 30 EEEELP C=CCCC[N@H+]1CC[C@H](CCNC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001494031160 1103392207 /nfs/dbraw/zinc/39/22/07/1103392207.db2.gz QNLSDMIXIMFLJO-DLBZAZTESA-N 2 2 330.476 2.240 10 30 EEEELP C#CCN(C(=O)C[C@H](C)n1cc[nH+]c1)C1CC[NH+](CCC=C)CC1 ZINC001500047248 1112591510 /nfs/dbraw/zinc/59/15/10/1112591510.db2.gz MCCUQTBPOUUSTC-KRWDZBQOSA-N 2 2 328.460 2.337 10 30 EEEELP C#CCC[NH2+][C@@H](CCN(C)C(=O)c1cccc2[nH+]ccn21)C(C)C ZINC001506388505 1114591346 /nfs/dbraw/zinc/59/13/46/1114591346.db2.gz WVSNWIADVSNDRV-INIZCTEOSA-N 2 2 326.444 2.434 10 30 EEEELP C[C@H](C(=O)N[C@H]1CCc2[nH+]c(C(C)(C)C)cn2C1)N1CC[NH+](C)CC1 ZINC000328739824 539760241 /nfs/dbraw/zinc/76/02/41/539760241.db2.gz MVRXKCLBELYPCZ-CABCVRRESA-N 2 2 347.507 2.088 10 30 EEEELP C[NH+]1CCN([C@@H](C[NH2+]Cc2nc(C#N)cs2)c2cccs2)CC1 ZINC000569293863 319562172 /nfs/dbraw/zinc/56/21/72/319562172.db2.gz YJEZHZJZQZJQPN-AWEZNQCLSA-N 2 2 347.513 2.155 10 30 EEEELP COc1ccc(C#N)cc1C[N@@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000095995350 463133596 /nfs/dbraw/zinc/13/35/96/463133596.db2.gz BTFMZSIMTCSWCA-LJQANCHMSA-N 2 2 342.487 2.169 10 30 EEEELP COc1ccc(C#N)cc1C[N@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000095995350 463133600 /nfs/dbraw/zinc/13/36/00/463133600.db2.gz BTFMZSIMTCSWCA-LJQANCHMSA-N 2 2 342.487 2.169 10 30 EEEELP C[N@@H+]1CC[C@@]2(CC[NH+]([C@H]3CCCN(c4ccc(C#N)cc4)C3=O)C2)C1 ZINC000366530804 465785732 /nfs/dbraw/zinc/78/57/32/465785732.db2.gz QEAMYMWGMLGXAF-AZUAARDMSA-N 2 2 338.455 2.081 10 30 EEEELP C[N@H+]1CC[C@@]2(CC[NH+]([C@H]3CCCN(c4ccc(C#N)cc4)C3=O)C2)C1 ZINC000366530804 465785740 /nfs/dbraw/zinc/78/57/40/465785740.db2.gz QEAMYMWGMLGXAF-AZUAARDMSA-N 2 2 338.455 2.081 10 30 EEEELP C[NH+]1CC[C@@]2(CC[N@@H+]([C@H]3CCCN(c4ccc(C#N)cc4)C3=O)C2)C1 ZINC000366530804 465785745 /nfs/dbraw/zinc/78/57/45/465785745.db2.gz QEAMYMWGMLGXAF-AZUAARDMSA-N 2 2 338.455 2.081 10 30 EEEELP C[NH+]1CC[C@@]2(CC[N@H+]([C@H]3CCCN(c4ccc(C#N)cc4)C3=O)C2)C1 ZINC000366530804 465785750 /nfs/dbraw/zinc/78/57/50/465785750.db2.gz QEAMYMWGMLGXAF-AZUAARDMSA-N 2 2 338.455 2.081 10 30 EEEELP COc1c[nH+]ccc1N1CC[NH+](Cc2ccc(C#N)c(F)c2)CC1 ZINC000361518867 466067589 /nfs/dbraw/zinc/06/75/89/466067589.db2.gz LOFBCQVLFLVWDE-UHFFFAOYSA-N 2 2 326.375 2.423 10 30 EEEELP C[C@@H](c1cccc(F)c1)[NH+]1CCN(C(=O)[C@H]([NH3+])CCCC#N)CC1 ZINC000424188830 466999374 /nfs/dbraw/zinc/99/93/74/466999374.db2.gz KAWDWDWRTLCIQB-WMLDXEAASA-N 2 2 332.423 2.052 10 30 EEEELP CN(Cc1[nH+]ccn1Cc1ccccc1)C(=O)[C@@H]([NH3+])CCCCC#N ZINC000594438286 468587013 /nfs/dbraw/zinc/58/70/13/468587013.db2.gz NSBCSHYJYKVCCY-KRWDZBQOSA-N 2 2 339.443 2.301 10 30 EEEELP C#CCC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001266891821 1177727590 /nfs/dbraw/zinc/72/75/90/1177727590.db2.gz RNLWRZJTRVGZRK-SJORKVTESA-N 2 2 330.476 2.167 10 30 EEEELP C#CCC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001266891821 1177727594 /nfs/dbraw/zinc/72/75/94/1177727594.db2.gz RNLWRZJTRVGZRK-SJORKVTESA-N 2 2 330.476 2.167 10 30 EEEELP C=CCCC[N@H+]1CC[C@H](N(CC)C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001267788105 1180532266 /nfs/dbraw/zinc/53/22/66/1180532266.db2.gz PXPXSDXRJSYRDN-WMZOPIPTSA-N 2 2 330.476 2.335 10 30 EEEELP C=CCCC[N@@H+]1CC[C@H](N(CC)C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001267788105 1180532269 /nfs/dbraw/zinc/53/22/69/1180532269.db2.gz PXPXSDXRJSYRDN-WMZOPIPTSA-N 2 2 330.476 2.335 10 30 EEEELP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](CC/C=C\CCC)C1 ZINC001481526484 1181646957 /nfs/dbraw/zinc/64/69/57/1181646957.db2.gz GIDXJQWASDUOBM-MGBKSAOESA-N 2 2 331.504 2.411 10 30 EEEELP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](CC/C=C\CCC)C1 ZINC001481526484 1181646960 /nfs/dbraw/zinc/64/69/60/1181646960.db2.gz GIDXJQWASDUOBM-MGBKSAOESA-N 2 2 331.504 2.411 10 30 EEEELP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC[NH+](CC/C=C\CCC)C1 ZINC001481526484 1181646963 /nfs/dbraw/zinc/64/69/63/1181646963.db2.gz GIDXJQWASDUOBM-MGBKSAOESA-N 2 2 331.504 2.411 10 30 EEEELP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC[NH+](CC/C=C\CCC)C1 ZINC001481526484 1181646966 /nfs/dbraw/zinc/64/69/66/1181646966.db2.gz GIDXJQWASDUOBM-MGBKSAOESA-N 2 2 331.504 2.411 10 30 EEEELP C#CCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001670932562 1193529072 /nfs/dbraw/zinc/52/90/72/1193529072.db2.gz DNOMXZLEBLOYGO-SLUKUZTOSA-N 2 2 326.444 2.038 10 30 EEEELP C#CCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001670932562 1193529075 /nfs/dbraw/zinc/52/90/75/1193529075.db2.gz DNOMXZLEBLOYGO-SLUKUZTOSA-N 2 2 326.444 2.038 10 30 EEEELP C[C@@H](CN(C)C(=O)C[C@H](C)n1cc[nH+]c1)[NH2+]CC#Cc1ccccc1 ZINC001485928488 1193640795 /nfs/dbraw/zinc/64/07/95/1193640795.db2.gz JCHSAALIULEOJV-ROUUACIJSA-N 2 2 338.455 2.322 10 30 EEEELP C#CCN(C(=O)CCc1c[nH]c[nH+]1)C1CC[NH+](CCCCC)CC1 ZINC001483985216 1191142405 /nfs/dbraw/zinc/14/24/05/1191142405.db2.gz OPQAHABOOYRIFL-UHFFFAOYSA-N 2 2 330.476 2.459 10 30 EEEELP C#CCN(C(=O)CCc1c[nH+]c[nH]1)C1CC[NH+](CCCCC)CC1 ZINC001483985216 1191142406 /nfs/dbraw/zinc/14/24/06/1191142406.db2.gz OPQAHABOOYRIFL-UHFFFAOYSA-N 2 2 330.476 2.459 10 30 EEEELP C#CCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C(C)(C)n1c[nH+]c(C)c1)C2 ZINC001484389188 1191329102 /nfs/dbraw/zinc/32/91/02/1191329102.db2.gz ZJTAQHDULZBBRP-BCDXTJNWSA-N 2 2 342.487 2.309 10 30 EEEELP C#CCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C(C)(C)n1c[nH+]c(C)c1)C2 ZINC001484389188 1191329104 /nfs/dbraw/zinc/32/91/04/1191329104.db2.gz ZJTAQHDULZBBRP-BCDXTJNWSA-N 2 2 342.487 2.309 10 30 EEEELP CC#CC[N@H+](C)Cc1ccccc1CNC(=O)CCc1c[nH+]cn1C ZINC001484557425 1191413742 /nfs/dbraw/zinc/41/37/42/1191413742.db2.gz SMFZZEGJDVXTNA-UHFFFAOYSA-N 2 2 338.455 2.124 10 30 EEEELP CC#CC[N@@H+](C)Cc1ccccc1CNC(=O)CCc1c[nH+]cn1C ZINC001484557425 1191413744 /nfs/dbraw/zinc/41/37/44/1191413744.db2.gz SMFZZEGJDVXTNA-UHFFFAOYSA-N 2 2 338.455 2.124 10 30 EEEELP C=CCCC[NH+](C)[C@H](C)CNC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1 ZINC001485308364 1191727659 /nfs/dbraw/zinc/72/76/59/1191727659.db2.gz VCHNTJZZUCHQNZ-RHSMWYFYSA-N 2 2 333.480 2.193 10 30 EEEELP C=CCCC[NH+](C)[C@H](C)CNC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1 ZINC001485308364 1191727661 /nfs/dbraw/zinc/72/76/61/1191727661.db2.gz VCHNTJZZUCHQNZ-RHSMWYFYSA-N 2 2 333.480 2.193 10 30 EEEELP C=CCCC[N@@H+](C)[C@H](C)CNC(=O)c1cc([C@H]2CCC[NH+]2C)n[nH]1 ZINC001485308364 1191727662 /nfs/dbraw/zinc/72/76/62/1191727662.db2.gz VCHNTJZZUCHQNZ-RHSMWYFYSA-N 2 2 333.480 2.193 10 30 EEEELP C=CCCC[N@H+](C)[C@H](C)CNC(=O)c1cc([C@H]2CCC[NH+]2C)n[nH]1 ZINC001485308364 1191727664 /nfs/dbraw/zinc/72/76/64/1191727664.db2.gz VCHNTJZZUCHQNZ-RHSMWYFYSA-N 2 2 333.480 2.193 10 30 EEEELP C=CCCC[NH2+]C[C@H]1CCCCN1C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001272973894 1194283133 /nfs/dbraw/zinc/28/31/33/1194283133.db2.gz IAUPDSRAIVBOJU-IAGOWNOFSA-N 2 2 330.476 2.382 10 30 EEEELP C=C(Cl)C[C@H]([NH3+])C(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC000876893097 1199808769 /nfs/dbraw/zinc/80/87/69/1199808769.db2.gz VNOZBOCZMUBHEL-JSGCOSHPSA-N 2 2 327.881 2.423 10 30 EEEELP C=CC[C@@H](C(=O)OC)[NH+]1CC[C@@H](Oc2ccnc(C[N@@H+](C)CC)c2)C1 ZINC000879019063 1200809093 /nfs/dbraw/zinc/80/90/93/1200809093.db2.gz NJLRIKBVZANKQO-MSOLQXFVSA-N 2 2 347.459 2.104 10 30 EEEELP C=CC[C@@H](C(=O)OC)[NH+]1CC[C@@H](Oc2ccnc(C[N@H+](C)CC)c2)C1 ZINC000879019063 1200809099 /nfs/dbraw/zinc/80/90/99/1200809099.db2.gz NJLRIKBVZANKQO-MSOLQXFVSA-N 2 2 347.459 2.104 10 30 EEEELP C=CC[C@@H](C(=O)OC)[N@@H+]1CC[C@@H](Oc2ccnc(C[NH+](C)CC)c2)C1 ZINC000879019063 1200809111 /nfs/dbraw/zinc/80/91/11/1200809111.db2.gz NJLRIKBVZANKQO-MSOLQXFVSA-N 2 2 347.459 2.104 10 30 EEEELP C=CC[C@@H](C(=O)OC)[N@H+]1CC[C@@H](Oc2ccnc(C[NH+](C)CC)c2)C1 ZINC000879019063 1200809119 /nfs/dbraw/zinc/80/91/19/1200809119.db2.gz NJLRIKBVZANKQO-MSOLQXFVSA-N 2 2 347.459 2.104 10 30 EEEELP C#CC[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC001275808670 1205544154 /nfs/dbraw/zinc/54/41/54/1205544154.db2.gz XCUZLHBIGICWKF-AEFFLSMTSA-N 2 2 338.455 2.083 10 30 EEEELP C=CCCC[N@@H+](CC)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000934649155 1207997747 /nfs/dbraw/zinc/99/77/47/1207997747.db2.gz LUSZERHXHOCDLG-UHFFFAOYSA-N 2 2 330.476 2.408 10 30 EEEELP C=CCCC[N@H+](CC)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000934649155 1207997749 /nfs/dbraw/zinc/99/77/49/1207997749.db2.gz LUSZERHXHOCDLG-UHFFFAOYSA-N 2 2 330.476 2.408 10 30 EEEELP C=C(C)CN(Cc1ccccc1)C(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001120557416 1309610244 /nfs/dbraw/zinc/61/02/44/1309610244.db2.gz JLERFCROUCKTDV-UHFFFAOYSA-N 2 2 330.476 2.197 10 30 EEEELP C#CC[NH+]1CCC([NH2+]C[C@@H](O)c2ccccc2Br)CC1 ZINC001120559404 1309610254 /nfs/dbraw/zinc/61/02/54/1309610254.db2.gz RNHOCMYNDCATED-MRXNPFEDSA-N 2 2 337.261 2.170 10 30 EEEELP C#CC[NH+]1CCC([NH2+]C[C@H](O)c2ccccc2Br)CC1 ZINC001120559403 1309610347 /nfs/dbraw/zinc/61/03/47/1309610347.db2.gz RNHOCMYNDCATED-INIZCTEOSA-N 2 2 337.261 2.170 10 30 EEEELP CC#CC[NH2+]Cc1ccc(CNC(=O)C[C@H](C)n2cc[nH+]c2)c(F)c1 ZINC001279722648 1323986431 /nfs/dbraw/zinc/98/64/31/1323986431.db2.gz MMHMSROQMHTCJR-HNNXBMFYSA-N 2 2 342.418 2.403 10 30 EEEELP C=CCC[C@@H](C)[N@H+]1C[C@@H]2[C@@H](CNC(=O)Cc3c[nH+]ccc3OC)[C@@H]2C1 ZINC001282859809 1325809674 /nfs/dbraw/zinc/80/96/74/1325809674.db2.gz DLOSYLUJWQOURW-DDBAPUKQSA-N 2 2 343.471 2.281 10 30 EEEELP C=CCC[C@@H](C)[N@@H+]1C[C@@H]2[C@@H](CNC(=O)Cc3c[nH+]ccc3OC)[C@@H]2C1 ZINC001282859809 1325809676 /nfs/dbraw/zinc/80/96/76/1325809676.db2.gz DLOSYLUJWQOURW-DDBAPUKQSA-N 2 2 343.471 2.281 10 30 EEEELP C=C(C)C[N@@H+]1CCC[C@H]1CCCNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001492159870 1331024035 /nfs/dbraw/zinc/02/40/35/1331024035.db2.gz KUCFPMIVBNXQAE-IAGOWNOFSA-N 2 2 330.476 2.382 10 30 EEEELP C=C(C)C[N@H+]1CCC[C@H]1CCCNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001492159870 1331024038 /nfs/dbraw/zinc/02/40/38/1331024038.db2.gz KUCFPMIVBNXQAE-IAGOWNOFSA-N 2 2 330.476 2.382 10 30 EEEELP C=CCC[NH2+][C@H]1CCCCCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001316773997 1331886348 /nfs/dbraw/zinc/88/63/48/1331886348.db2.gz SAXIUKXKUFVTTQ-SJORKVTESA-N 2 2 330.476 2.382 10 30 EEEELP C=C(C)CC[NH2+][C@H](C)CCNC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC001317403975 1332215983 /nfs/dbraw/zinc/21/59/83/1332215983.db2.gz JGGHWFVJCAEQDQ-AEFFLSMTSA-N 2 2 337.508 2.080 10 30 EEEELP C=C(C)CC[NH2+][C@H](C)CCNC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC001317403975 1332215985 /nfs/dbraw/zinc/21/59/85/1332215985.db2.gz JGGHWFVJCAEQDQ-AEFFLSMTSA-N 2 2 337.508 2.080 10 30 EEEELP C=CCCC[N@@H+]1CC[C@@H]([C@H]2CCCN(C(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC001328808178 1334526058 /nfs/dbraw/zinc/52/60/58/1334526058.db2.gz OLPSZGDPETZRFW-DLBZAZTESA-N 2 2 330.476 2.479 10 30 EEEELP C=CCCC[N@H+]1CC[C@@H]([C@H]2CCCN(C(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC001328808178 1334526062 /nfs/dbraw/zinc/52/60/62/1334526062.db2.gz OLPSZGDPETZRFW-DLBZAZTESA-N 2 2 330.476 2.479 10 30 EEEELP CC[NH2+]C1(CNC(=O)C#CC2CC2)CC[NH+](Cc2ccccc2)CC1 ZINC001333012558 1335947152 /nfs/dbraw/zinc/94/71/52/1335947152.db2.gz BJHPFLGAEZCXKM-UHFFFAOYSA-N 2 2 339.483 2.160 10 30 EEEELP C[N@@H+](CC#Cc1ccc(Cl)cc1)CCNC(=O)[C@@H]1CCCC[NH+]1C ZINC001567289055 1342734002 /nfs/dbraw/zinc/73/40/02/1342734002.db2.gz SJWCNWDVZAWGQI-SFHVURJKSA-N 2 2 347.890 2.224 10 30 EEEELP C[N@H+](CC#Cc1ccc(Cl)cc1)CCNC(=O)[C@@H]1CCCC[NH+]1C ZINC001567289055 1342734005 /nfs/dbraw/zinc/73/40/05/1342734005.db2.gz SJWCNWDVZAWGQI-SFHVURJKSA-N 2 2 347.890 2.224 10 30 EEEELP C[NH+](CC#Cc1ccc(Cl)cc1)CCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001567289055 1342734009 /nfs/dbraw/zinc/73/40/09/1342734009.db2.gz SJWCNWDVZAWGQI-SFHVURJKSA-N 2 2 347.890 2.224 10 30 EEEELP C[NH+](CC#Cc1ccc(Cl)cc1)CCNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001567289055 1342734012 /nfs/dbraw/zinc/73/40/12/1342734012.db2.gz SJWCNWDVZAWGQI-SFHVURJKSA-N 2 2 347.890 2.224 10 30 EEEELP C=CC[NH2+]C[C@@H]1CCCCN1C(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC001570515337 1343078128 /nfs/dbraw/zinc/07/81/28/1343078128.db2.gz SLXFBBLMGHLJHP-KRWDZBQOSA-N 2 2 326.444 2.342 10 30 EEEELP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]2C[N@@H+](C)CC(=C)Cl)CC1 ZINC001570547972 1343081401 /nfs/dbraw/zinc/08/14/01/1343081401.db2.gz IZBINNWDAXPGIU-KRWDZBQOSA-N 2 2 337.895 2.007 10 30 EEEELP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]2C[N@H+](C)CC(=C)Cl)CC1 ZINC001570547972 1343081404 /nfs/dbraw/zinc/08/14/04/1343081404.db2.gz IZBINNWDAXPGIU-KRWDZBQOSA-N 2 2 337.895 2.007 10 30 EEEELP CC#CC[NH2+]C[C@H](NC(=O)Cc1cn2c([nH+]1)CCCC2)C1CCCC1 ZINC001671530372 1356357480 /nfs/dbraw/zinc/35/74/80/1356357480.db2.gz LOCKZUZWGVUQAT-SFHVURJKSA-N 2 2 342.487 2.050 10 30 EEEELP C#CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)CCC[NH+]1CCCC1 ZINC001673639438 1356722222 /nfs/dbraw/zinc/72/22/22/1356722222.db2.gz JBKZKXXBKKCYKY-HXUWFJFHSA-N 2 2 339.483 2.039 10 30 EEEELP C#CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)CCC[NH+]1CCCC1 ZINC001673639438 1356722225 /nfs/dbraw/zinc/72/22/25/1356722225.db2.gz JBKZKXXBKKCYKY-HXUWFJFHSA-N 2 2 339.483 2.039 10 30 EEEELP C#CCC1(NC(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)CCC1 ZINC000920604900 770777346 /nfs/dbraw/zinc/77/73/46/770777346.db2.gz WNCLQUFRZGRPML-UHFFFAOYSA-N 2 2 346.519 2.182 10 30 EEEELP C=C(Cl)C[NH+]1CC[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C)C(C)(C)C1 ZINC000940842358 779398626 /nfs/dbraw/zinc/39/86/26/779398626.db2.gz DTWBPRAVZLWULC-HUUCEWRRSA-N 2 2 327.900 2.440 10 30 EEEELP C=C(Cl)C[NH+]1CC[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C)C(C)(C)C1 ZINC000940842358 779398631 /nfs/dbraw/zinc/39/86/31/779398631.db2.gz DTWBPRAVZLWULC-HUUCEWRRSA-N 2 2 327.900 2.440 10 30 EEEELP C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)[C@H]2CCCC[NH+]2C)C(C)(C)C1 ZINC000940842358 779398637 /nfs/dbraw/zinc/39/86/37/779398637.db2.gz DTWBPRAVZLWULC-HUUCEWRRSA-N 2 2 327.900 2.440 10 30 EEEELP C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCCC[NH+]2C)C(C)(C)C1 ZINC000940842358 779398645 /nfs/dbraw/zinc/39/86/45/779398645.db2.gz DTWBPRAVZLWULC-HUUCEWRRSA-N 2 2 327.900 2.440 10 30 EEEELP C=CCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C(C)(C)C1 ZINC000941040962 779784346 /nfs/dbraw/zinc/78/43/46/779784346.db2.gz CTFDOIJFINTVHP-BFYDXBDKSA-N 2 2 330.476 2.316 10 30 EEEELP C=CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C(C)(C)C1 ZINC000941040962 779784354 /nfs/dbraw/zinc/78/43/54/779784354.db2.gz CTFDOIJFINTVHP-BFYDXBDKSA-N 2 2 330.476 2.316 10 30 EEEELP C=C(CC[NH+](C)C)C(=O)N1CC[NH+](Cc2cc3ccccc3[nH]2)CC1 ZINC000913330861 788791897 /nfs/dbraw/zinc/79/18/97/788791897.db2.gz JYIWVKJFAPAHKY-UHFFFAOYSA-N 2 2 340.471 2.320 10 30 EEEELP C[C@@H](CNC(=O)C[C@H](C)n1cc[nH+]c1)[NH2+]Cc1ccc(C#N)cc1 ZINC001441961706 1096163002 /nfs/dbraw/zinc/16/30/02/1096163002.db2.gz DZUFOWMACVVOFQ-GJZGRUSLSA-N 2 2 325.416 2.000 10 30 EEEELP C=CCC[NH2+]CC[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001568068185 1124273342 /nfs/dbraw/zinc/27/33/42/1124273342.db2.gz RJZJLNYRAGQJBG-GVDBMIGSSA-N 2 2 330.476 2.318 10 30 EEEELP C[C@H](C[NH2+]CC#Cc1ccccc1)N(C)C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001568305078 1124412930 /nfs/dbraw/zinc/41/29/30/1124412930.db2.gz XSOWKZYATIIANZ-DLBZAZTESA-N 2 2 338.455 2.077 10 30 EEEELP CC#CC[NH2+]C[C@@H](NC(=O)[C@H]1CCn2c[nH+]cc2C1)C1CCCCC1 ZINC001568343748 1124428418 /nfs/dbraw/zinc/42/84/18/1124428418.db2.gz PBTLDFAECSHUSX-PKOBYXMFSA-N 2 2 342.487 2.124 10 30 EEEELP C[C@@H]1C[C@H]([NH+](C)[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC[N@@H+]1C ZINC000192612198 278014263 /nfs/dbraw/zinc/01/42/63/278014263.db2.gz RGPNHZCHSWCDCZ-ATZDWAIDSA-N 2 2 340.471 2.468 10 30 EEEELP C[C@@H]1C[C@H]([NH+](C)[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC[N@H+]1C ZINC000192612198 278014264 /nfs/dbraw/zinc/01/42/64/278014264.db2.gz RGPNHZCHSWCDCZ-ATZDWAIDSA-N 2 2 340.471 2.468 10 30 EEEELP C[C@@H]1C[C@H]([N@H+](C)[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC[NH+]1C ZINC000192612198 278014266 /nfs/dbraw/zinc/01/42/66/278014266.db2.gz RGPNHZCHSWCDCZ-ATZDWAIDSA-N 2 2 340.471 2.468 10 30 EEEELP C[C@@H]1C[C@H]([N@@H+](C)[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC[NH+]1C ZINC000192612198 278014268 /nfs/dbraw/zinc/01/42/68/278014268.db2.gz RGPNHZCHSWCDCZ-ATZDWAIDSA-N 2 2 340.471 2.468 10 30 EEEELP Cc1cc(N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)c(C#N)cn1 ZINC000425247180 467090479 /nfs/dbraw/zinc/09/04/79/467090479.db2.gz NJCBFXFTWMBJFG-JWTNVVGKSA-N 2 2 325.460 2.009 10 30 EEEELP Cc1cc(N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)c(C#N)cn1 ZINC000425247180 467090481 /nfs/dbraw/zinc/09/04/81/467090481.db2.gz NJCBFXFTWMBJFG-JWTNVVGKSA-N 2 2 325.460 2.009 10 30 EEEELP C[C@H](c1cccc(NC(=O)[C@H]([NH3+])CCCCC#N)c1)[NH+]1CCOCC1 ZINC000594439734 468588287 /nfs/dbraw/zinc/58/82/87/468588287.db2.gz YXLCLESUUBCWTA-CRAIPNDOSA-N 2 2 344.459 2.430 10 30 EEEELP C=CCOc1ccc(C[NH+]2CCN(C(=O)C[NH+](CC)CC)CC2)cc1 ZINC000093045144 526867320 /nfs/dbraw/zinc/86/73/20/526867320.db2.gz RSQCYYUNPXAGSS-UHFFFAOYSA-N 2 2 345.487 2.237 10 30 EEEELP COc1ccc(C[NH2+]CCc2cn(C)c[nH+]2)cc1OCCCC#N ZINC000459666213 536891812 /nfs/dbraw/zinc/89/18/12/536891812.db2.gz RAJQGYXTTXRRQL-UHFFFAOYSA-N 2 2 328.416 2.444 10 30 EEEELP NC(=[NH+]OCC[C@H]1CCCCO1)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000758761481 577630797 /nfs/dbraw/zinc/63/07/97/577630797.db2.gz LZTPLUVJBQELIM-GOSISDBHSA-N 2 2 347.459 2.115 10 30 EEEELP C=C(C)CC[NH+](CCNC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1)C1CC1 ZINC001266591941 1176902615 /nfs/dbraw/zinc/90/26/15/1176902615.db2.gz CLGXRHNTTQHXSK-GOSISDBHSA-N 2 2 345.491 2.337 10 30 EEEELP C=C(C)CC[NH+](CCNC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1)C1CC1 ZINC001266591941 1176902621 /nfs/dbraw/zinc/90/26/21/1176902621.db2.gz CLGXRHNTTQHXSK-GOSISDBHSA-N 2 2 345.491 2.337 10 30 EEEELP C=C(C)CC[N@@H+](CCNC(=O)c1cc([C@H]2CCC[NH+]2C)n[nH]1)C1CC1 ZINC001266591941 1176902633 /nfs/dbraw/zinc/90/26/33/1176902633.db2.gz CLGXRHNTTQHXSK-GOSISDBHSA-N 2 2 345.491 2.337 10 30 EEEELP C=C(C)CC[N@H+](CCNC(=O)c1cc([C@H]2CCC[NH+]2C)n[nH]1)C1CC1 ZINC001266591941 1176902638 /nfs/dbraw/zinc/90/26/38/1176902638.db2.gz CLGXRHNTTQHXSK-GOSISDBHSA-N 2 2 345.491 2.337 10 30 EEEELP C=CCC[C@H](C)[N@H+](CCNC(=O)[C@H]1CCc2[nH+]ccn2C1)C1CC1 ZINC001266600215 1176922033 /nfs/dbraw/zinc/92/20/33/1176922033.db2.gz NBEWGWAUVZYQBK-HOTGVXAUSA-N 2 2 330.476 2.381 10 30 EEEELP C=CCC[C@H](C)[N@@H+](CCNC(=O)[C@H]1CCc2[nH+]ccn2C1)C1CC1 ZINC001266600215 1176922040 /nfs/dbraw/zinc/92/20/40/1176922040.db2.gz NBEWGWAUVZYQBK-HOTGVXAUSA-N 2 2 330.476 2.381 10 30 EEEELP C=C(C)CC[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC001267054530 1178160934 /nfs/dbraw/zinc/16/09/34/1178160934.db2.gz DPULWVJRACJJFF-HKUYNNGSSA-N 2 2 349.519 2.034 10 30 EEEELP C=C(C)CC[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2COCC[N@H+]2C2CCCC2)C1 ZINC001267054530 1178160936 /nfs/dbraw/zinc/16/09/36/1178160936.db2.gz DPULWVJRACJJFF-HKUYNNGSSA-N 2 2 349.519 2.034 10 30 EEEELP C#CC[NH2+][C@H](CNC(=O)C[C@H](C)n1cc[nH+]c1CC)c1ccccc1 ZINC001481367806 1181140935 /nfs/dbraw/zinc/14/09/35/1181140935.db2.gz ZKRBTBAAEKNKQZ-FUHWJXTLSA-N 2 2 338.455 2.477 10 30 EEEELP C=CCC[C@@H](C)[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001268944047 1183840631 /nfs/dbraw/zinc/84/06/31/1183840631.db2.gz HUIFQCNNMMIXJP-NJAFHUGGSA-N 2 2 342.487 2.402 10 30 EEEELP C=CCC[C@@H](C)[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001268944047 1183840632 /nfs/dbraw/zinc/84/06/32/1183840632.db2.gz HUIFQCNNMMIXJP-NJAFHUGGSA-N 2 2 342.487 2.402 10 30 EEEELP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@]1(C)CCC[NH+](CC(=C)Cl)C1 ZINC001270965688 1185776933 /nfs/dbraw/zinc/77/69/33/1185776933.db2.gz NDFKDCJDGJEHGG-FUHWJXTLSA-N 2 2 337.895 2.055 10 30 EEEELP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@]1(C)CCC[NH+](CC(=C)Cl)C1 ZINC001270965688 1185776937 /nfs/dbraw/zinc/77/69/37/1185776937.db2.gz NDFKDCJDGJEHGG-FUHWJXTLSA-N 2 2 337.895 2.055 10 30 EEEELP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@]1(C)CCC[N@H+](CC(=C)Cl)C1 ZINC001270965688 1185776941 /nfs/dbraw/zinc/77/69/41/1185776941.db2.gz NDFKDCJDGJEHGG-FUHWJXTLSA-N 2 2 337.895 2.055 10 30 EEEELP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@]1(C)CCC[N@@H+](CC(=C)Cl)C1 ZINC001270965688 1185776946 /nfs/dbraw/zinc/77/69/46/1185776946.db2.gz NDFKDCJDGJEHGG-FUHWJXTLSA-N 2 2 337.895 2.055 10 30 EEEELP CC#CC[NH2+][C@@H](CNC(=O)Cn1cc[nH+]c1C)c1ccccc1CC ZINC001271463225 1186252020 /nfs/dbraw/zinc/25/20/20/1186252020.db2.gz YARJBCDHONARHM-IBGZPJMESA-N 2 2 338.455 2.224 10 30 EEEELP C[C@@H](CCNC(=O)CCc1c[nH]c[nH+]1)[NH2+]CC#Cc1ccc(F)cc1 ZINC001274731785 1205145544 /nfs/dbraw/zinc/14/55/44/1205145544.db2.gz HNKFQMSRRAPEET-HNNXBMFYSA-N 2 2 342.418 2.018 10 30 EEEELP C[C@@H](CCNC(=O)CCc1c[nH+]c[nH]1)[NH2+]CC#Cc1ccc(F)cc1 ZINC001274731785 1205145545 /nfs/dbraw/zinc/14/55/45/1205145545.db2.gz HNKFQMSRRAPEET-HNNXBMFYSA-N 2 2 342.418 2.018 10 30 EEEELP C=CCCC[N@@H+]1CC[C@H]([C@@H]2CCCN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC001275184486 1205276875 /nfs/dbraw/zinc/27/68/75/1205276875.db2.gz PNQPNIZBRWRTFM-MSOLQXFVSA-N 2 2 330.476 2.410 10 30 EEEELP C=CCCC[N@H+]1CC[C@H]([C@@H]2CCCN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC001275184486 1205276878 /nfs/dbraw/zinc/27/68/78/1205276878.db2.gz PNQPNIZBRWRTFM-MSOLQXFVSA-N 2 2 330.476 2.410 10 30 EEEELP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N(C)CCC[NH2+]CC#Cc1ccccc1 ZINC001276272557 1205863732 /nfs/dbraw/zinc/86/37/32/1205863732.db2.gz ZPRTYLZHUDXJLX-QGZVFWFLSA-N 2 2 338.455 2.078 10 30 EEEELP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N(C)CCC[NH2+]CC#Cc1ccccc1 ZINC001276272557 1205863734 /nfs/dbraw/zinc/86/37/34/1205863734.db2.gz ZPRTYLZHUDXJLX-QGZVFWFLSA-N 2 2 338.455 2.078 10 30 EEEELP C[C@H](CNC(=[NH2+])NC1CCCCC1)[NH+]1CCN(c2ccccc2)CC1 ZINC000303900900 1213922249 /nfs/dbraw/zinc/92/22/49/1213922249.db2.gz SLFVJBDOCNANAD-QGZVFWFLSA-N 2 2 343.519 2.434 10 30 EEEELP C=C(C)C[NH2+]CC[C@H]1CCCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001267889107 1276765565 /nfs/dbraw/zinc/76/55/65/1276765565.db2.gz ZSVCPMVZYLZZPK-IAGOWNOFSA-N 2 2 330.476 2.240 10 30 EEEELP C=CCCC[N@H+]1CCC[C@@H](CNC(=O)Cc2c[nH+]ccc2OC)C1 ZINC001265587236 1323244230 /nfs/dbraw/zinc/24/42/30/1323244230.db2.gz YPHDCINBVCSTRU-INIZCTEOSA-N 2 2 331.460 2.427 10 30 EEEELP C=CCCC[N@@H+]1CCC[C@@H](CNC(=O)Cc2c[nH+]ccc2OC)C1 ZINC001265587236 1323244233 /nfs/dbraw/zinc/24/42/33/1323244233.db2.gz YPHDCINBVCSTRU-INIZCTEOSA-N 2 2 331.460 2.427 10 30 EEEELP C=CCC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)CCn1cc[nH+]c1 ZINC001281073108 1324753524 /nfs/dbraw/zinc/75/35/24/1324753524.db2.gz VACNZMMJOAKBAJ-LJQANCHMSA-N 2 2 338.455 2.392 10 30 EEEELP C=CCC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)CCn1cc[nH+]c1 ZINC001281073108 1324753527 /nfs/dbraw/zinc/75/35/27/1324753527.db2.gz VACNZMMJOAKBAJ-LJQANCHMSA-N 2 2 338.455 2.392 10 30 EEEELP C=C(C)C[NH2+][C@H](C)C1CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC001317673007 1332363742 /nfs/dbraw/zinc/36/37/42/1332363742.db2.gz DFWWLQYLDFBOJD-WBVHZDCISA-N 2 2 330.476 2.238 10 30 EEEELP C[C@H](C[NH2+]CC#Cc1ccc(F)cc1)NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001321661545 1333139473 /nfs/dbraw/zinc/13/94/73/1333139473.db2.gz OOGSKEXLQOPURY-HZPDHXFCSA-N 2 2 342.418 2.119 10 30 EEEELP C#CCN(C(=O)Cc1[nH]cc[nH+]1)C1CC[NH+](CCC(C)(C)C)CC1 ZINC001324432085 1333682328 /nfs/dbraw/zinc/68/23/28/1333682328.db2.gz PFFIADNXPSOEOD-UHFFFAOYSA-N 2 2 330.476 2.315 10 30 EEEELP C=CCCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001325899167 1333988612 /nfs/dbraw/zinc/98/86/12/1333988612.db2.gz OGALREOSLKZHLE-BHIYHBOVSA-N 2 2 342.487 2.477 10 30 EEEELP C=CCCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001325899167 1333988613 /nfs/dbraw/zinc/98/86/13/1333988613.db2.gz OGALREOSLKZHLE-BHIYHBOVSA-N 2 2 342.487 2.477 10 30 EEEELP C=CCCC[NH2+]CC1(NC(=O)c2cccc3[nH+]ccn32)CCOCC1 ZINC001502631994 1342217673 /nfs/dbraw/zinc/21/76/73/1342217673.db2.gz SCLHBNRXHGHLRW-UHFFFAOYSA-N 2 2 342.443 2.169 10 30 EEEELP CC[NH2+]C1(CNC(=O)C#CC(C)C)CC[NH+](Cc2ccccc2)CC1 ZINC001677371059 1357322098 /nfs/dbraw/zinc/32/20/98/1357322098.db2.gz DRCARWUYEOTALE-UHFFFAOYSA-N 2 2 341.499 2.406 10 30 EEEELP C=C(Br)C[NH+](C)CCCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001660277097 1354428718 /nfs/dbraw/zinc/42/87/18/1354428718.db2.gz AYZCGUBEVKGOFZ-KBPBESRZSA-N 2 2 346.313 2.063 10 30 EEEELP C=C(Br)C[NH+](C)CCCNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001660277097 1354428720 /nfs/dbraw/zinc/42/87/20/1354428720.db2.gz AYZCGUBEVKGOFZ-KBPBESRZSA-N 2 2 346.313 2.063 10 30 EEEELP C=C(Br)C[N@@H+](C)CCCNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001660277097 1354428723 /nfs/dbraw/zinc/42/87/23/1354428723.db2.gz AYZCGUBEVKGOFZ-KBPBESRZSA-N 2 2 346.313 2.063 10 30 EEEELP C=C(Br)C[N@H+](C)CCCNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001660277097 1354428725 /nfs/dbraw/zinc/42/87/25/1354428725.db2.gz AYZCGUBEVKGOFZ-KBPBESRZSA-N 2 2 346.313 2.063 10 30 EEEELP C=C(C)C[N@H+](CCCNC(=O)Cc1cn2c([nH+]1)CCCC2)C1CC1 ZINC001660685125 1354516528 /nfs/dbraw/zinc/51/65/28/1354516528.db2.gz IVQKDXBWUOKPRD-UHFFFAOYSA-N 2 2 330.476 2.309 10 30 EEEELP C=C(C)C[N@@H+](CCCNC(=O)Cc1cn2c([nH+]1)CCCC2)C1CC1 ZINC001660685125 1354516529 /nfs/dbraw/zinc/51/65/29/1354516529.db2.gz IVQKDXBWUOKPRD-UHFFFAOYSA-N 2 2 330.476 2.309 10 30 EEEELP CC#CC[N@@H+]1CC[C@H](CCNC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001664721496 1355222636 /nfs/dbraw/zinc/22/26/36/1355222636.db2.gz DVXBLTZHTHGKSU-ZWKOTPCHSA-N 2 2 330.476 2.322 10 30 EEEELP CC#CC[N@H+]1CC[C@H](CCNC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001664721496 1355222640 /nfs/dbraw/zinc/22/26/40/1355222640.db2.gz DVXBLTZHTHGKSU-ZWKOTPCHSA-N 2 2 330.476 2.322 10 30 EEEELP CC#CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001664817330 1355234405 /nfs/dbraw/zinc/23/44/05/1355234405.db2.gz FXDLYHXXAJNBAD-ROUUACIJSA-N 2 2 330.476 2.274 10 30 EEEELP CC#CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001664817330 1355234408 /nfs/dbraw/zinc/23/44/08/1355234408.db2.gz FXDLYHXXAJNBAD-ROUUACIJSA-N 2 2 330.476 2.274 10 30 EEEELP CC#CC[NH2+][C@H](C)[C@@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001699943576 1405593019 /nfs/dbraw/zinc/59/30/19/1405593019.db2.gz JKIDJSIXEBGTPT-SJLPKXTDSA-N 2 2 336.439 2.336 10 30 EEEELP CC#CC[N@@H+]1CC[C@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)CC(C)(C)C1 ZINC001566131327 1125583516 /nfs/dbraw/zinc/58/35/16/1125583516.db2.gz KHDILKFSKSIQKF-SJORKVTESA-N 2 2 330.476 2.464 10 30 EEEELP CC#CC[N@H+]1CC[C@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)CC(C)(C)C1 ZINC001566131327 1125583521 /nfs/dbraw/zinc/58/35/21/1125583521.db2.gz KHDILKFSKSIQKF-SJORKVTESA-N 2 2 330.476 2.464 10 30 EEEELP C=C(Cl)C[N@H+]1CC[C@@H](CNC(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001437741493 1090303698 /nfs/dbraw/zinc/30/36/98/1090303698.db2.gz QQFMNWOXWJHKBJ-RDJZCZTQSA-N 2 2 335.879 2.480 10 30 EEEELP C=C(Cl)C[N@@H+]1CC[C@@H](CNC(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001437741493 1090303705 /nfs/dbraw/zinc/30/37/05/1090303705.db2.gz QQFMNWOXWJHKBJ-RDJZCZTQSA-N 2 2 335.879 2.480 10 30 EEEELP CCC[N@H+](C)CC(=O)N[C@H]1CC[NH+](Cc2cc(C#N)ccc2F)[C@@H]1C ZINC001479724503 1098818121 /nfs/dbraw/zinc/81/81/21/1098818121.db2.gz NYEKSBTWMFYWOM-KDOFPFPSSA-N 2 2 346.450 2.118 10 30 EEEELP CCC[N@@H+](C)CC(=O)N[C@H]1CC[NH+](Cc2cc(C#N)ccc2F)[C@@H]1C ZINC001479724503 1098818131 /nfs/dbraw/zinc/81/81/31/1098818131.db2.gz NYEKSBTWMFYWOM-KDOFPFPSSA-N 2 2 346.450 2.118 10 30 EEEELP CCC[NH+](C)CC(=O)N[C@H]1CC[N@H+](Cc2cc(C#N)ccc2F)[C@@H]1C ZINC001479724503 1098818143 /nfs/dbraw/zinc/81/81/43/1098818143.db2.gz NYEKSBTWMFYWOM-KDOFPFPSSA-N 2 2 346.450 2.118 10 30 EEEELP CCC[NH+](C)CC(=O)N[C@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)[C@@H]1C ZINC001479724503 1098818151 /nfs/dbraw/zinc/81/81/51/1098818151.db2.gz NYEKSBTWMFYWOM-KDOFPFPSSA-N 2 2 346.450 2.118 10 30 EEEELP C[C@H](C[NH2+]Cc1ccccc1C#N)N(C)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001444674163 1099516557 /nfs/dbraw/zinc/51/65/57/1099516557.db2.gz AORSJKYTTUZNCB-JKSUJKDBSA-N 2 2 339.443 2.343 10 30 EEEELP C#CCC[NH2+]C[C@@H](CC(C)C)NC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC001496297659 1100882849 /nfs/dbraw/zinc/88/28/49/1100882849.db2.gz WLMPHYWLMTXJRB-QGZVFWFLSA-N 2 2 340.471 2.329 10 30 EEEELP C=C(C)C[NH2+]C[C@@](C)(NC(=O)Cc1cn2c([nH+]1)CCCC2)C1CC1 ZINC001495251754 1100947609 /nfs/dbraw/zinc/94/76/09/1100947609.db2.gz WOLVPEUUIIAYMQ-LJQANCHMSA-N 2 2 330.476 2.213 10 30 EEEELP C#CCC[N@@H+](C)CCC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001496504938 1101102317 /nfs/dbraw/zinc/10/23/17/1101102317.db2.gz NJCPSUSRZIZVQZ-IAGOWNOFSA-N 2 2 328.460 2.097 10 30 EEEELP C#CCC[N@H+](C)CCC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001496504938 1101102322 /nfs/dbraw/zinc/10/23/22/1101102322.db2.gz NJCPSUSRZIZVQZ-IAGOWNOFSA-N 2 2 328.460 2.097 10 30 EEEELP C#CCC[N@@H+](C)CCC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001496504938 1101102327 /nfs/dbraw/zinc/10/23/27/1101102327.db2.gz NJCPSUSRZIZVQZ-IAGOWNOFSA-N 2 2 328.460 2.097 10 30 EEEELP C#CCC[N@H+](C)CCC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001496504938 1101102332 /nfs/dbraw/zinc/10/23/32/1101102332.db2.gz NJCPSUSRZIZVQZ-IAGOWNOFSA-N 2 2 328.460 2.097 10 30 EEEELP C=CCC[NH2+]Cc1ccc(CNC(=O)[C@H]2CCn3cc[nH+]c3C2)cc1 ZINC001495488110 1101197976 /nfs/dbraw/zinc/19/79/76/1101197976.db2.gz CCKSUSJTFZCIPE-SFHVURJKSA-N 2 2 338.455 2.428 10 30 EEEELP C=C(C)C[NH+]1CCC(NC(=O)[C@@H](CC)[N@@H+]2CCO[C@H](CC)C2)CC1 ZINC001464911318 1110407375 /nfs/dbraw/zinc/40/73/75/1110407375.db2.gz XTJVOYKKMMNEHN-QZTJIDSGSA-N 2 2 337.508 2.033 10 30 EEEELP C=C(C)C[NH+]1CCC(NC(=O)[C@@H](CC)[N@H+]2CCO[C@H](CC)C2)CC1 ZINC001464911318 1110407377 /nfs/dbraw/zinc/40/73/77/1110407377.db2.gz XTJVOYKKMMNEHN-QZTJIDSGSA-N 2 2 337.508 2.033 10 30 EEEELP C#CC[N@@H+](CCNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1)C1CCCCCC1 ZINC001499523039 1112339578 /nfs/dbraw/zinc/33/95/78/1112339578.db2.gz XPQPOTABNFFIQV-INIZCTEOSA-N 2 2 330.476 2.363 10 30 EEEELP C#CC[N@H+](CCNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1)C1CCCCCC1 ZINC001499523039 1112339582 /nfs/dbraw/zinc/33/95/82/1112339582.db2.gz XPQPOTABNFFIQV-INIZCTEOSA-N 2 2 330.476 2.363 10 30 EEEELP C#CC[N@@H+](CCNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1)C1CCCCCC1 ZINC001499523039 1112339590 /nfs/dbraw/zinc/33/95/90/1112339590.db2.gz XPQPOTABNFFIQV-INIZCTEOSA-N 2 2 330.476 2.363 10 30 EEEELP C#CC[N@H+](CCNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1)C1CCCCCC1 ZINC001499523039 1112339594 /nfs/dbraw/zinc/33/95/94/1112339594.db2.gz XPQPOTABNFFIQV-INIZCTEOSA-N 2 2 330.476 2.363 10 30 EEEELP C=CCOCC[N@H+]1CC[C@H](NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C(C)(C)C1 ZINC001502833893 1113825714 /nfs/dbraw/zinc/82/57/14/1113825714.db2.gz BFQZFOJWDFWFTR-RDJZCZTQSA-N 2 2 348.491 2.008 10 30 EEEELP C=CCOCC[N@@H+]1CC[C@H](NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C(C)(C)C1 ZINC001502833893 1113825717 /nfs/dbraw/zinc/82/57/17/1113825717.db2.gz BFQZFOJWDFWFTR-RDJZCZTQSA-N 2 2 348.491 2.008 10 30 EEEELP C=CCOCC[N@H+]1CC[C@H](NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C(C)(C)C1 ZINC001502833893 1113825721 /nfs/dbraw/zinc/82/57/21/1113825721.db2.gz BFQZFOJWDFWFTR-RDJZCZTQSA-N 2 2 348.491 2.008 10 30 EEEELP C=CCOCC[N@@H+]1CC[C@H](NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C(C)(C)C1 ZINC001502833893 1113825724 /nfs/dbraw/zinc/82/57/24/1113825724.db2.gz BFQZFOJWDFWFTR-RDJZCZTQSA-N 2 2 348.491 2.008 10 30 EEEELP CC#CC[N@H+](C)C[C@@H]1CCCN1C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001505440464 1113974122 /nfs/dbraw/zinc/97/41/22/1113974122.db2.gz SMZHLEYTKGYUGN-IBGZPJMESA-N 2 2 336.439 2.432 10 30 EEEELP CC#CC[N@@H+](C)C[C@@H]1CCCN1C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001505440464 1113974126 /nfs/dbraw/zinc/97/41/26/1113974126.db2.gz SMZHLEYTKGYUGN-IBGZPJMESA-N 2 2 336.439 2.432 10 30 EEEELP CC#CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001507012349 1115053561 /nfs/dbraw/zinc/05/35/61/1115053561.db2.gz SHRQFQBRLODIKE-MSOLQXFVSA-N 2 2 330.476 2.320 10 30 EEEELP C[C@@H](C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)n1cccn1 ZINC000329619371 539778212 /nfs/dbraw/zinc/77/82/12/539778212.db2.gz GKMMWGMFIQXGAX-INIZCTEOSA-N 2 2 333.480 2.351 10 30 EEEELP Cc1cc(C)c(C#N)c(N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)n1 ZINC000364870717 165302075 /nfs/dbraw/zinc/30/20/75/165302075.db2.gz WLHGJNOAONCYPV-JWTNVVGKSA-N 2 2 339.487 2.317 10 30 EEEELP Cc1cc(C)c(C#N)c(N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)n1 ZINC000364870717 165302080 /nfs/dbraw/zinc/30/20/80/165302080.db2.gz WLHGJNOAONCYPV-JWTNVVGKSA-N 2 2 339.487 2.317 10 30 EEEELP C[C@@H]([NH2+]C[C@H]1CCCn2cc[nH+]c21)C(=O)NC1(C#N)CCCCC1 ZINC000089448618 462682579 /nfs/dbraw/zinc/68/25/79/462682579.db2.gz FRFPIHRDEQHXIL-HUUCEWRRSA-N 2 2 329.448 2.081 10 30 EEEELP N#Cc1ccc(NC(=O)C[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)cc1 ZINC000195515704 464063848 /nfs/dbraw/zinc/06/38/48/464063848.db2.gz YFYHDZCNJARJOB-MRXNPFEDSA-N 2 2 335.411 2.326 10 30 EEEELP N#Cc1ccc(NC(=O)C[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)cc1 ZINC000195515704 464063856 /nfs/dbraw/zinc/06/38/56/464063856.db2.gz YFYHDZCNJARJOB-MRXNPFEDSA-N 2 2 335.411 2.326 10 30 EEEELP C[C@H]([NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1)C(=O)N(C)CCC#N ZINC000180656484 464361867 /nfs/dbraw/zinc/36/18/67/464361867.db2.gz BMISVDZJOHBMEW-GJZGRUSLSA-N 2 2 325.416 2.283 10 30 EEEELP C=CCc1cc(C[NH2+]C[C@H]2CCCC[N@@H+]2CCO)cc(OC)c1O ZINC000449398999 467639260 /nfs/dbraw/zinc/63/92/60/467639260.db2.gz ZKFHKCKXMNYUME-QGZVFWFLSA-N 2 2 334.460 2.066 10 30 EEEELP C=CCc1cc(C[NH2+]C[C@H]2CCCC[N@H+]2CCO)cc(OC)c1O ZINC000449398999 467639265 /nfs/dbraw/zinc/63/92/65/467639265.db2.gz ZKFHKCKXMNYUME-QGZVFWFLSA-N 2 2 334.460 2.066 10 30 EEEELP Cn1cc[nH+]c1[C@@H](NC(=O)[C@H]([NH3+])CCCCC#N)c1ccccc1 ZINC000594440312 468589176 /nfs/dbraw/zinc/58/91/76/468589176.db2.gz BZYULZMFCNZQFO-CVEARBPZSA-N 2 2 325.416 2.037 10 30 EEEELP CC[C@H](C[NH2+]C[C@@H](O)CC1(C#N)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000600715787 468630768 /nfs/dbraw/zinc/63/07/68/468630768.db2.gz CQCOPRWEWQWRFW-MOPGFXCFSA-N 2 2 327.472 2.468 10 30 EEEELP CC[C@H](C[NH2+]C[C@@H](O)CC1(C#N)CC1)[N@H+]1CCc2ccccc2C1 ZINC000600715787 468630771 /nfs/dbraw/zinc/63/07/71/468630771.db2.gz CQCOPRWEWQWRFW-MOPGFXCFSA-N 2 2 327.472 2.468 10 30 EEEELP N#CC1(C[C@H](O)C[NH2+]C2CC([NH+]3CCC(C(F)(F)F)CC3)C2)CC1 ZINC000600734982 468641955 /nfs/dbraw/zinc/64/19/55/468641955.db2.gz JFBHQGHEVPJHMB-NRXISQOPSA-N 2 2 345.409 2.436 10 30 EEEELP C[C@H]([NH2+]C[C@H](O)CC1(C#N)CCOCC1)[C@H](c1ccccc1)[NH+](C)C ZINC000600737453 468642911 /nfs/dbraw/zinc/64/29/11/468642911.db2.gz WOEUDAAPZCGIHD-QXAKKESOSA-N 2 2 345.487 2.339 10 30 EEEELP C[NH+](C)CCC[N@H+](C)CCNC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000596641340 469319278 /nfs/dbraw/zinc/31/92/78/469319278.db2.gz UNXWJJVHJLWOJV-UHFFFAOYSA-N 2 2 337.855 2.217 10 30 EEEELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000596641340 469319283 /nfs/dbraw/zinc/31/92/83/469319283.db2.gz UNXWJJVHJLWOJV-UHFFFAOYSA-N 2 2 337.855 2.217 10 30 EEEELP C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CCC(CC)([NH+]2CCOCC2)CC1 ZINC000626087341 469498237 /nfs/dbraw/zinc/49/82/37/469498237.db2.gz KQWDUEQSBFXHCA-GOSISDBHSA-N 2 2 349.519 2.152 10 30 EEEELP C=CC[C@]1(C(=O)N2CC[NH+](Cc3ccccc3OC)CC2)CCC[NH2+]1 ZINC000662714798 472219871 /nfs/dbraw/zinc/21/98/71/472219871.db2.gz BWYBCGLVRJXSAM-HXUWFJFHSA-N 2 2 343.471 2.038 10 30 EEEELP C#CCC[NH2+][C@@H](C)[C@H]1CCCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001772513766 1176481912 /nfs/dbraw/zinc/48/19/12/1176481912.db2.gz SPENAMLWSPXLHH-WMZOPIPTSA-N 2 2 338.455 2.496 10 30 EEEELP CC(C)c1[nH+]ccn1CC(=O)N(C)CC[NH2+]Cc1ccccc1C#N ZINC001266850926 1177550714 /nfs/dbraw/zinc/55/07/14/1177550714.db2.gz SDHAVIPDQAVXDT-UHFFFAOYSA-N 2 2 339.443 2.126 10 30 EEEELP C=C(C)CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001691235532 1177749690 /nfs/dbraw/zinc/74/96/90/1177749690.db2.gz BHOJZWWZJOYBKS-GVDBMIGSSA-N 2 2 330.476 2.286 10 30 EEEELP C=CCCC[NH2+][C@H]1C[C@@H](CNC(=O)c2cc([C@H]3CCC[N@H+]3C)n[nH]2)C1 ZINC001691444105 1178824541 /nfs/dbraw/zinc/82/45/41/1178824541.db2.gz OULBHCYDYIYVNP-RVKKMQEKSA-N 2 2 345.491 2.241 10 30 EEEELP C=CCCC[NH2+][C@H]1C[C@@H](CNC(=O)c2cc([C@H]3CCC[N@@H+]3C)n[nH]2)C1 ZINC001691444105 1178824547 /nfs/dbraw/zinc/82/45/47/1178824547.db2.gz OULBHCYDYIYVNP-RVKKMQEKSA-N 2 2 345.491 2.241 10 30 EEEELP C=CCC[NH2+][C@@H](CNC(=O)[C@@H]1CCn2cc[nH+]c2C1)c1ccccc1 ZINC001267520080 1179247171 /nfs/dbraw/zinc/24/71/71/1179247171.db2.gz IXYXXEUQWWFHLX-MSOLQXFVSA-N 2 2 338.455 2.469 10 30 EEEELP CCCCCCC[NH+]1CC(CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001268844410 1183762968 /nfs/dbraw/zinc/76/29/68/1183762968.db2.gz RDWYZMCSKOFNOO-QGZVFWFLSA-N 2 2 332.492 2.464 10 30 EEEELP C=CC[NH+]1CCC[C@](C)(CNC(=O)[C@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC001270981876 1185788278 /nfs/dbraw/zinc/78/82/78/1185788278.db2.gz DBAYNUJZXWHPRZ-UYAOXDASSA-N 2 2 349.519 2.034 10 30 EEEELP C=CC[NH+]1CCC[C@](C)(CNC(=O)[C@H]2COCC[N@H+]2C2CCCC2)C1 ZINC001270981876 1185788282 /nfs/dbraw/zinc/78/82/82/1185788282.db2.gz DBAYNUJZXWHPRZ-UYAOXDASSA-N 2 2 349.519 2.034 10 30 EEEELP C=CC[N@H+]1CCC[C@](C)(CNC(=O)[C@H]2COCC[NH+]2C2CCCC2)C1 ZINC001270981876 1185788287 /nfs/dbraw/zinc/78/82/87/1185788287.db2.gz DBAYNUJZXWHPRZ-UYAOXDASSA-N 2 2 349.519 2.034 10 30 EEEELP C=CC[N@@H+]1CCC[C@](C)(CNC(=O)[C@H]2COCC[NH+]2C2CCCC2)C1 ZINC001270981876 1185788292 /nfs/dbraw/zinc/78/82/92/1185788292.db2.gz DBAYNUJZXWHPRZ-UYAOXDASSA-N 2 2 349.519 2.034 10 30 EEEELP C#CCC[NH2+]C[C@H]1CC[C@H](CNC(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001271783013 1186480493 /nfs/dbraw/zinc/48/04/93/1186480493.db2.gz MUISSSYVAURVHY-KZNAEPCWSA-N 2 2 330.476 2.370 10 30 EEEELP C#CC[NH2+]C1CCC(N(C)C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001485239184 1191705519 /nfs/dbraw/zinc/70/55/19/1191705519.db2.gz DRBZQLMXVCDHPC-DAWZGUTISA-N 2 2 330.476 2.463 10 30 EEEELP C#CCC1([NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)CCOCC1 ZINC000887122253 1204208851 /nfs/dbraw/zinc/20/88/51/1204208851.db2.gz PVORMHNOESWJQE-FQEVSTJZSA-N 2 2 342.483 2.440 10 30 EEEELP C#CCC1([NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)CCOCC1 ZINC000887122253 1204208852 /nfs/dbraw/zinc/20/88/52/1204208852.db2.gz PVORMHNOESWJQE-FQEVSTJZSA-N 2 2 342.483 2.440 10 30 EEEELP C=CCC[NH2+][C@H](CCN(C)C(=O)[C@@H]1CCn2cc[nH+]c2C1)C(C)C ZINC001276128301 1205789339 /nfs/dbraw/zinc/78/93/39/1205789339.db2.gz CMVDLEQSSRAQNC-IAGOWNOFSA-N 2 2 332.492 2.484 10 30 EEEELP N#Cc1ccc(OCC[NH+]2CCC([N@@H+]3CCCOCC3)CC2)cc1 ZINC000931290803 1206622442 /nfs/dbraw/zinc/62/24/42/1206622442.db2.gz GJZSNGRGKDUHCY-UHFFFAOYSA-N 2 2 329.444 2.124 10 30 EEEELP N#Cc1ccc(OCC[NH+]2CCC([N@H+]3CCCOCC3)CC2)cc1 ZINC000931290803 1206622443 /nfs/dbraw/zinc/62/24/43/1206622443.db2.gz GJZSNGRGKDUHCY-UHFFFAOYSA-N 2 2 329.444 2.124 10 30 EEEELP C[C@H](C#N)Oc1ccc(C[NH+]2CCC([N@@H+]3CC[C@H](O)C3)CC2)cc1 ZINC000827701028 1248655713 /nfs/dbraw/zinc/65/57/13/1248655713.db2.gz ZMTLPDPXKMCWPD-QAPCUYQASA-N 2 2 329.444 2.008 10 30 EEEELP C[C@H](C#N)Oc1ccc(C[NH+]2CCC([N@H+]3CC[C@H](O)C3)CC2)cc1 ZINC000827701028 1248655726 /nfs/dbraw/zinc/65/57/26/1248655726.db2.gz ZMTLPDPXKMCWPD-QAPCUYQASA-N 2 2 329.444 2.008 10 30 EEEELP C=CCC[C@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O)[C@]1(C)CCCCO1 ZINC000903064655 1239650977 /nfs/dbraw/zinc/65/09/77/1239650977.db2.gz QBDZSWIEISZNLH-LNLFQRSKSA-N 2 2 337.508 2.210 10 30 EEEELP C=CCC[C@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O)[C@]1(C)CCCCO1 ZINC000903064655 1239650984 /nfs/dbraw/zinc/65/09/84/1239650984.db2.gz QBDZSWIEISZNLH-LNLFQRSKSA-N 2 2 337.508 2.210 10 30 EEEELP CC[N@H+](C)Cc1cc(O[C@@H]2CC[NH+](C[C@@H](C#N)CCC#N)C2)ccn1 ZINC000856592576 1293575573 /nfs/dbraw/zinc/57/55/73/1293575573.db2.gz KNTATQLQYIPWKU-VQIMIIECSA-N 2 2 341.459 2.430 10 30 EEEELP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](C[C@@H](C#N)CCC#N)C2)ccn1 ZINC000856592576 1293575578 /nfs/dbraw/zinc/57/55/78/1293575578.db2.gz KNTATQLQYIPWKU-VQIMIIECSA-N 2 2 341.459 2.430 10 30 EEEELP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](C[C@@H](C#N)CCC#N)C2)ccn1 ZINC000856592576 1293575587 /nfs/dbraw/zinc/57/55/87/1293575587.db2.gz KNTATQLQYIPWKU-VQIMIIECSA-N 2 2 341.459 2.430 10 30 EEEELP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](C[C@@H](C#N)CCC#N)C2)ccn1 ZINC000856592576 1293575593 /nfs/dbraw/zinc/57/55/93/1293575593.db2.gz KNTATQLQYIPWKU-VQIMIIECSA-N 2 2 341.459 2.430 10 30 EEEELP CC[C@H](C(=O)N[C@H]1CCC[N@H+](CC#Cc2ccc(F)cc2)C1)[NH+](C)C ZINC001265230805 1322998456 /nfs/dbraw/zinc/99/84/56/1322998456.db2.gz MGCCOTJFYKVTRW-RBUKOAKNSA-N 2 2 345.462 2.098 10 30 EEEELP CC[C@H](C(=O)N[C@H]1CCC[N@@H+](CC#Cc2ccc(F)cc2)C1)[NH+](C)C ZINC001265230805 1322998457 /nfs/dbraw/zinc/99/84/57/1322998457.db2.gz MGCCOTJFYKVTRW-RBUKOAKNSA-N 2 2 345.462 2.098 10 30 EEEELP C#CC[N@H+]1CCC[C@H](NC(=O)[C@H]2CCCC[NH+]2Cc2ccccc2)C1 ZINC001303559220 1331359653 /nfs/dbraw/zinc/35/96/53/1331359653.db2.gz WZKPVPNNUMGGPP-VQTJNVASSA-N 2 2 339.483 2.255 10 30 EEEELP C#CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCCC[NH+]2Cc2ccccc2)C1 ZINC001303559220 1331359661 /nfs/dbraw/zinc/35/96/61/1331359661.db2.gz WZKPVPNNUMGGPP-VQTJNVASSA-N 2 2 339.483 2.255 10 30 EEEELP C#CC[NH+]1CCC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2Cc2ccccc2)C1 ZINC001303559220 1331359664 /nfs/dbraw/zinc/35/96/64/1331359664.db2.gz WZKPVPNNUMGGPP-VQTJNVASSA-N 2 2 339.483 2.255 10 30 EEEELP C#CC[NH+]1CCC[C@H](NC(=O)[C@H]2CCCC[N@H+]2Cc2ccccc2)C1 ZINC001303559220 1331359668 /nfs/dbraw/zinc/35/96/68/1331359668.db2.gz WZKPVPNNUMGGPP-VQTJNVASSA-N 2 2 339.483 2.255 10 30 EEEELP C[NH+](C)[C@H](C(=O)NCC[N@@H+](C)CC#Cc1ccccc1)c1ccccc1 ZINC001317471547 1332257895 /nfs/dbraw/zinc/25/78/95/1332257895.db2.gz LBYUOUOZSGCTGF-NRFANRHFSA-N 2 2 349.478 2.389 10 30 EEEELP C[NH+](C)[C@H](C(=O)NCC[N@H+](C)CC#Cc1ccccc1)c1ccccc1 ZINC001317471547 1332257897 /nfs/dbraw/zinc/25/78/97/1332257897.db2.gz LBYUOUOZSGCTGF-NRFANRHFSA-N 2 2 349.478 2.389 10 30 EEEELP C=CCC[NH2+]C[C@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@@H]1C(F)(F)F ZINC001332459575 1335828277 /nfs/dbraw/zinc/82/82/77/1335828277.db2.gz MRLFENKOYUGUHY-KBPBESRZSA-N 2 2 344.381 2.076 10 30 EEEELP CC(C)N(CC[N@H+](C)CC#Cc1ccccc1)C(=O)[C@@H]1CCC[NH+]1C ZINC001332693577 1335884363 /nfs/dbraw/zinc/88/43/63/1335884363.db2.gz RXHISJKTJJBQPZ-FQEVSTJZSA-N 2 2 341.499 2.301 10 30 EEEELP CC(C)N(CC[N@@H+](C)CC#Cc1ccccc1)C(=O)[C@@H]1CCC[NH+]1C ZINC001332693577 1335884367 /nfs/dbraw/zinc/88/43/67/1335884367.db2.gz RXHISJKTJJBQPZ-FQEVSTJZSA-N 2 2 341.499 2.301 10 30 EEEELP CC(C)N(CC[NH+](C)CC#Cc1ccccc1)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001332693577 1335884372 /nfs/dbraw/zinc/88/43/72/1335884372.db2.gz RXHISJKTJJBQPZ-FQEVSTJZSA-N 2 2 341.499 2.301 10 30 EEEELP CC(C)N(CC[NH+](C)CC#Cc1ccccc1)C(=O)[C@@H]1CCC[N@H+]1C ZINC001332693577 1335884376 /nfs/dbraw/zinc/88/43/76/1335884376.db2.gz RXHISJKTJJBQPZ-FQEVSTJZSA-N 2 2 341.499 2.301 10 30 EEEELP C=C(C)CC[N@@H+]1CC[C@]2(NC(=O)CCc3c[nH+]cn3C)CCC[C@@H]12 ZINC001676819939 1357212254 /nfs/dbraw/zinc/21/22/54/1357212254.db2.gz DYVIXCZFJSORNQ-IEBWSBKVSA-N 2 2 330.476 2.432 10 30 EEEELP C=C(C)CC[N@H+]1CC[C@]2(NC(=O)CCc3c[nH+]cn3C)CCC[C@@H]12 ZINC001676819939 1357212259 /nfs/dbraw/zinc/21/22/59/1357212259.db2.gz DYVIXCZFJSORNQ-IEBWSBKVSA-N 2 2 330.476 2.432 10 30 EEEELP C=CCCCCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001661001083 1354571967 /nfs/dbraw/zinc/57/19/67/1354571967.db2.gz PYKSZDIEQNRZHM-DLBZAZTESA-N 2 2 330.476 2.382 10 30 EEEELP C=CCCCCC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001661001083 1354571968 /nfs/dbraw/zinc/57/19/68/1354571968.db2.gz PYKSZDIEQNRZHM-DLBZAZTESA-N 2 2 330.476 2.382 10 30 EEEELP C=C(C)CC[NH2+][C@H](CC)CNC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC001665835097 1355397625 /nfs/dbraw/zinc/39/76/25/1355397625.db2.gz VANYUFJKEHCIGL-SJLPKXTDSA-N 2 2 337.508 2.080 10 30 EEEELP C=C(C)CC[NH2+][C@H](CC)CNC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC001665835097 1355397628 /nfs/dbraw/zinc/39/76/28/1355397628.db2.gz VANYUFJKEHCIGL-SJLPKXTDSA-N 2 2 337.508 2.080 10 30 EEEELP C=CCC[N@H+]1CCC[C@@](C)(CNC(=O)Cc2c[nH+]ccc2OC)C1 ZINC001699869900 1405535137 /nfs/dbraw/zinc/53/51/37/1405535137.db2.gz VJBAUFBOHVNABE-IBGZPJMESA-N 2 2 331.460 2.427 10 30 EEEELP C=CCC[N@@H+]1CCC[C@@](C)(CNC(=O)Cc2c[nH+]ccc2OC)C1 ZINC001699869900 1405535139 /nfs/dbraw/zinc/53/51/39/1405535139.db2.gz VJBAUFBOHVNABE-IBGZPJMESA-N 2 2 331.460 2.427 10 30 EEEELP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](C/C=C\Cl)CC1(C)C ZINC000940811186 779355352 /nfs/dbraw/zinc/35/53/52/779355352.db2.gz BSTILCZKORATKA-HPRJGHKQSA-N 2 2 337.895 2.053 10 30 EEEELP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](C/C=C\Cl)CC1(C)C ZINC000940811186 779355361 /nfs/dbraw/zinc/35/53/61/779355361.db2.gz BSTILCZKORATKA-HPRJGHKQSA-N 2 2 337.895 2.053 10 30 EEEELP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](C/C=C\Cl)CC1(C)C ZINC000940811186 779355369 /nfs/dbraw/zinc/35/53/69/779355369.db2.gz BSTILCZKORATKA-HPRJGHKQSA-N 2 2 337.895 2.053 10 30 EEEELP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](C/C=C\Cl)CC1(C)C ZINC000940811186 779355375 /nfs/dbraw/zinc/35/53/75/779355375.db2.gz BSTILCZKORATKA-HPRJGHKQSA-N 2 2 337.895 2.053 10 30 EEEELP C=C(C)C[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001566121641 1125568501 /nfs/dbraw/zinc/56/85/01/1125568501.db2.gz PUOXXCMDNYDFRZ-IRXDYDNUSA-N 2 2 330.476 2.335 10 30 EEEELP C=C(C)C[N@@H+](C)C[C@@H]1CCCCN1C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001566121641 1125568508 /nfs/dbraw/zinc/56/85/08/1125568508.db2.gz PUOXXCMDNYDFRZ-IRXDYDNUSA-N 2 2 330.476 2.335 10 30 EEEELP C#CCC[NH2+]CC[C@H]1CCCCN1C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001496396805 1100989580 /nfs/dbraw/zinc/98/95/80/1100989580.db2.gz SYODXCAVXGRWEW-GOSISDBHSA-N 2 2 342.487 2.146 10 30 EEEELP C=C(C)C[NH+]1CCC(CCNC(=O)Cc2c[nH+]ccc2OC)CC1 ZINC001495519830 1101232539 /nfs/dbraw/zinc/23/25/39/1101232539.db2.gz JFWCEZNEALKRHQ-UHFFFAOYSA-N 2 2 331.460 2.427 10 30 EEEELP C[C@@H](CN(C)C(=O)Cc1[nH]cc[nH+]1)[NH2+]CC#Cc1ccccc1Cl ZINC001507137802 1115128272 /nfs/dbraw/zinc/12/82/72/1115128272.db2.gz YATNZVHGXCHIDY-AWEZNQCLSA-N 2 2 344.846 2.094 10 30 EEEELP C=CCC[NH2+][C@H]1CCN(C(=O)Cc2cn3c([nH+]2)CCCC3)C[C@@H]1C ZINC001568358079 1124435464 /nfs/dbraw/zinc/43/54/64/1124435464.db2.gz OBEXBVGPGQVGSO-RDJZCZTQSA-N 2 2 330.476 2.165 10 30 EEEELP Cc1cn2c([nH+]1)[C@H](CNC(=O)N1CC[C@@H](C[NH+]3CCCC3)C1)CCC2 ZINC000328642345 465086285 /nfs/dbraw/zinc/08/62/85/465086285.db2.gz DSJCJLVXMIEXJG-IRXDYDNUSA-N 2 2 345.491 2.401 10 30 EEEELP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](Cc2cnc3ccc(C#N)cn23)C1 ZINC000182089777 464569393 /nfs/dbraw/zinc/56/93/93/464569393.db2.gz RBZNDNSUVDWZGQ-OAHLLOKOSA-N 2 2 334.427 2.394 10 30 EEEELP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](Cc2cnc3ccc(C#N)cn23)C1 ZINC000182089777 464569401 /nfs/dbraw/zinc/56/94/01/464569401.db2.gz RBZNDNSUVDWZGQ-OAHLLOKOSA-N 2 2 334.427 2.394 10 30 EEEELP C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CCN(c2c[nH+]ccc2C)CC1 ZINC000342770567 465348804 /nfs/dbraw/zinc/34/88/04/465348804.db2.gz VLMOFFQPFCPKNQ-KRWDZBQOSA-N 2 2 328.460 2.101 10 30 EEEELP C[C@@H]1C[C@H]([NH+]=C([O-])N[C@@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)CC[N@@H+]1C ZINC000329682910 465405052 /nfs/dbraw/zinc/40/50/52/465405052.db2.gz XNTWRJXSZPSKTO-RBSFLKMASA-N 2 2 347.507 2.482 10 30 EEEELP C[C@@H]1C[C@H]([NH+]=C([O-])N[C@@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)CC[N@H+]1C ZINC000329682910 465405056 /nfs/dbraw/zinc/40/50/56/465405056.db2.gz XNTWRJXSZPSKTO-RBSFLKMASA-N 2 2 347.507 2.482 10 30 EEEELP C[C@@H]1C[C@H](NC([O-])=[NH+][C@@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)CC[N@@H+]1C ZINC000329682910 465405059 /nfs/dbraw/zinc/40/50/59/465405059.db2.gz XNTWRJXSZPSKTO-RBSFLKMASA-N 2 2 347.507 2.482 10 30 EEEELP C[C@@H]1C[C@H](NC([O-])=[NH+][C@@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)CC[N@H+]1C ZINC000329682910 465405064 /nfs/dbraw/zinc/40/50/64/465405064.db2.gz XNTWRJXSZPSKTO-RBSFLKMASA-N 2 2 347.507 2.482 10 30 EEEELP C=CCCC[N@H+]1C[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)C(C)(C)C1 ZINC001485570020 1191839486 /nfs/dbraw/zinc/83/94/86/1191839486.db2.gz QURQJAMTWQKUEE-MRXNPFEDSA-N 2 2 334.464 2.143 10 30 EEEELP C=CCCC[N@@H+]1C[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)C(C)(C)C1 ZINC001485570020 1191839487 /nfs/dbraw/zinc/83/94/87/1191839487.db2.gz QURQJAMTWQKUEE-MRXNPFEDSA-N 2 2 334.464 2.143 10 30 EEEELP C=C(Cl)C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)CCn3cc[nH+]c3)C[C@H]2C1 ZINC001485657070 1191891593 /nfs/dbraw/zinc/89/15/93/1191891593.db2.gz LPHFPBMBUOEUNU-HRCADAONSA-N 2 2 336.867 2.242 10 30 EEEELP C=C(Cl)C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)CCn3cc[nH+]c3)C[C@H]2C1 ZINC001485657070 1191891597 /nfs/dbraw/zinc/89/15/97/1191891597.db2.gz LPHFPBMBUOEUNU-HRCADAONSA-N 2 2 336.867 2.242 10 30 EEEELP C=C(C)C[N@H+](C)C[C@@H]1CCCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001266460203 1176575711 /nfs/dbraw/zinc/57/57/11/1176575711.db2.gz XNGCAELDBNEODP-DLBZAZTESA-N 2 2 330.476 2.192 10 30 EEEELP C=C(C)C[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001266460203 1176575716 /nfs/dbraw/zinc/57/57/16/1176575716.db2.gz XNGCAELDBNEODP-DLBZAZTESA-N 2 2 330.476 2.192 10 30 EEEELP CC(C)[N@@H+](CC#Cc1ccccc1)CCCNC(=O)Cn1cc[nH+]c1 ZINC001691768765 1176890827 /nfs/dbraw/zinc/89/08/27/1176890827.db2.gz ZTSHATCCTMJKQF-UHFFFAOYSA-N 2 2 338.455 2.152 10 30 EEEELP CC(C)[N@H+](CC#Cc1ccccc1)CCCNC(=O)Cn1cc[nH+]c1 ZINC001691768765 1176890836 /nfs/dbraw/zinc/89/08/36/1176890836.db2.gz ZTSHATCCTMJKQF-UHFFFAOYSA-N 2 2 338.455 2.152 10 30 EEEELP C=CCC[C@H](C)[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001691449875 1178843240 /nfs/dbraw/zinc/84/32/40/1178843240.db2.gz AFFHTCNULRFYME-LUKYLMHMSA-N 2 2 330.476 2.285 10 30 EEEELP C=CCOCC[N@@H+](C)C[C@@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001267658840 1180118914 /nfs/dbraw/zinc/11/89/14/1180118914.db2.gz SMMMXGRRPPLJGQ-HNNXBMFYSA-N 2 2 342.443 2.159 10 30 EEEELP C=CCOCC[N@H+](C)C[C@@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001267658840 1180118916 /nfs/dbraw/zinc/11/89/16/1180118916.db2.gz SMMMXGRRPPLJGQ-HNNXBMFYSA-N 2 2 342.443 2.159 10 30 EEEELP C#CCN(C(=O)CCc1c[nH+]cn1C)C1CC[NH+](CC[C@H](C)F)CC1 ZINC001483989680 1191144674 /nfs/dbraw/zinc/14/46/74/1191144674.db2.gz RZCBUNRTAVTWNG-INIZCTEOSA-N 2 2 348.466 2.027 10 30 EEEELP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000876891868 1199807447 /nfs/dbraw/zinc/80/74/47/1199807447.db2.gz DYWBESOBTONQJW-ZNMIVQPWSA-N 2 2 343.805 2.296 10 30 EEEELP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000876891868 1199807451 /nfs/dbraw/zinc/80/74/51/1199807451.db2.gz DYWBESOBTONQJW-ZNMIVQPWSA-N 2 2 343.805 2.296 10 30 EEEELP C=CC[C@H](C(=O)OC)[NH+]1CC[C@H](Oc2ccnc(C[N@@H+](C)CC)c2)C1 ZINC000879019066 1200809025 /nfs/dbraw/zinc/80/90/25/1200809025.db2.gz NJLRIKBVZANKQO-ZWKOTPCHSA-N 2 2 347.459 2.104 10 30 EEEELP C=CC[C@H](C(=O)OC)[NH+]1CC[C@H](Oc2ccnc(C[N@H+](C)CC)c2)C1 ZINC000879019066 1200809037 /nfs/dbraw/zinc/80/90/37/1200809037.db2.gz NJLRIKBVZANKQO-ZWKOTPCHSA-N 2 2 347.459 2.104 10 30 EEEELP C=CC[C@H](C(=O)OC)[N@@H+]1CC[C@H](Oc2ccnc(C[NH+](C)CC)c2)C1 ZINC000879019066 1200809047 /nfs/dbraw/zinc/80/90/47/1200809047.db2.gz NJLRIKBVZANKQO-ZWKOTPCHSA-N 2 2 347.459 2.104 10 30 EEEELP C=CC[C@H](C(=O)OC)[N@H+]1CC[C@H](Oc2ccnc(C[NH+](C)CC)c2)C1 ZINC000879019066 1200809055 /nfs/dbraw/zinc/80/90/55/1200809055.db2.gz NJLRIKBVZANKQO-ZWKOTPCHSA-N 2 2 347.459 2.104 10 30 EEEELP C=CCCCCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001490829973 1205915984 /nfs/dbraw/zinc/91/59/84/1205915984.db2.gz BFWMXTQMTOJMHA-SJORKVTESA-N 2 2 330.476 2.382 10 30 EEEELP C#CCN(C(=O)Cc1c[nH+]c[nH]1)C1CC[NH+](CC/C=C\CC)CC1 ZINC001278183973 1306208942 /nfs/dbraw/zinc/20/89/42/1306208942.db2.gz FQLOEKTXJUAXQB-WAYWQWQTSA-N 2 2 328.460 2.235 10 30 EEEELP C#CC[NH+]1CCC([NH2+]C[C@@H](O)COc2c(C)ccc(C)c2C)CC1 ZINC001120500826 1309578075 /nfs/dbraw/zinc/57/80/75/1309578075.db2.gz RFJLIEKINUIPFP-LJQANCHMSA-N 2 2 330.472 2.039 10 30 EEEELP C=C(C)C[N@@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)CCn1cc[nH+]c1 ZINC001264029836 1322589965 /nfs/dbraw/zinc/58/99/65/1322589965.db2.gz JXVLTQPJBSOBID-BPQIPLTHSA-N 2 2 330.476 2.455 10 30 EEEELP C=C(C)C[N@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)CCn1cc[nH+]c1 ZINC001264029836 1322589969 /nfs/dbraw/zinc/58/99/69/1322589969.db2.gz JXVLTQPJBSOBID-BPQIPLTHSA-N 2 2 330.476 2.455 10 30 EEEELP C=CC[N@H+]1CCC[C@@H]2[C@@H](NC(=O)CCc3c[nH+]cn3C)C(C)(C)[C@@H]21 ZINC001264033640 1322593527 /nfs/dbraw/zinc/59/35/27/1322593527.db2.gz UTBKERGSVGJJOE-KBAYOESNSA-N 2 2 330.476 2.144 10 30 EEEELP C=CC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)CCc3c[nH+]cn3C)C(C)(C)[C@@H]21 ZINC001264033640 1322593535 /nfs/dbraw/zinc/59/35/35/1322593535.db2.gz UTBKERGSVGJJOE-KBAYOESNSA-N 2 2 330.476 2.144 10 30 EEEELP C=CCCC[NH2+]CC1(NC(=O)c2cc3c[nH+]ccc3[nH]2)CCOCC1 ZINC001281252784 1324918733 /nfs/dbraw/zinc/91/87/33/1324918733.db2.gz FFIJPIBWZMKNET-UHFFFAOYSA-N 2 2 342.443 2.398 10 30 EEEELP C=C(C)C[N@@H+]1CCC[C@@H]1CCCNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001492159872 1331023797 /nfs/dbraw/zinc/02/37/97/1331023797.db2.gz KUCFPMIVBNXQAE-SJORKVTESA-N 2 2 330.476 2.382 10 30 EEEELP C=C(C)C[N@H+]1CCC[C@@H]1CCCNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001492159872 1331023799 /nfs/dbraw/zinc/02/37/99/1331023799.db2.gz KUCFPMIVBNXQAE-SJORKVTESA-N 2 2 330.476 2.382 10 30 EEEELP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)CCCn3cc[nH+]c3)C[C@@H]2C1 ZINC001316759397 1331876462 /nfs/dbraw/zinc/87/64/62/1331876462.db2.gz GZFGZMGNFGFUHM-MSOLQXFVSA-N 2 2 330.476 2.410 10 30 EEEELP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)CCCn3cc[nH+]c3)C[C@@H]2C1 ZINC001316759397 1331876469 /nfs/dbraw/zinc/87/64/69/1331876469.db2.gz GZFGZMGNFGFUHM-MSOLQXFVSA-N 2 2 330.476 2.410 10 30 EEEELP C=CC[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001316873106 1331943121 /nfs/dbraw/zinc/94/31/21/1331943121.db2.gz DVZXPSNLPXJSFA-RDJZCZTQSA-N 2 2 330.476 2.307 10 30 EEEELP C=C(C)CC[N@H+](CC)CCNC(=O)[C@H]1COCC[NH+]1C1CCCC1 ZINC001317485314 1332261683 /nfs/dbraw/zinc/26/16/83/1332261683.db2.gz YDRFFBZPUQUYDV-GOSISDBHSA-N 2 2 337.508 2.034 10 30 EEEELP C=C(C)CC[N@@H+](CC)CCNC(=O)[C@H]1COCC[NH+]1C1CCCC1 ZINC001317485314 1332261687 /nfs/dbraw/zinc/26/16/87/1332261687.db2.gz YDRFFBZPUQUYDV-GOSISDBHSA-N 2 2 337.508 2.034 10 30 EEEELP C=C(C)CC[NH+](CC)CCNC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC001317485314 1332261690 /nfs/dbraw/zinc/26/16/90/1332261690.db2.gz YDRFFBZPUQUYDV-GOSISDBHSA-N 2 2 337.508 2.034 10 30 EEEELP C=C(C)CC[NH+](CC)CCNC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC001317485314 1332261691 /nfs/dbraw/zinc/26/16/91/1332261691.db2.gz YDRFFBZPUQUYDV-GOSISDBHSA-N 2 2 337.508 2.034 10 30 EEEELP C=C(C)CC[NH2+]C[C@@](C)(NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C1CC1 ZINC001318715320 1332582752 /nfs/dbraw/zinc/58/27/52/1332582752.db2.gz UKFXOTSKBFIYFH-GPMSIDNRSA-N 2 2 330.476 2.364 10 30 EEEELP C=CCOCC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001320149769 1332838604 /nfs/dbraw/zinc/83/86/04/1332838604.db2.gz YLIAXHONGDZFRV-GOEBONIOSA-N 2 2 342.443 2.254 10 30 EEEELP C[C@@H](CC[NH2+]CC#Cc1ccccc1Cl)NC(=O)Cn1cc[nH+]c1 ZINC001320652223 1332929786 /nfs/dbraw/zinc/92/97/86/1332929786.db2.gz JPUPXCTZSUKUNX-HNNXBMFYSA-N 2 2 344.846 2.073 10 30 EEEELP C=CCCC[NH+]1CCC(C)(NC(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC001324323065 1333658038 /nfs/dbraw/zinc/65/80/38/1333658038.db2.gz PMAOCMSONSGIBN-MRXNPFEDSA-N 2 2 330.476 2.382 10 30 EEEELP CCCCCCC[NH+]1CC2(C1)CN(C(=O)Cn1c[nH+]cc1C)CCO2 ZINC001327325557 1334267635 /nfs/dbraw/zinc/26/76/35/1334267635.db2.gz BTJMTLIAHTZOPR-UHFFFAOYSA-N 2 2 348.491 2.075 10 30 EEEELP CC#CC[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001660439549 1354465695 /nfs/dbraw/zinc/46/56/95/1354465695.db2.gz IWSRHBKNORHAAI-WMZOPIPTSA-N 2 2 342.487 2.144 10 30 EEEELP C=CCCC[NH+]1CC[C@H](CNC(=O)c2cc([C@H]3CCC[N@H+]3C)n[nH]2)C1 ZINC001663587329 1354994164 /nfs/dbraw/zinc/99/41/64/1354994164.db2.gz IZYLKBFFQBGXSF-CRAIPNDOSA-N 2 2 345.491 2.194 10 30 EEEELP C=CCCC[NH+]1CC[C@H](CNC(=O)c2cc([C@H]3CCC[N@@H+]3C)n[nH]2)C1 ZINC001663587329 1354994166 /nfs/dbraw/zinc/99/41/66/1354994166.db2.gz IZYLKBFFQBGXSF-CRAIPNDOSA-N 2 2 345.491 2.194 10 30 EEEELP C=CCCC[N@H+]1CC[C@H](CNC(=O)c2cc([C@H]3CCC[NH+]3C)n[nH]2)C1 ZINC001663587329 1354994169 /nfs/dbraw/zinc/99/41/69/1354994169.db2.gz IZYLKBFFQBGXSF-CRAIPNDOSA-N 2 2 345.491 2.194 10 30 EEEELP C=CCCC[N@@H+]1CC[C@H](CNC(=O)c2cc([C@H]3CCC[NH+]3C)n[nH]2)C1 ZINC001663587329 1354994172 /nfs/dbraw/zinc/99/41/72/1354994172.db2.gz IZYLKBFFQBGXSF-CRAIPNDOSA-N 2 2 345.491 2.194 10 30 EEEELP C=C(C)C[NH2+][C@@H](CNC(=O)[C@@H]1CCc2c[nH+]cn2C1)c1ccccc1 ZINC001664583800 1355197200 /nfs/dbraw/zinc/19/72/00/1355197200.db2.gz VUDBHQUUWWKEJL-MJGOQNOKSA-N 2 2 338.455 2.469 10 30 EEEELP C=CCCC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001664817318 1355234090 /nfs/dbraw/zinc/23/40/90/1355234090.db2.gz FQHHGOMRPFVZFC-IRXDYDNUSA-N 2 2 330.476 2.192 10 30 EEEELP C=CCCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001664817318 1355234093 /nfs/dbraw/zinc/23/40/93/1355234093.db2.gz FQHHGOMRPFVZFC-IRXDYDNUSA-N 2 2 330.476 2.192 10 30 EEEELP C=CCCC[N@@H+]1CCO[C@@H](CNC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001698788911 1405062925 /nfs/dbraw/zinc/06/29/25/1405062925.db2.gz SHIRYUUZJRXVCE-KRWDZBQOSA-N 2 2 342.443 2.040 10 30 EEEELP C=CCCC[N@H+]1CCO[C@@H](CNC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001698788911 1405062929 /nfs/dbraw/zinc/06/29/29/1405062929.db2.gz SHIRYUUZJRXVCE-KRWDZBQOSA-N 2 2 342.443 2.040 10 30 EEEELP C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)C(C)(C)C1 ZINC000940850958 779433367 /nfs/dbraw/zinc/43/33/67/779433367.db2.gz QYAMWSSKHBLSPQ-HOTGVXAUSA-N 2 2 330.476 2.238 10 30 EEEELP C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)C(C)(C)C1 ZINC000940850958 779433374 /nfs/dbraw/zinc/43/33/74/779433374.db2.gz QYAMWSSKHBLSPQ-HOTGVXAUSA-N 2 2 330.476 2.238 10 30 EEEELP C#CC[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001565984825 1125483004 /nfs/dbraw/zinc/48/30/04/1125483004.db2.gz JQYLQXFXMYVGGI-FGTMMUONSA-N 2 2 342.487 2.076 10 30 EEEELP C=C(Cl)C[NH2+][C@@H](CC)CNC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1 ZINC001438302336 1090781771 /nfs/dbraw/zinc/78/17/71/1090781771.db2.gz UAMRKNKTAXOPNK-SWLSCSKDSA-N 2 2 339.871 2.027 10 30 EEEELP C=C(Cl)C[NH2+][C@@H](CC)CNC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1 ZINC001438302336 1090781775 /nfs/dbraw/zinc/78/17/75/1090781775.db2.gz UAMRKNKTAXOPNK-SWLSCSKDSA-N 2 2 339.871 2.027 10 30 EEEELP C=C(Br)C[NH2+]C[C@@H](C)N(C)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001438710951 1091227989 /nfs/dbraw/zinc/22/79/89/1091227989.db2.gz SJPZDXZJQQUAFX-LLVKDONJSA-N 2 2 343.269 2.032 10 30 EEEELP C[C@H](CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)[NH2+]Cc1cccc(C#N)c1 ZINC001441534652 1095246280 /nfs/dbraw/zinc/24/62/80/1095246280.db2.gz HIAHSBRNPWFRMZ-KBRIMQKVSA-N 2 2 337.427 2.022 10 30 EEEELP C[C@H](CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)[NH2+]Cc1cccc(C#N)c1 ZINC001441534652 1095246289 /nfs/dbraw/zinc/24/62/89/1095246289.db2.gz HIAHSBRNPWFRMZ-KBRIMQKVSA-N 2 2 337.427 2.022 10 30 EEEELP C=C(Cl)C[N@@H+](C)CCN(C(=O)COC1CC[NH+](C)CC1)C(C)C ZINC001442115029 1096346627 /nfs/dbraw/zinc/34/66/27/1096346627.db2.gz HXESNKYAOBSHSU-UHFFFAOYSA-N 2 2 345.915 2.019 10 30 EEEELP C=C(Cl)C[N@H+](C)CCN(C(=O)COC1CC[NH+](C)CC1)C(C)C ZINC001442115029 1096346632 /nfs/dbraw/zinc/34/66/32/1096346632.db2.gz HXESNKYAOBSHSU-UHFFFAOYSA-N 2 2 345.915 2.019 10 30 EEEELP C[C@H](C[NH2+]Cc1ccc(C#N)s1)N(C)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001444685089 1099532853 /nfs/dbraw/zinc/53/28/53/1099532853.db2.gz MMVUKHBFEZJBDO-UONOGXRCSA-N 2 2 345.472 2.404 10 30 EEEELP C=CCCC[N@@H+]1CCO[C@H](CNC(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001495885476 1101716745 /nfs/dbraw/zinc/71/67/45/1101716745.db2.gz RJEWNYAJEPPUTB-MOPGFXCFSA-N 2 2 345.487 2.073 10 30 EEEELP C=CCCC[N@H+]1CCO[C@H](CNC(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001495885476 1101716754 /nfs/dbraw/zinc/71/67/54/1101716754.db2.gz RJEWNYAJEPPUTB-MOPGFXCFSA-N 2 2 345.487 2.073 10 30 EEEELP CC#CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001499491924 1112320046 /nfs/dbraw/zinc/32/00/46/1112320046.db2.gz HKAOQIHEIILFHN-SLUKUZTOSA-N 2 2 326.444 2.038 10 30 EEEELP CC#CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001499491924 1112320052 /nfs/dbraw/zinc/32/00/52/1112320052.db2.gz HKAOQIHEIILFHN-SLUKUZTOSA-N 2 2 326.444 2.038 10 30 EEEELP C#CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)C[NH+]1CCC(C)CC1 ZINC001503692678 1113900382 /nfs/dbraw/zinc/90/03/82/1113900382.db2.gz WHTICOXAERDXFU-HXUWFJFHSA-N 2 2 339.483 2.067 10 30 EEEELP C#CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)C[NH+]1CCC(C)CC1 ZINC001503692678 1113900384 /nfs/dbraw/zinc/90/03/84/1113900384.db2.gz WHTICOXAERDXFU-HXUWFJFHSA-N 2 2 339.483 2.067 10 30 EEEELP C=CCC[NH2+]C1CCC(N(C)C(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC001505782667 1114189326 /nfs/dbraw/zinc/18/93/26/1114189326.db2.gz LCKSVAAEYATHPL-GTPINHCMSA-N 2 2 330.476 2.381 10 30 EEEELP C=C(C)Cn1c(C[NH+]2CCCCC2)nnc1N1CC[NH+](C2CC2)CC1 ZINC001524346173 1120069841 /nfs/dbraw/zinc/06/98/41/1120069841.db2.gz CQCSXVXJZIHKQH-UHFFFAOYSA-N 2 2 344.507 2.125 10 30 EEEELP C#CCC[NH2+]C[C@H]1CCC[C@H]1NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001568532369 1124593858 /nfs/dbraw/zinc/59/38/58/1124593858.db2.gz DFVUEBRVFROSQO-IEBWSBKVSA-N 2 2 336.439 2.384 10 30 EEEELP C[C@H]([NH2+]C[C@H]1CCCn2cc[nH+]c21)C(=O)NC1(C#N)CCCCC1 ZINC000089448601 462683223 /nfs/dbraw/zinc/68/32/23/462683223.db2.gz FRFPIHRDEQHXIL-LSDHHAIUSA-N 2 2 329.448 2.081 10 30 EEEELP N#CCCCC[C@H]([NH3+])C(=O)NCc1[nH+]ccn1CCc1ccccc1 ZINC000594437345 468586526 /nfs/dbraw/zinc/58/65/26/468586526.db2.gz BDMLWIJHCVPRKQ-KRWDZBQOSA-N 2 2 339.443 2.153 10 30 EEEELP CC1CCN(c2ccc(CNC(=O)[C@@H]([NH3+])CCCCC#N)c[nH+]2)CC1 ZINC000594440869 468589390 /nfs/dbraw/zinc/58/93/90/468589390.db2.gz IUYIOIFPFBTFHO-KRWDZBQOSA-N 2 2 343.475 2.345 10 30 EEEELP C#CCC[NH+]1CCC(N(CCC)C(=O)CCc2[nH+]ccn2C)CC1 ZINC001266388752 1176462207 /nfs/dbraw/zinc/46/22/07/1176462207.db2.gz POEMZFWEDJLWIZ-UHFFFAOYSA-N 2 2 330.476 2.079 10 30 EEEELP C=CCC[N@H+]1CC[C@H](N(CCC)C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001267545042 1179324449 /nfs/dbraw/zinc/32/44/49/1179324449.db2.gz WGPUYAUFYJIZIK-HNNXBMFYSA-N 2 2 334.464 2.239 10 30 EEEELP C=CCC[N@@H+]1CC[C@H](N(CCC)C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001267545042 1179324459 /nfs/dbraw/zinc/32/44/59/1179324459.db2.gz WGPUYAUFYJIZIK-HNNXBMFYSA-N 2 2 334.464 2.239 10 30 EEEELP C=CC[N@@H+](CCCNC(=O)[C@H]1COCC[NH+]1C1CCCC1)C(C)C ZINC001481353769 1181102419 /nfs/dbraw/zinc/10/24/19/1181102419.db2.gz PEHAHTNLPLBPGB-GOSISDBHSA-N 2 2 337.508 2.033 10 30 EEEELP C=CC[N@H+](CCCNC(=O)[C@H]1COCC[NH+]1C1CCCC1)C(C)C ZINC001481353769 1181102423 /nfs/dbraw/zinc/10/24/23/1181102423.db2.gz PEHAHTNLPLBPGB-GOSISDBHSA-N 2 2 337.508 2.033 10 30 EEEELP C=CC[NH+](CCCNC(=O)[C@H]1COCC[N@@H+]1C1CCCC1)C(C)C ZINC001481353769 1181102431 /nfs/dbraw/zinc/10/24/31/1181102431.db2.gz PEHAHTNLPLBPGB-GOSISDBHSA-N 2 2 337.508 2.033 10 30 EEEELP C=CC[NH+](CCCNC(=O)[C@H]1COCC[N@H+]1C1CCCC1)C(C)C ZINC001481353769 1181102436 /nfs/dbraw/zinc/10/24/36/1181102436.db2.gz PEHAHTNLPLBPGB-GOSISDBHSA-N 2 2 337.508 2.033 10 30 EEEELP C#CCC[NH2+]C[C@@H](NC(=O)CCc1[nH+]ccn1C)C1CCCCC1 ZINC001268118824 1181764710 /nfs/dbraw/zinc/76/47/10/1181764710.db2.gz MSLQLBOHYGASFX-QGZVFWFLSA-N 2 2 330.476 2.031 10 30 EEEELP C#CC[N@H+](CC1CC1)C1CCN(C(=O)c2cccc3[nH+]ccn32)CC1 ZINC001269621505 1184446421 /nfs/dbraw/zinc/44/64/21/1184446421.db2.gz DMWBNPRJESQBQW-UHFFFAOYSA-N 2 2 336.439 2.284 10 30 EEEELP C#CC[N@@H+](CC1CC1)C1CCN(C(=O)c2cccc3[nH+]ccn32)CC1 ZINC001269621505 1184446426 /nfs/dbraw/zinc/44/64/26/1184446426.db2.gz DMWBNPRJESQBQW-UHFFFAOYSA-N 2 2 336.439 2.284 10 30 EEEELP C=CCC[NH2+]CCC1CCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC001269877502 1184688172 /nfs/dbraw/zinc/68/81/72/1184688172.db2.gz NDDDOJDYRRQWMW-KRWDZBQOSA-N 2 2 330.476 2.240 10 30 EEEELP N#CC[NH+](CC1CC1)C1CCN(C(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001670989214 1193539702 /nfs/dbraw/zinc/53/97/02/1193539702.db2.gz MMOIEADKBDXBIQ-RBUKOAKNSA-N 2 2 344.503 2.230 10 30 EEEELP N#CC[NH+](CC1CC1)C1CCN(C(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001670989214 1193539704 /nfs/dbraw/zinc/53/97/04/1193539704.db2.gz MMOIEADKBDXBIQ-RBUKOAKNSA-N 2 2 344.503 2.230 10 30 EEEELP N#CC[N@H+](CC1CC1)C1CCN(C(=O)[C@H]2CCC[C@H]3CCC[NH+]32)CC1 ZINC001670989214 1193539707 /nfs/dbraw/zinc/53/97/07/1193539707.db2.gz MMOIEADKBDXBIQ-RBUKOAKNSA-N 2 2 344.503 2.230 10 30 EEEELP N#CC[N@@H+](CC1CC1)C1CCN(C(=O)[C@H]2CCC[C@H]3CCC[NH+]32)CC1 ZINC001670989214 1193539709 /nfs/dbraw/zinc/53/97/09/1193539709.db2.gz MMOIEADKBDXBIQ-RBUKOAKNSA-N 2 2 344.503 2.230 10 30 EEEELP CC#CC[N@H+](CCNC(=O)Cc1[nH]c[nH+]c1C)C1CCCCCC1 ZINC001483813632 1191058374 /nfs/dbraw/zinc/05/83/74/1191058374.db2.gz XLWHCBPJKJMHLT-UHFFFAOYSA-N 2 2 330.476 2.425 10 30 EEEELP CC#CC[N@@H+](CCNC(=O)Cc1[nH]c[nH+]c1C)C1CCCCCC1 ZINC001483813632 1191058377 /nfs/dbraw/zinc/05/83/77/1191058377.db2.gz XLWHCBPJKJMHLT-UHFFFAOYSA-N 2 2 330.476 2.425 10 30 EEEELP C[C@@H](CC[NH2+]CC#Cc1cccc(Cl)c1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001273091965 1194378536 /nfs/dbraw/zinc/37/85/36/1194378536.db2.gz YOZMQFWMDHWJHV-AWEZNQCLSA-N 2 2 344.846 2.142 10 30 EEEELP C=CCCC[N@H+]1CC[C@@H]([C@H]2CCCN(C(=O)Cc3c[nH+]cn3C)C2)C1 ZINC001275183184 1205276425 /nfs/dbraw/zinc/27/64/25/1205276425.db2.gz CPPCTJXZDAIGKU-ZWKOTPCHSA-N 2 2 344.503 2.489 10 30 EEEELP C=CCCC[N@@H+]1CC[C@@H]([C@H]2CCCN(C(=O)Cc3c[nH+]cn3C)C2)C1 ZINC001275183184 1205276427 /nfs/dbraw/zinc/27/64/27/1205276427.db2.gz CPPCTJXZDAIGKU-ZWKOTPCHSA-N 2 2 344.503 2.489 10 30 EEEELP CC[C@@H]([NH2+]CCN1CCC([NH+](C)C)CC1)c1cccc(C#N)c1O ZINC000925216276 1206084094 /nfs/dbraw/zinc/08/40/94/1206084094.db2.gz RVOKQYNHKSCXOS-GOSISDBHSA-N 2 2 330.476 2.331 10 30 EEEELP C#CCN(C(=O)C[N@H+]1CC[C@@H](C)C1)C1CC[NH+](CC(=C)Cl)CC1 ZINC001278184545 1306210399 /nfs/dbraw/zinc/21/03/99/1306210399.db2.gz OCHBIJDXNRMIAT-OAHLLOKOSA-N 2 2 337.895 2.007 10 30 EEEELP C#CCN(C(=O)C[N@@H+]1CC[C@@H](C)C1)C1CC[NH+](CC(=C)Cl)CC1 ZINC001278184545 1306210407 /nfs/dbraw/zinc/21/04/07/1306210407.db2.gz OCHBIJDXNRMIAT-OAHLLOKOSA-N 2 2 337.895 2.007 10 30 EEEELP C=CCC[NH2+]C[C@H]1CN(C(=O)Cn2cc[nH+]c2)CC[C@H]1C(F)(F)F ZINC001264038093 1322594810 /nfs/dbraw/zinc/59/48/10/1322594810.db2.gz DJLDGSSFFNABQC-UONOGXRCSA-N 2 2 344.381 2.076 10 30 EEEELP C#CC[NH2+][C@@H](CCN(C)C(=O)Cc1cn2cccc(C)c2[nH+]1)C(C)C ZINC001282570113 1325742624 /nfs/dbraw/zinc/74/26/24/1325742624.db2.gz XSPGYCXVDPFEPL-SFHVURJKSA-N 2 2 340.471 2.281 10 30 EEEELP C#CCC[N@H+]1C[C@@H](NC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C(C)(C)C1 ZINC001282811544 1325794595 /nfs/dbraw/zinc/79/45/95/1325794595.db2.gz PICFGUTUFDOGNE-IAGOWNOFSA-N 2 2 330.476 2.320 10 30 EEEELP C#CCC[N@@H+]1C[C@@H](NC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C(C)(C)C1 ZINC001282811544 1325794598 /nfs/dbraw/zinc/79/45/98/1325794598.db2.gz PICFGUTUFDOGNE-IAGOWNOFSA-N 2 2 330.476 2.320 10 30 EEEELP C=C(Br)C[NH2+]C/C=C/CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001321272130 1333060259 /nfs/dbraw/zinc/06/02/59/1333060259.db2.gz RSWHLORBIMCBFF-ITDFMYJTSA-N 2 2 341.253 2.005 10 30 EEEELP C=CCCC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@H]3CCn4c[nH+]cc4C3)[C@@H]2C1 ZINC001325943496 1334002828 /nfs/dbraw/zinc/00/28/28/1334002828.db2.gz VGPYPMXSFQQFDI-JENIJYKNSA-N 2 2 342.487 2.335 10 30 EEEELP C=CCCC[N@H+]1C[C@@H]2CCCN(C(=O)[C@H]3CCn4c[nH+]cc4C3)[C@@H]2C1 ZINC001325943496 1334002830 /nfs/dbraw/zinc/00/28/30/1334002830.db2.gz VGPYPMXSFQQFDI-JENIJYKNSA-N 2 2 342.487 2.335 10 30 EEEELP C=CCC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)Cc1[nH]c[nH+]c1C ZINC001327512918 1334306308 /nfs/dbraw/zinc/30/63/08/1334306308.db2.gz NOLTVCZQDFCZQS-SFHVURJKSA-N 2 2 338.455 2.380 10 30 EEEELP C=CCC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)Cc1[nH]c[nH+]c1C ZINC001327512918 1334306310 /nfs/dbraw/zinc/30/63/10/1334306310.db2.gz NOLTVCZQDFCZQS-SFHVURJKSA-N 2 2 338.455 2.380 10 30 EEEELP C=CCCCCC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001566795644 1342630701 /nfs/dbraw/zinc/63/07/01/1342630701.db2.gz ZLEWTNVFQPERHR-ULQDDVLXSA-N 2 2 330.476 2.429 10 30 EEEELP C=CCCC[N@@H+]1CCOC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001570066603 1343008235 /nfs/dbraw/zinc/00/82/35/1343008235.db2.gz QQMQZLUSPAXDFB-RBUKOAKNSA-N 2 2 349.519 2.177 10 30 EEEELP C=CCCC[N@H+]1CCOC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001570066603 1343008238 /nfs/dbraw/zinc/00/82/38/1343008238.db2.gz QQMQZLUSPAXDFB-RBUKOAKNSA-N 2 2 349.519 2.177 10 30 EEEELP C=CCCC[NH+]1CCOC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001570066603 1343008243 /nfs/dbraw/zinc/00/82/43/1343008243.db2.gz QQMQZLUSPAXDFB-RBUKOAKNSA-N 2 2 349.519 2.177 10 30 EEEELP C=CCCC[NH+]1CCOC[C@@H]1CNC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001570066603 1343008248 /nfs/dbraw/zinc/00/82/48/1343008248.db2.gz QQMQZLUSPAXDFB-RBUKOAKNSA-N 2 2 349.519 2.177 10 30 EEEELP CC#CC[NH2+]CC[C@@H]1[C@@H](C)CCCN1C(=O)CCCn1cc[nH+]c1 ZINC001656454878 1354239925 /nfs/dbraw/zinc/23/99/25/1354239925.db2.gz VRMFRJMJROIVTP-ZWKOTPCHSA-N 2 2 330.476 2.293 10 30 EEEELP CC[N@@H+](CC#Cc1ccccc1)CCNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001663431259 1354962101 /nfs/dbraw/zinc/96/21/01/1354962101.db2.gz VDGPGICHYLNGAP-SFHVURJKSA-N 2 2 338.455 2.324 10 30 EEEELP CC[N@H+](CC#Cc1ccccc1)CCNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001663431259 1354962104 /nfs/dbraw/zinc/96/21/04/1354962104.db2.gz VDGPGICHYLNGAP-SFHVURJKSA-N 2 2 338.455 2.324 10 30 EEEELP C=CCCC[NH2+]C[C@H]1CN(C(=O)Cc2c[nH+]ccc2OC)C[C@@H]1C ZINC001672286523 1356493569 /nfs/dbraw/zinc/49/35/69/1356493569.db2.gz IWGKALGTLJMMEH-RDJZCZTQSA-N 2 2 331.460 2.283 10 30 EEEELP C[C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)[NH+](C)CC#Cc1ccc(F)cc1 ZINC001674949435 1356915560 /nfs/dbraw/zinc/91/55/60/1356915560.db2.gz TYCCMWMWFLLBLE-LPHOPBHVSA-N 2 2 345.462 2.098 10 30 EEEELP C[C@@H](CNC(=O)[C@@H]1CCCC[N@H+]1C)[NH+](C)CC#Cc1ccc(F)cc1 ZINC001674949435 1356915561 /nfs/dbraw/zinc/91/55/61/1356915561.db2.gz TYCCMWMWFLLBLE-LPHOPBHVSA-N 2 2 345.462 2.098 10 30 EEEELP C[C@@H](CNC(=O)[C@@H]1CCCC[NH+]1C)[N@H+](C)CC#Cc1ccc(F)cc1 ZINC001674949435 1356915562 /nfs/dbraw/zinc/91/55/62/1356915562.db2.gz TYCCMWMWFLLBLE-LPHOPBHVSA-N 2 2 345.462 2.098 10 30 EEEELP C[C@@H](CNC(=O)[C@@H]1CCCC[NH+]1C)[N@@H+](C)CC#Cc1ccc(F)cc1 ZINC001674949435 1356915563 /nfs/dbraw/zinc/91/55/63/1356915563.db2.gz TYCCMWMWFLLBLE-LPHOPBHVSA-N 2 2 345.462 2.098 10 30 EEEELP C[C@@H](CNC(=O)C[NH+]1CCC(C)CC1)[N@H+](C)CC#Cc1ccccc1 ZINC001675019439 1356925652 /nfs/dbraw/zinc/92/56/52/1356925652.db2.gz DIWKWYGGPSWQMG-IBGZPJMESA-N 2 2 341.499 2.207 10 30 EEEELP C[C@@H](CNC(=O)C[NH+]1CCC(C)CC1)[N@@H+](C)CC#Cc1ccccc1 ZINC001675019439 1356925654 /nfs/dbraw/zinc/92/56/54/1356925654.db2.gz DIWKWYGGPSWQMG-IBGZPJMESA-N 2 2 341.499 2.207 10 30 EEEELP C=C(C)C[NH2+][C@H](CCN(C)C(=O)C(C)(C)[NH+]1CCOCC1)C(C)C ZINC001675140494 1356937665 /nfs/dbraw/zinc/93/76/65/1356937665.db2.gz PUGSXSDXDCZXQV-QGZVFWFLSA-N 2 2 339.524 2.136 10 30 EEEELP C=CCC[C@@H](C)[N@H+]1C[C@@H]2[C@@H](CNC(=O)CCc3c[nH+]cn3C)[C@@H]2C1 ZINC001675558889 1357005537 /nfs/dbraw/zinc/00/55/37/1357005537.db2.gz LXGUPDONMBQSDV-DDBAPUKQSA-N 2 2 330.476 2.001 10 30 EEEELP C=CCC[C@@H](C)[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CCc3c[nH+]cn3C)[C@@H]2C1 ZINC001675558889 1357005540 /nfs/dbraw/zinc/00/55/40/1357005540.db2.gz LXGUPDONMBQSDV-DDBAPUKQSA-N 2 2 330.476 2.001 10 30 EEEELP C=C(Br)C[NH2+]CC=CCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001699276661 1405310400 /nfs/dbraw/zinc/31/04/00/1405310400.db2.gz STOPHALPCMHVPF-IHWYPQMZSA-N 2 2 349.232 2.347 10 30 EEEELP C[C@@H](CC(=O)NC/C=C\C[NH2+]Cc1cccc(C#N)c1)n1cc[nH+]c1 ZINC001699317631 1405332699 /nfs/dbraw/zinc/33/26/99/1405332699.db2.gz SZGOAAXQGQBQJK-YPQKKHBXSA-N 2 2 337.427 2.168 10 30 EEEELP C[NH+](C)CC#CCNC(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000913520634 788962809 /nfs/dbraw/zinc/96/28/09/788962809.db2.gz VRPRZKMELLITCT-QGZVFWFLSA-N 2 2 342.487 2.174 10 30 EEEELP C=C(Cl)C[NH2+]C[C@H](NC(=O)[C@H]1CCc2[nH+]ccn2C1)C(C)(C)C ZINC001449287109 1094236950 /nfs/dbraw/zinc/23/69/50/1094236950.db2.gz DGSMAQFHSWVZMT-KBPBESRZSA-N 2 2 338.883 2.319 10 30 EEEELP C=C(C)C[NH+]1CC2(C1)CC[C@H](CNC(=O)C(C)(C)[NH+]1CCCCC1)O2 ZINC001502433729 1113680816 /nfs/dbraw/zinc/68/08/16/1113680816.db2.gz LUTQZBFQKILFIB-QGZVFWFLSA-N 2 2 349.519 2.177 10 30 EEEELP Cc1[nH+]c(N2CCOCC2)ccc1NCc1c[nH+]c2ccc(C#N)cn12 ZINC000342767479 161089157 /nfs/dbraw/zinc/08/91/57/161089157.db2.gz CXTBXDFVMNGFGS-UHFFFAOYSA-N 2 2 348.410 2.358 10 30 EEEELP O=C(Nc1nc(C[NH+]2CCCCC2)cs1)N1CC[NH+](C2CC2)CC1 ZINC000328852814 465148101 /nfs/dbraw/zinc/14/81/01/465148101.db2.gz SKIUVZKAVCIGHT-UHFFFAOYSA-N 2 2 349.504 2.455 10 30 EEEELP C[NH+](C)[C@@H]1CCCN(C(=O)N[C@@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)C1 ZINC000329224995 465271604 /nfs/dbraw/zinc/27/16/04/465271604.db2.gz CTWZGQZYBGQXTQ-HUUCEWRRSA-N 2 2 347.507 2.435 10 30 EEEELP N#CCCCOc1cccc(C[NH2+]C[C@H](O)C[NH+]2CCCCC2)c1 ZINC000171246502 463824573 /nfs/dbraw/zinc/82/45/73/463824573.db2.gz CTELIRAKSRACSM-SFHVURJKSA-N 2 2 331.460 2.306 10 30 EEEELP C[C@H](c1cccc(F)c1)[NH+]1CCN(C(=O)[C@@H]([NH3+])CCCC#N)CC1 ZINC000424188825 466999330 /nfs/dbraw/zinc/99/93/30/466999330.db2.gz KAWDWDWRTLCIQB-PBHICJAKSA-N 2 2 332.423 2.052 10 30 EEEELP N#CCc1ccc(OC[C@H](O)C[NH+]2CCC(c3c[nH]c[nH+]3)CC2)cc1 ZINC000610990323 469131564 /nfs/dbraw/zinc/13/15/64/469131564.db2.gz HEGJJTJJOPSURD-QGZVFWFLSA-N 2 2 340.427 2.095 10 30 EEEELP C#CC[N@@H+](CC(=O)N1CC[NH+](Cc2ccsc2)CC1)C1CCCC1 ZINC000756910863 577853033 /nfs/dbraw/zinc/85/30/33/577853033.db2.gz LMUBBOXQJBUXBB-UHFFFAOYSA-N 2 2 345.512 2.270 10 30 EEEELP C#CC[N@H+](CC(=O)N1CC[NH+](Cc2ccsc2)CC1)C1CCCC1 ZINC000756910863 577853034 /nfs/dbraw/zinc/85/30/34/577853034.db2.gz LMUBBOXQJBUXBB-UHFFFAOYSA-N 2 2 345.512 2.270 10 30 EEEELP CC[C@H]([NH2+]C[C@H](C)N1CC[NH+](CC)CC1)c1cccc(C#N)c1O ZINC000924674189 693138285 /nfs/dbraw/zinc/13/82/85/693138285.db2.gz YHTZWEUIOSOSML-YJBOKZPZSA-N 2 2 330.476 2.331 10 30 EEEELP CC#CC[NH+]1CCC(N(CCC)C(=O)[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC001266388875 1176462086 /nfs/dbraw/zinc/46/20/86/1176462086.db2.gz UXFSLEXVPLSRIT-KRWDZBQOSA-N 2 2 342.487 2.172 10 30 EEEELP C=CCCCCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001266535104 1176775229 /nfs/dbraw/zinc/77/52/29/1176775229.db2.gz TUOYIDWLKQAROB-SJORKVTESA-N 2 2 330.476 2.382 10 30 EEEELP C[C@H](CC(=O)N(C)CC[NH2+]Cc1cc(C#N)ccc1F)n1cc[nH+]c1 ZINC001266848560 1177546767 /nfs/dbraw/zinc/54/67/67/1177546767.db2.gz WNOXKYFCRQLWFJ-CQSZACIVSA-N 2 2 343.406 2.093 10 30 EEEELP CC#CC[NH2+]C[C@@H]1CCCCN1C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001266874176 1177679369 /nfs/dbraw/zinc/67/93/69/1177679369.db2.gz GTMXHEIJQUSTOS-IBGZPJMESA-N 2 2 336.439 2.480 10 30 EEEELP C#CCC[N@H+]1CC[C@@H](N(CCC)C(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001267458704 1179046099 /nfs/dbraw/zinc/04/60/99/1179046099.db2.gz DMGBRHHHUVQLPX-GOSISDBHSA-N 2 2 342.487 2.098 10 30 EEEELP C#CC[NH2+]C[C@@]1(NC(=O)Cc2cn3c([nH+]2)CCCC3)CCCC[C@@H]1C ZINC001481959100 1183038911 /nfs/dbraw/zinc/03/89/11/1183038911.db2.gz UITBJIDHESXYOY-JXFKEZNVSA-N 2 2 342.487 2.050 10 30 EEEELP C=CCOCC[NH2+][C@@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1C ZINC001482422785 1185667848 /nfs/dbraw/zinc/66/78/48/1185667848.db2.gz HEHLJWJKSJIZCT-GDBMZVCRSA-N 2 2 342.443 2.206 10 30 EEEELP C=C(C)CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001271101931 1185888708 /nfs/dbraw/zinc/88/87/08/1185888708.db2.gz WNMCSUMQAHSSNX-CQSZACIVSA-N 2 2 340.418 2.002 10 30 EEEELP C=C(C)CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001271101931 1185888712 /nfs/dbraw/zinc/88/87/12/1185888712.db2.gz WNMCSUMQAHSSNX-CQSZACIVSA-N 2 2 340.418 2.002 10 30 EEEELP C=C(C)C[NH2+]CC[C@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001271575548 1186322894 /nfs/dbraw/zinc/32/28/94/1186322894.db2.gz HHTJFNMOLIVPGW-BRWVUGGUSA-N 2 2 330.476 2.461 10 30 EEEELP C=CC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC001271770365 1186472972 /nfs/dbraw/zinc/47/29/72/1186472972.db2.gz MUZHGYRBWFSRKP-ULQDDVLXSA-N 2 2 330.476 2.144 10 30 EEEELP C=CC[NH2+]CCN(Cc1ccccc1)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001271811991 1186510875 /nfs/dbraw/zinc/51/08/75/1186510875.db2.gz CBZFXOSASYXLGB-SFHVURJKSA-N 2 2 338.455 2.250 10 30 EEEELP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]([NH2+]C/C(Cl)=C\Cl)C(C)C ZINC001482535526 1186557132 /nfs/dbraw/zinc/55/71/32/1186557132.db2.gz ABPGRYVTXXXMPZ-FQSSWDBKSA-N 2 2 346.302 2.133 10 30 EEEELP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]([NH2+]C/C(Cl)=C\Cl)C(C)C ZINC001482535526 1186557140 /nfs/dbraw/zinc/55/71/40/1186557140.db2.gz ABPGRYVTXXXMPZ-FQSSWDBKSA-N 2 2 346.302 2.133 10 30 EEEELP C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCn4c[nH+]cc4C3)C[C@@H]2C1 ZINC001691561444 1188263348 /nfs/dbraw/zinc/26/33/48/1188263348.db2.gz GGOIXGVLCCHAJD-KSZLIROESA-N 2 2 342.487 2.192 10 30 EEEELP C=CCCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCn4c[nH+]cc4C3)C[C@@H]2C1 ZINC001691561444 1188263351 /nfs/dbraw/zinc/26/33/51/1188263351.db2.gz GGOIXGVLCCHAJD-KSZLIROESA-N 2 2 342.487 2.192 10 30 EEEELP C=CCOCC[NH2+][C@@H]1CC[C@H](CNC(=O)c2cccc3[nH+]ccn32)C1 ZINC001691606975 1188305851 /nfs/dbraw/zinc/30/58/51/1188305851.db2.gz APSQMIPHMSKUKP-JKSUJKDBSA-N 2 2 342.443 2.025 10 30 EEEELP C#CCN(C(=O)Cc1c[nH+]c[nH]1)C1CC[NH+](CC2CCCCC2)CC1 ZINC001483986988 1191143194 /nfs/dbraw/zinc/14/31/94/1191143194.db2.gz AJXZVFWAIDYFFW-UHFFFAOYSA-N 2 2 342.487 2.459 10 30 EEEELP CC#CC[NH2+]C1(CNC(=O)C2CC2)CC[NH+](Cc2ccccc2)CC1 ZINC001486452425 1193974356 /nfs/dbraw/zinc/97/43/56/1193974356.db2.gz ZCHLKBGKYNOZAB-UHFFFAOYSA-N 2 2 339.483 2.160 10 30 EEEELP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CC[NH+](Cc2ccc(CC)s2)CC1 ZINC000876751746 1199756287 /nfs/dbraw/zinc/75/62/87/1199756287.db2.gz WXOVFICRWGOOQD-OAHLLOKOSA-N 2 2 341.908 2.425 10 30 EEEELP COC(=O)[C@@H](c1ccc(C#N)cc1)[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000866669074 1201574898 /nfs/dbraw/zinc/57/48/98/1201574898.db2.gz OPQVUDQURRDJPK-RBUKOAKNSA-N 2 2 341.455 2.484 10 30 EEEELP Cc1cn(C(C)(C)C(=O)N[C@H](C)C[NH2+]CC#Cc2ccccc2)c[nH+]1 ZINC001274803244 1205169046 /nfs/dbraw/zinc/16/90/46/1205169046.db2.gz ANRDRGUBVWRTFP-MRXNPFEDSA-N 2 2 338.455 2.073 10 30 EEEELP C=CCOCC[N@@H+](C)C[C@@H]1CCCN1C(=O)c1cccc2[nH+]ccn21 ZINC001275127951 1205263212 /nfs/dbraw/zinc/26/32/12/1205263212.db2.gz CMZOOIQXOOXDEZ-INIZCTEOSA-N 2 2 342.443 2.073 10 30 EEEELP C=CCOCC[N@H+](C)C[C@@H]1CCCN1C(=O)c1cccc2[nH+]ccn21 ZINC001275127951 1205263213 /nfs/dbraw/zinc/26/32/13/1205263213.db2.gz CMZOOIQXOOXDEZ-INIZCTEOSA-N 2 2 342.443 2.073 10 30 EEEELP C=CCC[NH2+]CC(C)(C)CN(C)C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001275668112 1205474759 /nfs/dbraw/zinc/47/47/59/1205474759.db2.gz CYANVHQDOGWTSD-UHFFFAOYSA-N 2 2 332.492 2.412 10 30 EEEELP CN(CCC[NH2+]CC#Cc1ccc(Cl)cc1)C(=O)Cn1cc[nH+]c1 ZINC001276412216 1321902484 /nfs/dbraw/zinc/90/24/84/1321902484.db2.gz XFODTRRLUVLLDK-UHFFFAOYSA-N 2 2 344.846 2.026 10 30 EEEELP C=CCOCC[N@@H+]1CCC[C@H](NC(=O)c2cccc3[nH+]ccn32)CC1 ZINC001280742673 1324467578 /nfs/dbraw/zinc/46/75/78/1324467578.db2.gz APMWNEDNNGMLIZ-INIZCTEOSA-N 2 2 342.443 2.121 10 30 EEEELP C=CCOCC[N@H+]1CCC[C@H](NC(=O)c2cccc3[nH+]ccn32)CC1 ZINC001280742673 1324467581 /nfs/dbraw/zinc/46/75/81/1324467581.db2.gz APMWNEDNNGMLIZ-INIZCTEOSA-N 2 2 342.443 2.121 10 30 EEEELP C=C(C)C[NH2+]C[C@@H](NC(=O)Cc1cn2cccc(C)c2[nH+]1)C1CC1 ZINC001276680640 1325215008 /nfs/dbraw/zinc/21/50/08/1325215008.db2.gz IEDSBAOBZVVGCD-QGZVFWFLSA-N 2 2 326.444 2.246 10 30 EEEELP C=C(C)CC[NH2+][C@H]1CN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1(C)C ZINC001284292339 1326491456 /nfs/dbraw/zinc/49/14/56/1326491456.db2.gz FOPMMBLVRUUWOW-WBVHZDCISA-N 2 2 330.476 2.238 10 30 EEEELP C=CCC[C@H](C)[NH+]1CCC(C2(NC(=O)[C@@H]3C[N@H+](C)CCO3)CC2)CC1 ZINC001284844742 1326740958 /nfs/dbraw/zinc/74/09/58/1326740958.db2.gz ZAUDQMRDWFTGGR-WMZOPIPTSA-N 2 2 349.519 2.033 10 30 EEEELP C=CCC[C@H](C)[NH+]1CCC(C2(NC(=O)[C@@H]3C[N@@H+](C)CCO3)CC2)CC1 ZINC001284844742 1326740959 /nfs/dbraw/zinc/74/09/59/1326740959.db2.gz ZAUDQMRDWFTGGR-WMZOPIPTSA-N 2 2 349.519 2.033 10 30 EEEELP C[N@@H+](CC#Cc1ccccc1)CCCNC(=O)CCCn1cc[nH+]c1 ZINC001316867813 1331793671 /nfs/dbraw/zinc/79/36/71/1331793671.db2.gz TXOZYOKOADASFI-UHFFFAOYSA-N 2 2 338.455 2.153 10 30 EEEELP C[N@H+](CC#Cc1ccccc1)CCCNC(=O)CCCn1cc[nH+]c1 ZINC001316867813 1331793674 /nfs/dbraw/zinc/79/36/74/1331793674.db2.gz TXOZYOKOADASFI-UHFFFAOYSA-N 2 2 338.455 2.153 10 30 EEEELP C=CCCC[N@H+]1CC[C@H](N(CC)C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001318471928 1332546057 /nfs/dbraw/zinc/54/60/57/1332546057.db2.gz GHQZIZVYDIOFIK-IRXDYDNUSA-N 2 2 330.476 2.335 10 30 EEEELP C=CCCC[N@@H+]1CC[C@H](N(CC)C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001318471928 1332546061 /nfs/dbraw/zinc/54/60/61/1332546061.db2.gz GHQZIZVYDIOFIK-IRXDYDNUSA-N 2 2 330.476 2.335 10 30 EEEELP C=CC[NH2+]C[C@H]1CC[C@H](NC(=O)c2cc([C@H]3CCC[N@H+]3C)n[nH]2)CC1 ZINC001326521711 1334109241 /nfs/dbraw/zinc/10/92/41/1334109241.db2.gz NYVSCGYBJCYXAM-IIDMSEBBSA-N 2 2 345.491 2.241 10 30 EEEELP C=CC[NH2+]C[C@H]1CC[C@H](NC(=O)c2cc([C@H]3CCC[N@@H+]3C)n[nH]2)CC1 ZINC001326521711 1334109244 /nfs/dbraw/zinc/10/92/44/1334109244.db2.gz NYVSCGYBJCYXAM-IIDMSEBBSA-N 2 2 345.491 2.241 10 30 EEEELP C=CCC[C@@H](C)[NH2+]CC1(O)CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001328195894 1334413207 /nfs/dbraw/zinc/41/32/07/1334413207.db2.gz BKEKICSJHLPHKE-IAGOWNOFSA-N 2 2 348.491 2.132 10 30 EEEELP C#CC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001328694854 1334500961 /nfs/dbraw/zinc/50/09/61/1334500961.db2.gz XGCJRWHJVAOUBB-NJDAHSKKSA-N 2 2 347.462 2.294 10 30 EEEELP C=CCC[NH2+]C[C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1C(F)(F)F ZINC001332459578 1335828736 /nfs/dbraw/zinc/82/87/36/1335828736.db2.gz MRLFENKOYUGUHY-ZIAGYGMSSA-N 2 2 344.381 2.076 10 30 EEEELP CC#CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001569442545 1342870781 /nfs/dbraw/zinc/87/07/81/1342870781.db2.gz YPRUYYVKRYQWEH-DUZACMNTSA-N 2 2 328.460 2.113 10 30 EEEELP CC#CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001569442545 1342870786 /nfs/dbraw/zinc/87/07/86/1342870786.db2.gz YPRUYYVKRYQWEH-DUZACMNTSA-N 2 2 328.460 2.113 10 30 EEEELP C=CCCC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH+](CCOCC)CC1 ZINC001570219820 1343034621 /nfs/dbraw/zinc/03/46/21/1343034621.db2.gz HSWOPEMYOVUBFL-KDURUIRLSA-N 2 2 349.519 2.129 10 30 EEEELP C=CCCC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH+](CCOCC)CC1 ZINC001570219820 1343034625 /nfs/dbraw/zinc/03/46/25/1343034625.db2.gz HSWOPEMYOVUBFL-KDURUIRLSA-N 2 2 349.519 2.129 10 30 EEEELP C=CCC[C@@H](C)[N@H+](C)C[C@@H](O)CN(C)C(=O)c1cccc2[nH+]ccn21 ZINC001677160009 1357287003 /nfs/dbraw/zinc/28/70/03/1357287003.db2.gz AWHDMBVADNCNKO-HZPDHXFCSA-N 2 2 344.459 2.054 10 30 EEEELP C=CCC[C@@H](C)[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1cccc2[nH+]ccn21 ZINC001677160009 1357287006 /nfs/dbraw/zinc/28/70/06/1357287006.db2.gz AWHDMBVADNCNKO-HZPDHXFCSA-N 2 2 344.459 2.054 10 30 EEEELP C=CCOc1cccc(C[NH2+]CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)c1 ZINC001661224689 1354612019 /nfs/dbraw/zinc/61/20/19/1354612019.db2.gz SAOCZAARDMEUGM-IBGZPJMESA-N 2 2 345.487 2.284 10 30 EEEELP C=CCOc1cccc(C[NH2+]CCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)c1 ZINC001661224689 1354612023 /nfs/dbraw/zinc/61/20/23/1354612023.db2.gz SAOCZAARDMEUGM-IBGZPJMESA-N 2 2 345.487 2.284 10 30 EEEELP C=CCC[NH+]1CCC(C)(CNC(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC001671842112 1356423772 /nfs/dbraw/zinc/42/37/72/1356423772.db2.gz CXDVMYRWDPNXDM-INIZCTEOSA-N 2 2 330.476 2.240 10 30 EEEELP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)c2ccn3c(C)c[nH+]c3c2)CCO1 ZINC001673273863 1356660066 /nfs/dbraw/zinc/66/00/66/1356660066.db2.gz JARGQLCXCBXSBN-QGZVFWFLSA-N 2 2 342.443 2.040 10 30 EEEELP C=CCc1ccc(OC[C@@H](O)C[N@@H+]2CCCCC[C@@H]([NH3+])C2)c(OC)c1 ZINC000923409694 789515638 /nfs/dbraw/zinc/51/56/38/789515638.db2.gz DNBCJBGXSHMIIG-MSOLQXFVSA-N 2 2 348.487 2.367 10 30 EEEELP C=CCc1ccc(OC[C@@H](O)C[N@H+]2CCCCC[C@@H]([NH3+])C2)c(OC)c1 ZINC000923409694 789515642 /nfs/dbraw/zinc/51/56/42/789515642.db2.gz DNBCJBGXSHMIIG-MSOLQXFVSA-N 2 2 348.487 2.367 10 30 EEEELP CCC[N@H+](C)CC(=O)N[C@H]1C[NH+](Cc2ccc(C#N)s2)CC1(C)C ZINC001448418840 1093427448 /nfs/dbraw/zinc/42/74/48/1093427448.db2.gz PHMGOUJCJMEANL-INIZCTEOSA-N 2 2 348.516 2.288 10 30 EEEELP CCC[N@@H+](C)CC(=O)N[C@H]1C[NH+](Cc2ccc(C#N)s2)CC1(C)C ZINC001448418840 1093427452 /nfs/dbraw/zinc/42/74/52/1093427452.db2.gz PHMGOUJCJMEANL-INIZCTEOSA-N 2 2 348.516 2.288 10 30 EEEELP CCC[NH+](C)CC(=O)N[C@H]1C[N@H+](Cc2ccc(C#N)s2)CC1(C)C ZINC001448418840 1093427457 /nfs/dbraw/zinc/42/74/57/1093427457.db2.gz PHMGOUJCJMEANL-INIZCTEOSA-N 2 2 348.516 2.288 10 30 EEEELP CCC[NH+](C)CC(=O)N[C@H]1C[N@@H+](Cc2ccc(C#N)s2)CC1(C)C ZINC001448418840 1093427461 /nfs/dbraw/zinc/42/74/61/1093427461.db2.gz PHMGOUJCJMEANL-INIZCTEOSA-N 2 2 348.516 2.288 10 30 EEEELP C=CCCC[NH2+][C@H]1C[C@H](NC(=O)Cc2cn3cccc(C)c3[nH+]2)C1 ZINC001480160416 1099733696 /nfs/dbraw/zinc/73/36/96/1099733696.db2.gz GFAXVOHDOGLZBD-WKILWMFISA-N 2 2 326.444 2.388 10 30 EEEELP C=CCC[NH2+]C1CCC(NC(=O)c2cc([C@H]3CCC[N@H+]3C)n[nH]2)CC1 ZINC001480402504 1100215366 /nfs/dbraw/zinc/21/53/66/1100215366.db2.gz FUPRNCZRLUCNTF-JTTJXQCZSA-N 2 2 345.491 2.383 10 30 EEEELP C=CCC[NH2+]C1CCC(NC(=O)c2cc([C@H]3CCC[N@@H+]3C)n[nH]2)CC1 ZINC001480402504 1100215370 /nfs/dbraw/zinc/21/53/70/1100215370.db2.gz FUPRNCZRLUCNTF-JTTJXQCZSA-N 2 2 345.491 2.383 10 30 EEEELP C=C(C)CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001494140315 1103588888 /nfs/dbraw/zinc/58/88/88/1103588888.db2.gz HJDDJWCMCNUBDH-IAGOWNOFSA-N 2 2 330.476 2.192 10 30 EEEELP C=C(C)CC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001494140315 1103588895 /nfs/dbraw/zinc/58/88/95/1103588895.db2.gz HJDDJWCMCNUBDH-IAGOWNOFSA-N 2 2 330.476 2.192 10 30 EEEELP C=CCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)CCc1[nH+]ccn1C ZINC001499491928 1112319929 /nfs/dbraw/zinc/31/99/29/1112319929.db2.gz HQXNANSXNYBMOM-ALOPSCKCSA-N 2 2 330.476 2.431 10 30 EEEELP C#CCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CCCn1cc[nH+]c1)C2 ZINC001501173884 1113228494 /nfs/dbraw/zinc/22/84/94/1113228494.db2.gz RQTPUSKRZSWHKG-BCDXTJNWSA-N 2 2 328.460 2.046 10 30 EEEELP C#CCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CCCn1cc[nH+]c1)C2 ZINC001501173884 1113228497 /nfs/dbraw/zinc/22/84/97/1113228497.db2.gz RQTPUSKRZSWHKG-BCDXTJNWSA-N 2 2 328.460 2.046 10 30 EEEELP C=C(C)CC[N@@H+](CC)CC1CCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC001505400626 1113938091 /nfs/dbraw/zinc/93/80/91/1113938091.db2.gz XHZCTSISXHYLSP-UHFFFAOYSA-N 2 2 332.492 2.489 10 30 EEEELP C=C(C)CC[N@H+](CC)CC1CCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC001505400626 1113938093 /nfs/dbraw/zinc/93/80/93/1113938093.db2.gz XHZCTSISXHYLSP-UHFFFAOYSA-N 2 2 332.492 2.489 10 30 EEEELP C=CC[N@@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)CCCn3cc[nH+]c3)C2)C1 ZINC001505472598 1114009804 /nfs/dbraw/zinc/00/98/04/1114009804.db2.gz IYPAJQCZQZHBOI-QZTJIDSGSA-N 2 2 330.476 2.410 10 30 EEEELP C=CC[N@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)CCCn3cc[nH+]c3)C2)C1 ZINC001505472598 1114009807 /nfs/dbraw/zinc/00/98/07/1114009807.db2.gz IYPAJQCZQZHBOI-QZTJIDSGSA-N 2 2 330.476 2.410 10 30 EEEELP CC(C)[N@H+](C)CC(=O)N[C@H]1CCC[NH+](Cc2ccc(C#N)s2)[C@H]1C ZINC001507384310 1115243099 /nfs/dbraw/zinc/24/30/99/1115243099.db2.gz DVZIUFCTYJNSMK-YOEHRIQHSA-N 2 2 348.516 2.429 10 30 EEEELP CC(C)[N@@H+](C)CC(=O)N[C@H]1CCC[NH+](Cc2ccc(C#N)s2)[C@H]1C ZINC001507384310 1115243102 /nfs/dbraw/zinc/24/31/02/1115243102.db2.gz DVZIUFCTYJNSMK-YOEHRIQHSA-N 2 2 348.516 2.429 10 30 EEEELP CC(C)[NH+](C)CC(=O)N[C@H]1CCC[N@H+](Cc2ccc(C#N)s2)[C@H]1C ZINC001507384310 1115243105 /nfs/dbraw/zinc/24/31/05/1115243105.db2.gz DVZIUFCTYJNSMK-YOEHRIQHSA-N 2 2 348.516 2.429 10 30 EEEELP CC(C)[NH+](C)CC(=O)N[C@H]1CCC[N@@H+](Cc2ccc(C#N)s2)[C@H]1C ZINC001507384310 1115243107 /nfs/dbraw/zinc/24/31/07/1115243107.db2.gz DVZIUFCTYJNSMK-YOEHRIQHSA-N 2 2 348.516 2.429 10 30 EEEELP CC#CC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC001568538011 1124599914 /nfs/dbraw/zinc/59/99/14/1124599914.db2.gz VTUWAAMPMOQKOK-AEFFLSMTSA-N 2 2 338.455 2.083 10 30 EEEELP C[C@@H](CC(=O)NC/C=C\C[NH2+]Cc1ccc(C#N)cc1)n1cc[nH+]c1 ZINC001568926815 1124955872 /nfs/dbraw/zinc/95/58/72/1124955872.db2.gz JZJZIERQQPQIOW-YPQKKHBXSA-N 2 2 337.427 2.168 10 30 EEEELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1CC(=O)Nc1oc(C)c(C)c1C#N ZINC000154570326 462784345 /nfs/dbraw/zinc/78/43/45/462784345.db2.gz QTFRBLNVLQEWLD-OAHLLOKOSA-N 2 2 341.415 2.376 10 30 EEEELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CC(=O)Nc1oc(C)c(C)c1C#N ZINC000154570326 462784351 /nfs/dbraw/zinc/78/43/51/462784351.db2.gz QTFRBLNVLQEWLD-OAHLLOKOSA-N 2 2 341.415 2.376 10 30 EEEELP C[NH+](C)C1CC[NH+](CCC(=O)Nc2sc3c(c2C#N)CCC3)CC1 ZINC000134984910 463104742 /nfs/dbraw/zinc/10/47/42/463104742.db2.gz SPVWDYGORZPEHH-UHFFFAOYSA-N 2 2 346.500 2.463 10 30 EEEELP CC1([NH+]2CCOCC2)CC[NH+](CCOc2cccc(C#N)c2)CC1 ZINC000528730627 467742171 /nfs/dbraw/zinc/74/21/71/467742171.db2.gz YLBXAHBOKXRSQV-UHFFFAOYSA-N 2 2 329.444 2.124 10 30 EEEELP N#Cc1ccc(OC[C@H](O)C[NH2+]C[C@H]2CC[N@@H+]2C2CCCCC2)cc1 ZINC000600748784 468647289 /nfs/dbraw/zinc/64/72/89/468647289.db2.gz DLZOIEVQBIVRID-RTBURBONSA-N 2 2 343.471 2.295 10 30 EEEELP N#Cc1ccc(OC[C@H](O)C[NH2+]C[C@H]2CC[N@H+]2C2CCCCC2)cc1 ZINC000600748784 468647292 /nfs/dbraw/zinc/64/72/92/468647292.db2.gz DLZOIEVQBIVRID-RTBURBONSA-N 2 2 343.471 2.295 10 30 EEEELP Cc1cncc(CC[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)n1 ZINC000594996419 468741276 /nfs/dbraw/zinc/74/12/76/468741276.db2.gz ZUBWPWURTPYEPF-UHFFFAOYSA-N 2 2 335.455 2.453 10 30 EEEELP C=CC[C@@H]1CCN(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)C1 ZINC000623564671 469695419 /nfs/dbraw/zinc/69/54/19/469695419.db2.gz MYOFSWHIZMKWLT-MRXNPFEDSA-N 2 2 334.508 2.153 10 30 EEEELP C=CC[C@@H]1CC[N@H+](CC(=O)N2CC[NH+](Cc3ccsc3)CC2)C1 ZINC000625705021 470170380 /nfs/dbraw/zinc/17/03/80/470170380.db2.gz QEEWXNMHKCUTOC-MRXNPFEDSA-N 2 2 333.501 2.290 10 30 EEEELP C=CC[C@@H]1CC[N@@H+](CC(=O)N2CC[NH+](Cc3ccsc3)CC2)C1 ZINC000625705021 470170381 /nfs/dbraw/zinc/17/03/81/470170381.db2.gz QEEWXNMHKCUTOC-MRXNPFEDSA-N 2 2 333.501 2.290 10 30 EEEELP C=C1C[C@H]2CC[C@@H](C1)[N@H+]2CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000662080136 471978321 /nfs/dbraw/zinc/97/83/21/471978321.db2.gz NOUXCEVMOURNTN-HDICACEKSA-N 2 2 340.471 2.303 10 30 EEEELP C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000662080136 471978327 /nfs/dbraw/zinc/97/83/27/471978327.db2.gz NOUXCEVMOURNTN-HDICACEKSA-N 2 2 340.471 2.303 10 30 EEEELP C=C(C)C[NH+]1CCC([NH2+]Cc2cnnn2Cc2ccccc2)CC1 ZINC000291875293 526603697 /nfs/dbraw/zinc/60/36/97/526603697.db2.gz GJNNYNMCQMRXKN-UHFFFAOYSA-N 2 2 325.460 2.457 10 30 EEEELP CC[C@@H]([NH2+]C[C@H](C)CN1CC[NH+](C)CC1)c1cccc(C#N)c1O ZINC000924947907 681819320 /nfs/dbraw/zinc/81/93/20/681819320.db2.gz DSNNEQGPVKSDDV-MAUKXSAKSA-N 2 2 330.476 2.188 10 30 EEEELP C=CCC[NH2+][C@H](C)C1CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC001267488758 1179157156 /nfs/dbraw/zinc/15/71/56/1179157156.db2.gz NNXBDKAHYXNWCQ-NVXWUHKLSA-N 2 2 330.476 2.238 10 30 EEEELP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](CC)Cc1cc(C)ccc1F ZINC001480981045 1179418130 /nfs/dbraw/zinc/41/81/30/1179418130.db2.gz UVJPHMMYWNEYKH-IBGZPJMESA-N 2 2 345.462 2.170 10 30 EEEELP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@H+](CC)Cc1cc(C)ccc1F ZINC001480981045 1179418133 /nfs/dbraw/zinc/41/81/33/1179418133.db2.gz UVJPHMMYWNEYKH-IBGZPJMESA-N 2 2 345.462 2.170 10 30 EEEELP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH+](CC)Cc1cc(C)ccc1F ZINC001480981045 1179418134 /nfs/dbraw/zinc/41/81/34/1179418134.db2.gz UVJPHMMYWNEYKH-IBGZPJMESA-N 2 2 345.462 2.170 10 30 EEEELP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](CC)Cc1cc(C)ccc1F ZINC001480981045 1179418137 /nfs/dbraw/zinc/41/81/37/1179418137.db2.gz UVJPHMMYWNEYKH-IBGZPJMESA-N 2 2 345.462 2.170 10 30 EEEELP CC#CC[NH2+]CCC1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)CC1 ZINC001267908585 1180744543 /nfs/dbraw/zinc/74/45/43/1180744543.db2.gz JVGSPAUMHSHDAF-UHFFFAOYSA-N 2 2 338.455 2.498 10 30 EEEELP CC#CC[NH2+]C[C@@H](NC(=O)[C@@H]1CCc2[nH+]ccn2C1)C1CCCCC1 ZINC001268121053 1181768048 /nfs/dbraw/zinc/76/80/48/1181768048.db2.gz YXJZUTZVZMAOLE-QZTJIDSGSA-N 2 2 342.487 2.124 10 30 EEEELP C=CCC[NH+]1CCC(CCNC(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC001270124414 1184865477 /nfs/dbraw/zinc/86/54/77/1184865477.db2.gz BQKQZOQYHSEODH-KRWDZBQOSA-N 2 2 330.476 2.240 10 30 EEEELP C=C(Cl)C[NH2+]C[C@H](CC(C)C)NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001482386880 1185586666 /nfs/dbraw/zinc/58/66/66/1185586666.db2.gz JOZSWRMVCPAXLJ-GJZGRUSLSA-N 2 2 338.883 2.319 10 30 EEEELP C=C(C)C[NH2+]C1(CC)CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC001484813372 1191533835 /nfs/dbraw/zinc/53/38/35/1191533835.db2.gz ORFWFLVQENSNDP-INIZCTEOSA-N 2 2 330.476 2.382 10 30 EEEELP C=C(Cl)C[NH+](C)[C@@H](C)CNC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001485349485 1191750211 /nfs/dbraw/zinc/75/02/11/1191750211.db2.gz GWVBLEQRKYQMOK-XJKSGUPXSA-N 2 2 333.879 2.388 10 30 EEEELP C=C(Cl)C[NH+](C)[C@@H](C)CNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001485349485 1191750210 /nfs/dbraw/zinc/75/02/10/1191750210.db2.gz GWVBLEQRKYQMOK-XJKSGUPXSA-N 2 2 333.879 2.388 10 30 EEEELP C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001485349485 1191750213 /nfs/dbraw/zinc/75/02/13/1191750213.db2.gz GWVBLEQRKYQMOK-XJKSGUPXSA-N 2 2 333.879 2.388 10 30 EEEELP C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001485349485 1191750215 /nfs/dbraw/zinc/75/02/15/1191750215.db2.gz GWVBLEQRKYQMOK-XJKSGUPXSA-N 2 2 333.879 2.388 10 30 EEEELP C[C@H](CN(C)C(=O)C(C)(C)c1c[nH+]c[nH]1)[NH2+]Cc1ccc(C#N)s1 ZINC001410496733 1198051319 /nfs/dbraw/zinc/05/13/19/1198051319.db2.gz OOSCHTPQSHIWKP-GFCCVEGCSA-N 2 2 345.472 2.257 10 30 EEEELP C[C@@H]1C[NH+](C(C)(C)CNC(=[NH2+])NCCc2cccs2)C[C@@H](C)O1 ZINC000303790590 1213906893 /nfs/dbraw/zinc/90/68/93/1213906893.db2.gz WNHFVJGRBWCIFW-ZIAGYGMSSA-N 2 2 338.521 2.083 10 30 EEEELP C#CC[NH+]1CCCC[C@H]1CNC(=O)[C@H](c1ccccc1)[N@@H+](C)CC ZINC001491229585 1258818784 /nfs/dbraw/zinc/81/87/84/1258818784.db2.gz IRNAUXFNRNBPOH-OALUTQOASA-N 2 2 327.472 2.283 10 30 EEEELP C#CC[NH+]1CCCC[C@H]1CNC(=O)[C@H](c1ccccc1)[N@H+](C)CC ZINC001491229585 1258818792 /nfs/dbraw/zinc/81/87/92/1258818792.db2.gz IRNAUXFNRNBPOH-OALUTQOASA-N 2 2 327.472 2.283 10 30 EEEELP C#CC[N@H+]1CCCC[C@H]1CNC(=O)[C@H](c1ccccc1)[NH+](C)CC ZINC001491229585 1258818798 /nfs/dbraw/zinc/81/87/98/1258818798.db2.gz IRNAUXFNRNBPOH-OALUTQOASA-N 2 2 327.472 2.283 10 30 EEEELP C#CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H](c1ccccc1)[NH+](C)CC ZINC001491229585 1258818803 /nfs/dbraw/zinc/81/88/03/1258818803.db2.gz IRNAUXFNRNBPOH-OALUTQOASA-N 2 2 327.472 2.283 10 30 EEEELP C=C(C)C[N@@H+](CCOC)C1CCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001277413773 1302924568 /nfs/dbraw/zinc/92/45/68/1302924568.db2.gz ZEXRPENTPUBHHG-INIZCTEOSA-N 2 2 348.491 2.104 10 30 EEEELP C=C(C)C[N@H+](CCOC)C1CCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001277413773 1302924570 /nfs/dbraw/zinc/92/45/70/1302924570.db2.gz ZEXRPENTPUBHHG-INIZCTEOSA-N 2 2 348.491 2.104 10 30 EEEELP C=C(C)C[N@@H+](CCOC)C1CCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001277413773 1302924575 /nfs/dbraw/zinc/92/45/75/1302924575.db2.gz ZEXRPENTPUBHHG-INIZCTEOSA-N 2 2 348.491 2.104 10 30 EEEELP C=C(C)C[N@H+](CCOC)C1CCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001277413773 1302924579 /nfs/dbraw/zinc/92/45/79/1302924579.db2.gz ZEXRPENTPUBHHG-INIZCTEOSA-N 2 2 348.491 2.104 10 30 EEEELP C=CCOCC[NH2+][C@H]1C[C@@H](CNC(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001263839112 1322533788 /nfs/dbraw/zinc/53/37/88/1322533788.db2.gz OJRGZCRIJMKDQY-CALCHBBNSA-N 2 2 331.460 2.307 10 30 EEEELP CC#CC[N@@H+]1CCC[C@@H]1CCCNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001266216371 1323784520 /nfs/dbraw/zinc/78/45/20/1323784520.db2.gz RLICGSTVQOCQNL-SFHVURJKSA-N 2 2 342.487 2.146 10 30 EEEELP CC#CC[N@H+]1CCC[C@@H]1CCCNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001266216371 1323784523 /nfs/dbraw/zinc/78/45/23/1323784523.db2.gz RLICGSTVQOCQNL-SFHVURJKSA-N 2 2 342.487 2.146 10 30 EEEELP CC#CC[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001317189274 1332122546 /nfs/dbraw/zinc/12/25/46/1332122546.db2.gz IPSRPCBLZPEHME-ZWKOTPCHSA-N 2 2 330.476 2.464 10 30 EEEELP N#Cc1ccc(C[NH2+]C/C=C\CNC(=O)c2cccc3[nH+]ccn32)cc1 ZINC001321155432 1333032676 /nfs/dbraw/zinc/03/26/76/1333032676.db2.gz MLGWIZYIVXONAQ-UPHRSURJSA-N 2 2 345.406 2.282 10 30 EEEELP C=CCC[C@H](C)[N@@H+]1C[C@@]2(C)CN(C(=O)Cn3cc[nH+]c3)C[C@@]2(C)C1 ZINC001330536948 1334866538 /nfs/dbraw/zinc/86/65/38/1334866538.db2.gz DFFLTNAGJNHTAJ-YTQUADARSA-N 2 2 330.476 2.408 10 30 EEEELP C=CCC[C@H](C)[N@H+]1C[C@@]2(C)CN(C(=O)Cn3cc[nH+]c3)C[C@@]2(C)C1 ZINC001330536948 1334866541 /nfs/dbraw/zinc/86/65/41/1334866541.db2.gz DFFLTNAGJNHTAJ-YTQUADARSA-N 2 2 330.476 2.408 10 30 EEEELP C=C(C)C[NH2+][C@@H](CNC(=O)CCc1[nH+]ccn1C)c1ccccc1 ZINC001649444240 1353508412 /nfs/dbraw/zinc/50/84/12/1353508412.db2.gz NJRLZNTWKZCIAU-KRWDZBQOSA-N 2 2 326.444 2.376 10 30 EEEELP C=CCCC[N@@H+](C)[C@H]1CCCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001662845220 1354862864 /nfs/dbraw/zinc/86/28/64/1354862864.db2.gz MICDELPMZKZBKW-WMZOPIPTSA-N 2 2 330.476 2.335 10 30 EEEELP C=CCCC[N@H+](C)[C@H]1CCCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001662845220 1354862868 /nfs/dbraw/zinc/86/28/68/1354862868.db2.gz MICDELPMZKZBKW-WMZOPIPTSA-N 2 2 330.476 2.335 10 30 EEEELP C=CCC[C@H](C)[N@@H+]1CC[C@@H](CNC(=O)Cc2c[nH+]ccc2OC)C1 ZINC001663598763 1354996677 /nfs/dbraw/zinc/99/66/77/1354996677.db2.gz NZWUBQVSTDNYEE-HOTGVXAUSA-N 2 2 331.460 2.426 10 30 EEEELP C=CCC[C@H](C)[N@H+]1CC[C@@H](CNC(=O)Cc2c[nH+]ccc2OC)C1 ZINC001663598763 1354996679 /nfs/dbraw/zinc/99/66/79/1354996679.db2.gz NZWUBQVSTDNYEE-HOTGVXAUSA-N 2 2 331.460 2.426 10 30 EEEELP C#CCN(C(=O)Cc1[nH]cc[nH+]1)C1CC[NH+](CC2CC(C)(C)C2)CC1 ZINC001699785769 1405484403 /nfs/dbraw/zinc/48/44/03/1405484403.db2.gz ZWAZKELJGSMJGN-UHFFFAOYSA-N 2 2 342.487 2.315 10 30 EEEELP C[C@@H](C[NH2+]Cc1ccc(C#N)cc1F)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001439258806 1091910299 /nfs/dbraw/zinc/91/02/99/1091910299.db2.gz CXEJCRZAYUBGJO-KBPBESRZSA-N 2 2 343.406 2.139 10 30 EEEELP C=C(Br)C[NH2+][C@H](C)[C@H](C)NC(=O)CCCn1cc[nH+]c1 ZINC001440852253 1094111120 /nfs/dbraw/zinc/11/11/20/1094111120.db2.gz OZSRMFXAROKCAU-OLZOCXBDSA-N 2 2 343.269 2.055 10 30 EEEELP C[C@@H](CC(=O)NC[C@H](C)[N@H+](C)Cc1cccc(C#N)c1)n1cc[nH+]c1 ZINC001440973693 1094233050 /nfs/dbraw/zinc/23/30/50/1094233050.db2.gz JVXIIFBCJDVOFV-HOTGVXAUSA-N 2 2 339.443 2.343 10 30 EEEELP C[C@@H](CC(=O)NC[C@H](C)[N@@H+](C)Cc1cccc(C#N)c1)n1cc[nH+]c1 ZINC001440973693 1094233054 /nfs/dbraw/zinc/23/30/54/1094233054.db2.gz JVXIIFBCJDVOFV-HOTGVXAUSA-N 2 2 339.443 2.343 10 30 EEEELP C[C@H](CCNC(=O)Cn1cc[nH+]c1)[NH2+]CC#Cc1ccc(Cl)cc1 ZINC001480812164 1107161730 /nfs/dbraw/zinc/16/17/30/1107161730.db2.gz DSOJVFKPIWIXGS-OAHLLOKOSA-N 2 2 344.846 2.073 10 30 EEEELP CC#CC[NH2+][C@H](C)C1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC001493831467 1108713865 /nfs/dbraw/zinc/71/38/65/1108713865.db2.gz TZQUGJZUXRWHGF-MRXNPFEDSA-N 2 2 330.476 2.167 10 30 EEEELP CC[C@@H](C(=O)N(C)C[C@H]1CC[N@@H+]1CC#Cc1ccc(F)cc1)[NH+](C)C ZINC001479247840 1110667498 /nfs/dbraw/zinc/66/74/98/1110667498.db2.gz XOZWCRITXIFXAY-MOPGFXCFSA-N 2 2 345.462 2.050 10 30 EEEELP CC[C@@H](C(=O)N(C)C[C@H]1CC[N@H+]1CC#Cc1ccc(F)cc1)[NH+](C)C ZINC001479247840 1110667500 /nfs/dbraw/zinc/66/75/00/1110667500.db2.gz XOZWCRITXIFXAY-MOPGFXCFSA-N 2 2 345.462 2.050 10 30 EEEELP C=C(C)C[NH2+]C1(CNC(=O)Cc2cn3cccc(C)c3[nH+]2)CCC1 ZINC001502008716 1113557010 /nfs/dbraw/zinc/55/70/10/1113557010.db2.gz PKBJSWUISONUEZ-UHFFFAOYSA-N 2 2 326.444 2.390 10 30 EEEELP C=CCC[C@H](C)[NH+]1CC2(C1)CN(C(=O)C[C@H](C)n1cc[nH+]c1)CCO2 ZINC001502419945 1113675651 /nfs/dbraw/zinc/67/56/51/1113675651.db2.gz IUAXLHKLIXQDKV-IRXDYDNUSA-N 2 2 346.475 2.102 10 30 EEEELP C=CC[N@@H+]1CC[C@H]([C@H]2CCCN(C(=O)CCCn3cc[nH+]c3)C2)C1 ZINC001505472599 1114009541 /nfs/dbraw/zinc/00/95/41/1114009541.db2.gz IYPAJQCZQZHBOI-ROUUACIJSA-N 2 2 330.476 2.410 10 30 EEEELP C=CC[N@H+]1CC[C@H]([C@H]2CCCN(C(=O)CCCn3cc[nH+]c3)C2)C1 ZINC001505472599 1114009544 /nfs/dbraw/zinc/00/95/44/1114009544.db2.gz IYPAJQCZQZHBOI-ROUUACIJSA-N 2 2 330.476 2.410 10 30 EEEELP C=CCCCCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001567858791 1124142568 /nfs/dbraw/zinc/14/25/68/1124142568.db2.gz XKPKTXFDRZJOTI-NEWSRXKRSA-N 2 2 342.487 2.477 10 30 EEEELP C=CCCCCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001567858791 1124142573 /nfs/dbraw/zinc/14/25/73/1124142573.db2.gz XKPKTXFDRZJOTI-NEWSRXKRSA-N 2 2 342.487 2.477 10 30 EEEELP CC[NH+]1CCN(C([O-])=[NH+][C@@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)CC1 ZINC000329311838 539771208 /nfs/dbraw/zinc/77/12/08/539771208.db2.gz ZUGDAYGLQOKMQT-CQSZACIVSA-N 2 2 333.480 2.047 10 30 EEEELP N#Cc1csc(C[NH2+]Cc2ccc(C[NH+]3CCC(O)CC3)cc2)n1 ZINC000352827640 162301641 /nfs/dbraw/zinc/30/16/41/162301641.db2.gz ZGVRMESZOLZTGJ-UHFFFAOYSA-N 2 2 342.468 2.261 10 30 EEEELP C=C(C)C[NH+]1CCC(NC(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)CC1 ZINC000177501560 463721816 /nfs/dbraw/zinc/72/18/16/463721816.db2.gz SNHNJOMEAUZASH-QGZVFWFLSA-N 2 2 331.464 2.098 10 30 EEEELP CN(C)C(NCc1cccnc1-n1cc[nH+]c1)=[NH+]Cc1ccccc1 ZINC000170912487 463740514 /nfs/dbraw/zinc/74/05/14/463740514.db2.gz SQHPXARSDSCOJU-UHFFFAOYSA-N 2 2 334.427 2.475 10 30 EEEELP N#CCCCC[C@@H]([NH3+])C(=O)NCc1cc[nH+]c(N2CCCCCC2)c1 ZINC000594437381 468587216 /nfs/dbraw/zinc/58/72/16/468587216.db2.gz JNYFBSZROUANEG-QGZVFWFLSA-N 2 2 343.475 2.489 10 30 EEEELP C[NH+](C)[C@H]1C[C@@H](C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000594512593 468613153 /nfs/dbraw/zinc/61/31/53/468613153.db2.gz WZGBUXPKROZVBH-PUZFROQSSA-N 3 2 326.488 2.452 10 30 EEEELP C=CCC[C@@H](C)[N@H+](CCNC(=O)[C@@H]1CCc2[nH+]ccn2C1)C1CC1 ZINC001266600216 1176921615 /nfs/dbraw/zinc/92/16/15/1176921615.db2.gz NBEWGWAUVZYQBK-HZPDHXFCSA-N 2 2 330.476 2.381 10 30 EEEELP C=CCC[C@@H](C)[N@@H+](CCNC(=O)[C@@H]1CCc2[nH+]ccn2C1)C1CC1 ZINC001266600216 1176921622 /nfs/dbraw/zinc/92/16/22/1176921622.db2.gz NBEWGWAUVZYQBK-HZPDHXFCSA-N 2 2 330.476 2.381 10 30 EEEELP C=CCC[N@@H+](C)CC1CCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC001267733239 1180326663 /nfs/dbraw/zinc/32/66/63/1180326663.db2.gz HZVWWAKPQNAUSH-QGZVFWFLSA-N 2 2 330.476 2.192 10 30 EEEELP C=CCC[N@H+](C)CC1CCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC001267733239 1180326672 /nfs/dbraw/zinc/32/66/72/1180326672.db2.gz HZVWWAKPQNAUSH-QGZVFWFLSA-N 2 2 330.476 2.192 10 30 EEEELP C=C(C)C[NH2+][C@H](C)C1CCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC001481334464 1181058275 /nfs/dbraw/zinc/05/82/75/1181058275.db2.gz LNXQLAMKCXESFD-NVXWUHKLSA-N 2 2 330.476 2.238 10 30 EEEELP C=C(C)CC[NH2+]C[C@](C)(NC(=O)[C@@H]1CCc2c[nH+]cn2C1)C1CC1 ZINC001481933738 1182986141 /nfs/dbraw/zinc/98/61/41/1182986141.db2.gz OTIIGVWTQBSHJG-BEFAXECRSA-N 2 2 330.476 2.286 10 30 EEEELP C#CC[NH2+]C[C@@H](NC(=O)C(C)(C)n1c[nH+]c(C)c1)C1CCCCC1 ZINC001271341520 1186150043 /nfs/dbraw/zinc/15/00/43/1186150043.db2.gz QYXPPGBIUOEDJK-QGZVFWFLSA-N 2 2 330.476 2.215 10 30 EEEELP C[C@@H](CC[NH2+]CC#Cc1ccccc1)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001482879556 1187798544 /nfs/dbraw/zinc/79/85/44/1187798544.db2.gz WVFNBRUDRBSHQR-ROUUACIJSA-N 2 2 338.455 2.370 10 30 EEEELP CC(=NNC(=S)NCCC[NH+](C)C)c1cccc(-n2cc[nH+]c2)c1 ZINC000905447905 1189719926 /nfs/dbraw/zinc/71/99/26/1189719926.db2.gz JIHMJEJUIMUGQJ-UHFFFAOYSA-N 2 2 344.488 2.012 10 30 EEEELP C=C(C)CC[NH2+]C[C@H]1CCCCN1C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001484616800 1191443489 /nfs/dbraw/zinc/44/34/89/1191443489.db2.gz OBEBQMNXOOXJEG-SJLPKXTDSA-N 2 2 330.476 2.382 10 30 EEEELP C=C(C)CC[NH+](C)[C@H](C)CNC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC001485342301 1191746730 /nfs/dbraw/zinc/74/67/30/1191746730.db2.gz QOWOXPHSLJOONW-AEFFLSMTSA-N 2 2 337.508 2.033 10 30 EEEELP C=C(C)CC[NH+](C)[C@H](C)CNC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC001485342301 1191746732 /nfs/dbraw/zinc/74/67/32/1191746732.db2.gz QOWOXPHSLJOONW-AEFFLSMTSA-N 2 2 337.508 2.033 10 30 EEEELP C=C(C)CC[N@@H+](C)[C@H](C)CNC(=O)[C@@H]1COCC[NH+]1C1CCCC1 ZINC001485342301 1191746733 /nfs/dbraw/zinc/74/67/33/1191746733.db2.gz QOWOXPHSLJOONW-AEFFLSMTSA-N 2 2 337.508 2.033 10 30 EEEELP C=C(C)CC[N@H+](C)[C@H](C)CNC(=O)[C@@H]1COCC[NH+]1C1CCCC1 ZINC001485342301 1191746735 /nfs/dbraw/zinc/74/67/35/1191746735.db2.gz QOWOXPHSLJOONW-AEFFLSMTSA-N 2 2 337.508 2.033 10 30 EEEELP C=CCCC[NH2+][C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CC[C@@H]1C(F)(F)F ZINC001486452960 1193974670 /nfs/dbraw/zinc/97/46/70/1193974670.db2.gz RXKPMZHTDXVZKP-STQMWFEESA-N 2 2 344.381 2.287 10 30 EEEELP C=CC[C@@H](C(=O)OC)[NH+]1CC[C@H](Oc2ccnc(C[N@@H+](C)CC)c2)C1 ZINC000879019065 1200808139 /nfs/dbraw/zinc/80/81/39/1200808139.db2.gz NJLRIKBVZANKQO-ROUUACIJSA-N 2 2 347.459 2.104 10 30 EEEELP C=CC[C@@H](C(=O)OC)[NH+]1CC[C@H](Oc2ccnc(C[N@H+](C)CC)c2)C1 ZINC000879019065 1200808151 /nfs/dbraw/zinc/80/81/51/1200808151.db2.gz NJLRIKBVZANKQO-ROUUACIJSA-N 2 2 347.459 2.104 10 30 EEEELP C=CC[C@@H](C(=O)OC)[N@@H+]1CC[C@H](Oc2ccnc(C[NH+](C)CC)c2)C1 ZINC000879019065 1200808160 /nfs/dbraw/zinc/80/81/60/1200808160.db2.gz NJLRIKBVZANKQO-ROUUACIJSA-N 2 2 347.459 2.104 10 30 EEEELP C=CC[C@@H](C(=O)OC)[N@H+]1CC[C@H](Oc2ccnc(C[NH+](C)CC)c2)C1 ZINC000879019065 1200808170 /nfs/dbraw/zinc/80/81/70/1200808170.db2.gz NJLRIKBVZANKQO-ROUUACIJSA-N 2 2 347.459 2.104 10 30 EEEELP CN(CC(C)(C)C[NH2+]CC#Cc1ccccc1)C(=O)Cc1c[nH+]c[nH]1 ZINC001275717673 1205496925 /nfs/dbraw/zinc/49/69/25/1205496925.db2.gz LMHFSSNQHRPGAW-UHFFFAOYSA-N 2 2 338.455 2.078 10 30 EEEELP C=C(CC[NH+](C)C)C(=O)N1CC[NH+](Cc2ccc(OCC)cc2)CC1 ZINC000900046396 1233989294 /nfs/dbraw/zinc/98/92/94/1233989294.db2.gz YRGPAPCZIYXGBU-UHFFFAOYSA-N 2 2 345.487 2.237 10 30 EEEELP C=CCCC[N@H+]1CC[C@]2(CCN(C(=O)CCc3[nH+]ccn3C)C2)C1 ZINC001277526058 1303822274 /nfs/dbraw/zinc/82/22/74/1303822274.db2.gz VVLYZFKDQYZYCG-IBGZPJMESA-N 2 2 330.476 2.243 10 30 EEEELP C=CCCC[N@@H+]1CC[C@]2(CCN(C(=O)CCc3[nH+]ccn3C)C2)C1 ZINC001277526058 1303822280 /nfs/dbraw/zinc/82/22/80/1303822280.db2.gz VVLYZFKDQYZYCG-IBGZPJMESA-N 2 2 330.476 2.243 10 30 EEEELP C=C(C)C[NH2+]C[C@H](C1CC1)N(C)C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001277646770 1304074978 /nfs/dbraw/zinc/07/49/78/1304074978.db2.gz KTFZTWMZJBCSBN-QGZVFWFLSA-N 2 2 330.476 2.165 10 30 EEEELP C#CCN(C(=O)[C@@H](CC)[NH+](C)C)C1CC[NH+](CC(=C)Cl)CC1 ZINC001278163385 1306144581 /nfs/dbraw/zinc/14/45/81/1306144581.db2.gz ITDZRFKXKJOXHC-MRXNPFEDSA-N 2 2 325.884 2.005 10 30 EEEELP C#CC[NH+]1CCC[C@H]1C(=O)Nc1cccc(CC[N@@H+](C)C2CC2)c1 ZINC001137891966 1314511652 /nfs/dbraw/zinc/51/16/52/1314511652.db2.gz JUGSVDPXCAKTDV-IBGZPJMESA-N 2 2 325.456 2.359 10 30 EEEELP C#CC[NH+]1CCC[C@H]1C(=O)Nc1cccc(CC[N@H+](C)C2CC2)c1 ZINC001137891966 1314511655 /nfs/dbraw/zinc/51/16/55/1314511655.db2.gz JUGSVDPXCAKTDV-IBGZPJMESA-N 2 2 325.456 2.359 10 30 EEEELP C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cccc(CC[NH+](C)C2CC2)c1 ZINC001137891966 1314511658 /nfs/dbraw/zinc/51/16/58/1314511658.db2.gz JUGSVDPXCAKTDV-IBGZPJMESA-N 2 2 325.456 2.359 10 30 EEEELP C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cccc(CC[NH+](C)C2CC2)c1 ZINC001137891966 1314511662 /nfs/dbraw/zinc/51/16/62/1314511662.db2.gz JUGSVDPXCAKTDV-IBGZPJMESA-N 2 2 325.456 2.359 10 30 EEEELP C=CCC[C@@H](C)[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001264425759 1322698513 /nfs/dbraw/zinc/69/85/13/1322698513.db2.gz FPYBWTKWAOXAJU-WCXIOVBPSA-N 2 2 330.476 2.285 10 30 EEEELP C=CCC[C@@H](C)[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001283051753 1325901487 /nfs/dbraw/zinc/90/14/87/1325901487.db2.gz DDRGTQQCUOXCMS-QBPKDAKJSA-N 2 2 330.476 2.285 10 30 EEEELP C#CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@H](CC(C)C)n3cc[nH+]c3)C2)C1 ZINC001323856907 1333558679 /nfs/dbraw/zinc/55/86/79/1333558679.db2.gz DRUYIPNTKUYMQI-PKOBYXMFSA-N 2 2 328.460 2.028 10 30 EEEELP C#CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H](CC(C)C)n3cc[nH+]c3)C2)C1 ZINC001323856907 1333558682 /nfs/dbraw/zinc/55/86/82/1333558682.db2.gz DRUYIPNTKUYMQI-PKOBYXMFSA-N 2 2 328.460 2.028 10 30 EEEELP C#CCN(C(=O)[C@H]1CCc2[nH+]ccn2C1)C1CC[NH+](CC(C)C)CC1 ZINC001324397586 1333674681 /nfs/dbraw/zinc/67/46/81/1333674681.db2.gz YBDWEQNBXWPDRL-KRWDZBQOSA-N 2 2 342.487 2.028 10 30 EEEELP C=CCC[NH2+]C[C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@@H]1C(F)(F)F ZINC001332459576 1335828865 /nfs/dbraw/zinc/82/88/65/1335828865.db2.gz MRLFENKOYUGUHY-KGLIPLIRSA-N 2 2 344.381 2.076 10 30 EEEELP CC(C)[NH+]1CCC(C(=O)N2CCC([N@H+](CC#N)CC3CC3)CC2)CC1 ZINC001569452020 1342872575 /nfs/dbraw/zinc/87/25/75/1342872575.db2.gz NZVBMJGKXVTTOX-UHFFFAOYSA-N 2 2 346.519 2.333 10 30 EEEELP CC(C)[NH+]1CCC(C(=O)N2CCC([N@@H+](CC#N)CC3CC3)CC2)CC1 ZINC001569452020 1342872579 /nfs/dbraw/zinc/87/25/79/1342872579.db2.gz NZVBMJGKXVTTOX-UHFFFAOYSA-N 2 2 346.519 2.333 10 30 EEEELP C#CCC[NH+]1CCC(C2(NC(=O)CCCn3cc[nH+]c3)CC2)CC1 ZINC001571670732 1343268337 /nfs/dbraw/zinc/26/83/37/1343268337.db2.gz YMXBDPSFXNEBKK-UHFFFAOYSA-N 2 2 328.460 2.047 10 30 EEEELP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH+](CC)CC=C(Cl)Cl ZINC001649436933 1353503496 /nfs/dbraw/zinc/50/34/96/1353503496.db2.gz JBUOLOFZPQQRIU-AWEZNQCLSA-N 2 2 346.302 2.231 10 30 EEEELP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH+](CC)CC=C(Cl)Cl ZINC001649436933 1353503493 /nfs/dbraw/zinc/50/34/93/1353503493.db2.gz JBUOLOFZPQQRIU-AWEZNQCLSA-N 2 2 346.302 2.231 10 30 EEEELP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[N@@H+](CC)CC=C(Cl)Cl ZINC001649436933 1353503490 /nfs/dbraw/zinc/50/34/90/1353503490.db2.gz JBUOLOFZPQQRIU-AWEZNQCLSA-N 2 2 346.302 2.231 10 30 EEEELP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[N@H+](CC)CC=C(Cl)Cl ZINC001649436933 1353503492 /nfs/dbraw/zinc/50/34/92/1353503492.db2.gz JBUOLOFZPQQRIU-AWEZNQCLSA-N 2 2 346.302 2.231 10 30 EEEELP C[C@@H](C[NH2+]CC#Cc1cccc(Cl)c1)NC(=O)CCc1c[nH]c[nH+]1 ZINC001669577191 1356178280 /nfs/dbraw/zinc/17/82/80/1356178280.db2.gz UZLDYCWHQVZIIQ-AWEZNQCLSA-N 2 2 344.846 2.142 10 30 EEEELP C=CCc1ccc(OC[C@H](O)C[N@@H+]2CCCCC[C@@H]([NH3+])C2)c(OC)c1 ZINC000923409696 789515477 /nfs/dbraw/zinc/51/54/77/789515477.db2.gz DNBCJBGXSHMIIG-QZTJIDSGSA-N 2 2 348.487 2.367 10 30 EEEELP C=CCc1ccc(OC[C@H](O)C[N@H+]2CCCCC[C@@H]([NH3+])C2)c(OC)c1 ZINC000923409696 789515483 /nfs/dbraw/zinc/51/54/83/789515483.db2.gz DNBCJBGXSHMIIG-QZTJIDSGSA-N 2 2 348.487 2.367 10 30 EEEELP N#Cc1ccc(C[N@H+]2CCCC[C@H]2CNC(=O)C[NH+]2CCCC2)s1 ZINC001480332924 1100094698 /nfs/dbraw/zinc/09/46/98/1100094698.db2.gz UTUISXZPVNJNTN-HNNXBMFYSA-N 2 2 346.500 2.186 10 30 EEEELP N#Cc1ccc(C[N@@H+]2CCCC[C@H]2CNC(=O)C[NH+]2CCCC2)s1 ZINC001480332924 1100094707 /nfs/dbraw/zinc/09/47/07/1100094707.db2.gz UTUISXZPVNJNTN-HNNXBMFYSA-N 2 2 346.500 2.186 10 30 EEEELP C[C@@H](NC(=O)Cc1c[nH]c[nH+]1)[C@@H](C)[NH2+]CC#Cc1ccccc1Cl ZINC001505699059 1114138236 /nfs/dbraw/zinc/13/82/36/1114138236.db2.gz UVBJQRPPIBJCQS-ZIAGYGMSSA-N 2 2 344.846 2.140 10 30 EEEELP CC#CC[NH2+]CCC[C@H](NC(=O)Cc1c[nH+]cn1C)c1ccccc1 ZINC001506979130 1115027972 /nfs/dbraw/zinc/02/79/72/1115027972.db2.gz LWOVJJHEEKMHGH-IBGZPJMESA-N 2 2 338.455 2.213 10 30 EEEELP C#CCC[NH2+]C1(CNC(=O)C(C)C)CC[NH+](Cc2ccccc2)CC1 ZINC001508093471 1115418414 /nfs/dbraw/zinc/41/84/14/1115418414.db2.gz VDJYCPSLSRMSBK-UHFFFAOYSA-N 2 2 341.499 2.406 10 30 EEEELP CC#CC[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001569166175 1125140104 /nfs/dbraw/zinc/14/01/04/1125140104.db2.gz SJQCLHIKNDITMO-SJORKVTESA-N 2 2 330.476 2.215 10 30 EEEELP COc1ccc(C[NH2+][C@H]2CCO[C@H](c3c[nH+]cn3C)C2)cc1C#N ZINC000275662345 201286547 /nfs/dbraw/zinc/28/65/47/201286547.db2.gz VCZMXUSLXVAMHR-YJBOKZPZSA-N 2 2 326.400 2.310 10 30 EEEELP N#Cc1cccc([N+](=O)[O-])c1C[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000459305058 245071853 /nfs/dbraw/zinc/07/18/53/245071853.db2.gz PVXPPXGTIKIXMQ-UHFFFAOYSA-N 2 2 344.415 2.011 10 30 EEEELP C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000195515906 464063342 /nfs/dbraw/zinc/06/33/42/464063342.db2.gz HTAIYYUDIKBBMD-IAGOWNOFSA-N 2 2 328.460 2.405 10 30 EEEELP C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000195515906 464063348 /nfs/dbraw/zinc/06/33/48/464063348.db2.gz HTAIYYUDIKBBMD-IAGOWNOFSA-N 2 2 328.460 2.405 10 30 EEEELP C[NH+]1CCN([C@@H]2CCCC[N@H+](Cc3cc(F)ccc3C#N)C2)CC1 ZINC000182904507 464754652 /nfs/dbraw/zinc/75/46/52/464754652.db2.gz ZJPFZBBGFKLPPP-LJQANCHMSA-N 2 2 330.451 2.299 10 30 EEEELP C[NH+]1CCN([C@@H]2CCCC[N@@H+](Cc3cc(F)ccc3C#N)C2)CC1 ZINC000182904507 464754656 /nfs/dbraw/zinc/75/46/56/464754656.db2.gz ZJPFZBBGFKLPPP-LJQANCHMSA-N 2 2 330.451 2.299 10 30 EEEELP C=C1C[C@H]2CC[C@@H](C1)N2C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000660713654 471458163 /nfs/dbraw/zinc/45/81/63/471458163.db2.gz UZSFCUPATJTMOQ-NXHRZFHOSA-N 2 2 332.492 2.048 10 30 EEEELP C=C1C[C@H]2CC[C@@H](C1)N2C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000660713654 471458164 /nfs/dbraw/zinc/45/81/64/471458164.db2.gz UZSFCUPATJTMOQ-NXHRZFHOSA-N 2 2 332.492 2.048 10 30 EEEELP O=C1[C@@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)CCCN1O ZINC000895158073 684146355 /nfs/dbraw/zinc/14/63/55/684146355.db2.gz HVBNBDKSDRYHLX-IRXDYDNUSA-N 2 2 329.444 2.153 10 30 EEEELP O=C1[C@@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)CCCN1O ZINC000895158073 684146357 /nfs/dbraw/zinc/14/63/57/684146357.db2.gz HVBNBDKSDRYHLX-IRXDYDNUSA-N 2 2 329.444 2.153 10 30 EEEELP C=CCC[C@@H](C)[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001691449878 1178844070 /nfs/dbraw/zinc/84/40/70/1178844070.db2.gz AFFHTCNULRFYME-VQHPVUNQSA-N 2 2 330.476 2.285 10 30 EEEELP C=CCOCC[N@@H+](C)CC1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1 ZINC001267759385 1180430503 /nfs/dbraw/zinc/43/05/03/1180430503.db2.gz YAMUUDNIEIVYLY-UHFFFAOYSA-N 2 2 348.491 2.060 10 30 EEEELP C=CCOCC[N@H+](C)CC1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1 ZINC001267759385 1180430509 /nfs/dbraw/zinc/43/05/09/1180430509.db2.gz YAMUUDNIEIVYLY-UHFFFAOYSA-N 2 2 348.491 2.060 10 30 EEEELP C=C(C)C[NH+]1CCC(CCNC(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC001482044210 1183215683 /nfs/dbraw/zinc/21/56/83/1183215683.db2.gz RMBBXYIMHSIMIX-QGZVFWFLSA-N 2 2 330.476 2.240 10 30 EEEELP C[C@@H](C[N@H+](C)CC#Cc1ccc(F)cc1)NC(=O)[C@H]1CCCC[NH+]1C ZINC001268736163 1183657533 /nfs/dbraw/zinc/65/75/33/1183657533.db2.gz QNRBXWWNHIXGDO-QFBILLFUSA-N 2 2 345.462 2.098 10 30 EEEELP C[C@@H](C[N@@H+](C)CC#Cc1ccc(F)cc1)NC(=O)[C@H]1CCCC[NH+]1C ZINC001268736163 1183657538 /nfs/dbraw/zinc/65/75/38/1183657538.db2.gz QNRBXWWNHIXGDO-QFBILLFUSA-N 2 2 345.462 2.098 10 30 EEEELP C[C@@H](C[NH+](C)CC#Cc1ccc(F)cc1)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001268736163 1183657545 /nfs/dbraw/zinc/65/75/45/1183657545.db2.gz QNRBXWWNHIXGDO-QFBILLFUSA-N 2 2 345.462 2.098 10 30 EEEELP C#CCN(C(=O)[C@H](C)Cc1c[nH]c[nH+]1)C1CC[NH+](CCC(=C)C)CC1 ZINC001270351215 1185038748 /nfs/dbraw/zinc/03/87/48/1185038748.db2.gz KXAOOBGRXUXKTK-QGZVFWFLSA-N 2 2 342.487 2.481 10 30 EEEELP C#CCN(C(=O)[C@H](C)Cc1c[nH+]c[nH]1)C1CC[NH+](CCC(=C)C)CC1 ZINC001270351215 1185038755 /nfs/dbraw/zinc/03/87/55/1185038755.db2.gz KXAOOBGRXUXKTK-QGZVFWFLSA-N 2 2 342.487 2.481 10 30 EEEELP C[C@H](CC(=O)N(C)[C@@H](C)C[NH2+]CC#Cc1ccccc1)n1cc[nH+]c1 ZINC001482336919 1185431987 /nfs/dbraw/zinc/43/19/87/1185431987.db2.gz FQSCPXBQOOHYJF-MSOLQXFVSA-N 2 2 338.455 2.322 10 30 EEEELP CC(C)C[C@@H](C[NH2+]Cc1ccc(C#N)s1)NC(=O)Cn1cc[nH+]c1 ZINC001482400179 1185618348 /nfs/dbraw/zinc/61/83/48/1185618348.db2.gz HDUPXPZWBJTTSC-AWEZNQCLSA-N 2 2 345.472 2.137 10 30 EEEELP C=C(C)CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001271101929 1185888542 /nfs/dbraw/zinc/88/85/42/1185888542.db2.gz WNMCSUMQAHSSNX-AWEZNQCLSA-N 2 2 340.418 2.002 10 30 EEEELP C=C(C)CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001271101929 1185888548 /nfs/dbraw/zinc/88/85/48/1185888548.db2.gz WNMCSUMQAHSSNX-AWEZNQCLSA-N 2 2 340.418 2.002 10 30 EEEELP C=C(C)C[N@@H+]1CCC(F)(F)[C@H](CNC(=O)CCCn2cc[nH+]c2)C1 ZINC001271109296 1185891282 /nfs/dbraw/zinc/89/12/82/1185891282.db2.gz IRDGJTHGKVUZFI-OAHLLOKOSA-N 2 2 340.418 2.313 10 30 EEEELP C=C(C)C[N@H+]1CCC(F)(F)[C@H](CNC(=O)CCCn2cc[nH+]c2)C1 ZINC001271109296 1185891293 /nfs/dbraw/zinc/89/12/93/1185891293.db2.gz IRDGJTHGKVUZFI-OAHLLOKOSA-N 2 2 340.418 2.313 10 30 EEEELP C#CCC[NH2+]C[C@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C[C@@H]1C ZINC001271650974 1186360610 /nfs/dbraw/zinc/36/06/10/1186360610.db2.gz ZYJGZAFVNWYSGR-WMZOPIPTSA-N 2 2 336.439 2.193 10 30 EEEELP C[C@H](CC[NH2+]Cc1ccccc1C#N)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001482842299 1187761468 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AJQHVEROPXTFEN-HDICACEKSA-N 2 2 344.418 2.465 10 30 EEEELP C=C(C)C[N@H+](C)C[C@@H]1CCCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001265391082 1323120777 /nfs/dbraw/zinc/12/07/77/1323120777.db2.gz SZCIMKHORKVQQK-IRXDYDNUSA-N 2 2 330.476 2.192 10 30 EEEELP C=C(C)C[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001265391082 1323120782 /nfs/dbraw/zinc/12/07/82/1323120782.db2.gz SZCIMKHORKVQQK-IRXDYDNUSA-N 2 2 330.476 2.192 10 30 EEEELP C=CCOCC[N@@H+]1C[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C(C)(C)C1 ZINC001276592849 1324683191 /nfs/dbraw/zinc/68/31/91/1324683191.db2.gz CBPRKNGPBAWMLA-KRWDZBQOSA-N 2 2 342.443 2.206 10 30 EEEELP C=CCOCC[N@H+]1C[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C(C)(C)C1 ZINC001276592849 1324683194 /nfs/dbraw/zinc/68/31/94/1324683194.db2.gz CBPRKNGPBAWMLA-KRWDZBQOSA-N 2 2 342.443 2.206 10 30 EEEELP C=CCC[NH2+][C@@H](CCN(C)C(=O)[C@@H]1CCc2c[nH+]cn2C1)C(C)C ZINC001282557722 1325740853 /nfs/dbraw/zinc/74/08/53/1325740853.db2.gz IOSBSIDJGMLIND-AEFFLSMTSA-N 2 2 332.492 2.484 10 30 EEEELP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CC/C=C\CCC)[C@@H]1C ZINC001316788129 1331893898 /nfs/dbraw/zinc/89/38/98/1331893898.db2.gz UQPDCSALLAVIMP-ZIGQXYKSSA-N 2 2 331.504 2.409 10 30 EEEELP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CC/C=C\CCC)[C@@H]1C ZINC001316788129 1331893901 /nfs/dbraw/zinc/89/39/01/1331893901.db2.gz UQPDCSALLAVIMP-ZIGQXYKSSA-N 2 2 331.504 2.409 10 30 EEEELP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CC/C=C\CCC)[C@@H]1C ZINC001316788129 1331893904 /nfs/dbraw/zinc/89/39/04/1331893904.db2.gz UQPDCSALLAVIMP-ZIGQXYKSSA-N 2 2 331.504 2.409 10 30 EEEELP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CC/C=C\CCC)[C@@H]1C ZINC001316788129 1331893908 /nfs/dbraw/zinc/89/39/08/1331893908.db2.gz UQPDCSALLAVIMP-ZIGQXYKSSA-N 2 2 331.504 2.409 10 30 EEEELP C#CCC[NH2+]C[C@@H](NC(=O)C(C)(C)n1c[nH+]c(C)c1)C1CCCC1 ZINC001324480273 1333691507 /nfs/dbraw/zinc/69/15/07/1333691507.db2.gz AEXMLZMOSBGOHI-QGZVFWFLSA-N 2 2 330.476 2.215 10 30 EEEELP 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PEQGVRBPBBRRJI-WMZOPIPTSA-N 2 2 337.508 2.033 10 30 EEEELP C#CC[NH+]1CCC([NH2+]C[C@H](O)Cc2ccc(C(F)(F)F)cc2)CC1 ZINC001335459375 1336378649 /nfs/dbraw/zinc/37/86/49/1336378649.db2.gz VDWDOTXOKNLUCM-QGZVFWFLSA-N 2 2 340.389 2.296 10 30 EEEELP CC#CC[N@@H+]1C[C@H](NC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C(C)(C)C1 ZINC001570897350 1343133729 /nfs/dbraw/zinc/13/37/29/1343133729.db2.gz PQDSEJIBDWWALE-SJORKVTESA-N 2 2 330.476 2.320 10 30 EEEELP CC#CC[N@H+]1C[C@H](NC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C(C)(C)C1 ZINC001570897350 1343133731 /nfs/dbraw/zinc/13/37/31/1343133731.db2.gz PQDSEJIBDWWALE-SJORKVTESA-N 2 2 330.476 2.320 10 30 EEEELP C=C(C[NH+](C)C)C(=O)N[C@@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC001631234508 1352579815 /nfs/dbraw/zinc/57/98/15/1352579815.db2.gz ROLPHVFKXSMPGX-SFHVURJKSA-N 2 2 326.444 2.475 10 30 EEEELP CC[N@@H+](CC#Cc1ccccc1)CCCNC(=O)CCn1cc[nH+]c1 ZINC001660567445 1354491478 /nfs/dbraw/zinc/49/14/78/1354491478.db2.gz XVJVWRGSVYBOTR-UHFFFAOYSA-N 2 2 338.455 2.153 10 30 EEEELP CC[N@H+](CC#Cc1ccccc1)CCCNC(=O)CCn1cc[nH+]c1 ZINC001660567445 1354491480 /nfs/dbraw/zinc/49/14/80/1354491480.db2.gz XVJVWRGSVYBOTR-UHFFFAOYSA-N 2 2 338.455 2.153 10 30 EEEELP C=CCCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001661258073 1354619323 /nfs/dbraw/zinc/61/93/23/1354619323.db2.gz VCHZDNMLSRJAGI-ZACQAIPSSA-N 2 2 328.460 2.087 10 30 EEEELP C=CCCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001661258073 1354619326 /nfs/dbraw/zinc/61/93/26/1354619326.db2.gz VCHZDNMLSRJAGI-ZACQAIPSSA-N 2 2 328.460 2.087 10 30 EEEELP C=CCOCC[N@@H+]1CCCC[C@H]1CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001661870996 1354714822 /nfs/dbraw/zinc/71/48/22/1354714822.db2.gz IXXDMDLOABMWRQ-INIZCTEOSA-N 2 2 342.443 2.350 10 30 EEEELP C=CCOCC[N@H+]1CCCC[C@H]1CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001661870996 1354714824 /nfs/dbraw/zinc/71/48/24/1354714824.db2.gz IXXDMDLOABMWRQ-INIZCTEOSA-N 2 2 342.443 2.350 10 30 EEEELP C#CCC[NH2+]C[C@]1(NC(=O)CCc2c[nH+]cn2C)CCCC[C@@H]1C ZINC001666067176 1355438408 /nfs/dbraw/zinc/43/84/08/1355438408.db2.gz CRVNYILDBWPTBA-QFBILLFUSA-N 2 2 330.476 2.031 10 30 EEEELP C=CCOCC[NH2+]C[C@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@@H]1C ZINC001672287731 1356494354 /nfs/dbraw/zinc/49/43/54/1356494354.db2.gz QBANCABGPBNEGB-HOCLYGCPSA-N 2 2 342.443 2.063 10 30 EEEELP C=C(C)C[N@H+]1CC[C@@H](NC(=O)Cc2c[nH+]ccc2OC)C(C)(C)C1 ZINC000940831070 779374676 /nfs/dbraw/zinc/37/46/76/779374676.db2.gz DNPIIJMPOWLKIX-QGZVFWFLSA-N 2 2 331.460 2.426 10 30 EEEELP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)Cc2c[nH+]ccc2OC)C(C)(C)C1 ZINC000940831070 779374680 /nfs/dbraw/zinc/37/46/80/779374680.db2.gz DNPIIJMPOWLKIX-QGZVFWFLSA-N 2 2 331.460 2.426 10 30 EEEELP CC#CC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C(C)(C)C1 ZINC000940837456 779387559 /nfs/dbraw/zinc/38/75/59/779387559.db2.gz UMXTVKSMHPOCEM-MRXNPFEDSA-N 2 2 330.476 2.167 10 30 EEEELP CC#CC[N@H+]1CC[C@@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C(C)(C)C1 ZINC000940837456 779387563 /nfs/dbraw/zinc/38/75/63/779387563.db2.gz UMXTVKSMHPOCEM-MRXNPFEDSA-N 2 2 330.476 2.167 10 30 EEEELP C=CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2COCC[NH+]2C2CCCC2)C(C)(C)C1 ZINC000940973944 779598397 /nfs/dbraw/zinc/59/83/97/779598397.db2.gz ZYOSWCZQUJJXJU-ROUUACIJSA-N 2 2 349.519 2.033 10 30 EEEELP C=CC[N@H+]1CC[C@H](NC(=O)[C@@H]2COCC[NH+]2C2CCCC2)C(C)(C)C1 ZINC000940973944 779598404 /nfs/dbraw/zinc/59/84/04/779598404.db2.gz ZYOSWCZQUJJXJU-ROUUACIJSA-N 2 2 349.519 2.033 10 30 EEEELP C=CC[NH+]1CC[C@H](NC(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)C(C)(C)C1 ZINC000940973944 779598413 /nfs/dbraw/zinc/59/84/13/779598413.db2.gz ZYOSWCZQUJJXJU-ROUUACIJSA-N 2 2 349.519 2.033 10 30 EEEELP C=CC[NH+]1CC[C@H](NC(=O)[C@@H]2COCC[N@H+]2C2CCCC2)C(C)(C)C1 ZINC000940973944 779598420 /nfs/dbraw/zinc/59/84/20/779598420.db2.gz ZYOSWCZQUJJXJU-ROUUACIJSA-N 2 2 349.519 2.033 10 30 EEEELP C=C(CC[NH+](C)C)C(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000907837127 784900615 /nfs/dbraw/zinc/90/06/15/784900615.db2.gz QTXVIFFGKIMEGN-UHFFFAOYSA-N 2 2 330.476 2.433 10 30 EEEELP C=C(Br)C[N@H+]1CCC[C@](C)(CNC(=O)CC[NH+](C)C)C1 ZINC001439943637 1093048563 /nfs/dbraw/zinc/04/85/63/1093048563.db2.gz UILWGSUWAPYDHH-OAHLLOKOSA-N 2 2 346.313 2.065 10 30 EEEELP C=C(Br)C[N@@H+]1CCC[C@](C)(CNC(=O)CC[NH+](C)C)C1 ZINC001439943637 1093048569 /nfs/dbraw/zinc/04/85/69/1093048569.db2.gz UILWGSUWAPYDHH-OAHLLOKOSA-N 2 2 346.313 2.065 10 30 EEEELP C=C(Cl)C[NH2+]C[C@@H](NC(=O)[C@@H]1CCn2cc[nH+]c2C1)C(C)(C)C ZINC001449308879 1094262550 /nfs/dbraw/zinc/26/25/50/1094262550.db2.gz MPJNOOSQHGLKHT-ZIAGYGMSSA-N 2 2 338.883 2.319 10 30 EEEELP CN(CCC[NH2+]CC#Cc1cccc(Cl)c1)C(=O)Cc1[nH]cc[nH+]1 ZINC001498634252 1107853657 /nfs/dbraw/zinc/85/36/57/1107853657.db2.gz XUNJEDDJMAJAHB-UHFFFAOYSA-N 2 2 344.846 2.095 10 30 EEEELP C#CCN(C(=O)Cc1c[nH+]cn1C)C1CC[NH+]([C@@H](C)CCC=C)CC1 ZINC001500054887 1112595244 /nfs/dbraw/zinc/59/52/44/1112595244.db2.gz XEVKRDYKLRONSW-KRWDZBQOSA-N 2 2 342.487 2.244 10 30 EEEELP C=CCCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1cc3c[nH+]ccc3[nH]1)CO2 ZINC001502460615 1113692858 /nfs/dbraw/zinc/69/28/58/1113692858.db2.gz ZXLHJCDCIINBTD-OAHLLOKOSA-N 2 2 340.427 2.102 10 30 EEEELP CC#CC[NH2+]C[C@@H]1CC[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001507410251 1115255688 /nfs/dbraw/zinc/25/56/88/1115255688.db2.gz PSUWUYIYMDBEQF-SJLPKXTDSA-N 2 2 336.439 2.384 10 30 EEEELP C=CC[NH2+]C[C@H](NC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1)C(C)(C)C ZINC001507950443 1115378770 /nfs/dbraw/zinc/37/87/70/1115378770.db2.gz YTAWHYLMAZTYND-CVEARBPZSA-N 2 2 333.480 2.097 10 30 EEEELP C=CC[NH2+]C[C@H](NC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1)C(C)(C)C ZINC001507950443 1115378771 /nfs/dbraw/zinc/37/87/71/1115378771.db2.gz YTAWHYLMAZTYND-CVEARBPZSA-N 2 2 333.480 2.097 10 30 EEEELP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2c(C#N)cccc2[N+](=O)[O-])C1 ZINC000459346891 276100506 /nfs/dbraw/zinc/10/05/06/276100506.db2.gz CGZPSEMODUCHSF-INIZCTEOSA-N 2 2 346.431 2.399 10 30 EEEELP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2c(C#N)cccc2[N+](=O)[O-])C1 ZINC000459346891 276100507 /nfs/dbraw/zinc/10/05/07/276100507.db2.gz CGZPSEMODUCHSF-INIZCTEOSA-N 2 2 346.431 2.399 10 30 EEEELP CN1CC[N@H+](C)C[C@@H]1C[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000271051959 464277961 /nfs/dbraw/zinc/27/79/61/464277961.db2.gz ATHTZJATNJBHHA-GPJFCIFZSA-N 2 2 326.488 2.226 10 30 EEEELP CN1CC[N@@H+](C)C[C@@H]1C[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000271051959 464277963 /nfs/dbraw/zinc/27/79/63/464277963.db2.gz ATHTZJATNJBHHA-GPJFCIFZSA-N 2 2 326.488 2.226 10 30 EEEELP N#CC1(c2ccc(C[NH+]3CCC([N@@H+]4CC[C@@H](O)C4)CC3)cc2)CC1 ZINC000597237075 468491178 /nfs/dbraw/zinc/49/11/78/468491178.db2.gz WQXIXISGEPSLOH-LJQANCHMSA-N 2 2 325.456 2.273 10 30 EEEELP N#CC1(c2ccc(C[NH+]3CCC([N@H+]4CC[C@@H](O)C4)CC3)cc2)CC1 ZINC000597237075 468491180 /nfs/dbraw/zinc/49/11/80/468491180.db2.gz WQXIXISGEPSLOH-LJQANCHMSA-N 2 2 325.456 2.273 10 30 EEEELP C[C@H](CC#N)C(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000597438154 468555540 /nfs/dbraw/zinc/55/55/40/468555540.db2.gz QPCVSPDVAGUHJY-KBAYOESNSA-N 2 2 334.508 2.332 10 30 EEEELP C[C@H](CC#N)C(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000597438154 468555542 /nfs/dbraw/zinc/55/55/42/468555542.db2.gz QPCVSPDVAGUHJY-KBAYOESNSA-N 2 2 334.508 2.332 10 30 EEEELP C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)[C@@H]([NH3+])CCCCC#N)CC1 ZINC000594447165 468592461 /nfs/dbraw/zinc/59/24/61/468592461.db2.gz ULRQZUONILXZGS-HOCLYGCPSA-N 2 2 334.489 2.365 10 30 EEEELP C[NH+](C)CCC[C@H]1C[N@H+](Cc2cn3ccccc3c2C#N)CCO1 ZINC000595905221 469075504 /nfs/dbraw/zinc/07/55/04/469075504.db2.gz AIAAKECKLMRCGO-KRWDZBQOSA-N 2 2 326.444 2.354 10 30 EEEELP C[NH+](C)CCC[C@H]1C[N@@H+](Cc2cn3ccccc3c2C#N)CCO1 ZINC000595905221 469075510 /nfs/dbraw/zinc/07/55/10/469075510.db2.gz AIAAKECKLMRCGO-KRWDZBQOSA-N 2 2 326.444 2.354 10 30 EEEELP C=CC(C)(C)CCNC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000637322272 470687821 /nfs/dbraw/zinc/68/78/21/470687821.db2.gz VCDQYEBWFQJGDK-QGZVFWFLSA-N 2 2 336.524 2.399 10 30 EEEELP C=CC(C)(C)CCNC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000637322272 470687825 /nfs/dbraw/zinc/68/78/25/470687825.db2.gz VCDQYEBWFQJGDK-QGZVFWFLSA-N 2 2 336.524 2.399 10 30 EEEELP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCC[C@@H]2c2ccc(C)c(C)c2)CC1 ZINC000748813526 577967158 /nfs/dbraw/zinc/96/71/58/577967158.db2.gz MPYRQYPQOFLYKQ-HXUWFJFHSA-N 2 2 339.483 2.218 10 30 EEEELP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@@H]2c2ccc(C)c(C)c2)CC1 ZINC000748813526 577967159 /nfs/dbraw/zinc/96/71/59/577967159.db2.gz MPYRQYPQOFLYKQ-HXUWFJFHSA-N 2 2 339.483 2.218 10 30 EEEELP C#CC[NH+]1CCN(C(=O)C[N@H+]2CC[C@H](C)C[C@@H]2c2ccc(C)o2)CC1 ZINC000748823839 577967636 /nfs/dbraw/zinc/96/76/36/577967636.db2.gz YGIOTYPYKMVWOK-FUHWJXTLSA-N 2 2 343.471 2.138 10 30 EEEELP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CC[C@H](C)C[C@@H]2c2ccc(C)o2)CC1 ZINC000748823839 577967637 /nfs/dbraw/zinc/96/76/37/577967637.db2.gz YGIOTYPYKMVWOK-FUHWJXTLSA-N 2 2 343.471 2.138 10 30 EEEELP CC[C@@H]([NH2+]C[C@@H](C)N1CC[NH+](CC)CC1)c1cccc(C#N)c1O ZINC000924674158 693138127 /nfs/dbraw/zinc/13/81/27/693138127.db2.gz YHTZWEUIOSOSML-CRAIPNDOSA-N 2 2 330.476 2.331 10 30 EEEELP C=CC[NH2+]C[C@]1(NC(=O)Cc2c[nH+]ccc2OC)CCCC[C@H]1C ZINC001267870827 1180660336 /nfs/dbraw/zinc/66/03/36/1180660336.db2.gz RAHRDQLZRILHPK-DNVCBOLYSA-N 2 2 331.460 2.473 10 30 EEEELP C=CCC[NH2+]C[C@@H](NC(=O)[C@H]1CCc2c[nH+]cn2C1)C1CCCC1 ZINC001270415279 1185089628 /nfs/dbraw/zinc/08/96/28/1185089628.db2.gz RYZPFOCMJGBIRB-FUHWJXTLSA-N 2 2 330.476 2.286 10 30 EEEELP C[C@H](CN(C)C(=O)C[C@H](C)n1cc[nH+]c1)[NH2+]Cc1ccc(C#N)cc1 ZINC001485927784 1193643099 /nfs/dbraw/zinc/64/30/99/1193643099.db2.gz CUJZMFKNTQTKBD-CVEARBPZSA-N 2 2 339.443 2.343 10 30 EEEELP C=C(C)C[N@H+]1CCC[C@](C)(CNC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001484164285 1191246382 /nfs/dbraw/zinc/24/63/82/1191246382.db2.gz UEGTUHXSAGKTLQ-GOSISDBHSA-N 2 2 334.464 2.144 10 30 EEEELP C=C(C)C[N@@H+]1CCC[C@](C)(CNC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001484164285 1191246384 /nfs/dbraw/zinc/24/63/84/1191246384.db2.gz UEGTUHXSAGKTLQ-GOSISDBHSA-N 2 2 334.464 2.144 10 30 EEEELP C#CC[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC001275808672 1205544192 /nfs/dbraw/zinc/54/41/92/1205544192.db2.gz XCUZLHBIGICWKF-FUHWJXTLSA-N 2 2 338.455 2.083 10 30 EEEELP C=CCc1cc(C[NH2+][C@H]2C[NH2+]CC3(CCOCC3)C2)cc(OC)c1O ZINC000903973192 1242807208 /nfs/dbraw/zinc/80/72/08/1242807208.db2.gz AYIKMXVHLFVRBD-QGZVFWFLSA-N 2 2 346.471 2.378 10 30 EEEELP N#CC[N@H+](CC1CC1)C1CCN(C(=O)CC[NH+]2CCCCC2)CC1 ZINC001277398035 1302849501 /nfs/dbraw/zinc/84/95/01/1302849501.db2.gz AYIPDVXHKYGUFK-UHFFFAOYSA-N 2 2 332.492 2.089 10 30 EEEELP N#CC[N@@H+](CC1CC1)C1CCN(C(=O)CC[NH+]2CCCCC2)CC1 ZINC001277398035 1302849511 /nfs/dbraw/zinc/84/95/11/1302849511.db2.gz AYIPDVXHKYGUFK-UHFFFAOYSA-N 2 2 332.492 2.089 10 30 EEEELP C=C(C)C[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)CCCn3cc[nH+]c3)C[C@H]21 ZINC001278494316 1310751044 /nfs/dbraw/zinc/75/10/44/1310751044.db2.gz OMKWTCJWVDNASW-KZNAEPCWSA-N 2 2 330.476 2.456 10 30 EEEELP C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C[C@@H]2C1 ZINC001264646808 1322765952 /nfs/dbraw/zinc/76/59/52/1322765952.db2.gz WYLSTVSMPBZZGJ-YYIAUSFCSA-N 2 2 328.460 2.260 10 30 EEEELP C=CCCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C[C@@H]2C1 ZINC001264646808 1322765958 /nfs/dbraw/zinc/76/59/58/1322765958.db2.gz WYLSTVSMPBZZGJ-YYIAUSFCSA-N 2 2 328.460 2.260 10 30 EEEELP C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C[C@@H]2C1 ZINC001264646808 1322765963 /nfs/dbraw/zinc/76/59/63/1322765963.db2.gz WYLSTVSMPBZZGJ-YYIAUSFCSA-N 2 2 328.460 2.260 10 30 EEEELP C=CCCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C[C@@H]2C1 ZINC001264646808 1322765968 /nfs/dbraw/zinc/76/59/68/1322765968.db2.gz WYLSTVSMPBZZGJ-YYIAUSFCSA-N 2 2 328.460 2.260 10 30 EEEELP CC#CC[NH2+][C@H](CCN(C)C(=O)C(C)(C)n1c[nH+]c(C)c1)C(C)C ZINC001282557296 1325740776 /nfs/dbraw/zinc/74/07/76/1325740776.db2.gz BZRHZXQUOZGUGG-QGZVFWFLSA-N 2 2 332.492 2.413 10 30 EEEELP C=CCCC[N@@H+](C)C1CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC001283317633 1326005559 /nfs/dbraw/zinc/00/55/59/1326005559.db2.gz QUOZPOWFAXEFAC-INIZCTEOSA-N 2 2 330.476 2.335 10 30 EEEELP C=CCCC[N@H+](C)C1CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC001283317633 1326005561 /nfs/dbraw/zinc/00/55/61/1326005561.db2.gz QUOZPOWFAXEFAC-INIZCTEOSA-N 2 2 330.476 2.335 10 30 EEEELP C=CCCC[NH2+][C@H]1CN(C(=O)[C@H]2CCn3c[nH+]cc3C2)CC1(C)C ZINC001284292508 1326491525 /nfs/dbraw/zinc/49/15/25/1326491525.db2.gz GVHNIVBAFNJGCS-RDJZCZTQSA-N 2 2 330.476 2.238 10 30 EEEELP C#CCC[NH+]1CCC2(C[C@@H](C)N(C(=O)CCCn3cc[nH+]c3)C2)CC1 ZINC001316668954 1330254212 /nfs/dbraw/zinc/25/42/12/1330254212.db2.gz KQROOVNSGFUMEW-GOSISDBHSA-N 2 2 342.487 2.390 10 30 EEEELP C[C@H](CCNC(=O)Cn1cc[nH+]c1)[NH2+]CC#Cc1cccc(Cl)c1 ZINC001317417609 1332221405 /nfs/dbraw/zinc/22/14/05/1332221405.db2.gz NEBDRULCOXGCKZ-OAHLLOKOSA-N 2 2 344.846 2.073 10 30 EEEELP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](C)[C@H](C)c1ccc(F)cc1F ZINC001317450578 1332247554 /nfs/dbraw/zinc/24/75/54/1332247554.db2.gz VQGUCDBEGAUZMH-KDOFPFPSSA-N 2 2 349.425 2.171 10 30 EEEELP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@H+](C)[C@H](C)c1ccc(F)cc1F ZINC001317450578 1332247556 /nfs/dbraw/zinc/24/75/56/1332247556.db2.gz VQGUCDBEGAUZMH-KDOFPFPSSA-N 2 2 349.425 2.171 10 30 EEEELP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH+](C)[C@H](C)c1ccc(F)cc1F ZINC001317450578 1332247557 /nfs/dbraw/zinc/24/75/57/1332247557.db2.gz VQGUCDBEGAUZMH-KDOFPFPSSA-N 2 2 349.425 2.171 10 30 EEEELP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](C)[C@H](C)c1ccc(F)cc1F ZINC001317450578 1332247559 /nfs/dbraw/zinc/24/75/59/1332247559.db2.gz VQGUCDBEGAUZMH-KDOFPFPSSA-N 2 2 349.425 2.171 10 30 EEEELP CC#CC[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001319849579 1332783530 /nfs/dbraw/zinc/78/35/30/1332783530.db2.gz PLCLNBUWHONANE-FUHWJXTLSA-N 2 2 342.487 2.002 10 30 EEEELP CCN(CC[NH2+]CC#Cc1ccc(Cl)cc1)C(=O)Cc1[nH]cc[nH+]1 ZINC001320876333 1332969448 /nfs/dbraw/zinc/96/94/48/1332969448.db2.gz MAKFYRVLWUTIQH-UHFFFAOYSA-N 2 2 344.846 2.095 10 30 EEEELP C=CCCC[N@@H+]1CC[C@H](C2CCN(C(=O)Cn3cc[nH+]c3)CC2)C1 ZINC001323639144 1333505609 /nfs/dbraw/zinc/50/56/09/1333505609.db2.gz XRLXYTIWTKTRKY-SFHVURJKSA-N 2 2 330.476 2.410 10 30 EEEELP C=CCCC[N@H+]1CC[C@H](C2CCN(C(=O)Cn3cc[nH+]c3)CC2)C1 ZINC001323639144 1333505614 /nfs/dbraw/zinc/50/56/14/1333505614.db2.gz XRLXYTIWTKTRKY-SFHVURJKSA-N 2 2 330.476 2.410 10 30 EEEELP C=C(C)C[NH2+][C@H](CCN(C)C(=O)[C@@H]1CCc2c[nH+]cn2C1)C(C)C ZINC001329742657 1334706523 /nfs/dbraw/zinc/70/65/23/1334706523.db2.gz OYRUXHQCALZDLU-SJLPKXTDSA-N 2 2 332.492 2.484 10 30 EEEELP C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)CC[N@@H+](C)C1CCCCC1)O2 ZINC001570234678 1343039119 /nfs/dbraw/zinc/03/91/19/1343039119.db2.gz XLJJOXPHHAMJAZ-SFHVURJKSA-N 2 2 349.519 2.177 10 30 EEEELP C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)CC[N@H+](C)C1CCCCC1)O2 ZINC001570234678 1343039124 /nfs/dbraw/zinc/03/91/24/1343039124.db2.gz XLJJOXPHHAMJAZ-SFHVURJKSA-N 2 2 349.519 2.177 10 30 EEEELP C=CCC[C@@H](C)[NH2+][C@H]1C[C@@H](NC(=O)c2cc([C@@H]3CCC[N@@H+]3C)n[nH]2)C1 ZINC001661602186 1354663996 /nfs/dbraw/zinc/66/39/96/1354663996.db2.gz UWZMIZHBVRWOII-BSXFFOKHSA-N 2 2 345.491 2.382 10 30 EEEELP C=CCC[C@@H](C)[NH2+][C@H]1C[C@@H](NC(=O)c2cc([C@@H]3CCC[N@H+]3C)n[nH]2)C1 ZINC001661602186 1354664000 /nfs/dbraw/zinc/66/40/00/1354664000.db2.gz UWZMIZHBVRWOII-BSXFFOKHSA-N 2 2 345.491 2.382 10 30 EEEELP C=C(Cl)C[N@@H+](CCCNC(=O)[C@H]1CCc2[nH+]ccn2C1)C(C)C ZINC001664516624 1355184558 /nfs/dbraw/zinc/18/45/58/1355184558.db2.gz IIQAVPQXNLDCDB-HNNXBMFYSA-N 2 2 338.883 2.415 10 30 EEEELP C=C(Cl)C[N@H+](CCCNC(=O)[C@H]1CCc2[nH+]ccn2C1)C(C)C ZINC001664516624 1355184562 /nfs/dbraw/zinc/18/45/62/1355184562.db2.gz IIQAVPQXNLDCDB-HNNXBMFYSA-N 2 2 338.883 2.415 10 30 EEEELP C=CCOCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001672539305 1356550665 /nfs/dbraw/zinc/55/06/65/1356550665.db2.gz YHBYQVGLEJRADF-RCCFBDPRSA-N 2 2 346.475 2.102 10 30 EEEELP C=CCOCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001672539305 1356550667 /nfs/dbraw/zinc/55/06/67/1356550667.db2.gz YHBYQVGLEJRADF-RCCFBDPRSA-N 2 2 346.475 2.102 10 30 EEEELP CCCCCCC[NH+]1CC2(C1)CN(C(=O)C[N@H+](C)C(C)C)CCO2 ZINC001673522817 1356703069 /nfs/dbraw/zinc/70/30/69/1356703069.db2.gz UODVDOUFLTWJKR-UHFFFAOYSA-N 2 2 339.524 2.210 10 30 EEEELP CCCCCCC[NH+]1CC2(C1)CN(C(=O)C[N@@H+](C)C(C)C)CCO2 ZINC001673522817 1356703075 /nfs/dbraw/zinc/70/30/75/1356703075.db2.gz UODVDOUFLTWJKR-UHFFFAOYSA-N 2 2 339.524 2.210 10 30 EEEELP C#CCC[NH2+]C1(CNC(=O)Cc2cn3cccc(C)c3[nH+]2)CCCC1 ZINC001698804755 1405077043 /nfs/dbraw/zinc/07/70/43/1405077043.db2.gz XRDYPAXPMHPGBA-UHFFFAOYSA-N 2 2 338.455 2.227 10 30 EEEELP COCC#CC[NH2+][C@@H](C)[C@H]1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001699943231 1405591833 /nfs/dbraw/zinc/59/18/33/1405591833.db2.gz GYNGIWWBFXCEDU-WMZOPIPTSA-N 2 2 343.471 2.097 10 30 EEEELP C=C(Br)C[NH2+][C@@H](C)[C@H](C)NC(=O)CCCn1cc[nH+]c1 ZINC001440852260 1094111462 /nfs/dbraw/zinc/11/14/62/1094111462.db2.gz OZSRMFXAROKCAU-STQMWFEESA-N 2 2 343.269 2.055 10 30 EEEELP COCC#CC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)c1c(C)cc(C)[nH+]c1C ZINC001496894181 1101679918 /nfs/dbraw/zinc/67/99/18/1101679918.db2.gz HVEKSIJXKDFTEX-ZWKOTPCHSA-N 2 2 343.471 2.145 10 30 EEEELP C=C(C)CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001494140322 1103589810 /nfs/dbraw/zinc/58/98/10/1103589810.db2.gz HJDDJWCMCNUBDH-SJORKVTESA-N 2 2 330.476 2.192 10 30 EEEELP C=C(C)CC[N@H+](C)C[C@H]1CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001494140322 1103589823 /nfs/dbraw/zinc/58/98/23/1103589823.db2.gz HJDDJWCMCNUBDH-SJORKVTESA-N 2 2 330.476 2.192 10 30 EEEELP C=CCC[C@H](C)[N@H+](C)C[C@H]1CCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC001494147406 1103603357 /nfs/dbraw/zinc/60/33/57/1103603357.db2.gz MCKLJYUPFDCPPD-DLBZAZTESA-N 2 2 332.492 2.488 10 30 EEEELP C=CCC[C@H](C)[N@@H+](C)C[C@H]1CCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC001494147406 1103603364 /nfs/dbraw/zinc/60/33/64/1103603364.db2.gz MCKLJYUPFDCPPD-DLBZAZTESA-N 2 2 332.492 2.488 10 30 EEEELP C=CC[NH2+]C[C@@H](NC(=O)Cc1cn2c([nH+]1)CCCC2)C1CCCC1 ZINC001500087533 1112611508 /nfs/dbraw/zinc/61/15/08/1112611508.db2.gz BNBYWXQHBVJGGS-QGZVFWFLSA-N 2 2 330.476 2.213 10 30 EEEELP C=CCC[C@H](C)[NH2+]C[C@H]1CN(C(=O)c2cccc3[nH+]ccn32)CCO1 ZINC001502065024 1113575252 /nfs/dbraw/zinc/57/52/52/1113575252.db2.gz WRDZNUYQBHRGII-HOTGVXAUSA-N 2 2 342.443 2.120 10 30 EEEELP C=CCC[C@@H](C)[NH+]1CC2(C1)CN(C(=O)C[C@@H](C)n1cc[nH+]c1)CCO2 ZINC001502419944 1113675897 /nfs/dbraw/zinc/67/58/97/1113675897.db2.gz IUAXLHKLIXQDKV-IAGOWNOFSA-N 2 2 346.475 2.102 10 30 EEEELP CC#CC[NH2+]C[C@H](C1CC1)N(C)C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001507017560 1115056397 /nfs/dbraw/zinc/05/63/97/1115056397.db2.gz KQOKGJAALSNFRG-LJQANCHMSA-N 2 2 336.439 2.336 10 30 EEEELP CC#CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001507017557 1115056788 /nfs/dbraw/zinc/05/67/88/1115056788.db2.gz KQOKGJAALSNFRG-IBGZPJMESA-N 2 2 336.439 2.336 10 30 EEEELP C[C@@H](CC[NH2+]CC#Cc1ccc(Cl)cc1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001568682571 1124694798 /nfs/dbraw/zinc/69/47/98/1124694798.db2.gz NFHBOSOAEYTYSY-AWEZNQCLSA-N 2 2 344.846 2.142 10 30 EEEELP C[C@@H](CC(=O)NC/C=C/C[NH2+]Cc1ccc(C#N)cc1)n1cc[nH+]c1 ZINC001568926812 1124956125 /nfs/dbraw/zinc/95/61/25/1124956125.db2.gz JZJZIERQQPQIOW-KZSQQDEKSA-N 2 2 337.427 2.168 10 30 EEEELP CN(C)c1[nH+]cc(C[NH+]2CCC(Oc3ccc(C#N)cc3)CC2)n1C ZINC000425341407 241131814 /nfs/dbraw/zinc/13/18/14/241131814.db2.gz XGVOLVWDSPIYRD-UHFFFAOYSA-N 2 2 339.443 2.401 10 30 EEEELP C[N@H+]1CCCN(C([O-])=[NH+][C@@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)CC1 ZINC000329303534 465293408 /nfs/dbraw/zinc/29/34/08/465293408.db2.gz WXINSCGQERHJCJ-CQSZACIVSA-N 2 2 333.480 2.047 10 30 EEEELP CCN(CCC#N)C(=O)C[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000112731338 463706435 /nfs/dbraw/zinc/70/64/35/463706435.db2.gz UHYIINZZGUXGHA-SFHVURJKSA-N 2 2 334.508 2.337 10 30 EEEELP CCN(CCC#N)C(=O)C[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000112731338 463706436 /nfs/dbraw/zinc/70/64/36/463706436.db2.gz UHYIINZZGUXGHA-SFHVURJKSA-N 2 2 334.508 2.337 10 30 EEEELP CC(C)[N@H+]1CCC[C@@H](C[NH2+]CCS(=O)(=O)c2cccc(C#N)c2)C1 ZINC000514856239 467958501 /nfs/dbraw/zinc/95/85/01/467958501.db2.gz WOQMIDGOOMKAOS-KRWDZBQOSA-N 2 2 349.500 2.042 10 30 EEEELP N#CCCCC[C@H]([NH3+])C(=O)N1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000594437007 468586562 /nfs/dbraw/zinc/58/65/62/468586562.db2.gz SAJHODMRYINSEF-KRWDZBQOSA-N 2 2 348.878 2.395 10 30 EEEELP C[N@H+](Cc1ccnc(C#N)c1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000610994681 469134055 /nfs/dbraw/zinc/13/40/55/469134055.db2.gz MWUODSZQZDXULJ-UHFFFAOYSA-N 2 2 335.455 2.487 10 30 EEEELP C[N@@H+](Cc1ccnc(C#N)c1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000610994681 469134061 /nfs/dbraw/zinc/13/40/61/469134061.db2.gz MWUODSZQZDXULJ-UHFFFAOYSA-N 2 2 335.455 2.487 10 30 EEEELP C=CC[C@@H]1CC[C@@H]([NH2+]CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000651692539 471085335 /nfs/dbraw/zinc/08/53/35/471085335.db2.gz JEWIZHGNQRGDSD-QZTJIDSGSA-N 2 2 342.487 2.455 10 30 EEEELP C=CCOc1ccccc1C[NH+]1CCN(C(=O)C[NH+](CC)CC)CC1 ZINC000093045654 526930974 /nfs/dbraw/zinc/93/09/74/526930974.db2.gz YUVQIWIXSGORNR-UHFFFAOYSA-N 2 2 345.487 2.237 10 30 EEEELP CC[C@H]([NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)c1cccc(C#N)c1O ZINC000925042096 682665625 /nfs/dbraw/zinc/66/56/25/682665625.db2.gz RSCJUZYGTXOBOJ-LPHOPBHVSA-N 2 2 342.487 2.473 10 30 EEEELP C#CCC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001772513765 1176482074 /nfs/dbraw/zinc/48/20/74/1176482074.db2.gz SPENAMLWSPXLHH-SJLPKXTDSA-N 2 2 338.455 2.496 10 30 EEEELP C=C(C)CC[NH+](CCNC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1)C1CC1 ZINC001266591942 1176902980 /nfs/dbraw/zinc/90/29/80/1176902980.db2.gz CLGXRHNTTQHXSK-SFHVURJKSA-N 2 2 345.491 2.337 10 30 EEEELP C=C(C)CC[NH+](CCNC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1)C1CC1 ZINC001266591942 1176902987 /nfs/dbraw/zinc/90/29/87/1176902987.db2.gz CLGXRHNTTQHXSK-SFHVURJKSA-N 2 2 345.491 2.337 10 30 EEEELP C=C(C)CC[N@@H+](CCNC(=O)c1cc([C@@H]2CCC[NH+]2C)n[nH]1)C1CC1 ZINC001266591942 1176902993 /nfs/dbraw/zinc/90/29/93/1176902993.db2.gz CLGXRHNTTQHXSK-SFHVURJKSA-N 2 2 345.491 2.337 10 30 EEEELP C=C(C)CC[N@H+](CCNC(=O)c1cc([C@@H]2CCC[NH+]2C)n[nH]1)C1CC1 ZINC001266591942 1176903000 /nfs/dbraw/zinc/90/30/00/1176903000.db2.gz CLGXRHNTTQHXSK-SFHVURJKSA-N 2 2 345.491 2.337 10 30 EEEELP C=CCC[NH2+][C@@H](C)C1CCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC001267488759 1179157610 /nfs/dbraw/zinc/15/76/10/1179157610.db2.gz NNXBDKAHYXNWCQ-RDJZCZTQSA-N 2 2 330.476 2.238 10 30 EEEELP CCN(CC[NH2+]Cc1cccc(C#N)c1)C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001268484460 1182954797 /nfs/dbraw/zinc/95/47/97/1182954797.db2.gz GCMIWSCIXWZKPJ-OAHLLOKOSA-N 2 2 339.443 2.098 10 30 EEEELP CCN(CC[NH2+]Cc1cccc(C#N)c1)C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001268484460 1182954804 /nfs/dbraw/zinc/95/48/04/1182954804.db2.gz GCMIWSCIXWZKPJ-OAHLLOKOSA-N 2 2 339.443 2.098 10 30 EEEELP C=C(C)CC[N@@H+](C)C[C@@H](C)NC(=O)c1cc([C@H]2CCC[NH+]2C)n[nH]1 ZINC001268730688 1183647726 /nfs/dbraw/zinc/64/77/26/1183647726.db2.gz JKPKPAOOCCXKQE-RHSMWYFYSA-N 2 2 333.480 2.193 10 30 EEEELP C=C(C)CC[N@H+](C)C[C@@H](C)NC(=O)c1cc([C@H]2CCC[NH+]2C)n[nH]1 ZINC001268730688 1183647731 /nfs/dbraw/zinc/64/77/31/1183647731.db2.gz JKPKPAOOCCXKQE-RHSMWYFYSA-N 2 2 333.480 2.193 10 30 EEEELP C=C(C)CC[NH+](C)C[C@@H](C)NC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1 ZINC001268730688 1183647736 /nfs/dbraw/zinc/64/77/36/1183647736.db2.gz JKPKPAOOCCXKQE-RHSMWYFYSA-N 2 2 333.480 2.193 10 30 EEEELP C=C(C)CC[NH+](C)C[C@@H](C)NC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1 ZINC001268730688 1183647739 /nfs/dbraw/zinc/64/77/39/1183647739.db2.gz JKPKPAOOCCXKQE-RHSMWYFYSA-N 2 2 333.480 2.193 10 30 EEEELP C=CCC[C@@H](C)[NH+]1CC(N(C)C(=O)[C@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC001269838666 1184657627 /nfs/dbraw/zinc/65/76/27/1184657627.db2.gz HXZUHBMUSSNXNM-VQIMIIECSA-N 2 2 349.519 2.127 10 30 EEEELP C=CCC[C@@H](C)[NH+]1CC(N(C)C(=O)[C@H]2COCC[N@H+]2C2CCCC2)C1 ZINC001269838666 1184657634 /nfs/dbraw/zinc/65/76/34/1184657634.db2.gz HXZUHBMUSSNXNM-VQIMIIECSA-N 2 2 349.519 2.127 10 30 EEEELP C#CCN(C(=O)Cn1cc[nH+]c1)C1CC[NH+](CC2CCCCC2)CC1 ZINC001270368646 1185052475 /nfs/dbraw/zinc/05/24/75/1185052475.db2.gz GYLMGDMEWUFIBW-UHFFFAOYSA-N 2 2 342.487 2.390 10 30 EEEELP C=CCCC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC001482325115 1185383135 /nfs/dbraw/zinc/38/31/35/1185383135.db2.gz UQKBFSOYOVDVHC-AEFFLSMTSA-N 2 2 337.508 2.033 10 30 EEEELP C=CCCC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC001482325115 1185383142 /nfs/dbraw/zinc/38/31/42/1185383142.db2.gz UQKBFSOYOVDVHC-AEFFLSMTSA-N 2 2 337.508 2.033 10 30 EEEELP C=CC[NH+]1CCC[C@@](C)(CNC(=O)[C@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC001270981875 1185789106 /nfs/dbraw/zinc/78/91/06/1185789106.db2.gz DBAYNUJZXWHPRZ-QUCCMNQESA-N 2 2 349.519 2.034 10 30 EEEELP C=CC[NH+]1CCC[C@@](C)(CNC(=O)[C@H]2COCC[N@H+]2C2CCCC2)C1 ZINC001270981875 1185789109 /nfs/dbraw/zinc/78/91/09/1185789109.db2.gz DBAYNUJZXWHPRZ-QUCCMNQESA-N 2 2 349.519 2.034 10 30 EEEELP C=CC[N@H+]1CCC[C@@](C)(CNC(=O)[C@H]2COCC[NH+]2C2CCCC2)C1 ZINC001270981875 1185789113 /nfs/dbraw/zinc/78/91/13/1185789113.db2.gz DBAYNUJZXWHPRZ-QUCCMNQESA-N 2 2 349.519 2.034 10 30 EEEELP C=CC[N@@H+]1CCC[C@@](C)(CNC(=O)[C@H]2COCC[NH+]2C2CCCC2)C1 ZINC001270981875 1185789116 /nfs/dbraw/zinc/78/91/16/1185789116.db2.gz DBAYNUJZXWHPRZ-QUCCMNQESA-N 2 2 349.519 2.034 10 30 EEEELP C#CCC[NH2+]C[C@@H](NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C1CCCCC1 ZINC001271334777 1186146049 /nfs/dbraw/zinc/14/60/49/1186146049.db2.gz MPHLYALTGAQLHT-BRWVUGGUSA-N 2 2 328.460 2.191 10 30 EEEELP C#CCC[NH2+]C[C@@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C1CCCCC1 ZINC001271334777 1186146051 /nfs/dbraw/zinc/14/60/51/1186146051.db2.gz MPHLYALTGAQLHT-BRWVUGGUSA-N 2 2 328.460 2.191 10 30 EEEELP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H](C)C[N@H+](C)Cc1cc(C)ccc1F ZINC001483352102 1190388671 /nfs/dbraw/zinc/38/86/71/1190388671.db2.gz WMVOFSKCGHIABN-APWZRJJASA-N 2 2 345.462 2.168 10 30 EEEELP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H](C)C[N@@H+](C)Cc1cc(C)ccc1F ZINC001483352102 1190388673 /nfs/dbraw/zinc/38/86/73/1190388673.db2.gz WMVOFSKCGHIABN-APWZRJJASA-N 2 2 345.462 2.168 10 30 EEEELP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH+](C)Cc1cc(C)ccc1F ZINC001483352102 1190388679 /nfs/dbraw/zinc/38/86/79/1190388679.db2.gz WMVOFSKCGHIABN-APWZRJJASA-N 2 2 345.462 2.168 10 30 EEEELP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH+](C)Cc1cc(C)ccc1F ZINC001483352102 1190388685 /nfs/dbraw/zinc/38/86/85/1190388685.db2.gz WMVOFSKCGHIABN-APWZRJJASA-N 2 2 345.462 2.168 10 30 EEEELP C=CCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1(C)C ZINC001486242368 1193768389 /nfs/dbraw/zinc/76/83/89/1193768389.db2.gz IOXHYJWXTPGEPO-BFYDXBDKSA-N 2 2 330.476 2.316 10 30 EEEELP C=C(Cl)C[NH2+]C[C@@H]1CC[C@@H](NC(=O)Cc2c[nH+]ccc2OC)C1 ZINC001410962326 1198636382 /nfs/dbraw/zinc/63/63/82/1198636382.db2.gz SLJSCTDRWOZAJT-UKRRQHHQSA-N 2 2 337.851 2.260 10 30 EEEELP N#Cc1cccc(OCC[NH+]2CCC([NH2+]C3CCOCC3)CC2)c1 ZINC001413055469 1224852341 /nfs/dbraw/zinc/85/23/41/1224852341.db2.gz DDSFCOZGWATMSE-UHFFFAOYSA-N 2 2 329.444 2.170 10 30 EEEELP C[C@@H]([NH2+][C@H]1C[NH2+]CC2(CCOCC2)C1)c1ccc(OCC#N)cc1 ZINC000925799325 1206154883 /nfs/dbraw/zinc/15/48/83/1206154883.db2.gz TYDNFMVUZPPQAG-NVXWUHKLSA-N 2 2 329.444 2.398 10 30 EEEELP C=C(C)C[NH2+]C1(CC)CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001273789954 1285888607 /nfs/dbraw/zinc/88/86/07/1285888607.db2.gz NNVBIDOLXFEROE-HZPDHXFCSA-N 2 2 330.476 2.461 10 30 EEEELP C=C(Cl)C[N@H+](CC)CCCNC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001490337438 1291234086 /nfs/dbraw/zinc/23/40/86/1291234086.db2.gz XVCKFECEPOIFJK-UHFFFAOYSA-N 2 2 347.850 2.462 10 30 EEEELP C=C(Cl)C[N@@H+](CC)CCCNC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001490337438 1291234100 /nfs/dbraw/zinc/23/41/00/1291234100.db2.gz XVCKFECEPOIFJK-UHFFFAOYSA-N 2 2 347.850 2.462 10 30 EEEELP C=CC[N@@H+]1CC[C@@H](C2CCN(C(=O)CCCn3cc[nH+]c3)CC2)C1 ZINC001277285359 1302169344 /nfs/dbraw/zinc/16/93/44/1302169344.db2.gz OQWWAUQBSFQJGF-GOSISDBHSA-N 2 2 330.476 2.410 10 30 EEEELP C=CC[N@H+]1CC[C@@H](C2CCN(C(=O)CCCn3cc[nH+]c3)CC2)C1 ZINC001277285359 1302169345 /nfs/dbraw/zinc/16/93/45/1302169345.db2.gz OQWWAUQBSFQJGF-GOSISDBHSA-N 2 2 330.476 2.410 10 30 EEEELP C=CCC[C@H](C)[NH2+][C@H]1CCN(C(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001265430911 1323151754 /nfs/dbraw/zinc/15/17/54/1323151754.db2.gz NHSZJJAMWGMHRE-HOTGVXAUSA-N 2 2 330.476 2.307 10 30 EEEELP C=C(C)C[NH2+]C[C@H]1CN(C(=O)Cc2cn3cccc(C)c3[nH+]2)C[C@@H]1C ZINC001279162046 1323842395 /nfs/dbraw/zinc/84/23/95/1323842395.db2.gz NVUPHTWUDBURBB-IRXDYDNUSA-N 2 2 340.471 2.445 10 30 EEEELP C#CCC[NH2+]C[C@H]1CCCCN1C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001280449173 1324231646 /nfs/dbraw/zinc/23/16/46/1324231646.db2.gz MIPJNVBDYRICRJ-LJQANCHMSA-N 2 2 336.439 2.480 10 30 EEEELP C=C(C)CC[NH2+][C@@H](C)CN(C)C(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC001283665010 1326190619 /nfs/dbraw/zinc/19/06/19/1326190619.db2.gz HUQWNEOHRAHYFU-FUHWJXTLSA-N 2 2 337.508 2.033 10 30 EEEELP C=C(C)CC[NH2+][C@@H](C)CN(C)C(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC001283665010 1326190621 /nfs/dbraw/zinc/19/06/21/1326190621.db2.gz HUQWNEOHRAHYFU-FUHWJXTLSA-N 2 2 337.508 2.033 10 30 EEEELP C=CCCC[N@@H+](C)C[C@@H](C)NC(=O)c1cc([C@H]2CCC[NH+]2C)n[nH]1 ZINC001322158282 1333219745 /nfs/dbraw/zinc/21/97/45/1333219745.db2.gz BUZGTLXRCSNVBH-RHSMWYFYSA-N 2 2 333.480 2.193 10 30 EEEELP C=CCCC[N@H+](C)C[C@@H](C)NC(=O)c1cc([C@H]2CCC[NH+]2C)n[nH]1 ZINC001322158282 1333219748 /nfs/dbraw/zinc/21/97/48/1333219748.db2.gz BUZGTLXRCSNVBH-RHSMWYFYSA-N 2 2 333.480 2.193 10 30 EEEELP C=CCCC[NH+](C)C[C@@H](C)NC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1 ZINC001322158282 1333219752 /nfs/dbraw/zinc/21/97/52/1333219752.db2.gz BUZGTLXRCSNVBH-RHSMWYFYSA-N 2 2 333.480 2.193 10 30 EEEELP C=CCCC[NH+](C)C[C@@H](C)NC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1 ZINC001322158282 1333219757 /nfs/dbraw/zinc/21/97/57/1333219757.db2.gz BUZGTLXRCSNVBH-RHSMWYFYSA-N 2 2 333.480 2.193 10 30 EEEELP C[C@H](CC(=O)N(C)CCC[NH2+]CC#Cc1ccccc1)n1cc[nH+]c1 ZINC001322716992 1333313092 /nfs/dbraw/zinc/31/30/92/1333313092.db2.gz SFWYBHWROONFKX-GOSISDBHSA-N 2 2 338.455 2.324 10 30 EEEELP C#CC[N@@H+](CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C1CCCCCC1 ZINC001323720986 1333524286 /nfs/dbraw/zinc/52/42/86/1333524286.db2.gz AJQXKJDIJOMBOJ-QZTJIDSGSA-N 2 2 342.487 2.298 10 30 EEEELP C#CC[N@H+](CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C1CCCCCC1 ZINC001323720986 1333524290 /nfs/dbraw/zinc/52/42/90/1333524290.db2.gz AJQXKJDIJOMBOJ-QZTJIDSGSA-N 2 2 342.487 2.298 10 30 EEEELP C=CC[NH2+]C[C@H]1CN(C(=O)Cc2cn3cccc(C)c3[nH+]2)C[C@@H]1C ZINC001325574455 1333914737 /nfs/dbraw/zinc/91/47/37/1333914737.db2.gz HAUBQPODXKGCNO-HOTGVXAUSA-N 2 2 326.444 2.055 10 30 EEEELP C=CCCC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3CCn4c[nH+]cc4C3)[C@@H]2C1 ZINC001325943497 1334003069 /nfs/dbraw/zinc/00/30/69/1334003069.db2.gz VGPYPMXSFQQFDI-ZIFCJYIRSA-N 2 2 342.487 2.335 10 30 EEEELP C=CCCC[N@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3CCn4c[nH+]cc4C3)[C@@H]2C1 ZINC001325943497 1334003071 /nfs/dbraw/zinc/00/30/71/1334003071.db2.gz VGPYPMXSFQQFDI-ZIFCJYIRSA-N 2 2 342.487 2.335 10 30 EEEELP C=C(Cl)C[NH2+]CC[C@H]1CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001326305440 1334064461 /nfs/dbraw/zinc/06/44/61/1334064461.db2.gz UPINAILPPDGPBO-GJZGRUSLSA-N 2 2 336.867 2.026 10 30 EEEELP C=C(C)C[NH2+]CCC[C@H](C)NC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC001675959534 1357078284 /nfs/dbraw/zinc/07/82/84/1357078284.db2.gz ZJXZGMHVHSUTKI-WMZOPIPTSA-N 2 2 337.508 2.080 10 30 EEEELP C=C(C)C[NH2+]CCC[C@H](C)NC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC001675959534 1357078285 /nfs/dbraw/zinc/07/82/85/1357078285.db2.gz ZJXZGMHVHSUTKI-WMZOPIPTSA-N 2 2 337.508 2.080 10 30 EEEELP C=CCC[C@H](C)[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001571132719 1343163806 /nfs/dbraw/zinc/16/38/06/1343163806.db2.gz XJAXLBALZMBRPF-NXOAAHMSSA-N 2 2 330.476 2.285 10 30 EEEELP CC#CC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001661995511 1354738032 /nfs/dbraw/zinc/73/80/32/1354738032.db2.gz HCUUJLHRUNILOD-DLBZAZTESA-N 2 2 330.476 2.167 10 30 EEEELP CC#CC[N@H+]1CCC[C@@H]([C@H](C)NC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001661995511 1354738033 /nfs/dbraw/zinc/73/80/33/1354738033.db2.gz HCUUJLHRUNILOD-DLBZAZTESA-N 2 2 330.476 2.167 10 30 EEEELP CC#CC[N@@H+]1CCC[C@H]1CCCNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001663072595 1354909305 /nfs/dbraw/zinc/90/93/05/1354909305.db2.gz WORAPOUWHRLCPF-QGZVFWFLSA-N 2 2 330.476 2.311 10 30 EEEELP CC#CC[N@H+]1CCC[C@H]1CCCNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001663072595 1354909307 /nfs/dbraw/zinc/90/93/07/1354909307.db2.gz WORAPOUWHRLCPF-QGZVFWFLSA-N 2 2 330.476 2.311 10 30 EEEELP C=C(C)CC[NH2+]CC[C@@H](C)NC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1 ZINC001668064893 1355860626 /nfs/dbraw/zinc/86/06/26/1355860626.db2.gz DPLJLRHUGGBSMQ-RHSMWYFYSA-N 2 2 333.480 2.241 10 30 EEEELP C=C(C)CC[NH2+]CC[C@@H](C)NC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1 ZINC001668064893 1355860629 /nfs/dbraw/zinc/86/06/29/1355860629.db2.gz DPLJLRHUGGBSMQ-RHSMWYFYSA-N 2 2 333.480 2.241 10 30 EEEELP C#CCN(C(=O)[C@@H](C)Cc1c[nH]c[nH+]1)C1CC[NH+](CCCC)CC1 ZINC001671496626 1356349865 /nfs/dbraw/zinc/34/98/65/1356349865.db2.gz FQUUHEWNBBIGRX-INIZCTEOSA-N 2 2 330.476 2.315 10 30 EEEELP C#CCN(C(=O)[C@@H](C)Cc1c[nH+]c[nH]1)C1CC[NH+](CCCC)CC1 ZINC001671496626 1356349870 /nfs/dbraw/zinc/34/98/70/1356349870.db2.gz FQUUHEWNBBIGRX-INIZCTEOSA-N 2 2 330.476 2.315 10 30 EEEELP C=C(C)C[N@@H+]1CCC[C@@](C)(CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001671891539 1356431958 /nfs/dbraw/zinc/43/19/58/1356431958.db2.gz CLSMCQONWUZTSF-APWZRJJASA-N 2 2 330.476 2.240 10 30 EEEELP C=C(C)C[N@H+]1CCC[C@@](C)(CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001671891539 1356431961 /nfs/dbraw/zinc/43/19/61/1356431961.db2.gz CLSMCQONWUZTSF-APWZRJJASA-N 2 2 330.476 2.240 10 30 EEEELP CC#CC[NH2+][C@H](C)c1ccc(CNC(=O)CCc2c[nH+]cn2C)cc1 ZINC001672948112 1356621155 /nfs/dbraw/zinc/62/11/55/1356621155.db2.gz SKLTXPIBDIFXCH-MRXNPFEDSA-N 2 2 338.455 2.343 10 30 EEEELP C[C@H](CC(=O)NC/C=C\C[NH2+]Cc1cccc(C#N)c1)n1cc[nH+]c1 ZINC001699317629 1405333351 /nfs/dbraw/zinc/33/33/51/1405333351.db2.gz SZGOAAXQGQBQJK-RXYHWBRQSA-N 2 2 337.427 2.168 10 30 EEEELP C[C@H](C[N@H+](C)Cc1ccc(C#N)cc1)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001439332895 1092023146 /nfs/dbraw/zinc/02/31/46/1092023146.db2.gz LXOYGQJJUUITBH-KBRIMQKVSA-N 2 2 337.427 2.022 10 30 EEEELP C[C@H](C[N@@H+](C)Cc1ccc(C#N)cc1)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001439332895 1092023155 /nfs/dbraw/zinc/02/31/55/1092023155.db2.gz LXOYGQJJUUITBH-KBRIMQKVSA-N 2 2 337.427 2.022 10 30 EEEELP C=C(C)C[NH2+]CC[C@@H]1CCCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001495359403 1101073005 /nfs/dbraw/zinc/07/30/05/1101073005.db2.gz KCKSPHNPPXMHRZ-IRXDYDNUSA-N 2 2 330.476 2.240 10 30 EEEELP C#CCC[NH2+]CCC1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC001495417656 1101137264 /nfs/dbraw/zinc/13/72/64/1101137264.db2.gz DJSNWUUYXVZXGH-UHFFFAOYSA-N 2 2 330.476 2.168 10 30 EEEELP N#CC[NH+](CC1CC1)C1CCN(C(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CC1 ZINC001499527216 1112342399 /nfs/dbraw/zinc/34/23/99/1112342399.db2.gz GTBXLWROPVPPSA-OALUTQOASA-N 2 2 344.503 2.230 10 30 EEEELP N#CC[NH+](CC1CC1)C1CCN(C(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)CC1 ZINC001499527216 1112342404 /nfs/dbraw/zinc/34/24/04/1112342404.db2.gz GTBXLWROPVPPSA-OALUTQOASA-N 2 2 344.503 2.230 10 30 EEEELP N#CC[N@H+](CC1CC1)C1CCN(C(=O)[C@@H]2CC[C@@H]3CCCC[NH+]32)CC1 ZINC001499527216 1112342408 /nfs/dbraw/zinc/34/24/08/1112342408.db2.gz GTBXLWROPVPPSA-OALUTQOASA-N 2 2 344.503 2.230 10 30 EEEELP N#CC[N@@H+](CC1CC1)C1CCN(C(=O)[C@@H]2CC[C@@H]3CCCC[NH+]32)CC1 ZINC001499527216 1112342413 /nfs/dbraw/zinc/34/24/13/1112342413.db2.gz GTBXLWROPVPPSA-OALUTQOASA-N 2 2 344.503 2.230 10 30 EEEELP C=C(C)C[NH+]1CC2(C1)CC[C@H](CNC(=O)CCC[NH+]1CCCCC1)O2 ZINC001502443159 1113686380 /nfs/dbraw/zinc/68/63/80/1113686380.db2.gz MIYHVJUIOZHAOD-GOSISDBHSA-N 2 2 349.519 2.178 10 30 EEEELP C[N@@H+]1CCCC[C@H]1CN1CC[NH+](Cc2ccc(C#N)cc2F)CC1 ZINC000109753640 204291412 /nfs/dbraw/zinc/29/14/12/204291412.db2.gz OSPYLONTCBNOFG-SFHVURJKSA-N 2 2 330.451 2.299 10 30 EEEELP C[N@H+]1CCCC[C@H]1CN1CC[NH+](Cc2ccc(C#N)cc2F)CC1 ZINC000109753640 204291415 /nfs/dbraw/zinc/29/14/15/204291415.db2.gz OSPYLONTCBNOFG-SFHVURJKSA-N 2 2 330.451 2.299 10 30 EEEELP C[C@@H](CC[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)[S@](C)=O ZINC000344298914 161215510 /nfs/dbraw/zinc/21/55/10/161215510.db2.gz DOMAQGLXXLRMIX-WNSKOXEYSA-N 2 2 333.501 2.269 10 30 EEEELP COCC[C@H](COC)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000353641689 466032708 /nfs/dbraw/zinc/03/27/08/466032708.db2.gz JPDHTSGQRVUDPF-LJQANCHMSA-N 2 2 331.460 2.164 10 30 EEEELP N#CC1(C[C@@H](O)C[NH2+]Cc2ccccc2-n2cc[nH+]c2)CCOCC1 ZINC000600731581 468640578 /nfs/dbraw/zinc/64/05/78/468640578.db2.gz MUFIXRMNRWXDEE-QGZVFWFLSA-N 2 2 340.427 2.033 10 30 EEEELP N#Cc1ccc(OC[C@@H](O)C[NH2+]C[C@@H]2CC[N@@H+]2C2CCCCC2)cc1 ZINC000600748782 468647258 /nfs/dbraw/zinc/64/72/58/468647258.db2.gz DLZOIEVQBIVRID-OALUTQOASA-N 2 2 343.471 2.295 10 30 EEEELP N#Cc1ccc(OC[C@@H](O)C[NH2+]C[C@@H]2CC[N@H+]2C2CCCCC2)cc1 ZINC000600748782 468647261 /nfs/dbraw/zinc/64/72/61/468647261.db2.gz DLZOIEVQBIVRID-OALUTQOASA-N 2 2 343.471 2.295 10 30 EEEELP N#CC1(C[C@H](O)C[NH2+]C[C@@H]2CC[N@@H+]2C2CCCCC2)CCOCC1 ZINC000600751665 468647861 /nfs/dbraw/zinc/64/78/61/468647861.db2.gz SAJSAXJIUKMMRJ-ROUUACIJSA-N 2 2 335.492 2.054 10 30 EEEELP N#CC1(C[C@H](O)C[NH2+]C[C@@H]2CC[N@H+]2C2CCCCC2)CCOCC1 ZINC000600751665 468647865 /nfs/dbraw/zinc/64/78/65/468647865.db2.gz SAJSAXJIUKMMRJ-ROUUACIJSA-N 2 2 335.492 2.054 10 30 EEEELP N#Cc1cccc(C[NH+]2CCC([NH2+]Cc3cnn4c3CCC4)CC2)c1 ZINC000594950258 468729183 /nfs/dbraw/zinc/72/91/83/468729183.db2.gz RXATWONFWJQNHA-UHFFFAOYSA-N 2 2 335.455 2.455 10 30 EEEELP CO[C@H](C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)[C@H]1CCOC1 ZINC000594953560 468730530 /nfs/dbraw/zinc/73/05/30/468730530.db2.gz UWUCRSYMALJZPW-AZUAARDMSA-N 2 2 343.471 2.164 10 30 EEEELP C[N@@H+]1CCN(Cc2ccccc2)[C@H](C[NH2+]Cc2cccc(C#N)c2)C1 ZINC000594993728 468740199 /nfs/dbraw/zinc/74/01/99/468740199.db2.gz HWGHSMKLPHHVDZ-OAQYLSRUSA-N 2 2 334.467 2.464 10 30 EEEELP C[N@H+]1CCN(Cc2ccccc2)[C@H](C[NH2+]Cc2cccc(C#N)c2)C1 ZINC000594993728 468740200 /nfs/dbraw/zinc/74/02/00/468740200.db2.gz HWGHSMKLPHHVDZ-OAQYLSRUSA-N 2 2 334.467 2.464 10 30 EEEELP CCC(C#N)(CC)C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000599596375 469303528 /nfs/dbraw/zinc/30/35/28/469303528.db2.gz AOFKMBCNLSPOLZ-UHFFFAOYSA-N 2 2 334.508 2.383 10 30 EEEELP C#CC[NH+]1CCN(C(=O)C[N@H+](Cc2ccoc2)C2CCCCC2)CC1 ZINC000748821585 577967503 /nfs/dbraw/zinc/96/75/03/577967503.db2.gz SFWNAHXDSLNETD-UHFFFAOYSA-N 2 2 343.471 2.192 10 30 EEEELP C#CC[NH+]1CCN(C(=O)C[N@@H+](Cc2ccoc2)C2CCCCC2)CC1 ZINC000748821585 577967504 /nfs/dbraw/zinc/96/75/04/577967504.db2.gz SFWNAHXDSLNETD-UHFFFAOYSA-N 2 2 343.471 2.192 10 30 EEEELP C#CC[NH+]1CCN(C(=O)C[N@H+]2CC[C@@H](C)C[C@@H]2c2ccc(C)o2)CC1 ZINC000748823840 577967666 /nfs/dbraw/zinc/96/76/66/577967666.db2.gz YGIOTYPYKMVWOK-SJLPKXTDSA-N 2 2 343.471 2.138 10 30 EEEELP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C[C@@H]2c2ccc(C)o2)CC1 ZINC000748823840 577967667 /nfs/dbraw/zinc/96/76/67/577967667.db2.gz YGIOTYPYKMVWOK-SJLPKXTDSA-N 2 2 343.471 2.138 10 30 EEEELP C=CCC[N@@H+](C)C[C@H]1CCCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001266459483 1176572981 /nfs/dbraw/zinc/57/29/81/1176572981.db2.gz QVGMHDYTDGWWPU-IAGOWNOFSA-N 2 2 330.476 2.192 10 30 EEEELP C=CCC[N@H+](C)C[C@H]1CCCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001266459483 1176572987 /nfs/dbraw/zinc/57/29/87/1176572987.db2.gz QVGMHDYTDGWWPU-IAGOWNOFSA-N 2 2 330.476 2.192 10 30 EEEELP C=CCCCCC[N@@H+]1CC[C@H]1CNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001670662378 1176978911 /nfs/dbraw/zinc/97/89/11/1176978911.db2.gz PMROEZOLPNEGTI-WMZOPIPTSA-N 2 2 330.476 2.382 10 30 EEEELP C=CCCCCC[N@H+]1CC[C@H]1CNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001670662378 1176978919 /nfs/dbraw/zinc/97/89/19/1176978919.db2.gz PMROEZOLPNEGTI-WMZOPIPTSA-N 2 2 330.476 2.382 10 30 EEEELP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]([NH2+]C/C=C/Cl)c1ccccc1 ZINC001267361731 1178834342 /nfs/dbraw/zinc/83/43/42/1178834342.db2.gz GTNSDPTWCIJTDN-UCMWELRRSA-N 2 2 345.874 2.284 10 30 EEEELP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]([NH2+]C/C=C/Cl)c1ccccc1 ZINC001267361731 1178834351 /nfs/dbraw/zinc/83/43/51/1178834351.db2.gz GTNSDPTWCIJTDN-UCMWELRRSA-N 2 2 345.874 2.284 10 30 EEEELP C=CCCC[N@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001267788102 1180531838 /nfs/dbraw/zinc/53/18/38/1180531838.db2.gz PXPXSDXRJSYRDN-AEFFLSMTSA-N 2 2 330.476 2.335 10 30 EEEELP C=CCCC[N@@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001267788102 1180531843 /nfs/dbraw/zinc/53/18/43/1180531843.db2.gz PXPXSDXRJSYRDN-AEFFLSMTSA-N 2 2 330.476 2.335 10 30 EEEELP C#CCN(C(=O)Cn1cc[nH+]c1)C1CC[NH+](Cc2ccsc2)CC1 ZINC001270370712 1185055895 /nfs/dbraw/zinc/05/58/95/1185055895.db2.gz ZVPWHTIGMNPNNM-UHFFFAOYSA-N 2 2 342.468 2.071 10 30 EEEELP C[C@H](C[NH2+]CC#Cc1cccc(Cl)c1)N(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001271155381 1185984419 /nfs/dbraw/zinc/98/44/19/1185984419.db2.gz PAOMSZZBKDVGMM-CQSZACIVSA-N 2 2 344.846 2.094 10 30 EEEELP C=CCCC[NH2+]C[C@H]1CN(C(=O)Cc2cn3c([nH+]2)CCCC3)C[C@H]1C ZINC001271619861 1186338683 /nfs/dbraw/zinc/33/86/83/1186338683.db2.gz VQFXAABVJKMOJV-SJORKVTESA-N 2 2 344.503 2.412 10 30 EEEELP C#CCC[NH2+]C[C@H]1CC[C@H](CNC(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001271783012 1186480540 /nfs/dbraw/zinc/48/05/40/1186480540.db2.gz MUISSSYVAURVHY-BZSNNMDCSA-N 2 2 330.476 2.370 10 30 EEEELP C=C(C)CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001691602292 1188302998 /nfs/dbraw/zinc/30/29/98/1188302998.db2.gz YFJMXPZEGXAFDW-GVDBMIGSSA-N 2 2 330.476 2.286 10 30 EEEELP CC(C)(C(=O)NC[C@@H]1CC[N@@H+]1Cc1ccc(C#N)cc1)[NH+]1CCCC1 ZINC001483669715 1190728781 /nfs/dbraw/zinc/72/87/81/1190728781.db2.gz BNKXELVBAFFAMY-SFHVURJKSA-N 2 2 340.471 2.123 10 30 EEEELP CC(C)(C(=O)NC[C@@H]1CC[N@H+]1Cc1ccc(C#N)cc1)[NH+]1CCCC1 ZINC001483669715 1190728784 /nfs/dbraw/zinc/72/87/84/1190728784.db2.gz BNKXELVBAFFAMY-SFHVURJKSA-N 2 2 340.471 2.123 10 30 EEEELP C#CCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001483806144 1191051948 /nfs/dbraw/zinc/05/19/48/1191051948.db2.gz ONJGEMDSQOSGBH-PYWTVGQWSA-N 2 2 340.471 2.049 10 30 EEEELP C=C(C)C[NH2+]C[C@@H](NC(=O)[C@H]1CCc2c[nH+]cn2C1)C1CCCC1 ZINC001484002949 1191151903 /nfs/dbraw/zinc/15/19/03/1191151903.db2.gz LMWJHXTVXFIRHC-FUHWJXTLSA-N 2 2 330.476 2.286 10 30 EEEELP C=CC[NH+]1CCC[C@](C)(CNC(=O)c2cc([C@@H]3CCC[N@H+]3C)n[nH]2)C1 ZINC001484160941 1191249128 /nfs/dbraw/zinc/24/91/28/1191249128.db2.gz LGFMIVNWDFYSNP-PKOBYXMFSA-N 2 2 345.491 2.194 10 30 EEEELP C=CC[NH+]1CCC[C@](C)(CNC(=O)c2cc([C@@H]3CCC[N@@H+]3C)n[nH]2)C1 ZINC001484160941 1191249130 /nfs/dbraw/zinc/24/91/30/1191249130.db2.gz LGFMIVNWDFYSNP-PKOBYXMFSA-N 2 2 345.491 2.194 10 30 EEEELP C=CC[N@H+]1CCC[C@](C)(CNC(=O)c2cc([C@@H]3CCC[NH+]3C)n[nH]2)C1 ZINC001484160941 1191249131 /nfs/dbraw/zinc/24/91/31/1191249131.db2.gz LGFMIVNWDFYSNP-PKOBYXMFSA-N 2 2 345.491 2.194 10 30 EEEELP C=CC[N@@H+]1CCC[C@](C)(CNC(=O)c2cc([C@@H]3CCC[NH+]3C)n[nH]2)C1 ZINC001484160941 1191249133 /nfs/dbraw/zinc/24/91/33/1191249133.db2.gz LGFMIVNWDFYSNP-PKOBYXMFSA-N 2 2 345.491 2.194 10 30 EEEELP N#Cc1ccc(C[NH+]2CCC([NH2+]CCC[C@H]3CCOC3=O)CC2)cc1 ZINC000872118410 1198049126 /nfs/dbraw/zinc/04/91/26/1198049126.db2.gz ZDMDLIZXWDGFBP-SFHVURJKSA-N 2 2 341.455 2.456 10 30 EEEELP C#CC[N@@H+](CCn1cc[nH+]c1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000886425944 1202507120 /nfs/dbraw/zinc/50/71/20/1202507120.db2.gz AZKSZXSNSCDNCI-UHFFFAOYSA-N 2 2 332.448 2.218 10 30 EEEELP C#CC[N@H+](CCn1cc[nH+]c1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000886425944 1202507121 /nfs/dbraw/zinc/50/71/21/1202507121.db2.gz AZKSZXSNSCDNCI-UHFFFAOYSA-N 2 2 332.448 2.218 10 30 EEEELP C=CCCC[N@@H+](C)C[C@@H](C)NC(=O)[C@H]1COCC[NH+]1C1CCCC1 ZINC001275629119 1205451873 /nfs/dbraw/zinc/45/18/73/1205451873.db2.gz KCIXLAXOZRBUPX-SJLPKXTDSA-N 2 2 337.508 2.033 10 30 EEEELP C=CCCC[N@H+](C)C[C@@H](C)NC(=O)[C@H]1COCC[NH+]1C1CCCC1 ZINC001275629119 1205451874 /nfs/dbraw/zinc/45/18/74/1205451874.db2.gz KCIXLAXOZRBUPX-SJLPKXTDSA-N 2 2 337.508 2.033 10 30 EEEELP C=CCCC[NH+](C)C[C@@H](C)NC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC001275629119 1205451875 /nfs/dbraw/zinc/45/18/75/1205451875.db2.gz KCIXLAXOZRBUPX-SJLPKXTDSA-N 2 2 337.508 2.033 10 30 EEEELP C=CCCC[NH+](C)C[C@@H](C)NC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC001275629119 1205451878 /nfs/dbraw/zinc/45/18/78/1205451878.db2.gz KCIXLAXOZRBUPX-SJLPKXTDSA-N 2 2 337.508 2.033 10 30 EEEELP C#CCC[N@H+]1CCC[C@H](CNC(=O)Cc2cn3cccc(C)c3[nH+]2)C1 ZINC001491122829 1258720388 /nfs/dbraw/zinc/72/03/88/1258720388.db2.gz MQFFQPYXNZOBPH-QGZVFWFLSA-N 2 2 338.455 2.037 10 30 EEEELP C#CCC[N@@H+]1CCC[C@H](CNC(=O)Cc2cn3cccc(C)c3[nH+]2)C1 ZINC001491122829 1258720393 /nfs/dbraw/zinc/72/03/93/1258720393.db2.gz MQFFQPYXNZOBPH-QGZVFWFLSA-N 2 2 338.455 2.037 10 30 EEEELP C=CCCC[NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001265675392 1323314452 /nfs/dbraw/zinc/31/44/52/1323314452.db2.gz HDYRFHQUNVOFCL-IRXDYDNUSA-N 2 2 330.476 2.382 10 30 EEEELP C#CCC[N@@H+](CC)CC1CCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC001281833155 1325480220 /nfs/dbraw/zinc/48/02/20/1325480220.db2.gz BIPMBCNONKMWMF-SFHVURJKSA-N 2 2 342.487 2.029 10 30 EEEELP C#CCC[N@H+](CC)CC1CCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC001281833155 1325480224 /nfs/dbraw/zinc/48/02/24/1325480224.db2.gz BIPMBCNONKMWMF-SFHVURJKSA-N 2 2 342.487 2.029 10 30 EEEELP CC#CC[N@@H+](C)CCN(C(=O)c1ccn(-c2cc[nH+]cc2)n1)C(C)C ZINC001284545034 1326605759 /nfs/dbraw/zinc/60/57/59/1326605759.db2.gz VXPOCTDOHWKVGT-UHFFFAOYSA-N 2 2 339.443 2.073 10 30 EEEELP C[C@H](CCNC(=O)Cc1[nH]cc[nH+]1)[NH2+]CC#Cc1ccc(Cl)cc1 ZINC001317409671 1332217785 /nfs/dbraw/zinc/21/77/85/1332217785.db2.gz SNHQDIPVKRZBBS-CQSZACIVSA-N 2 2 344.846 2.142 10 30 EEEELP C=CCCC[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001317842092 1332428582 /nfs/dbraw/zinc/42/85/82/1332428582.db2.gz LEPRQHYLAHZPDT-IAGOWNOFSA-N 2 2 330.476 2.192 10 30 EEEELP C=CCCC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001317842092 1332428584 /nfs/dbraw/zinc/42/85/84/1332428584.db2.gz LEPRQHYLAHZPDT-IAGOWNOFSA-N 2 2 330.476 2.192 10 30 EEEELP C=CCCCCC[NH+]1CC(NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001318041024 1332464085 /nfs/dbraw/zinc/46/40/85/1332464085.db2.gz FEGOAVNWRJSROG-UHFFFAOYSA-N 2 2 339.443 2.428 10 30 EEEELP C=C(C)CC[NH2+]CC1(NC(=O)[C@@H]2CCc3[nH+]ccn3C2)CCCC1 ZINC001318642042 1332571860 /nfs/dbraw/zinc/57/18/60/1332571860.db2.gz HWCRZIDOUBINNC-MRXNPFEDSA-N 2 2 330.476 2.430 10 30 EEEELP Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C)C[NH2+]CC#Cc1ccc(Cl)cc1 ZINC001322059063 1333203522 /nfs/dbraw/zinc/20/35/22/1333203522.db2.gz CNOHPZLAZRDEET-ZDUSSCGKSA-N 2 2 344.846 2.060 10 30 EEEELP C=CCCC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCn4c[nH+]cc4C3)C2)C1 ZINC001323859369 1333559819 /nfs/dbraw/zinc/55/98/19/1333559819.db2.gz WBFFWGFGUUSSIF-YLJYHZDGSA-N 2 2 342.487 2.336 10 30 EEEELP C=CCCC[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCn4c[nH+]cc4C3)C2)C1 ZINC001323859369 1333559823 /nfs/dbraw/zinc/55/98/23/1333559823.db2.gz WBFFWGFGUUSSIF-YLJYHZDGSA-N 2 2 342.487 2.336 10 30 EEEELP C=CCOCC[N@H+]1CC[C@](C)(NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001324615572 1333723412 /nfs/dbraw/zinc/72/34/12/1333723412.db2.gz PWXMXNAGPWJVFX-IBGZPJMESA-N 2 2 342.443 2.040 10 30 EEEELP C=CCOCC[N@@H+]1CC[C@](C)(NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001324615572 1333723415 /nfs/dbraw/zinc/72/34/15/1333723415.db2.gz PWXMXNAGPWJVFX-IBGZPJMESA-N 2 2 342.443 2.040 10 30 EEEELP C=C(Cl)C[NH2+]CCN(Cc1ccccc1)C(=O)Cc1c[nH+]cn1C ZINC001325708786 1333945158 /nfs/dbraw/zinc/94/51/58/1333945158.db2.gz UVNJIMJETWCXON-UHFFFAOYSA-N 2 2 346.862 2.334 10 30 EEEELP C=CCC[C@@H](C)[NH2+]CC1(O)CCN(C(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001328195896 1334413175 /nfs/dbraw/zinc/41/31/75/1334413175.db2.gz BKEKICSJHLPHKE-SJORKVTESA-N 2 2 348.491 2.132 10 30 EEEELP C=CCC[NH2+][C@@H](C)[C@@H]1CN(C(=O)c2c(C)cc(C)[nH+]c2C)CCO1 ZINC001330403779 1334837355 /nfs/dbraw/zinc/83/73/55/1334837355.db2.gz KIOWKVWACIZKTQ-RDJZCZTQSA-N 2 2 331.460 2.402 10 30 EEEELP C=C(C)CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)Cc3c[nH+]cn3C)C[C@H]21 ZINC001332146104 1335743352 /nfs/dbraw/zinc/74/33/52/1335743352.db2.gz LLVLWOWRIVUCIJ-CGTJXYLNSA-N 2 2 330.476 2.146 10 30 EEEELP C#CC[NH2+]CC[C@H]1[C@@H](C)CCCN1C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001649434328 1353502045 /nfs/dbraw/zinc/50/20/45/1353502045.db2.gz XYIUFRRLOZCEAE-WMZOPIPTSA-N 2 2 342.487 2.002 10 30 EEEELP C#CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001661066929 1354584519 /nfs/dbraw/zinc/58/45/19/1354584519.db2.gz RPDRZQQDMJNPNB-IRXDYDNUSA-N 2 2 328.460 2.074 10 30 EEEELP CC#CC[NH+]1CCC(N(CCC)C(=O)CCCn2cc[nH+]c2)CC1 ZINC001661096724 1354590521 /nfs/dbraw/zinc/59/05/21/1354590521.db2.gz BAZKDAAWWGNTKH-UHFFFAOYSA-N 2 2 330.476 2.390 10 30 EEEELP C=C(C)C[NH2+][C@@H](CNC(=O)[C@H]1CCc2c[nH+]cn2C1)c1ccccc1 ZINC001664583798 1355197259 /nfs/dbraw/zinc/19/72/59/1355197259.db2.gz VUDBHQUUWWKEJL-HKUYNNGSSA-N 2 2 338.455 2.469 10 30 EEEELP C#CCN(C(=O)C[C@@H](C)n1cc[nH+]c1)C1CC[NH+](CC(=C)C)CC1 ZINC001671496655 1356349926 /nfs/dbraw/zinc/34/99/26/1356349926.db2.gz GISKREDOABVRTI-QGZVFWFLSA-N 2 2 328.460 2.337 10 30 EEEELP C=C(C)CC[NH2+]C1(C)CCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC001673960281 1356765375 /nfs/dbraw/zinc/76/53/75/1356765375.db2.gz CVIXHOHMPMTTDE-MRXNPFEDSA-N 2 2 330.476 2.382 10 30 EEEELP C=C(C)C[NH2+][C@@H](CCN(C)C(=O)C(C)(C)[NH+]1CCOCC1)C(C)C ZINC001675140493 1356937734 /nfs/dbraw/zinc/93/77/34/1356937734.db2.gz PUGSXSDXDCZXQV-KRWDZBQOSA-N 2 2 339.524 2.136 10 30 EEEELP C=CCC[NH2+][C@@H]1CCCCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001692128833 1404989135 /nfs/dbraw/zinc/98/91/35/1404989135.db2.gz LAQFQTUXIJKGGR-BRWVUGGUSA-N 2 2 330.476 2.461 10 30 EEEELP CC#CC[NH2+][C@H](C)[C@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001699943573 1405593355 /nfs/dbraw/zinc/59/33/55/1405593355.db2.gz JKIDJSIXEBGTPT-AEFFLSMTSA-N 2 2 336.439 2.336 10 30 EEEELP C=C(Cl)C[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@H+]2C)C(C)(C)C1 ZINC000940842356 779396974 /nfs/dbraw/zinc/39/69/74/779396974.db2.gz DTWBPRAVZLWULC-CABCVRRESA-N 2 2 327.900 2.440 10 30 EEEELP C=C(Cl)C[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C)C(C)(C)C1 ZINC000940842356 779396977 /nfs/dbraw/zinc/39/69/77/779396977.db2.gz DTWBPRAVZLWULC-CABCVRRESA-N 2 2 327.900 2.440 10 30 EEEELP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2C)C(C)(C)C1 ZINC000940842356 779396985 /nfs/dbraw/zinc/39/69/85/779396985.db2.gz DTWBPRAVZLWULC-CABCVRRESA-N 2 2 327.900 2.440 10 30 EEEELP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2C)C(C)(C)C1 ZINC000940842356 779396988 /nfs/dbraw/zinc/39/69/88/779396988.db2.gz DTWBPRAVZLWULC-CABCVRRESA-N 2 2 327.900 2.440 10 30 EEEELP C[N@H+](CCNC(=O)[C@H]1CC[C@H]2CCCC[NH+]21)Cc1ccc(C#N)s1 ZINC001437479733 1089827586 /nfs/dbraw/zinc/82/75/86/1089827586.db2.gz ARTIFXPMIVPGEV-RHSMWYFYSA-N 2 2 346.500 2.185 10 30 EEEELP C[N@@H+](CCNC(=O)[C@H]1CC[C@H]2CCCC[NH+]21)Cc1ccc(C#N)s1 ZINC001437479733 1089827595 /nfs/dbraw/zinc/82/75/95/1089827595.db2.gz ARTIFXPMIVPGEV-RHSMWYFYSA-N 2 2 346.500 2.185 10 30 EEEELP C[NH+](CCNC(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21)Cc1ccc(C#N)s1 ZINC001437479733 1089827603 /nfs/dbraw/zinc/82/76/03/1089827603.db2.gz ARTIFXPMIVPGEV-RHSMWYFYSA-N 2 2 346.500 2.185 10 30 EEEELP C[NH+](CCNC(=O)[C@H]1CC[C@H]2CCCC[N@H+]21)Cc1ccc(C#N)s1 ZINC001437479733 1089827614 /nfs/dbraw/zinc/82/76/14/1089827614.db2.gz ARTIFXPMIVPGEV-RHSMWYFYSA-N 2 2 346.500 2.185 10 30 EEEELP C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001443842281 1098356065 /nfs/dbraw/zinc/35/60/65/1098356065.db2.gz KGWDARPRDMGQHP-CVEARBPZSA-N 2 2 327.900 2.392 10 30 EEEELP C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001443842281 1098356071 /nfs/dbraw/zinc/35/60/71/1098356071.db2.gz KGWDARPRDMGQHP-CVEARBPZSA-N 2 2 327.900 2.392 10 30 EEEELP C=CCOCC[NH2+][C@H]1CCCCCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001479692084 1098755563 /nfs/dbraw/zinc/75/55/63/1098755563.db2.gz NVLRKBITQWOPND-IRXDYDNUSA-N 2 2 348.491 2.152 10 30 EEEELP C=CCOCC[NH2+][C@H]1CCCCCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001479692084 1098755567 /nfs/dbraw/zinc/75/55/67/1098755567.db2.gz NVLRKBITQWOPND-IRXDYDNUSA-N 2 2 348.491 2.152 10 30 EEEELP C=CCOCC[NH2+][C@@H]1CCCCCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001479692082 1098756301 /nfs/dbraw/zinc/75/63/01/1098756301.db2.gz NVLRKBITQWOPND-DLBZAZTESA-N 2 2 348.491 2.152 10 30 EEEELP C=CCOCC[NH2+][C@@H]1CCCCCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001479692082 1098756312 /nfs/dbraw/zinc/75/63/12/1098756312.db2.gz NVLRKBITQWOPND-DLBZAZTESA-N 2 2 348.491 2.152 10 30 EEEELP C[C@@H](CC[NH2+]CC#Cc1ccc(Cl)cc1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001497298446 1102275272 /nfs/dbraw/zinc/27/52/72/1102275272.db2.gz ORBBWSOEVIGIBQ-AWEZNQCLSA-N 2 2 344.846 2.142 10 30 EEEELP CC#CC[NH2+]C[C@H]1CC[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001507410252 1115255743 /nfs/dbraw/zinc/25/57/43/1115255743.db2.gz PSUWUYIYMDBEQF-WMZOPIPTSA-N 2 2 336.439 2.384 10 30 EEEELP C=C(Cl)C[N@H+](C)CCCNC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001566491435 1124244946 /nfs/dbraw/zinc/24/49/46/1124244946.db2.gz XCGOLRJJDCBJBQ-UHFFFAOYSA-N 2 2 340.855 2.075 10 30 EEEELP C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000292040780 238181719 /nfs/dbraw/zinc/18/17/19/238181719.db2.gz ALROQBVDEJKMTF-YLJYHZDGSA-N 2 2 340.471 2.349 10 30 EEEELP C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000292040780 238181721 /nfs/dbraw/zinc/18/17/21/238181721.db2.gz ALROQBVDEJKMTF-YLJYHZDGSA-N 2 2 340.471 2.349 10 30 EEEELP C[C@H](C(=O)N(CCC#N)c1ccccc1)[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000292040780 238181725 /nfs/dbraw/zinc/18/17/25/238181725.db2.gz ALROQBVDEJKMTF-YLJYHZDGSA-N 2 2 340.471 2.349 10 30 EEEELP C[C@H](C(=O)N(CCC#N)c1ccccc1)[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000292040780 238181728 /nfs/dbraw/zinc/18/17/28/238181728.db2.gz ALROQBVDEJKMTF-YLJYHZDGSA-N 2 2 340.471 2.349 10 30 EEEELP N#Cc1ccc(N2CC[C@@H]([NH+]3CCC(c4c[nH]c[nH+]4)CC3)C2=O)cc1 ZINC000374206796 154003873 /nfs/dbraw/zinc/00/38/73/154003873.db2.gz GJKPRUMENZDIHR-GOSISDBHSA-N 2 2 335.411 2.266 10 30 EEEELP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCc1cn2c([nH+]1)CCCC2 ZINC000329809159 465441755 /nfs/dbraw/zinc/44/17/55/465441755.db2.gz PXEVPQBOVBESTB-HZPDHXFCSA-N 2 2 331.464 2.192 10 30 EEEELP CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NCc1cn2c([nH+]1)CCCC2 ZINC000329809159 465441761 /nfs/dbraw/zinc/44/17/61/465441761.db2.gz PXEVPQBOVBESTB-HZPDHXFCSA-N 2 2 331.464 2.192 10 30 EEEELP [O-]C(=[NH+][C@@H]1CCn2cc[nH+]c2C1)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000330243115 465583777 /nfs/dbraw/zinc/58/37/77/465583777.db2.gz CKRPTJIUUOYQQA-HZPDHXFCSA-N 2 2 331.464 2.062 10 30 EEEELP N#CCCCC[C@@H]([NH3+])C(=O)N1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000594446121 468591921 /nfs/dbraw/zinc/59/19/21/468591921.db2.gz PMCGYWFOVSRTHT-QGZVFWFLSA-N 2 2 348.878 2.395 10 30 EEEELP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N(CCC#N)CCC[NH+](C)C)C2 ZINC000369651923 528322938 /nfs/dbraw/zinc/32/29/38/528322938.db2.gz BDIJXUMWBKEFJT-HNNXBMFYSA-N 2 2 345.491 2.332 10 30 EEEELP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)N(CCC#N)CCC[NH+](C)C)CC2 ZINC000369651923 528322942 /nfs/dbraw/zinc/32/29/42/528322942.db2.gz BDIJXUMWBKEFJT-HNNXBMFYSA-N 2 2 345.491 2.332 10 30 EEEELP C[NH+]=C(NCc1c[nH+]c(N(C)C)n1C)N(C)Cc1ccc(Cl)cc1 ZINC000262779987 688450569 /nfs/dbraw/zinc/45/05/69/688450569.db2.gz KUIJKFRFAUYWHY-UHFFFAOYSA-N 2 2 348.882 2.347 10 30 EEEELP C[C@@H](CC(=O)N(C)CC[NH2+]CC#Cc1ccc(F)cc1)n1cc[nH+]c1 ZINC001267434254 1179003880 /nfs/dbraw/zinc/00/38/80/1179003880.db2.gz VKHIPSLCEIEQMG-INIZCTEOSA-N 2 2 342.418 2.073 10 30 EEEELP C=C(C)C[N@H+](C)CC1CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC001267601398 1179646019 /nfs/dbraw/zinc/64/60/19/1179646019.db2.gz NKGQYSNDQYXRGE-QGZVFWFLSA-N 2 2 330.476 2.192 10 30 EEEELP C=C(C)C[N@@H+](C)CC1CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC001267601398 1179646024 /nfs/dbraw/zinc/64/60/24/1179646024.db2.gz NKGQYSNDQYXRGE-QGZVFWFLSA-N 2 2 330.476 2.192 10 30 EEEELP C=CCC[NH2+][C@@H](CNC(=O)[C@H]1CCc2c[nH+]cn2C1)c1ccccc1 ZINC001481366283 1181135264 /nfs/dbraw/zinc/13/52/64/1181135264.db2.gz WNFKXCFNZKRZKN-HKUYNNGSSA-N 2 2 338.455 2.469 10 30 EEEELP C=CCCC[N@H+]1CC[C@H](N(C)C(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001481725791 1182375419 /nfs/dbraw/zinc/37/54/19/1182375419.db2.gz ATUVBHIFSCHUBS-KRWDZBQOSA-N 2 2 330.476 2.261 10 30 EEEELP C=CCCC[N@@H+]1CC[C@H](N(C)C(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001481725791 1182375425 /nfs/dbraw/zinc/37/54/25/1182375425.db2.gz ATUVBHIFSCHUBS-KRWDZBQOSA-N 2 2 330.476 2.261 10 30 EEEELP O=C(Cc1c[nH]c[nH+]1)NCC1([NH2+]CC#Cc2ccccc2)CCCC1 ZINC001482231123 1184389534 /nfs/dbraw/zinc/38/95/34/1184389534.db2.gz LOFMYGYZISIEMQ-UHFFFAOYSA-N 2 2 336.439 2.023 10 30 EEEELP C=C(Cl)C[NH2+]CC[C@@H]1CCCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC001269752184 1184590427 /nfs/dbraw/zinc/59/04/27/1184590427.db2.gz TWTBHILUFMMLJE-HNNXBMFYSA-N 2 2 338.883 2.324 10 30 EEEELP C#CC[NH+]1CCC(C)(CNC(=O)[C@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001484138723 1191229573 /nfs/dbraw/zinc/22/95/73/1191229573.db2.gz KJDDQFMDHJEXDR-KRWDZBQOSA-N 2 2 330.476 2.322 10 30 EEEELP C#CCC[N@@H+](CC)CC1CCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001274960835 1205217941 /nfs/dbraw/zinc/21/79/41/1205217941.db2.gz UGFPJVFABVTOSK-MRXNPFEDSA-N 2 2 330.476 2.172 10 30 EEEELP C#CCC[N@H+](CC)CC1CCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001274960835 1205217943 /nfs/dbraw/zinc/21/79/43/1205217943.db2.gz UGFPJVFABVTOSK-MRXNPFEDSA-N 2 2 330.476 2.172 10 30 EEEELP C#CCC[N@@H+](CC)CC1CCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001274960835 1205217945 /nfs/dbraw/zinc/21/79/45/1205217945.db2.gz UGFPJVFABVTOSK-MRXNPFEDSA-N 2 2 330.476 2.172 10 30 EEEELP C#CCC[N@H+](CC)CC1CCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001274960835 1205217947 /nfs/dbraw/zinc/21/79/47/1205217947.db2.gz UGFPJVFABVTOSK-MRXNPFEDSA-N 2 2 330.476 2.172 10 30 EEEELP Cc1[nH+]c[nH]c1CC(=O)N[C@H](C)C[NH2+]CC#Cc1ccc(Cl)cc1 ZINC001275000650 1205231670 /nfs/dbraw/zinc/23/16/70/1205231670.db2.gz CNOHPZLAZRDEET-CYBMUJFWSA-N 2 2 344.846 2.060 10 30 EEEELP C=C(C)CC[NH2+]C[C@H]1CCCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001491156123 1258733257 /nfs/dbraw/zinc/73/32/57/1258733257.db2.gz IGAFSHQMDADFCR-SJORKVTESA-N 2 2 330.476 2.240 10 30 EEEELP C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)CCCn3cc[nH+]c3)C[C@@H]2C1 ZINC001489209380 1290448610 /nfs/dbraw/zinc/44/86/10/1290448610.db2.gz RMMYOZVDLADIKP-MSOLQXFVSA-N 2 2 330.476 2.410 10 30 EEEELP C=CCCC[N@H+]1CC[C@@H]2CN(C(=O)CCCn3cc[nH+]c3)C[C@@H]2C1 ZINC001489209380 1290448614 /nfs/dbraw/zinc/44/86/14/1290448614.db2.gz RMMYOZVDLADIKP-MSOLQXFVSA-N 2 2 330.476 2.410 10 30 EEEELP C=CCC[NH2+][C@H]1CN(C(=O)[C@H]2COCC[N@@H+]2C2CCCC2)CC1(C)C ZINC001278661604 1317587439 /nfs/dbraw/zinc/58/74/39/1317587439.db2.gz JIBSYIQMGCJOGN-MSOLQXFVSA-N 2 2 349.519 2.033 10 30 EEEELP C=CCC[NH2+][C@H]1CN(C(=O)[C@H]2COCC[N@H+]2C2CCCC2)CC1(C)C ZINC001278661604 1317587441 /nfs/dbraw/zinc/58/74/41/1317587441.db2.gz JIBSYIQMGCJOGN-MSOLQXFVSA-N 2 2 349.519 2.033 10 30 EEEELP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[N@@H+](CCCCCF)CC1(C)C ZINC001282812743 1325795108 /nfs/dbraw/zinc/79/51/08/1325795108.db2.gz YJYGSQHDPJYTBJ-IRXDYDNUSA-N 2 2 337.483 2.050 10 30 EEEELP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[N@H+](CCCCCF)CC1(C)C ZINC001282812743 1325795111 /nfs/dbraw/zinc/79/51/11/1325795111.db2.gz YJYGSQHDPJYTBJ-IRXDYDNUSA-N 2 2 337.483 2.050 10 30 EEEELP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[NH+](CCCCCF)CC1(C)C ZINC001282812743 1325795114 /nfs/dbraw/zinc/79/51/14/1325795114.db2.gz YJYGSQHDPJYTBJ-IRXDYDNUSA-N 2 2 337.483 2.050 10 30 EEEELP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[NH+](CCCCCF)CC1(C)C ZINC001282812743 1325795116 /nfs/dbraw/zinc/79/51/16/1325795116.db2.gz YJYGSQHDPJYTBJ-IRXDYDNUSA-N 2 2 337.483 2.050 10 30 EEEELP C=C(C)C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)CCCn3cc[nH+]c3)C[C@H]2C1 ZINC001282960387 1325855343 /nfs/dbraw/zinc/85/53/43/1325855343.db2.gz ZMIFCYXRKGZONY-OKZBNKHCSA-N 2 2 330.476 2.456 10 30 EEEELP C=C(C)C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)CCCn3cc[nH+]c3)C[C@H]2C1 ZINC001282960387 1325855346 /nfs/dbraw/zinc/85/53/46/1325855346.db2.gz ZMIFCYXRKGZONY-OKZBNKHCSA-N 2 2 330.476 2.456 10 30 EEEELP C=CCCCCC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001317115296 1332085592 /nfs/dbraw/zinc/08/55/92/1332085592.db2.gz OCPUXDQREDKFFY-ZACQAIPSSA-N 2 2 330.476 2.429 10 30 EEEELP C=C(C)CC[NH2+]C/C=C/CNC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC001321293665 1333066108 /nfs/dbraw/zinc/06/61/08/1333066108.db2.gz JIPYIDWFPZTQEM-SNAWJCMRSA-N 2 2 326.444 2.413 10 30 EEEELP CC(C)(C(=O)N1CCC([N@H+](CC#N)CC2CC2)CC1)[NH+]1CCCCC1 ZINC001323733320 1333526928 /nfs/dbraw/zinc/52/69/28/1333526928.db2.gz FMTXOJIOMJTAFN-UHFFFAOYSA-N 2 2 346.519 2.477 10 30 EEEELP CC(C)(C(=O)N1CCC([N@@H+](CC#N)CC2CC2)CC1)[NH+]1CCCCC1 ZINC001323733320 1333526930 /nfs/dbraw/zinc/52/69/30/1333526930.db2.gz FMTXOJIOMJTAFN-UHFFFAOYSA-N 2 2 346.519 2.477 10 30 EEEELP C#CCN(C(=O)[C@H](CC(C)C)n1cc[nH+]c1)C1CC[NH+](CC#C)CC1 ZINC001324396357 1333673867 /nfs/dbraw/zinc/67/38/67/1333673867.db2.gz OWYPGPGTQQGHDB-IBGZPJMESA-N 2 2 340.471 2.030 10 30 EEEELP C#CC[NH2+]C[C@H](NC(=O)[C@@H](CC(C)C)n1cc[nH+]c1)C1CCCC1 ZINC001324483306 1333692648 /nfs/dbraw/zinc/69/26/48/1333692648.db2.gz QLPPYHLKJLFCHZ-ZWKOTPCHSA-N 2 2 330.476 2.368 10 30 EEEELP C=CC[NH+]1CCO[C@@]2(CCN(C(=O)CC[N@@H+](C)C3CCCCC3)C2)C1 ZINC001330158645 1334788316 /nfs/dbraw/zinc/78/83/16/1334788316.db2.gz AWAJZSUOHTZZBX-FQEVSTJZSA-N 2 2 349.519 2.130 10 30 EEEELP C=CC[NH+]1CCO[C@@]2(CCN(C(=O)CC[N@H+](C)C3CCCCC3)C2)C1 ZINC001330158645 1334788319 /nfs/dbraw/zinc/78/83/19/1334788319.db2.gz AWAJZSUOHTZZBX-FQEVSTJZSA-N 2 2 349.519 2.130 10 30 EEEELP C=CC[N@@H+]1CCO[C@@]2(CCN(C(=O)CC[NH+](C)C3CCCCC3)C2)C1 ZINC001330158645 1334788321 /nfs/dbraw/zinc/78/83/21/1334788321.db2.gz AWAJZSUOHTZZBX-FQEVSTJZSA-N 2 2 349.519 2.130 10 30 EEEELP C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)CC[NH+](C)C3CCCCC3)C2)C1 ZINC001330158645 1334788325 /nfs/dbraw/zinc/78/83/25/1334788325.db2.gz AWAJZSUOHTZZBX-FQEVSTJZSA-N 2 2 349.519 2.130 10 30 EEEELP C=CCCC[N@H+]1C[C@@H]2CCCN(C(=O)[C@@H](C)Cc3c[nH]c[nH+]3)[C@@H]2C1 ZINC001501424899 1342189505 /nfs/dbraw/zinc/18/95/05/1342189505.db2.gz MVLCFJLJLVMTJG-XYJFISCASA-N 2 2 330.476 2.477 10 30 EEEELP C=CCCC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@@H](C)Cc3c[nH]c[nH+]3)[C@@H]2C1 ZINC001501424899 1342189510 /nfs/dbraw/zinc/18/95/10/1342189510.db2.gz MVLCFJLJLVMTJG-XYJFISCASA-N 2 2 330.476 2.477 10 30 EEEELP C=CCCC[N@H+]1C[C@@H]2CCCN(C(=O)[C@@H](C)Cc3c[nH+]c[nH]3)[C@@H]2C1 ZINC001501424899 1342189511 /nfs/dbraw/zinc/18/95/11/1342189511.db2.gz MVLCFJLJLVMTJG-XYJFISCASA-N 2 2 330.476 2.477 10 30 EEEELP C=CCCC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@@H](C)Cc3c[nH+]c[nH]3)[C@@H]2C1 ZINC001501424899 1342189521 /nfs/dbraw/zinc/18/95/21/1342189521.db2.gz MVLCFJLJLVMTJG-XYJFISCASA-N 2 2 330.476 2.477 10 30 EEEELP C=C(C)CC[NH2+]C[C@@H]1CCCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001566896639 1342648191 /nfs/dbraw/zinc/64/81/91/1342648191.db2.gz HVOGSAHZZCJIIF-IRXDYDNUSA-N 2 2 330.476 2.240 10 30 EEEELP C=C(C)C[NH2+]CCC[C@@H](C)NC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC001675959531 1357078483 /nfs/dbraw/zinc/07/84/83/1357078483.db2.gz ZJXZGMHVHSUTKI-AEFFLSMTSA-N 2 2 337.508 2.080 10 30 EEEELP C=C(C)C[NH2+]CCC[C@@H](C)NC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC001675959531 1357078486 /nfs/dbraw/zinc/07/84/86/1357078486.db2.gz ZJXZGMHVHSUTKI-AEFFLSMTSA-N 2 2 337.508 2.080 10 30 EEEELP C=C(C)CC[N@@H+](C)C1CCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC001676056673 1357097823 /nfs/dbraw/zinc/09/78/23/1357097823.db2.gz CFBYPVLLVHLACR-INIZCTEOSA-N 2 2 330.476 2.335 10 30 EEEELP C=C(C)CC[N@H+](C)C1CCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC001676056673 1357097825 /nfs/dbraw/zinc/09/78/25/1357097825.db2.gz CFBYPVLLVHLACR-INIZCTEOSA-N 2 2 330.476 2.335 10 30 EEEELP C=C(C)C[NH2+][C@H](CNC(=O)CCc1[nH+]ccn1C)c1ccccc1 ZINC001649444241 1353508962 /nfs/dbraw/zinc/50/89/62/1353508962.db2.gz NJRLZNTWKZCIAU-QGZVFWFLSA-N 2 2 326.444 2.376 10 30 EEEELP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](CC)Cc1ccccc1Cl ZINC001663389786 1354956552 /nfs/dbraw/zinc/95/65/52/1354956552.db2.gz ZLBKNPRLMYMYDH-SFHVURJKSA-N 2 2 347.890 2.376 10 30 EEEELP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@H+](CC)Cc1ccccc1Cl ZINC001663389786 1354956555 /nfs/dbraw/zinc/95/65/55/1354956555.db2.gz ZLBKNPRLMYMYDH-SFHVURJKSA-N 2 2 347.890 2.376 10 30 EEEELP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH+](CC)Cc1ccccc1Cl ZINC001663389786 1354956558 /nfs/dbraw/zinc/95/65/58/1354956558.db2.gz ZLBKNPRLMYMYDH-SFHVURJKSA-N 2 2 347.890 2.376 10 30 EEEELP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](CC)Cc1ccccc1Cl ZINC001663389786 1354956560 /nfs/dbraw/zinc/95/65/60/1354956560.db2.gz ZLBKNPRLMYMYDH-SFHVURJKSA-N 2 2 347.890 2.376 10 30 EEEELP C=C(C)CC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC001666295676 1355505256 /nfs/dbraw/zinc/50/52/56/1355505256.db2.gz ULIRGDVNCXZSCY-BRWVUGGUSA-N 2 2 330.476 2.429 10 30 EEEELP C=CCOCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001672539303 1356550924 /nfs/dbraw/zinc/55/09/24/1356550924.db2.gz YHBYQVGLEJRADF-KZNAEPCWSA-N 2 2 346.475 2.102 10 30 EEEELP C=CCOCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001672539303 1356550928 /nfs/dbraw/zinc/55/09/28/1356550928.db2.gz YHBYQVGLEJRADF-KZNAEPCWSA-N 2 2 346.475 2.102 10 30 EEEELP C=CCC[NH2+]C1(C)CCN(C(=O)Cc2cn3c([nH+]2)CCCC3)CC1 ZINC001673954027 1356765125 /nfs/dbraw/zinc/76/51/25/1356765125.db2.gz ZMCFJHMZZJSNAM-UHFFFAOYSA-N 2 2 330.476 2.309 10 30 EEEELP C[C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)[NH+](C)CC#Cc1ccc(F)cc1 ZINC001674949434 1356915925 /nfs/dbraw/zinc/91/59/25/1356915925.db2.gz TYCCMWMWFLLBLE-APWZRJJASA-N 2 2 345.462 2.098 10 30 EEEELP C[C@H](CNC(=O)[C@@H]1CCCC[N@H+]1C)[NH+](C)CC#Cc1ccc(F)cc1 ZINC001674949434 1356915930 /nfs/dbraw/zinc/91/59/30/1356915930.db2.gz TYCCMWMWFLLBLE-APWZRJJASA-N 2 2 345.462 2.098 10 30 EEEELP C[C@H](CNC(=O)[C@@H]1CCCC[NH+]1C)[N@H+](C)CC#Cc1ccc(F)cc1 ZINC001674949434 1356915933 /nfs/dbraw/zinc/91/59/33/1356915933.db2.gz TYCCMWMWFLLBLE-APWZRJJASA-N 2 2 345.462 2.098 10 30 EEEELP C[C@H](CNC(=O)[C@@H]1CCCC[NH+]1C)[N@@H+](C)CC#Cc1ccc(F)cc1 ZINC001674949434 1356915935 /nfs/dbraw/zinc/91/59/35/1356915935.db2.gz TYCCMWMWFLLBLE-APWZRJJASA-N 2 2 345.462 2.098 10 30 EEEELP C=CCC[C@@H](C)[NH2+]C1(CNC(=O)Cc2cn3c([nH+]2)CCCC3)CC1 ZINC001699650907 1405430627 /nfs/dbraw/zinc/43/06/27/1405430627.db2.gz GPBRJQKEPVSQEK-OAHLLOKOSA-N 2 2 330.476 2.355 10 30 EEEELP C=CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001699886539 1405552771 /nfs/dbraw/zinc/55/27/71/1405552771.db2.gz GIKIUVQCGWDRCZ-CQSZACIVSA-N 2 2 340.418 2.266 10 30 EEEELP C=CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001699886539 1405552776 /nfs/dbraw/zinc/55/27/76/1405552776.db2.gz GIKIUVQCGWDRCZ-CQSZACIVSA-N 2 2 340.418 2.266 10 30 EEEELP CC#CC[N@@H+]1CC[C@@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)CC(C)(C)C1 ZINC001566131325 1125584228 /nfs/dbraw/zinc/58/42/28/1125584228.db2.gz KHDILKFSKSIQKF-IAGOWNOFSA-N 2 2 330.476 2.464 10 30 EEEELP CC#CC[N@H+]1CC[C@@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)CC(C)(C)C1 ZINC001566131325 1125584233 /nfs/dbraw/zinc/58/42/33/1125584233.db2.gz KHDILKFSKSIQKF-IAGOWNOFSA-N 2 2 330.476 2.464 10 30 EEEELP C#CCC[N@@H+](C)C[C@@H]1CCCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001480076937 1099617695 /nfs/dbraw/zinc/61/76/95/1099617695.db2.gz GSCVOGVZLWKXFO-KRWDZBQOSA-N 2 2 338.455 2.450 10 30 EEEELP C#CCC[N@H+](C)C[C@@H]1CCCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001480076937 1099617700 /nfs/dbraw/zinc/61/77/00/1099617700.db2.gz GSCVOGVZLWKXFO-KRWDZBQOSA-N 2 2 338.455 2.450 10 30 EEEELP C=CCC[NH2+]CC[C@@H]1CCCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001495360263 1101074233 /nfs/dbraw/zinc/07/42/33/1101074233.db2.gz RUBGHHYHRRQCAG-DLBZAZTESA-N 2 2 330.476 2.240 10 30 EEEELP C=C(C)CC[N@@H+]1CC[C@@H](CCNC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001494028216 1103380885 /nfs/dbraw/zinc/38/08/85/1103380885.db2.gz APEZVBCIWOALQV-IAGOWNOFSA-N 2 2 330.476 2.240 10 30 EEEELP C=C(C)CC[N@H+]1CC[C@@H](CCNC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001494028216 1103380898 /nfs/dbraw/zinc/38/08/98/1103380898.db2.gz APEZVBCIWOALQV-IAGOWNOFSA-N 2 2 330.476 2.240 10 30 EEEELP C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@H](C(C)C)[NH+]1CCCCC1)O2 ZINC001502443089 1113685974 /nfs/dbraw/zinc/68/59/74/1113685974.db2.gz LDLUWEKJMCRAOT-ROUUACIJSA-N 2 2 349.519 2.033 10 30 EEEELP C=CCCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCc3c[nH+]cn3C2)CC1(C)C ZINC001507440484 1115270394 /nfs/dbraw/zinc/27/03/94/1115270394.db2.gz RWETXKHUJNGUOB-DOTOQJQBSA-N 2 2 330.476 2.238 10 30 EEEELP C=CCCC[N@H+]1CC[C@H]2CN(C(=O)CCc3c[nH+]cn3C)CC[C@@H]21 ZINC001568514836 1124577752 /nfs/dbraw/zinc/57/77/52/1124577752.db2.gz CLKKKYBQAJXTDO-WMZOPIPTSA-N 2 2 330.476 2.242 10 30 EEEELP C=CCCC[N@@H+]1CC[C@H]2CN(C(=O)CCc3c[nH+]cn3C)CC[C@@H]21 ZINC001568514836 1124577759 /nfs/dbraw/zinc/57/77/59/1124577759.db2.gz CLKKKYBQAJXTDO-WMZOPIPTSA-N 2 2 330.476 2.242 10 30 EEEELP C[C@H](CC[NH2+]Cc1ccc(C#N)s1)NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001568682643 1124694569 /nfs/dbraw/zinc/69/45/69/1124694569.db2.gz OIXVAEDOYAHUJY-ZIAGYGMSSA-N 2 2 345.472 2.452 10 30 EEEELP COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000154550490 533366121 /nfs/dbraw/zinc/36/61/21/533366121.db2.gz QONFUUUNTYQGEA-ROUUACIJSA-N 2 2 338.411 2.442 10 30 EEEELP COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000154550490 533366124 /nfs/dbraw/zinc/36/61/24/533366124.db2.gz QONFUUUNTYQGEA-ROUUACIJSA-N 2 2 338.411 2.442 10 30 EEEELP C[NH+]1CCN([C@H]2CCCC[N@H+](Cc3ccc(C#N)c(F)c3)C2)CC1 ZINC000192119025 160167512 /nfs/dbraw/zinc/16/75/12/160167512.db2.gz AHJXEEUAEPOVDP-SFHVURJKSA-N 2 2 330.451 2.299 10 30 EEEELP C[NH+]1CCN([C@H]2CCCC[N@@H+](Cc3ccc(C#N)c(F)c3)C2)CC1 ZINC000192119025 160167513 /nfs/dbraw/zinc/16/75/13/160167513.db2.gz AHJXEEUAEPOVDP-SFHVURJKSA-N 2 2 330.451 2.299 10 30 EEEELP COc1cc(C[NH+]2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)ccc1C#N ZINC000282203604 464734615 /nfs/dbraw/zinc/73/46/15/464734615.db2.gz GYHNWMNEEOELGZ-LJQANCHMSA-N 2 2 342.487 2.169 10 30 EEEELP COc1cc(C[NH+]2CCN(C[C@H]3CCCC[N@H+]3C)CC2)ccc1C#N ZINC000282203604 464734622 /nfs/dbraw/zinc/73/46/22/464734622.db2.gz GYHNWMNEEOELGZ-LJQANCHMSA-N 2 2 342.487 2.169 10 30 EEEELP N#Cc1ccc(OC[C@@H](O)C[NH2+]C[C@H]2CC[N@@H+]2C2CCCCC2)cc1 ZINC000600748779 468646779 /nfs/dbraw/zinc/64/67/79/468646779.db2.gz DLZOIEVQBIVRID-MOPGFXCFSA-N 2 2 343.471 2.295 10 30 EEEELP N#Cc1ccc(OC[C@@H](O)C[NH2+]C[C@H]2CC[N@H+]2C2CCCCC2)cc1 ZINC000600748779 468646786 /nfs/dbraw/zinc/64/67/86/468646786.db2.gz DLZOIEVQBIVRID-MOPGFXCFSA-N 2 2 343.471 2.295 10 30 EEEELP CC[C@H](CC#N)[NH2+]CC(=O)N1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000563367941 469237520 /nfs/dbraw/zinc/23/75/20/469237520.db2.gz YAPCGFWHJMHEBZ-FUHWJXTLSA-N 2 2 328.460 2.174 10 30 EEEELP C=CC[C@H]1CC[N@H+](CC(=O)N2CC[NH+](Cc3ccsc3)CC2)C1 ZINC000625705011 470170455 /nfs/dbraw/zinc/17/04/55/470170455.db2.gz QEEWXNMHKCUTOC-INIZCTEOSA-N 2 2 333.501 2.290 10 30 EEEELP C=CC[C@H]1CC[N@@H+](CC(=O)N2CC[NH+](Cc3ccsc3)CC2)C1 ZINC000625705011 470170456 /nfs/dbraw/zinc/17/04/56/470170456.db2.gz QEEWXNMHKCUTOC-INIZCTEOSA-N 2 2 333.501 2.290 10 30 EEEELP CCOC(=O)C1C/C(=C\c2[nH]cc[nH+]2)C(=O)/C(=C/c2[nH]cc[nH+]2)C1 ZINC000731159891 577083664 /nfs/dbraw/zinc/08/36/64/577083664.db2.gz YJNNEQGZTRPRLA-WGDLNXRISA-N 2 2 326.356 2.142 10 30 EEEELP CC[C@@H]([NH2+]C[C@H](C)N1CC[NH+](CC)CC1)c1cccc(C#N)c1O ZINC000924674167 693138449 /nfs/dbraw/zinc/13/84/49/693138449.db2.gz YHTZWEUIOSOSML-MAUKXSAKSA-N 2 2 330.476 2.331 10 30 EEEELP CCCCCCC[N@H+]1C[C@H]2CN(C(=O)Cc3c[nH+]cn3C)C[C@H]2C1 ZINC001279409787 1176581023 /nfs/dbraw/zinc/58/10/23/1176581023.db2.gz MGCGGKYWHCDNAW-CALCHBBNSA-N 2 2 332.492 2.323 10 30 EEEELP CCCCCCC[N@@H+]1C[C@H]2CN(C(=O)Cc3c[nH+]cn3C)C[C@H]2C1 ZINC001279409787 1176581030 /nfs/dbraw/zinc/58/10/30/1176581030.db2.gz MGCGGKYWHCDNAW-CALCHBBNSA-N 2 2 332.492 2.323 10 30 EEEELP O=C(CC[NH+]1CCCCC1)NC[C@@H]1CC[N@@H+]1CC#Cc1ccccc1 ZINC001269349058 1184197161 /nfs/dbraw/zinc/19/71/61/1184197161.db2.gz AFRKLQAJZSXGNN-FQEVSTJZSA-N 2 2 339.483 2.105 10 30 EEEELP O=C(CC[NH+]1CCCCC1)NC[C@@H]1CC[N@H+]1CC#Cc1ccccc1 ZINC001269349058 1184197163 /nfs/dbraw/zinc/19/71/63/1184197163.db2.gz AFRKLQAJZSXGNN-FQEVSTJZSA-N 2 2 339.483 2.105 10 30 EEEELP C=CCC[C@@H](C)[NH+]1CC(N(C)C(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC001269838663 1184657704 /nfs/dbraw/zinc/65/77/04/1184657704.db2.gz HXZUHBMUSSNXNM-APWZRJJASA-N 2 2 349.519 2.127 10 30 EEEELP C=CCC[C@@H](C)[NH+]1CC(N(C)C(=O)[C@@H]2COCC[N@H+]2C2CCCC2)C1 ZINC001269838663 1184657708 /nfs/dbraw/zinc/65/77/08/1184657708.db2.gz HXZUHBMUSSNXNM-APWZRJJASA-N 2 2 349.519 2.127 10 30 EEEELP Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C)C[NH2+]CC#Cc1ccccc1Cl ZINC001483287266 1190311540 /nfs/dbraw/zinc/31/15/40/1190311540.db2.gz ORPSIJRBKNRGIB-ZDUSSCGKSA-N 2 2 344.846 2.060 10 30 EEEELP C=CC[N@H+](CC1CC1)C1CCN(C(=O)CCc2[nH+]ccn2C)CC1 ZINC001483816823 1191061165 /nfs/dbraw/zinc/06/11/65/1191061165.db2.gz PEDAFVWAFLVFRL-UHFFFAOYSA-N 2 2 330.476 2.242 10 30 EEEELP C=CC[N@@H+](CC1CC1)C1CCN(C(=O)CCc2[nH+]ccn2C)CC1 ZINC001483816823 1191061167 /nfs/dbraw/zinc/06/11/67/1191061167.db2.gz PEDAFVWAFLVFRL-UHFFFAOYSA-N 2 2 330.476 2.242 10 30 EEEELP C=CCC[C@@H](C)[N@H+]1C[C@H]2CN(C(=O)[C@H](C)Cc3c[nH]c[nH+]3)C[C@H]2C1 ZINC001484411771 1191339211 /nfs/dbraw/zinc/33/92/11/1191339211.db2.gz UECYYBDZFDWIPM-VQHPVUNQSA-N 2 2 330.476 2.333 10 30 EEEELP C=CCC[C@@H](C)[N@@H+]1C[C@H]2CN(C(=O)[C@H](C)Cc3c[nH]c[nH+]3)C[C@H]2C1 ZINC001484411771 1191339212 /nfs/dbraw/zinc/33/92/12/1191339212.db2.gz UECYYBDZFDWIPM-VQHPVUNQSA-N 2 2 330.476 2.333 10 30 EEEELP C=CCC[C@@H](C)[N@H+]1C[C@H]2CN(C(=O)[C@H](C)Cc3c[nH+]c[nH]3)C[C@H]2C1 ZINC001484411771 1191339214 /nfs/dbraw/zinc/33/92/14/1191339214.db2.gz UECYYBDZFDWIPM-VQHPVUNQSA-N 2 2 330.476 2.333 10 30 EEEELP C=CCC[C@@H](C)[N@@H+]1C[C@H]2CN(C(=O)[C@H](C)Cc3c[nH+]c[nH]3)C[C@H]2C1 ZINC001484411771 1191339216 /nfs/dbraw/zinc/33/92/16/1191339216.db2.gz UECYYBDZFDWIPM-VQHPVUNQSA-N 2 2 330.476 2.333 10 30 EEEELP C=CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001484826016 1191544006 /nfs/dbraw/zinc/54/40/06/1191544006.db2.gz ZXAQOJPGMUPYOF-OALUTQOASA-N 2 2 329.488 2.302 10 30 EEEELP C=CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001484826016 1191544008 /nfs/dbraw/zinc/54/40/08/1191544008.db2.gz ZXAQOJPGMUPYOF-OALUTQOASA-N 2 2 329.488 2.302 10 30 EEEELP C#CC[NH2+][C@H](C)c1ccc(CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC001272693027 1191588499 /nfs/dbraw/zinc/58/84/99/1191588499.db2.gz ZTNRCHBHAXYFIX-CRAIPNDOSA-N 2 2 336.439 2.046 10 30 EEEELP C=CCC[C@H](C)[NH2+]CC1(NC(=O)[C@@H]2C[N@H+](C)CCO2)CCCCC1 ZINC001485447601 1191793688 /nfs/dbraw/zinc/79/36/88/1191793688.db2.gz BCTOERCLTYNGFU-IRXDYDNUSA-N 2 2 337.508 2.080 10 30 EEEELP C=CCC[C@H](C)[NH2+]CC1(NC(=O)[C@@H]2C[N@@H+](C)CCO2)CCCCC1 ZINC001485447601 1191793689 /nfs/dbraw/zinc/79/36/89/1191793689.db2.gz BCTOERCLTYNGFU-IRXDYDNUSA-N 2 2 337.508 2.080 10 30 EEEELP C[C@@H]([NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1cccc(C#N)c1O ZINC000866264861 1201479805 /nfs/dbraw/zinc/47/98/05/1201479805.db2.gz FPYCJTYOTPJJHU-GDBMZVCRSA-N 2 2 328.460 2.083 10 30 EEEELP C=CC[C@@H]1CC[N@@H+]1CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000934471201 1207968488 /nfs/dbraw/zinc/96/84/88/1207968488.db2.gz SQLZQKCGWOJJAY-GOSISDBHSA-N 2 2 329.444 2.108 10 30 EEEELP C=CC[C@@H]1CC[N@H+]1CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000934471201 1207968493 /nfs/dbraw/zinc/96/84/93/1207968493.db2.gz SQLZQKCGWOJJAY-GOSISDBHSA-N 2 2 329.444 2.108 10 30 EEEELP COC(=O)C1=CC[C@@H]([NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000858471433 1294126652 /nfs/dbraw/zinc/12/66/52/1294126652.db2.gz BUACUSGECQIZBW-LJQANCHMSA-N 2 2 339.439 2.374 10 30 EEEELP C=CC[N@@H+](CCOC)C1CCN(C(=O)c2cccc3[nH+]ccn32)CC1 ZINC001277405519 1302902782 /nfs/dbraw/zinc/90/27/82/1302902782.db2.gz WYROIFDHRNBLHR-UHFFFAOYSA-N 2 2 342.443 2.073 10 30 EEEELP C=CC[N@H+](CCOC)C1CCN(C(=O)c2cccc3[nH+]ccn32)CC1 ZINC001277405519 1302902786 /nfs/dbraw/zinc/90/27/86/1302902786.db2.gz WYROIFDHRNBLHR-UHFFFAOYSA-N 2 2 342.443 2.073 10 30 EEEELP C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCn4cc[nH+]c4C3)C[C@@H]2C1 ZINC001264646204 1322765104 /nfs/dbraw/zinc/76/51/04/1322765104.db2.gz FVQYNPLTJHVEND-KURKYZTESA-N 2 2 342.487 2.192 10 30 EEEELP C=CCCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCn4cc[nH+]c4C3)C[C@@H]2C1 ZINC001264646204 1322765106 /nfs/dbraw/zinc/76/51/06/1322765106.db2.gz FVQYNPLTJHVEND-KURKYZTESA-N 2 2 342.487 2.192 10 30 EEEELP C#CC[NH2+]C1(CNC(=O)[C@@H]2C[C@H]2C)CC[NH+](Cc2ccccc2)CC1 ZINC001279170406 1323843973 /nfs/dbraw/zinc/84/39/73/1323843973.db2.gz CTXQSMSLGPAKEC-IEBWSBKVSA-N 2 2 339.483 2.016 10 30 EEEELP C[C@@H](CNC(=O)Cn1cc[nH+]c1)[N@H+](C)CC#Cc1ccc(Cl)cc1 ZINC001282504554 1325734511 /nfs/dbraw/zinc/73/45/11/1325734511.db2.gz QCNBHGPIODJYCI-HNNXBMFYSA-N 2 2 344.846 2.025 10 30 EEEELP C[C@@H](CNC(=O)Cn1cc[nH+]c1)[N@@H+](C)CC#Cc1ccc(Cl)cc1 ZINC001282504554 1325734513 /nfs/dbraw/zinc/73/45/13/1325734513.db2.gz QCNBHGPIODJYCI-HNNXBMFYSA-N 2 2 344.846 2.025 10 30 EEEELP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCCCCF)CC1(C)C ZINC001282812742 1325794921 /nfs/dbraw/zinc/79/49/21/1325794921.db2.gz YJYGSQHDPJYTBJ-DLBZAZTESA-N 2 2 337.483 2.050 10 30 EEEELP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCCCCF)CC1(C)C ZINC001282812742 1325794924 /nfs/dbraw/zinc/79/49/24/1325794924.db2.gz YJYGSQHDPJYTBJ-DLBZAZTESA-N 2 2 337.483 2.050 10 30 EEEELP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCCCCF)CC1(C)C ZINC001282812742 1325794929 /nfs/dbraw/zinc/79/49/29/1325794929.db2.gz YJYGSQHDPJYTBJ-DLBZAZTESA-N 2 2 337.483 2.050 10 30 EEEELP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCCCCF)CC1(C)C ZINC001282812742 1325794931 /nfs/dbraw/zinc/79/49/31/1325794931.db2.gz YJYGSQHDPJYTBJ-DLBZAZTESA-N 2 2 337.483 2.050 10 30 EEEELP C[NH+](C)CCC(=O)N1CCC[C@@H]([N@H+](C)Cc2cc(F)ccc2C#N)C1 ZINC001491946654 1330338179 /nfs/dbraw/zinc/33/81/79/1330338179.db2.gz GROHMOSQIKESIY-GOSISDBHSA-N 2 2 346.450 2.072 10 30 EEEELP C[NH+](C)CCC(=O)N1CCC[C@@H]([N@@H+](C)Cc2cc(F)ccc2C#N)C1 ZINC001491946654 1330338184 /nfs/dbraw/zinc/33/81/84/1330338184.db2.gz GROHMOSQIKESIY-GOSISDBHSA-N 2 2 346.450 2.072 10 30 EEEELP C=C(C)C[N@@H+]1CCC[C@@H]1CCCNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001492159871 1331023643 /nfs/dbraw/zinc/02/36/43/1331023643.db2.gz KUCFPMIVBNXQAE-IRXDYDNUSA-N 2 2 330.476 2.382 10 30 EEEELP C=C(C)C[N@H+]1CCC[C@@H]1CCCNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001492159871 1331023649 /nfs/dbraw/zinc/02/36/49/1331023649.db2.gz KUCFPMIVBNXQAE-IRXDYDNUSA-N 2 2 330.476 2.382 10 30 EEEELP C#CC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CC[C@@H](Nc3cccc[nH+]3)CC2)C1 ZINC001303558938 1331359185 /nfs/dbraw/zinc/35/91/85/1331359185.db2.gz PKLGTHWUZCSNOA-FGTMMUONSA-N 2 2 340.471 2.266 10 30 EEEELP C#CC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CC[C@@H](Nc3cccc[nH+]3)CC2)C1 ZINC001303558938 1331359188 /nfs/dbraw/zinc/35/91/88/1331359188.db2.gz PKLGTHWUZCSNOA-FGTMMUONSA-N 2 2 340.471 2.266 10 30 EEEELP C=CCC[NH2+][C@@H]1CCCCCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001316774963 1331887049 /nfs/dbraw/zinc/88/70/49/1331887049.db2.gz XRQFRGABWWJDMZ-IAGOWNOFSA-N 2 2 330.476 2.382 10 30 EEEELP C=CCCC[NH2+]C[C@H]1CCCCN1C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001317188587 1332122282 /nfs/dbraw/zinc/12/22/82/1332122282.db2.gz KYSVWVUFLPUZNP-SJLPKXTDSA-N 2 2 330.476 2.382 10 30 EEEELP Cc1[nH+]c[nH]c1CC(=O)NC[C@H](C)[NH2+]CC#Cc1cccc(Cl)c1 ZINC001317282263 1332164081 /nfs/dbraw/zinc/16/40/81/1332164081.db2.gz BAPIKRQQRPDHTM-ZDUSSCGKSA-N 2 2 344.846 2.060 10 30 EEEELP C=C(Br)C[NH2+]C/C=C/CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001321272131 1333060367 /nfs/dbraw/zinc/06/03/67/1333060367.db2.gz RSWHLORBIMCBFF-OOPCZODUSA-N 2 2 341.253 2.005 10 30 EEEELP C=CCC[C@@H](C)[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CCc4c[nH+]cn4C3)C[C@H]2C1 ZINC001325752663 1333953979 /nfs/dbraw/zinc/95/39/79/1333953979.db2.gz DNNXNQUGQMWMBY-TVFCKZIOSA-N 2 2 342.487 2.190 10 30 EEEELP C=CCC[C@@H](C)[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CCc4c[nH+]cn4C3)C[C@H]2C1 ZINC001325752663 1333953982 /nfs/dbraw/zinc/95/39/82/1333953982.db2.gz DNNXNQUGQMWMBY-TVFCKZIOSA-N 2 2 342.487 2.190 10 30 EEEELP CCN(CC[NH2+]Cc1ccc(C#N)s1)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001668569988 1355964450 /nfs/dbraw/zinc/96/44/50/1355964450.db2.gz JMGGEEYHPJQDDW-CQSZACIVSA-N 2 2 345.472 2.406 10 30 EEEELP C=CCCC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001567192765 1342708939 /nfs/dbraw/zinc/70/89/39/1342708939.db2.gz GPUOKPVZXCLWTA-DLBZAZTESA-N 2 2 330.476 2.335 10 30 EEEELP C=CCCC[N@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001567192765 1342708943 /nfs/dbraw/zinc/70/89/43/1342708943.db2.gz GPUOKPVZXCLWTA-DLBZAZTESA-N 2 2 330.476 2.335 10 30 EEEELP C=C(C)CC[N@H+](CCCNC(=O)[C@@H]1CCn2cc[nH+]c2C1)C1CC1 ZINC001660699834 1354519487 /nfs/dbraw/zinc/51/94/87/1354519487.db2.gz QTFGCULNBFJADC-MRXNPFEDSA-N 2 2 330.476 2.382 10 30 EEEELP C=C(C)CC[N@@H+](CCCNC(=O)[C@@H]1CCn2cc[nH+]c2C1)C1CC1 ZINC001660699834 1354519489 /nfs/dbraw/zinc/51/94/89/1354519489.db2.gz QTFGCULNBFJADC-MRXNPFEDSA-N 2 2 330.476 2.382 10 30 EEEELP C[C@H](CNC(=O)C[C@@H](C)n1cc[nH+]c1)[NH2+]CC#Cc1ccc(F)cc1 ZINC001662350156 1354784366 /nfs/dbraw/zinc/78/43/66/1354784366.db2.gz IBAJJHBGIKEXKN-HZPDHXFCSA-N 2 2 342.418 2.119 10 30 EEEELP C=CCC[NH2+][C@@H](C)C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001664457930 1355169574 /nfs/dbraw/zinc/16/95/74/1355169574.db2.gz WLWANZFZIFRMPL-USXIJHARSA-N 2 2 330.476 2.316 10 30 EEEELP C=C(C)C[NH2+][C@H](CNC(=O)[C@@H]1CCc2c[nH+]cn2C1)c1ccccc1 ZINC001664583799 1355197033 /nfs/dbraw/zinc/19/70/33/1355197033.db2.gz VUDBHQUUWWKEJL-IEBWSBKVSA-N 2 2 338.455 2.469 10 30 EEEELP C=C(C)CC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)Cc1c[nH+]ccc1OC ZINC001667733477 1355801098 /nfs/dbraw/zinc/80/10/98/1355801098.db2.gz IQDYRMLKODHIPJ-DOTOQJQBSA-N 2 2 331.460 2.473 10 30 EEEELP C=C(C)CC[NH2+]C[C@@]1(C)CCN(C(=O)Cc2c[nH+]ccc2OC)C1 ZINC001671753306 1356407775 /nfs/dbraw/zinc/40/77/75/1356407775.db2.gz ORDLHRJHOAOMTD-LJQANCHMSA-N 2 2 331.460 2.427 10 30 EEEELP C#CC[N@H+]1CCCN(C(=O)c2ccc(C[NH+]3CCCCC3)o2)CC1 ZINC001147291030 791783383 /nfs/dbraw/zinc/78/33/83/791783383.db2.gz FNVZEXWJEZGJFP-UHFFFAOYSA-N 2 2 329.444 2.047 10 30 EEEELP C#CC[N@@H+]1CCCN(C(=O)c2ccc(C[NH+]3CCCCC3)o2)CC1 ZINC001147291030 791783385 /nfs/dbraw/zinc/78/33/85/791783385.db2.gz FNVZEXWJEZGJFP-UHFFFAOYSA-N 2 2 329.444 2.047 10 30 EEEELP CC[C@@H](C(=O)N[C@H]1CC[N@H+](Cc2ccc(F)c(C#N)c2)[C@@H]1C)[NH+](C)C ZINC001436486034 1087980131 /nfs/dbraw/zinc/98/01/31/1087980131.db2.gz WCFWDFSTHFAZNI-BVGQSLNGSA-N 2 2 346.450 2.117 10 30 EEEELP CC[C@@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccc(F)c(C#N)c2)[C@@H]1C)[NH+](C)C ZINC001436486034 1087980137 /nfs/dbraw/zinc/98/01/37/1087980137.db2.gz WCFWDFSTHFAZNI-BVGQSLNGSA-N 2 2 346.450 2.117 10 30 EEEELP C=CCCC[NH2+]C[C@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001480361541 1100134903 /nfs/dbraw/zinc/13/49/03/1100134903.db2.gz QFXDRFPGEAGMCG-BRWVUGGUSA-N 2 2 330.476 2.461 10 30 EEEELP C#CCN(C(=O)Cc1c[nH+]cn1C)C1CC[NH+](CC2CCCC2)CC1 ZINC001500054559 1112595106 /nfs/dbraw/zinc/59/51/06/1112595106.db2.gz QNVSCZFOMVPHNK-UHFFFAOYSA-N 2 2 342.487 2.079 10 30 EEEELP CC#CC[N@@H+]1CC[C@H]([C@H]2CCCN(C(=O)CCCn3cc[nH+]c3)C2)C1 ZINC001505473226 1114010438 /nfs/dbraw/zinc/01/04/38/1114010438.db2.gz QTCCEDHIPPHOTP-OALUTQOASA-N 2 2 342.487 2.247 10 30 EEEELP CC#CC[N@H+]1CC[C@H]([C@H]2CCCN(C(=O)CCCn3cc[nH+]c3)C2)C1 ZINC001505473226 1114010442 /nfs/dbraw/zinc/01/04/42/1114010442.db2.gz QTCCEDHIPPHOTP-OALUTQOASA-N 2 2 342.487 2.247 10 30 EEEELP C=CCCC[NH+](C)[C@H](C)CNC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC001505986233 1114322057 /nfs/dbraw/zinc/32/20/57/1114322057.db2.gz SCJIMLFPBRQCKJ-SJLPKXTDSA-N 2 2 337.508 2.033 10 30 EEEELP C=CCCC[NH+](C)[C@H](C)CNC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC001505986233 1114322061 /nfs/dbraw/zinc/32/20/61/1114322061.db2.gz SCJIMLFPBRQCKJ-SJLPKXTDSA-N 2 2 337.508 2.033 10 30 EEEELP C=CCCC[N@@H+](C)[C@H](C)CNC(=O)[C@H]1COCC[NH+]1C1CCCC1 ZINC001505986233 1114322065 /nfs/dbraw/zinc/32/20/65/1114322065.db2.gz SCJIMLFPBRQCKJ-SJLPKXTDSA-N 2 2 337.508 2.033 10 30 EEEELP C=CCCC[N@H+](C)[C@H](C)CNC(=O)[C@H]1COCC[NH+]1C1CCCC1 ZINC001505986233 1114322070 /nfs/dbraw/zinc/32/20/70/1114322070.db2.gz SCJIMLFPBRQCKJ-SJLPKXTDSA-N 2 2 337.508 2.033 10 30 EEEELP C=CCCC[N@H+]1CCC[C@H](NC(=O)c2cc(C[NH+](C)C)on2)[C@@H]1C ZINC001507377026 1115236215 /nfs/dbraw/zinc/23/62/15/1115236215.db2.gz RNOGHJXZGNCGTB-HOCLYGCPSA-N 2 2 334.464 2.285 10 30 EEEELP C=CCCC[N@@H+]1CCC[C@H](NC(=O)c2cc(C[NH+](C)C)on2)[C@@H]1C ZINC001507377026 1115236219 /nfs/dbraw/zinc/23/62/19/1115236219.db2.gz RNOGHJXZGNCGTB-HOCLYGCPSA-N 2 2 334.464 2.285 10 30 EEEELP CC[C@H](CNC(=O)Cn1cc[nH+]c1)[NH2+]CC#Cc1cccc(Cl)c1 ZINC001567990332 1124219136 /nfs/dbraw/zinc/21/91/36/1124219136.db2.gz FJHOIBYBYZOBHJ-QGZVFWFLSA-N 2 2 344.846 2.073 10 30 EEEELP C=CC[NH2+]C[C@H](NC(=O)[C@@H]1CCn2c[nH+]cc2C1)C1CCCCC1 ZINC001568343131 1124427726 /nfs/dbraw/zinc/42/77/26/1124427726.db2.gz BXVNVQYYGQTNGG-AEFFLSMTSA-N 2 2 330.476 2.286 10 30 EEEELP CC#CC[NH2+]C[C@H]1CCC[C@H]1NC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC001568538018 1124599744 /nfs/dbraw/zinc/59/97/44/1124599744.db2.gz VTUWAAMPMOQKOK-SJLPKXTDSA-N 2 2 338.455 2.083 10 30 EEEELP C=C(C)CC[NH2+][C@H]1C[C@H](CNC(=O)c2cc([C@@H]3CCC[N@H+]3C)n[nH]2)C1 ZINC001565866032 1125443205 /nfs/dbraw/zinc/44/32/05/1125443205.db2.gz VWKBZIBMUCTIRT-MPGHIAIKSA-N 2 2 345.491 2.241 10 30 EEEELP C=C(C)CC[NH2+][C@H]1C[C@H](CNC(=O)c2cc([C@@H]3CCC[N@@H+]3C)n[nH]2)C1 ZINC001565866032 1125443211 /nfs/dbraw/zinc/44/32/11/1125443211.db2.gz VWKBZIBMUCTIRT-MPGHIAIKSA-N 2 2 345.491 2.241 10 30 EEEELP Cc1cnn(CC(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)c1 ZINC000329541247 465367075 /nfs/dbraw/zinc/36/70/75/465367075.db2.gz DHPUXUFRUFTHNY-UHFFFAOYSA-N 2 2 333.480 2.098 10 30 EEEELP COc1ccc(C[NH+]2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)cc1C#N ZINC000135061505 463114042 /nfs/dbraw/zinc/11/40/42/463114042.db2.gz XWNYVWJVXQZRIM-LJQANCHMSA-N 2 2 342.487 2.169 10 30 EEEELP COc1ccc(C[NH+]2CCN(C[C@H]3CCCC[N@H+]3C)CC2)cc1C#N ZINC000135061505 463114047 /nfs/dbraw/zinc/11/40/47/463114047.db2.gz XWNYVWJVXQZRIM-LJQANCHMSA-N 2 2 342.487 2.169 10 30 EEEELP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)N(C)C2(C#N)CCCCC2)[C@H](C)C1 ZINC000081096610 463394598 /nfs/dbraw/zinc/39/45/98/463394598.db2.gz LJBLOHKJXMQNQA-SJORKVTESA-N 2 2 334.508 2.333 10 30 EEEELP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)N(C)C2(C#N)CCCCC2)[C@H](C)C1 ZINC000081096610 463394605 /nfs/dbraw/zinc/39/46/05/463394605.db2.gz LJBLOHKJXMQNQA-SJORKVTESA-N 2 2 334.508 2.333 10 30 EEEELP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)N(C)C2(C#N)CCCCC2)[C@H](C)C1 ZINC000081096610 463394607 /nfs/dbraw/zinc/39/46/07/463394607.db2.gz LJBLOHKJXMQNQA-SJORKVTESA-N 2 2 334.508 2.333 10 30 EEEELP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)N(C)C2(C#N)CCCCC2)[C@H](C)C1 ZINC000081096610 463394614 /nfs/dbraw/zinc/39/46/14/463394614.db2.gz LJBLOHKJXMQNQA-SJORKVTESA-N 2 2 334.508 2.333 10 30 EEEELP CNc1cc(N2CCC[C@H]2C[NH2+]Cc2cc(C#N)cs2)nc[nH+]1 ZINC000177697483 463769681 /nfs/dbraw/zinc/76/96/81/463769681.db2.gz YTPHHQQINWCSAY-ZDUSSCGKSA-N 2 2 328.445 2.210 10 30 EEEELP C[C@@H]1C[C@H]([NH+](C)[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC[N@@H+]1C ZINC000248763679 464797830 /nfs/dbraw/zinc/79/78/30/464797830.db2.gz RGPNHZCHSWCDCZ-LZQZEXGQSA-N 2 2 340.471 2.468 10 30 EEEELP C[C@@H]1C[C@H]([NH+](C)[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC[N@H+]1C ZINC000248763679 464797836 /nfs/dbraw/zinc/79/78/36/464797836.db2.gz RGPNHZCHSWCDCZ-LZQZEXGQSA-N 2 2 340.471 2.468 10 30 EEEELP C[C@@H]1C[C@H]([N@H+](C)[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC[NH+]1C ZINC000248763679 464797840 /nfs/dbraw/zinc/79/78/40/464797840.db2.gz RGPNHZCHSWCDCZ-LZQZEXGQSA-N 2 2 340.471 2.468 10 30 EEEELP C[C@@H]1C[C@H]([N@@H+](C)[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC[NH+]1C ZINC000248763679 464797847 /nfs/dbraw/zinc/79/78/47/464797847.db2.gz RGPNHZCHSWCDCZ-LZQZEXGQSA-N 2 2 340.471 2.468 10 30 EEEELP C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)NCc1[nH+]ccn1CC(F)(F)F ZINC000331291454 466017101 /nfs/dbraw/zinc/01/71/01/466017101.db2.gz PLPZHXJNIAVVCG-VXGBXAGGSA-N 2 2 347.385 2.131 10 30 EEEELP C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)NCc1[nH+]ccn1CC(F)(F)F ZINC000331291454 466017107 /nfs/dbraw/zinc/01/71/07/466017107.db2.gz PLPZHXJNIAVVCG-VXGBXAGGSA-N 2 2 347.385 2.131 10 30 EEEELP N#CC1(c2ccc(C[NH+]3CCC([N@@H+]4CC[C@H](O)C4)CC3)cc2)CC1 ZINC000597237074 468490458 /nfs/dbraw/zinc/49/04/58/468490458.db2.gz WQXIXISGEPSLOH-IBGZPJMESA-N 2 2 325.456 2.273 10 30 EEEELP N#CC1(c2ccc(C[NH+]3CCC([N@H+]4CC[C@H](O)C4)CC3)cc2)CC1 ZINC000597237074 468490459 /nfs/dbraw/zinc/49/04/59/468490459.db2.gz WQXIXISGEPSLOH-IBGZPJMESA-N 2 2 325.456 2.273 10 30 EEEELP C[C@H](C[NH2+]C[C@H](O)CC1(C#N)CCOCC1)[N@H+](C)Cc1ccccc1 ZINC000600724152 468636272 /nfs/dbraw/zinc/63/62/72/468636272.db2.gz FUDDSDDSFTWNGA-IEBWSBKVSA-N 2 2 345.487 2.168 10 30 EEEELP C[C@H](C[NH2+]C[C@H](O)CC1(C#N)CCOCC1)[N@@H+](C)Cc1ccccc1 ZINC000600724152 468636275 /nfs/dbraw/zinc/63/62/75/468636275.db2.gz FUDDSDDSFTWNGA-IEBWSBKVSA-N 2 2 345.487 2.168 10 30 EEEELP N#Cc1ccc(C[NH+]2CCC([NH2+][C@@H]3C[C@@H](O)C34CCC4)CC2)cc1 ZINC000594990344 468739373 /nfs/dbraw/zinc/73/93/73/468739373.db2.gz XJGPQMXJCSDWMP-RTBURBONSA-N 2 2 325.456 2.416 10 30 EEEELP C=CC[C@@]1(C(=O)N2CC[NH+](Cc3ccccc3C)CC2)CCC[NH2+]1 ZINC000662666340 472195651 /nfs/dbraw/zinc/19/56/51/472195651.db2.gz KYQUKVGLQSNCCO-FQEVSTJZSA-N 2 2 327.472 2.338 10 30 EEEELP CC[C@@H]([NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)c1cccc(C#N)c1O ZINC000925042098 682665581 /nfs/dbraw/zinc/66/55/81/682665581.db2.gz RSCJUZYGTXOBOJ-QFBILLFUSA-N 2 2 342.487 2.473 10 30 EEEELP C=CCC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)CCc3c[nH+]cn3C)C[C@@H]2C1 ZINC001485656419 1191874830 /nfs/dbraw/zinc/87/48/30/1191874830.db2.gz CSUZQIBYEVYYMB-GVDBMIGSSA-N 2 2 330.476 2.146 10 30 EEEELP C=CCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)CCc3c[nH+]cn3C)C[C@@H]2C1 ZINC001485656419 1191874832 /nfs/dbraw/zinc/87/48/32/1191874832.db2.gz CSUZQIBYEVYYMB-GVDBMIGSSA-N 2 2 330.476 2.146 10 30 EEEELP C#CCC[NH2+][C@@H]1CCC[C@H](NC(=O)Cc2cn3cccc(C)c3[nH+]2)C1 ZINC001772514416 1176493977 /nfs/dbraw/zinc/49/39/77/1176493977.db2.gz JPUOALFVVDFSRF-SJORKVTESA-N 2 2 338.455 2.226 10 30 EEEELP C=CCCCCC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001670662376 1176978998 /nfs/dbraw/zinc/97/89/98/1176978998.db2.gz PMROEZOLPNEGTI-FUHWJXTLSA-N 2 2 330.476 2.382 10 30 EEEELP C=CCCCCC[N@H+]1CC[C@@H]1CNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001670662376 1176979006 /nfs/dbraw/zinc/97/90/06/1176979006.db2.gz PMROEZOLPNEGTI-FUHWJXTLSA-N 2 2 330.476 2.382 10 30 EEEELP C=CCC[C@H](C)[NH2+]CCN(C)C(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC001267420220 1178986419 /nfs/dbraw/zinc/98/64/19/1178986419.db2.gz WCDCBBZFCRYZQJ-WMZOPIPTSA-N 2 2 337.508 2.033 10 30 EEEELP C=CCC[C@H](C)[NH2+]CCN(C)C(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC001267420220 1178986421 /nfs/dbraw/zinc/98/64/21/1178986421.db2.gz WCDCBBZFCRYZQJ-WMZOPIPTSA-N 2 2 337.508 2.033 10 30 EEEELP C=C(C)C[NH+]1CCC(CCNC(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC001267944777 1180803200 /nfs/dbraw/zinc/80/32/00/1180803200.db2.gz LGKFCNKGBZBFPP-QGZVFWFLSA-N 2 2 330.476 2.240 10 30 EEEELP C=CCC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)Cc2c[nH+]ccc2OC)C1 ZINC001268171475 1181942673 /nfs/dbraw/zinc/94/26/73/1181942673.db2.gz OCZZZZZQWPVNHJ-HZPDHXFCSA-N 2 2 331.460 2.426 10 30 EEEELP C=C(C)CC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC001482061289 1183270456 /nfs/dbraw/zinc/27/04/56/1183270456.db2.gz BIYFKAWGPBFMIW-MOPGFXCFSA-N 2 2 349.519 2.177 10 30 EEEELP C=C(C)CC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC001482061289 1183270463 /nfs/dbraw/zinc/27/04/63/1183270463.db2.gz BIYFKAWGPBFMIW-MOPGFXCFSA-N 2 2 349.519 2.177 10 30 EEEELP C=C(C)C[NH2+]C[C@H](CC(C)C)NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001271261377 1186110592 /nfs/dbraw/zinc/11/05/92/1186110592.db2.gz JPUHBIKNQDTVNU-INIZCTEOSA-N 2 2 332.492 2.459 10 30 EEEELP C[C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)[NH+](C)Cc1ccc(C#N)cc1F ZINC001409589987 1190071166 /nfs/dbraw/zinc/07/11/66/1190071166.db2.gz NTTXTFYVKIMYLI-KSSFIOAISA-N 2 2 346.450 2.118 10 30 EEEELP C[C@@H](CNC(=O)[C@@H]1CCCC[N@H+]1C)[NH+](C)Cc1ccc(C#N)cc1F ZINC001409589987 1190071171 /nfs/dbraw/zinc/07/11/71/1190071171.db2.gz NTTXTFYVKIMYLI-KSSFIOAISA-N 2 2 346.450 2.118 10 30 EEEELP C[C@@H](CNC(=O)[C@@H]1CCCC[NH+]1C)[N@H+](C)Cc1ccc(C#N)cc1F ZINC001409589987 1190071176 /nfs/dbraw/zinc/07/11/76/1190071176.db2.gz NTTXTFYVKIMYLI-KSSFIOAISA-N 2 2 346.450 2.118 10 30 EEEELP C[C@@H](CNC(=O)[C@@H]1CCCC[NH+]1C)[N@@H+](C)Cc1ccc(C#N)cc1F ZINC001409589987 1190071181 /nfs/dbraw/zinc/07/11/81/1190071181.db2.gz NTTXTFYVKIMYLI-KSSFIOAISA-N 2 2 346.450 2.118 10 30 EEEELP C=CCOCC[NH+]1CC(N(C)C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001483876043 1191104083 /nfs/dbraw/zinc/10/40/83/1191104083.db2.gz PZXGXNPOYWFYOE-LJQANCHMSA-N 2 2 349.519 2.129 10 30 EEEELP C=CCOCC[NH+]1CC(N(C)C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001483876043 1191104084 /nfs/dbraw/zinc/10/40/84/1191104084.db2.gz PZXGXNPOYWFYOE-LJQANCHMSA-N 2 2 349.519 2.129 10 30 EEEELP CC[N@H+](C)CCC(=O)N[C@@]1(C)CC[NH+](Cc2cc(F)ccc2C#N)C1 ZINC001484065687 1191185530 /nfs/dbraw/zinc/18/55/30/1191185530.db2.gz YIKJKGMXSZWGIY-IBGZPJMESA-N 2 2 346.450 2.120 10 30 EEEELP CC[N@@H+](C)CCC(=O)N[C@@]1(C)CC[NH+](Cc2cc(F)ccc2C#N)C1 ZINC001484065687 1191185533 /nfs/dbraw/zinc/18/55/33/1191185533.db2.gz YIKJKGMXSZWGIY-IBGZPJMESA-N 2 2 346.450 2.120 10 30 EEEELP CC[NH+](C)CCC(=O)N[C@@]1(C)CC[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC001484065687 1191185534 /nfs/dbraw/zinc/18/55/34/1191185534.db2.gz YIKJKGMXSZWGIY-IBGZPJMESA-N 2 2 346.450 2.120 10 30 EEEELP CC[NH+](C)CCC(=O)N[C@@]1(C)CC[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC001484065687 1191185537 /nfs/dbraw/zinc/18/55/37/1191185537.db2.gz YIKJKGMXSZWGIY-IBGZPJMESA-N 2 2 346.450 2.120 10 30 EEEELP C=CCC[N@H+]1CCC[C@@](C)(CNC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001484162518 1191250773 /nfs/dbraw/zinc/25/07/73/1191250773.db2.gz AWMMZDNHGFINJF-LPHOPBHVSA-N 2 2 330.476 2.240 10 30 EEEELP C=CCC[N@@H+]1CCC[C@@](C)(CNC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001484162518 1191250774 /nfs/dbraw/zinc/25/07/74/1191250774.db2.gz AWMMZDNHGFINJF-LPHOPBHVSA-N 2 2 330.476 2.240 10 30 EEEELP C=CCCC[NH2+]CC[C@H]1CCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001484526293 1191399167 /nfs/dbraw/zinc/39/91/67/1191399167.db2.gz DTGKNZRXJZIRJQ-IRXDYDNUSA-N 2 2 330.476 2.240 10 30 EEEELP C=CCCC[NH2+]C[C@H]1CN(C(=O)c2ccn3c(C)c[nH+]c3c2)CCO1 ZINC001484678210 1191467143 /nfs/dbraw/zinc/46/71/43/1191467143.db2.gz VTTKRWZGCXJAAF-KRWDZBQOSA-N 2 2 342.443 2.040 10 30 EEEELP C=CC[N@@H+](CCCNC(=O)c1cc([C@@H]2CCC[NH+]2C)n[nH]1)C(C)C ZINC001691727073 1204227653 /nfs/dbraw/zinc/22/76/53/1204227653.db2.gz UOZZHLVAQMOXBW-KRWDZBQOSA-N 2 2 333.480 2.193 10 30 EEEELP C=CC[N@H+](CCCNC(=O)c1cc([C@@H]2CCC[NH+]2C)n[nH]1)C(C)C ZINC001691727073 1204227654 /nfs/dbraw/zinc/22/76/54/1204227654.db2.gz UOZZHLVAQMOXBW-KRWDZBQOSA-N 2 2 333.480 2.193 10 30 EEEELP C=CC[NH+](CCCNC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1)C(C)C ZINC001691727073 1204227657 /nfs/dbraw/zinc/22/76/57/1204227657.db2.gz UOZZHLVAQMOXBW-KRWDZBQOSA-N 2 2 333.480 2.193 10 30 EEEELP C=CC[NH+](CCCNC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1)C(C)C ZINC001691727073 1204227662 /nfs/dbraw/zinc/22/76/62/1204227662.db2.gz UOZZHLVAQMOXBW-KRWDZBQOSA-N 2 2 333.480 2.193 10 30 EEEELP C[C@@H](C[N@H+](C)CC#Cc1ccccc1Cl)NC(=O)Cn1cc[nH+]c1 ZINC001275738610 1205506248 /nfs/dbraw/zinc/50/62/48/1205506248.db2.gz PVWMSPKNBFMWNO-HNNXBMFYSA-N 2 2 344.846 2.025 10 30 EEEELP C[C@@H](C[N@@H+](C)CC#Cc1ccccc1Cl)NC(=O)Cn1cc[nH+]c1 ZINC001275738610 1205506250 /nfs/dbraw/zinc/50/62/50/1205506250.db2.gz PVWMSPKNBFMWNO-HNNXBMFYSA-N 2 2 344.846 2.025 10 30 EEEELP C=CCCC[N@@H+](C)C[C@H]1CCCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC001490774747 1291720360 /nfs/dbraw/zinc/72/03/60/1291720360.db2.gz DLQCVFXNIGCGLQ-QGZVFWFLSA-N 2 2 332.492 2.489 10 30 EEEELP C=CCCC[N@H+](C)C[C@H]1CCCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC001490774747 1291720366 /nfs/dbraw/zinc/72/03/66/1291720366.db2.gz DLQCVFXNIGCGLQ-QGZVFWFLSA-N 2 2 332.492 2.489 10 30 EEEELP C=C(C[NH+](C)C)C(=O)N1CC[N@@H+](Cc2ccccc2OCC)C[C@H]1C ZINC001155340432 1317558362 /nfs/dbraw/zinc/55/83/62/1317558362.db2.gz OCORLJUCKQCSGF-QGZVFWFLSA-N 2 2 345.487 2.236 10 30 EEEELP C=C(C[NH+](C)C)C(=O)N1CC[N@H+](Cc2ccccc2OCC)C[C@H]1C ZINC001155340432 1317558368 /nfs/dbraw/zinc/55/83/68/1317558368.db2.gz OCORLJUCKQCSGF-QGZVFWFLSA-N 2 2 345.487 2.236 10 30 EEEELP C=CCC[N@@H+](C)C[C@@H]1CCCCN1C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001264741422 1322798761 /nfs/dbraw/zinc/79/87/61/1322798761.db2.gz AGNAWTZAPDXSKT-WMZOPIPTSA-N 2 2 330.476 2.335 10 30 EEEELP C=CCC[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001264741422 1322798765 /nfs/dbraw/zinc/79/87/65/1322798765.db2.gz AGNAWTZAPDXSKT-WMZOPIPTSA-N 2 2 330.476 2.335 10 30 EEEELP C=CCCCCC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001265546874 1323214976 /nfs/dbraw/zinc/21/49/76/1323214976.db2.gz ZLEWTNVFQPERHR-ZACQAIPSSA-N 2 2 330.476 2.429 10 30 EEEELP C=C(Cl)C[N@H+](CC)CCCNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001266082061 1323638579 /nfs/dbraw/zinc/63/85/79/1323638579.db2.gz BETCYNRKZMYJFS-OAHLLOKOSA-N 2 2 338.883 2.335 10 30 EEEELP C=C(Cl)C[N@@H+](CC)CCCNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001266082061 1323638584 /nfs/dbraw/zinc/63/85/84/1323638584.db2.gz BETCYNRKZMYJFS-OAHLLOKOSA-N 2 2 338.883 2.335 10 30 EEEELP C#CC[NH2+]C1(CNC(=O)[C@@H]2C[C@@H]2C)CC[NH+](Cc2ccccc2)CC1 ZINC001279170411 1323844274 /nfs/dbraw/zinc/84/42/74/1323844274.db2.gz CTXQSMSLGPAKEC-PKOBYXMFSA-N 2 2 339.483 2.016 10 30 EEEELP CC#CC[NH+]1CCC(N(CCC)C(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC001317007644 1332042349 /nfs/dbraw/zinc/04/23/49/1332042349.db2.gz XAGHNYQYHGKWNX-KRWDZBQOSA-N 2 2 342.487 2.172 10 30 EEEELP C#CC[N@@H+](CCNC(=O)[C@@H]1CCn2c[nH+]cc2C1)C1CCCCCC1 ZINC001323707945 1333520938 /nfs/dbraw/zinc/52/09/38/1333520938.db2.gz BQMGIUSSNXZORZ-QGZVFWFLSA-N 2 2 342.487 2.220 10 30 EEEELP C#CC[N@H+](CCNC(=O)[C@@H]1CCn2c[nH+]cc2C1)C1CCCCCC1 ZINC001323707945 1333520943 /nfs/dbraw/zinc/52/09/43/1333520943.db2.gz BQMGIUSSNXZORZ-QGZVFWFLSA-N 2 2 342.487 2.220 10 30 EEEELP C=CCCC[NH2+][C@H](C)CN(C)C(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC001331530862 1335031886 /nfs/dbraw/zinc/03/18/86/1335031886.db2.gz PEQGVRBPBBRRJI-AEFFLSMTSA-N 2 2 337.508 2.033 10 30 EEEELP C=CCCC[NH2+][C@H](C)CN(C)C(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC001331530862 1335031890 /nfs/dbraw/zinc/03/18/90/1335031890.db2.gz PEQGVRBPBBRRJI-AEFFLSMTSA-N 2 2 337.508 2.033 10 30 EEEELP C=CC[NH+]1CCC(C2(NC(=O)Cc3cn4c([nH+]3)CCCC4)CC2)CC1 ZINC001333180040 1335977325 /nfs/dbraw/zinc/97/73/25/1335977325.db2.gz DNMAMJARORNIRK-UHFFFAOYSA-N 2 2 342.487 2.309 10 30 EEEELP C=C(Cl)C[N@H+]1CC=C(CNC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC001333457712 1336051297 /nfs/dbraw/zinc/05/12/97/1336051297.db2.gz LIWHTKGJWATBBT-GJZGRUSLSA-N 2 2 325.884 2.360 10 30 EEEELP C=CCCN(OCc1ccccc1)C(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001336194597 1336497546 /nfs/dbraw/zinc/49/75/46/1336497546.db2.gz ZDWISTGLLQAYIC-UHFFFAOYSA-N 2 2 346.475 2.129 10 30 EEEELP C=C(C)Cn1c(C[NH+]2CCCC2)nnc1N1C[C@@H](C)[N@H+](CC)C[C@H]1C ZINC001355966772 1338775992 /nfs/dbraw/zinc/77/59/92/1338775992.db2.gz BLKAJZCQTCISDH-IAGOWNOFSA-N 2 2 346.523 2.369 10 30 EEEELP C=C(C)Cn1c(C[NH+]2CCCC2)nnc1N1C[C@@H](C)[N@@H+](CC)C[C@H]1C ZINC001355966772 1338775993 /nfs/dbraw/zinc/77/59/93/1338775993.db2.gz BLKAJZCQTCISDH-IAGOWNOFSA-N 2 2 346.523 2.369 10 30 EEEELP C#CCC[NH2+][C@H](CNC(=O)c1cccc2[nH+]ccn21)c1ccccc1 ZINC001567660673 1342807185 /nfs/dbraw/zinc/80/71/85/1342807185.db2.gz GPOIPPVCTKBYTP-QGZVFWFLSA-N 2 2 332.407 2.418 10 30 EEEELP C#CCN(C(=O)CCc1c[nH+]cn1C)C1CC[NH+](CCC(C)C)CC1 ZINC001569595956 1342905312 /nfs/dbraw/zinc/90/53/12/1342905312.db2.gz IQCJIHGYBKKACX-UHFFFAOYSA-N 2 2 344.503 2.325 10 30 EEEELP C=C(C)C[N@@H+]1C[C@H]2CN(C(=O)[C@@H](CC(C)C)n3cc[nH+]c3)C[C@H]2C1 ZINC001569877414 1342966579 /nfs/dbraw/zinc/96/65/79/1342966579.db2.gz MDTBAGFAVXVQMX-FGTMMUONSA-N 2 2 330.476 2.437 10 30 EEEELP C=C(C)C[N@H+]1C[C@H]2CN(C(=O)[C@@H](CC(C)C)n3cc[nH+]c3)C[C@H]2C1 ZINC001569877414 1342966580 /nfs/dbraw/zinc/96/65/80/1342966580.db2.gz MDTBAGFAVXVQMX-FGTMMUONSA-N 2 2 330.476 2.437 10 30 EEEELP C#CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001661066930 1354584547 /nfs/dbraw/zinc/58/45/47/1354584547.db2.gz RPDRZQQDMJNPNB-SJORKVTESA-N 2 2 328.460 2.074 10 30 EEEELP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCCC(C)C)CC1(C)C ZINC001675458442 1356985030 /nfs/dbraw/zinc/98/50/30/1356985030.db2.gz LABIUEHEIVVGCW-ZWKOTPCHSA-N 2 2 333.520 2.347 10 30 EEEELP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCCC(C)C)CC1(C)C ZINC001675458442 1356985031 /nfs/dbraw/zinc/98/50/31/1356985031.db2.gz LABIUEHEIVVGCW-ZWKOTPCHSA-N 2 2 333.520 2.347 10 30 EEEELP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCCC(C)C)CC1(C)C ZINC001675458442 1356985034 /nfs/dbraw/zinc/98/50/34/1356985034.db2.gz LABIUEHEIVVGCW-ZWKOTPCHSA-N 2 2 333.520 2.347 10 30 EEEELP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCCC(C)C)CC1(C)C ZINC001675458442 1356985035 /nfs/dbraw/zinc/98/50/35/1356985035.db2.gz LABIUEHEIVVGCW-ZWKOTPCHSA-N 2 2 333.520 2.347 10 30 EEEELP C=CCOCC[NH+]1CCC(C)(NC(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001699769962 1405478216 /nfs/dbraw/zinc/47/82/16/1405478216.db2.gz CFHOINAQRJYKKX-UHFFFAOYSA-N 2 2 342.443 2.350 10 30 EEEELP CC#CC[NH2+]C[C@@H](NC(=O)C(C)(C)n1c[nH+]c(C)c1)C1CCCC1 ZINC001699796994 1405489338 /nfs/dbraw/zinc/48/93/38/1405489338.db2.gz XYYGBIFOKASDIP-QGZVFWFLSA-N 2 2 330.476 2.215 10 30 EEEELP CC[C@H](C(=O)N[C@]1(C)CC[N@H+](Cc2ccc(C#N)c(F)c2)C1)[NH+](C)C ZINC001439861227 1092891355 /nfs/dbraw/zinc/89/13/55/1092891355.db2.gz SDMCWCYBGKYWPM-IEBWSBKVSA-N 2 2 346.450 2.118 10 30 EEEELP CC[C@H](C(=O)N[C@]1(C)CC[N@@H+](Cc2ccc(C#N)c(F)c2)C1)[NH+](C)C ZINC001439861227 1092891362 /nfs/dbraw/zinc/89/13/62/1092891362.db2.gz SDMCWCYBGKYWPM-IEBWSBKVSA-N 2 2 346.450 2.118 10 30 EEEELP C=CCC[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CC[C@H]1C(F)(F)F ZINC001479626011 1098650469 /nfs/dbraw/zinc/65/04/69/1098650469.db2.gz SMFPXOUSKLESJS-TZMCWYRMSA-N 2 2 344.381 2.145 10 30 EEEELP CC[C@@H]1[C@@H](C(=O)N(C)CC[NH+](C)Cc2ccccc2C#N)CC[N@@H+]1C ZINC001444984738 1100112059 /nfs/dbraw/zinc/11/20/59/1100112059.db2.gz BPQBPQAWWMTPAY-RBUKOAKNSA-N 2 2 342.487 2.179 10 30 EEEELP CC[C@@H]1[C@@H](C(=O)N(C)CC[NH+](C)Cc2ccccc2C#N)CC[N@H+]1C ZINC001444984738 1100112065 /nfs/dbraw/zinc/11/20/65/1100112065.db2.gz BPQBPQAWWMTPAY-RBUKOAKNSA-N 2 2 342.487 2.179 10 30 EEEELP CC[C@@H]1[C@@H](C(=O)N(C)CC[N@H+](C)Cc2ccccc2C#N)CC[NH+]1C ZINC001444984738 1100112069 /nfs/dbraw/zinc/11/20/69/1100112069.db2.gz BPQBPQAWWMTPAY-RBUKOAKNSA-N 2 2 342.487 2.179 10 30 EEEELP CC[C@@H]1[C@@H](C(=O)N(C)CC[N@@H+](C)Cc2ccccc2C#N)CC[NH+]1C ZINC001444984738 1100112074 /nfs/dbraw/zinc/11/20/74/1100112074.db2.gz BPQBPQAWWMTPAY-RBUKOAKNSA-N 2 2 342.487 2.179 10 30 EEEELP C[N@H+](CC(=O)NC[C@@H]1CC[NH+]1CC#Cc1ccccc1)CC(C)(C)C ZINC001499066084 1108529261 /nfs/dbraw/zinc/52/92/61/1108529261.db2.gz CFHXJWXOZWNAMQ-IBGZPJMESA-N 2 2 341.499 2.207 10 30 EEEELP C[N@@H+](CC(=O)NC[C@@H]1CC[NH+]1CC#Cc1ccccc1)CC(C)(C)C ZINC001499066084 1108529270 /nfs/dbraw/zinc/52/92/70/1108529270.db2.gz CFHXJWXOZWNAMQ-IBGZPJMESA-N 2 2 341.499 2.207 10 30 EEEELP C[NH+](CC(=O)NC[C@@H]1CC[N@@H+]1CC#Cc1ccccc1)CC(C)(C)C ZINC001499066084 1108529276 /nfs/dbraw/zinc/52/92/76/1108529276.db2.gz CFHXJWXOZWNAMQ-IBGZPJMESA-N 2 2 341.499 2.207 10 30 EEEELP C[NH+](CC(=O)NC[C@@H]1CC[N@H+]1CC#Cc1ccccc1)CC(C)(C)C ZINC001499066084 1108529287 /nfs/dbraw/zinc/52/92/87/1108529287.db2.gz CFHXJWXOZWNAMQ-IBGZPJMESA-N 2 2 341.499 2.207 10 30 EEEELP CC[C@@H](C(=O)N(C)C[C@@H]1CC[N@@H+]1CC#Cc1ccc(F)cc1)[NH+](C)C ZINC001479247843 1110667396 /nfs/dbraw/zinc/66/73/96/1110667396.db2.gz XOZWCRITXIFXAY-OALUTQOASA-N 2 2 345.462 2.050 10 30 EEEELP CC[C@@H](C(=O)N(C)C[C@@H]1CC[N@H+]1CC#Cc1ccc(F)cc1)[NH+](C)C ZINC001479247843 1110667397 /nfs/dbraw/zinc/66/73/97/1110667397.db2.gz XOZWCRITXIFXAY-OALUTQOASA-N 2 2 345.462 2.050 10 30 EEEELP N#CC[NH+](CC1CC1)C1CCN(C(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001499527208 1112342475 /nfs/dbraw/zinc/34/24/75/1112342475.db2.gz GTBXLWROPVPPSA-MOPGFXCFSA-N 2 2 344.503 2.230 10 30 EEEELP N#CC[NH+](CC1CC1)C1CCN(C(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001499527208 1112342478 /nfs/dbraw/zinc/34/24/78/1112342478.db2.gz GTBXLWROPVPPSA-MOPGFXCFSA-N 2 2 344.503 2.230 10 30 EEEELP N#CC[N@H+](CC1CC1)C1CCN(C(=O)[C@@H]2CC[C@H]3CCCC[NH+]32)CC1 ZINC001499527208 1112342483 /nfs/dbraw/zinc/34/24/83/1112342483.db2.gz GTBXLWROPVPPSA-MOPGFXCFSA-N 2 2 344.503 2.230 10 30 EEEELP N#CC[N@@H+](CC1CC1)C1CCN(C(=O)[C@@H]2CC[C@H]3CCCC[NH+]32)CC1 ZINC001499527208 1112342486 /nfs/dbraw/zinc/34/24/86/1112342486.db2.gz GTBXLWROPVPPSA-MOPGFXCFSA-N 2 2 344.503 2.230 10 30 EEEELP CC#CC[N@H+](CC1CC1)C1CCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001499530593 1112346920 /nfs/dbraw/zinc/34/69/20/1112346920.db2.gz KFABQTLCCSEGEB-INIZCTEOSA-N 2 2 342.487 2.315 10 30 EEEELP CC#CC[N@@H+](CC1CC1)C1CCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001499530593 1112346926 /nfs/dbraw/zinc/34/69/26/1112346926.db2.gz KFABQTLCCSEGEB-INIZCTEOSA-N 2 2 342.487 2.315 10 30 EEEELP CC#CC[N@H+](CC1CC1)C1CCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001499530593 1112346931 /nfs/dbraw/zinc/34/69/31/1112346931.db2.gz KFABQTLCCSEGEB-INIZCTEOSA-N 2 2 342.487 2.315 10 30 EEEELP CC#CC[N@@H+](CC1CC1)C1CCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001499530593 1112346936 /nfs/dbraw/zinc/34/69/36/1112346936.db2.gz KFABQTLCCSEGEB-INIZCTEOSA-N 2 2 342.487 2.315 10 30 EEEELP CC#CC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC001568538016 1124599814 /nfs/dbraw/zinc/59/98/14/1124599814.db2.gz VTUWAAMPMOQKOK-FUHWJXTLSA-N 2 2 338.455 2.083 10 30 EEEELP O=C(NCc1cccc(-n2cc[nH+]c2)c1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000329464027 539774945 /nfs/dbraw/zinc/77/49/45/539774945.db2.gz QXFCUSZJBQWLLQ-GOSISDBHSA-N 2 2 339.443 2.456 10 30 EEEELP O=C(NCc1cccc(-n2cc[nH+]c2)c1)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000329464027 539774949 /nfs/dbraw/zinc/77/49/49/539774949.db2.gz QXFCUSZJBQWLLQ-GOSISDBHSA-N 2 2 339.443 2.456 10 30 EEEELP N#Cc1ccc([C@H]([NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)C(N)=O)cc1 ZINC000115595836 152033221 /nfs/dbraw/zinc/03/32/21/152033221.db2.gz JGEVDKPKVXCMSF-FQEVSTJZSA-N 2 2 348.450 2.470 10 30 EEEELP N#Cc1csc(C[NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H]2CO)n1 ZINC000352842797 162307971 /nfs/dbraw/zinc/30/79/71/162307971.db2.gz VRUCSCDZDFGEPD-QGZVFWFLSA-N 2 2 342.468 2.261 10 30 EEEELP N#Cc1csc(C[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@@H]2CO)n1 ZINC000352842797 162307974 /nfs/dbraw/zinc/30/79/74/162307974.db2.gz VRUCSCDZDFGEPD-QGZVFWFLSA-N 2 2 342.468 2.261 10 30 EEEELP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)c1ccc(C#N)cc1F ZINC000358564921 465195470 /nfs/dbraw/zinc/19/54/70/465195470.db2.gz YHRURONZUWASIA-KBXCAEBGSA-N 2 2 346.450 2.291 10 30 EEEELP C[C@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C)c1ccc(C#N)cc1F ZINC000358564921 465195472 /nfs/dbraw/zinc/19/54/72/465195472.db2.gz YHRURONZUWASIA-KBXCAEBGSA-N 2 2 346.450 2.291 10 30 EEEELP Cn1cc[nH+]c1CC1CC[NH+](CC(=O)Nc2sccc2C#N)CC1 ZINC000105875648 463483976 /nfs/dbraw/zinc/48/39/76/463483976.db2.gz RYGSNKOGSOGLJF-UHFFFAOYSA-N 2 2 343.456 2.246 10 30 EEEELP C[NH+]1CCN([C@@H]2CCCC[N@H+](CC#Cc3ccc(F)cc3)C2)CC1 ZINC000182903563 464753314 /nfs/dbraw/zinc/75/33/14/464753314.db2.gz LZKAYLDOCUCMCH-HXUWFJFHSA-N 2 2 329.463 2.279 10 30 EEEELP C[NH+]1CCN([C@@H]2CCCC[N@@H+](CC#Cc3ccc(F)cc3)C2)CC1 ZINC000182903563 464753319 /nfs/dbraw/zinc/75/33/19/464753319.db2.gz LZKAYLDOCUCMCH-HXUWFJFHSA-N 2 2 329.463 2.279 10 30 EEEELP CN(C)c1ccc(CNC(=O)NC2CCC(C[NH+](C)C)CC2)c[nH+]1 ZINC000331301965 466021435 /nfs/dbraw/zinc/02/14/35/466021435.db2.gz PYPDJTKXNNDTAE-UHFFFAOYSA-N 2 2 333.480 2.272 10 30 EEEELP COc1cc(C[NH2+]C[C@H](O)C[N@H+](C)Cc2ccccc2)ccc1C#N ZINC000591766809 468517158 /nfs/dbraw/zinc/51/71/58/468517158.db2.gz SKJBPBFIVATRAW-IBGZPJMESA-N 2 2 339.439 2.149 10 30 EEEELP COc1cc(C[NH2+]C[C@H](O)C[N@@H+](C)Cc2ccccc2)ccc1C#N ZINC000591766809 468517164 /nfs/dbraw/zinc/51/71/64/468517164.db2.gz SKJBPBFIVATRAW-IBGZPJMESA-N 2 2 339.439 2.149 10 30 EEEELP C[NH+](C)[C@@H](CNC(=O)[C@H]([NH3+])CCCCC#N)c1c(F)cccc1F ZINC000594437678 468586952 /nfs/dbraw/zinc/58/69/52/468586952.db2.gz KQMPRRCTIIYSAB-CABCVRRESA-N 2 2 338.402 2.095 10 30 EEEELP Cn1cc[nH+]c1[C@H](NC(=O)[C@H]([NH3+])CCCCC#N)c1ccccc1F ZINC000594440510 468589669 /nfs/dbraw/zinc/58/96/69/468589669.db2.gz DQWKZUZKMUXLJB-HZPDHXFCSA-N 2 2 343.406 2.176 10 30 EEEELP CC[C@H](CC#N)[NH2+]CC(=O)N1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000563367943 469237431 /nfs/dbraw/zinc/23/74/31/469237431.db2.gz YAPCGFWHJMHEBZ-SJLPKXTDSA-N 2 2 328.460 2.174 10 30 EEEELP C=CC[NH+]1CCC(NC(=O)C[C@H](n2cc[nH+]c2)C(F)(F)F)CC1 ZINC000635530887 470637771 /nfs/dbraw/zinc/63/77/71/470637771.db2.gz MGJNFNWPLRYJJH-ZDUSSCGKSA-N 2 2 330.354 2.143 10 30 EEEELP C=CC[C@@H]1CCCC[C@H]1NC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000664537559 471786575 /nfs/dbraw/zinc/78/65/75/471786575.db2.gz OPWCZQZGRNCYRR-SJLPKXTDSA-N 2 2 336.524 2.447 10 30 EEEELP C[NH+]=C(NCc1c[nH+]c(N(C)C)n1C)N[C@H](C)c1ccc(C)c(F)c1 ZINC000262018448 682854342 /nfs/dbraw/zinc/85/43/42/682854342.db2.gz YFZKDTJSKLNPMJ-CYBMUJFWSA-N 2 2 346.454 2.360 10 30 EEEELP C=C(C)C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001691360922 1177965048 /nfs/dbraw/zinc/96/50/48/1177965048.db2.gz RJDSJRGONCZGAT-ZACQAIPSSA-N 2 2 330.476 2.238 10 30 EEEELP C=C(C)C[N@H+]1CC[C@H]1CN(C)C(=O)C[NH+](C)CCc1ccccc1 ZINC001691402508 1178011908 /nfs/dbraw/zinc/01/19/08/1178011908.db2.gz MJTYYRXFJCVWQX-IBGZPJMESA-N 2 2 329.488 2.270 10 30 EEEELP C=C(C)C[N@@H+]1CC[C@H]1CN(C)C(=O)C[NH+](C)CCc1ccccc1 ZINC001691402508 1178011916 /nfs/dbraw/zinc/01/19/16/1178011916.db2.gz MJTYYRXFJCVWQX-IBGZPJMESA-N 2 2 329.488 2.270 10 30 EEEELP C=C(C)C[NH+]1CC[C@H]1CN(C)C(=O)C[N@H+](C)CCc1ccccc1 ZINC001691402508 1178011925 /nfs/dbraw/zinc/01/19/25/1178011925.db2.gz MJTYYRXFJCVWQX-IBGZPJMESA-N 2 2 329.488 2.270 10 30 EEEELP C=C(C)C[NH+]1CC[C@H]1CN(C)C(=O)C[N@@H+](C)CCc1ccccc1 ZINC001691402508 1178011933 /nfs/dbraw/zinc/01/19/33/1178011933.db2.gz MJTYYRXFJCVWQX-IBGZPJMESA-N 2 2 329.488 2.270 10 30 EEEELP C=CC[NH2+]C[C@@H](NC(=O)[C@@H]1CCc2[nH+]ccn2C1)C1CCCCC1 ZINC001268120006 1181766341 /nfs/dbraw/zinc/76/63/41/1181766341.db2.gz SJRJHNRNQONWAU-IAGOWNOFSA-N 2 2 330.476 2.286 10 30 EEEELP CC#CC[NH2+]C[C@H](NC(=O)[C@H]1CCc2[nH+]ccn2C1)C1CCCCC1 ZINC001268121054 1181768606 /nfs/dbraw/zinc/76/86/06/1181768606.db2.gz YXJZUTZVZMAOLE-ROUUACIJSA-N 2 2 342.487 2.124 10 30 EEEELP C[C@H](CC[NH2+]Cc1cccc(C#N)c1)NC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001268405744 1182521071 /nfs/dbraw/zinc/52/10/71/1182521071.db2.gz OVOZUFORQDRNGD-HUUCEWRRSA-N 2 2 339.443 2.145 10 30 EEEELP C[C@H](CC[NH2+]Cc1cccc(C#N)c1)NC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001268405744 1182521076 /nfs/dbraw/zinc/52/10/76/1182521076.db2.gz OVOZUFORQDRNGD-HUUCEWRRSA-N 2 2 339.443 2.145 10 30 EEEELP C=C(C)CC[NH2+]C[C@H]1CCCN1C(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC001482061290 1183271098 /nfs/dbraw/zinc/27/10/98/1183271098.db2.gz BIYFKAWGPBFMIW-RTBURBONSA-N 2 2 349.519 2.177 10 30 EEEELP C=C(C)CC[NH2+]C[C@H]1CCCN1C(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC001482061290 1183271101 /nfs/dbraw/zinc/27/11/01/1183271101.db2.gz BIYFKAWGPBFMIW-RTBURBONSA-N 2 2 349.519 2.177 10 30 EEEELP C#CCC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001271782914 1186480524 /nfs/dbraw/zinc/48/05/24/1186480524.db2.gz LKGOVEGAXYWRBG-BRSBDYLESA-N 2 2 342.487 2.059 10 30 EEEELP N#CC[NH+](CC1CC1)C1CCN(C(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001670989215 1193539451 /nfs/dbraw/zinc/53/94/51/1193539451.db2.gz MMOIEADKBDXBIQ-RTBURBONSA-N 2 2 344.503 2.230 10 30 EEEELP N#CC[NH+](CC1CC1)C1CCN(C(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001670989215 1193539453 /nfs/dbraw/zinc/53/94/53/1193539453.db2.gz MMOIEADKBDXBIQ-RTBURBONSA-N 2 2 344.503 2.230 10 30 EEEELP N#CC[N@H+](CC1CC1)C1CCN(C(=O)[C@H]2CCC[C@@H]3CCC[NH+]32)CC1 ZINC001670989215 1193539455 /nfs/dbraw/zinc/53/94/55/1193539455.db2.gz MMOIEADKBDXBIQ-RTBURBONSA-N 2 2 344.503 2.230 10 30 EEEELP N#CC[N@@H+](CC1CC1)C1CCN(C(=O)[C@H]2CCC[C@@H]3CCC[NH+]32)CC1 ZINC001670989215 1193539458 /nfs/dbraw/zinc/53/94/58/1193539458.db2.gz MMOIEADKBDXBIQ-RTBURBONSA-N 2 2 344.503 2.230 10 30 EEEELP CC[N@H+](C)CCC(=O)NC[C@@H]1CC[NH+]1CC#Cc1ccc(Cl)cc1 ZINC001483688347 1190754844 /nfs/dbraw/zinc/75/48/44/1190754844.db2.gz GRNQIAXTHMRTEB-SFHVURJKSA-N 2 2 347.890 2.224 10 30 EEEELP CC[N@@H+](C)CCC(=O)NC[C@@H]1CC[NH+]1CC#Cc1ccc(Cl)cc1 ZINC001483688347 1190754845 /nfs/dbraw/zinc/75/48/45/1190754845.db2.gz GRNQIAXTHMRTEB-SFHVURJKSA-N 2 2 347.890 2.224 10 30 EEEELP CC[NH+](C)CCC(=O)NC[C@@H]1CC[N@@H+]1CC#Cc1ccc(Cl)cc1 ZINC001483688347 1190754848 /nfs/dbraw/zinc/75/48/48/1190754848.db2.gz GRNQIAXTHMRTEB-SFHVURJKSA-N 2 2 347.890 2.224 10 30 EEEELP CC[NH+](C)CCC(=O)NC[C@@H]1CC[N@H+]1CC#Cc1ccc(Cl)cc1 ZINC001483688347 1190754850 /nfs/dbraw/zinc/75/48/50/1190754850.db2.gz GRNQIAXTHMRTEB-SFHVURJKSA-N 2 2 347.890 2.224 10 30 EEEELP C=CCCC[NH2+]C1(CNC(=O)c2cccc3[nH+]ccn32)CCOCC1 ZINC001484184430 1191263576 /nfs/dbraw/zinc/26/35/76/1191263576.db2.gz FVKHAWHKAJWGAF-UHFFFAOYSA-N 2 2 342.443 2.169 10 30 EEEELP C=C(C)CC[NH2+]C[C@H]1CCCCN1C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001484616791 1191443674 /nfs/dbraw/zinc/44/36/74/1191443674.db2.gz OBEBQMNXOOXJEG-FUHWJXTLSA-N 2 2 330.476 2.382 10 30 EEEELP C=C(C)CC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC001488847817 1290245476 /nfs/dbraw/zinc/24/54/76/1290245476.db2.gz BBTAVDPNQMOCKI-ZHALLVOQSA-N 2 2 349.519 2.080 10 30 EEEELP C=C(C)CC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2COCC[N@H+]2C2CCCC2)C1 ZINC001488847817 1290245484 /nfs/dbraw/zinc/24/54/84/1290245484.db2.gz BBTAVDPNQMOCKI-ZHALLVOQSA-N 2 2 349.519 2.080 10 30 EEEELP CC#CC[NH2+][C@H]1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C[C@H]1CC ZINC001276740272 1297161375 /nfs/dbraw/zinc/16/13/75/1297161375.db2.gz OJIOGMLIZLWZQQ-SJORKVTESA-N 2 2 330.476 2.167 10 30 EEEELP C=CCC[NH2+]C[C@H]1CN(C(=O)Cc2cn3c([nH+]2)CCCC3)C[C@@H]1C ZINC001279101985 1319268491 /nfs/dbraw/zinc/26/84/91/1319268491.db2.gz BIGKYQLENIBYGT-HOTGVXAUSA-N 2 2 330.476 2.022 10 30 EEEELP C#CC[N@H+](C)CCCNc1[nH+]cnc2c1cnn2-c1ccccc1F ZINC001163412686 1321118723 /nfs/dbraw/zinc/11/87/23/1321118723.db2.gz NITVHDAZJSVKSF-UHFFFAOYSA-N 2 2 338.390 2.322 10 30 EEEELP C#CC[N@@H+](C)CCCNc1[nH+]cnc2c1cnn2-c1ccccc1F ZINC001163412686 1321118727 /nfs/dbraw/zinc/11/87/27/1321118727.db2.gz NITVHDAZJSVKSF-UHFFFAOYSA-N 2 2 338.390 2.322 10 30 EEEELP C=CCC[C@H](C)[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001265408653 1323136997 /nfs/dbraw/zinc/13/69/97/1323136997.db2.gz PUEZYOPYLQZWNN-XWTMOSNGSA-N 2 2 342.487 2.475 10 30 EEEELP C=CCC[C@H](C)[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001265408653 1323137002 /nfs/dbraw/zinc/13/70/02/1323137002.db2.gz PUEZYOPYLQZWNN-XWTMOSNGSA-N 2 2 342.487 2.475 10 30 EEEELP C=CCCC[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001265675393 1323314264 /nfs/dbraw/zinc/31/42/64/1323314264.db2.gz HDYRFHQUNVOFCL-SJORKVTESA-N 2 2 330.476 2.382 10 30 EEEELP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCCC[N@H+](C)Cc1cccc(C#N)c1 ZINC001265936640 1323500375 /nfs/dbraw/zinc/50/03/75/1323500375.db2.gz BKHYUIPCOYPLBA-HNNXBMFYSA-N 2 2 339.443 2.098 10 30 EEEELP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCCC[N@@H+](C)Cc1cccc(C#N)c1 ZINC001265936640 1323500376 /nfs/dbraw/zinc/50/03/76/1323500376.db2.gz BKHYUIPCOYPLBA-HNNXBMFYSA-N 2 2 339.443 2.098 10 30 EEEELP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCCC[N@H+](C)Cc1cccc(C#N)c1 ZINC001265936640 1323500381 /nfs/dbraw/zinc/50/03/81/1323500381.db2.gz BKHYUIPCOYPLBA-HNNXBMFYSA-N 2 2 339.443 2.098 10 30 EEEELP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCCC[N@@H+](C)Cc1cccc(C#N)c1 ZINC001265936640 1323500384 /nfs/dbraw/zinc/50/03/84/1323500384.db2.gz BKHYUIPCOYPLBA-HNNXBMFYSA-N 2 2 339.443 2.098 10 30 EEEELP O=C(Cc1c[nH]c[nH+]1)N[C@@H]1CCC[C@@H]([NH2+]CC#Cc2ccccc2)C1 ZINC001266072359 1323627817 /nfs/dbraw/zinc/62/78/17/1323627817.db2.gz VTPHHCSIIMIONL-QZTJIDSGSA-N 2 2 336.439 2.021 10 30 EEEELP C=C(C)C[N@H+](CC)CCCNC(=O)[C@@H]1COCC[NH+]1C1CCCC1 ZINC001266073912 1323628291 /nfs/dbraw/zinc/62/82/91/1323628291.db2.gz QSWOKHODKHFTEB-SFHVURJKSA-N 2 2 337.508 2.034 10 30 EEEELP C=C(C)C[N@@H+](CC)CCCNC(=O)[C@@H]1COCC[NH+]1C1CCCC1 ZINC001266073912 1323628297 /nfs/dbraw/zinc/62/82/97/1323628297.db2.gz QSWOKHODKHFTEB-SFHVURJKSA-N 2 2 337.508 2.034 10 30 EEEELP C=C(C)C[NH+](CC)CCCNC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC001266073912 1323628301 /nfs/dbraw/zinc/62/83/01/1323628301.db2.gz QSWOKHODKHFTEB-SFHVURJKSA-N 2 2 337.508 2.034 10 30 EEEELP C=C(C)C[NH+](CC)CCCNC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC001266073912 1323628309 /nfs/dbraw/zinc/62/83/09/1323628309.db2.gz QSWOKHODKHFTEB-SFHVURJKSA-N 2 2 337.508 2.034 10 30 EEEELP C#CC[N@@H+](CC)CC1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC001281833282 1325479990 /nfs/dbraw/zinc/47/99/90/1325479990.db2.gz HHTNBDVQFXSQJP-UHFFFAOYSA-N 2 2 330.476 2.120 10 30 EEEELP C#CC[N@H+](CC)CC1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC001281833282 1325479993 /nfs/dbraw/zinc/47/99/93/1325479993.db2.gz HHTNBDVQFXSQJP-UHFFFAOYSA-N 2 2 330.476 2.120 10 30 EEEELP C=C(C)C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)CCCn3cc[nH+]c3)C[C@H]2C1 ZINC001282960383 1325855168 /nfs/dbraw/zinc/85/51/68/1325855168.db2.gz ZMIFCYXRKGZONY-BZSNNMDCSA-N 2 2 330.476 2.456 10 30 EEEELP C=C(C)C[N@H+]1C[C@@H]2CC[C@H](NC(=O)CCCn3cc[nH+]c3)C[C@H]2C1 ZINC001282960383 1325855169 /nfs/dbraw/zinc/85/51/69/1325855169.db2.gz ZMIFCYXRKGZONY-BZSNNMDCSA-N 2 2 330.476 2.456 10 30 EEEELP C=CCOCC[NH2+]C[C@H]1C[C@H](NC(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001283067901 1325907237 /nfs/dbraw/zinc/90/72/37/1325907237.db2.gz OZYKVZIFKKOPDU-QAQDUYKDSA-N 2 2 331.460 2.307 10 30 EEEELP C=C(C)CC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001283546217 1326124468 /nfs/dbraw/zinc/12/44/68/1326124468.db2.gz XCSKUMNUQPSUEN-BRWVUGGUSA-N 2 2 330.476 2.316 10 30 EEEELP CC#CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001317177167 1332115633 /nfs/dbraw/zinc/11/56/33/1332115633.db2.gz PRXIZOQZQMLKAS-OALUTQOASA-N 2 2 327.472 2.283 10 30 EEEELP CC#CC[N@H+]1CCCC[C@H]1CNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001317177167 1332115635 /nfs/dbraw/zinc/11/56/35/1332115635.db2.gz PRXIZOQZQMLKAS-OALUTQOASA-N 2 2 327.472 2.283 10 30 EEEELP C=CCCCCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001318337865 1332512431 /nfs/dbraw/zinc/51/24/31/1332512431.db2.gz KDPCZFYBOWDXCY-DLBZAZTESA-N 2 2 330.476 2.382 10 30 EEEELP C=CCCCCC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001318337865 1332512434 /nfs/dbraw/zinc/51/24/34/1332512434.db2.gz KDPCZFYBOWDXCY-DLBZAZTESA-N 2 2 330.476 2.382 10 30 EEEELP CCCCCCC[N@@H+]1CC[C@H](N(CC)C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001318456501 1332540652 /nfs/dbraw/zinc/54/06/52/1332540652.db2.gz BSSWGJVPWLXVAU-ROUUACIJSA-N 2 2 339.524 2.210 10 30 EEEELP CCCCCCC[N@H+]1CC[C@H](N(CC)C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001318456501 1332540653 /nfs/dbraw/zinc/54/06/53/1332540653.db2.gz BSSWGJVPWLXVAU-ROUUACIJSA-N 2 2 339.524 2.210 10 30 EEEELP CCCCCCC[NH+]1CC[C@H](N(CC)C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001318456501 1332540656 /nfs/dbraw/zinc/54/06/56/1332540656.db2.gz BSSWGJVPWLXVAU-ROUUACIJSA-N 2 2 339.524 2.210 10 30 EEEELP CCCCCCC[NH+]1CC[C@H](N(CC)C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001318456501 1332540657 /nfs/dbraw/zinc/54/06/57/1332540657.db2.gz BSSWGJVPWLXVAU-ROUUACIJSA-N 2 2 339.524 2.210 10 30 EEEELP C=CCCC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001331293172 1334992120 /nfs/dbraw/zinc/99/21/20/1334992120.db2.gz ARAJDVVPVWSFME-AEFFLSMTSA-N 2 2 330.476 2.238 10 30 EEEELP C#CC[NH+]1CCC([NH2+]C[C@@H](O)COc2ccc3ccccc3c2)CC1 ZINC001335412249 1336372451 /nfs/dbraw/zinc/37/24/51/1336372451.db2.gz LOZQPPKOULRNEX-HXUWFJFHSA-N 2 2 338.451 2.267 10 30 EEEELP C=C(C)C[NH+]1CCC([C@H](C)NC(=O)Cc2c[nH+]ccc2OC)CC1 ZINC001677357586 1357320113 /nfs/dbraw/zinc/32/01/13/1357320113.db2.gz OTIDYVGCHBSJPB-HNNXBMFYSA-N 2 2 331.460 2.426 10 30 EEEELP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CC/C=C\CC)[C@@H]1CC ZINC001656717298 1354268395 /nfs/dbraw/zinc/26/83/95/1354268395.db2.gz SUPGGONJRZESST-LNMLPRMJSA-N 2 2 331.504 2.409 10 30 EEEELP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CC/C=C\CC)[C@@H]1CC ZINC001656717298 1354268398 /nfs/dbraw/zinc/26/83/98/1354268398.db2.gz SUPGGONJRZESST-LNMLPRMJSA-N 2 2 331.504 2.409 10 30 EEEELP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CC/C=C\CC)[C@@H]1CC ZINC001656717298 1354268401 /nfs/dbraw/zinc/26/84/01/1354268401.db2.gz SUPGGONJRZESST-LNMLPRMJSA-N 2 2 331.504 2.409 10 30 EEEELP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CC/C=C\CC)[C@@H]1CC ZINC001656717298 1354268403 /nfs/dbraw/zinc/26/84/03/1354268403.db2.gz SUPGGONJRZESST-LNMLPRMJSA-N 2 2 331.504 2.409 10 30 EEEELP C=CCOCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001661257431 1354618602 /nfs/dbraw/zinc/61/86/02/1354618602.db2.gz GLBNHCHMDFPCNS-IYBDPMFKSA-N 2 2 340.427 2.054 10 30 EEEELP C=CCOCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001661257431 1354618607 /nfs/dbraw/zinc/61/86/07/1354618607.db2.gz GLBNHCHMDFPCNS-IYBDPMFKSA-N 2 2 340.427 2.054 10 30 EEEELP C[C@@H](CC(=O)N(C)CCC[NH2+]Cc1cccc(C#N)c1)n1cc[nH+]c1 ZINC001670261407 1356306968 /nfs/dbraw/zinc/30/69/68/1356306968.db2.gz MOEQSFZVINQJAD-INIZCTEOSA-N 2 2 339.443 2.344 10 30 EEEELP C=C(C)CC[NH2+]C[C@]1(C)CCN(C(=O)Cc2c[nH+]ccc2OC)C1 ZINC001671753305 1356407910 /nfs/dbraw/zinc/40/79/10/1356407910.db2.gz ORDLHRJHOAOMTD-IBGZPJMESA-N 2 2 331.460 2.427 10 30 EEEELP C=CCOCC[NH2+]C[C@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1C ZINC001672287732 1356494219 /nfs/dbraw/zinc/49/42/19/1356494219.db2.gz QBANCABGPBNEGB-ZBFHGGJFSA-N 2 2 342.443 2.063 10 30 EEEELP C=CCCC[NH2+]CC1CC(NC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001674542017 1356856190 /nfs/dbraw/zinc/85/61/90/1356856190.db2.gz NOYXWBJCLOIRLA-UHFFFAOYSA-N 2 2 330.476 2.213 10 30 EEEELP C#CCC[NH+]1CCC(CCNC(=O)Cc2cn3c([nH+]2)CCCC3)CC1 ZINC001698721155 1405026009 /nfs/dbraw/zinc/02/60/09/1405026009.db2.gz KKETTYCYJBAUKR-UHFFFAOYSA-N 2 2 342.487 2.004 10 30 EEEELP C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)C(C)(C)C1 ZINC000940851340 779433111 /nfs/dbraw/zinc/43/31/11/779433111.db2.gz VSXCZJSFSGXJBX-HOTGVXAUSA-N 2 2 330.476 2.238 10 30 EEEELP C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)C(C)(C)C1 ZINC000940851340 779433113 /nfs/dbraw/zinc/43/31/13/779433113.db2.gz VSXCZJSFSGXJBX-HOTGVXAUSA-N 2 2 330.476 2.238 10 30 EEEELP CCO[C@H](C[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1)C[NH+](C)C ZINC000922758318 801828478 /nfs/dbraw/zinc/82/84/78/801828478.db2.gz UPOKROIKGSEZAX-GOSISDBHSA-N 2 2 341.459 2.015 10 30 EEEELP COCC#CC[NH2+][C@@H]1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)C[C@H]1C ZINC001496352662 1100946408 /nfs/dbraw/zinc/94/64/08/1100946408.db2.gz VBKIHAZNPMUKOS-CRAIPNDOSA-N 2 2 343.471 2.097 10 30 EEEELP C=CCC[C@@H](C)[NH2+]C[C@H]1CN(C(=O)c2cccc3[nH+]ccn32)CCO1 ZINC001502065023 1113575291 /nfs/dbraw/zinc/57/52/91/1113575291.db2.gz WRDZNUYQBHRGII-CVEARBPZSA-N 2 2 342.443 2.120 10 30 EEEELP C=C(C)C[NH+]1CC2(C1)CC[C@@H](CNC(=O)CCC[NH+]1CCCCC1)O2 ZINC001502443160 1113685978 /nfs/dbraw/zinc/68/59/78/1113685978.db2.gz MIYHVJUIOZHAOD-SFHVURJKSA-N 2 2 349.519 2.178 10 30 EEEELP C=C(C)CC[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001505819973 1114213783 /nfs/dbraw/zinc/21/37/83/1114213783.db2.gz FTOFETNPMIKGOH-MRXNPFEDSA-N 2 2 332.492 2.486 10 30 EEEELP C=CCCC[NH+](C)[C@@H](C)CNC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC001505986232 1114320861 /nfs/dbraw/zinc/32/08/61/1114320861.db2.gz SCJIMLFPBRQCKJ-FUHWJXTLSA-N 2 2 337.508 2.033 10 30 EEEELP C=CCCC[NH+](C)[C@@H](C)CNC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC001505986232 1114320865 /nfs/dbraw/zinc/32/08/65/1114320865.db2.gz SCJIMLFPBRQCKJ-FUHWJXTLSA-N 2 2 337.508 2.033 10 30 EEEELP C=CCCC[N@@H+](C)[C@@H](C)CNC(=O)[C@H]1COCC[NH+]1C1CCCC1 ZINC001505986232 1114320869 /nfs/dbraw/zinc/32/08/69/1114320869.db2.gz SCJIMLFPBRQCKJ-FUHWJXTLSA-N 2 2 337.508 2.033 10 30 EEEELP C=CCCC[N@H+](C)[C@@H](C)CNC(=O)[C@H]1COCC[NH+]1C1CCCC1 ZINC001505986232 1114320873 /nfs/dbraw/zinc/32/08/73/1114320873.db2.gz SCJIMLFPBRQCKJ-FUHWJXTLSA-N 2 2 337.508 2.033 10 30 EEEELP C=CCCC[N@@H+]1CCO[C@]2(CCN(C(=O)C[C@@H](C)n3cc[nH+]c3)C2)C1 ZINC001506726914 1114837005 /nfs/dbraw/zinc/83/70/05/1114837005.db2.gz FLLUGBZRERVTIN-IEBWSBKVSA-N 2 2 346.475 2.104 10 30 EEEELP C=CCCC[N@H+]1CCO[C@]2(CCN(C(=O)C[C@@H](C)n3cc[nH+]c3)C2)C1 ZINC001506726914 1114837008 /nfs/dbraw/zinc/83/70/08/1114837008.db2.gz FLLUGBZRERVTIN-IEBWSBKVSA-N 2 2 346.475 2.104 10 30 EEEELP CCN(CC[NH2+]CC#Cc1ccc(Cl)cc1)C(=O)Cn1cc[nH+]c1 ZINC001568801775 1124817831 /nfs/dbraw/zinc/81/78/31/1124817831.db2.gz JOVWDRDIMIVIRG-UHFFFAOYSA-N 2 2 344.846 2.026 10 30 EEEELP CC[NH+]1CCC([NH+]=C([O-])N[C@@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)CC1 ZINC000329271204 539770394 /nfs/dbraw/zinc/77/03/94/539770394.db2.gz JELYHCZBHNSIQZ-OAHLLOKOSA-N 2 2 347.507 2.483 10 30 EEEELP CC[NH+]1CCC(NC([O-])=[NH+][C@@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)CC1 ZINC000329271204 539770397 /nfs/dbraw/zinc/77/03/97/539770397.db2.gz JELYHCZBHNSIQZ-OAHLLOKOSA-N 2 2 347.507 2.483 10 30 EEEELP N#Cc1ccc(C[NH2+]C[C@@H](O)C[NH+]2CCCC2)c(C(F)(F)F)c1 ZINC000352822660 162299690 /nfs/dbraw/zinc/29/96/90/162299690.db2.gz KQPHLUIXVBPVST-CQSZACIVSA-N 2 2 327.350 2.123 10 30 EEEELP COc1ccc(C[NH+]2CCN(c3cc[nH+]cc3OC)CC2)cc1C#N ZINC000355655522 163259994 /nfs/dbraw/zinc/25/99/94/163259994.db2.gz UIDBCILUCKYPOC-UHFFFAOYSA-N 2 2 338.411 2.293 10 30 EEEELP Cc1ccc(N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)nc1C#N ZINC000302660778 466163419 /nfs/dbraw/zinc/16/34/19/466163419.db2.gz OWYMWQSGVBYESG-SJPCQFCGSA-N 2 2 325.460 2.009 10 30 EEEELP Cc1ccc(N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)nc1C#N ZINC000302660778 466163426 /nfs/dbraw/zinc/16/34/26/466163426.db2.gz OWYMWQSGVBYESG-SJPCQFCGSA-N 2 2 325.460 2.009 10 30 EEEELP N#CC1(C[C@H](O)C[NH2+]CC2([NH+]3CCSCC3)CCCCC2)CC1 ZINC000600729124 468638614 /nfs/dbraw/zinc/63/86/14/468638614.db2.gz XAFGYUMDKXYBKZ-INIZCTEOSA-N 2 2 337.533 2.382 10 30 EEEELP C=CC[C@@H]1CC[C@@H]([NH2+]CCC[NH+]2CCN(c3ncccn3)CC2)C1 ZINC000651674662 471080190 /nfs/dbraw/zinc/08/01/90/471080190.db2.gz ZGLXUOSFLGNTNR-QZTJIDSGSA-N 2 2 329.492 2.323 10 30 EEEELP C#CC[NH+]1C[C@@H](NC(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)C(C)(C)C1 ZINC001485582882 1191849011 /nfs/dbraw/zinc/84/90/11/1191849011.db2.gz VMQJWOYCAXBXOD-QZTJIDSGSA-N 2 2 327.472 2.139 10 30 EEEELP C#CC[NH+]1C[C@@H](NC(=O)[C@@H](c2ccccc2)[N@H+](C)CC)C(C)(C)C1 ZINC001485582882 1191849012 /nfs/dbraw/zinc/84/90/12/1191849012.db2.gz VMQJWOYCAXBXOD-QZTJIDSGSA-N 2 2 327.472 2.139 10 30 EEEELP C#CC[N@H+]1C[C@@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)CC)C(C)(C)C1 ZINC001485582882 1191849014 /nfs/dbraw/zinc/84/90/14/1191849014.db2.gz VMQJWOYCAXBXOD-QZTJIDSGSA-N 2 2 327.472 2.139 10 30 EEEELP C#CC[N@@H+]1C[C@@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)CC)C(C)(C)C1 ZINC001485582882 1191849016 /nfs/dbraw/zinc/84/90/16/1191849016.db2.gz VMQJWOYCAXBXOD-QZTJIDSGSA-N 2 2 327.472 2.139 10 30 EEEELP C=CCCCCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001266327181 1176303699 /nfs/dbraw/zinc/30/36/99/1176303699.db2.gz ALUFKHMDGAQYDZ-IAGOWNOFSA-N 2 2 330.476 2.382 10 30 EEEELP C=CCCCCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001266327181 1176303713 /nfs/dbraw/zinc/30/37/13/1176303713.db2.gz ALUFKHMDGAQYDZ-IAGOWNOFSA-N 2 2 330.476 2.382 10 30 EEEELP C=CCC[NH2+][C@@H]1CCN(C(=O)Cc2c[nH+]ccc2OC)C[C@@H]1CC ZINC001670582000 1176925825 /nfs/dbraw/zinc/92/58/25/1176925825.db2.gz POBSAYQRJLIDKI-DOTOQJQBSA-N 2 2 331.460 2.426 10 30 EEEELP C#CC[N@@H+](C)C[C@@H]1CCCCN1C(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001691786844 1178565057 /nfs/dbraw/zinc/56/50/57/1178565057.db2.gz AAKZMVBPSTYWNF-ROUUACIJSA-N 2 2 330.476 2.416 10 30 EEEELP C#CC[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001691786844 1178565064 /nfs/dbraw/zinc/56/50/64/1178565064.db2.gz AAKZMVBPSTYWNF-ROUUACIJSA-N 2 2 330.476 2.416 10 30 EEEELP C=CC[N@H+]1CC[C@@H](N(CCC)C(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001267466847 1179077260 /nfs/dbraw/zinc/07/72/60/1179077260.db2.gz SBULGQBPLQWZNQ-QGZVFWFLSA-N 2 2 339.443 2.380 10 30 EEEELP C=CC[N@@H+]1CC[C@@H](N(CCC)C(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001267466847 1179077269 /nfs/dbraw/zinc/07/72/69/1179077269.db2.gz SBULGQBPLQWZNQ-QGZVFWFLSA-N 2 2 339.443 2.380 10 30 EEEELP C=CCC[N@@H+](C)CC1CCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC001267733238 1180327508 /nfs/dbraw/zinc/32/75/08/1180327508.db2.gz HZVWWAKPQNAUSH-KRWDZBQOSA-N 2 2 330.476 2.192 10 30 EEEELP C=CCC[N@H+](C)CC1CCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC001267733238 1180327517 /nfs/dbraw/zinc/32/75/17/1180327517.db2.gz HZVWWAKPQNAUSH-KRWDZBQOSA-N 2 2 330.476 2.192 10 30 EEEELP C[NH+](C)[C@H]1CCC[C@@H](C(=O)N2CCC([N@H+](CC#N)CC3CC3)CC2)C1 ZINC001269632764 1184458093 /nfs/dbraw/zinc/45/80/93/1184458093.db2.gz MKFYNKVUFMCSAR-MJGOQNOKSA-N 2 2 346.519 2.333 10 30 EEEELP C[NH+](C)[C@H]1CCC[C@@H](C(=O)N2CCC([N@@H+](CC#N)CC3CC3)CC2)C1 ZINC001269632764 1184458097 /nfs/dbraw/zinc/45/80/97/1184458097.db2.gz MKFYNKVUFMCSAR-MJGOQNOKSA-N 2 2 346.519 2.333 10 30 EEEELP CC#CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H](CC(C)C)n3cc[nH+]c3)C2)C1 ZINC001269731283 1184567033 /nfs/dbraw/zinc/56/70/33/1184567033.db2.gz HQKCDYJKWPZMGN-UYAOXDASSA-N 2 2 342.487 2.418 10 30 EEEELP CC#CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H](CC(C)C)n3cc[nH+]c3)C2)C1 ZINC001269731283 1184567034 /nfs/dbraw/zinc/56/70/34/1184567034.db2.gz HQKCDYJKWPZMGN-UYAOXDASSA-N 2 2 342.487 2.418 10 30 EEEELP C=CCC[NH2+]CCC1CCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC001269877503 1184688145 /nfs/dbraw/zinc/68/81/45/1184688145.db2.gz NDDDOJDYRRQWMW-QGZVFWFLSA-N 2 2 330.476 2.240 10 30 EEEELP CC(C)[C@H](CNC(=O)CCc1c[nH]c[nH+]1)[NH2+]CC#Cc1ccccc1 ZINC001482530985 1186524348 /nfs/dbraw/zinc/52/43/48/1186524348.db2.gz BAQRPKZNVXNQKC-IBGZPJMESA-N 2 2 338.455 2.124 10 30 EEEELP CC(C)[C@H](CNC(=O)CCc1c[nH+]c[nH]1)[NH2+]CC#Cc1ccccc1 ZINC001482530985 1186524352 /nfs/dbraw/zinc/52/43/52/1186524352.db2.gz BAQRPKZNVXNQKC-IBGZPJMESA-N 2 2 338.455 2.124 10 30 EEEELP C[C@@H](CC(=O)NC[C@H](C)[N@H+](C)Cc1ccc(C#N)cc1)n1cc[nH+]c1 ZINC001409627210 1190124618 /nfs/dbraw/zinc/12/46/18/1190124618.db2.gz OTFRBJQZUBKNPB-HOTGVXAUSA-N 2 2 339.443 2.343 10 30 EEEELP C[C@@H](CC(=O)NC[C@H](C)[N@@H+](C)Cc1ccc(C#N)cc1)n1cc[nH+]c1 ZINC001409627210 1190124619 /nfs/dbraw/zinc/12/46/19/1190124619.db2.gz OTFRBJQZUBKNPB-HOTGVXAUSA-N 2 2 339.443 2.343 10 30 EEEELP C#CCN(C(=O)CCc1c[nH+]cn1C)C1CC[NH+](C/C=C/Cl)CC1 ZINC001483989725 1191144530 /nfs/dbraw/zinc/14/45/30/1191144530.db2.gz VHKISMUAMKQPGE-RUDMXATFSA-N 2 2 348.878 2.031 10 30 EEEELP C=CC[NH2+]CC[C@@H]1CCN(C(=O)Cc2cn3cccc(C)c3[nH+]2)C1 ZINC001484542778 1191402833 /nfs/dbraw/zinc/40/28/33/1191402833.db2.gz HLAORHOADDMTCH-MRXNPFEDSA-N 2 2 326.444 2.199 10 30 EEEELP C#CCC[NH+]1CCC2(CCN(C(=O)CCCn3cc[nH+]c3)CC2)CC1 ZINC001485011346 1191615689 /nfs/dbraw/zinc/61/56/89/1191615689.db2.gz LFRDFVQWBRNZJV-UHFFFAOYSA-N 2 2 342.487 2.391 10 30 EEEELP C=C(CC[NH+](C)C)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000901275233 1235466331 /nfs/dbraw/zinc/46/63/31/1235466331.db2.gz YAARRGXQBFNBTR-SJORKVTESA-N 2 2 337.414 2.334 10 30 EEEELP C=C(CC[NH+](C)C)C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000901275233 1235466334 /nfs/dbraw/zinc/46/63/34/1235466334.db2.gz YAARRGXQBFNBTR-SJORKVTESA-N 2 2 337.414 2.334 10 30 EEEELP C=CCC[C@H](C)[NH2+][C@H]1C[C@@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001491018766 1258574657 /nfs/dbraw/zinc/57/46/57/1258574657.db2.gz QLNPOAAHUFCTIP-HRCADAONSA-N 2 2 330.476 2.353 10 30 EEEELP C=CCCC[NH2+]C[C@H]1CCCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001491156169 1258732640 /nfs/dbraw/zinc/73/26/40/1258732640.db2.gz IXRABFSWZXGDRF-SJORKVTESA-N 2 2 330.476 2.240 10 30 EEEELP C=CCCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)C(C)(C)n3c[nH+]c(C)c3)[C@@H]2C1 ZINC001276690895 1295551987 /nfs/dbraw/zinc/55/19/87/1295551987.db2.gz RYOPPNRFTVCRTE-OSYLJGHBSA-N 2 2 330.476 2.187 10 30 EEEELP C=CCCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)C(C)(C)n3c[nH+]c(C)c3)[C@@H]2C1 ZINC001276690895 1295552003 /nfs/dbraw/zinc/55/20/03/1295552003.db2.gz RYOPPNRFTVCRTE-OSYLJGHBSA-N 2 2 330.476 2.187 10 30 EEEELP C=C(C)C[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)CCCn3cc[nH+]c3)C[C@@H]21 ZINC001278494315 1310750766 /nfs/dbraw/zinc/75/07/66/1310750766.db2.gz OMKWTCJWVDNASW-FGTMMUONSA-N 2 2 330.476 2.456 10 30 EEEELP C=CCCC[N@H+]1CCC[C@H](CNC(=O)Cc2c[nH+]ccc2OC)C1 ZINC001265587237 1323243649 /nfs/dbraw/zinc/24/36/49/1323243649.db2.gz YPHDCINBVCSTRU-MRXNPFEDSA-N 2 2 331.460 2.427 10 30 EEEELP C=CCCC[N@@H+]1CCC[C@H](CNC(=O)Cc2c[nH+]ccc2OC)C1 ZINC001265587237 1323243654 /nfs/dbraw/zinc/24/36/54/1323243654.db2.gz YPHDCINBVCSTRU-MRXNPFEDSA-N 2 2 331.460 2.427 10 30 EEEELP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCCC[N@H+](C)Cc1cccc(C#N)c1 ZINC001265936641 1323500101 /nfs/dbraw/zinc/50/01/01/1323500101.db2.gz BKHYUIPCOYPLBA-OAHLLOKOSA-N 2 2 339.443 2.098 10 30 EEEELP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCCC[N@@H+](C)Cc1cccc(C#N)c1 ZINC001265936641 1323500107 /nfs/dbraw/zinc/50/01/07/1323500107.db2.gz BKHYUIPCOYPLBA-OAHLLOKOSA-N 2 2 339.443 2.098 10 30 EEEELP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCCC[N@H+](C)Cc1cccc(C#N)c1 ZINC001265936641 1323500112 /nfs/dbraw/zinc/50/01/12/1323500112.db2.gz BKHYUIPCOYPLBA-OAHLLOKOSA-N 2 2 339.443 2.098 10 30 EEEELP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCCC[N@@H+](C)Cc1cccc(C#N)c1 ZINC001265936641 1323500116 /nfs/dbraw/zinc/50/01/16/1323500116.db2.gz BKHYUIPCOYPLBA-OAHLLOKOSA-N 2 2 339.443 2.098 10 30 EEEELP C=CCOCC[N@@H+]1C[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C(C)(C)C1 ZINC001276592850 1324683138 /nfs/dbraw/zinc/68/31/38/1324683138.db2.gz CBPRKNGPBAWMLA-QGZVFWFLSA-N 2 2 342.443 2.206 10 30 EEEELP C=CCOCC[N@H+]1C[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C(C)(C)C1 ZINC001276592850 1324683140 /nfs/dbraw/zinc/68/31/40/1324683140.db2.gz CBPRKNGPBAWMLA-QGZVFWFLSA-N 2 2 342.443 2.206 10 30 EEEELP C=CCC[C@@H](C)[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001283051755 1325901373 /nfs/dbraw/zinc/90/13/73/1325901373.db2.gz DDRGTQQCUOXCMS-WCXIOVBPSA-N 2 2 330.476 2.285 10 30 EEEELP C=C(C)C[NH+](CCCNC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1)C1CC1 ZINC001316917096 1331983495 /nfs/dbraw/zinc/98/34/95/1331983495.db2.gz YQLNUUCKSODCMG-GOSISDBHSA-N 2 2 345.491 2.337 10 30 EEEELP C=C(C)C[NH+](CCCNC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1)C1CC1 ZINC001316917096 1331983497 /nfs/dbraw/zinc/98/34/97/1331983497.db2.gz YQLNUUCKSODCMG-GOSISDBHSA-N 2 2 345.491 2.337 10 30 EEEELP C=C(C)C[N@@H+](CCCNC(=O)c1cc([C@H]2CCC[NH+]2C)n[nH]1)C1CC1 ZINC001316917096 1331983499 /nfs/dbraw/zinc/98/34/99/1331983499.db2.gz YQLNUUCKSODCMG-GOSISDBHSA-N 2 2 345.491 2.337 10 30 EEEELP C=C(C)C[N@H+](CCCNC(=O)c1cc([C@H]2CCC[NH+]2C)n[nH]1)C1CC1 ZINC001316917096 1331983501 /nfs/dbraw/zinc/98/35/01/1331983501.db2.gz YQLNUUCKSODCMG-GOSISDBHSA-N 2 2 345.491 2.337 10 30 EEEELP C=C(C)CC[NH2+]C[C@](C)(NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C1CC1 ZINC001318715322 1332582423 /nfs/dbraw/zinc/58/24/23/1332582423.db2.gz UKFXOTSKBFIYFH-MDZRGWNJSA-N 2 2 330.476 2.364 10 30 EEEELP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N(C)CCC[NH2+]Cc1cccc(C#N)c1 ZINC001322731075 1333316033 /nfs/dbraw/zinc/31/60/33/1333316033.db2.gz LWXZPAIEKNZYQX-OAHLLOKOSA-N 2 2 339.443 2.098 10 30 EEEELP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N(C)CCC[NH2+]Cc1cccc(C#N)c1 ZINC001322731075 1333316035 /nfs/dbraw/zinc/31/60/35/1333316035.db2.gz LWXZPAIEKNZYQX-OAHLLOKOSA-N 2 2 339.443 2.098 10 30 EEEELP C=CCC[C@@H](C)[NH+]1CC(N(C)C(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001323981407 1333583560 /nfs/dbraw/zinc/58/35/60/1333583560.db2.gz LSVIPESDQFEPQB-OAHLLOKOSA-N 2 2 346.475 2.381 10 30 EEEELP C#CCC[NH2+]C[C@@]1(C)CCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001324761834 1333754649 /nfs/dbraw/zinc/75/46/49/1333754649.db2.gz BOOVRSAIAJLXSW-HXUWFJFHSA-N 2 2 336.439 2.337 10 30 EEEELP C=C(C)C[NH2+]C[C@@H](CC(C)C)NC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1 ZINC001667086294 1355646747 /nfs/dbraw/zinc/64/67/47/1355646747.db2.gz IYDICDUDELSDSD-QAPCUYQASA-N 2 2 347.507 2.487 10 30 EEEELP C=C(C)C[NH2+]C[C@@H](CC(C)C)NC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1 ZINC001667086294 1355646751 /nfs/dbraw/zinc/64/67/51/1355646751.db2.gz IYDICDUDELSDSD-QAPCUYQASA-N 2 2 347.507 2.487 10 30 EEEELP C=CCC[C@H](C)[N@H+](CCNC(=O)[C@@H]1CCn2c[nH+]cc2C1)C1CC1 ZINC001663735614 1355024279 /nfs/dbraw/zinc/02/42/79/1355024279.db2.gz SQQGFRRWLSSCFP-JKSUJKDBSA-N 2 2 330.476 2.381 10 30 EEEELP C=CCC[C@H](C)[N@@H+](CCNC(=O)[C@@H]1CCn2c[nH+]cc2C1)C1CC1 ZINC001663735614 1355024282 /nfs/dbraw/zinc/02/42/82/1355024282.db2.gz SQQGFRRWLSSCFP-JKSUJKDBSA-N 2 2 330.476 2.381 10 30 EEEELP C=C(C)CC[NH2+]C1(CNC(=O)[C@@H]2CCc3c[nH+]cn3C2)CCCC1 ZINC001666772872 1355589034 /nfs/dbraw/zinc/58/90/34/1355589034.db2.gz ZYPNBUHMXXFRJG-MRXNPFEDSA-N 2 2 330.476 2.430 10 30 EEEELP CN(CCC[NH2+]CC#Cc1ccc(Cl)cc1)C(=O)Cc1c[nH+]c[nH]1 ZINC001670261386 1356306919 /nfs/dbraw/zinc/30/69/19/1356306919.db2.gz MBBGKNCMPGFYRS-UHFFFAOYSA-N 2 2 344.846 2.095 10 30 EEEELP C=CCCC[N@@H+]1CCO[C@H](CNC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001698788912 1405062104 /nfs/dbraw/zinc/06/21/04/1405062104.db2.gz SHIRYUUZJRXVCE-QGZVFWFLSA-N 2 2 342.443 2.040 10 30 EEEELP C=CCCC[N@H+]1CCO[C@H](CNC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001698788912 1405062112 /nfs/dbraw/zinc/06/21/12/1405062112.db2.gz SHIRYUUZJRXVCE-QGZVFWFLSA-N 2 2 342.443 2.040 10 30 EEEELP COCC#CC[NH2+][C@H](C)[C@H]1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001699943224 1405592243 /nfs/dbraw/zinc/59/22/43/1405592243.db2.gz GYNGIWWBFXCEDU-AEFFLSMTSA-N 2 2 343.471 2.097 10 30 EEEELP C[C@H](CNC(=O)C[C@H](C)n1cc[nH+]c1)[NH2+]Cc1ccc(C#N)cc1 ZINC001441961701 1096163079 /nfs/dbraw/zinc/16/30/79/1096163079.db2.gz DZUFOWMACVVOFQ-CABCVRRESA-N 2 2 325.416 2.000 10 30 EEEELP C=CCCCCC[N@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH+]cn3C)C[C@@H]2C1 ZINC001479673347 1098723428 /nfs/dbraw/zinc/72/34/28/1098723428.db2.gz YJHQAORAUAFKMP-MSOLQXFVSA-N 2 2 344.503 2.489 10 30 EEEELP C=CCCCCC[N@@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH+]cn3C)C[C@@H]2C1 ZINC001479673347 1098723440 /nfs/dbraw/zinc/72/34/40/1098723440.db2.gz YJHQAORAUAFKMP-MSOLQXFVSA-N 2 2 344.503 2.489 10 30 EEEELP CC[C@H](CNC(=O)CCCn1cc[nH+]c1)[NH2+]CC#Cc1ccccc1 ZINC001495114913 1100768669 /nfs/dbraw/zinc/76/86/69/1100768669.db2.gz CFVUNKGNQCLVNL-LJQANCHMSA-N 2 2 338.455 2.199 10 30 EEEELP CC[C@@H](CNC(=O)CCCn1cc[nH+]c1)[NH2+]CC#Cc1ccccc1 ZINC001495114910 1100769183 /nfs/dbraw/zinc/76/91/83/1100769183.db2.gz CFVUNKGNQCLVNL-IBGZPJMESA-N 2 2 338.455 2.199 10 30 EEEELP C=C(C)CC[N@@H+]1CC[C@H](CCNC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001494028214 1103383562 /nfs/dbraw/zinc/38/35/62/1103383562.db2.gz APEZVBCIWOALQV-DLBZAZTESA-N 2 2 330.476 2.240 10 30 EEEELP C=C(C)CC[N@H+]1CC[C@H](CCNC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001494028214 1103383575 /nfs/dbraw/zinc/38/35/75/1103383575.db2.gz APEZVBCIWOALQV-DLBZAZTESA-N 2 2 330.476 2.240 10 30 EEEELP C=CCOCC[NH2+][C@H]1CCC[C@@H](NC(=O)c2cccc3[nH+]ccn32)C1 ZINC001480702309 1106915905 /nfs/dbraw/zinc/91/59/05/1106915905.db2.gz LHOFRWCGQKVUCJ-JKSUJKDBSA-N 2 2 342.443 2.168 10 30 EEEELP C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001506002472 1114334875 /nfs/dbraw/zinc/33/48/75/1114334875.db2.gz WSNRSXDBVDHEJO-ZDUSSCGKSA-N 2 2 340.855 2.073 10 30 EEEELP C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001506002472 1114334878 /nfs/dbraw/zinc/33/48/78/1114334878.db2.gz WSNRSXDBVDHEJO-ZDUSSCGKSA-N 2 2 340.855 2.073 10 30 EEEELP C=CCC[NH2+][C@@H]1CCN(C(=O)Cc2cn3c([nH+]2)CCCC3)C[C@@H]1C ZINC001568358077 1124435451 /nfs/dbraw/zinc/43/54/51/1124435451.db2.gz OBEXBVGPGQVGSO-DOTOQJQBSA-N 2 2 330.476 2.165 10 30 EEEELP C=C(C)C[NH2+]CC[C@@H]1CCCCN1C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001568387604 1124458170 /nfs/dbraw/zinc/45/81/70/1124458170.db2.gz ZRKQCKMLVDUYRM-SJORKVTESA-N 2 2 330.476 2.382 10 30 EEEELP CN(CC[N@H+](C)CC#Cc1ccc(F)cc1)C(=O)[C@H]1CCCC[NH+]1C ZINC001568487041 1124544506 /nfs/dbraw/zinc/54/45/06/1124544506.db2.gz PHRIAQDEQRQHCV-LJQANCHMSA-N 2 2 345.462 2.052 10 30 EEEELP CN(CC[N@@H+](C)CC#Cc1ccc(F)cc1)C(=O)[C@H]1CCCC[NH+]1C ZINC001568487041 1124544510 /nfs/dbraw/zinc/54/45/10/1124544510.db2.gz PHRIAQDEQRQHCV-LJQANCHMSA-N 2 2 345.462 2.052 10 30 EEEELP CN(CC[NH+](C)CC#Cc1ccc(F)cc1)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001568487041 1124544516 /nfs/dbraw/zinc/54/45/16/1124544516.db2.gz PHRIAQDEQRQHCV-LJQANCHMSA-N 2 2 345.462 2.052 10 30 EEEELP CN(CC[NH+](C)CC#Cc1ccc(F)cc1)C(=O)[C@H]1CCCC[N@H+]1C ZINC001568487041 1124544522 /nfs/dbraw/zinc/54/45/22/1124544522.db2.gz PHRIAQDEQRQHCV-LJQANCHMSA-N 2 2 345.462 2.052 10 30 EEEELP CN(C)c1[nH+]cc(C[NH2+]C2(c3ccc(C#N)cc3)CCOCC2)n1C ZINC000527807475 267295899 /nfs/dbraw/zinc/29/58/99/267295899.db2.gz CYJBIQONFPZAGH-UHFFFAOYSA-N 2 2 339.443 2.153 10 30 EEEELP N#Cc1ccc(C[NH+]2CCC([NH2+][C@@H]3CCCn4ncnc43)CC2)cc1 ZINC000181869837 464533454 /nfs/dbraw/zinc/53/34/54/464533454.db2.gz RKGFHIKWQPVSPQ-GOSISDBHSA-N 2 2 336.443 2.239 10 30 EEEELP CCC(CC)C[N@H+](CCC#N)CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000362185483 466609703 /nfs/dbraw/zinc/60/97/03/466609703.db2.gz LGQDIDHTJQCARC-UHFFFAOYSA-N 2 2 334.508 2.381 10 30 EEEELP CCC(CC)C[N@@H+](CCC#N)CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000362185483 466609708 /nfs/dbraw/zinc/60/97/08/466609708.db2.gz LGQDIDHTJQCARC-UHFFFAOYSA-N 2 2 334.508 2.381 10 30 EEEELP CC[C@@H](CC#N)[NH2+]CC(=O)N1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000563367940 469237368 /nfs/dbraw/zinc/23/73/68/469237368.db2.gz YAPCGFWHJMHEBZ-AEFFLSMTSA-N 2 2 328.460 2.174 10 30 EEEELP C[C@@H](CC[NH2+]CCS(=O)(=O)c1cccc(C#N)c1)[NH+]1CCCCC1 ZINC000568385230 485568030 /nfs/dbraw/zinc/56/80/30/485568030.db2.gz VDHMSEYMCLQDIA-INIZCTEOSA-N 2 2 349.500 2.186 10 30 EEEELP COC(=O)c1ccc(N[NH+]=Cc2c[nH+]ccc2N(C)C)c(OC)c1 ZINC000776187429 577454224 /nfs/dbraw/zinc/45/42/24/577454224.db2.gz HPZDYNPQMWCILO-UHFFFAOYSA-N 2 2 328.372 2.389 10 30 EEEELP C#CCC[NH2+][C@@H]1CCC[C@@H](NC(=O)Cc2cn3cccc(C)c3[nH+]2)C1 ZINC001772514414 1176493852 /nfs/dbraw/zinc/49/38/52/1176493852.db2.gz JPUOALFVVDFSRF-IAGOWNOFSA-N 2 2 338.455 2.226 10 30 EEEELP C#CC[NH2+]C[C@H](NC(=O)Cc1cn2c([nH+]1)CCCC2)C1CCCCC1 ZINC001268120650 1181767218 /nfs/dbraw/zinc/76/72/18/1181767218.db2.gz PCIFBCFDXOXBQV-SFHVURJKSA-N 2 2 342.487 2.050 10 30 EEEELP C[C@H](CN(C)C(=O)Cc1c[nH+]c[nH]1)[NH2+]CC#Cc1ccccc1Cl ZINC001485925388 1193642237 /nfs/dbraw/zinc/64/22/37/1193642237.db2.gz CCDUZTYQERYTDF-CQSZACIVSA-N 2 2 344.846 2.094 10 30 EEEELP C=C(C)CC[NH2+]CC[C@H]1CCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001272473908 1190839915 /nfs/dbraw/zinc/83/99/15/1190839915.db2.gz CKBAMJHTJSGWNR-DLBZAZTESA-N 2 2 330.476 2.240 10 30 EEEELP C=C(C)CC[NH2+]CC[C@H]1CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001272474954 1190840579 /nfs/dbraw/zinc/84/05/79/1190840579.db2.gz LEPUYZJBQANFND-DLBZAZTESA-N 2 2 330.476 2.240 10 30 EEEELP C=CC[NH+]1CCC(C)(CNC(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)CC1 ZINC001484142664 1191238054 /nfs/dbraw/zinc/23/80/54/1191238054.db2.gz YNPIYUDDBHCPBH-SFHVURJKSA-N 2 2 349.519 2.034 10 30 EEEELP C=CC[NH+]1CCC(C)(CNC(=O)[C@@H]2COCC[N@H+]2C2CCCC2)CC1 ZINC001484142664 1191238056 /nfs/dbraw/zinc/23/80/56/1191238056.db2.gz YNPIYUDDBHCPBH-SFHVURJKSA-N 2 2 349.519 2.034 10 30 EEEELP C=CCC[NH2+][C@H]1CN(C(=O)CCn2cc[nH+]c2)CC[C@H]1C(F)(F)F ZINC001486452128 1193973797 /nfs/dbraw/zinc/97/37/97/1193973797.db2.gz FKFJHOOEDXCECM-KGLIPLIRSA-N 2 2 344.381 2.218 10 30 EEEELP C=C(Cl)C[NH2+]C[C@H]1C[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001410183264 1197589868 /nfs/dbraw/zinc/58/98/68/1197589868.db2.gz SCZXZBMYGLNTDA-CTYIDZIISA-N 2 2 332.835 2.493 10 30 EEEELP C[C@@H](NC(=O)c1cccc2[nH+]ccn21)[C@H](C)[NH2+]CC#Cc1ccccc1 ZINC001275452907 1205366626 /nfs/dbraw/zinc/36/66/26/1205366626.db2.gz SOLSYNCNVBISNA-DLBZAZTESA-N 2 2 346.434 2.482 10 30 EEEELP Cc1cc(C#N)cc(C)c1C[NH+]1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000930071077 1206532899 /nfs/dbraw/zinc/53/28/99/1206532899.db2.gz BEMMAKWIWRCQST-LJQANCHMSA-N 2 2 340.471 2.089 10 30 EEEELP Cc1cc(C#N)cc(C)c1C[NH+]1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000930071077 1206532900 /nfs/dbraw/zinc/53/29/00/1206532900.db2.gz BEMMAKWIWRCQST-LJQANCHMSA-N 2 2 340.471 2.089 10 30 EEEELP CC#CC[NH+]1CCC(CCCCCNC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001273814578 1286326858 /nfs/dbraw/zinc/32/68/58/1286326858.db2.gz PYLXARGFZCMTDA-UHFFFAOYSA-N 2 2 330.476 2.364 10 30 EEEELP C=C(C)Cn1c([C@@H]2CCC[NH+]2C)nnc1N1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC001263301865 1322455893 /nfs/dbraw/zinc/45/58/93/1322455893.db2.gz ZQEZVURPMAMWGH-IKGGRYGDSA-N 2 2 344.507 2.151 10 30 EEEELP C=C(C)Cn1c([C@@H]2CCC[NH+]2C)nnc1N1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC001263301865 1322455895 /nfs/dbraw/zinc/45/58/95/1322455895.db2.gz ZQEZVURPMAMWGH-IKGGRYGDSA-N 2 2 344.507 2.151 10 30 EEEELP C=C(C)Cn1c([C@@H]2CCC[N@@H+]2C)nnc1N1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC001263301865 1322455896 /nfs/dbraw/zinc/45/58/96/1322455896.db2.gz ZQEZVURPMAMWGH-IKGGRYGDSA-N 2 2 344.507 2.151 10 30 EEEELP C=C(C)Cn1c([C@@H]2CCC[N@H+]2C)nnc1N1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC001263301865 1322455899 /nfs/dbraw/zinc/45/58/99/1322455899.db2.gz ZQEZVURPMAMWGH-IKGGRYGDSA-N 2 2 344.507 2.151 10 30 EEEELP C=CCC[N@@H+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001264741655 1322798934 /nfs/dbraw/zinc/79/89/34/1322798934.db2.gz KZFJYHVZDPJSBM-SJORKVTESA-N 2 2 330.476 2.335 10 30 EEEELP C=CCC[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001264741655 1322798937 /nfs/dbraw/zinc/79/89/37/1322798937.db2.gz KZFJYHVZDPJSBM-SJORKVTESA-N 2 2 330.476 2.335 10 30 EEEELP C=CCCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001265408591 1323137242 /nfs/dbraw/zinc/13/72/42/1323137242.db2.gz NWBODFQIQGXKNC-YESZJQIVSA-N 2 2 328.460 2.087 10 30 EEEELP C=CCCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001265408591 1323137244 /nfs/dbraw/zinc/13/72/44/1323137244.db2.gz NWBODFQIQGXKNC-YESZJQIVSA-N 2 2 328.460 2.087 10 30 EEEELP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H](C)[NH2+]CC#Cc1ccccc1Cl ZINC001265855774 1323430329 /nfs/dbraw/zinc/43/03/29/1323430329.db2.gz BVYQQRUJVOYYKI-CYBMUJFWSA-N 2 2 344.846 2.060 10 30 EEEELP C=CCC[C@H](C)[N@H+]1C[C@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C[C@H]2C1 ZINC001279370724 1323890071 /nfs/dbraw/zinc/89/00/71/1323890071.db2.gz IIZKGTWOEZWEAU-FIDHJVLJSA-N 2 2 328.460 2.258 10 30 EEEELP C=CCC[C@H](C)[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C[C@H]2C1 ZINC001279370724 1323890075 /nfs/dbraw/zinc/89/00/75/1323890075.db2.gz IIZKGTWOEZWEAU-FIDHJVLJSA-N 2 2 328.460 2.258 10 30 EEEELP C=CCC[C@H](C)[N@H+]1C[C@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C[C@H]2C1 ZINC001279370724 1323890079 /nfs/dbraw/zinc/89/00/79/1323890079.db2.gz IIZKGTWOEZWEAU-FIDHJVLJSA-N 2 2 328.460 2.258 10 30 EEEELP C=CCC[C@H](C)[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C[C@H]2C1 ZINC001279370724 1323890082 /nfs/dbraw/zinc/89/00/82/1323890082.db2.gz IIZKGTWOEZWEAU-FIDHJVLJSA-N 2 2 328.460 2.258 10 30 EEEELP C=CCOCC[NH2+]C[C@H]1CCCCN1C(=O)c1cccc2[nH+]ccn21 ZINC001280446812 1324231016 /nfs/dbraw/zinc/23/10/16/1324231016.db2.gz SXFDBQMWZOCOKL-MRXNPFEDSA-N 2 2 342.443 2.121 10 30 EEEELP C#CC[NH2+][C@H]1CCCCCN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001316770364 1331883518 /nfs/dbraw/zinc/88/35/18/1331883518.db2.gz JOTOHHHYYBADPW-ZWKOTPCHSA-N 2 2 330.476 2.464 10 30 EEEELP C=CC[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001316873104 1331943084 /nfs/dbraw/zinc/94/30/84/1331943084.db2.gz DVZXPSNLPXJSFA-DOTOQJQBSA-N 2 2 330.476 2.307 10 30 EEEELP C[C@H](CCNC(=O)CCc1c[nH]c[nH+]1)[NH2+]CC#Cc1ccc(F)cc1 ZINC001317394205 1332212324 /nfs/dbraw/zinc/21/23/24/1332212324.db2.gz HNKFQMSRRAPEET-OAHLLOKOSA-N 2 2 342.418 2.018 10 30 EEEELP C[C@H](CCNC(=O)CCc1c[nH+]c[nH]1)[NH2+]CC#Cc1ccc(F)cc1 ZINC001317394205 1332212328 /nfs/dbraw/zinc/21/23/28/1332212328.db2.gz HNKFQMSRRAPEET-OAHLLOKOSA-N 2 2 342.418 2.018 10 30 EEEELP C[C@@H](CC[NH2+]Cc1ccc(C#N)c(F)c1)NC(=O)CCc1c[nH]c[nH+]1 ZINC001320439651 1332884237 /nfs/dbraw/zinc/88/42/37/1332884237.db2.gz OYVDHLVWTFHFJC-ZDUSSCGKSA-N 2 2 343.406 2.038 10 30 EEEELP C[C@@H](CC[NH2+]Cc1ccc(C#N)c(F)c1)NC(=O)CCc1c[nH+]c[nH]1 ZINC001320439651 1332884240 /nfs/dbraw/zinc/88/42/40/1332884240.db2.gz OYVDHLVWTFHFJC-ZDUSSCGKSA-N 2 2 343.406 2.038 10 30 EEEELP C=CCC[C@H](C)[NH2+]CC1(O)CCN(C(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001328195895 1334413087 /nfs/dbraw/zinc/41/30/87/1334413087.db2.gz BKEKICSJHLPHKE-IRXDYDNUSA-N 2 2 348.491 2.132 10 30 EEEELP C#CC[NH+]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2Cc2ccccc2)CC1 ZINC001586494012 1348851338 /nfs/dbraw/zinc/85/13/38/1348851338.db2.gz QISRFIUZUFYKTF-HXUWFJFHSA-N 2 2 339.483 2.209 10 30 EEEELP C#CC[NH+]1CCCN(C(=O)[C@H]2CCCC[N@H+]2Cc2ccccc2)CC1 ZINC001586494012 1348851340 /nfs/dbraw/zinc/85/13/40/1348851340.db2.gz QISRFIUZUFYKTF-HXUWFJFHSA-N 2 2 339.483 2.209 10 30 EEEELP C#CC[N@H+]1CCCN(C(=O)[C@H]2CCCC[NH+]2Cc2ccccc2)CC1 ZINC001586494012 1348851343 /nfs/dbraw/zinc/85/13/43/1348851343.db2.gz QISRFIUZUFYKTF-HXUWFJFHSA-N 2 2 339.483 2.209 10 30 EEEELP C#CC[N@@H+]1CCCN(C(=O)[C@H]2CCCC[NH+]2Cc2ccccc2)CC1 ZINC001586494012 1348851346 /nfs/dbraw/zinc/85/13/46/1348851346.db2.gz QISRFIUZUFYKTF-HXUWFJFHSA-N 2 2 339.483 2.209 10 30 EEEELP C=CCC[C@H](C)[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001656206856 1354214410 /nfs/dbraw/zinc/21/44/10/1354214410.db2.gz IFVOTEBRNYMNPN-NXOAAHMSSA-N 2 2 330.476 2.285 10 30 EEEELP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CC[C@H]1C(F)(F)F ZINC001656668681 1354262150 /nfs/dbraw/zinc/26/21/50/1354262150.db2.gz GXGHDPWQGZVFGR-CHWSQXEVSA-N 2 2 344.381 2.145 10 30 EEEELP C#CCC[N@H+]1CC[C@H](NC(=O)CCCn2cc[nH+]c2)CC(C)(C)C1 ZINC001657106343 1354328421 /nfs/dbraw/zinc/32/84/21/1354328421.db2.gz QKTWEWQQJRGTOY-KRWDZBQOSA-N 2 2 330.476 2.293 10 30 EEEELP C#CCC[N@@H+]1CC[C@H](NC(=O)CCCn2cc[nH+]c2)CC(C)(C)C1 ZINC001657106343 1354328427 /nfs/dbraw/zinc/32/84/27/1354328427.db2.gz QKTWEWQQJRGTOY-KRWDZBQOSA-N 2 2 330.476 2.293 10 30 EEEELP C#CC[NH+]1CCC(N(CCC)C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC001661093889 1354589746 /nfs/dbraw/zinc/58/97/46/1354589746.db2.gz DZARMNBSCJZLRS-KRWDZBQOSA-N 2 2 342.487 2.090 10 30 EEEELP C[NH+](CC(=O)NCC[N@@H+](C)CC#Cc1ccccc1)Cc1ccccc1 ZINC001663342299 1354951179 /nfs/dbraw/zinc/95/11/79/1354951179.db2.gz LWLNYGZFUIDAQP-UHFFFAOYSA-N 2 2 349.478 2.218 10 30 EEEELP C[NH+](CC(=O)NCC[N@H+](C)CC#Cc1ccccc1)Cc1ccccc1 ZINC001663342299 1354951183 /nfs/dbraw/zinc/95/11/83/1354951183.db2.gz LWLNYGZFUIDAQP-UHFFFAOYSA-N 2 2 349.478 2.218 10 30 EEEELP C[NH+](CC#Cc1ccccc1)CCNC(=O)C[N@H+](C)Cc1ccccc1 ZINC001663342299 1354951184 /nfs/dbraw/zinc/95/11/84/1354951184.db2.gz LWLNYGZFUIDAQP-UHFFFAOYSA-N 2 2 349.478 2.218 10 30 EEEELP C[NH+](CC#Cc1ccccc1)CCNC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001663342299 1354951185 /nfs/dbraw/zinc/95/11/85/1354951185.db2.gz LWLNYGZFUIDAQP-UHFFFAOYSA-N 2 2 349.478 2.218 10 30 EEEELP Cc1[nH+]c[nH]c1CC(=O)N(C)CC[NH2+]CC#Cc1ccccc1Cl ZINC001664331434 1355141029 /nfs/dbraw/zinc/14/10/29/1355141029.db2.gz APQWJVQRCVZXBB-UHFFFAOYSA-N 2 2 344.846 2.014 10 30 EEEELP CC[C@H](CNC(=O)Cc1c[nH]c[nH+]1)[NH2+]CC#Cc1ccccc1Cl ZINC001665850338 1355399173 /nfs/dbraw/zinc/39/91/73/1355399173.db2.gz SDBILDBNMXPJNR-OAHLLOKOSA-N 2 2 344.846 2.142 10 30 EEEELP C#CCN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C1CC[NH+](CCCC)CC1 ZINC001671481277 1356346922 /nfs/dbraw/zinc/34/69/22/1356346922.db2.gz FBBONAZMKIGGJZ-IAGOWNOFSA-N 2 2 328.460 2.240 10 30 EEEELP C#CCN(C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C1CC[NH+](CCCC)CC1 ZINC001671481277 1356346927 /nfs/dbraw/zinc/34/69/27/1356346927.db2.gz FBBONAZMKIGGJZ-IAGOWNOFSA-N 2 2 328.460 2.240 10 30 EEEELP CCC[N@H+](C)CC(=O)N[C@H]1C[NH+](Cc2ccccc2C#N)CC1(C)C ZINC001441256011 1094653750 /nfs/dbraw/zinc/65/37/50/1094653750.db2.gz FUQOKQDCESZWOQ-SFHVURJKSA-N 2 2 342.487 2.227 10 30 EEEELP CCC[N@@H+](C)CC(=O)N[C@H]1C[NH+](Cc2ccccc2C#N)CC1(C)C ZINC001441256011 1094653755 /nfs/dbraw/zinc/65/37/55/1094653755.db2.gz FUQOKQDCESZWOQ-SFHVURJKSA-N 2 2 342.487 2.227 10 30 EEEELP CCC[NH+](C)CC(=O)N[C@H]1C[N@H+](Cc2ccccc2C#N)CC1(C)C ZINC001441256011 1094653761 /nfs/dbraw/zinc/65/37/61/1094653761.db2.gz FUQOKQDCESZWOQ-SFHVURJKSA-N 2 2 342.487 2.227 10 30 EEEELP CCC[NH+](C)CC(=O)N[C@H]1C[N@@H+](Cc2ccccc2C#N)CC1(C)C ZINC001441256011 1094653764 /nfs/dbraw/zinc/65/37/64/1094653764.db2.gz FUQOKQDCESZWOQ-SFHVURJKSA-N 2 2 342.487 2.227 10 30 EEEELP C#CCC[N@H+]1CCC2(C1)CCN(C(=O)CCCn1cc[nH+]c1)CC2 ZINC001495605451 1101324191 /nfs/dbraw/zinc/32/41/91/1101324191.db2.gz GWJVFHZJJDRKSR-UHFFFAOYSA-N 2 2 328.460 2.001 10 30 EEEELP C#CCC[N@@H+]1CCC2(C1)CCN(C(=O)CCCn1cc[nH+]c1)CC2 ZINC001495605451 1101324205 /nfs/dbraw/zinc/32/42/05/1101324205.db2.gz GWJVFHZJJDRKSR-UHFFFAOYSA-N 2 2 328.460 2.001 10 30 EEEELP C=CC[N@H+]1CC[C@@H](CCNC(=O)Cc2cn3cccc(C)c3[nH+]2)C1 ZINC001494060063 1103449759 /nfs/dbraw/zinc/44/97/59/1103449759.db2.gz FYZNVAHPXJPRLE-MRXNPFEDSA-N 2 2 326.444 2.199 10 30 EEEELP C=CC[N@@H+]1CC[C@@H](CCNC(=O)Cc2cn3cccc(C)c3[nH+]2)C1 ZINC001494060063 1103449765 /nfs/dbraw/zinc/44/97/65/1103449765.db2.gz FYZNVAHPXJPRLE-MRXNPFEDSA-N 2 2 326.444 2.199 10 30 EEEELP C=CC[NH2+][C@H](C)[C@@H]1CCN(C(=O)Cc2cn3cccc(C)c3[nH+]2)C1 ZINC001501075173 1113189802 /nfs/dbraw/zinc/18/98/02/1113189802.db2.gz DMPXUAXQXCDTON-HZPDHXFCSA-N 2 2 326.444 2.198 10 30 EEEELP C=CCCC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@H]3CCc4c[nH+]cn4C3)[C@@H]2C1 ZINC001501419439 1113353300 /nfs/dbraw/zinc/35/33/00/1113353300.db2.gz MOKCLHKTVXUDPC-JENIJYKNSA-N 2 2 342.487 2.335 10 30 EEEELP C=CCCC[N@H+]1C[C@@H]2CCCN(C(=O)[C@H]3CCc4c[nH+]cn4C3)[C@@H]2C1 ZINC001501419439 1113353301 /nfs/dbraw/zinc/35/33/01/1113353301.db2.gz MOKCLHKTVXUDPC-JENIJYKNSA-N 2 2 342.487 2.335 10 30 EEEELP C#CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)C[NH+]1CCC(C)CC1 ZINC001503692529 1113899927 /nfs/dbraw/zinc/89/99/27/1113899927.db2.gz WHTICOXAERDXFU-FQEVSTJZSA-N 2 2 339.483 2.067 10 30 EEEELP C#CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)C[NH+]1CCC(C)CC1 ZINC001503692529 1113899930 /nfs/dbraw/zinc/89/99/30/1113899930.db2.gz WHTICOXAERDXFU-FQEVSTJZSA-N 2 2 339.483 2.067 10 30 EEEELP C=C(C)C[N@H+]1C[C@@H]2CC[C@H](NC(=O)CCc3[nH+]ccn3C)C[C@@H]2C1 ZINC001506860594 1114927133 /nfs/dbraw/zinc/92/71/33/1114927133.db2.gz XKFHJNYACNDFAW-BBWFWOEESA-N 2 2 330.476 2.146 10 30 EEEELP C=C(C)C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)CCc3[nH+]ccn3C)C[C@@H]2C1 ZINC001506860594 1114927135 /nfs/dbraw/zinc/92/71/35/1114927135.db2.gz XKFHJNYACNDFAW-BBWFWOEESA-N 2 2 330.476 2.146 10 30 EEEELP C#CCC[NH2+][C@H](C)[C@H]1CCCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001568407226 1124475987 /nfs/dbraw/zinc/47/59/87/1124475987.db2.gz QBXSDDCRAIDGMA-SJORKVTESA-N 2 2 330.476 2.167 10 30 EEEELP C=C(C)CC[NH2+][C@@H](CNC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1)C(C)C ZINC001568451439 1124518629 /nfs/dbraw/zinc/51/86/29/1124518629.db2.gz OOQCBTDUKRUDIQ-ROUUACIJSA-N 2 2 347.507 2.487 10 30 EEEELP C=C(C)CC[NH2+][C@@H](CNC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1)C(C)C ZINC001568451439 1124518636 /nfs/dbraw/zinc/51/86/36/1124518636.db2.gz OOQCBTDUKRUDIQ-ROUUACIJSA-N 2 2 347.507 2.487 10 30 EEEELP C[C@H](CC[NH2+]Cc1ccc(C#N)s1)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001568682641 1124695220 /nfs/dbraw/zinc/69/52/20/1124695220.db2.gz OIXVAEDOYAHUJY-KGLIPLIRSA-N 2 2 345.472 2.452 10 30 EEEELP C[N@H+](CC#Cc1ccc(F)cc1)C1CC[NH+](CCn2cccn2)CC1 ZINC000159939730 529823281 /nfs/dbraw/zinc/82/32/81/529823281.db2.gz ZHTFDCKUSXSVHH-UHFFFAOYSA-N 2 2 340.446 2.470 10 30 EEEELP C[N@@H+](CC#Cc1ccc(F)cc1)C1CC[NH+](CCn2cccn2)CC1 ZINC000159939730 529823283 /nfs/dbraw/zinc/82/32/83/529823283.db2.gz ZHTFDCKUSXSVHH-UHFFFAOYSA-N 2 2 340.446 2.470 10 30 EEEELP O=C(NCc1cn2c([nH+]1)CCCC2)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000329093361 539766759 /nfs/dbraw/zinc/76/67/59/539766759.db2.gz AODMGPSISGEKRD-INIZCTEOSA-N 2 2 331.464 2.194 10 30 EEEELP N#Cc1ccc(N2CC[C@H]([NH2+]C[C@H]3CCCn4cc[nH+]c43)C2=O)cc1 ZINC000089780994 283167909 /nfs/dbraw/zinc/16/79/09/283167909.db2.gz VPEUIVQMGIGOGU-WBVHZDCISA-N 2 2 335.411 2.027 10 30 EEEELP COCC[N@@H+]1CCC[C@H]1C[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000375803797 167200460 /nfs/dbraw/zinc/20/04/60/167200460.db2.gz FMHADIKWSSMDEE-FQEVSTJZSA-N 2 2 342.487 2.227 10 30 EEEELP COCC[N@H+]1CCC[C@H]1C[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000375803797 167200462 /nfs/dbraw/zinc/20/04/62/167200462.db2.gz FMHADIKWSSMDEE-FQEVSTJZSA-N 2 2 342.487 2.227 10 30 EEEELP C=CC[C@@H](CC)NC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000341494574 465197769 /nfs/dbraw/zinc/19/77/69/465197769.db2.gz CHHDFLIFBYTOIN-HRBLRVMOSA-N 2 2 334.508 2.294 10 30 EEEELP C=CC[C@@H](CC)NC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000341494574 465197777 /nfs/dbraw/zinc/19/77/77/465197777.db2.gz CHHDFLIFBYTOIN-HRBLRVMOSA-N 2 2 334.508 2.294 10 30 EEEELP C[NH+]1CCC(NC([O-])=[NH+][C@@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)CC1 ZINC000329297135 465290993 /nfs/dbraw/zinc/29/09/93/465290993.db2.gz TUVPUKPXDXOLBS-CQSZACIVSA-N 2 2 333.480 2.093 10 30 EEEELP C=CCCC[N@@H+](C)CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000076736724 462905626 /nfs/dbraw/zinc/90/56/26/462905626.db2.gz VCEBUVFKUABDLX-UHFFFAOYSA-N 2 2 331.460 2.355 10 30 EEEELP C=CCCC[N@H+](C)CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000076736724 462905630 /nfs/dbraw/zinc/90/56/30/462905630.db2.gz VCEBUVFKUABDLX-UHFFFAOYSA-N 2 2 331.460 2.355 10 30 EEEELP CN(CCC#N)C(=O)CC[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000281961083 464649390 /nfs/dbraw/zinc/64/93/90/464649390.db2.gz GDSSXEZYPAMEPP-INIZCTEOSA-N 2 2 343.475 2.161 10 30 EEEELP CN(CCC#N)C(=O)CC[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000281961083 464649396 /nfs/dbraw/zinc/64/93/96/464649396.db2.gz GDSSXEZYPAMEPP-INIZCTEOSA-N 2 2 343.475 2.161 10 30 EEEELP Cc1cc(C[NH+]2CCN(C[C@H]3CCCC[N@H+]3C)CC2)ccc1C#N ZINC000487912010 468059264 /nfs/dbraw/zinc/05/92/64/468059264.db2.gz QJDWXMRKSFYCJX-HXUWFJFHSA-N 2 2 326.488 2.469 10 30 EEEELP Cc1cc(C[NH+]2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)ccc1C#N ZINC000487912010 468059265 /nfs/dbraw/zinc/05/92/65/468059265.db2.gz QJDWXMRKSFYCJX-HXUWFJFHSA-N 2 2 326.488 2.469 10 30 EEEELP COc1ccc(C[NH+]2CCC(CO)([NH2+]CC(C)C)CC2)cc1C#N ZINC000595512466 468883156 /nfs/dbraw/zinc/88/31/56/468883156.db2.gz OGHVQZNSDFACQJ-UHFFFAOYSA-N 2 2 331.460 2.139 10 30 EEEELP C[C@@H](CC(=O)N(C)CC[NH2+]Cc1cc(C#N)ccc1F)n1cc[nH+]c1 ZINC001266848559 1177546672 /nfs/dbraw/zinc/54/66/72/1177546672.db2.gz WNOXKYFCRQLWFJ-AWEZNQCLSA-N 2 2 343.406 2.093 10 30 EEEELP C=C(Cl)C[NH2+]CC[C@@H]1[C@H](C)CCCN1C(=O)Cc1c[nH+]cn1C ZINC001691309741 1177886243 /nfs/dbraw/zinc/88/62/43/1177886243.db2.gz VRBZVMMLWLFLSG-CZUORRHYSA-N 2 2 338.883 2.322 10 30 EEEELP Cc1[nH+]c[nH]c1CC(=O)N[C@H](C)C[NH2+]CC#Cc1cccc(Cl)c1 ZINC001268670907 1183598825 /nfs/dbraw/zinc/59/88/25/1183598825.db2.gz NOHQINXCNIQKDS-CYBMUJFWSA-N 2 2 344.846 2.060 10 30 EEEELP C[C@@H](C[N@H+](C)CC#Cc1ccc(F)cc1)NC(=O)[C@@H]1CCCC[NH+]1C ZINC001268736162 1183657646 /nfs/dbraw/zinc/65/76/46/1183657646.db2.gz QNRBXWWNHIXGDO-LPHOPBHVSA-N 2 2 345.462 2.098 10 30 EEEELP C[C@@H](C[N@@H+](C)CC#Cc1ccc(F)cc1)NC(=O)[C@@H]1CCCC[NH+]1C ZINC001268736162 1183657652 /nfs/dbraw/zinc/65/76/52/1183657652.db2.gz QNRBXWWNHIXGDO-LPHOPBHVSA-N 2 2 345.462 2.098 10 30 EEEELP C[C@@H](C[NH+](C)CC#Cc1ccc(F)cc1)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001268736162 1183657657 /nfs/dbraw/zinc/65/76/57/1183657657.db2.gz QNRBXWWNHIXGDO-LPHOPBHVSA-N 2 2 345.462 2.098 10 30 EEEELP C=CC[NH2+]CC[C@@H]1CCCN(C(=O)[C@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC001269759571 1184596156 /nfs/dbraw/zinc/59/61/56/1184596156.db2.gz DPVPEMLCAWLKGT-PKOBYXMFSA-N 2 2 349.519 2.034 10 30 EEEELP C=CC[NH2+]CC[C@@H]1CCCN(C(=O)[C@H]2COCC[N@H+]2C2CCCC2)C1 ZINC001269759571 1184596161 /nfs/dbraw/zinc/59/61/61/1184596161.db2.gz DPVPEMLCAWLKGT-PKOBYXMFSA-N 2 2 349.519 2.034 10 30 EEEELP C=C(C)CC[NH2+]C[C@]1(C)CCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001270745101 1185361957 /nfs/dbraw/zinc/36/19/57/1185361957.db2.gz UXAREYFMACDWLJ-APWZRJJASA-N 2 2 330.476 2.240 10 30 EEEELP C=CC[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001271705563 1186385372 /nfs/dbraw/zinc/38/53/72/1186385372.db2.gz OVSVAPGVMNHDOG-RDJZCZTQSA-N 2 2 330.476 2.165 10 30 EEEELP CC#CC[N@H+](C)CCC1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001271784705 1186480913 /nfs/dbraw/zinc/48/09/13/1186480913.db2.gz NDHLJNRGFMEFMW-QGZVFWFLSA-N 2 2 330.476 2.418 10 30 EEEELP 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EEEELP C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C(C)(C)C1 ZINC000941040935 779784470 /nfs/dbraw/zinc/78/44/70/779784470.db2.gz BYANSIXPGUVTJV-INMHGKMJSA-N 2 2 330.476 2.316 10 30 EEEELP C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C(C)(C)C1 ZINC000941040935 779784476 /nfs/dbraw/zinc/78/44/76/779784476.db2.gz BYANSIXPGUVTJV-INMHGKMJSA-N 2 2 330.476 2.316 10 30 EEEELP C=C(C)C[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001566121642 1125568985 /nfs/dbraw/zinc/56/89/85/1125568985.db2.gz PUOXXCMDNYDFRZ-SJORKVTESA-N 2 2 330.476 2.335 10 30 EEEELP C=C(C)C[N@@H+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001566121642 1125568989 /nfs/dbraw/zinc/56/89/89/1125568989.db2.gz PUOXXCMDNYDFRZ-SJORKVTESA-N 2 2 330.476 2.335 10 30 EEEELP CN(CC[N@H+](C)Cc1ccc(C#N)cc1)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001496817090 1101524179 /nfs/dbraw/zinc/52/41/79/1101524179.db2.gz RPWZYUVTHQBWDA-UHFFFAOYSA-N 2 2 339.443 2.149 10 30 EEEELP CN(CC[N@@H+](C)Cc1ccc(C#N)cc1)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001496817090 1101524192 /nfs/dbraw/zinc/52/41/92/1101524192.db2.gz RPWZYUVTHQBWDA-UHFFFAOYSA-N 2 2 339.443 2.149 10 30 EEEELP C=CCCC[NH2+]C1(CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)CCCC1 ZINC001495925127 1101771659 /nfs/dbraw/zinc/77/16/59/1101771659.db2.gz YATXZFMOFQZNES-MRXNPFEDSA-N 2 2 330.476 2.430 10 30 EEEELP C=C(C)C[N@@H+](CCOC)C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001499536500 1112351431 /nfs/dbraw/zinc/35/14/31/1112351431.db2.gz ZDRRFQOKYKBQAD-IAGOWNOFSA-N 2 2 346.475 2.029 10 30 EEEELP C=C(C)C[N@H+](CCOC)C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001499536500 1112351437 /nfs/dbraw/zinc/35/14/37/1112351437.db2.gz ZDRRFQOKYKBQAD-IAGOWNOFSA-N 2 2 346.475 2.029 10 30 EEEELP C=C(C)C[N@@H+](CCOC)C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001499536500 1112351443 /nfs/dbraw/zinc/35/14/43/1112351443.db2.gz ZDRRFQOKYKBQAD-IAGOWNOFSA-N 2 2 346.475 2.029 10 30 EEEELP C=C(C)C[N@H+](CCOC)C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001499536500 1112351448 /nfs/dbraw/zinc/35/14/48/1112351448.db2.gz ZDRRFQOKYKBQAD-IAGOWNOFSA-N 2 2 346.475 2.029 10 30 EEEELP C=C(C)CC[NH2+][C@@H](CNC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1)C(C)C ZINC001568451440 1124518868 /nfs/dbraw/zinc/51/88/68/1124518868.db2.gz OOQCBTDUKRUDIQ-ZWKOTPCHSA-N 2 2 347.507 2.487 10 30 EEEELP C=C(C)CC[NH2+][C@@H](CNC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1)C(C)C ZINC001568451440 1124518880 /nfs/dbraw/zinc/51/88/80/1124518880.db2.gz OOQCBTDUKRUDIQ-ZWKOTPCHSA-N 2 2 347.507 2.487 10 30 EEEELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CC(=O)N(CC)C[C@@H](C)C#N)C1 ZINC000105897654 529760699 /nfs/dbraw/zinc/76/06/99/529760699.db2.gz ACOOHQWHSYRHLS-JKSUJKDBSA-N 2 2 331.464 2.091 10 30 EEEELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CC(=O)N(CC)C[C@@H](C)C#N)C1 ZINC000105897654 529760700 /nfs/dbraw/zinc/76/07/00/529760700.db2.gz ACOOHQWHSYRHLS-JKSUJKDBSA-N 2 2 331.464 2.091 10 30 EEEELP Cc1cc(NCC2(O)CC[NH+](Cc3ccccc3)CC2)c(C#N)c[nH+]1 ZINC000398991665 267300282 /nfs/dbraw/zinc/30/02/82/267300282.db2.gz LVWSARJAKDAPCX-UHFFFAOYSA-N 2 2 336.439 2.123 10 30 EEEELP C[C@@H]([NH2+][C@@H]1CCCN(Cc2[nH+]ccn2C)C1=O)c1ccc(C#N)cc1 ZINC000543084349 318150217 /nfs/dbraw/zinc/15/02/17/318150217.db2.gz GJGRZIRRZDMAAZ-RHSMWYFYSA-N 2 2 337.427 2.134 10 30 EEEELP Cc1cn2c([nH+]1)[C@H](CNC(=O)N1C[C@@H]3CCC[N@H+]3C[C@H]1C)CCC2 ZINC000328651210 465088806 /nfs/dbraw/zinc/08/88/06/465088806.db2.gz BHRUGQZZPBIWSB-PMPSAXMXSA-N 2 2 331.464 2.151 10 30 EEEELP Cc1cn2c([nH+]1)[C@H](CNC(=O)N1C[C@@H]3CCC[N@@H+]3C[C@H]1C)CCC2 ZINC000328651210 465088808 /nfs/dbraw/zinc/08/88/08/465088808.db2.gz BHRUGQZZPBIWSB-PMPSAXMXSA-N 2 2 331.464 2.151 10 30 EEEELP Cc1cn2c([nH+]1)[C@H](CNC(=O)N(C)C[C@H]1CCC[N@H+](C)C1)CCC2 ZINC000328700299 465104631 /nfs/dbraw/zinc/10/46/31/465104631.db2.gz IPISQIIPDOANAV-HOTGVXAUSA-N 2 2 333.480 2.257 10 30 EEEELP Cc1cn2c([nH+]1)[C@H](CNC(=O)N(C)C[C@H]1CCC[N@@H+](C)C1)CCC2 ZINC000328700299 465104638 /nfs/dbraw/zinc/10/46/38/465104638.db2.gz IPISQIIPDOANAV-HOTGVXAUSA-N 2 2 333.480 2.257 10 30 EEEELP C=CCOc1ccc(C[NH+]2CCC([NH2+]CCOC)CC2)cc1OC ZINC000521883038 468337808 /nfs/dbraw/zinc/33/78/08/468337808.db2.gz YGQHWASSPJABEV-UHFFFAOYSA-N 2 2 334.460 2.460 10 30 EEEELP C=CCNC(=O)C[NH+]1CCN(c2cc[nH+]c3ccc(Cl)cc32)CC1 ZINC000358882491 465363596 /nfs/dbraw/zinc/36/35/96/465363596.db2.gz PCRJSVRCNACPDG-UHFFFAOYSA-N 2 2 344.846 2.312 10 30 EEEELP COc1c[nH+]ccc1N1CC[NH+](Cc2ccc(C#N)cc2OC)CC1 ZINC000361532226 466080702 /nfs/dbraw/zinc/08/07/02/466080702.db2.gz WMYDZJQIOBHGIW-UHFFFAOYSA-N 2 2 338.411 2.293 10 30 EEEELP C=CCCC[N@@H+]1C[C@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)C(C)(C)C1 ZINC001485570982 1191840086 /nfs/dbraw/zinc/84/00/86/1191840086.db2.gz XSWFRKMOIUGVGY-HOTGVXAUSA-N 2 2 330.476 2.238 10 30 EEEELP C=CCCC[N@H+]1C[C@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)C(C)(C)C1 ZINC001485570982 1191840088 /nfs/dbraw/zinc/84/00/88/1191840088.db2.gz XSWFRKMOIUGVGY-HOTGVXAUSA-N 2 2 330.476 2.238 10 30 EEEELP CC(C)[N@H+](C)CC(=O)N[C@H]1C[NH+](Cc2ccc(C#N)s2)CC1(C)C ZINC001485588074 1191858154 /nfs/dbraw/zinc/85/81/54/1191858154.db2.gz XKTGHOZUAZZOHT-INIZCTEOSA-N 2 2 348.516 2.287 10 30 EEEELP CC(C)[N@@H+](C)CC(=O)N[C@H]1C[NH+](Cc2ccc(C#N)s2)CC1(C)C ZINC001485588074 1191858155 /nfs/dbraw/zinc/85/81/55/1191858155.db2.gz XKTGHOZUAZZOHT-INIZCTEOSA-N 2 2 348.516 2.287 10 30 EEEELP CC(C)[NH+](C)CC(=O)N[C@H]1C[N@H+](Cc2ccc(C#N)s2)CC1(C)C ZINC001485588074 1191858156 /nfs/dbraw/zinc/85/81/56/1191858156.db2.gz XKTGHOZUAZZOHT-INIZCTEOSA-N 2 2 348.516 2.287 10 30 EEEELP CC(C)[NH+](C)CC(=O)N[C@H]1C[N@@H+](Cc2ccc(C#N)s2)CC1(C)C ZINC001485588074 1191858157 /nfs/dbraw/zinc/85/81/57/1191858157.db2.gz XKTGHOZUAZZOHT-INIZCTEOSA-N 2 2 348.516 2.287 10 30 EEEELP C=C(Br)C[NH2+]CCC[C@@H](C)NC(=O)Cc1[nH]c[nH+]c1C ZINC001485746468 1191929476 /nfs/dbraw/zinc/92/94/76/1191929476.db2.gz HNMZHNKUEQFINV-LLVKDONJSA-N 2 2 343.269 2.044 10 30 EEEELP CC#CC[NH+]1CCC2(C[C@@H](C)N(C(=O)CCCn3cc[nH+]c3)C2)CC1 ZINC001691276775 1177808691 /nfs/dbraw/zinc/80/86/91/1177808691.db2.gz CRTANDDAUAKTNG-GOSISDBHSA-N 2 2 342.487 2.390 10 30 EEEELP C=CCC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001691361025 1177964414 /nfs/dbraw/zinc/96/44/14/1177964414.db2.gz VQZGXVICDSMRHO-NUJGCVRESA-N 2 2 330.476 2.238 10 30 EEEELP C[C@@H]1CC[N@H+](CC(=O)NCC[NH+](C)CC#Cc2ccccc2Cl)C1 ZINC001267218034 1178523052 /nfs/dbraw/zinc/52/30/52/1178523052.db2.gz WQIQEPCKQHNINC-MRXNPFEDSA-N 2 2 347.890 2.081 10 30 EEEELP C[C@@H]1CC[NH+](CC(=O)NCC[N@H+](C)CC#Cc2ccccc2Cl)C1 ZINC001267218034 1178523062 /nfs/dbraw/zinc/52/30/62/1178523062.db2.gz WQIQEPCKQHNINC-MRXNPFEDSA-N 2 2 347.890 2.081 10 30 EEEELP C[C@@H]1CC[NH+](CC(=O)NCC[N@@H+](C)CC#Cc2ccccc2Cl)C1 ZINC001267218034 1178523067 /nfs/dbraw/zinc/52/30/67/1178523067.db2.gz WQIQEPCKQHNINC-MRXNPFEDSA-N 2 2 347.890 2.081 10 30 EEEELP C=CCOCC[N@H+]1CCC[C@@H]1CNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001481038900 1179590131 /nfs/dbraw/zinc/59/01/31/1179590131.db2.gz HYGILTCHWGOVHT-QGZVFWFLSA-N 2 2 342.443 2.040 10 30 EEEELP C=C(C)C[N@H+](C)CC1CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC001267601397 1179645740 /nfs/dbraw/zinc/64/57/40/1179645740.db2.gz NKGQYSNDQYXRGE-KRWDZBQOSA-N 2 2 330.476 2.192 10 30 EEEELP C=C(C)C[N@@H+](C)CC1CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC001267601397 1179645745 /nfs/dbraw/zinc/64/57/45/1179645745.db2.gz NKGQYSNDQYXRGE-KRWDZBQOSA-N 2 2 330.476 2.192 10 30 EEEELP C=C(C)CC[N@@H+](C)CCC1CCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC001268201448 1182002919 /nfs/dbraw/zinc/00/29/19/1182002919.db2.gz OAUCNZNSNNJLOA-UHFFFAOYSA-N 2 2 332.492 2.489 10 30 EEEELP C=C(C)CC[N@H+](C)CCC1CCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC001268201448 1182002927 /nfs/dbraw/zinc/00/29/27/1182002927.db2.gz OAUCNZNSNNJLOA-UHFFFAOYSA-N 2 2 332.492 2.489 10 30 EEEELP C=CCCCCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001481690700 1182216159 /nfs/dbraw/zinc/21/61/59/1182216159.db2.gz WCISTAHEEYGSMZ-SJORKVTESA-N 2 2 330.476 2.382 10 30 EEEELP C=CCCCCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001481690700 1182216166 /nfs/dbraw/zinc/21/61/66/1182216166.db2.gz WCISTAHEEYGSMZ-SJORKVTESA-N 2 2 330.476 2.382 10 30 EEEELP C=CCCCCC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001269583603 1184406855 /nfs/dbraw/zinc/40/68/55/1184406855.db2.gz NFPPXVYKRBSMQV-CEXWTWQISA-N 2 2 349.519 2.129 10 30 EEEELP C=CCCCCC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001269583603 1184406858 /nfs/dbraw/zinc/40/68/58/1184406858.db2.gz NFPPXVYKRBSMQV-CEXWTWQISA-N 2 2 349.519 2.129 10 30 EEEELP C=CCCCCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[NH+](C)CCO1 ZINC001269583603 1184406864 /nfs/dbraw/zinc/40/68/64/1184406864.db2.gz NFPPXVYKRBSMQV-CEXWTWQISA-N 2 2 349.519 2.129 10 30 EEEELP C=CCCCCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[NH+](C)CCO1 ZINC001269583603 1184406867 /nfs/dbraw/zinc/40/68/67/1184406867.db2.gz NFPPXVYKRBSMQV-CEXWTWQISA-N 2 2 349.519 2.129 10 30 EEEELP C#CCN(C(=O)Cn1cc[nH+]c1)C1CC[NH+](CC2=CCCCC2)CC1 ZINC001270368897 1185052938 /nfs/dbraw/zinc/05/29/38/1185052938.db2.gz KCMHSIDGLKXDAG-UHFFFAOYSA-N 2 2 340.471 2.310 10 30 EEEELP C=C(C)CC[NH2+]CC[C@@H]1CCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001272473910 1190839836 /nfs/dbraw/zinc/83/98/36/1190839836.db2.gz CKBAMJHTJSGWNR-IAGOWNOFSA-N 2 2 330.476 2.240 10 30 EEEELP C#CCN(C(=O)Cn1cc[nH+]c1)C1CC[NH+](C[C@H](C)CC(C)C)CC1 ZINC001483992933 1191146859 /nfs/dbraw/zinc/14/68/59/1191146859.db2.gz RQDFXDPKHDCTHT-GOSISDBHSA-N 2 2 344.503 2.492 10 30 EEEELP C=C(C)CC[N@@H+](C)C[C@H]1CCCN1C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001485064110 1191633918 /nfs/dbraw/zinc/63/39/18/1191633918.db2.gz YZRZZDRTCLYNGS-IAGOWNOFSA-N 2 2 330.476 2.335 10 30 EEEELP C=C(C)CC[N@H+](C)C[C@H]1CCCN1C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001485064110 1191633920 /nfs/dbraw/zinc/63/39/20/1191633920.db2.gz YZRZZDRTCLYNGS-IAGOWNOFSA-N 2 2 330.476 2.335 10 30 EEEELP CC#CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)c3cc4c[nH+]ccc4[nH]3)C[C@@H]21 ZINC001486161843 1193707271 /nfs/dbraw/zinc/70/72/71/1193707271.db2.gz QBSJNLZDOLTDJV-QILLFSRXSA-N 2 2 336.439 2.417 10 30 EEEELP C=CCC[NH2+][C@@H]1CN(C(=O)CCn2cc[nH+]c2)CC[C@@H]1C(F)(F)F ZINC001486452130 1193973635 /nfs/dbraw/zinc/97/36/35/1193973635.db2.gz FKFJHOOEDXCECM-UONOGXRCSA-N 2 2 344.381 2.218 10 30 EEEELP COC(=O)[C@H](c1ccc(C#N)cc1)[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000866665593 1201574438 /nfs/dbraw/zinc/57/44/38/1201574438.db2.gz HCNFPOWWKMVUTL-MSOLQXFVSA-N 2 2 327.428 2.094 10 30 EEEELP C=CCCC[N@@H+](CC)[C@H](C)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000934644154 1207996868 /nfs/dbraw/zinc/99/68/68/1207996868.db2.gz AKSFKGHOKGYBGP-QGZVFWFLSA-N 2 2 330.476 2.407 10 30 EEEELP C=CCCC[N@H+](CC)[C@H](C)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000934644154 1207996871 /nfs/dbraw/zinc/99/68/71/1207996871.db2.gz AKSFKGHOKGYBGP-QGZVFWFLSA-N 2 2 330.476 2.407 10 30 EEEELP C[NH+]1CCC(CNC(=[NH2+])N2CCCCCC2)([NH+]2CCCCC2)CC1 ZINC000305048275 1216136909 /nfs/dbraw/zinc/13/69/09/1216136909.db2.gz GHPLJYGICAAKPA-UHFFFAOYSA-N 3 2 335.540 2.127 10 30 EEEELP CCC1([NH+]2CCOCC2)CC[NH+](C[C@@H](O)c2ccc(C#N)cc2)CC1 ZINC000860029168 1294764014 /nfs/dbraw/zinc/76/40/14/1294764014.db2.gz WUIVATBOMYYRGW-LJQANCHMSA-N 2 2 343.471 2.168 10 30 EEEELP C#CCN(C(=O)Cc1[nH]c[nH+]c1C)C1CC[NH+](CCCCC)CC1 ZINC001278200482 1306283034 /nfs/dbraw/zinc/28/30/34/1306283034.db2.gz KOZKGFKCAMZRAK-UHFFFAOYSA-N 2 2 330.476 2.377 10 30 EEEELP C=CCCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001265408592 1323136912 /nfs/dbraw/zinc/13/69/12/1323136912.db2.gz NWBODFQIQGXKNC-ZACQAIPSSA-N 2 2 328.460 2.087 10 30 EEEELP C=CCCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001265408592 1323136918 /nfs/dbraw/zinc/13/69/18/1323136918.db2.gz NWBODFQIQGXKNC-ZACQAIPSSA-N 2 2 328.460 2.087 10 30 EEEELP C=CCC[NH2+]C1(CC)CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001281031014 1324730372 /nfs/dbraw/zinc/73/03/72/1324730372.db2.gz JDGDIEHZNVWQBF-HZPDHXFCSA-N 2 2 330.476 2.461 10 30 EEEELP C=CCCC[N@H+]1CC=C(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001284957642 1326794880 /nfs/dbraw/zinc/79/48/80/1326794880.db2.gz SQGHAOFJYOMZLV-IAGOWNOFSA-N 2 2 328.460 2.238 10 30 EEEELP C=CCCC[N@@H+]1CC=C(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001284957642 1326794883 /nfs/dbraw/zinc/79/48/83/1326794883.db2.gz SQGHAOFJYOMZLV-IAGOWNOFSA-N 2 2 328.460 2.238 10 30 EEEELP C=C(C)CC[NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001317190306 1332122858 /nfs/dbraw/zinc/12/28/58/1332122858.db2.gz RQKKYDUYKWGJHI-IRXDYDNUSA-N 2 2 330.476 2.382 10 30 EEEELP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](C)[C@@H](C)c1ccc(F)cc1F ZINC001317450579 1332247782 /nfs/dbraw/zinc/24/77/82/1332247782.db2.gz VQGUCDBEGAUZMH-KSSFIOAISA-N 2 2 349.425 2.171 10 30 EEEELP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@H+](C)[C@@H](C)c1ccc(F)cc1F ZINC001317450579 1332247786 /nfs/dbraw/zinc/24/77/86/1332247786.db2.gz VQGUCDBEGAUZMH-KSSFIOAISA-N 2 2 349.425 2.171 10 30 EEEELP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH+](C)[C@@H](C)c1ccc(F)cc1F ZINC001317450579 1332247788 /nfs/dbraw/zinc/24/77/88/1332247788.db2.gz VQGUCDBEGAUZMH-KSSFIOAISA-N 2 2 349.425 2.171 10 30 EEEELP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](C)[C@@H](C)c1ccc(F)cc1F ZINC001317450579 1332247791 /nfs/dbraw/zinc/24/77/91/1332247791.db2.gz VQGUCDBEGAUZMH-KSSFIOAISA-N 2 2 349.425 2.171 10 30 EEEELP C#CCC[NH2+][C@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)[C@@H](C)C1 ZINC001324071577 1333601650 /nfs/dbraw/zinc/60/16/50/1333601650.db2.gz GCSNKVXOSLPZQU-WMZOPIPTSA-N 2 2 336.439 2.478 10 30 EEEELP C=C(C[NH+](C)C)C(=O)NCCc1cn(Cc2ccc(Cl)cc2)c[nH+]1 ZINC001558835830 1342489960 /nfs/dbraw/zinc/48/99/60/1342489960.db2.gz GSJBFOMMWQZCLT-UHFFFAOYSA-N 2 2 346.862 2.361 10 30 EEEELP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1([NH2+][C@@H](C)c2ccccc2F)CC1 ZINC001569404017 1342865242 /nfs/dbraw/zinc/86/52/42/1342865242.db2.gz ACLDAVUEUYOJCF-YJBOKZPZSA-N 2 2 343.446 2.223 10 30 EEEELP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+][C@@H](C)c2ccccc2F)CC1 ZINC001569404017 1342865244 /nfs/dbraw/zinc/86/52/44/1342865244.db2.gz ACLDAVUEUYOJCF-YJBOKZPZSA-N 2 2 343.446 2.223 10 30 EEEELP C=C(C)CC[N@@H+]1CC[C@]2(NC(=O)CCc3c[nH+]cn3C)CCC[C@H]12 ZINC001676819941 1357212070 /nfs/dbraw/zinc/21/20/70/1357212070.db2.gz DYVIXCZFJSORNQ-PKOBYXMFSA-N 2 2 330.476 2.432 10 30 EEEELP C=C(C)CC[N@H+]1CC[C@]2(NC(=O)CCc3c[nH+]cn3C)CCC[C@H]12 ZINC001676819941 1357212076 /nfs/dbraw/zinc/21/20/76/1357212076.db2.gz DYVIXCZFJSORNQ-PKOBYXMFSA-N 2 2 330.476 2.432 10 30 EEEELP CC#CC[NH2+]CC[C@H]1[C@H](C)CCCN1C(=O)CCCn1cc[nH+]c1 ZINC001656454875 1354239966 /nfs/dbraw/zinc/23/99/66/1354239966.db2.gz VRMFRJMJROIVTP-MSOLQXFVSA-N 2 2 330.476 2.293 10 30 EEEELP C[C@@H](C[NH2+]CC#Cc1ccc(Cl)cc1)NC(=O)CCn1cc[nH+]c1 ZINC001699415192 1405351166 /nfs/dbraw/zinc/35/11/66/1405351166.db2.gz QZPMBQNKMFPLIS-HNNXBMFYSA-N 2 2 344.846 2.073 10 30 EEEELP C=C(C)C[N@H+]1CC[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)C(C)(C)C1 ZINC000940853808 779438806 /nfs/dbraw/zinc/43/88/06/779438806.db2.gz UNEYJXHZZJCUDM-MRXNPFEDSA-N 2 2 334.464 2.143 10 30 EEEELP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)C(C)(C)C1 ZINC000940853808 779438809 /nfs/dbraw/zinc/43/88/09/779438809.db2.gz UNEYJXHZZJCUDM-MRXNPFEDSA-N 2 2 334.464 2.143 10 30 EEEELP CN(CCC#N)c1ccc(C[NH2+]C[C@@H]2CC[N@@H+]2C2CCOCC2)cc1 ZINC000922951442 788428089 /nfs/dbraw/zinc/42/80/89/788428089.db2.gz OEDGPVXZXPPAMB-FQEVSTJZSA-N 2 2 342.487 2.379 10 30 EEEELP CN(CCC#N)c1ccc(C[NH2+]C[C@@H]2CC[N@H+]2C2CCOCC2)cc1 ZINC000922951442 788428095 /nfs/dbraw/zinc/42/80/95/788428095.db2.gz OEDGPVXZXPPAMB-FQEVSTJZSA-N 2 2 342.487 2.379 10 30 EEEELP C[C@H](CC(=O)N(C)[C@@H](C)C[NH2+]Cc1ccc(C#N)s1)n1cc[nH+]c1 ZINC001444685083 1099532942 /nfs/dbraw/zinc/53/29/42/1099532942.db2.gz MMVUKHBFEZJBDO-KGLIPLIRSA-N 2 2 345.472 2.404 10 30 EEEELP C#CC[N@@H+](CCNC(=O)[C@H](C)Cc1c[nH]c[nH+]1)C1CCCCCC1 ZINC001499523040 1112339778 /nfs/dbraw/zinc/33/97/78/1112339778.db2.gz XPQPOTABNFFIQV-MRXNPFEDSA-N 2 2 330.476 2.363 10 30 EEEELP C#CC[N@H+](CCNC(=O)[C@H](C)Cc1c[nH]c[nH+]1)C1CCCCCC1 ZINC001499523040 1112339782 /nfs/dbraw/zinc/33/97/82/1112339782.db2.gz XPQPOTABNFFIQV-MRXNPFEDSA-N 2 2 330.476 2.363 10 30 EEEELP C#CC[N@@H+](CCNC(=O)[C@H](C)Cc1c[nH+]c[nH]1)C1CCCCCC1 ZINC001499523040 1112339788 /nfs/dbraw/zinc/33/97/88/1112339788.db2.gz XPQPOTABNFFIQV-MRXNPFEDSA-N 2 2 330.476 2.363 10 30 EEEELP C#CC[N@H+](CCNC(=O)[C@H](C)Cc1c[nH+]c[nH]1)C1CCCCCC1 ZINC001499523040 1112339794 /nfs/dbraw/zinc/33/97/94/1112339794.db2.gz XPQPOTABNFFIQV-MRXNPFEDSA-N 2 2 330.476 2.363 10 30 EEEELP C=CCCC[NH+](C)[C@@H](C)CNC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC001505986234 1114322120 /nfs/dbraw/zinc/32/21/20/1114322120.db2.gz SCJIMLFPBRQCKJ-WMZOPIPTSA-N 2 2 337.508 2.033 10 30 EEEELP C=CCCC[NH+](C)[C@@H](C)CNC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC001505986234 1114322124 /nfs/dbraw/zinc/32/21/24/1114322124.db2.gz SCJIMLFPBRQCKJ-WMZOPIPTSA-N 2 2 337.508 2.033 10 30 EEEELP C=CCCC[N@@H+](C)[C@@H](C)CNC(=O)[C@@H]1COCC[NH+]1C1CCCC1 ZINC001505986234 1114322128 /nfs/dbraw/zinc/32/21/28/1114322128.db2.gz SCJIMLFPBRQCKJ-WMZOPIPTSA-N 2 2 337.508 2.033 10 30 EEEELP C=CCCC[N@H+](C)[C@@H](C)CNC(=O)[C@@H]1COCC[NH+]1C1CCCC1 ZINC001505986234 1114322131 /nfs/dbraw/zinc/32/21/31/1114322131.db2.gz SCJIMLFPBRQCKJ-WMZOPIPTSA-N 2 2 337.508 2.033 10 30 EEEELP CC#CC[NH2+]C[C@H]1CC[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001507410250 1115255611 /nfs/dbraw/zinc/25/56/11/1115255611.db2.gz PSUWUYIYMDBEQF-FUHWJXTLSA-N 2 2 336.439 2.384 10 30 EEEELP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N(C)[C@@H](C)C[NH2+]CC#Cc1ccccc1 ZINC001568305080 1124412651 /nfs/dbraw/zinc/41/26/51/1124412651.db2.gz XSOWKZYATIIANZ-IRXDYDNUSA-N 2 2 338.455 2.077 10 30 EEEELP C[C@@H](CNC(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C)C[NH+]1CCOCC1 ZINC000329052660 465216909 /nfs/dbraw/zinc/21/69/09/465216909.db2.gz WYKTVDVSHMVUJG-GVDBMIGSSA-N 2 2 346.475 2.079 10 30 EEEELP C[NH+]1CCC(CNC(=[NH2+])NC2CCCCC2)([NH+]2CCCCC2)CC1 ZINC000262508120 464031432 /nfs/dbraw/zinc/03/14/32/464031432.db2.gz BWPBSTOBECUEDI-UHFFFAOYSA-N 3 2 335.540 2.174 10 30 EEEELP CC1([NH+]2CCOCC2)CC[NH+](CCCC2(C#N)CCOCC2)CC1 ZINC000528726323 467740061 /nfs/dbraw/zinc/74/00/61/467740061.db2.gz GQUONXZVUAEUFN-UHFFFAOYSA-N 2 2 335.492 2.274 10 30 EEEELP CO[C@@H](C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)[C@@H]1CCOC1 ZINC000594953563 468729797 /nfs/dbraw/zinc/72/97/97/468729797.db2.gz UWUCRSYMALJZPW-QUCCMNQESA-N 2 2 343.471 2.164 10 30 EEEELP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1ccc(C(C)(C)C#N)cc1 ZINC000597989277 468733587 /nfs/dbraw/zinc/73/35/87/468733587.db2.gz BGNDNHBJVAGDIF-UHFFFAOYSA-N 2 2 330.476 2.101 10 30 EEEELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1ccc(C(C)(C)C#N)cc1 ZINC000597989277 468733592 /nfs/dbraw/zinc/73/35/92/468733592.db2.gz BGNDNHBJVAGDIF-UHFFFAOYSA-N 2 2 330.476 2.101 10 30 EEEELP C[NH+](C)CCC[C@@H]1C[N@H+](Cc2cn3ccccc3c2C#N)CCO1 ZINC000595905226 469075057 /nfs/dbraw/zinc/07/50/57/469075057.db2.gz AIAAKECKLMRCGO-QGZVFWFLSA-N 2 2 326.444 2.354 10 30 EEEELP C[NH+](C)CCC[C@@H]1C[N@@H+](Cc2cn3ccccc3c2C#N)CCO1 ZINC000595905226 469075063 /nfs/dbraw/zinc/07/50/63/469075063.db2.gz AIAAKECKLMRCGO-QGZVFWFLSA-N 2 2 326.444 2.354 10 30 EEEELP C=CCCC(C)(C)CNC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000633042845 470330305 /nfs/dbraw/zinc/33/03/05/470330305.db2.gz UEYKTYRIIMARLR-MRXNPFEDSA-N 2 2 336.524 2.447 10 30 EEEELP C=CCCC(C)(C)CNC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000633042845 470330308 /nfs/dbraw/zinc/33/03/08/470330308.db2.gz UEYKTYRIIMARLR-MRXNPFEDSA-N 2 2 336.524 2.447 10 30 EEEELP C=CC[C@H]1CC[C@H]([NH2+]CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000651692540 471085062 /nfs/dbraw/zinc/08/50/62/471085062.db2.gz JEWIZHGNQRGDSD-ROUUACIJSA-N 2 2 342.487 2.455 10 30 EEEELP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCCC[C@H]2c2ccc(F)cc2)CC1 ZINC000752324419 577769152 /nfs/dbraw/zinc/76/91/52/577769152.db2.gz DIQVZEMQGXQAEW-IBGZPJMESA-N 2 2 343.446 2.130 10 30 EEEELP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCCC[C@H]2c2ccc(F)cc2)CC1 ZINC000752324419 577769153 /nfs/dbraw/zinc/76/91/53/577769153.db2.gz DIQVZEMQGXQAEW-IBGZPJMESA-N 2 2 343.446 2.130 10 30 EEEELP C=CCCC[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC001485692366 1191901611 /nfs/dbraw/zinc/90/16/11/1191901611.db2.gz FZAHZHOZMZQHFG-ZHALLVOQSA-N 2 2 349.519 2.080 10 30 EEEELP C=CCCC[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2COCC[N@H+]2C2CCCC2)C1 ZINC001485692366 1191901614 /nfs/dbraw/zinc/90/16/14/1191901614.db2.gz FZAHZHOZMZQHFG-ZHALLVOQSA-N 2 2 349.519 2.080 10 30 EEEELP CCC[N@H+](C)CC(=O)N[C@H]1CC[NH+](CC#Cc2ccc(Cl)cc2)C1 ZINC001266352575 1176377915 /nfs/dbraw/zinc/37/79/15/1176377915.db2.gz DJXXDTAEYIURNT-SFHVURJKSA-N 2 2 347.890 2.224 10 30 EEEELP CCC[N@@H+](C)CC(=O)N[C@H]1CC[NH+](CC#Cc2ccc(Cl)cc2)C1 ZINC001266352575 1176377924 /nfs/dbraw/zinc/37/79/24/1176377924.db2.gz DJXXDTAEYIURNT-SFHVURJKSA-N 2 2 347.890 2.224 10 30 EEEELP CCC[NH+](C)CC(=O)N[C@H]1CC[N@@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC001266352575 1176377943 /nfs/dbraw/zinc/37/79/43/1176377943.db2.gz DJXXDTAEYIURNT-SFHVURJKSA-N 2 2 347.890 2.224 10 30 EEEELP CC#CC[N@H+](CCCNC(=O)Cc1cn2cccc(C)c2[nH+]1)C(C)C ZINC001267328599 1178764430 /nfs/dbraw/zinc/76/44/30/1178764430.db2.gz BCDUMCLMBIXZOL-UHFFFAOYSA-N 2 2 340.471 2.425 10 30 EEEELP CC#CC[N@@H+](CCCNC(=O)Cc1cn2cccc(C)c2[nH+]1)C(C)C ZINC001267328599 1178764436 /nfs/dbraw/zinc/76/44/36/1178764436.db2.gz BCDUMCLMBIXZOL-UHFFFAOYSA-N 2 2 340.471 2.425 10 30 EEEELP C#CC[NH2+][C@H](CNC(=O)Cc1[nH]c[nH+]c1C)c1ccc(C(C)C)cc1 ZINC001267345844 1178797325 /nfs/dbraw/zinc/79/73/25/1178797325.db2.gz INYMPNHCUZNCCU-LJQANCHMSA-N 2 2 338.455 2.464 10 30 EEEELP C=CCC[C@H](C)[N@@H+]1CCO[C@@H](CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001268024818 1181042956 /nfs/dbraw/zinc/04/29/56/1181042956.db2.gz LQHVAPQEZFNKGI-HOCLYGCPSA-N 2 2 342.443 2.348 10 30 EEEELP C=CCC[C@H](C)[N@H+]1CCO[C@@H](CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001268024818 1181042963 /nfs/dbraw/zinc/04/29/63/1181042963.db2.gz LQHVAPQEZFNKGI-HOCLYGCPSA-N 2 2 342.443 2.348 10 30 EEEELP C=CC[N@@H+](CCCNC(=O)[C@@H]1COCC[NH+]1C1CCCC1)C(C)C ZINC001481353770 1181102346 /nfs/dbraw/zinc/10/23/46/1181102346.db2.gz PEHAHTNLPLBPGB-SFHVURJKSA-N 2 2 337.508 2.033 10 30 EEEELP C=CC[N@H+](CCCNC(=O)[C@@H]1COCC[NH+]1C1CCCC1)C(C)C ZINC001481353770 1181102349 /nfs/dbraw/zinc/10/23/49/1181102349.db2.gz PEHAHTNLPLBPGB-SFHVURJKSA-N 2 2 337.508 2.033 10 30 EEEELP C=CC[NH+](CCCNC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1)C(C)C ZINC001481353770 1181102361 /nfs/dbraw/zinc/10/23/61/1181102361.db2.gz PEHAHTNLPLBPGB-SFHVURJKSA-N 2 2 337.508 2.033 10 30 EEEELP C=CC[NH+](CCCNC(=O)[C@@H]1COCC[N@H+]1C1CCCC1)C(C)C ZINC001481353770 1181102372 /nfs/dbraw/zinc/10/23/72/1181102372.db2.gz PEHAHTNLPLBPGB-SFHVURJKSA-N 2 2 337.508 2.033 10 30 EEEELP C#CCC[N@@H+](C)Cc1ccccc1CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001272675087 1191017957 /nfs/dbraw/zinc/01/79/57/1191017957.db2.gz GJMQDCCQCFTADI-INIZCTEOSA-N 2 2 338.455 2.360 10 30 EEEELP C#CCC[N@H+](C)Cc1ccccc1CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001272675087 1191017960 /nfs/dbraw/zinc/01/79/60/1191017960.db2.gz GJMQDCCQCFTADI-INIZCTEOSA-N 2 2 338.455 2.360 10 30 EEEELP C#CCC[N@@H+](C)Cc1ccccc1CNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001272675087 1191017963 /nfs/dbraw/zinc/01/79/63/1191017963.db2.gz GJMQDCCQCFTADI-INIZCTEOSA-N 2 2 338.455 2.360 10 30 EEEELP C#CCC[N@H+](C)Cc1ccccc1CNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001272675087 1191017967 /nfs/dbraw/zinc/01/79/67/1191017967.db2.gz GJMQDCCQCFTADI-INIZCTEOSA-N 2 2 338.455 2.360 10 30 EEEELP C#CCN(C(=O)Cc1c[nH+]c[nH]1)C1CC[NH+](CC2CCCC2)CC1 ZINC001483987507 1191143634 /nfs/dbraw/zinc/14/36/34/1191143634.db2.gz SICRKGMFNYZNJN-UHFFFAOYSA-N 2 2 328.460 2.069 10 30 EEEELP C=CCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CCc1c[nH+]cn1C)C2 ZINC001484390406 1191324910 /nfs/dbraw/zinc/32/49/10/1191324910.db2.gz OBGFWZPAHBGILV-BJWYYQGGSA-N 2 2 330.476 2.288 10 30 EEEELP C=CCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CCc1c[nH+]cn1C)C2 ZINC001484390406 1191324912 /nfs/dbraw/zinc/32/49/12/1191324912.db2.gz OBGFWZPAHBGILV-BJWYYQGGSA-N 2 2 330.476 2.288 10 30 EEEELP C[C@H]([NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)c1cccc(C#N)c1O ZINC000866264864 1201479793 /nfs/dbraw/zinc/47/97/93/1201479793.db2.gz FPYCJTYOTPJJHU-HOCLYGCPSA-N 2 2 328.460 2.083 10 30 EEEELP C=CCOCC[N@H+]1CC[C@@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C[C@H]1C ZINC001274634803 1205108165 /nfs/dbraw/zinc/10/81/65/1205108165.db2.gz RAJMTTINTISBIY-IAGOWNOFSA-N 2 2 348.491 2.098 10 30 EEEELP C=CCOCC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)C[C@H]1C ZINC001274634803 1205108167 /nfs/dbraw/zinc/10/81/67/1205108167.db2.gz RAJMTTINTISBIY-IAGOWNOFSA-N 2 2 348.491 2.098 10 30 EEEELP C[C@@H](NC(=O)Cc1[nH]cc[nH+]1)[C@@H](C)[NH2+]CC#Cc1cccc(Cl)c1 ZINC001275530903 1205397676 /nfs/dbraw/zinc/39/76/76/1205397676.db2.gz ZEJLDDWCJOPWKS-ZIAGYGMSSA-N 2 2 344.846 2.140 10 30 EEEELP C#CC[NH+]1CCC(C(=O)NC[C@H](C)[N@H+](C)CC=C(Cl)Cl)CC1 ZINC001276010545 1205635013 /nfs/dbraw/zinc/63/50/13/1205635013.db2.gz HEKNTEPHEODATD-ZDUSSCGKSA-N 2 2 346.302 2.087 10 30 EEEELP C#CC[NH+]1CCC(C(=O)NC[C@H](C)[N@@H+](C)CC=C(Cl)Cl)CC1 ZINC001276010545 1205635014 /nfs/dbraw/zinc/63/50/14/1205635014.db2.gz HEKNTEPHEODATD-ZDUSSCGKSA-N 2 2 346.302 2.087 10 30 EEEELP C=CCC[NH2+][C@@H](CCN(C)C(=O)[C@H]1CCn2cc[nH+]c2C1)C(C)C ZINC001276128302 1205789628 /nfs/dbraw/zinc/78/96/28/1205789628.db2.gz CMVDLEQSSRAQNC-IRXDYDNUSA-N 2 2 332.492 2.484 10 30 EEEELP C#CC[NH+]1CCC(NC(=O)c2c[nH+]ccc2Nc2ccccc2)CC1 ZINC000928648080 1206406898 /nfs/dbraw/zinc/40/68/98/1206406898.db2.gz FOSRPCHNWNDKEM-UHFFFAOYSA-N 2 2 334.423 2.075 10 30 EEEELP C=C(CC[NH+](C)C)C(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000900336734 1234232633 /nfs/dbraw/zinc/23/26/33/1234232633.db2.gz WTVNITWCULAIPE-UHFFFAOYSA-N 2 2 328.416 2.409 10 30 EEEELP C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H](C(C)C)[NH+]1CCCCC1)CO2 ZINC001273729081 1284273904 /nfs/dbraw/zinc/27/39/04/1284273904.db2.gz HNJNRAMMUSGKQF-QZTJIDSGSA-N 2 2 349.519 2.033 10 30 EEEELP C#CCC[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)Cc1c[nH+]ccc1OC ZINC001490296696 1291132741 /nfs/dbraw/zinc/13/27/41/1291132741.db2.gz YVQZZBLRLPDNTP-DOTOQJQBSA-N 2 2 329.444 2.015 10 30 EEEELP CC[C@@H](C(=O)N[C@@H]1CC[N@H+](CC#Cc2ccc(Cl)cc2)C1)[NH+](C)C ZINC001265303804 1323054094 /nfs/dbraw/zinc/05/40/94/1323054094.db2.gz PHTFEAFUKXMOMB-MSOLQXFVSA-N 2 2 347.890 2.222 10 30 EEEELP CC[C@@H](C(=O)N[C@@H]1CC[N@@H+](CC#Cc2ccc(Cl)cc2)C1)[NH+](C)C ZINC001265303804 1323054099 /nfs/dbraw/zinc/05/40/99/1323054099.db2.gz PHTFEAFUKXMOMB-MSOLQXFVSA-N 2 2 347.890 2.222 10 30 EEEELP C=CCCC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001265332410 1323081308 /nfs/dbraw/zinc/08/13/08/1323081308.db2.gz TYRRAGPNYDKTGX-NUJGCVRESA-N 2 2 342.487 2.461 10 30 EEEELP C=C(C)CC[N@H+](CCCNC(=O)[C@H]1CCn2c[nH+]cc2C1)C1CC1 ZINC001316918123 1331984739 /nfs/dbraw/zinc/98/47/39/1331984739.db2.gz PAOPDLZSOPNVNI-INIZCTEOSA-N 2 2 330.476 2.382 10 30 EEEELP C=C(C)CC[N@@H+](CCCNC(=O)[C@H]1CCn2c[nH+]cc2C1)C1CC1 ZINC001316918123 1331984743 /nfs/dbraw/zinc/98/47/43/1331984743.db2.gz PAOPDLZSOPNVNI-INIZCTEOSA-N 2 2 330.476 2.382 10 30 EEEELP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)CC[NH+](C)CC#Cc1ccccc1 ZINC001320090782 1332821489 /nfs/dbraw/zinc/82/14/89/1332821489.db2.gz PRLNUMUHHZKIQX-FQEVSTJZSA-N 2 2 341.499 2.303 10 30 EEEELP CC[N@H+]1CCCC[C@H]1C(=O)N(C)CC[NH+](C)CC#Cc1ccccc1 ZINC001320090782 1332821491 /nfs/dbraw/zinc/82/14/91/1332821491.db2.gz PRLNUMUHHZKIQX-FQEVSTJZSA-N 2 2 341.499 2.303 10 30 EEEELP CC[NH+]1CCCC[C@H]1C(=O)N(C)CC[N@H+](C)CC#Cc1ccccc1 ZINC001320090782 1332821495 /nfs/dbraw/zinc/82/14/95/1332821495.db2.gz PRLNUMUHHZKIQX-FQEVSTJZSA-N 2 2 341.499 2.303 10 30 EEEELP CC[NH+]1CCCC[C@H]1C(=O)N(C)CC[N@@H+](C)CC#Cc1ccccc1 ZINC001320090782 1332821498 /nfs/dbraw/zinc/82/14/98/1332821498.db2.gz PRLNUMUHHZKIQX-FQEVSTJZSA-N 2 2 341.499 2.303 10 30 EEEELP C=CCC[C@@H](C)[N@@H+]1CC[C@@H]1CNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001323244199 1333420683 /nfs/dbraw/zinc/42/06/83/1333420683.db2.gz UZZNDSWUGRIEEB-NVXWUHKLSA-N 2 2 330.476 2.307 10 30 EEEELP C=CCC[C@@H](C)[N@H+]1CC[C@@H]1CNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001323244199 1333420684 /nfs/dbraw/zinc/42/06/84/1333420684.db2.gz UZZNDSWUGRIEEB-NVXWUHKLSA-N 2 2 330.476 2.307 10 30 EEEELP C#CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H](CC(C)C)n3cc[nH+]c3)C2)C1 ZINC001323856905 1333558197 /nfs/dbraw/zinc/55/81/97/1333558197.db2.gz DRUYIPNTKUYMQI-IEBWSBKVSA-N 2 2 328.460 2.028 10 30 EEEELP C#CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H](CC(C)C)n3cc[nH+]c3)C2)C1 ZINC001323856905 1333558201 /nfs/dbraw/zinc/55/82/01/1333558201.db2.gz DRUYIPNTKUYMQI-IEBWSBKVSA-N 2 2 328.460 2.028 10 30 EEEELP C=CCC[NH2+]C1(CC)CCN(C(=O)C(C)(C)[NH+]2CCOCC2)CC1 ZINC001327478138 1334299208 /nfs/dbraw/zinc/29/92/08/1334299208.db2.gz FDJRYCHDNILEKY-UHFFFAOYSA-N 2 2 337.508 2.034 10 30 EEEELP C=CCCC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001331293174 1334992273 /nfs/dbraw/zinc/99/22/73/1334992273.db2.gz ARAJDVVPVWSFME-SJLPKXTDSA-N 2 2 330.476 2.238 10 30 EEEELP C=CCCC[NH2+][C@@H](C)CN(C)C(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC001331530864 1335032409 /nfs/dbraw/zinc/03/24/09/1335032409.db2.gz PEQGVRBPBBRRJI-FUHWJXTLSA-N 2 2 337.508 2.033 10 30 EEEELP C=CCCC[NH2+][C@@H](C)CN(C)C(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC001331530864 1335032411 /nfs/dbraw/zinc/03/24/11/1335032411.db2.gz PEQGVRBPBBRRJI-FUHWJXTLSA-N 2 2 337.508 2.033 10 30 EEEELP C=CCOCC[NH2+][C@H]1CN(C(=O)c2c(C)cc(C)[nH+]c2C)C[C@H]1C ZINC001502731010 1342227343 /nfs/dbraw/zinc/22/73/43/1342227343.db2.gz HLFBSRQJDJAGTA-PBHICJAKSA-N 2 2 331.460 2.260 10 30 EEEELP C=C(C)C[NH2+]C[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CC[C@H]1C(F)(F)F ZINC001656668683 1354262403 /nfs/dbraw/zinc/26/24/03/1354262403.db2.gz GXGHDPWQGZVFGR-QWHCGFSZSA-N 2 2 344.381 2.145 10 30 EEEELP C=CCCC[NH+]1CCC[C@@H](NC(=O)c2cc([C@H]3CCC[N@H+]3C)n[nH]2)C1 ZINC001664993426 1355260491 /nfs/dbraw/zinc/26/04/91/1355260491.db2.gz GZOZPMTXYKTTEE-CRAIPNDOSA-N 2 2 345.491 2.337 10 30 EEEELP C=CCCC[NH+]1CCC[C@@H](NC(=O)c2cc([C@H]3CCC[N@@H+]3C)n[nH]2)C1 ZINC001664993426 1355260496 /nfs/dbraw/zinc/26/04/96/1355260496.db2.gz GZOZPMTXYKTTEE-CRAIPNDOSA-N 2 2 345.491 2.337 10 30 EEEELP C=CCCC[N@H+]1CCC[C@@H](NC(=O)c2cc([C@H]3CCC[NH+]3C)n[nH]2)C1 ZINC001664993426 1355260501 /nfs/dbraw/zinc/26/05/01/1355260501.db2.gz GZOZPMTXYKTTEE-CRAIPNDOSA-N 2 2 345.491 2.337 10 30 EEEELP C=CCCC[N@@H+]1CCC[C@@H](NC(=O)c2cc([C@H]3CCC[NH+]3C)n[nH]2)C1 ZINC001664993426 1355260505 /nfs/dbraw/zinc/26/05/05/1355260505.db2.gz GZOZPMTXYKTTEE-CRAIPNDOSA-N 2 2 345.491 2.337 10 30 EEEELP C=CCC[NH+]1CCC(CCNC(=O)[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC001666370228 1355519068 /nfs/dbraw/zinc/51/90/68/1355519068.db2.gz AAOPZYZBHXYWRU-KRWDZBQOSA-N 2 2 330.476 2.240 10 30 EEEELP CN(CC[N@H+](C)CC#Cc1ccc(Cl)cc1)C(=O)[C@@H]1CCC[NH+]1C ZINC001698982920 1405198569 /nfs/dbraw/zinc/19/85/69/1405198569.db2.gz ALEYYGGDRPXKOD-SFHVURJKSA-N 2 2 347.890 2.176 10 30 EEEELP CN(CC[N@@H+](C)CC#Cc1ccc(Cl)cc1)C(=O)[C@@H]1CCC[NH+]1C ZINC001698982920 1405198578 /nfs/dbraw/zinc/19/85/78/1405198578.db2.gz ALEYYGGDRPXKOD-SFHVURJKSA-N 2 2 347.890 2.176 10 30 EEEELP CN(CC[NH+](C)CC#Cc1ccc(Cl)cc1)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001698982920 1405198582 /nfs/dbraw/zinc/19/85/82/1405198582.db2.gz ALEYYGGDRPXKOD-SFHVURJKSA-N 2 2 347.890 2.176 10 30 EEEELP CN(CC[NH+](C)CC#Cc1ccc(Cl)cc1)C(=O)[C@@H]1CCC[N@H+]1C ZINC001698982920 1405198587 /nfs/dbraw/zinc/19/85/87/1405198587.db2.gz ALEYYGGDRPXKOD-SFHVURJKSA-N 2 2 347.890 2.176 10 30 EEEELP C=C(Br)C[NH2+]CC=CCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001699276663 1405309334 /nfs/dbraw/zinc/30/93/34/1405309334.db2.gz STOPHALPCMHVPF-NSCUHMNNSA-N 2 2 349.232 2.347 10 30 EEEELP CC#CC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)CCCn3cc[nH+]c3)C(C)(C)[C@@H]21 ZINC001565995046 1125491975 /nfs/dbraw/zinc/49/19/75/1125491975.db2.gz NRHTXAIANWFYCO-BHIYHBOVSA-N 2 2 342.487 2.292 10 30 EEEELP CC#CC[N@H+]1CCC[C@@H]2[C@@H](NC(=O)CCCn3cc[nH+]c3)C(C)(C)[C@@H]21 ZINC001565995046 1125491993 /nfs/dbraw/zinc/49/19/93/1125491993.db2.gz NRHTXAIANWFYCO-BHIYHBOVSA-N 2 2 342.487 2.292 10 30 EEEELP C=CCC[N@@H+](CCO)[C@H]1CCCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001566032698 1125509134 /nfs/dbraw/zinc/50/91/34/1125509134.db2.gz KFNWKQZZFODQTA-INIZCTEOSA-N 2 2 342.443 2.038 10 30 EEEELP C=CCC[N@H+](CCO)[C@H]1CCCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001566032698 1125509139 /nfs/dbraw/zinc/50/91/39/1125509139.db2.gz KFNWKQZZFODQTA-INIZCTEOSA-N 2 2 342.443 2.038 10 30 EEEELP Cc1c[nH+]c2cc(C(=O)NC[C@H](C)[NH2+]CC#Cc3ccccc3)ccn12 ZINC001480461387 1100265133 /nfs/dbraw/zinc/26/51/33/1100265133.db2.gz JHQFJXHTFPSTGM-INIZCTEOSA-N 2 2 346.434 2.402 10 30 EEEELP C[C@@H](C[NH2+]CC#Cc1cccc(Cl)c1)N(C)C(=O)Cn1cc[nH+]c1 ZINC001496241131 1100810320 /nfs/dbraw/zinc/81/03/20/1100810320.db2.gz ABIUDSMXIKVRFW-HNNXBMFYSA-N 2 2 344.846 2.025 10 30 EEEELP CC#CC[NH2+]C[C@@]1(NC(=O)CCCn2cc[nH+]c2)CCCC[C@H]1C ZINC001495331846 1101039925 /nfs/dbraw/zinc/03/99/25/1101039925.db2.gz GZDZTXGCXAPLKR-MJGOQNOKSA-N 2 2 330.476 2.341 10 30 EEEELP C=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1)O2 ZINC001502443090 1113685994 /nfs/dbraw/zinc/68/59/94/1113685994.db2.gz LDLUWEKJMCRAOT-ZWKOTPCHSA-N 2 2 349.519 2.033 10 30 EEEELP C[C@H](C[NH2+]CC#Cc1ccccc1Cl)NC(=O)CCn1cc[nH+]c1 ZINC001569010280 1125039636 /nfs/dbraw/zinc/03/96/36/1125039636.db2.gz QNAQJFJXLPMFOQ-OAHLLOKOSA-N 2 2 344.846 2.073 10 30 EEEELP N#Cc1csc(C[NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)n1 ZINC000352836695 162306213 /nfs/dbraw/zinc/30/62/13/162306213.db2.gz WPNPUVMYZDWKLR-UHFFFAOYSA-N 2 2 328.441 2.137 10 30 EEEELP C=CCN(CC=C)C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000074768107 462632836 /nfs/dbraw/zinc/63/28/36/462632836.db2.gz JBSPBEWMSQXYPV-UHFFFAOYSA-N 2 2 334.508 2.320 10 30 EEEELP N#Cc1cccc(NC(=O)C[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)c1 ZINC000195515711 464064016 /nfs/dbraw/zinc/06/40/16/464064016.db2.gz OCLWOVWHUKDSKL-INIZCTEOSA-N 2 2 335.411 2.326 10 30 EEEELP N#Cc1cccc(NC(=O)C[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)c1 ZINC000195515711 464064021 /nfs/dbraw/zinc/06/40/21/464064021.db2.gz OCLWOVWHUKDSKL-INIZCTEOSA-N 2 2 335.411 2.326 10 30 EEEELP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)N(C)C2(C#N)CCCCC2)[C@@H](C)C1 ZINC000245426526 464479143 /nfs/dbraw/zinc/47/91/43/464479143.db2.gz LJBLOHKJXMQNQA-IRXDYDNUSA-N 2 2 334.508 2.333 10 30 EEEELP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)N(C)C2(C#N)CCCCC2)[C@@H](C)C1 ZINC000245426526 464479151 /nfs/dbraw/zinc/47/91/51/464479151.db2.gz LJBLOHKJXMQNQA-IRXDYDNUSA-N 2 2 334.508 2.333 10 30 EEEELP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)N(C)C2(C#N)CCCCC2)[C@@H](C)C1 ZINC000245426526 464479154 /nfs/dbraw/zinc/47/91/54/464479154.db2.gz LJBLOHKJXMQNQA-IRXDYDNUSA-N 2 2 334.508 2.333 10 30 EEEELP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)N(C)C2(C#N)CCCCC2)[C@@H](C)C1 ZINC000245426526 464479163 /nfs/dbraw/zinc/47/91/63/464479163.db2.gz LJBLOHKJXMQNQA-IRXDYDNUSA-N 2 2 334.508 2.333 10 30 EEEELP N#CCCCC[C@H]([NH3+])C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000594436206 468585609 /nfs/dbraw/zinc/58/56/09/468585609.db2.gz BVDVVGDUXKVSCE-HNNXBMFYSA-N 2 2 329.379 2.039 10 30 EEEELP C[N@@H+]1CCN(Cc2ccccc2)[C@H](C[NH2+][C@@H]2CCC[C@H](C#N)C2)C1 ZINC000595099469 468758593 /nfs/dbraw/zinc/75/85/93/468758593.db2.gz MJKYEOQMSRJDAH-XUVXKRRUSA-N 2 2 326.488 2.475 10 30 EEEELP C[N@H+]1CCN(Cc2ccccc2)[C@H](C[NH2+][C@@H]2CCC[C@H](C#N)C2)C1 ZINC000595099469 468758597 /nfs/dbraw/zinc/75/85/97/468758597.db2.gz MJKYEOQMSRJDAH-XUVXKRRUSA-N 2 2 326.488 2.475 10 30 EEEELP C[NH+](CCC[N@@H+](C)C[C@@H](O)CC1(C#N)CCOCC1)Cc1ccco1 ZINC000599415835 469248716 /nfs/dbraw/zinc/24/87/16/469248716.db2.gz DDPMTZQGPGWEPK-KRWDZBQOSA-N 2 2 349.475 2.105 10 30 EEEELP C[NH+](CCC[N@H+](C)C[C@@H](O)CC1(C#N)CCOCC1)Cc1ccco1 ZINC000599415835 469248717 /nfs/dbraw/zinc/24/87/17/469248717.db2.gz DDPMTZQGPGWEPK-KRWDZBQOSA-N 2 2 349.475 2.105 10 30 EEEELP C[NH+](CCC[N@H+](C)Cc1ccco1)C[C@@H](O)CC1(C#N)CCOCC1 ZINC000599415835 469248719 /nfs/dbraw/zinc/24/87/19/469248719.db2.gz DDPMTZQGPGWEPK-KRWDZBQOSA-N 2 2 349.475 2.105 10 30 EEEELP C[NH+](CCC[N@@H+](C)Cc1ccco1)C[C@@H](O)CC1(C#N)CCOCC1 ZINC000599415835 469248721 /nfs/dbraw/zinc/24/87/21/469248721.db2.gz DDPMTZQGPGWEPK-KRWDZBQOSA-N 2 2 349.475 2.105 10 30 EEEELP C=CC[C@@H]1CC[N@H+](CC(=O)N2CC[NH+](Cc3cccs3)CC2)C1 ZINC000625705197 470170679 /nfs/dbraw/zinc/17/06/79/470170679.db2.gz YJUQUWLDNCNUHN-MRXNPFEDSA-N 2 2 333.501 2.290 10 30 EEEELP C=CC[C@@H]1CC[N@@H+](CC(=O)N2CC[NH+](Cc3cccs3)CC2)C1 ZINC000625705197 470170680 /nfs/dbraw/zinc/17/06/80/470170680.db2.gz YJUQUWLDNCNUHN-MRXNPFEDSA-N 2 2 333.501 2.290 10 30 EEEELP C=CC[C@]1(C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)CCC[NH2+]1 ZINC000662694745 472212112 /nfs/dbraw/zinc/21/21/12/472212112.db2.gz BYGNEZGARRRDPU-GOSISDBHSA-N 2 2 328.391 2.326 10 30 EEEELP C=CC[C@]1(C(=O)NC[C@@H](c2c(F)cccc2F)[NH+](C)C)CCC[NH2+]1 ZINC000662735886 472227344 /nfs/dbraw/zinc/22/73/44/472227344.db2.gz ZKCXOMWYCSKWNJ-MAUKXSAKSA-N 2 2 337.414 2.382 10 30 EEEELP N#CCn1c(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)nc2ccccc2c1=O ZINC000745984860 577921011 /nfs/dbraw/zinc/92/10/11/577921011.db2.gz UXRPEPSMKXTHIM-UHFFFAOYSA-N 2 2 348.410 2.023 10 30 EEEELP C[NH+]1CCC(C/N=C/c2cccc(O)c2O)([NH+]2CCCCC2)CC1 ZINC000741843178 578125139 /nfs/dbraw/zinc/12/51/39/578125139.db2.gz JSUKAZIPPPSEGW-XSFVSMFZSA-N 2 2 331.460 2.467 10 30 EEEELP CCC[N@H+](C)CC(=O)N[C@@H]1CC[NH+](CC#Cc2ccc(Cl)cc2)C1 ZINC001266352574 1176377790 /nfs/dbraw/zinc/37/77/90/1176377790.db2.gz DJXXDTAEYIURNT-GOSISDBHSA-N 2 2 347.890 2.224 10 30 EEEELP CCC[N@@H+](C)CC(=O)N[C@@H]1CC[NH+](CC#Cc2ccc(Cl)cc2)C1 ZINC001266352574 1176377796 /nfs/dbraw/zinc/37/77/96/1176377796.db2.gz DJXXDTAEYIURNT-GOSISDBHSA-N 2 2 347.890 2.224 10 30 EEEELP CCC[NH+](C)CC(=O)N[C@@H]1CC[N@@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC001266352574 1176377817 /nfs/dbraw/zinc/37/78/17/1176377817.db2.gz DJXXDTAEYIURNT-GOSISDBHSA-N 2 2 347.890 2.224 10 30 EEEELP C#CCC[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001772513764 1176481928 /nfs/dbraw/zinc/48/19/28/1176481928.db2.gz SPENAMLWSPXLHH-FUHWJXTLSA-N 2 2 338.455 2.496 10 30 EEEELP C=C(C)C[NH2+]C[C@H]1CN(C(=O)Cn2cc[nH+]c2)CC[C@@H]1C(F)(F)F ZINC001691445872 1178830769 /nfs/dbraw/zinc/83/07/69/1178830769.db2.gz MRIDMVWNSUCFRD-KBPBESRZSA-N 2 2 344.381 2.076 10 30 EEEELP C=CCC[NH2+][C@H](CNC(=O)[C@@H]1CCn2cc[nH+]c2C1)c1ccccc1 ZINC001267520082 1179247447 /nfs/dbraw/zinc/24/74/47/1179247447.db2.gz IXYXXEUQWWFHLX-QZTJIDSGSA-N 2 2 338.455 2.469 10 30 EEEELP C#CC[N@H+]1CC[C@@H](N(CCC)C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001267543311 1179320727 /nfs/dbraw/zinc/32/07/27/1179320727.db2.gz FFRQJSXWVVALAL-QZTJIDSGSA-N 2 2 330.476 2.416 10 30 EEEELP C#CC[N@@H+]1CC[C@@H](N(CCC)C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001267543311 1179320734 /nfs/dbraw/zinc/32/07/34/1179320734.db2.gz FFRQJSXWVVALAL-QZTJIDSGSA-N 2 2 330.476 2.416 10 30 EEEELP C=C(C)CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001267586486 1179553987 /nfs/dbraw/zinc/55/39/87/1179553987.db2.gz SNKADDLQTJCXKX-SJORKVTESA-N 2 2 330.476 2.192 10 30 EEEELP C=C(C)CC[N@H+](C)C[C@H]1CCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001267586486 1179553991 /nfs/dbraw/zinc/55/39/91/1179553991.db2.gz SNKADDLQTJCXKX-SJORKVTESA-N 2 2 330.476 2.192 10 30 EEEELP C=C(C)C[NH2+][C@@H](CNC(=O)[C@H]1CCc2[nH+]ccn2C1)c1ccccc1 ZINC001481364773 1181130764 /nfs/dbraw/zinc/13/07/64/1181130764.db2.gz FYNKJCJSNCJSNB-ROUUACIJSA-N 2 2 338.455 2.469 10 30 EEEELP C#CC[NH2+]CC[C@H]1CCCCN1C(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC001268168800 1181924169 /nfs/dbraw/zinc/92/41/69/1181924169.db2.gz YFFPQXSELJDQRA-GOSISDBHSA-N 2 2 338.455 2.179 10 30 EEEELP C#CCC[NH2+][C@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C[C@H]1C ZINC001271416536 1186203028 /nfs/dbraw/zinc/20/30/28/1186203028.db2.gz LVPDDHWMPXBXAF-APWZRJJASA-N 2 2 336.439 2.336 10 30 EEEELP C#CC[NH2+]CC[C@@H]1CCCCN1C(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001271543340 1186302582 /nfs/dbraw/zinc/30/25/82/1186302582.db2.gz HCAIZWKLGIQDRO-ZWKOTPCHSA-N 2 2 330.476 2.464 10 30 EEEELP C#CC[NH+]1CCC[C@H]1C(=O)N(C)CC[N@H+](C)Cc1cc(C)ccc1F ZINC001482603698 1187350173 /nfs/dbraw/zinc/35/01/73/1187350173.db2.gz OMCLYTRBSGOPSI-IBGZPJMESA-N 2 2 345.462 2.122 10 30 EEEELP C#CC[NH+]1CCC[C@H]1C(=O)N(C)CC[N@@H+](C)Cc1cc(C)ccc1F ZINC001482603698 1187350176 /nfs/dbraw/zinc/35/01/76/1187350176.db2.gz OMCLYTRBSGOPSI-IBGZPJMESA-N 2 2 345.462 2.122 10 30 EEEELP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH+](C)Cc1cc(C)ccc1F ZINC001482603698 1187350179 /nfs/dbraw/zinc/35/01/79/1187350179.db2.gz OMCLYTRBSGOPSI-IBGZPJMESA-N 2 2 345.462 2.122 10 30 EEEELP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH+](C)Cc1cc(C)ccc1F ZINC001482603698 1187350182 /nfs/dbraw/zinc/35/01/82/1187350182.db2.gz OMCLYTRBSGOPSI-IBGZPJMESA-N 2 2 345.462 2.122 10 30 EEEELP C=CCC[NH2+]C[C@H](NC(=O)[C@H]1CCn2c[nH+]cc2C1)C1CCCC1 ZINC001484001552 1191151290 /nfs/dbraw/zinc/15/12/90/1191151290.db2.gz AZZKRVVNAYQQII-WMZOPIPTSA-N 2 2 330.476 2.286 10 30 EEEELP C=CCC[C@@H](C)[NH2+]CC1(NC(=O)[C@H]2C[N@H+](C)CCO2)CCCCC1 ZINC001485447600 1191793594 /nfs/dbraw/zinc/79/35/94/1191793594.db2.gz BCTOERCLTYNGFU-IAGOWNOFSA-N 2 2 337.508 2.080 10 30 EEEELP C=CCC[C@@H](C)[NH2+]CC1(NC(=O)[C@H]2C[N@@H+](C)CCO2)CCCCC1 ZINC001485447600 1191793596 /nfs/dbraw/zinc/79/35/96/1191793596.db2.gz BCTOERCLTYNGFU-IAGOWNOFSA-N 2 2 337.508 2.080 10 30 EEEELP C#CCC[NH2+][C@H](C)C1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)CC1 ZINC001691663012 1194273661 /nfs/dbraw/zinc/27/36/61/1194273661.db2.gz MCGRLUUXYPTKSZ-MRXNPFEDSA-N 2 2 338.455 2.496 10 30 EEEELP CC(C)N(CC[N@H+](C)Cc1ccc(C#N)cc1)C(=O)Cn1cc[nH+]c1 ZINC001411201616 1198903029 /nfs/dbraw/zinc/90/30/29/1198903029.db2.gz MDJNRQXHBKSMKV-UHFFFAOYSA-N 2 2 339.443 2.124 10 30 EEEELP CC(C)N(CC[N@@H+](C)Cc1ccc(C#N)cc1)C(=O)Cn1cc[nH+]c1 ZINC001411201616 1198903032 /nfs/dbraw/zinc/90/30/32/1198903032.db2.gz MDJNRQXHBKSMKV-UHFFFAOYSA-N 2 2 339.443 2.124 10 30 EEEELP C[C@@H]([NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1)c1cccc(C#N)c1O ZINC000866269317 1201480849 /nfs/dbraw/zinc/48/08/49/1201480849.db2.gz HUMSBCMKKKQEIX-HUUCEWRRSA-N 2 2 329.444 2.415 10 30 EEEELP C[C@H]([NH2+][C@@H]1C[NH2+]CC2(CCOCC2)C1)c1ccc(OCC#N)cc1 ZINC000925799327 1206155059 /nfs/dbraw/zinc/15/50/59/1206155059.db2.gz TYDNFMVUZPPQAG-RDJZCZTQSA-N 2 2 329.444 2.398 10 30 EEEELP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)c1cc(C#N)ccn1 ZINC000902880269 1238829432 /nfs/dbraw/zinc/82/94/32/1238829432.db2.gz HGQWILSNKHRYPV-GDIGMMSISA-N 2 2 328.460 2.372 10 30 EEEELP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)c1cc(C#N)ccn1 ZINC000902880272 1238835768 /nfs/dbraw/zinc/83/57/68/1238835768.db2.gz HGQWILSNKHRYPV-ZOCIIQOWSA-N 2 2 328.460 2.372 10 30 EEEELP C=C(C)C[NH2+]CC[C@H]1CCCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001267889111 1276765774 /nfs/dbraw/zinc/76/57/74/1276765774.db2.gz ZSVCPMVZYLZZPK-SJORKVTESA-N 2 2 330.476 2.240 10 30 EEEELP C=C(C)Cn1c([C@H]2CCCC[N@H+]2C)nnc1N1CC[NH+](C2CC2)CC1 ZINC001263341439 1322466118 /nfs/dbraw/zinc/46/61/18/1322466118.db2.gz NUQFMQZXOMCYIK-QGZVFWFLSA-N 2 2 344.507 2.295 10 30 EEEELP C=C(C)Cn1c([C@H]2CCCC[N@@H+]2C)nnc1N1CC[NH+](C2CC2)CC1 ZINC001263341439 1322466120 /nfs/dbraw/zinc/46/61/20/1322466120.db2.gz NUQFMQZXOMCYIK-QGZVFWFLSA-N 2 2 344.507 2.295 10 30 EEEELP CC#CC[N@H+]1CC[C@H](NC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)[C@H]1CC ZINC001264611614 1322750013 /nfs/dbraw/zinc/75/00/13/1322750013.db2.gz OIPTYYPFXXQPSY-RCCFBDPRSA-N 2 2 330.476 2.463 10 30 EEEELP CC#CC[N@@H+]1CC[C@H](NC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)[C@H]1CC ZINC001264611614 1322750017 /nfs/dbraw/zinc/75/00/17/1322750017.db2.gz OIPTYYPFXXQPSY-RCCFBDPRSA-N 2 2 330.476 2.463 10 30 EEEELP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](CCCCCC=C)C1 ZINC001266221806 1323792565 /nfs/dbraw/zinc/79/25/65/1323792565.db2.gz IZHXYQFOFSRPCG-OALUTQOASA-N 2 2 331.504 2.411 10 30 EEEELP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCC[N@H+](CCCCCC=C)C1 ZINC001266221806 1323792570 /nfs/dbraw/zinc/79/25/70/1323792570.db2.gz IZHXYQFOFSRPCG-OALUTQOASA-N 2 2 331.504 2.411 10 30 EEEELP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCC[NH+](CCCCCC=C)C1 ZINC001266221806 1323792575 /nfs/dbraw/zinc/79/25/75/1323792575.db2.gz IZHXYQFOFSRPCG-OALUTQOASA-N 2 2 331.504 2.411 10 30 EEEELP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCC[NH+](CCCCCC=C)C1 ZINC001266221806 1323792581 /nfs/dbraw/zinc/79/25/81/1323792581.db2.gz IZHXYQFOFSRPCG-OALUTQOASA-N 2 2 331.504 2.411 10 30 EEEELP C=C(C)C[N@@H+]1CCC[C@H]1CCCNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001266222369 1323793745 /nfs/dbraw/zinc/79/37/45/1323793745.db2.gz BARCCLBDOYDCRQ-DLBZAZTESA-N 2 2 330.476 2.382 10 30 EEEELP C=C(C)C[N@H+]1CCC[C@H]1CCCNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001266222369 1323793750 /nfs/dbraw/zinc/79/37/50/1323793750.db2.gz BARCCLBDOYDCRQ-DLBZAZTESA-N 2 2 330.476 2.382 10 30 EEEELP C=CCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)C(C)(C)C1 ZINC001276593078 1324683716 /nfs/dbraw/zinc/68/37/16/1324683716.db2.gz FVWNPJHHFVMXHJ-NVXWUHKLSA-N 2 2 330.476 2.238 10 30 EEEELP C=CCCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)C(C)(C)C1 ZINC001276593078 1324683724 /nfs/dbraw/zinc/68/37/24/1324683724.db2.gz FVWNPJHHFVMXHJ-NVXWUHKLSA-N 2 2 330.476 2.238 10 30 EEEELP C=CCC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)CCc3[nH+]ccn3C)C[C@H]2C1 ZINC001282945915 1325846616 /nfs/dbraw/zinc/84/66/16/1325846616.db2.gz FONJJBSHUASAPF-YESZJQIVSA-N 2 2 330.476 2.146 10 30 EEEELP C=CCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)CCc3[nH+]ccn3C)C[C@H]2C1 ZINC001282945915 1325846619 /nfs/dbraw/zinc/84/66/19/1325846619.db2.gz FONJJBSHUASAPF-YESZJQIVSA-N 2 2 330.476 2.146 10 30 EEEELP C#CC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2Cc2ccccc2)C1 ZINC001303559219 1331359276 /nfs/dbraw/zinc/35/92/76/1331359276.db2.gz WZKPVPNNUMGGPP-UXHICEINSA-N 2 2 339.483 2.255 10 30 EEEELP C#CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2Cc2ccccc2)C1 ZINC001303559219 1331359277 /nfs/dbraw/zinc/35/92/77/1331359277.db2.gz WZKPVPNNUMGGPP-UXHICEINSA-N 2 2 339.483 2.255 10 30 EEEELP C#CC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccccc2)C1 ZINC001303559219 1331359280 /nfs/dbraw/zinc/35/92/80/1331359280.db2.gz WZKPVPNNUMGGPP-UXHICEINSA-N 2 2 339.483 2.255 10 30 EEEELP C#CC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2Cc2ccccc2)C1 ZINC001303559219 1331359282 /nfs/dbraw/zinc/35/92/82/1331359282.db2.gz WZKPVPNNUMGGPP-UXHICEINSA-N 2 2 339.483 2.255 10 30 EEEELP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1CCC([NH+](CC#N)CC2CC2)CC1 ZINC001323733828 1333527246 /nfs/dbraw/zinc/52/72/46/1333527246.db2.gz OJQWFBDWWSUJNV-LJQANCHMSA-N 2 2 346.519 2.333 10 30 EEEELP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N1CCC([NH+](CC#N)CC2CC2)CC1 ZINC001323733828 1333527250 /nfs/dbraw/zinc/52/72/50/1333527250.db2.gz OJQWFBDWWSUJNV-LJQANCHMSA-N 2 2 346.519 2.333 10 30 EEEELP CC(C)C[NH+]1CCC[C@@H]1C(=O)N1CCC([N@H+](CC#N)CC2CC2)CC1 ZINC001323733828 1333527254 /nfs/dbraw/zinc/52/72/54/1333527254.db2.gz OJQWFBDWWSUJNV-LJQANCHMSA-N 2 2 346.519 2.333 10 30 EEEELP CC(C)C[NH+]1CCC[C@@H]1C(=O)N1CCC([N@@H+](CC#N)CC2CC2)CC1 ZINC001323733828 1333527257 /nfs/dbraw/zinc/52/72/57/1333527257.db2.gz OJQWFBDWWSUJNV-LJQANCHMSA-N 2 2 346.519 2.333 10 30 EEEELP C=CCOCC[NH2+][C@H]1CCN(C(=O)c2cccc3[nH+]ccn32)[C@@H](C)C1 ZINC001324070823 1333601592 /nfs/dbraw/zinc/60/15/92/1333601592.db2.gz BVSSTKXFPOAXDA-HOTGVXAUSA-N 2 2 342.443 2.120 10 30 EEEELP C=CCC[NH2+]C[C@@]1(C)CCN(C(=O)[C@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC001324774927 1333757311 /nfs/dbraw/zinc/75/73/11/1333757311.db2.gz FERDEJDZEPCVBV-UYAOXDASSA-N 2 2 349.519 2.034 10 30 EEEELP C=CCC[NH2+]C[C@@]1(C)CCN(C(=O)[C@H]2COCC[N@H+]2C2CCCC2)C1 ZINC001324774927 1333757314 /nfs/dbraw/zinc/75/73/14/1333757314.db2.gz FERDEJDZEPCVBV-UYAOXDASSA-N 2 2 349.519 2.034 10 30 EEEELP C[C@@H](CCC[NH2+]Cc1ccc(C#N)c(F)c1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001330926410 1334928247 /nfs/dbraw/zinc/92/82/47/1334928247.db2.gz KZAWWYIPXIYDOB-ZDUSSCGKSA-N 2 2 343.406 2.038 10 30 EEEELP C=CCCC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001331293173 1334992211 /nfs/dbraw/zinc/99/22/11/1334992211.db2.gz ARAJDVVPVWSFME-FUHWJXTLSA-N 2 2 330.476 2.238 10 30 EEEELP C=C(C)Cn1c(C[NH+]2CCCC2)nnc1N1C[C@H](C)[N@H+](CC)C[C@@H]1C ZINC001355966773 1338775745 /nfs/dbraw/zinc/77/57/45/1338775745.db2.gz BLKAJZCQTCISDH-IRXDYDNUSA-N 2 2 346.523 2.369 10 30 EEEELP C=C(C)Cn1c(C[NH+]2CCCC2)nnc1N1C[C@H](C)[N@@H+](CC)C[C@@H]1C ZINC001355966773 1338775747 /nfs/dbraw/zinc/77/57/47/1338775747.db2.gz BLKAJZCQTCISDH-IRXDYDNUSA-N 2 2 346.523 2.369 10 30 EEEELP C=C(C)CC[NH2+]C[C@H]1CCCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001566896638 1342647943 /nfs/dbraw/zinc/64/79/43/1342647943.db2.gz HVOGSAHZZCJIIF-IAGOWNOFSA-N 2 2 330.476 2.240 10 30 EEEELP C#CCC[N@H+]1CC[C@@H](NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC(C)(C)C1 ZINC001657105762 1354327762 /nfs/dbraw/zinc/32/77/62/1354327762.db2.gz CAVXRMIWSRONOD-JKSUJKDBSA-N 2 2 330.476 2.218 10 30 EEEELP C#CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC(C)(C)C1 ZINC001657105762 1354327767 /nfs/dbraw/zinc/32/77/67/1354327767.db2.gz CAVXRMIWSRONOD-JKSUJKDBSA-N 2 2 330.476 2.218 10 30 EEEELP C#CCC[N@H+]1CC[C@@H](NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC(C)(C)C1 ZINC001657105762 1354327771 /nfs/dbraw/zinc/32/77/71/1354327771.db2.gz CAVXRMIWSRONOD-JKSUJKDBSA-N 2 2 330.476 2.218 10 30 EEEELP C#CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC(C)(C)C1 ZINC001657105762 1354327775 /nfs/dbraw/zinc/32/77/75/1354327775.db2.gz CAVXRMIWSRONOD-JKSUJKDBSA-N 2 2 330.476 2.218 10 30 EEEELP CC#CC[NH2+][C@@H]1CCC[C@H](NC(=O)Cc2cn3cccc(C)c3[nH+]2)C1 ZINC001662784915 1354846193 /nfs/dbraw/zinc/84/61/93/1354846193.db2.gz KRTCSULCRUSVDC-SJORKVTESA-N 2 2 338.455 2.226 10 30 EEEELP C=CCCC[NH2+]C1(CNC(=O)[C@H]2CCc3c[nH+]cn3C2)CCCC1 ZINC001666771992 1355588075 /nfs/dbraw/zinc/58/80/75/1355588075.db2.gz JNXBHXKVSLVDSW-INIZCTEOSA-N 2 2 330.476 2.430 10 30 EEEELP CC#CC[NH2+][C@@H](C)[C@H]1CCCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001667325317 1355709473 /nfs/dbraw/zinc/70/94/73/1355709473.db2.gz BNIPXWOZOIRMGM-WMZOPIPTSA-N 2 2 338.455 2.496 10 30 EEEELP C[C@H](NC(=O)Cc1[nH]cc[nH+]1)[C@H](C)[NH2+]CC#Cc1ccc(Cl)cc1 ZINC001674747719 1356888465 /nfs/dbraw/zinc/88/84/65/1356888465.db2.gz KOKMUZZPCLKYNZ-KBPBESRZSA-N 2 2 344.846 2.140 10 30 EEEELP CC#CC[NH2+][C@@H](C)[C@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001699943578 1405592683 /nfs/dbraw/zinc/59/26/83/1405592683.db2.gz JKIDJSIXEBGTPT-WMZOPIPTSA-N 2 2 336.439 2.336 10 30 EEEELP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)[C@]1(C#N)CC2CCC1CC2 ZINC000906677409 784073308 /nfs/dbraw/zinc/07/33/08/784073308.db2.gz LBCZZCHPAKKEPU-UHYCVJNDSA-N 2 2 346.519 2.191 10 30 EEEELP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)[C@]1(C#N)CC2CCC1CC2 ZINC000906677409 784073313 /nfs/dbraw/zinc/07/33/13/784073313.db2.gz LBCZZCHPAKKEPU-UHYCVJNDSA-N 2 2 346.519 2.191 10 30 EEEELP CC[C@H](C(=O)N[C@@]1(C)CC[N@H+](Cc2ccc(C#N)c(F)c2)C1)[NH+](C)C ZINC001439861229 1092891737 /nfs/dbraw/zinc/89/17/37/1092891737.db2.gz SDMCWCYBGKYWPM-MJGOQNOKSA-N 2 2 346.450 2.118 10 30 EEEELP CC[C@H](C(=O)N[C@@]1(C)CC[N@@H+](Cc2ccc(C#N)c(F)c2)C1)[NH+](C)C ZINC001439861229 1092891741 /nfs/dbraw/zinc/89/17/41/1092891741.db2.gz SDMCWCYBGKYWPM-MJGOQNOKSA-N 2 2 346.450 2.118 10 30 EEEELP C[C@H](CN(C)C(=O)C[C@H](C)n1cc[nH+]c1)[NH2+]Cc1ccc(C#N)s1 ZINC001448728393 1093798690 /nfs/dbraw/zinc/79/86/90/1093798690.db2.gz HORGYSVRPLGBJA-KGLIPLIRSA-N 2 2 345.472 2.404 10 30 EEEELP C=CC[N@H+](C)CCC1CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC001496505086 1101101883 /nfs/dbraw/zinc/10/18/83/1101101883.db2.gz RYRWVNAKXNSQGI-QGZVFWFLSA-N 2 2 330.476 2.192 10 30 EEEELP C=CC[N@@H+](C)CCC1CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC001496505086 1101101887 /nfs/dbraw/zinc/10/18/87/1101101887.db2.gz RYRWVNAKXNSQGI-QGZVFWFLSA-N 2 2 330.476 2.192 10 30 EEEELP C[C@@H](C[NH2+]CC#Cc1ccc(F)cc1)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001498127815 1106958939 /nfs/dbraw/zinc/95/89/39/1106958939.db2.gz OOGSKEXLQOPURY-HOTGVXAUSA-N 2 2 342.418 2.119 10 30 EEEELP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](Cc1ccccc1F)C1CC1 ZINC001493376754 1108022118 /nfs/dbraw/zinc/02/21/18/1108022118.db2.gz HTVUJGXNDWPABC-IBGZPJMESA-N 2 2 343.446 2.004 10 30 EEEELP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@H+](Cc1ccccc1F)C1CC1 ZINC001493376754 1108022133 /nfs/dbraw/zinc/02/21/33/1108022133.db2.gz HTVUJGXNDWPABC-IBGZPJMESA-N 2 2 343.446 2.004 10 30 EEEELP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH+](Cc1ccccc1F)C1CC1 ZINC001493376754 1108022148 /nfs/dbraw/zinc/02/21/48/1108022148.db2.gz HTVUJGXNDWPABC-IBGZPJMESA-N 2 2 343.446 2.004 10 30 EEEELP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](Cc1ccccc1F)C1CC1 ZINC001493376754 1108022162 /nfs/dbraw/zinc/02/21/62/1108022162.db2.gz HTVUJGXNDWPABC-IBGZPJMESA-N 2 2 343.446 2.004 10 30 EEEELP C=C(C)C[NH2+][C@@H](C)C1CCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC001493831563 1108714230 /nfs/dbraw/zinc/71/42/30/1108714230.db2.gz OEGRQCVKWGDRLV-RDJZCZTQSA-N 2 2 330.476 2.238 10 30 EEEELP C[C@@H](C(=O)Nc1cccc(C#N)c1)[NH+]1CCC(c2c[nH+]cn2C)CC1 ZINC001473893960 1110584506 /nfs/dbraw/zinc/58/45/06/1110584506.db2.gz CUWOGROVEYKFPO-AWEZNQCLSA-N 2 2 337.427 2.498 10 30 EEEELP N#CC[NH+](CC1CC1)C1CCN(C(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)CC1 ZINC001499527219 1112342660 /nfs/dbraw/zinc/34/26/60/1112342660.db2.gz GTBXLWROPVPPSA-RBUKOAKNSA-N 2 2 344.503 2.230 10 30 EEEELP N#CC[NH+](CC1CC1)C1CCN(C(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)CC1 ZINC001499527219 1112342666 /nfs/dbraw/zinc/34/26/66/1112342666.db2.gz GTBXLWROPVPPSA-RBUKOAKNSA-N 2 2 344.503 2.230 10 30 EEEELP N#CC[N@H+](CC1CC1)C1CCN(C(=O)[C@H]2CC[C@@H]3CCCC[NH+]23)CC1 ZINC001499527219 1112342670 /nfs/dbraw/zinc/34/26/70/1112342670.db2.gz GTBXLWROPVPPSA-RBUKOAKNSA-N 2 2 344.503 2.230 10 30 EEEELP N#CC[N@@H+](CC1CC1)C1CCN(C(=O)[C@H]2CC[C@@H]3CCCC[NH+]23)CC1 ZINC001499527219 1112342676 /nfs/dbraw/zinc/34/26/76/1112342676.db2.gz GTBXLWROPVPPSA-RBUKOAKNSA-N 2 2 344.503 2.230 10 30 EEEELP C=CCOCC[N@H+]1CC[C@@H](NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C(C)(C)C1 ZINC001502833891 1113826211 /nfs/dbraw/zinc/82/62/11/1113826211.db2.gz BFQZFOJWDFWFTR-DOTOQJQBSA-N 2 2 348.491 2.008 10 30 EEEELP C=CCOCC[N@@H+]1CC[C@@H](NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C(C)(C)C1 ZINC001502833891 1113826216 /nfs/dbraw/zinc/82/62/16/1113826216.db2.gz BFQZFOJWDFWFTR-DOTOQJQBSA-N 2 2 348.491 2.008 10 30 EEEELP C=CCOCC[N@H+]1CC[C@@H](NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C(C)(C)C1 ZINC001502833891 1113826220 /nfs/dbraw/zinc/82/62/20/1113826220.db2.gz BFQZFOJWDFWFTR-DOTOQJQBSA-N 2 2 348.491 2.008 10 30 EEEELP C=CCOCC[N@@H+]1CC[C@@H](NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C(C)(C)C1 ZINC001502833891 1113826222 /nfs/dbraw/zinc/82/62/22/1113826222.db2.gz BFQZFOJWDFWFTR-DOTOQJQBSA-N 2 2 348.491 2.008 10 30 EEEELP C=CCCC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CCn3cc[nH+]c3)C[C@H]21 ZINC001507364362 1115224916 /nfs/dbraw/zinc/22/49/16/1115224916.db2.gz XUMGMDUOGJUBCH-RCCFBDPRSA-N 2 2 330.476 2.456 10 30 EEEELP C=C(C)C[NH2+]C1(CNC(=O)c2cc([C@H]3CCC[N@H+]3C)n[nH]2)CCCC1 ZINC001568235907 1124378206 /nfs/dbraw/zinc/37/82/06/1124378206.db2.gz WSVFQMYAOLQNQJ-QGZVFWFLSA-N 2 2 345.491 2.385 10 30 EEEELP C=C(C)C[NH2+]C1(CNC(=O)c2cc([C@H]3CCC[N@@H+]3C)n[nH]2)CCCC1 ZINC001568235907 1124378210 /nfs/dbraw/zinc/37/82/10/1124378210.db2.gz WSVFQMYAOLQNQJ-QGZVFWFLSA-N 2 2 345.491 2.385 10 30 EEEELP C[N@H+](Cc1ccc(C#N)o1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000190315119 160158092 /nfs/dbraw/zinc/15/80/92/160158092.db2.gz SVOMRPJXLNYENX-LJQANCHMSA-N 2 2 325.412 2.220 10 30 EEEELP C[N@@H+](Cc1ccc(C#N)o1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000190315119 160158093 /nfs/dbraw/zinc/15/80/93/160158093.db2.gz SVOMRPJXLNYENX-LJQANCHMSA-N 2 2 325.412 2.220 10 30 EEEELP C[NH+](Cc1ccc(C#N)o1)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000190315119 160158095 /nfs/dbraw/zinc/15/80/95/160158095.db2.gz SVOMRPJXLNYENX-LJQANCHMSA-N 2 2 325.412 2.220 10 30 EEEELP C[NH+](Cc1ccc(C#N)o1)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000190315119 160158097 /nfs/dbraw/zinc/15/80/97/160158097.db2.gz SVOMRPJXLNYENX-LJQANCHMSA-N 2 2 325.412 2.220 10 30 EEEELP CC[N@H+](C)C[C@@H]1CCN(C(=O)NC[C@H]2CCCn3cc(C)[nH+]c32)C1 ZINC000328659817 465092449 /nfs/dbraw/zinc/09/24/49/465092449.db2.gz UFMSTYKDDAERJI-JKSUJKDBSA-N 2 2 333.480 2.257 10 30 EEEELP CC[N@@H+](C)C[C@@H]1CCN(C(=O)NC[C@H]2CCCn3cc(C)[nH+]c32)C1 ZINC000328659817 465092456 /nfs/dbraw/zinc/09/24/56/465092456.db2.gz UFMSTYKDDAERJI-JKSUJKDBSA-N 2 2 333.480 2.257 10 30 EEEELP C[NH+]1CCN([C@H]2CCCC[N@H+](Cc3cc(F)ccc3C#N)C2)CC1 ZINC000182904523 464755207 /nfs/dbraw/zinc/75/52/07/464755207.db2.gz ZJPFZBBGFKLPPP-IBGZPJMESA-N 2 2 330.451 2.299 10 30 EEEELP C[NH+]1CCN([C@H]2CCCC[N@@H+](Cc3cc(F)ccc3C#N)C2)CC1 ZINC000182904523 464755213 /nfs/dbraw/zinc/75/52/13/464755213.db2.gz ZJPFZBBGFKLPPP-IBGZPJMESA-N 2 2 330.451 2.299 10 30 EEEELP CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCc1cn2c([nH+]1)CCCC2 ZINC000329809156 465441729 /nfs/dbraw/zinc/44/17/29/465441729.db2.gz PXEVPQBOVBESTB-CVEARBPZSA-N 2 2 331.464 2.192 10 30 EEEELP CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NCc1cn2c([nH+]1)CCCC2 ZINC000329809156 465441733 /nfs/dbraw/zinc/44/17/33/465441733.db2.gz PXEVPQBOVBESTB-CVEARBPZSA-N 2 2 331.464 2.192 10 30 EEEELP CN(C)c1[nH+]cccc1CNC(=O)NC[C@@H]1[N@H+](C)CCCC1(C)C ZINC000331332065 466035674 /nfs/dbraw/zinc/03/56/74/466035674.db2.gz SABQEFSVJVQTJD-HNNXBMFYSA-N 2 2 333.480 2.272 10 30 EEEELP CN(C)c1[nH+]cccc1CNC(=O)NC[C@@H]1[N@@H+](C)CCCC1(C)C ZINC000331332065 466035680 /nfs/dbraw/zinc/03/56/80/466035680.db2.gz SABQEFSVJVQTJD-HNNXBMFYSA-N 2 2 333.480 2.272 10 30 EEEELP C[NH+]1CCN(C[C@H]([NH2+]Cc2nc(C#N)cs2)c2ccccc2)CC1 ZINC000589312878 468142718 /nfs/dbraw/zinc/14/27/18/468142718.db2.gz PCQMPGAACBRKLK-KRWDZBQOSA-N 2 2 341.484 2.093 10 30 EEEELP C[NH+]1CCC([N@@H+]2CC[C@H](Nc3ccc(C#N)c([N+](=O)[O-])c3)C2)CC1 ZINC000589572662 468163048 /nfs/dbraw/zinc/16/30/48/468163048.db2.gz JVBLVEJANXEKSL-HNNXBMFYSA-N 2 2 329.404 2.047 10 30 EEEELP C[NH+]1CCC([N@H+]2CC[C@H](Nc3ccc(C#N)c([N+](=O)[O-])c3)C2)CC1 ZINC000589572662 468163058 /nfs/dbraw/zinc/16/30/58/468163058.db2.gz JVBLVEJANXEKSL-HNNXBMFYSA-N 2 2 329.404 2.047 10 30 EEEELP N#CCCCC[C@@H]([NH3+])C(=O)NCC[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000594456578 468594792 /nfs/dbraw/zinc/59/47/92/468594792.db2.gz QZZVCYSTACPYST-QGZVFWFLSA-N 2 2 348.878 2.226 10 30 EEEELP N#CCCCC[C@@H]([NH3+])C(=O)NCC[N@H+]1CCc2c(Cl)cccc2C1 ZINC000594456578 468594797 /nfs/dbraw/zinc/59/47/97/468594797.db2.gz QZZVCYSTACPYST-QGZVFWFLSA-N 2 2 348.878 2.226 10 30 EEEELP C[C@H](C[N@H+](C)Cc1ccccc1)[NH2+]C[C@H](O)CC1(C#N)CCOCC1 ZINC000600731191 468639292 /nfs/dbraw/zinc/63/92/92/468639292.db2.gz KGKPQAVCEMFAIS-IEBWSBKVSA-N 2 2 345.487 2.168 10 30 EEEELP C[C@H](C[N@@H+](C)Cc1ccccc1)[NH2+]C[C@H](O)CC1(C#N)CCOCC1 ZINC000600731191 468639297 /nfs/dbraw/zinc/63/92/97/468639297.db2.gz KGKPQAVCEMFAIS-IEBWSBKVSA-N 2 2 345.487 2.168 10 30 EEEELP C=CC[C@]1(C(=O)N2CC[NH+](Cc3cccc(F)c3)CC2)CCC[NH2+]1 ZINC000662787251 472251065 /nfs/dbraw/zinc/25/10/65/472251065.db2.gz KMJIYXDKMACOLO-LJQANCHMSA-N 2 2 331.435 2.168 10 30 EEEELP O=C1[C@@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)CCCN1O ZINC000895158074 684146304 /nfs/dbraw/zinc/14/63/04/684146304.db2.gz HVBNBDKSDRYHLX-SJORKVTESA-N 2 2 329.444 2.153 10 30 EEEELP O=C1[C@@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)CCCN1O ZINC000895158074 684146305 /nfs/dbraw/zinc/14/63/05/684146305.db2.gz HVBNBDKSDRYHLX-SJORKVTESA-N 2 2 329.444 2.153 10 30 EEEELP C=CCC[NH2+]C[C@H](C1CC1)N(C)C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001485812157 1191973092 /nfs/dbraw/zinc/97/30/92/1191973092.db2.gz USVYIMBXTGHUDL-QGZVFWFLSA-N 2 2 330.476 2.165 10 30 EEEELP C=CC[N@H+]1CC[C@H](N(CCC)C(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001267466846 1179078161 /nfs/dbraw/zinc/07/81/61/1179078161.db2.gz SBULGQBPLQWZNQ-KRWDZBQOSA-N 2 2 339.443 2.380 10 30 EEEELP C=CC[N@@H+]1CC[C@H](N(CCC)C(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001267466846 1179078167 /nfs/dbraw/zinc/07/81/67/1179078167.db2.gz SBULGQBPLQWZNQ-KRWDZBQOSA-N 2 2 339.443 2.380 10 30 EEEELP CC[C@@H](CNC(=O)Cn1cc[nH+]c1)[NH2+]CC#Cc1ccccc1Cl ZINC001267832062 1180601443 /nfs/dbraw/zinc/60/14/43/1180601443.db2.gz XHGWFECQKLBNQU-INIZCTEOSA-N 2 2 344.846 2.073 10 30 EEEELP C=C(C)CC[NH2+]CC1(NC(=O)[C@H]2CCn3cc[nH+]c3C2)CCCC1 ZINC001267839166 1180612462 /nfs/dbraw/zinc/61/24/62/1180612462.db2.gz JJZCUDYEEYTILH-INIZCTEOSA-N 2 2 330.476 2.430 10 30 EEEELP C=CC[NH2+]C[C@]1(NC(=O)Cc2c[nH+]ccc2OC)CCCC[C@@H]1C ZINC001267870828 1180659886 /nfs/dbraw/zinc/65/98/86/1180659886.db2.gz RAHRDQLZRILHPK-HNAYVOBHSA-N 2 2 331.460 2.473 10 30 EEEELP C=CCC[C@H](C)[N@@H+]1CC[C@H](N(C)C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001269251994 1184104020 /nfs/dbraw/zinc/10/40/20/1184104020.db2.gz VDDSOLZPBIWJRQ-GJZGRUSLSA-N 2 2 334.464 2.237 10 30 EEEELP C=CCC[C@H](C)[N@H+]1CC[C@H](N(C)C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001269251994 1184104028 /nfs/dbraw/zinc/10/40/28/1184104028.db2.gz VDDSOLZPBIWJRQ-GJZGRUSLSA-N 2 2 334.464 2.237 10 30 EEEELP C=C(C)CC[NH2+]CC1(NC(=O)[C@@H]2CCc3c[nH+]cn3C2)CCCC1 ZINC001269559140 1184391459 /nfs/dbraw/zinc/39/14/59/1184391459.db2.gz UAIZRERUJVYGFN-MRXNPFEDSA-N 2 2 330.476 2.430 10 30 EEEELP C=CCOCC[NH2+][C@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1C ZINC001482422788 1185667390 /nfs/dbraw/zinc/66/73/90/1185667390.db2.gz HEHLJWJKSJIZCT-ZBFHGGJFSA-N 2 2 342.443 2.206 10 30 EEEELP C#CC[NH+]1CCC2(CCN(C(=O)[C@@H](CC(C)C)n3cc[nH+]c3)C2)CC1 ZINC001671054729 1193604541 /nfs/dbraw/zinc/60/45/41/1193604541.db2.gz CZBBEVCIBWQJDR-GOSISDBHSA-N 2 2 342.487 2.418 10 30 EEEELP C[C@@H](NC(=O)Cn1cc[nH+]c1)[C@H](C)[NH2+]CC#Cc1ccc(Cl)cc1 ZINC001485235436 1191701274 /nfs/dbraw/zinc/70/12/74/1191701274.db2.gz XDIXDWUWPGDDMJ-LSDHHAIUSA-N 2 2 344.846 2.071 10 30 EEEELP C=CCCC[NH2+][C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CC[C@@H]1C(F)(F)F ZINC001486452959 1193974675 /nfs/dbraw/zinc/97/46/75/1193974675.db2.gz RXKPMZHTDXVZKP-QWHCGFSZSA-N 2 2 344.381 2.287 10 30 EEEELP C#CCOc1ccc(C[NH+]2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)cc1 ZINC000093147689 1214778182 /nfs/dbraw/zinc/77/81/82/1214778182.db2.gz WHQWJPCDKCEHMV-FQEVSTJZSA-N 2 2 341.499 2.301 10 30 EEEELP C#CCOc1ccc(C[NH+]2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)cc1 ZINC000093147689 1214778186 /nfs/dbraw/zinc/77/81/86/1214778186.db2.gz WHQWJPCDKCEHMV-FQEVSTJZSA-N 2 2 341.499 2.301 10 30 EEEELP CC#CC[N@H+]1CC[C@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)C)[C@H]1CC ZINC001489146959 1290406941 /nfs/dbraw/zinc/40/69/41/1290406941.db2.gz CRHRXLPFJWFXIH-IPMKNSEASA-N 2 2 327.472 2.282 10 30 EEEELP CC#CC[N@@H+]1CC[C@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)C)[C@H]1CC ZINC001489146959 1290406949 /nfs/dbraw/zinc/40/69/49/1290406949.db2.gz CRHRXLPFJWFXIH-IPMKNSEASA-N 2 2 327.472 2.282 10 30 EEEELP C#CCN(C(=O)[C@@H](C)Cc1c[nH]c[nH+]1)C1CC[NH+](CCC=C)CC1 ZINC001278188463 1306224423 /nfs/dbraw/zinc/22/44/23/1306224423.db2.gz QGXRPTSSVFOBBR-INIZCTEOSA-N 2 2 328.460 2.091 10 30 EEEELP C#CCN(C(=O)[C@@H](C)Cc1c[nH+]c[nH]1)C1CC[NH+](CCC=C)CC1 ZINC001278188463 1306224431 /nfs/dbraw/zinc/22/44/31/1306224431.db2.gz QGXRPTSSVFOBBR-INIZCTEOSA-N 2 2 328.460 2.091 10 30 EEEELP C#CC[NH+]1CCC([C@H]2CCCN(C(=O)CCCn3cc[nH+]c3)C2)CC1 ZINC001278964179 1318854969 /nfs/dbraw/zinc/85/49/69/1318854969.db2.gz OCMQTKUMKPZHBJ-IBGZPJMESA-N 2 2 342.487 2.247 10 30 EEEELP C=CCC[C@@H](C)[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001264425606 1322698257 /nfs/dbraw/zinc/69/82/57/1322698257.db2.gz AFFHTCNULRFYME-WCXIOVBPSA-N 2 2 330.476 2.285 10 30 EEEELP CC#CC[NH2+]Cc1ccc(CNC(=O)C[C@@H](C)n2cc[nH+]c2)c(F)c1 ZINC001279722650 1323986210 /nfs/dbraw/zinc/98/62/10/1323986210.db2.gz MMHMSROQMHTCJR-OAHLLOKOSA-N 2 2 342.418 2.403 10 30 EEEELP C#CCC[N@@H+](CC)CC1CCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC001281833154 1325479800 /nfs/dbraw/zinc/47/98/00/1325479800.db2.gz BIPMBCNONKMWMF-GOSISDBHSA-N 2 2 342.487 2.029 10 30 EEEELP C#CCC[N@H+](CC)CC1CCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC001281833154 1325479804 /nfs/dbraw/zinc/47/98/04/1325479804.db2.gz BIPMBCNONKMWMF-GOSISDBHSA-N 2 2 342.487 2.029 10 30 EEEELP C=C(C)C[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC001283529667 1326115921 /nfs/dbraw/zinc/11/59/21/1326115921.db2.gz HRHHAHDVJBZHHT-RBUKOAKNSA-N 2 2 349.519 2.033 10 30 EEEELP C=C(C)C[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC001283529667 1326115922 /nfs/dbraw/zinc/11/59/22/1326115922.db2.gz HRHHAHDVJBZHHT-RBUKOAKNSA-N 2 2 349.519 2.033 10 30 EEEELP C=CCC[NH2+][C@@H]1CCCCCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001316773994 1331886448 /nfs/dbraw/zinc/88/64/48/1331886448.db2.gz SAXIUKXKUFVTTQ-DLBZAZTESA-N 2 2 330.476 2.382 10 30 EEEELP C=CCCC[NH2+]C[C@H]1CCCCN1C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001317188586 1332122157 /nfs/dbraw/zinc/12/21/57/1332122157.db2.gz KYSVWVUFLPUZNP-FUHWJXTLSA-N 2 2 330.476 2.382 10 30 EEEELP C[NH+](C)CCC(=O)NC[C@@H]1CCC[N@@H+]1CC#Cc1ccccc1Cl ZINC001317510778 1332274314 /nfs/dbraw/zinc/27/43/14/1332274314.db2.gz SXGVGJXNCYTIRP-KRWDZBQOSA-N 2 2 347.890 2.224 10 30 EEEELP C[NH+](C)CCC(=O)NC[C@@H]1CCC[N@H+]1CC#Cc1ccccc1Cl ZINC001317510778 1332274316 /nfs/dbraw/zinc/27/43/16/1332274316.db2.gz SXGVGJXNCYTIRP-KRWDZBQOSA-N 2 2 347.890 2.224 10 30 EEEELP C#CCN(C(=O)CCn1cc[nH+]c1)C1CC[NH+](CC2CC(C)C2)CC1 ZINC001324407510 1333676210 /nfs/dbraw/zinc/67/62/10/1333676210.db2.gz KWTQWPYAJKKMEM-UHFFFAOYSA-N 2 2 342.487 2.246 10 30 EEEELP C=CCC[C@@H](C)[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001325055145 1333819698 /nfs/dbraw/zinc/81/96/98/1333819698.db2.gz RTUWWVGXJQLBKP-CABCVRRESA-N 2 2 340.418 2.311 10 30 EEEELP C=CCC[C@@H](C)[N@H+]1CCC(F)(F)[C@@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001325055145 1333819702 /nfs/dbraw/zinc/81/97/02/1333819702.db2.gz RTUWWVGXJQLBKP-CABCVRRESA-N 2 2 340.418 2.311 10 30 EEEELP C=C(C)C[NH2+][C@@H](CCN(C)C(=O)[C@@H]1CCc2c[nH+]cn2C1)C(C)C ZINC001329742655 1334706678 /nfs/dbraw/zinc/70/66/78/1334706678.db2.gz OYRUXHQCALZDLU-AEFFLSMTSA-N 2 2 332.492 2.484 10 30 EEEELP N#Cc1cccc(NC(=O)CC[NH2+]C[C@@H]2CC[N@@H+]2C2CCCC2)c1 ZINC001331763052 1335068319 /nfs/dbraw/zinc/06/83/19/1335068319.db2.gz VGEXOSCQYYGADH-SFHVURJKSA-N 2 2 326.444 2.493 10 30 EEEELP N#Cc1cccc(NC(=O)CC[NH2+]C[C@@H]2CC[N@H+]2C2CCCC2)c1 ZINC001331763052 1335068323 /nfs/dbraw/zinc/06/83/23/1335068323.db2.gz VGEXOSCQYYGADH-SFHVURJKSA-N 2 2 326.444 2.493 10 30 EEEELP CC#CC[NH2+][C@H]1CN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)CC1(C)C ZINC001332388939 1335815855 /nfs/dbraw/zinc/81/58/55/1335815855.db2.gz SPHPYGOTZTVOGO-IRXDYDNUSA-N 2 2 330.476 2.320 10 30 EEEELP C=C(C)C[NH2+]CCC[C@H](C)NC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC001675959532 1357078622 /nfs/dbraw/zinc/07/86/22/1357078622.db2.gz ZJXZGMHVHSUTKI-FUHWJXTLSA-N 2 2 337.508 2.080 10 30 EEEELP C=C(C)C[NH2+]CCC[C@H](C)NC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC001675959532 1357078626 /nfs/dbraw/zinc/07/86/26/1357078626.db2.gz ZJXZGMHVHSUTKI-FUHWJXTLSA-N 2 2 337.508 2.080 10 30 EEEELP C=CCCC[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)C1 ZINC001569477094 1342880820 /nfs/dbraw/zinc/88/08/20/1342880820.db2.gz AOWQBTYNSLJTCJ-MDZRGWNJSA-N 2 2 328.460 2.404 10 30 EEEELP C=CCCC[N@H+]1CC[C@]2(CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)C1 ZINC001569477094 1342880822 /nfs/dbraw/zinc/88/08/22/1342880822.db2.gz AOWQBTYNSLJTCJ-MDZRGWNJSA-N 2 2 328.460 2.404 10 30 EEEELP C=CCCC[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)C1 ZINC001569477094 1342880828 /nfs/dbraw/zinc/88/08/28/1342880828.db2.gz AOWQBTYNSLJTCJ-MDZRGWNJSA-N 2 2 328.460 2.404 10 30 EEEELP C=CCCC[N@H+]1CC[C@]2(CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)C1 ZINC001569477094 1342880836 /nfs/dbraw/zinc/88/08/36/1342880836.db2.gz AOWQBTYNSLJTCJ-MDZRGWNJSA-N 2 2 328.460 2.404 10 30 EEEELP C=CCCC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC001570179041 1343027264 /nfs/dbraw/zinc/02/72/64/1343027264.db2.gz FLWIZCVTGIRSBV-IRXDYDNUSA-N 2 2 330.476 2.382 10 30 EEEELP C=CCCC[N@H+]1CCC[C@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC001570179041 1343027268 /nfs/dbraw/zinc/02/72/68/1343027268.db2.gz FLWIZCVTGIRSBV-IRXDYDNUSA-N 2 2 330.476 2.382 10 30 EEEELP C#CCC[NH2+][C@H](CCNC(=O)Cc1cn2cccc(C)c2[nH+]1)C(C)C ZINC001676175690 1357116277 /nfs/dbraw/zinc/11/62/77/1357116277.db2.gz OFBSEPJQJYROPZ-GOSISDBHSA-N 2 2 340.471 2.329 10 30 EEEELP C=CCC[C@H](C)[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCc1[nH+]ccn1C ZINC001661257748 1354618626 /nfs/dbraw/zinc/61/86/26/1354618626.db2.gz NMJSHCWPPLCTRF-YESZJQIVSA-N 2 2 330.476 2.383 10 30 EEEELP C=CCC[C@H](C)[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCc1[nH+]ccn1C ZINC001661257748 1354618629 /nfs/dbraw/zinc/61/86/29/1354618629.db2.gz NMJSHCWPPLCTRF-YESZJQIVSA-N 2 2 330.476 2.383 10 30 EEEELP CC#CC[NH+]1CCC(CCNC(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC001666367652 1355518491 /nfs/dbraw/zinc/51/84/91/1355518491.db2.gz BFSQDUMBYOKBMS-UHFFFAOYSA-N 2 2 330.476 2.168 10 30 EEEELP C#CCN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C1CC[NH+](CCC(C)C)CC1 ZINC001671481395 1356347095 /nfs/dbraw/zinc/34/70/95/1356347095.db2.gz IXOMATUWWYXGKD-QZTJIDSGSA-N 2 2 342.487 2.486 10 30 EEEELP C#CCN(C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C1CC[NH+](CCC(C)C)CC1 ZINC001671481395 1356347096 /nfs/dbraw/zinc/34/70/96/1356347096.db2.gz IXOMATUWWYXGKD-QZTJIDSGSA-N 2 2 342.487 2.486 10 30 EEEELP C#CCN(C(=O)CCCn1cc[nH+]c1)C1CC[NH+](C/C=C/Cl)CC1 ZINC001671507994 1356353044 /nfs/dbraw/zinc/35/30/44/1356353044.db2.gz MERUBRJMOXFXFB-XBXARRHUSA-N 2 2 348.878 2.342 10 30 EEEELP CN(CC[N@H+](C)CC#Cc1ccccc1Cl)C(=O)[C@@H]1CCC[NH+]1C ZINC001698983743 1405201188 /nfs/dbraw/zinc/20/11/88/1405201188.db2.gz MZPIZWBRMLYOPW-SFHVURJKSA-N 2 2 347.890 2.176 10 30 EEEELP CN(CC[N@@H+](C)CC#Cc1ccccc1Cl)C(=O)[C@@H]1CCC[NH+]1C ZINC001698983743 1405201195 /nfs/dbraw/zinc/20/11/95/1405201195.db2.gz MZPIZWBRMLYOPW-SFHVURJKSA-N 2 2 347.890 2.176 10 30 EEEELP CN(CC[NH+](C)CC#Cc1ccccc1Cl)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001698983743 1405201203 /nfs/dbraw/zinc/20/12/03/1405201203.db2.gz MZPIZWBRMLYOPW-SFHVURJKSA-N 2 2 347.890 2.176 10 30 EEEELP CN(CC[NH+](C)CC#Cc1ccccc1Cl)C(=O)[C@@H]1CCC[N@H+]1C ZINC001698983743 1405201207 /nfs/dbraw/zinc/20/12/07/1405201207.db2.gz MZPIZWBRMLYOPW-SFHVURJKSA-N 2 2 347.890 2.176 10 30 EEEELP C=CCC[NH2+]C1(CNC(=O)c2cc([C@@H]3CCC[N@H+]3C)n[nH]2)CCCC1 ZINC001495915477 1101759749 /nfs/dbraw/zinc/75/97/49/1101759749.db2.gz SVJOUUJWMCARSV-KRWDZBQOSA-N 2 2 345.491 2.385 10 30 EEEELP C=CCC[NH2+]C1(CNC(=O)c2cc([C@@H]3CCC[N@@H+]3C)n[nH]2)CCCC1 ZINC001495915477 1101759758 /nfs/dbraw/zinc/75/97/58/1101759758.db2.gz SVJOUUJWMCARSV-KRWDZBQOSA-N 2 2 345.491 2.385 10 30 EEEELP C[C@@H](CNC(=O)C[C@H](C)n1cc[nH+]c1)C[NH2+]CC#Cc1ccccc1 ZINC001568197208 1124349666 /nfs/dbraw/zinc/34/96/66/1124349666.db2.gz PANNRUZQRFGILG-MSOLQXFVSA-N 2 2 338.455 2.228 10 30 EEEELP Cn1cc[nH+]c1CC1CC[NH+](CC(=O)NC2(C#N)CCCCC2)CC1 ZINC000105875790 237095513 /nfs/dbraw/zinc/09/55/13/237095513.db2.gz AGMUEIKBBPBBNZ-UHFFFAOYSA-N 2 2 343.475 2.017 10 30 EEEELP C[N@@H+]1CC[C@]2(CC[NH+]([C@@H]3CCCN(c4ccc(C#N)cc4)C3=O)C2)C1 ZINC000366530806 277186348 /nfs/dbraw/zinc/18/63/48/277186348.db2.gz QEAMYMWGMLGXAF-QUCCMNQESA-N 2 2 338.455 2.081 10 30 EEEELP C[N@H+]1CC[C@]2(CC[NH+]([C@@H]3CCCN(c4ccc(C#N)cc4)C3=O)C2)C1 ZINC000366530806 277186350 /nfs/dbraw/zinc/18/63/50/277186350.db2.gz QEAMYMWGMLGXAF-QUCCMNQESA-N 2 2 338.455 2.081 10 30 EEEELP C[NH+]1CC[C@]2(CC[N@@H+]([C@@H]3CCCN(c4ccc(C#N)cc4)C3=O)C2)C1 ZINC000366530806 277186351 /nfs/dbraw/zinc/18/63/51/277186351.db2.gz QEAMYMWGMLGXAF-QUCCMNQESA-N 2 2 338.455 2.081 10 30 EEEELP C[NH+]1CC[C@]2(CC[N@H+]([C@@H]3CCCN(c4ccc(C#N)cc4)C3=O)C2)C1 ZINC000366530806 277186353 /nfs/dbraw/zinc/18/63/53/277186353.db2.gz QEAMYMWGMLGXAF-QUCCMNQESA-N 2 2 338.455 2.081 10 30 EEEELP Cc1cn2c([nH+]1)[C@H](CNC(=O)N(C)C[C@@H]1CCC[N@H+](C)C1)CCC2 ZINC000328700298 465103936 /nfs/dbraw/zinc/10/39/36/465103936.db2.gz IPISQIIPDOANAV-CVEARBPZSA-N 2 2 333.480 2.257 10 30 EEEELP Cc1cn2c([nH+]1)[C@H](CNC(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1)CCC2 ZINC000328700298 465103943 /nfs/dbraw/zinc/10/39/43/465103943.db2.gz IPISQIIPDOANAV-CVEARBPZSA-N 2 2 333.480 2.257 10 30 EEEELP C=CC[N@@H+](CCOC)CC(=O)N1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000361998042 466472225 /nfs/dbraw/zinc/47/22/25/466472225.db2.gz ZZZAYGXRVOSISM-SFHVURJKSA-N 2 2 345.487 2.026 10 30 EEEELP C=CC[N@H+](CCOC)CC(=O)N1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000361998042 466472237 /nfs/dbraw/zinc/47/22/37/466472237.db2.gz ZZZAYGXRVOSISM-SFHVURJKSA-N 2 2 345.487 2.026 10 30 EEEELP C[C@H](c1cccc(F)c1)[NH+]1CCN(C(=O)[C@H]([NH3+])CCCC#N)CC1 ZINC000424188828 466999626 /nfs/dbraw/zinc/99/96/26/466999626.db2.gz KAWDWDWRTLCIQB-RHSMWYFYSA-N 2 2 332.423 2.052 10 30 EEEELP Cn1cc[nH+]c1[C@H](NC(=O)[C@@H]([NH3+])CCCCC#N)c1ccccc1 ZINC000594440409 468588779 /nfs/dbraw/zinc/58/87/79/468588779.db2.gz BZYULZMFCNZQFO-JKSUJKDBSA-N 2 2 325.416 2.037 10 30 EEEELP N#CC1(C[C@@H](O)C[NH2+]CCCc2[nH]c3ccccc3[nH+]2)CCOCC1 ZINC000600718853 468633178 /nfs/dbraw/zinc/63/31/78/468633178.db2.gz AYUXRMYIIJGXHG-OAHLLOKOSA-N 2 2 342.443 2.156 10 30 EEEELP Cc1cc[nH+]cc1N1CC[NH+](CCC(=O)Nc2ccc(C#N)cc2)CC1 ZINC000559683049 468751529 /nfs/dbraw/zinc/75/15/29/468751529.db2.gz YFZLUMREIHKCLI-UHFFFAOYSA-N 2 2 349.438 2.413 10 30 EEEELP CCOC(=O)C1C/C(=C/c2[nH]cc[nH+]2)C(=O)/C(=C\c2[nH]cc[nH+]2)C1 ZINC000731159890 577083599 /nfs/dbraw/zinc/08/35/99/577083599.db2.gz YJNNEQGZTRPRLA-HWAYABPNSA-N 2 2 326.356 2.142 10 30 EEEELP C=C(Cl)C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)CCn3cc[nH+]c3)C[C@@H]2C1 ZINC001485657068 1191891616 /nfs/dbraw/zinc/89/16/16/1191891616.db2.gz LPHFPBMBUOEUNU-ARFHVFGLSA-N 2 2 336.867 2.242 10 30 EEEELP C=C(Cl)C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)CCn3cc[nH+]c3)C[C@@H]2C1 ZINC001485657068 1191891618 /nfs/dbraw/zinc/89/16/18/1191891618.db2.gz LPHFPBMBUOEUNU-ARFHVFGLSA-N 2 2 336.867 2.242 10 30 EEEELP C=CCCC[NH2+][C@H]1C[C@@H](CNC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001691095830 1177569428 /nfs/dbraw/zinc/56/94/28/1177569428.db2.gz LWKYSLWTOPTWFY-IYBDPMFKSA-N 2 2 330.476 2.213 10 30 EEEELP C=C(C)CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001267586484 1179553405 /nfs/dbraw/zinc/55/34/05/1179553405.db2.gz SNKADDLQTJCXKX-IAGOWNOFSA-N 2 2 330.476 2.192 10 30 EEEELP C=C(C)CC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001267586484 1179553408 /nfs/dbraw/zinc/55/34/08/1179553408.db2.gz SNKADDLQTJCXKX-IAGOWNOFSA-N 2 2 330.476 2.192 10 30 EEEELP C#CC[NH2+][C@@H](CNC(=O)C[C@@H](C)n1cc[nH+]c1CC)c1ccccc1 ZINC001481367804 1181141317 /nfs/dbraw/zinc/14/13/17/1181141317.db2.gz ZKRBTBAAEKNKQZ-AEFFLSMTSA-N 2 2 338.455 2.477 10 30 EEEELP C=C(C)C[N@H+](C)CC1CCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC001481515870 1181620658 /nfs/dbraw/zinc/62/06/58/1181620658.db2.gz GBJNLGAMWVPIMH-QGZVFWFLSA-N 2 2 330.476 2.192 10 30 EEEELP C=C(C)C[N@@H+](C)CC1CCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC001481515870 1181620661 /nfs/dbraw/zinc/62/06/61/1181620661.db2.gz GBJNLGAMWVPIMH-QGZVFWFLSA-N 2 2 330.476 2.192 10 30 EEEELP C=C(C)CC[N@@H+](C)C[C@H](C)NC(=O)c1cc([C@@H]2CCC[NH+]2C)n[nH]1 ZINC001268730690 1183647656 /nfs/dbraw/zinc/64/76/56/1183647656.db2.gz JKPKPAOOCCXKQE-YOEHRIQHSA-N 2 2 333.480 2.193 10 30 EEEELP C=C(C)CC[N@H+](C)C[C@H](C)NC(=O)c1cc([C@@H]2CCC[NH+]2C)n[nH]1 ZINC001268730690 1183647660 /nfs/dbraw/zinc/64/76/60/1183647660.db2.gz JKPKPAOOCCXKQE-YOEHRIQHSA-N 2 2 333.480 2.193 10 30 EEEELP C=C(C)CC[NH+](C)C[C@H](C)NC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1 ZINC001268730690 1183647665 /nfs/dbraw/zinc/64/76/65/1183647665.db2.gz JKPKPAOOCCXKQE-YOEHRIQHSA-N 2 2 333.480 2.193 10 30 EEEELP C=C(C)CC[NH+](C)C[C@H](C)NC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1 ZINC001268730690 1183647668 /nfs/dbraw/zinc/64/76/68/1183647668.db2.gz JKPKPAOOCCXKQE-YOEHRIQHSA-N 2 2 333.480 2.193 10 30 EEEELP C#CCC[N@H+](CC1CC1)C1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1 ZINC001269632720 1184457900 /nfs/dbraw/zinc/45/79/00/1184457900.db2.gz LATUIMVEDCPRHI-UHFFFAOYSA-N 2 2 342.487 2.414 10 30 EEEELP C#CCC[N@@H+](CC1CC1)C1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1 ZINC001269632720 1184457904 /nfs/dbraw/zinc/45/79/04/1184457904.db2.gz LATUIMVEDCPRHI-UHFFFAOYSA-N 2 2 342.487 2.414 10 30 EEEELP CC#CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H](CC(C)C)n3cc[nH+]c3)C2)C1 ZINC001269731280 1184566485 /nfs/dbraw/zinc/56/64/85/1184566485.db2.gz HQKCDYJKWPZMGN-AZUAARDMSA-N 2 2 342.487 2.418 10 30 EEEELP CC#CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@H](CC(C)C)n3cc[nH+]c3)C2)C1 ZINC001269731280 1184566492 /nfs/dbraw/zinc/56/64/92/1184566492.db2.gz HQKCDYJKWPZMGN-AZUAARDMSA-N 2 2 342.487 2.418 10 30 EEEELP C#CCC[NH2+]C[C@@H](NC(=O)[C@H]1CCc2[nH+]ccn2C1)C1CCCCC1 ZINC001482405392 1185627029 /nfs/dbraw/zinc/62/70/29/1185627029.db2.gz CTKBUQGFMOURPJ-ZWKOTPCHSA-N 2 2 342.487 2.124 10 30 EEEELP C=CC[N@H+](C)CCC1CCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC001271778145 1186477633 /nfs/dbraw/zinc/47/76/33/1186477633.db2.gz FGZUXOYMAYZBGJ-KRWDZBQOSA-N 2 2 330.476 2.192 10 30 EEEELP C=CC[N@@H+](C)CCC1CCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC001271778145 1186477639 /nfs/dbraw/zinc/47/76/39/1186477639.db2.gz FGZUXOYMAYZBGJ-KRWDZBQOSA-N 2 2 330.476 2.192 10 30 EEEELP C=CCC[NH2+][C@@H]1CCCCCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001691625850 1188676927 /nfs/dbraw/zinc/67/69/27/1188676927.db2.gz OZSONNATHUFAKE-DLBZAZTESA-N 2 2 330.476 2.382 10 30 EEEELP C=C(C)CC[NH2+]CC[C@H]1CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001272474958 1190840627 /nfs/dbraw/zinc/84/06/27/1190840627.db2.gz LEPUYZJBQANFND-IRXDYDNUSA-N 2 2 330.476 2.240 10 30 EEEELP C#CC[N@H+]1Cc2ccc(CNC(=O)C(C)(C)[NH+]3CCCC3)cc2C1 ZINC001484873245 1191557064 /nfs/dbraw/zinc/55/70/64/1191557064.db2.gz AWVXSZCTMLUNAT-UHFFFAOYSA-N 2 2 325.456 2.126 10 30 EEEELP C#CC[N@@H+]1Cc2ccc(CNC(=O)C(C)(C)[NH+]3CCCC3)cc2C1 ZINC001484873245 1191557065 /nfs/dbraw/zinc/55/70/65/1191557065.db2.gz AWVXSZCTMLUNAT-UHFFFAOYSA-N 2 2 325.456 2.126 10 30 EEEELP C=C(C)C[NH2+]CC(C)(C)CN(C)C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001485251901 1191704338 /nfs/dbraw/zinc/70/43/38/1191704338.db2.gz OMQNODHMORTTOC-UHFFFAOYSA-N 2 2 332.492 2.412 10 30 EEEELP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)[N@H+](C)CC=C(Cl)Cl)CC1 ZINC001276010544 1205635099 /nfs/dbraw/zinc/63/50/99/1205635099.db2.gz HEKNTEPHEODATD-CYBMUJFWSA-N 2 2 346.302 2.087 10 30 EEEELP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)[N@@H+](C)CC=C(Cl)Cl)CC1 ZINC001276010544 1205635100 /nfs/dbraw/zinc/63/51/00/1205635100.db2.gz HEKNTEPHEODATD-CYBMUJFWSA-N 2 2 346.302 2.087 10 30 EEEELP C[C@@H]1C[N@H+](C(C)(C)CNC(=[NH2+])NCCc2cccs2)C[C@H](C)O1 ZINC000303790589 1213906258 /nfs/dbraw/zinc/90/62/58/1213906258.db2.gz WNHFVJGRBWCIFW-OKILXGFUSA-N 2 2 338.521 2.083 10 30 EEEELP C[C@@H]1C[N@@H+](C(C)(C)CNC(=[NH2+])NCCc2cccs2)C[C@H](C)O1 ZINC000303790589 1213906261 /nfs/dbraw/zinc/90/62/61/1213906261.db2.gz WNHFVJGRBWCIFW-OKILXGFUSA-N 2 2 338.521 2.083 10 30 EEEELP C[C@H]1C[NH+](C(C)(C)CNC(=[NH2+])NCCc2cccs2)C[C@H](C)O1 ZINC000303790588 1213906333 /nfs/dbraw/zinc/90/63/33/1213906333.db2.gz WNHFVJGRBWCIFW-KBPBESRZSA-N 2 2 338.521 2.083 10 30 EEEELP C=C(CC[NH+](C)C)C(=O)N[C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000900887021 1234959730 /nfs/dbraw/zinc/95/97/30/1234959730.db2.gz QANYYOBLLLLWPV-KRWDZBQOSA-N 2 2 326.444 2.328 10 30 EEEELP C#CCN(C(=O)Cc1[nH]cc[nH+]1)C1CC[NH+](CCCC2CCC2)CC1 ZINC001278194510 1306244259 /nfs/dbraw/zinc/24/42/59/1306244259.db2.gz OVIZKJFFXXAXRG-UHFFFAOYSA-N 2 2 342.487 2.459 10 30 EEEELP C=CCC[N@@H+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001264741421 1322798959 /nfs/dbraw/zinc/79/89/59/1322798959.db2.gz AGNAWTZAPDXSKT-AEFFLSMTSA-N 2 2 330.476 2.335 10 30 EEEELP C=CCC[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001264741421 1322798960 /nfs/dbraw/zinc/79/89/60/1322798960.db2.gz AGNAWTZAPDXSKT-AEFFLSMTSA-N 2 2 330.476 2.335 10 30 EEEELP C=CCC[C@@H](C)[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001265408650 1323137320 /nfs/dbraw/zinc/13/73/20/1323137320.db2.gz PUEZYOPYLQZWNN-TVFCKZIOSA-N 2 2 342.487 2.475 10 30 EEEELP C=CCC[C@@H](C)[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001265408650 1323137326 /nfs/dbraw/zinc/13/73/26/1323137326.db2.gz PUEZYOPYLQZWNN-TVFCKZIOSA-N 2 2 342.487 2.475 10 30 EEEELP C=CCCCCC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001265546873 1323215121 /nfs/dbraw/zinc/21/51/21/1323215121.db2.gz ZLEWTNVFQPERHR-YESZJQIVSA-N 2 2 330.476 2.429 10 30 EEEELP C=CCCC[N@@H+](C)C1CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC001283317634 1326005627 /nfs/dbraw/zinc/00/56/27/1326005627.db2.gz QUOZPOWFAXEFAC-MRXNPFEDSA-N 2 2 330.476 2.335 10 30 EEEELP C=CCCC[N@H+](C)C1CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC001283317634 1326005628 /nfs/dbraw/zinc/00/56/28/1326005628.db2.gz QUOZPOWFAXEFAC-MRXNPFEDSA-N 2 2 330.476 2.335 10 30 EEEELP C=C(C)CC[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC001283665012 1326190734 /nfs/dbraw/zinc/19/07/34/1326190734.db2.gz HUQWNEOHRAHYFU-WMZOPIPTSA-N 2 2 337.508 2.033 10 30 EEEELP C=C(C)CC[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC001283665012 1326190737 /nfs/dbraw/zinc/19/07/37/1326190737.db2.gz HUQWNEOHRAHYFU-WMZOPIPTSA-N 2 2 337.508 2.033 10 30 EEEELP C#CC[N@H+]1CCC[C@H](NC(=O)[C@H]2CC[C@@H](Nc3cccc[nH+]3)CC2)C1 ZINC001303558939 1331359775 /nfs/dbraw/zinc/35/97/75/1331359775.db2.gz PKLGTHWUZCSNOA-KSZLIROESA-N 2 2 340.471 2.266 10 30 EEEELP C#CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CC[C@@H](Nc3cccc[nH+]3)CC2)C1 ZINC001303558939 1331359777 /nfs/dbraw/zinc/35/97/77/1331359777.db2.gz PKLGTHWUZCSNOA-KSZLIROESA-N 2 2 340.471 2.266 10 30 EEEELP C[N@@H+](CC#Cc1ccccc1Cl)CCNC(=O)[C@@H]1CCCC[NH+]1C ZINC001317457591 1332250848 /nfs/dbraw/zinc/25/08/48/1332250848.db2.gz ZQUUPLLMEQYIGN-SFHVURJKSA-N 2 2 347.890 2.224 10 30 EEEELP C[N@H+](CC#Cc1ccccc1Cl)CCNC(=O)[C@@H]1CCCC[NH+]1C ZINC001317457591 1332250851 /nfs/dbraw/zinc/25/08/51/1332250851.db2.gz ZQUUPLLMEQYIGN-SFHVURJKSA-N 2 2 347.890 2.224 10 30 EEEELP C[NH+](CC#Cc1ccccc1Cl)CCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001317457591 1332250853 /nfs/dbraw/zinc/25/08/53/1332250853.db2.gz ZQUUPLLMEQYIGN-SFHVURJKSA-N 2 2 347.890 2.224 10 30 EEEELP C[NH+](CC#Cc1ccccc1Cl)CCNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001317457591 1332250856 /nfs/dbraw/zinc/25/08/56/1332250856.db2.gz ZQUUPLLMEQYIGN-SFHVURJKSA-N 2 2 347.890 2.224 10 30 EEEELP C=CCCCCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001318337867 1332512993 /nfs/dbraw/zinc/51/29/93/1332512993.db2.gz KDPCZFYBOWDXCY-IAGOWNOFSA-N 2 2 330.476 2.382 10 30 EEEELP C=CCCCCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001318337867 1332513001 /nfs/dbraw/zinc/51/30/01/1332513001.db2.gz KDPCZFYBOWDXCY-IAGOWNOFSA-N 2 2 330.476 2.382 10 30 EEEELP C=C(C)C[NH2+]Cc1ccc(CNC(=O)[C@H]2CCc3[nH+]ccn3C2)cc1 ZINC001318995594 1332634452 /nfs/dbraw/zinc/63/44/52/1332634452.db2.gz DLPQCZULUHJMMJ-SFHVURJKSA-N 2 2 338.455 2.428 10 30 EEEELP C=CC[N@H+](CC1CC1)C1CCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC001323734074 1333527335 /nfs/dbraw/zinc/52/73/35/1333527335.db2.gz UZZIIXJOBYAPMF-KRWDZBQOSA-N 2 2 342.487 2.335 10 30 EEEELP C=CC[N@@H+](CC1CC1)C1CCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC001323734074 1333527338 /nfs/dbraw/zinc/52/73/38/1333527338.db2.gz UZZIIXJOBYAPMF-KRWDZBQOSA-N 2 2 342.487 2.335 10 30 EEEELP C=C[C@@H](C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)c1ccccc1 ZINC001351206168 1337795615 /nfs/dbraw/zinc/79/56/15/1337795615.db2.gz TZVDSSOVJOGDGT-LJQANCHMSA-N 2 2 329.488 2.441 10 30 EEEELP C=C[C@@H](C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)c1ccccc1 ZINC001351206168 1337795619 /nfs/dbraw/zinc/79/56/19/1337795619.db2.gz TZVDSSOVJOGDGT-LJQANCHMSA-N 2 2 329.488 2.441 10 30 EEEELP C[C@H]1C[N@H+](Cc2ccccn2)CCC1=NNCCCn1cc[nH+]c1 ZINC000848417520 1338699928 /nfs/dbraw/zinc/69/99/28/1338699928.db2.gz ARGXUGZRXYLQMU-INIZCTEOSA-N 2 2 326.448 2.156 10 30 EEEELP C[C@H]1C[N@@H+](Cc2ccccn2)CCC1=NNCCCn1cc[nH+]c1 ZINC000848417520 1338699931 /nfs/dbraw/zinc/69/99/31/1338699931.db2.gz ARGXUGZRXYLQMU-INIZCTEOSA-N 2 2 326.448 2.156 10 30 EEEELP C=C(C)Cn1c(C[NH+]2CCCC2)nnc1N1C[C@H](C)[N@H+](CC)C[C@H]1C ZINC001355966770 1338775670 /nfs/dbraw/zinc/77/56/70/1338775670.db2.gz BLKAJZCQTCISDH-DLBZAZTESA-N 2 2 346.523 2.369 10 30 EEEELP C=C(C)Cn1c(C[NH+]2CCCC2)nnc1N1C[C@H](C)[N@@H+](CC)C[C@H]1C ZINC001355966770 1338775675 /nfs/dbraw/zinc/77/56/75/1338775675.db2.gz BLKAJZCQTCISDH-DLBZAZTESA-N 2 2 346.523 2.369 10 30 EEEELP C[C@H](C(=O)NCC[N@H+](C)CC#Cc1ccccc1)[NH+]1CCCCCC1 ZINC001567307236 1342737198 /nfs/dbraw/zinc/73/71/98/1342737198.db2.gz SJKKBSNWMUBGRX-LJQANCHMSA-N 2 2 341.499 2.351 10 30 EEEELP C[C@H](C(=O)NCC[N@@H+](C)CC#Cc1ccccc1)[NH+]1CCCCCC1 ZINC001567307236 1342737202 /nfs/dbraw/zinc/73/72/02/1342737202.db2.gz SJKKBSNWMUBGRX-LJQANCHMSA-N 2 2 341.499 2.351 10 30 EEEELP C=C(C)CC[N@@H+](C)C1CCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC001676056674 1357097730 /nfs/dbraw/zinc/09/77/30/1357097730.db2.gz CFBYPVLLVHLACR-MRXNPFEDSA-N 2 2 330.476 2.335 10 30 EEEELP C=C(C)CC[N@H+](C)C1CCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC001676056674 1357097734 /nfs/dbraw/zinc/09/77/34/1357097734.db2.gz CFBYPVLLVHLACR-MRXNPFEDSA-N 2 2 330.476 2.335 10 30 EEEELP C=CCC[C@@H](C)[N@H+](CCNC(=O)[C@H]1CCn2c[nH+]cc2C1)C1CC1 ZINC001663735611 1355025032 /nfs/dbraw/zinc/02/50/32/1355025032.db2.gz SQQGFRRWLSSCFP-CVEARBPZSA-N 2 2 330.476 2.381 10 30 EEEELP C=CCC[C@@H](C)[N@@H+](CCNC(=O)[C@H]1CCn2c[nH+]cc2C1)C1CC1 ZINC001663735611 1355025037 /nfs/dbraw/zinc/02/50/37/1355025037.db2.gz SQQGFRRWLSSCFP-CVEARBPZSA-N 2 2 330.476 2.381 10 30 EEEELP C=CCCC[N@@H+](C)C[C@H]1CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001664817319 1355234487 /nfs/dbraw/zinc/23/44/87/1355234487.db2.gz FQHHGOMRPFVZFC-SJORKVTESA-N 2 2 330.476 2.192 10 30 EEEELP C=CCCC[N@H+](C)C[C@H]1CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001664817319 1355234492 /nfs/dbraw/zinc/23/44/92/1355234492.db2.gz FQHHGOMRPFVZFC-SJORKVTESA-N 2 2 330.476 2.192 10 30 EEEELP C=CCC[NH+]1CCC(CCNC(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC001666370229 1355518856 /nfs/dbraw/zinc/51/88/56/1355518856.db2.gz AAOPZYZBHXYWRU-QGZVFWFLSA-N 2 2 330.476 2.240 10 30 EEEELP C=C(C)C[NH2+]CC[C@H]1CCCCN1C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001667268164 1355693810 /nfs/dbraw/zinc/69/38/10/1355693810.db2.gz SZRCTVPTIVSHOD-DLBZAZTESA-N 2 2 330.476 2.382 10 30 EEEELP C#CC[NH2+]CC[C@H]1CCCCN1C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001667273481 1355696009 /nfs/dbraw/zinc/69/60/09/1355696009.db2.gz QTBOVXOZPGAASV-LJQANCHMSA-N 2 2 336.439 2.480 10 30 EEEELP CC#CC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001672376725 1356511257 /nfs/dbraw/zinc/51/12/57/1356511257.db2.gz JSQIGZFCXHNYDX-BRWVUGGUSA-N 2 2 330.476 2.124 10 30 EEEELP CC#CC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001672376725 1356511258 /nfs/dbraw/zinc/51/12/58/1356511258.db2.gz JSQIGZFCXHNYDX-BRWVUGGUSA-N 2 2 330.476 2.124 10 30 EEEELP C=C(Cl)C[NH2+]CC[C@H]1CCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001672816058 1356590815 /nfs/dbraw/zinc/59/08/15/1356590815.db2.gz MFLNOBZFRLJLDP-GJZGRUSLSA-N 2 2 336.867 2.026 10 30 EEEELP COCC#CC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001699943227 1405592027 /nfs/dbraw/zinc/59/20/27/1405592027.db2.gz GYNGIWWBFXCEDU-FUHWJXTLSA-N 2 2 343.471 2.097 10 30 EEEELP C=C(C)C[NH2+][C@@H]1CN(C(=O)Cc2cn3cccc(C)c3[nH+]2)C[C@@H]1C ZINC000939317452 776306655 /nfs/dbraw/zinc/30/66/55/776306655.db2.gz XBKMWCBKVRNLGI-DOTOQJQBSA-N 2 2 326.444 2.198 10 30 EEEELP C=CCC[N@H+]1CC[C@@H](NC(=O)Cc2c[nH+]ccc2OC)C(C)(C)C1 ZINC000940835436 779382265 /nfs/dbraw/zinc/38/22/65/779382265.db2.gz CILABQCSDXKOJM-QGZVFWFLSA-N 2 2 331.460 2.426 10 30 EEEELP C=CCC[N@@H+]1CC[C@@H](NC(=O)Cc2c[nH+]ccc2OC)C(C)(C)C1 ZINC000940835436 779382268 /nfs/dbraw/zinc/38/22/68/779382268.db2.gz CILABQCSDXKOJM-QGZVFWFLSA-N 2 2 331.460 2.426 10 30 EEEELP C=C(Br)C[NH2+][C@@H](C)[C@@H](C)NC(=O)CCCn1cc[nH+]c1 ZINC001440852256 1094111261 /nfs/dbraw/zinc/11/12/61/1094111261.db2.gz OZSRMFXAROKCAU-QWHCGFSZSA-N 2 2 343.269 2.055 10 30 EEEELP CC[C@@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2C#N)C1)[NH+](CC)CC ZINC001441111392 1094425804 /nfs/dbraw/zinc/42/58/04/1094425804.db2.gz ZGSMQDNTYVLWJA-OALUTQOASA-N 2 2 342.487 2.369 10 30 EEEELP CC[C@@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2C#N)C1)[NH+](CC)CC ZINC001441111392 1094425810 /nfs/dbraw/zinc/42/58/10/1094425810.db2.gz ZGSMQDNTYVLWJA-OALUTQOASA-N 2 2 342.487 2.369 10 30 EEEELP CCC[N@H+](CCNC(=O)Cn1c[nH+]cc1C)Cc1ccccc1C#N ZINC001493304276 1107900621 /nfs/dbraw/zinc/90/06/21/1107900621.db2.gz KDISLLJIEDJIHF-UHFFFAOYSA-N 2 2 339.443 2.092 10 30 EEEELP CCC[N@@H+](CCNC(=O)Cn1c[nH+]cc1C)Cc1ccccc1C#N ZINC001493304276 1107900624 /nfs/dbraw/zinc/90/06/24/1107900624.db2.gz KDISLLJIEDJIHF-UHFFFAOYSA-N 2 2 339.443 2.092 10 30 EEEELP N#Cc1cccc(C[NH2+]C[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C2CC2)c1 ZINC001498773725 1108074366 /nfs/dbraw/zinc/07/43/66/1108074366.db2.gz JPVUQZOQISBEIP-KURKYZTESA-N 2 2 349.438 2.069 10 30 EEEELP N#Cc1cccc(C[NH2+]C[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C2CC2)c1 ZINC001498773725 1108074380 /nfs/dbraw/zinc/07/43/80/1108074380.db2.gz JPVUQZOQISBEIP-KURKYZTESA-N 2 2 349.438 2.069 10 30 EEEELP C=CCCC[N@H+]1CCC[C@@](CO)(NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001501331302 1113303246 /nfs/dbraw/zinc/30/32/46/1113303246.db2.gz HQRMWBHPOBWTAB-LJQANCHMSA-N 2 2 342.443 2.086 10 30 EEEELP C=CCCC[N@@H+]1CCC[C@@](CO)(NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001501331302 1113303250 /nfs/dbraw/zinc/30/32/50/1113303250.db2.gz HQRMWBHPOBWTAB-LJQANCHMSA-N 2 2 342.443 2.086 10 30 EEEELP C=CCC[C@H](C)[NH+]1CC2(C1)CN(C(=O)C[C@@H](C)n1cc[nH+]c1)CCO2 ZINC001502419943 1113675846 /nfs/dbraw/zinc/67/58/46/1113675846.db2.gz IUAXLHKLIXQDKV-DLBZAZTESA-N 2 2 346.475 2.102 10 30 EEEELP C=CC[N@@H+](CC)CC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001505399652 1113937185 /nfs/dbraw/zinc/93/71/85/1113937185.db2.gz UWWYDHVRGQVMFI-IAGOWNOFSA-N 2 2 330.476 2.270 10 30 EEEELP C=CC[N@H+](CC)CC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001505399652 1113937186 /nfs/dbraw/zinc/93/71/86/1113937186.db2.gz UWWYDHVRGQVMFI-IAGOWNOFSA-N 2 2 330.476 2.270 10 30 EEEELP C=C(Cl)C[NH+]1C[C@H](NC(=O)CC[C@H]2CCC[N@H+]2C)C(C)(C)C1 ZINC001506742648 1114853966 /nfs/dbraw/zinc/85/39/66/1114853966.db2.gz REBPPUMERKKUTA-CABCVRRESA-N 2 2 327.900 2.440 10 30 EEEELP C=C(Cl)C[NH+]1C[C@H](NC(=O)CC[C@H]2CCC[N@@H+]2C)C(C)(C)C1 ZINC001506742648 1114853969 /nfs/dbraw/zinc/85/39/69/1114853969.db2.gz REBPPUMERKKUTA-CABCVRRESA-N 2 2 327.900 2.440 10 30 EEEELP C=C(Cl)C[N@H+]1C[C@H](NC(=O)CC[C@H]2CCC[NH+]2C)C(C)(C)C1 ZINC001506742648 1114853972 /nfs/dbraw/zinc/85/39/72/1114853972.db2.gz REBPPUMERKKUTA-CABCVRRESA-N 2 2 327.900 2.440 10 30 EEEELP C=C(Cl)C[N@@H+]1C[C@H](NC(=O)CC[C@H]2CCC[NH+]2C)C(C)(C)C1 ZINC001506742648 1114853974 /nfs/dbraw/zinc/85/39/74/1114853974.db2.gz REBPPUMERKKUTA-CABCVRRESA-N 2 2 327.900 2.440 10 30 EEEELP C=C(C)CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)CCn3cc[nH+]c3)C[C@H]21 ZINC001507362523 1115223007 /nfs/dbraw/zinc/22/30/07/1115223007.db2.gz RFDBYQZKYZJSMR-KZNAEPCWSA-N 2 2 330.476 2.456 10 30 EEEELP C[C@H](CC[NH2+]Cc1ccccc1C#N)NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001568682905 1124694901 /nfs/dbraw/zinc/69/49/01/1124694901.db2.gz RIMFZPXBEPCGLT-HZPDHXFCSA-N 2 2 339.443 2.390 10 30 EEEELP N#Cc1ccc(C[NH+]2CCC([NH2+]C3CCC(C(N)=O)CC3)CC2)cc1 ZINC000344319876 161217319 /nfs/dbraw/zinc/21/73/19/161217319.db2.gz HUCOXLUAEGSPOO-UHFFFAOYSA-N 2 2 340.471 2.156 10 30 EEEELP C[C@H]1C[C@@H]([NH+](C)CC(=O)N(CCC#N)c2ccccc2)CC[N@@H+]1C ZINC000123026067 463310307 /nfs/dbraw/zinc/31/03/07/463310307.db2.gz CMBZJVSTHVKCBN-WMZOPIPTSA-N 2 2 328.460 2.348 10 30 EEEELP C[C@H]1C[C@@H]([NH+](C)CC(=O)N(CCC#N)c2ccccc2)CC[N@H+]1C ZINC000123026067 463310311 /nfs/dbraw/zinc/31/03/11/463310311.db2.gz CMBZJVSTHVKCBN-WMZOPIPTSA-N 2 2 328.460 2.348 10 30 EEEELP C[C@H]1C[C@@H]([N@H+](C)CC(=O)N(CCC#N)c2ccccc2)CC[NH+]1C ZINC000123026067 463310314 /nfs/dbraw/zinc/31/03/14/463310314.db2.gz CMBZJVSTHVKCBN-WMZOPIPTSA-N 2 2 328.460 2.348 10 30 EEEELP C[C@H]1C[C@@H]([N@@H+](C)CC(=O)N(CCC#N)c2ccccc2)CC[NH+]1C ZINC000123026067 463310319 /nfs/dbraw/zinc/31/03/19/463310319.db2.gz CMBZJVSTHVKCBN-WMZOPIPTSA-N 2 2 328.460 2.348 10 30 EEEELP C[C@@H](c1cccc(NC(=O)[C@@H]([NH3+])CCCCC#N)c1)[NH+]1CCOCC1 ZINC000594439748 468588213 /nfs/dbraw/zinc/58/82/13/468588213.db2.gz YXLCLESUUBCWTA-YJBOKZPZSA-N 2 2 344.459 2.430 10 30 EEEELP N#CCCn1cc(C[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)c(-c2ccncc2)n1 ZINC000564418068 469253219 /nfs/dbraw/zinc/25/32/19/469253219.db2.gz GONKQLYGRBLPKI-MRXNPFEDSA-N 2 2 347.426 2.229 10 30 EEEELP N#CCCn1cc(C[NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)c(-c2ccncc2)n1 ZINC000564418068 469253224 /nfs/dbraw/zinc/25/32/24/469253224.db2.gz GONKQLYGRBLPKI-MRXNPFEDSA-N 2 2 347.426 2.229 10 30 EEEELP C#CC[NH2+][C@@H](CNC(=O)c1ccn2c(C)c[nH+]c2c1)c1ccccc1 ZINC001267362538 1178841453 /nfs/dbraw/zinc/84/14/53/1178841453.db2.gz SALIYAHQZHFOTC-SFHVURJKSA-N 2 2 332.407 2.337 10 30 EEEELP C=CCC[C@H](C)[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001691449876 1178843056 /nfs/dbraw/zinc/84/30/56/1178843056.db2.gz AFFHTCNULRFYME-MWDXBVQZSA-N 2 2 330.476 2.285 10 30 EEEELP C#CC[NH2+][C@@H](CNC(=O)C[C@H](C)n1cc[nH+]c1CC)c1ccccc1 ZINC001481367809 1181141236 /nfs/dbraw/zinc/14/12/36/1181141236.db2.gz ZKRBTBAAEKNKQZ-WMZOPIPTSA-N 2 2 338.455 2.477 10 30 EEEELP C=CCC[C@H](C)[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001268944048 1183840751 /nfs/dbraw/zinc/84/07/51/1183840751.db2.gz HUIFQCNNMMIXJP-SZMVWBNQSA-N 2 2 342.487 2.402 10 30 EEEELP C=CCC[C@H](C)[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001268944048 1183840752 /nfs/dbraw/zinc/84/07/52/1183840752.db2.gz HUIFQCNNMMIXJP-SZMVWBNQSA-N 2 2 342.487 2.402 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2.430 10 30 EEEELP C=CC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC001320168621 1332841911 /nfs/dbraw/zinc/84/19/11/1332841911.db2.gz DXPYIKVRQUYZNK-RDJZCZTQSA-N 2 2 326.444 2.246 10 30 EEEELP C=CCC[NH2+]C[C@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1C(F)(F)F ZINC001332459577 1335829073 /nfs/dbraw/zinc/82/90/73/1335829073.db2.gz MRLFENKOYUGUHY-UONOGXRCSA-N 2 2 344.381 2.076 10 30 EEEELP C=CCOCC[NH2+][C@H]1CN(C(=O)c2c(C)cc(C)[nH+]c2C)C[C@@H]1C ZINC001502731012 1342227264 /nfs/dbraw/zinc/22/72/64/1342227264.db2.gz HLFBSRQJDJAGTA-YOEHRIQHSA-N 2 2 331.460 2.260 10 30 EEEELP C=CCCC[NH+]1CC[C@](C)(NC(=O)c2cc([C@H]3CCC[N@H+]3C)n[nH]2)C1 ZINC001569639350 1342914256 /nfs/dbraw/zinc/91/42/56/1342914256.db2.gz SBSPZEXCVRVDIS-MJGOQNOKSA-N 2 2 345.491 2.337 10 30 EEEELP C=CCCC[NH+]1CC[C@](C)(NC(=O)c2cc([C@H]3CCC[N@@H+]3C)n[nH]2)C1 ZINC001569639350 1342914260 /nfs/dbraw/zinc/91/42/60/1342914260.db2.gz SBSPZEXCVRVDIS-MJGOQNOKSA-N 2 2 345.491 2.337 10 30 EEEELP C=CCCC[N@H+]1CC[C@](C)(NC(=O)c2cc([C@H]3CCC[NH+]3C)n[nH]2)C1 ZINC001569639350 1342914262 /nfs/dbraw/zinc/91/42/62/1342914262.db2.gz SBSPZEXCVRVDIS-MJGOQNOKSA-N 2 2 345.491 2.337 10 30 EEEELP C=CCCC[N@@H+]1CC[C@](C)(NC(=O)c2cc([C@H]3CCC[NH+]3C)n[nH]2)C1 ZINC001569639350 1342914264 /nfs/dbraw/zinc/91/42/64/1342914264.db2.gz SBSPZEXCVRVDIS-MJGOQNOKSA-N 2 2 345.491 2.337 10 30 EEEELP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)c1cccc(C#CCO)c1 ZINC001633803241 1352617613 /nfs/dbraw/zinc/61/76/13/1352617613.db2.gz VQYWUOYCBOQXMI-UHFFFAOYSA-N 2 2 332.363 2.172 10 30 EEEELP C#CC[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001656627288 1354253629 /nfs/dbraw/zinc/25/36/29/1354253629.db2.gz FQIQUDUORRDZDR-JFIYKMOQSA-N 2 2 330.476 2.218 10 30 EEEELP C#CC[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001656627288 1354253632 /nfs/dbraw/zinc/25/36/32/1354253632.db2.gz FQIQUDUORRDZDR-JFIYKMOQSA-N 2 2 330.476 2.218 10 30 EEEELP C=CCCC[NH2+]C[C@H]1CN(C(=O)Cc2c[nH+]ccc2OC)C[C@H]1C ZINC001672286525 1356493847 /nfs/dbraw/zinc/49/38/47/1356493847.db2.gz IWGKALGTLJMMEH-WBVHZDCISA-N 2 2 331.460 2.283 10 30 EEEELP C=C(C)CC[N@@H+]1CC[C@H](CCNC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001691892359 1404956303 /nfs/dbraw/zinc/95/63/03/1404956303.db2.gz BOAQPSCVAZISPZ-IRXDYDNUSA-N 2 2 330.476 2.240 10 30 EEEELP C=C(C)CC[N@H+]1CC[C@H](CCNC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001691892359 1404956308 /nfs/dbraw/zinc/95/63/08/1404956308.db2.gz BOAQPSCVAZISPZ-IRXDYDNUSA-N 2 2 330.476 2.240 10 30 EEEELP C#CC[NH2+]CC[C@@H]1CCCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001698677139 1405015185 /nfs/dbraw/zinc/01/51/85/1405015185.db2.gz MXTWMKDPESXWOH-KRWDZBQOSA-N 2 2 336.439 2.337 10 30 EEEELP C=CCCC[N@H+]1CC[C@@H]2CN(C(=O)CCc3[nH+]ccn3C)CC[C@H]21 ZINC001496861884 1101626700 /nfs/dbraw/zinc/62/67/00/1101626700.db2.gz UZIUEIFAMYSKJC-IAGOWNOFSA-N 2 2 330.476 2.242 10 30 EEEELP C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)CCc3[nH+]ccn3C)CC[C@H]21 ZINC001496861884 1101626705 /nfs/dbraw/zinc/62/67/05/1101626705.db2.gz UZIUEIFAMYSKJC-IAGOWNOFSA-N 2 2 330.476 2.242 10 30 EEEELP C#CCC[N@@H+](C)CC1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC001494199540 1103686208 /nfs/dbraw/zinc/68/62/08/1103686208.db2.gz YZOFDMOBSPZAPP-UHFFFAOYSA-N 2 2 330.476 2.120 10 30 EEEELP C#CCC[N@H+](C)CC1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC001494199540 1103686210 /nfs/dbraw/zinc/68/62/10/1103686210.db2.gz YZOFDMOBSPZAPP-UHFFFAOYSA-N 2 2 330.476 2.120 10 30 EEEELP C[C@@H](CN(C)C(=O)Cn1cc[nH+]c1)[NH2+]CC#Cc1ccccc1Cl ZINC001507163609 1115142988 /nfs/dbraw/zinc/14/29/88/1115142988.db2.gz MPKXAHSBQYAHKK-HNNXBMFYSA-N 2 2 344.846 2.025 10 30 EEEELP C#CCC[NH2+]CC[C@@H]1CCCCN1C(=O)Cc1c[nH+]ccc1OC ZINC001568386595 1124456035 /nfs/dbraw/zinc/45/60/35/1124456035.db2.gz FOMWCTPXUJSLTE-KRWDZBQOSA-N 2 2 329.444 2.017 10 30 EEEELP C[C@@H](CC[NH2+]CC#Cc1ccccc1)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001568643456 1124656036 /nfs/dbraw/zinc/65/60/36/1124656036.db2.gz DDBXHSRFUCYQBZ-CGTJXYLNSA-N 2 2 336.439 2.049 10 30 EEEELP C[C@@H](CC[NH2+]CC#Cc1ccccc1)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001568643456 1124656045 /nfs/dbraw/zinc/65/60/45/1124656045.db2.gz DDBXHSRFUCYQBZ-CGTJXYLNSA-N 2 2 336.439 2.049 10 30 EEEELP CC(C)CO[C@@H]1CC[NH+](CC#CC[N@@H+]2CC[C@H](OCC(C)C)C2)C1 ZINC000341879628 465272796 /nfs/dbraw/zinc/27/27/96/465272796.db2.gz BYNWGCKBNWAFND-BGYRXZFFSA-N 2 2 336.520 2.484 10 30 EEEELP CC(C)CO[C@@H]1CC[N@@H+](CC#CC[NH+]2CC[C@H](OCC(C)C)C2)C1 ZINC000341879628 465272802 /nfs/dbraw/zinc/27/28/02/465272802.db2.gz BYNWGCKBNWAFND-BGYRXZFFSA-N 2 2 336.520 2.484 10 30 EEEELP CC(C)CO[C@@H]1CC[N@H+](CC#CC[NH+]2CC[C@H](OCC(C)C)C2)C1 ZINC000341879628 465272810 /nfs/dbraw/zinc/27/28/10/465272810.db2.gz BYNWGCKBNWAFND-BGYRXZFFSA-N 2 2 336.520 2.484 10 30 EEEELP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)NCc2[nH+]ccn2CC(F)(F)F)C1 ZINC000331185235 465972037 /nfs/dbraw/zinc/97/20/37/465972037.db2.gz YMFIANKETUEOLI-VXGBXAGGSA-N 2 2 347.385 2.322 10 30 EEEELP C[NH+]1CCC([N@@H+]2CC[C@@H](Nc3ccc(C#N)c([N+](=O)[O-])c3)C2)CC1 ZINC000589572664 468163396 /nfs/dbraw/zinc/16/33/96/468163396.db2.gz JVBLVEJANXEKSL-OAHLLOKOSA-N 2 2 329.404 2.047 10 30 EEEELP C[NH+]1CCC([N@H+]2CC[C@@H](Nc3ccc(C#N)c([N+](=O)[O-])c3)C2)CC1 ZINC000589572664 468163397 /nfs/dbraw/zinc/16/33/97/468163397.db2.gz JVBLVEJANXEKSL-OAHLLOKOSA-N 2 2 329.404 2.047 10 30 EEEELP C[C@H](CC#N)C(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000597438155 468555220 /nfs/dbraw/zinc/55/52/20/468555220.db2.gz QPCVSPDVAGUHJY-NJAFHUGGSA-N 2 2 334.508 2.332 10 30 EEEELP C[C@H](CC#N)C(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000597438155 468555222 /nfs/dbraw/zinc/55/52/22/468555222.db2.gz QPCVSPDVAGUHJY-NJAFHUGGSA-N 2 2 334.508 2.332 10 30 EEEELP C[C@H](C[NH2+]C[C@@H](O)CC1(C#N)CCOCC1)[N@H+](C)Cc1ccccc1 ZINC000600724153 468636074 /nfs/dbraw/zinc/63/60/74/468636074.db2.gz FUDDSDDSFTWNGA-MJGOQNOKSA-N 2 2 345.487 2.168 10 30 EEEELP C[C@H](C[NH2+]C[C@@H](O)CC1(C#N)CCOCC1)[N@@H+](C)Cc1ccccc1 ZINC000600724153 468636077 /nfs/dbraw/zinc/63/60/77/468636077.db2.gz FUDDSDDSFTWNGA-MJGOQNOKSA-N 2 2 345.487 2.168 10 30 EEEELP C=CC[NH+](CC=C)[C@@H](CNC(=O)Nc1cc[nH+]cc1N(C)C)C(C)C ZINC000670081407 471672738 /nfs/dbraw/zinc/67/27/38/471672738.db2.gz PWYUTPNXMMUXBE-KRWDZBQOSA-N 2 2 345.491 2.390 10 30 EEEELP C=CC[C@]1(C(=O)N(C)Cc2[nH+]ccn2CC(F)(F)F)CCC[NH2+]1 ZINC000662712810 472218153 /nfs/dbraw/zinc/21/81/53/472218153.db2.gz KYKZOTCNJHXPMJ-CQSZACIVSA-N 2 2 330.354 2.102 10 30 EEEELP C[C@H](CC[NH2+]CCS(=O)(=O)c1cccc(C#N)c1)[NH+]1CCCCC1 ZINC000568385231 485568054 /nfs/dbraw/zinc/56/80/54/485568054.db2.gz VDHMSEYMCLQDIA-MRXNPFEDSA-N 2 2 349.500 2.186 10 30 EEEELP C#CCOc1ccc(C[NH+]2CCC([N@H+]3CCO[C@H](C)C3)CC2)cc1 ZINC000092079517 527099566 /nfs/dbraw/zinc/09/95/66/527099566.db2.gz QDFRXJMMTUERKN-QGZVFWFLSA-N 2 2 328.456 2.384 10 30 EEEELP C#CCOc1ccc(C[NH+]2CCC([N@@H+]3CCO[C@H](C)C3)CC2)cc1 ZINC000092079517 527099568 /nfs/dbraw/zinc/09/95/68/527099568.db2.gz QDFRXJMMTUERKN-QGZVFWFLSA-N 2 2 328.456 2.384 10 30 EEEELP C=C(C)CC[N@H+](CCNC(=O)[C@H]1COCC[NH+]1C1CCCC1)C1CC1 ZINC001691221715 1177725783 /nfs/dbraw/zinc/72/57/83/1177725783.db2.gz RAKNYZBPUFNGNB-LJQANCHMSA-N 2 2 349.519 2.177 10 30 EEEELP C=C(C)CC[N@@H+](CCNC(=O)[C@H]1COCC[NH+]1C1CCCC1)C1CC1 ZINC001691221715 1177725787 /nfs/dbraw/zinc/72/57/87/1177725787.db2.gz RAKNYZBPUFNGNB-LJQANCHMSA-N 2 2 349.519 2.177 10 30 EEEELP C=C(C)CC[NH+](CCNC(=O)[C@H]1COCC[N@@H+]1C1CCCC1)C1CC1 ZINC001691221715 1177725795 /nfs/dbraw/zinc/72/57/95/1177725795.db2.gz RAKNYZBPUFNGNB-LJQANCHMSA-N 2 2 349.519 2.177 10 30 EEEELP C=C(C)CC[NH+](CCNC(=O)[C@H]1COCC[N@H+]1C1CCCC1)C1CC1 ZINC001691221715 1177725800 /nfs/dbraw/zinc/72/58/00/1177725800.db2.gz RAKNYZBPUFNGNB-LJQANCHMSA-N 2 2 349.519 2.177 10 30 EEEELP CC(C)[N@H+](CCCNC(=O)Cc1[nH]cc[nH+]1)Cc1ccc(C#N)s1 ZINC001481355360 1181107911 /nfs/dbraw/zinc/10/79/11/1181107911.db2.gz FBGWYQGUBTUXLN-UHFFFAOYSA-N 2 2 345.472 2.302 10 30 EEEELP CC(C)[N@@H+](CCCNC(=O)Cc1[nH]cc[nH+]1)Cc1ccc(C#N)s1 ZINC001481355360 1181107915 /nfs/dbraw/zinc/10/79/15/1181107915.db2.gz FBGWYQGUBTUXLN-UHFFFAOYSA-N 2 2 345.472 2.302 10 30 EEEELP CN(C(=O)CC[NH+](C)C)[C@@H]1CC[N@H+](CC#Cc2ccccc2Cl)C1 ZINC001269269169 1184121156 /nfs/dbraw/zinc/12/11/56/1184121156.db2.gz UYWPNDVIKBSHFQ-QGZVFWFLSA-N 2 2 347.890 2.176 10 30 EEEELP CN(C(=O)CC[NH+](C)C)[C@@H]1CC[N@@H+](CC#Cc2ccccc2Cl)C1 ZINC001269269169 1184121159 /nfs/dbraw/zinc/12/11/59/1184121159.db2.gz UYWPNDVIKBSHFQ-QGZVFWFLSA-N 2 2 347.890 2.176 10 30 EEEELP CC(C)C[C@@H](C[NH2+]Cc1ccccc1C#N)NC(=O)Cn1cc[nH+]c1 ZINC001482401095 1185615587 /nfs/dbraw/zinc/61/55/87/1185615587.db2.gz SMHOQWLNKWQAFW-SFHVURJKSA-N 2 2 339.443 2.075 10 30 EEEELP C=C(Cl)C[NH2+]C[C@H](CCCC)NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001409816691 1190648122 /nfs/dbraw/zinc/64/81/22/1190648122.db2.gz JYYXGULNYOVAIJ-CABCVRRESA-N 2 2 338.883 2.463 10 30 EEEELP C#CCN(C(=O)Cc1c[nH+]cn1C)C1CC[NH+](CCCCC)CC1 ZINC001483988996 1191144230 /nfs/dbraw/zinc/14/42/30/1191144230.db2.gz SUPOYTFYYRVERU-UHFFFAOYSA-N 2 2 330.476 2.079 10 30 EEEELP C=CCCC[NH2+]CC[C@@H]1CCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001484526296 1191399032 /nfs/dbraw/zinc/39/90/32/1191399032.db2.gz DTGKNZRXJZIRJQ-SJORKVTESA-N 2 2 330.476 2.240 10 30 EEEELP C=CCCC[N@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)Cc3c[nH+]cn3C)C2)C1 ZINC001275183182 1205276406 /nfs/dbraw/zinc/27/64/06/1205276406.db2.gz CPPCTJXZDAIGKU-QZTJIDSGSA-N 2 2 344.503 2.489 10 30 EEEELP C=CCCC[N@@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)Cc3c[nH+]cn3C)C2)C1 ZINC001275183182 1205276407 /nfs/dbraw/zinc/27/64/07/1205276407.db2.gz CPPCTJXZDAIGKU-QZTJIDSGSA-N 2 2 344.503 2.489 10 30 EEEELP CCCCCCC[NH+]1CC2(C1)C[C@@H](NC(=O)Cn1c[nH+]cc1C)CO2 ZINC001273705416 1283708794 /nfs/dbraw/zinc/70/87/94/1283708794.db2.gz SRYNMONVDLTCAK-QGZVFWFLSA-N 2 2 348.491 2.121 10 30 EEEELP C=C(C)CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001277663423 1304121593 /nfs/dbraw/zinc/12/15/93/1304121593.db2.gz XMMXMQRTRFQVCW-AEFFLSMTSA-N 2 2 330.476 2.238 10 30 EEEELP C=CC[N@H+]1CCC[C@@H]2[C@H](NC(=O)CCc3c[nH+]cn3C)C(C)(C)[C@H]21 ZINC001264033641 1322593398 /nfs/dbraw/zinc/59/33/98/1322593398.db2.gz UTBKERGSVGJJOE-NJAFHUGGSA-N 2 2 330.476 2.144 10 30 EEEELP C=CC[N@@H+]1CCC[C@@H]2[C@H](NC(=O)CCc3c[nH+]cn3C)C(C)(C)[C@H]21 ZINC001264033641 1322593401 /nfs/dbraw/zinc/59/34/01/1322593401.db2.gz UTBKERGSVGJJOE-NJAFHUGGSA-N 2 2 330.476 2.144 10 30 EEEELP C#CCC[NH2+]CCc1ccc(CNC(=O)c2cccc3[nH+]ccn32)cc1 ZINC001317369121 1331395838 /nfs/dbraw/zinc/39/58/38/1331395838.db2.gz RXBQBCAWKYRYLC-UHFFFAOYSA-N 2 2 346.434 2.420 10 30 EEEELP C=CCCC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)Cc3[nH]c[nH+]c3C)C[C@H]21 ZINC001332146096 1335743675 /nfs/dbraw/zinc/74/36/75/1335743675.db2.gz LKMKRNYJVLEJQM-GVDBMIGSSA-N 2 2 330.476 2.444 10 30 EEEELP C#CC[NH2+]C1(CNC(=O)C2CCC2)CC[NH+](Cc2ccccc2)CC1 ZINC001333013505 1335947072 /nfs/dbraw/zinc/94/70/72/1335947072.db2.gz HXTBVRATZQCOMZ-UHFFFAOYSA-N 2 2 339.483 2.160 10 30 EEEELP C=C(C)Cn1c(C[NH+]2CCCC2)nnc1N1CC[N@H+](C)[C@@H](C(C)C)C1 ZINC001341751234 1337297691 /nfs/dbraw/zinc/29/76/91/1337297691.db2.gz YXKHIGACJGNPAM-QGZVFWFLSA-N 2 2 346.523 2.226 10 30 EEEELP C=C(C)Cn1c(C[NH+]2CCCC2)nnc1N1CC[N@@H+](C)[C@@H](C(C)C)C1 ZINC001341751234 1337297693 /nfs/dbraw/zinc/29/76/93/1337297693.db2.gz YXKHIGACJGNPAM-QGZVFWFLSA-N 2 2 346.523 2.226 10 30 EEEELP C=CCC[N@@H+](C)CC1CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC001664880171 1355250794 /nfs/dbraw/zinc/25/07/94/1355250794.db2.gz GPHKDMUOTDPULD-QGZVFWFLSA-N 2 2 330.476 2.192 10 30 EEEELP C=CCC[N@H+](C)CC1CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC001664880171 1355250797 /nfs/dbraw/zinc/25/07/97/1355250797.db2.gz GPHKDMUOTDPULD-QGZVFWFLSA-N 2 2 330.476 2.192 10 30 EEEELP C#CC[N@H+]1CCC[C@@H]1CCCNC(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001567254704 1342721824 /nfs/dbraw/zinc/72/18/24/1342721824.db2.gz PZYBIOGRUCPLTG-ZWKOTPCHSA-N 2 2 330.476 2.464 10 30 EEEELP C#CC[N@@H+]1CCC[C@@H]1CCCNC(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001567254704 1342721827 /nfs/dbraw/zinc/72/18/27/1342721827.db2.gz PZYBIOGRUCPLTG-ZWKOTPCHSA-N 2 2 330.476 2.464 10 30 EEEELP C=CCCC[NH2+]C[C@H]1C[C@H](NC(=O)c2cc([C@H]3CCC[N@H+]3C)n[nH]2)C1 ZINC001571118665 1343163409 /nfs/dbraw/zinc/16/34/09/1343163409.db2.gz WCUDYSBJORPVDK-IIDMSEBBSA-N 2 2 345.491 2.241 10 30 EEEELP C=CCCC[NH2+]C[C@H]1C[C@H](NC(=O)c2cc([C@H]3CCC[N@@H+]3C)n[nH]2)C1 ZINC001571118665 1343163415 /nfs/dbraw/zinc/16/34/15/1343163415.db2.gz WCUDYSBJORPVDK-IIDMSEBBSA-N 2 2 345.491 2.241 10 30 EEEELP C=C(C)C[NH2+][C@H](CNC(=O)[C@H]1CCc2c[nH+]cn2C1)c1ccccc1 ZINC001664583801 1355196738 /nfs/dbraw/zinc/19/67/38/1355196738.db2.gz VUDBHQUUWWKEJL-PKOBYXMFSA-N 2 2 338.455 2.469 10 30 EEEELP C[C@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)[NH+](C)CC#Cc1ccc(F)cc1 ZINC001674949437 1356915657 /nfs/dbraw/zinc/91/56/57/1356915657.db2.gz TYCCMWMWFLLBLE-VQIMIIECSA-N 2 2 345.462 2.098 10 30 EEEELP C[C@H](CNC(=O)[C@H]1CCCC[N@H+]1C)[NH+](C)CC#Cc1ccc(F)cc1 ZINC001674949437 1356915661 /nfs/dbraw/zinc/91/56/61/1356915661.db2.gz TYCCMWMWFLLBLE-VQIMIIECSA-N 2 2 345.462 2.098 10 30 EEEELP C[C@H](CNC(=O)[C@H]1CCCC[NH+]1C)[N@H+](C)CC#Cc1ccc(F)cc1 ZINC001674949437 1356915664 /nfs/dbraw/zinc/91/56/64/1356915664.db2.gz TYCCMWMWFLLBLE-VQIMIIECSA-N 2 2 345.462 2.098 10 30 EEEELP C[C@H](CNC(=O)[C@H]1CCCC[NH+]1C)[N@@H+](C)CC#Cc1ccc(F)cc1 ZINC001674949437 1356915668 /nfs/dbraw/zinc/91/56/68/1356915668.db2.gz TYCCMWMWFLLBLE-VQIMIIECSA-N 2 2 345.462 2.098 10 30 EEEELP C=CCCCCC[N@@H+]1CCO[C@]2(CCN(C(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC001675425932 1356978582 /nfs/dbraw/zinc/97/85/82/1356978582.db2.gz JCEVAIACQNLBQK-LJQANCHMSA-N 2 2 346.475 2.002 10 30 EEEELP C=CCCCCC[N@H+]1CCO[C@]2(CCN(C(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC001675425932 1356978584 /nfs/dbraw/zinc/97/85/84/1356978584.db2.gz JCEVAIACQNLBQK-LJQANCHMSA-N 2 2 346.475 2.002 10 30 EEEELP C#CCC[NH2+]C[C@@H]1CN(C(=O)c2c(C)cc(C)[nH+]c2C)C[C@H]1OCC ZINC001565949972 1125471906 /nfs/dbraw/zinc/47/19/06/1125471906.db2.gz AOGLVXKTBUFYAH-QZTJIDSGSA-N 2 2 343.471 2.097 10 30 EEEELP N#Cc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)CCCn3cc[nH+]c3)C2)s1 ZINC001441548662 1095274595 /nfs/dbraw/zinc/27/45/95/1095274595.db2.gz LAQLBUHRCMZXIM-OKILXGFUSA-N 2 2 343.456 2.033 10 30 EEEELP CC#CC[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001479595004 1098624207 /nfs/dbraw/zinc/62/42/07/1098624207.db2.gz IVDXMBJEDOGGJR-SJLPKXTDSA-N 2 2 330.476 2.363 10 30 EEEELP CC#CC[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001479595004 1098624215 /nfs/dbraw/zinc/62/42/15/1098624215.db2.gz IVDXMBJEDOGGJR-SJLPKXTDSA-N 2 2 330.476 2.363 10 30 EEEELP C=CCCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCc3[nH+]ccn3C2)[C@H]1CC ZINC001479636693 1098665042 /nfs/dbraw/zinc/66/50/42/1098665042.db2.gz HSTIHZZXZXGLJR-IXDOHACOSA-N 2 2 330.476 2.381 10 30 EEEELP C=CCCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCc3[nH+]ccn3C2)[C@H]1CC ZINC001479636693 1098665044 /nfs/dbraw/zinc/66/50/44/1098665044.db2.gz HSTIHZZXZXGLJR-IXDOHACOSA-N 2 2 330.476 2.381 10 30 EEEELP C=C(C)C[N@@H+](CCOC)C1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1 ZINC001499538761 1112353226 /nfs/dbraw/zinc/35/32/26/1112353226.db2.gz MPIKVLJXDKRDNI-UHFFFAOYSA-N 2 2 348.491 2.203 10 30 EEEELP C=C(C)C[N@H+](CCOC)C1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1 ZINC001499538761 1112353232 /nfs/dbraw/zinc/35/32/32/1112353232.db2.gz MPIKVLJXDKRDNI-UHFFFAOYSA-N 2 2 348.491 2.203 10 30 EEEELP C=CC[NH2+]C1(CNC(=O)C(F)F)CC[NH+](Cc2ccccc2)CC1 ZINC001508087155 1115416659 /nfs/dbraw/zinc/41/66/59/1115416659.db2.gz FLGNSQHCUNPMAB-UHFFFAOYSA-N 2 2 337.414 2.178 10 30 EEEELP C=CCCC[N@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001567939023 1124195064 /nfs/dbraw/zinc/19/50/64/1124195064.db2.gz MUUZQVLJBXLDLE-DLBZAZTESA-N 2 2 330.476 2.335 10 30 EEEELP C=CCCC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001567939023 1124195067 /nfs/dbraw/zinc/19/50/67/1124195067.db2.gz MUUZQVLJBXLDLE-DLBZAZTESA-N 2 2 330.476 2.335 10 30 EEEELP C=CCNC(=O)C[NH+]1CCN(c2cc(C)[nH+]c3ccc(F)cc32)CC1 ZINC000120653107 463023852 /nfs/dbraw/zinc/02/38/52/463023852.db2.gz XFXJZNCKURHQGD-UHFFFAOYSA-N 2 2 342.418 2.107 10 30 EEEELP C=CCNC(=O)C[NH+]1CCN(c2cc(CC)[nH+]c3ccccc32)CC1 ZINC000123201241 463324204 /nfs/dbraw/zinc/32/42/04/463324204.db2.gz LBEZMYCWQOJQFU-UHFFFAOYSA-N 2 2 338.455 2.221 10 30 EEEELP N#Cc1ccsc1NC(=O)C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000171387858 463855010 /nfs/dbraw/zinc/85/50/10/463855010.db2.gz RSTWKRBODHFYJJ-UHFFFAOYSA-N 2 2 332.473 2.366 10 30 EEEELP C=C(C)C[NH+]1CCC(NC(=O)NCc2[nH+]ccn2CC(C)C)CC1 ZINC000176497675 464788360 /nfs/dbraw/zinc/78/83/60/464788360.db2.gz PKNQGIILOIENKJ-UHFFFAOYSA-N 2 2 333.480 2.379 10 30 EEEELP CN(C)C(=O)C[NH+]1CCC([NH2+]Cc2ccc(C(C)(C)C#N)cc2)CC1 ZINC000594502771 468610107 /nfs/dbraw/zinc/61/01/07/468610107.db2.gz RIVTZNMUDMPFOZ-UHFFFAOYSA-N 2 2 342.487 2.130 10 30 EEEELP CC[C@@H](C[NH2+]C[C@@H](O)CC1(C#N)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000600715789 468631394 /nfs/dbraw/zinc/63/13/94/468631394.db2.gz CQCOPRWEWQWRFW-OALUTQOASA-N 2 2 327.472 2.468 10 30 EEEELP CC[C@@H](C[NH2+]C[C@@H](O)CC1(C#N)CC1)[N@H+]1CCc2ccccc2C1 ZINC000600715789 468631398 /nfs/dbraw/zinc/63/13/98/468631398.db2.gz CQCOPRWEWQWRFW-OALUTQOASA-N 2 2 327.472 2.468 10 30 EEEELP N#Cc1ccccc1OC[C@H](O)C[NH2+]C[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC000600748793 468646891 /nfs/dbraw/zinc/64/68/91/468646891.db2.gz DRYOYZFTUXXDSN-RBUKOAKNSA-N 2 2 343.471 2.295 10 30 EEEELP N#Cc1ccccc1OC[C@H](O)C[NH2+]C[C@@H]1CC[N@H+]1C1CCCCC1 ZINC000600748793 468646899 /nfs/dbraw/zinc/64/68/99/468646899.db2.gz DRYOYZFTUXXDSN-RBUKOAKNSA-N 2 2 343.471 2.295 10 30 EEEELP C[C@H](C[NH2+]CCS(=O)(=O)c1cccc(C#N)c1)C[NH+]1CCCCC1 ZINC000584108189 468800569 /nfs/dbraw/zinc/80/05/69/468800569.db2.gz QWQBGKRFJLIUEM-MRXNPFEDSA-N 2 2 349.500 2.044 10 30 EEEELP C=C(C)C[NH2+][C@H](C)[C@@H]1CN(C(=O)c2ccn3c(C)c[nH+]c3c2)CCO1 ZINC001485636673 1191865013 /nfs/dbraw/zinc/86/50/13/1191865013.db2.gz XZZPEFHNKVZZQG-WBVHZDCISA-N 2 2 342.443 2.038 10 30 EEEELP C[N@@H+](CC#Cc1ccc(F)cc1)CCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001266306417 1176204015 /nfs/dbraw/zinc/20/40/15/1176204015.db2.gz RAMOGDRLLQZQTC-UHFFFAOYSA-N 2 2 345.462 2.100 10 30 EEEELP C[N@H+](CC#Cc1ccc(F)cc1)CCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001266306417 1176204023 /nfs/dbraw/zinc/20/40/23/1176204023.db2.gz RAMOGDRLLQZQTC-UHFFFAOYSA-N 2 2 345.462 2.100 10 30 EEEELP C#CC[NH2+][C@H](CNC(=O)CCn1cc[nH+]c1)c1ccc(C(C)C)cc1 ZINC001267512643 1179228797 /nfs/dbraw/zinc/22/87/97/1179228797.db2.gz PVCUXNAPJBJQDR-LJQANCHMSA-N 2 2 338.455 2.477 10 30 EEEELP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC/C=C\CC ZINC001267532150 1179283360 /nfs/dbraw/zinc/28/33/60/1179283360.db2.gz MFYCJYGAVDAVOW-CMZLPQLFSA-N 2 2 329.488 2.116 10 30 EEEELP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC/C=C\CC ZINC001267532150 1179283364 /nfs/dbraw/zinc/28/33/64/1179283364.db2.gz MFYCJYGAVDAVOW-CMZLPQLFSA-N 2 2 329.488 2.116 10 30 EEEELP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2CC/C=C\CC ZINC001267532150 1179283370 /nfs/dbraw/zinc/28/33/70/1179283370.db2.gz MFYCJYGAVDAVOW-CMZLPQLFSA-N 2 2 329.488 2.116 10 30 EEEELP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2CC/C=C\CC ZINC001267532150 1179283375 /nfs/dbraw/zinc/28/33/75/1179283375.db2.gz MFYCJYGAVDAVOW-CMZLPQLFSA-N 2 2 329.488 2.116 10 30 EEEELP CC[C@H](CNC(=O)Cn1cc[nH+]c1)[NH2+]CC#Cc1ccccc1Cl ZINC001267832063 1180601883 /nfs/dbraw/zinc/60/18/83/1180601883.db2.gz XHGWFECQKLBNQU-MRXNPFEDSA-N 2 2 344.846 2.073 10 30 EEEELP C[NH+](C)[C@@H]1CCC[C@H](C(=O)N2CCC([N@H+](CC#N)CC3CC3)CC2)C1 ZINC001269632765 1184457777 /nfs/dbraw/zinc/45/77/77/1184457777.db2.gz MKFYNKVUFMCSAR-PKOBYXMFSA-N 2 2 346.519 2.333 10 30 EEEELP C[NH+](C)[C@@H]1CCC[C@H](C(=O)N2CCC([N@@H+](CC#N)CC3CC3)CC2)C1 ZINC001269632765 1184457780 /nfs/dbraw/zinc/45/77/80/1184457780.db2.gz MKFYNKVUFMCSAR-PKOBYXMFSA-N 2 2 346.519 2.333 10 30 EEEELP C=CC[NH2+]C[C@H](CC(C)C)NC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1 ZINC001482386688 1185584999 /nfs/dbraw/zinc/58/49/99/1185584999.db2.gz VJNSCUHLWNPPBW-WMLDXEAASA-N 2 2 333.480 2.097 10 30 EEEELP C=CC[NH2+]C[C@H](CC(C)C)NC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1 ZINC001482386688 1185585003 /nfs/dbraw/zinc/58/50/03/1185585003.db2.gz VJNSCUHLWNPPBW-WMLDXEAASA-N 2 2 333.480 2.097 10 30 EEEELP C=C(Cl)C[NH2+]C[C@H](CC(C)C)NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001482386879 1185586416 /nfs/dbraw/zinc/58/64/16/1185586416.db2.gz JOZSWRMVCPAXLJ-CABCVRRESA-N 2 2 338.883 2.319 10 30 EEEELP C#CC[NH2+]CC[C@@H]1CCCCN1C(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001271543338 1186302473 /nfs/dbraw/zinc/30/24/73/1186302473.db2.gz HCAIZWKLGIQDRO-ROUUACIJSA-N 2 2 330.476 2.464 10 30 EEEELP C#CCC[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001482495055 1186396767 /nfs/dbraw/zinc/39/67/67/1186396767.db2.gz ZLYMCZWYJSACTO-AEFFLSMTSA-N 2 2 342.487 2.002 10 30 EEEELP C=CCCCCC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001483662535 1190724872 /nfs/dbraw/zinc/72/48/72/1190724872.db2.gz VRUKCAYPQIPUEF-DLBZAZTESA-N 2 2 330.476 2.382 10 30 EEEELP C=CCCCCC[N@H+]1CC[C@@H]1CNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001483662535 1190724873 /nfs/dbraw/zinc/72/48/73/1190724873.db2.gz VRUKCAYPQIPUEF-DLBZAZTESA-N 2 2 330.476 2.382 10 30 EEEELP C=CCOCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)CCc1c[nH]c[nH+]1 ZINC001483803990 1191050944 /nfs/dbraw/zinc/05/09/44/1191050944.db2.gz DWHOQFMLPCYGNG-AYHJJNSGSA-N 2 2 346.475 2.047 10 30 EEEELP C=CCOCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)CCc1c[nH+]c[nH]1 ZINC001483803990 1191050946 /nfs/dbraw/zinc/05/09/46/1191050946.db2.gz DWHOQFMLPCYGNG-AYHJJNSGSA-N 2 2 346.475 2.047 10 30 EEEELP C=CCC[NH+]1CCC(C)(CNC(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC001484138381 1191229236 /nfs/dbraw/zinc/22/92/36/1191229236.db2.gz YYDZVSKOLGQFPF-INIZCTEOSA-N 2 2 330.476 2.240 10 30 EEEELP C=CCC[N@@H+]1C[C@H]2CN(C(=O)[C@H](CC(C)C)n3cc[nH+]c3)C[C@H]2C1 ZINC001484408461 1191334585 /nfs/dbraw/zinc/33/45/85/1191334585.db2.gz NAEYSJAUWAXHEB-KSZLIROESA-N 2 2 330.476 2.437 10 30 EEEELP C=CCC[N@H+]1C[C@H]2CN(C(=O)[C@H](CC(C)C)n3cc[nH+]c3)C[C@H]2C1 ZINC001484408461 1191334586 /nfs/dbraw/zinc/33/45/86/1191334586.db2.gz NAEYSJAUWAXHEB-KSZLIROESA-N 2 2 330.476 2.437 10 30 EEEELP CC(C)[N@H+](C)CC(=O)N[C@@H]1CCC[NH+](Cc2ccccc2C#N)[C@@H]1C ZINC001486185549 1193724926 /nfs/dbraw/zinc/72/49/26/1193724926.db2.gz BQENDMOAVNWNAX-VQIMIIECSA-N 2 2 342.487 2.368 10 30 EEEELP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CCC[NH+](Cc2ccccc2C#N)[C@@H]1C ZINC001486185549 1193724930 /nfs/dbraw/zinc/72/49/30/1193724930.db2.gz BQENDMOAVNWNAX-VQIMIIECSA-N 2 2 342.487 2.368 10 30 EEEELP CC(C)[NH+](C)CC(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2C#N)[C@@H]1C ZINC001486185549 1193724933 /nfs/dbraw/zinc/72/49/33/1193724933.db2.gz BQENDMOAVNWNAX-VQIMIIECSA-N 2 2 342.487 2.368 10 30 EEEELP CC(C)[NH+](C)CC(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2C#N)[C@@H]1C ZINC001486185549 1193724935 /nfs/dbraw/zinc/72/49/35/1193724935.db2.gz BQENDMOAVNWNAX-VQIMIIECSA-N 2 2 342.487 2.368 10 30 EEEELP C=CCC[C@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C)[C@H]1CCCO1 ZINC000883183537 1202027512 /nfs/dbraw/zinc/02/75/12/1202027512.db2.gz DIRAGDOEDBBUJF-RCCFBDPRSA-N 2 2 337.508 2.033 10 30 EEEELP C=CCC[C@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)[C@H]1CCCO1 ZINC000883183537 1202027515 /nfs/dbraw/zinc/02/75/15/1202027515.db2.gz DIRAGDOEDBBUJF-RCCFBDPRSA-N 2 2 337.508 2.033 10 30 EEEELP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@]1(C)CCC[NH+]1Cc1ccccc1 ZINC000779095545 1208502381 /nfs/dbraw/zinc/50/23/81/1208502381.db2.gz CKGSAWXQDQNTMM-FPOVZHCZSA-N 2 2 339.483 2.255 10 30 EEEELP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@]1(C)CCC[NH+]1Cc1ccccc1 ZINC000779095545 1208502383 /nfs/dbraw/zinc/50/23/83/1208502383.db2.gz CKGSAWXQDQNTMM-FPOVZHCZSA-N 2 2 339.483 2.255 10 30 EEEELP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000779095545 1208502386 /nfs/dbraw/zinc/50/23/86/1208502386.db2.gz CKGSAWXQDQNTMM-FPOVZHCZSA-N 2 2 339.483 2.255 10 30 EEEELP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000779095545 1208502390 /nfs/dbraw/zinc/50/23/90/1208502390.db2.gz CKGSAWXQDQNTMM-FPOVZHCZSA-N 2 2 339.483 2.255 10 30 EEEELP C=C(C)CC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001277663425 1304122022 /nfs/dbraw/zinc/12/20/22/1304122022.db2.gz XMMXMQRTRFQVCW-SJLPKXTDSA-N 2 2 330.476 2.238 10 30 EEEELP C=CCCC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001264468646 1322706119 /nfs/dbraw/zinc/70/61/19/1322706119.db2.gz DJHRKSUNICFRBE-YESZJQIVSA-N 2 2 330.476 2.286 10 30 EEEELP C#CCC[NH+]1CCC(N(CCC)C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001265341287 1323086918 /nfs/dbraw/zinc/08/69/18/1323086918.db2.gz NOEWPXOOIOZEFN-INIZCTEOSA-N 2 2 330.476 2.315 10 30 EEEELP C#CCC[NH+]1CCC(N(CCC)C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001265341287 1323086929 /nfs/dbraw/zinc/08/69/29/1323086929.db2.gz NOEWPXOOIOZEFN-INIZCTEOSA-N 2 2 330.476 2.315 10 30 EEEELP C=CCCC[N@H+]1CC=C(CNC(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC001284929841 1326781405 /nfs/dbraw/zinc/78/14/05/1326781405.db2.gz NWBNGVIHYZTIIB-QGZVFWFLSA-N 2 2 328.460 2.160 10 30 EEEELP C=CCCC[N@@H+]1CC=C(CNC(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC001284929841 1326781407 /nfs/dbraw/zinc/78/14/07/1326781407.db2.gz NWBNGVIHYZTIIB-QGZVFWFLSA-N 2 2 328.460 2.160 10 30 EEEELP CC#CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001317177166 1332115229 /nfs/dbraw/zinc/11/52/29/1332115229.db2.gz PRXIZOQZQMLKAS-MOPGFXCFSA-N 2 2 327.472 2.283 10 30 EEEELP CC#CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001317177166 1332115230 /nfs/dbraw/zinc/11/52/30/1332115230.db2.gz PRXIZOQZQMLKAS-MOPGFXCFSA-N 2 2 327.472 2.283 10 30 EEEELP CC#CC[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001319849578 1332783718 /nfs/dbraw/zinc/78/37/18/1332783718.db2.gz PLCLNBUWHONANE-AEFFLSMTSA-N 2 2 342.487 2.002 10 30 EEEELP C#CCN(C(=O)Cc1c[nH+]ccc1OC)C1CC[NH+](CC(C)C)CC1 ZINC001324396628 1333673728 /nfs/dbraw/zinc/67/37/28/1333673728.db2.gz QICRSTBNHWJXBV-UHFFFAOYSA-N 2 2 343.471 2.215 10 30 EEEELP C[C@H](NC(=O)Cc1c[nH]c[nH+]1)[C@H](C)[NH2+]CC#Cc1ccc(Cl)cc1 ZINC001329133079 1334591797 /nfs/dbraw/zinc/59/17/97/1334591797.db2.gz RJXRGJCKSXAVCA-KBPBESRZSA-N 2 2 344.846 2.140 10 30 EEEELP C=CCCC[NH+]1CC[C@H](CNC(=O)c2cc([C@@H]3CCC[N@H+]3C)n[nH]2)C1 ZINC001663587331 1354993911 /nfs/dbraw/zinc/99/39/11/1354993911.db2.gz IZYLKBFFQBGXSF-QAPCUYQASA-N 2 2 345.491 2.194 10 30 EEEELP C=CCCC[NH+]1CC[C@H](CNC(=O)c2cc([C@@H]3CCC[N@@H+]3C)n[nH]2)C1 ZINC001663587331 1354993916 /nfs/dbraw/zinc/99/39/16/1354993916.db2.gz IZYLKBFFQBGXSF-QAPCUYQASA-N 2 2 345.491 2.194 10 30 EEEELP C=CCCC[N@H+]1CC[C@H](CNC(=O)c2cc([C@@H]3CCC[NH+]3C)n[nH]2)C1 ZINC001663587331 1354993920 /nfs/dbraw/zinc/99/39/20/1354993920.db2.gz IZYLKBFFQBGXSF-QAPCUYQASA-N 2 2 345.491 2.194 10 30 EEEELP C=CCCC[N@@H+]1CC[C@H](CNC(=O)c2cc([C@@H]3CCC[NH+]3C)n[nH]2)C1 ZINC001663587331 1354993924 /nfs/dbraw/zinc/99/39/24/1354993924.db2.gz IZYLKBFFQBGXSF-QAPCUYQASA-N 2 2 345.491 2.194 10 30 EEEELP C=C(C)C[N@H+]1CC[C@@H](N(CCC)C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001664673571 1355207480 /nfs/dbraw/zinc/20/74/80/1355207480.db2.gz NBYQNPMTDGAJHM-OAHLLOKOSA-N 2 2 334.464 2.239 10 30 EEEELP C=C(C)C[N@@H+]1CC[C@@H](N(CCC)C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001664673571 1355207486 /nfs/dbraw/zinc/20/74/86/1355207486.db2.gz NBYQNPMTDGAJHM-OAHLLOKOSA-N 2 2 334.464 2.239 10 30 EEEELP C=CCC[N@H+]1CC[C@H](N(CCC)C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001664674074 1355209079 /nfs/dbraw/zinc/20/90/79/1355209079.db2.gz VZNDZSWORCSZCX-SJORKVTESA-N 2 2 330.476 2.335 10 30 EEEELP C=CCC[N@@H+]1CC[C@H](N(CCC)C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001664674074 1355209081 /nfs/dbraw/zinc/20/90/81/1355209081.db2.gz VZNDZSWORCSZCX-SJORKVTESA-N 2 2 330.476 2.335 10 30 EEEELP C#CCC[NH2+]C[C@]1(NC(=O)CCc2c[nH+]cn2C)CCCC[C@H]1C ZINC001666067177 1355438645 /nfs/dbraw/zinc/43/86/45/1355438645.db2.gz CRVNYILDBWPTBA-VQIMIIECSA-N 2 2 330.476 2.031 10 30 EEEELP CC#CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)[C@H](CC)[NH+](C)C ZINC001674271648 1356810157 /nfs/dbraw/zinc/81/01/57/1356810157.db2.gz LQDCBRVXUUISIR-RBUKOAKNSA-N 2 2 327.472 2.066 10 30 EEEELP CC#CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)[C@H](CC)[NH+](C)C 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ZINC001267725525 1180298291 /nfs/dbraw/zinc/29/82/91/1180298291.db2.gz PYKSZDIEQNRZHM-SJORKVTESA-N 2 2 330.476 2.382 10 30 EEEELP C=CCCCCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001267725525 1180298294 /nfs/dbraw/zinc/29/82/94/1180298294.db2.gz PYKSZDIEQNRZHM-SJORKVTESA-N 2 2 330.476 2.382 10 30 EEEELP CC#CC[N@H+]1CC[C@H](N(CCC)C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001481406092 1181231569 /nfs/dbraw/zinc/23/15/69/1181231569.db2.gz OYDOHYBTKZKEKE-MJGOQNOKSA-N 2 2 342.487 2.090 10 30 EEEELP CC#CC[N@@H+]1CC[C@H](N(CCC)C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001481406092 1181231573 /nfs/dbraw/zinc/23/15/73/1181231573.db2.gz OYDOHYBTKZKEKE-MJGOQNOKSA-N 2 2 342.487 2.090 10 30 EEEELP CC[C@@H](CNC(=O)[C@H](C)Cc1c[nH]c[nH+]1)[NH2+]Cc1ccc(C#N)cc1 ZINC001481858655 1182810249 /nfs/dbraw/zinc/81/02/49/1182810249.db2.gz ZBIYTUSSMSLLFF-PBHICJAKSA-N 2 2 339.443 2.145 10 30 EEEELP CC[C@@H](CNC(=O)[C@H](C)Cc1c[nH+]c[nH]1)[NH2+]Cc1ccc(C#N)cc1 ZINC001481858655 1182810252 /nfs/dbraw/zinc/81/02/52/1182810252.db2.gz ZBIYTUSSMSLLFF-PBHICJAKSA-N 2 2 339.443 2.145 10 30 EEEELP CC#CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)c1cccc2[nH+]ccn21 ZINC001269570709 1184397612 /nfs/dbraw/zinc/39/76/12/1184397612.db2.gz QNJMBWPZAPFOHU-ALOPSCKCSA-N 2 2 336.439 2.473 10 30 EEEELP C=CCC[NH2+]CCC1CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC001269877421 1184687965 /nfs/dbraw/zinc/68/79/65/1184687965.db2.gz KWPHVABFVIRBFV-QGZVFWFLSA-N 2 2 330.476 2.240 10 30 EEEELP CC#CC[NH2+][C@@H]1CCN(C(=O)Cc2cn3c([nH+]2)CCCC3)C[C@@H]1CC ZINC001483615422 1190591886 /nfs/dbraw/zinc/59/18/86/1190591886.db2.gz MRUNHTREOFHGOY-FUHWJXTLSA-N 2 2 342.487 2.002 10 30 EEEELP C=CCCCCC[N@@H+]1CC[C@H]1CNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001483662538 1190725029 /nfs/dbraw/zinc/72/50/29/1190725029.db2.gz VRUKCAYPQIPUEF-IRXDYDNUSA-N 2 2 330.476 2.382 10 30 EEEELP C=CCCCCC[N@H+]1CC[C@H]1CNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001483662538 1190725031 /nfs/dbraw/zinc/72/50/31/1190725031.db2.gz VRUKCAYPQIPUEF-IRXDYDNUSA-N 2 2 330.476 2.382 10 30 EEEELP C#CCC[N@H+]1CCC[C@@](C)(CNC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001484163203 1191251289 /nfs/dbraw/zinc/25/12/89/1191251289.db2.gz HZAPVASVXKWBGJ-IBGZPJMESA-N 2 2 330.476 2.168 10 30 EEEELP C#CCC[N@@H+]1CCC[C@@](C)(CNC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001484163203 1191251290 /nfs/dbraw/zinc/25/12/90/1191251290.db2.gz HZAPVASVXKWBGJ-IBGZPJMESA-N 2 2 330.476 2.168 10 30 EEEELP C=C(C)CC[NH2+]CC1CC(NC(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC001275278404 1205296752 /nfs/dbraw/zinc/29/67/52/1205296752.db2.gz CBSHQRVQCLKLKZ-TVPLGVNVSA-N 2 2 349.519 2.080 10 30 EEEELP C=C(C)CC[NH2+]CC1CC(NC(=O)[C@@H]2COCC[N@H+]2C2CCCC2)C1 ZINC001275278404 1205296753 /nfs/dbraw/zinc/29/67/53/1205296753.db2.gz CBSHQRVQCLKLKZ-TVPLGVNVSA-N 2 2 349.519 2.080 10 30 EEEELP C[C@@H](C#N)Oc1ccc(C[NH+]2CCC([N@@H+]3CC[C@@H](O)C3)CC2)cc1 ZINC000827701027 1248654077 /nfs/dbraw/zinc/65/40/77/1248654077.db2.gz ZMTLPDPXKMCWPD-MAUKXSAKSA-N 2 2 329.444 2.008 10 30 EEEELP C[C@@H](C#N)Oc1ccc(C[NH+]2CCC([N@H+]3CC[C@@H](O)C3)CC2)cc1 ZINC000827701027 1248654091 /nfs/dbraw/zinc/65/40/91/1248654091.db2.gz ZMTLPDPXKMCWPD-MAUKXSAKSA-N 2 2 329.444 2.008 10 30 EEEELP C#CCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001491212953 1258787573 /nfs/dbraw/zinc/78/75/73/1258787573.db2.gz FNABZMMUPOLITB-QZTJIDSGSA-N 2 2 330.476 2.464 10 30 EEEELP C#CCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001491212953 1258787577 /nfs/dbraw/zinc/78/75/77/1258787577.db2.gz FNABZMMUPOLITB-QZTJIDSGSA-N 2 2 330.476 2.464 10 30 EEEELP C[C@@H]1[C@@H](NC(=O)CC[NH+](C)C)CC[N@@H+]1CC#Cc1ccccc1Cl ZINC001489286783 1290491795 /nfs/dbraw/zinc/49/17/95/1290491795.db2.gz KEVFJFCWBAOMHN-QAPCUYQASA-N 2 2 347.890 2.222 10 30 EEEELP C[C@@H]1[C@@H](NC(=O)CC[NH+](C)C)CC[N@H+]1CC#Cc1ccccc1Cl ZINC001489286783 1290491797 /nfs/dbraw/zinc/49/17/97/1290491797.db2.gz KEVFJFCWBAOMHN-QAPCUYQASA-N 2 2 347.890 2.222 10 30 EEEELP C=C(C)CC[NH2+][C@H](C)[C@@H]1CN(C(=O)c2cccc3[nH+]ccn32)CCO1 ZINC001276791065 1297734688 /nfs/dbraw/zinc/73/46/88/1297734688.db2.gz SPDDDZYMQPQYIL-WBVHZDCISA-N 2 2 342.443 2.120 10 30 EEEELP C[NH+](C)CCC(=O)N[C@]1(C)CC[N@H+](CC#Cc2ccccc2Cl)C1 ZINC001278420552 1310187438 /nfs/dbraw/zinc/18/74/38/1310187438.db2.gz MVGGBSCWOYVVRV-LJQANCHMSA-N 2 2 347.890 2.224 10 30 EEEELP C[NH+](C)CCC(=O)N[C@]1(C)CC[N@@H+](CC#Cc2ccccc2Cl)C1 ZINC001278420552 1310187442 /nfs/dbraw/zinc/18/74/42/1310187442.db2.gz MVGGBSCWOYVVRV-LJQANCHMSA-N 2 2 347.890 2.224 10 30 EEEELP C#CCC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001264549924 1322730237 /nfs/dbraw/zinc/73/02/37/1322730237.db2.gz WPAJHXJQJWKSPZ-QAPCUYQASA-N 2 2 338.455 2.496 10 30 EEEELP C=CC[NH2+]C1(CC)CCN(C(=O)[C@H]2COCC[N@@H+]2C2CCCC2)CC1 ZINC001281035486 1324733773 /nfs/dbraw/zinc/73/37/73/1324733773.db2.gz CBIQPCUMWUCDRZ-GOSISDBHSA-N 2 2 349.519 2.177 10 30 EEEELP C=CC[NH2+]C1(CC)CCN(C(=O)[C@H]2COCC[N@H+]2C2CCCC2)CC1 ZINC001281035486 1324733778 /nfs/dbraw/zinc/73/37/78/1324733778.db2.gz CBIQPCUMWUCDRZ-GOSISDBHSA-N 2 2 349.519 2.177 10 30 EEEELP CC[N@H+](C)CCC(=O)NCC1C[NH+](CC#Cc2ccc(Cl)cc2)C1 ZINC001318163516 1332481101 /nfs/dbraw/zinc/48/11/01/1332481101.db2.gz AWVUOPWWOCMLMO-UHFFFAOYSA-N 2 2 347.890 2.081 10 30 EEEELP CC[N@@H+](C)CCC(=O)NCC1C[NH+](CC#Cc2ccc(Cl)cc2)C1 ZINC001318163516 1332481103 /nfs/dbraw/zinc/48/11/03/1332481103.db2.gz AWVUOPWWOCMLMO-UHFFFAOYSA-N 2 2 347.890 2.081 10 30 EEEELP C[C@@H](C[N@H+](C)CC#Cc1cccc(Cl)c1)NC(=O)Cn1cc[nH+]c1 ZINC001322306058 1333244231 /nfs/dbraw/zinc/24/42/31/1333244231.db2.gz HGVMIIUAEGEPJR-HNNXBMFYSA-N 2 2 344.846 2.025 10 30 EEEELP C[C@@H](C[N@@H+](C)CC#Cc1cccc(Cl)c1)NC(=O)Cn1cc[nH+]c1 ZINC001322306058 1333244232 /nfs/dbraw/zinc/24/42/32/1333244232.db2.gz HGVMIIUAEGEPJR-HNNXBMFYSA-N 2 2 344.846 2.025 10 30 EEEELP C=CC[N@@H+](CC)CC1CCN(C(=O)Cc2c[nH+]ccc2OC)CC1 ZINC001328579244 1334483239 /nfs/dbraw/zinc/48/32/39/1334483239.db2.gz VXKUCHSWQTUAHP-UHFFFAOYSA-N 2 2 331.460 2.379 10 30 EEEELP C=CC[N@H+](CC)CC1CCN(C(=O)Cc2c[nH+]ccc2OC)CC1 ZINC001328579244 1334483241 /nfs/dbraw/zinc/48/32/41/1334483241.db2.gz VXKUCHSWQTUAHP-UHFFFAOYSA-N 2 2 331.460 2.379 10 30 EEEELP C=CCCC[N@@H+]1CC[C@@]2(NC(=O)CCc3[nH+]ccn3C)CCC[C@@H]12 ZINC001332100920 1335728724 /nfs/dbraw/zinc/72/87/24/1335728724.db2.gz QKBYMJFAKUFTFH-APWZRJJASA-N 2 2 330.476 2.432 10 30 EEEELP C=CCCC[N@H+]1CC[C@@]2(NC(=O)CCc3[nH+]ccn3C)CCC[C@@H]12 ZINC001332100920 1335728727 /nfs/dbraw/zinc/72/87/27/1335728727.db2.gz QKBYMJFAKUFTFH-APWZRJJASA-N 2 2 330.476 2.432 10 30 EEEELP C#CCC[NH+]1CCC([C@@H](C)NC(=O)Cc2cn3c([nH+]2)CCCC3)CC1 ZINC001332948399 1335935299 /nfs/dbraw/zinc/93/52/99/1335935299.db2.gz MVKDKMOOOFVAHW-MRXNPFEDSA-N 2 2 342.487 2.002 10 30 EEEELP C=CCC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001656550405 1354247365 /nfs/dbraw/zinc/24/73/65/1354247365.db2.gz AMEDHFLTQHRFRV-ZACQAIPSSA-N 2 2 330.476 2.238 10 30 EEEELP CC#CC[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001660439547 1354465619 /nfs/dbraw/zinc/46/56/19/1354465619.db2.gz IWSRHBKNORHAAI-FUHWJXTLSA-N 2 2 342.487 2.144 10 30 EEEELP C=CCC[C@@H](C)[N@@H+]1CC[C@@H](CNC(=O)Cc2c[nH+]ccc2OC)C1 ZINC001663598762 1354996531 /nfs/dbraw/zinc/99/65/31/1354996531.db2.gz NZWUBQVSTDNYEE-CVEARBPZSA-N 2 2 331.460 2.426 10 30 EEEELP C=CCC[C@@H](C)[N@H+]1CC[C@@H](CNC(=O)Cc2c[nH+]ccc2OC)C1 ZINC001663598762 1354996533 /nfs/dbraw/zinc/99/65/33/1354996533.db2.gz NZWUBQVSTDNYEE-CVEARBPZSA-N 2 2 331.460 2.426 10 30 EEEELP CC#CC[N@@H+]1CC[C@@H](CCNC(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001664721493 1355222431 /nfs/dbraw/zinc/22/24/31/1355222431.db2.gz DVXBLTZHTHGKSU-MSOLQXFVSA-N 2 2 330.476 2.322 10 30 EEEELP CC#CC[N@H+]1CC[C@@H](CCNC(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001664721493 1355222437 /nfs/dbraw/zinc/22/24/37/1355222437.db2.gz DVXBLTZHTHGKSU-MSOLQXFVSA-N 2 2 330.476 2.322 10 30 EEEELP C=C(C)C[NH2+]C[C@H]1CN(C(=O)Cc2cn3c([nH+]2)CCCC3)C[C@H]1C ZINC001672280750 1356493260 /nfs/dbraw/zinc/49/32/60/1356493260.db2.gz YAIIYYLQHXTYFA-CVEARBPZSA-N 2 2 330.476 2.022 10 30 EEEELP C=CCOCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001672539302 1356550673 /nfs/dbraw/zinc/55/06/73/1356550673.db2.gz YHBYQVGLEJRADF-FGTMMUONSA-N 2 2 346.475 2.102 10 30 EEEELP C=CCOCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001672539302 1356550674 /nfs/dbraw/zinc/55/06/74/1356550674.db2.gz YHBYQVGLEJRADF-FGTMMUONSA-N 2 2 346.475 2.102 10 30 EEEELP C=CCOCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001672539304 1356550986 /nfs/dbraw/zinc/55/09/86/1356550986.db2.gz YHBYQVGLEJRADF-OKZBNKHCSA-N 2 2 346.475 2.102 10 30 EEEELP C=CCOCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001672539304 1356550988 /nfs/dbraw/zinc/55/09/88/1356550988.db2.gz YHBYQVGLEJRADF-OKZBNKHCSA-N 2 2 346.475 2.102 10 30 EEEELP C=CCCC[NH2+]C[C@H]1CCCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001480285851 1099993759 /nfs/dbraw/zinc/99/37/59/1099993759.db2.gz CXWVJUNEZJFLEW-IAGOWNOFSA-N 2 2 330.476 2.240 10 30 EEEELP C#CCC[NH2+]CC1(NC(=O)Cc2cn3cccc(C)c3[nH+]2)CCCC1 ZINC001495202599 1100883713 /nfs/dbraw/zinc/88/37/13/1100883713.db2.gz PZSOCSJCUANVDH-UHFFFAOYSA-N 2 2 338.455 2.227 10 30 EEEELP C=C(C)C[NH+]1CCC(NC(=O)[C@@H](CC)[N@@H+]2CCO[C@@H](CC)C2)CC1 ZINC001464911324 1110407335 /nfs/dbraw/zinc/40/73/35/1110407335.db2.gz XTJVOYKKMMNEHN-ZWKOTPCHSA-N 2 2 337.508 2.033 10 30 EEEELP C=C(C)C[NH+]1CCC(NC(=O)[C@@H](CC)[N@H+]2CCO[C@@H](CC)C2)CC1 ZINC001464911324 1110407336 /nfs/dbraw/zinc/40/73/36/1110407336.db2.gz XTJVOYKKMMNEHN-ZWKOTPCHSA-N 2 2 337.508 2.033 10 30 EEEELP C=C(C)CC[N@@H+]1CCC[C@@](CO)(NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001501331862 1113302969 /nfs/dbraw/zinc/30/29/69/1113302969.db2.gz QREJNWODBAMQPE-LJQANCHMSA-N 2 2 342.443 2.086 10 30 EEEELP C=C(C)CC[N@H+]1CCC[C@@](CO)(NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001501331862 1113302971 /nfs/dbraw/zinc/30/29/71/1113302971.db2.gz QREJNWODBAMQPE-LJQANCHMSA-N 2 2 342.443 2.086 10 30 EEEELP C=C(C)Cn1c(C[NH+]2CCCC2)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001523795174 1119867121 /nfs/dbraw/zinc/86/71/21/1119867121.db2.gz APLIBALUJALNOZ-UHFFFAOYSA-N 2 2 346.523 2.371 10 30 EEEELP N#Cc1csc(C[NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)n1 ZINC000352837101 162306572 /nfs/dbraw/zinc/30/65/72/162306572.db2.gz YQUNKJAEEGBYBW-UHFFFAOYSA-N 2 2 328.441 2.137 10 30 EEEELP Cc1cn2c([nH+]1)[C@H](C[NH+]=C([O-])N1CCC[C@H]1Cn1cc[nH+]c1)CCC2 ZINC000328638032 465083213 /nfs/dbraw/zinc/08/32/13/465083213.db2.gz BETZYCRHSDRDMX-HOTGVXAUSA-N 2 2 342.447 2.344 10 30 EEEELP C[N@H+]1CCCN(C([O-])=[NH+][C@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)CC1 ZINC000329303531 465293363 /nfs/dbraw/zinc/29/33/63/465293363.db2.gz WXINSCGQERHJCJ-AWEZNQCLSA-N 2 2 333.480 2.047 10 30 EEEELP Cc1cn2c([nH+]1)[C@H](CNC(=O)N1CC[C@@H]3CC[N@@H+](C)C[C@H]31)CCC2 ZINC000329303803 465294594 /nfs/dbraw/zinc/29/45/94/465294594.db2.gz XQPIOBWRAYOVTN-HRCADAONSA-N 2 2 331.464 2.009 10 30 EEEELP Cc1cn2c([nH+]1)[C@H](CNC(=O)N1CC[C@@H]3CC[N@H+](C)C[C@H]31)CCC2 ZINC000329303803 465294597 /nfs/dbraw/zinc/29/45/97/465294597.db2.gz XQPIOBWRAYOVTN-HRCADAONSA-N 2 2 331.464 2.009 10 30 EEEELP NC(=[NH+]OCc1ccccc1)c1ccccc1C[NH+]1CCC(O)CC1 ZINC000068776727 463173470 /nfs/dbraw/zinc/17/34/70/463173470.db2.gz PHDPBFXPVVSUBJ-UHFFFAOYSA-N 2 2 339.439 2.480 10 30 EEEELP N#Cc1ccc(NC(=O)C[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)cc1 ZINC000195515703 464064841 /nfs/dbraw/zinc/06/48/41/464064841.db2.gz YFYHDZCNJARJOB-INIZCTEOSA-N 2 2 335.411 2.326 10 30 EEEELP N#Cc1ccc(NC(=O)C[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)cc1 ZINC000195515703 464064842 /nfs/dbraw/zinc/06/48/42/464064842.db2.gz YFYHDZCNJARJOB-INIZCTEOSA-N 2 2 335.411 2.326 10 30 EEEELP C[C@@H]([NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1)C(=O)N(C)CCC#N ZINC000180656539 464362635 /nfs/dbraw/zinc/36/26/35/464362635.db2.gz BMISVDZJOHBMEW-HUUCEWRRSA-N 2 2 325.416 2.283 10 30 EEEELP Cc1cc(C#N)cc(N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)n1 ZINC000367331677 466270819 /nfs/dbraw/zinc/27/08/19/466270819.db2.gz GTDQZNFDOFUTML-JWTNVVGKSA-N 2 2 325.460 2.009 10 30 EEEELP Cc1cc(C#N)cc(N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)n1 ZINC000367331677 466270821 /nfs/dbraw/zinc/27/08/21/466270821.db2.gz GTDQZNFDOFUTML-JWTNVVGKSA-N 2 2 325.460 2.009 10 30 EEEELP Cn1cc[nH+]c1[C@@H](NC(=O)[C@@H]([NH3+])CCCCC#N)c1ccccc1F ZINC000594440509 468589192 /nfs/dbraw/zinc/58/91/92/468589192.db2.gz DQWKZUZKMUXLJB-HOTGVXAUSA-N 2 2 343.406 2.176 10 30 EEEELP COc1ncncc1C[NH2+]C1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593691848 469096380 /nfs/dbraw/zinc/09/63/80/469096380.db2.gz PJRXZDSXNAAEOA-UHFFFAOYSA-N 2 2 337.427 2.111 10 30 EEEELP CC[N@@H+]1CC[C@@H](C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000181527096 527742086 /nfs/dbraw/zinc/74/20/86/527742086.db2.gz GDIUJYMXQXAVSA-IBGZPJMESA-N 3 2 326.488 2.454 10 30 EEEELP CC[N@H+]1CC[C@@H](C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000181527096 527742089 /nfs/dbraw/zinc/74/20/89/527742089.db2.gz GDIUJYMXQXAVSA-IBGZPJMESA-N 3 2 326.488 2.454 10 30 EEEELP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000761054567 577675078 /nfs/dbraw/zinc/67/50/78/577675078.db2.gz HFWUWLCXUYGXJV-OKZBNKHCSA-N 2 2 345.874 2.299 10 30 EEEELP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000761054567 577675079 /nfs/dbraw/zinc/67/50/79/577675079.db2.gz HFWUWLCXUYGXJV-OKZBNKHCSA-N 2 2 345.874 2.299 10 30 EEEELP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000761054567 577675080 /nfs/dbraw/zinc/67/50/80/577675080.db2.gz HFWUWLCXUYGXJV-OKZBNKHCSA-N 2 2 345.874 2.299 10 30 EEEELP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000761054567 577675081 /nfs/dbraw/zinc/67/50/81/577675081.db2.gz HFWUWLCXUYGXJV-OKZBNKHCSA-N 2 2 345.874 2.299 10 30 EEEELP C#CC[NH2+][C@@H](CNC(=O)Cc1[nH]c[nH+]c1C)c1ccc(C(C)C)cc1 ZINC001267345842 1178797304 /nfs/dbraw/zinc/79/73/04/1178797304.db2.gz INYMPNHCUZNCCU-IBGZPJMESA-N 2 2 338.455 2.464 10 30 EEEELP CC[C@H](C(=O)N[C@@H]1CC[N@H+](CC#Cc2ccc(Cl)cc2)C1)[NH+](C)C ZINC001267750856 1180410433 /nfs/dbraw/zinc/41/04/33/1180410433.db2.gz PHTFEAFUKXMOMB-QZTJIDSGSA-N 2 2 347.890 2.222 10 30 EEEELP CC[C@H](C(=O)N[C@@H]1CC[N@@H+](CC#Cc2ccc(Cl)cc2)C1)[NH+](C)C ZINC001267750856 1180410436 /nfs/dbraw/zinc/41/04/36/1180410436.db2.gz PHTFEAFUKXMOMB-QZTJIDSGSA-N 2 2 347.890 2.222 10 30 EEEELP C=C(C)CC[NH2+]C[C@H](NC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1)C1CC1 ZINC001269071255 1183939309 /nfs/dbraw/zinc/93/93/09/1183939309.db2.gz FPNIINCVTSETFJ-ZWKOTPCHSA-N 2 2 345.491 2.241 10 30 EEEELP C=C(C)CC[NH2+]C[C@H](NC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1)C1CC1 ZINC001269071255 1183939311 /nfs/dbraw/zinc/93/93/11/1183939311.db2.gz FPNIINCVTSETFJ-ZWKOTPCHSA-N 2 2 345.491 2.241 10 30 EEEELP CC#CC[N@H+](C)CCC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001482504215 1186413402 /nfs/dbraw/zinc/41/34/02/1186413402.db2.gz KEFGVTZJWVXECZ-IAGOWNOFSA-N 2 2 328.460 2.097 10 30 EEEELP CC#CC[N@@H+](C)CCC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001482504215 1186413403 /nfs/dbraw/zinc/41/34/03/1186413403.db2.gz KEFGVTZJWVXECZ-IAGOWNOFSA-N 2 2 328.460 2.097 10 30 EEEELP CC#CC[N@H+](C)CCC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001482504215 1186413404 /nfs/dbraw/zinc/41/34/04/1186413404.db2.gz KEFGVTZJWVXECZ-IAGOWNOFSA-N 2 2 328.460 2.097 10 30 EEEELP CC#CC[N@@H+](C)CCC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001482504215 1186413406 /nfs/dbraw/zinc/41/34/06/1186413406.db2.gz KEFGVTZJWVXECZ-IAGOWNOFSA-N 2 2 328.460 2.097 10 30 EEEELP C=C(C)CC[NH2+]CC[C@@H]1CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001272474959 1190840605 /nfs/dbraw/zinc/84/06/05/1190840605.db2.gz LEPUYZJBQANFND-SJORKVTESA-N 2 2 330.476 2.240 10 30 EEEELP C=CCC[NH2+]C[C@@H](NC(=O)[C@H]1CCn2c[nH+]cc2C1)C1CCCC1 ZINC001484001548 1191151318 /nfs/dbraw/zinc/15/13/18/1191151318.db2.gz AZZKRVVNAYQQII-FUHWJXTLSA-N 2 2 330.476 2.286 10 30 EEEELP C=C(C)C[NH+]1CCC(C)(CNC(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC001484137252 1191228687 /nfs/dbraw/zinc/22/86/87/1191228687.db2.gz CNXHZIDDDMAPJX-MRXNPFEDSA-N 2 2 330.476 2.240 10 30 EEEELP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC000876893100 1199808947 /nfs/dbraw/zinc/80/89/47/1199808947.db2.gz VNOZBOCZMUBHEL-TZMCWYRMSA-N 2 2 327.881 2.423 10 30 EEEELP C=CCC[NH+]1CC2(C1)CN(C(=O)CC[N@@H+](C)C1CCCCC1)CCO2 ZINC001273623422 1281569893 /nfs/dbraw/zinc/56/98/93/1281569893.db2.gz GCESPEJVOHVQGY-UHFFFAOYSA-N 2 2 349.519 2.130 10 30 EEEELP C=CCC[NH+]1CC2(C1)CN(C(=O)CC[N@H+](C)C1CCCCC1)CCO2 ZINC001273623422 1281569901 /nfs/dbraw/zinc/56/99/01/1281569901.db2.gz GCESPEJVOHVQGY-UHFFFAOYSA-N 2 2 349.519 2.130 10 30 EEEELP CCC1([NH+]2CCOCC2)CC[NH+](C[C@H](O)c2ccc(C#N)cc2)CC1 ZINC000860029167 1294763057 /nfs/dbraw/zinc/76/30/57/1294763057.db2.gz WUIVATBOMYYRGW-IBGZPJMESA-N 2 2 343.471 2.168 10 30 EEEELP C=C(C[NH+](C)C)C(=O)N1CC[N@@H+](Cc2ccccc2OCC)C[C@@H]1C ZINC001155340430 1317558140 /nfs/dbraw/zinc/55/81/40/1317558140.db2.gz OCORLJUCKQCSGF-KRWDZBQOSA-N 2 2 345.487 2.236 10 30 EEEELP C=C(C[NH+](C)C)C(=O)N1CC[N@H+](Cc2ccccc2OCC)C[C@@H]1C ZINC001155340430 1317558145 /nfs/dbraw/zinc/55/81/45/1317558145.db2.gz OCORLJUCKQCSGF-KRWDZBQOSA-N 2 2 345.487 2.236 10 30 EEEELP C[NH+]1CCN(c2ccc(C[NH2+]Cc3ccc(C#N)cn3)cc2F)CC1 ZINC001261132214 1322025192 /nfs/dbraw/zinc/02/51/92/1322025192.db2.gz BJLSZXLLEZOBFU-UHFFFAOYSA-N 2 2 339.418 2.134 10 30 EEEELP C#CCC[NH+]1CCC(N(CCC)C(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001265341288 1323086575 /nfs/dbraw/zinc/08/65/75/1323086575.db2.gz NOEWPXOOIOZEFN-MRXNPFEDSA-N 2 2 330.476 2.315 10 30 EEEELP C#CCC[NH+]1CCC(N(CCC)C(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001265341288 1323086566 /nfs/dbraw/zinc/08/65/66/1323086566.db2.gz NOEWPXOOIOZEFN-MRXNPFEDSA-N 2 2 330.476 2.315 10 30 EEEELP C=CCCC[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001265587206 1323243186 /nfs/dbraw/zinc/24/31/86/1323243186.db2.gz XUAPNGGMYNXQQE-IRXDYDNUSA-N 2 2 330.476 2.240 10 30 EEEELP C=CCCC[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001265587206 1323243194 /nfs/dbraw/zinc/24/31/94/1323243194.db2.gz XUAPNGGMYNXQQE-IRXDYDNUSA-N 2 2 330.476 2.240 10 30 EEEELP C=C(C)CC[NH2+]C[C@H]1CCCCN1C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001280445285 1324230073 /nfs/dbraw/zinc/23/00/73/1324230073.db2.gz RQKKYDUYKWGJHI-IAGOWNOFSA-N 2 2 330.476 2.382 10 30 EEEELP C=CCC[NH2+][C@H](CCN(C)C(=O)[C@@H]1CCc2c[nH+]cn2C1)C(C)C ZINC001282557733 1325740920 /nfs/dbraw/zinc/74/09/20/1325740920.db2.gz IOSBSIDJGMLIND-SJLPKXTDSA-N 2 2 332.492 2.484 10 30 EEEELP CC#CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001317177169 1332115677 /nfs/dbraw/zinc/11/56/77/1332115677.db2.gz PRXIZOQZQMLKAS-RBUKOAKNSA-N 2 2 327.472 2.283 10 30 EEEELP CC#CC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001317177169 1332115678 /nfs/dbraw/zinc/11/56/78/1332115678.db2.gz PRXIZOQZQMLKAS-RBUKOAKNSA-N 2 2 327.472 2.283 10 30 EEEELP C=CC[NH2+]C[C@@H]1CN(C(=O)Cc2cn3cccc(C)c3[nH+]2)C[C@@H]1C ZINC001325574458 1333914710 /nfs/dbraw/zinc/91/47/10/1333914710.db2.gz HAUBQPODXKGCNO-JKSUJKDBSA-N 2 2 326.444 2.055 10 30 EEEELP C#CCC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)c3cccc4[nH+]ccn43)C[C@@H]21 ZINC001332141089 1335741897 /nfs/dbraw/zinc/74/18/97/1335741897.db2.gz QDAVCVFDTFEDCT-IXDOHACOSA-N 2 2 336.439 2.188 10 30 EEEELP C=C(Br)C[NH2+]CCN(CC)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001668570069 1355964393 /nfs/dbraw/zinc/96/43/93/1355964393.db2.gz LZNDZNDKCKOWIE-ZDUSSCGKSA-N 2 2 343.269 2.181 10 30 EEEELP C=CCC[NH2+][C@@H](CCN(C)C(=O)[C@H]1CCn2c[nH+]cc2C1)C(C)C ZINC001570777521 1343114555 /nfs/dbraw/zinc/11/45/55/1343114555.db2.gz RJJZPMMPCHNXHF-WMZOPIPTSA-N 2 2 332.492 2.484 10 30 EEEELP C#CCC[NH2+]C[C@@H](NC(=O)Cc1cn2cccc(C)c2[nH+]1)C(C)(C)C ZINC001677291672 1357308531 /nfs/dbraw/zinc/30/85/31/1357308531.db2.gz KZLPHKJACCNRQB-QGZVFWFLSA-N 2 2 340.471 2.329 10 30 EEEELP C=CCC[NH2+][C@H](C)C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001664457929 1355169623 /nfs/dbraw/zinc/16/96/23/1355169623.db2.gz WLWANZFZIFRMPL-DJIMGWMZSA-N 2 2 330.476 2.316 10 30 EEEELP C=CC[N@H+]1CC[C@H](N(CCC)C(=O)c2cc([C@H]3CCC[NH+]3C)[nH]n2)C1 ZINC001664667634 1355205938 /nfs/dbraw/zinc/20/59/38/1355205938.db2.gz OQVZZLHNZBDHNO-MAUKXSAKSA-N 2 2 345.491 2.289 10 30 EEEELP C=CC[N@@H+]1CC[C@H](N(CCC)C(=O)c2cc([C@H]3CCC[NH+]3C)[nH]n2)C1 ZINC001664667634 1355205943 /nfs/dbraw/zinc/20/59/43/1355205943.db2.gz OQVZZLHNZBDHNO-MAUKXSAKSA-N 2 2 345.491 2.289 10 30 EEEELP C=CC[NH+]1CC[C@H](N(CCC)C(=O)c2cc([C@H]3CCC[N@@H+]3C)[nH]n2)C1 ZINC001664667634 1355205947 /nfs/dbraw/zinc/20/59/47/1355205947.db2.gz OQVZZLHNZBDHNO-MAUKXSAKSA-N 2 2 345.491 2.289 10 30 EEEELP C=CC[NH+]1CC[C@H](N(CCC)C(=O)c2cc([C@H]3CCC[N@H+]3C)[nH]n2)C1 ZINC001664667634 1355205952 /nfs/dbraw/zinc/20/59/52/1355205952.db2.gz OQVZZLHNZBDHNO-MAUKXSAKSA-N 2 2 345.491 2.289 10 30 EEEELP C=CCC[NH2+]C[C@@H]1CN(C(=O)Cc2cn3cccc(C)c3[nH+]2)C[C@@H]1C ZINC001672320192 1356500446 /nfs/dbraw/zinc/50/04/46/1356500446.db2.gz FDCKNHYTVRYEPV-DLBZAZTESA-N 2 2 340.471 2.445 10 30 EEEELP C=CCC[NH2+]C[C@H]1CN(C(=O)Cc2cn3cccc(C)c3[nH+]2)C[C@H]1C ZINC001672320194 1356500675 /nfs/dbraw/zinc/50/06/75/1356500675.db2.gz FDCKNHYTVRYEPV-SJORKVTESA-N 2 2 340.471 2.445 10 30 EEEELP C=CCC[C@@H](C)[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001675759232 1357046756 /nfs/dbraw/zinc/04/67/56/1357046756.db2.gz FDDHGIVZZGVTQG-QBPKDAKJSA-N 2 2 330.476 2.285 10 30 EEEELP CC#CC[NH2+]C[C@H](NC(=O)C(C)(C)n1c[nH+]c(C)c1)C1CCCC1 ZINC001699796993 1405489389 /nfs/dbraw/zinc/48/93/89/1405489389.db2.gz XYYGBIFOKASDIP-KRWDZBQOSA-N 2 2 330.476 2.215 10 30 EEEELP COCC#CC[NH2+][C@H](C)[C@@H]1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001699943229 1405592142 /nfs/dbraw/zinc/59/21/42/1405592142.db2.gz GYNGIWWBFXCEDU-SJLPKXTDSA-N 2 2 343.471 2.097 10 30 EEEELP Cc1cc(C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)cc(C)c1C#N ZINC000906677660 784073618 /nfs/dbraw/zinc/07/36/18/784073618.db2.gz NWLCWCPIZXLQNV-UHFFFAOYSA-N 2 2 342.487 2.273 10 30 EEEELP Cc1cc(C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)cc(C)c1C#N ZINC000906677660 784073622 /nfs/dbraw/zinc/07/36/22/784073622.db2.gz NWLCWCPIZXLQNV-UHFFFAOYSA-N 2 2 342.487 2.273 10 30 EEEELP C[C@H](CNC(=O)C[C@@H](C)n1cc[nH+]c1)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001437217500 1089299748 /nfs/dbraw/zinc/29/97/48/1089299748.db2.gz YWAWRSUYCXKDLZ-ZIAGYGMSSA-N 2 2 343.406 2.139 10 30 EEEELP C=C(Cl)C[NH2+][C@@H](CC)CNC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1 ZINC001438302341 1090781752 /nfs/dbraw/zinc/78/17/52/1090781752.db2.gz UAMRKNKTAXOPNK-WFASDCNBSA-N 2 2 339.871 2.027 10 30 EEEELP C=C(Cl)C[NH2+][C@@H](CC)CNC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1 ZINC001438302341 1090781757 /nfs/dbraw/zinc/78/17/57/1090781757.db2.gz UAMRKNKTAXOPNK-WFASDCNBSA-N 2 2 339.871 2.027 10 30 EEEELP C=C(C)C[N@H+](CCCNC(=O)[C@@H]1COCC[NH+]1C1CCCC1)C1CC1 ZINC001479875269 1099231755 /nfs/dbraw/zinc/23/17/55/1099231755.db2.gz SIOAZQALWAPLSQ-IBGZPJMESA-N 2 2 349.519 2.177 10 30 EEEELP C=C(C)C[N@@H+](CCCNC(=O)[C@@H]1COCC[NH+]1C1CCCC1)C1CC1 ZINC001479875269 1099231765 /nfs/dbraw/zinc/23/17/65/1099231765.db2.gz SIOAZQALWAPLSQ-IBGZPJMESA-N 2 2 349.519 2.177 10 30 EEEELP C=C(C)C[NH+](CCCNC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1)C1CC1 ZINC001479875269 1099231773 /nfs/dbraw/zinc/23/17/73/1099231773.db2.gz SIOAZQALWAPLSQ-IBGZPJMESA-N 2 2 349.519 2.177 10 30 EEEELP C=C(C)C[NH+](CCCNC(=O)[C@@H]1COCC[N@H+]1C1CCCC1)C1CC1 ZINC001479875269 1099231783 /nfs/dbraw/zinc/23/17/83/1099231783.db2.gz SIOAZQALWAPLSQ-IBGZPJMESA-N 2 2 349.519 2.177 10 30 EEEELP C=C(C)CC[NH2+][C@@H](CNC(=O)Cc1cn2c([nH+]1)CCCC2)C(C)C ZINC001496560054 1101161623 /nfs/dbraw/zinc/16/16/23/1101161623.db2.gz AVPSEKSHJVRJNV-KRWDZBQOSA-N 2 2 332.492 2.459 10 30 EEEELP C=CCCC[N@@H+]1CC[C@@H](CCNC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001494031180 1103391869 /nfs/dbraw/zinc/39/18/69/1103391869.db2.gz QNLSDMIXIMFLJO-SJORKVTESA-N 2 2 330.476 2.240 10 30 EEEELP C=CCCC[N@H+]1CC[C@@H](CCNC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001494031180 1103391879 /nfs/dbraw/zinc/39/18/79/1103391879.db2.gz QNLSDMIXIMFLJO-SJORKVTESA-N 2 2 330.476 2.240 10 30 EEEELP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@H+]1CCCCC(F)(F)F ZINC001498998098 1108435565 /nfs/dbraw/zinc/43/55/65/1108435565.db2.gz OBWYGPHWZUHQRU-GJZGRUSLSA-N 2 2 345.409 2.007 10 30 EEEELP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+]1CCCCC(F)(F)F ZINC001498998098 1108435572 /nfs/dbraw/zinc/43/55/72/1108435572.db2.gz OBWYGPHWZUHQRU-GJZGRUSLSA-N 2 2 345.409 2.007 10 30 EEEELP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+]1CCCCC(F)(F)F ZINC001498998098 1108435576 /nfs/dbraw/zinc/43/55/76/1108435576.db2.gz OBWYGPHWZUHQRU-GJZGRUSLSA-N 2 2 345.409 2.007 10 30 EEEELP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+]1CCCCC(F)(F)F ZINC001498998098 1108435580 /nfs/dbraw/zinc/43/55/80/1108435580.db2.gz OBWYGPHWZUHQRU-GJZGRUSLSA-N 2 2 345.409 2.007 10 30 EEEELP C=C(C)CC[N@H+]1CCOC[C@H]1CNC(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001501780802 1113474789 /nfs/dbraw/zinc/47/47/89/1113474789.db2.gz YKGKHEKORAMTFX-DLBZAZTESA-N 2 2 348.491 2.180 10 30 EEEELP C=C(C)CC[N@@H+]1CCOC[C@H]1CNC(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001501780802 1113474792 /nfs/dbraw/zinc/47/47/92/1113474792.db2.gz YKGKHEKORAMTFX-DLBZAZTESA-N 2 2 348.491 2.180 10 30 EEEELP C=C(C)CC[N@H+]1CCOC[C@@H]1CNC(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001501780806 1113474906 /nfs/dbraw/zinc/47/49/06/1113474906.db2.gz YKGKHEKORAMTFX-IRXDYDNUSA-N 2 2 348.491 2.180 10 30 EEEELP C=C(C)CC[N@@H+]1CCOC[C@@H]1CNC(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001501780806 1113474908 /nfs/dbraw/zinc/47/49/08/1113474908.db2.gz YKGKHEKORAMTFX-IRXDYDNUSA-N 2 2 348.491 2.180 10 30 EEEELP C=CC[NH2+]Cc1ccc(CNC(=O)[C@@H]2CCc3c[nH+]cn3C2)c(F)c1 ZINC001508236357 1115457112 /nfs/dbraw/zinc/45/71/12/1115457112.db2.gz QHHCPUVPKAQUSI-MRXNPFEDSA-N 2 2 342.418 2.177 10 30 EEEELP C[C@H](C[NH2+]CC#Cc1cccc(Cl)c1)NC(=O)CCc1c[nH]c[nH+]1 ZINC001568996427 1125028103 /nfs/dbraw/zinc/02/81/03/1125028103.db2.gz UZLDYCWHQVZIIQ-CQSZACIVSA-N 2 2 344.846 2.142 10 30 EEEELP CC(C)[NH+]1CCN(C2CC[NH+](Cc3nc(C#N)cs3)CC2)CC1 ZINC000356128135 163342767 /nfs/dbraw/zinc/34/27/67/163342767.db2.gz YCKHNXOUWFSZOT-UHFFFAOYSA-N 2 2 333.505 2.005 10 30 EEEELP C[C@H](CC#N)C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000597438153 468555658 /nfs/dbraw/zinc/55/56/58/468555658.db2.gz QPCVSPDVAGUHJY-BPQIPLTHSA-N 2 2 334.508 2.332 10 30 EEEELP C[C@H](CC#N)C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000597438153 468555664 /nfs/dbraw/zinc/55/56/64/468555664.db2.gz QPCVSPDVAGUHJY-BPQIPLTHSA-N 2 2 334.508 2.332 10 30 EEEELP Cc1ccc([C@H](C[NH2+]C[C@H](O)CC2(C#N)CCOCC2)[NH+](C)C)cc1 ZINC000600722411 468635128 /nfs/dbraw/zinc/63/51/28/468635128.db2.gz SCWNWRQZQYOABA-MOPGFXCFSA-N 2 2 345.487 2.259 10 30 EEEELP C[N@H+](CCN1CC[NH+](Cc2ccccc2)CC1)Cc1ccnc(C#N)c1 ZINC000586776440 469063953 /nfs/dbraw/zinc/06/39/53/469063953.db2.gz LRQISJLBEIMQAY-UHFFFAOYSA-N 2 2 349.482 2.203 10 30 EEEELP C[N@@H+](CCN1CC[NH+](Cc2ccccc2)CC1)Cc1ccnc(C#N)c1 ZINC000586776440 469063960 /nfs/dbraw/zinc/06/39/60/469063960.db2.gz LRQISJLBEIMQAY-UHFFFAOYSA-N 2 2 349.482 2.203 10 30 EEEELP N#Cc1ccc(C[NH+]2CCN([C@@H]3CC[NH2+]C3)CC2)c(C(F)(F)F)c1 ZINC000595895392 469068198 /nfs/dbraw/zinc/06/81/98/469068198.db2.gz LFWPLVLQMFWIKI-OAHLLOKOSA-N 2 2 338.377 2.057 10 30 EEEELP C=CC[C@H]1CC[N@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000625701811 470170417 /nfs/dbraw/zinc/17/04/17/470170417.db2.gz SUJNHJVSSCVANC-KRWDZBQOSA-N 2 2 328.460 2.018 10 30 EEEELP C=CC[C@H]1CC[N@@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000625701811 470170418 /nfs/dbraw/zinc/17/04/18/470170418.db2.gz SUJNHJVSSCVANC-KRWDZBQOSA-N 2 2 328.460 2.018 10 30 EEEELP C=CCC[NH2+]C[C@H]1CCCN(C(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC001266804859 1177459146 /nfs/dbraw/zinc/45/91/46/1177459146.db2.gz PUVKNPFIXDJWSA-MJGOQNOKSA-N 2 2 349.519 2.034 10 30 EEEELP C=CCC[NH2+]C[C@H]1CCCN(C(=O)[C@@H]2COCC[N@H+]2C2CCCC2)C1 ZINC001266804859 1177459150 /nfs/dbraw/zinc/45/91/50/1177459150.db2.gz PUVKNPFIXDJWSA-MJGOQNOKSA-N 2 2 349.519 2.034 10 30 EEEELP C=CCCC[NH+]1CCC[C@H]1CNC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1 ZINC001691078884 1177537699 /nfs/dbraw/zinc/53/76/99/1177537699.db2.gz FFDHYCLERRUXFB-MAUKXSAKSA-N 2 2 345.491 2.337 10 30 EEEELP C=CCCC[NH+]1CCC[C@H]1CNC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1 ZINC001691078884 1177537703 /nfs/dbraw/zinc/53/77/03/1177537703.db2.gz FFDHYCLERRUXFB-MAUKXSAKSA-N 2 2 345.491 2.337 10 30 EEEELP C=CCCC[N@H+]1CCC[C@H]1CNC(=O)c1cc([C@H]2CCC[NH+]2C)n[nH]1 ZINC001691078884 1177537708 /nfs/dbraw/zinc/53/77/08/1177537708.db2.gz FFDHYCLERRUXFB-MAUKXSAKSA-N 2 2 345.491 2.337 10 30 EEEELP C=CCCC[N@@H+]1CCC[C@H]1CNC(=O)c1cc([C@H]2CCC[NH+]2C)n[nH]1 ZINC001691078884 1177537710 /nfs/dbraw/zinc/53/77/10/1177537710.db2.gz FFDHYCLERRUXFB-MAUKXSAKSA-N 2 2 345.491 2.337 10 30 EEEELP CC#CC[NH2+]C[C@@H](NC(=O)[C@H]1CCc2[nH+]ccn2C1)C1CCCCC1 ZINC001268121055 1181767947 /nfs/dbraw/zinc/76/79/47/1181767947.db2.gz YXJZUTZVZMAOLE-ZWKOTPCHSA-N 2 2 342.487 2.124 10 30 EEEELP C=CCCC[NH2+][C@H]1C[C@H](CNC(=O)c2cc([C@@H]3CCC[N@H+]3C)n[nH]2)C1 ZINC001691501367 1182090660 /nfs/dbraw/zinc/09/06/60/1182090660.db2.gz OULBHCYDYIYVNP-MPGHIAIKSA-N 2 2 345.491 2.241 10 30 EEEELP C=CCCC[NH2+][C@H]1C[C@H](CNC(=O)c2cc([C@@H]3CCC[N@@H+]3C)n[nH]2)C1 ZINC001691501367 1182090667 /nfs/dbraw/zinc/09/06/67/1182090667.db2.gz OULBHCYDYIYVNP-MPGHIAIKSA-N 2 2 345.491 2.241 10 30 EEEELP C=CCCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc([C@@H]2CCC[N@@H+]2C)[nH]n1 ZINC001268944025 1183840588 /nfs/dbraw/zinc/84/05/88/1183840588.db2.gz GWKZALOPGJKVQH-MPGHIAIKSA-N 2 2 343.475 2.041 10 30 EEEELP C=CCCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc([C@@H]2CCC[NH+]2C)[nH]n1 ZINC001268944025 1183840589 /nfs/dbraw/zinc/84/05/89/1183840589.db2.gz GWKZALOPGJKVQH-MPGHIAIKSA-N 2 2 343.475 2.041 10 30 EEEELP C=CCCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc([C@@H]2CCC[NH+]2C)[nH]n1 ZINC001268944025 1183840590 /nfs/dbraw/zinc/84/05/90/1183840590.db2.gz GWKZALOPGJKVQH-MPGHIAIKSA-N 2 2 343.475 2.041 10 30 EEEELP C=CC[NH+]1CCC[C@@](C)(CNC(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC001270981874 1185789024 /nfs/dbraw/zinc/78/90/24/1185789024.db2.gz DBAYNUJZXWHPRZ-ICSRJNTNSA-N 2 2 349.519 2.034 10 30 EEEELP C=CC[NH+]1CCC[C@@](C)(CNC(=O)[C@@H]2COCC[N@H+]2C2CCCC2)C1 ZINC001270981874 1185789028 /nfs/dbraw/zinc/78/90/28/1185789028.db2.gz DBAYNUJZXWHPRZ-ICSRJNTNSA-N 2 2 349.519 2.034 10 30 EEEELP C=CC[N@H+]1CCC[C@@](C)(CNC(=O)[C@@H]2COCC[NH+]2C2CCCC2)C1 ZINC001270981874 1185789033 /nfs/dbraw/zinc/78/90/33/1185789033.db2.gz DBAYNUJZXWHPRZ-ICSRJNTNSA-N 2 2 349.519 2.034 10 30 EEEELP C=CC[N@@H+]1CCC[C@@](C)(CNC(=O)[C@@H]2COCC[NH+]2C2CCCC2)C1 ZINC001270981874 1185789038 /nfs/dbraw/zinc/78/90/38/1185789038.db2.gz DBAYNUJZXWHPRZ-ICSRJNTNSA-N 2 2 349.519 2.034 10 30 EEEELP C=C(C)C[NH2+]CC[C@@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001271575549 1186322681 /nfs/dbraw/zinc/32/26/81/1186322681.db2.gz HHTJFNMOLIVPGW-GVDBMIGSSA-N 2 2 330.476 2.461 10 30 EEEELP CC#CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C[C@H](C)n1cc[nH+]c1)C2 ZINC001271749548 1186458104 /nfs/dbraw/zinc/45/81/04/1186458104.db2.gz GEQPGYVJOZSQNI-FJIDUMEYSA-N 2 2 328.460 2.217 10 30 EEEELP CC#CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C[C@H](C)n1cc[nH+]c1)C2 ZINC001271749548 1186458106 /nfs/dbraw/zinc/45/81/06/1186458106.db2.gz GEQPGYVJOZSQNI-FJIDUMEYSA-N 2 2 328.460 2.217 10 30 EEEELP CC#CC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@@H](CC(C)C)n3cc[nH+]c3)[C@@H]2C1 ZINC001272079169 1187419252 /nfs/dbraw/zinc/41/92/52/1187419252.db2.gz ZAZUTGMDLGMEHS-IPMKNSEASA-N 2 2 342.487 2.416 10 30 EEEELP CC#CC[N@H+]1C[C@@H]2CCCN(C(=O)[C@@H](CC(C)C)n3cc[nH+]c3)[C@@H]2C1 ZINC001272079169 1187419255 /nfs/dbraw/zinc/41/92/55/1187419255.db2.gz ZAZUTGMDLGMEHS-IPMKNSEASA-N 2 2 342.487 2.416 10 30 EEEELP C=C(Cl)C[N@@H+](C)CCN(C)C(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001482628052 1187452796 /nfs/dbraw/zinc/45/27/96/1187452796.db2.gz BEUQEHBGHWYCCW-INIZCTEOSA-N 2 2 333.879 2.342 10 30 EEEELP C=C(Cl)C[N@H+](C)CCN(C)C(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001482628052 1187452798 /nfs/dbraw/zinc/45/27/98/1187452798.db2.gz BEUQEHBGHWYCCW-INIZCTEOSA-N 2 2 333.879 2.342 10 30 EEEELP C=C(Cl)C[NH+](C)CCN(C)C(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001482628052 1187452799 /nfs/dbraw/zinc/45/27/99/1187452799.db2.gz BEUQEHBGHWYCCW-INIZCTEOSA-N 2 2 333.879 2.342 10 30 EEEELP C=C(Cl)C[NH+](C)CCN(C)C(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001482628052 1187452801 /nfs/dbraw/zinc/45/28/01/1187452801.db2.gz BEUQEHBGHWYCCW-INIZCTEOSA-N 2 2 333.879 2.342 10 30 EEEELP C=CCC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001691553813 1188254189 /nfs/dbraw/zinc/25/41/89/1188254189.db2.gz HDJGIFQUODJKOH-RBUKOAKNSA-N 2 2 338.455 2.434 10 30 EEEELP C=CCC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001691553813 1188254195 /nfs/dbraw/zinc/25/41/95/1188254195.db2.gz HDJGIFQUODJKOH-RBUKOAKNSA-N 2 2 338.455 2.434 10 30 EEEELP C=C(C)C[NH2+]C[C@@H](NC(=O)[C@@H]1CCc2c[nH+]cn2C1)C1CCCC1 ZINC001484002951 1191151842 /nfs/dbraw/zinc/15/18/42/1191151842.db2.gz LMWJHXTVXFIRHC-SJLPKXTDSA-N 2 2 330.476 2.286 10 30 EEEELP C=C(C)CC[NH+](C)[C@@H](C)CNC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC001485342304 1191746420 /nfs/dbraw/zinc/74/64/20/1191746420.db2.gz QOWOXPHSLJOONW-WMZOPIPTSA-N 2 2 337.508 2.033 10 30 EEEELP C=C(C)CC[NH+](C)[C@@H](C)CNC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC001485342304 1191746421 /nfs/dbraw/zinc/74/64/21/1191746421.db2.gz QOWOXPHSLJOONW-WMZOPIPTSA-N 2 2 337.508 2.033 10 30 EEEELP C=C(C)CC[N@@H+](C)[C@@H](C)CNC(=O)[C@@H]1COCC[NH+]1C1CCCC1 ZINC001485342304 1191746422 /nfs/dbraw/zinc/74/64/22/1191746422.db2.gz QOWOXPHSLJOONW-WMZOPIPTSA-N 2 2 337.508 2.033 10 30 EEEELP C=C(C)CC[N@H+](C)[C@@H](C)CNC(=O)[C@@H]1COCC[NH+]1C1CCCC1 ZINC001485342304 1191746423 /nfs/dbraw/zinc/74/64/23/1191746423.db2.gz QOWOXPHSLJOONW-WMZOPIPTSA-N 2 2 337.508 2.033 10 30 EEEELP C=C(C)CC[NH2+][C@@H](C)[C@H]1CN(C(=O)c2cccc3[nH+]ccn32)CCO1 ZINC001276791055 1297735374 /nfs/dbraw/zinc/73/53/74/1297735374.db2.gz SPDDDZYMQPQYIL-DOTOQJQBSA-N 2 2 342.443 2.120 10 30 EEEELP C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)CC1(C)C ZINC001278661607 1317587327 /nfs/dbraw/zinc/58/73/27/1317587327.db2.gz JIBSYIQMGCJOGN-ZWKOTPCHSA-N 2 2 349.519 2.033 10 30 EEEELP C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2COCC[N@H+]2C2CCCC2)CC1(C)C ZINC001278661607 1317587332 /nfs/dbraw/zinc/58/73/32/1317587332.db2.gz JIBSYIQMGCJOGN-ZWKOTPCHSA-N 2 2 349.519 2.033 10 30 EEEELP C=CCCC[N@@H+]1CCC[C@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001266218439 1323786930 /nfs/dbraw/zinc/78/69/30/1323786930.db2.gz PQCQRPRFAVQVGW-INIZCTEOSA-N 2 2 330.476 2.309 10 30 EEEELP C=CCCC[N@H+]1CCC[C@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001266218439 1323786941 /nfs/dbraw/zinc/78/69/41/1323786941.db2.gz PQCQRPRFAVQVGW-INIZCTEOSA-N 2 2 330.476 2.309 10 30 EEEELP C=CCCC[N@@H+]1CCC[C@@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001266218440 1323787133 /nfs/dbraw/zinc/78/71/33/1323787133.db2.gz PQCQRPRFAVQVGW-MRXNPFEDSA-N 2 2 330.476 2.309 10 30 EEEELP C=CCCC[N@H+]1CCC[C@@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001266218440 1323787139 /nfs/dbraw/zinc/78/71/39/1323787139.db2.gz PQCQRPRFAVQVGW-MRXNPFEDSA-N 2 2 330.476 2.309 10 30 EEEELP CC#CC[N@@H+]1CCC[C@H](NC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001280747884 1324475036 /nfs/dbraw/zinc/47/50/36/1324475036.db2.gz XLBUTXJMDJLZGB-ZWKOTPCHSA-N 2 2 330.476 2.464 10 30 EEEELP CC#CC[N@H+]1CCC[C@H](NC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001280747884 1324475039 /nfs/dbraw/zinc/47/50/39/1324475039.db2.gz XLBUTXJMDJLZGB-ZWKOTPCHSA-N 2 2 330.476 2.464 10 30 EEEELP COCC#CC[NH2+][C@H](CCNC(=O)c1c(C)cc(C)[nH+]c1C)C(C)C ZINC001283452810 1326077865 /nfs/dbraw/zinc/07/78/65/1326077865.db2.gz XFQOAQHILYODPE-GOSISDBHSA-N 2 2 345.487 2.391 10 30 EEEELP C=CCCC[N@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001318471923 1332545715 /nfs/dbraw/zinc/54/57/15/1332545715.db2.gz GHQZIZVYDIOFIK-DLBZAZTESA-N 2 2 330.476 2.335 10 30 EEEELP C=CCCC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001318471923 1332545717 /nfs/dbraw/zinc/54/57/17/1332545717.db2.gz GHQZIZVYDIOFIK-DLBZAZTESA-N 2 2 330.476 2.335 10 30 EEEELP C=CCC[NH+]1CCC(C)(CNC(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC001324868743 1333777407 /nfs/dbraw/zinc/77/74/07/1333777407.db2.gz NJDHXPBIZBUBKK-INIZCTEOSA-N 2 2 330.476 2.240 10 30 EEEELP C=CCC[NH2+]C[C@@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)C[C@@H]1C(F)(F)F ZINC001332468317 1335830578 /nfs/dbraw/zinc/83/05/78/1335830578.db2.gz FMCGVSWJKDFODQ-OLZOCXBDSA-N 2 2 344.381 2.063 10 30 EEEELP C#CC[NH+]1CCC([NH2+]C[C@@H](O)Cc2ccc(C(F)(F)F)cc2)CC1 ZINC001335459373 1336378762 /nfs/dbraw/zinc/37/87/62/1336378762.db2.gz VDWDOTXOKNLUCM-KRWDZBQOSA-N 2 2 340.389 2.296 10 30 EEEELP C#CC[NH+]1CCC([NH2+]C[C@@H](O)CO[C@H]2CCCc3ccccc32)CC1 ZINC001353321936 1338237257 /nfs/dbraw/zinc/23/72/57/1338237257.db2.gz CENFVDUBFBPPAB-CTNGQTDRSA-N 2 2 342.483 2.129 10 30 EEEELP C#CC[N@H+]1CCc2c(CNC(=O)C[C@@H](C)n3cc[nH+]c3)cccc2C1 ZINC001570079248 1343009648 /nfs/dbraw/zinc/00/96/48/1343009648.db2.gz RDUGRTIQXSJGHX-MRXNPFEDSA-N 2 2 336.439 2.142 10 30 EEEELP C#CC[N@@H+]1CCc2c(CNC(=O)C[C@@H](C)n3cc[nH+]c3)cccc2C1 ZINC001570079248 1343009652 /nfs/dbraw/zinc/00/96/52/1343009652.db2.gz RDUGRTIQXSJGHX-MRXNPFEDSA-N 2 2 336.439 2.142 10 30 EEEELP C=C(Cl)C[NH2+]CCC[C@@H](C)NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001571257412 1343170723 /nfs/dbraw/zinc/17/07/23/1343170723.db2.gz NYLHUNGKPZKMNV-CQSZACIVSA-N 2 2 338.883 2.389 10 30 EEEELP C=C(C[NH+](C)C)C(=O)N[C@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC001631234507 1352580118 /nfs/dbraw/zinc/58/01/18/1352580118.db2.gz ROLPHVFKXSMPGX-GOSISDBHSA-N 2 2 326.444 2.475 10 30 EEEELP C=CC[N@@H+](C)CCN(CC)C(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC001634640722 1352633663 /nfs/dbraw/zinc/63/36/63/1352633663.db2.gz MDLFOFIUWZCZEJ-UHFFFAOYSA-N 2 2 340.471 2.440 10 30 EEEELP C=CC[N@H+](C)CCN(CC)C(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC001634640722 1352633665 /nfs/dbraw/zinc/63/36/65/1352633665.db2.gz MDLFOFIUWZCZEJ-UHFFFAOYSA-N 2 2 340.471 2.440 10 30 EEEELP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC[N@H+]1CC/C=C\CCC ZINC001663502837 1354974685 /nfs/dbraw/zinc/97/46/85/1354974685.db2.gz ITXXLEZSJCMSBK-MGBKSAOESA-N 2 2 331.504 2.411 10 30 EEEELP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+]1CC/C=C\CCC ZINC001663502837 1354974687 /nfs/dbraw/zinc/97/46/87/1354974687.db2.gz ITXXLEZSJCMSBK-MGBKSAOESA-N 2 2 331.504 2.411 10 30 EEEELP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC[NH+]1CC/C=C\CCC ZINC001663502837 1354974692 /nfs/dbraw/zinc/97/46/92/1354974692.db2.gz ITXXLEZSJCMSBK-MGBKSAOESA-N 2 2 331.504 2.411 10 30 EEEELP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC[NH+]1CC/C=C\CCC ZINC001663502837 1354974695 /nfs/dbraw/zinc/97/46/95/1354974695.db2.gz ITXXLEZSJCMSBK-MGBKSAOESA-N 2 2 331.504 2.411 10 30 EEEELP C=C(C)C[NH2+]CC[C@@H]1CCCCN1C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001667268167 1355693671 /nfs/dbraw/zinc/69/36/71/1355693671.db2.gz SZRCTVPTIVSHOD-IRXDYDNUSA-N 2 2 330.476 2.382 10 30 EEEELP C[C@@H](C[NH2+]Cc1ccccc1C#N)N(C)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001444674153 1099517929 /nfs/dbraw/zinc/51/79/29/1099517929.db2.gz AORSJKYTTUZNCB-HOTGVXAUSA-N 2 2 339.443 2.343 10 30 EEEELP C#CCC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001568532368 1124594348 /nfs/dbraw/zinc/59/43/48/1124594348.db2.gz DFVUEBRVFROSQO-HKUYNNGSSA-N 2 2 336.439 2.384 10 30 EEEELP CC#CC[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001569166174 1125139710 /nfs/dbraw/zinc/13/97/10/1125139710.db2.gz SJQCLHIKNDITMO-IRXDYDNUSA-N 2 2 330.476 2.215 10 30 EEEELP O=C(NCc1cn2c([nH+]1)CCCC2)NC1CC[NH+](CC2CC2)CC1 ZINC000328747785 539760267 /nfs/dbraw/zinc/76/02/67/539760267.db2.gz BCBALKXRPCSXPO-UHFFFAOYSA-N 2 2 331.464 2.097 10 30 EEEELP CC(C)(C)c1cn2c([nH+]1)CC[C@H]([NH+]=C([O-])N1CC[N@@H+]3CCC[C@H]3C1)C2 ZINC000329423314 539774435 /nfs/dbraw/zinc/77/44/35/539774435.db2.gz FZKUKHAADDUTKO-GJZGRUSLSA-N 2 2 345.491 2.189 10 30 EEEELP CC(C)(C)c1cn2c([nH+]1)CC[C@H]([NH+]=C([O-])N1CC[N@H+]3CCC[C@H]3C1)C2 ZINC000329423314 539774439 /nfs/dbraw/zinc/77/44/39/539774439.db2.gz FZKUKHAADDUTKO-GJZGRUSLSA-N 2 2 345.491 2.189 10 30 EEEELP Cc1cc(C#N)cc(N2CC[NH+](C3CC[NH+](C(C)C)CC3)CC2)n1 ZINC000342777622 161090154 /nfs/dbraw/zinc/09/01/54/161090154.db2.gz JHPSUSRJYHQPAD-UHFFFAOYSA-N 2 2 327.476 2.257 10 30 EEEELP Cc1nnc(NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)c(C#N)c1C ZINC000301480231 465970768 /nfs/dbraw/zinc/97/07/68/465970768.db2.gz YHCPUKQXEBXOSO-UHFFFAOYSA-N 2 2 342.491 2.327 10 30 EEEELP C=CCn1cc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)nn1 ZINC000424293833 467024019 /nfs/dbraw/zinc/02/40/19/467024019.db2.gz JPWPEGLOZFDMEW-APWZRJJASA-N 2 2 325.460 2.464 10 30 EEEELP C=CCn1cc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)nn1 ZINC000424293833 467024021 /nfs/dbraw/zinc/02/40/21/467024021.db2.gz JPWPEGLOZFDMEW-APWZRJJASA-N 2 2 325.460 2.464 10 30 EEEELP C[N@H+](Cc1ccnc(C#N)c1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000614608063 468987475 /nfs/dbraw/zinc/98/74/75/468987475.db2.gz YCUSLHYJCTXJGY-HXUWFJFHSA-N 2 2 336.439 2.022 10 30 EEEELP C[N@@H+](Cc1ccnc(C#N)c1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000614608063 468987481 /nfs/dbraw/zinc/98/74/81/468987481.db2.gz YCUSLHYJCTXJGY-HXUWFJFHSA-N 2 2 336.439 2.022 10 30 EEEELP C[NH+](Cc1ccnc(C#N)c1)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000614608063 468987485 /nfs/dbraw/zinc/98/74/85/468987485.db2.gz YCUSLHYJCTXJGY-HXUWFJFHSA-N 2 2 336.439 2.022 10 30 EEEELP C[NH+](Cc1ccnc(C#N)c1)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000614608063 468987490 /nfs/dbraw/zinc/98/74/90/468987490.db2.gz YCUSLHYJCTXJGY-HXUWFJFHSA-N 2 2 336.439 2.022 10 30 EEEELP CC1(C)NC(=O)CC[C@@H]1[NH2+]C1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593695801 469098557 /nfs/dbraw/zinc/09/85/57/469098557.db2.gz UYJDOQPKTPEUJU-SFHVURJKSA-N 2 2 340.471 2.169 10 30 EEEELP C=CC[C@@H]1CC[C@H]([NH2+]CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000651692538 471085308 /nfs/dbraw/zinc/08/53/08/471085308.db2.gz JEWIZHGNQRGDSD-MSOLQXFVSA-N 2 2 342.487 2.455 10 30 EEEELP C#CC[NH+]1CCC(NC(=O)[C@@H](c2ccc(Cl)cc2)[NH+](C)C)CC1 ZINC000928648560 686019204 /nfs/dbraw/zinc/01/92/04/686019204.db2.gz MWWOURMJYMMMQT-QGZVFWFLSA-N 2 2 333.863 2.157 10 30 EEEELP C[N@@H+]1CCCC[C@H]1C(=O)NCC[NH+](CC#Cc1ccccc1)C1CC1 ZINC001266597275 1176912850 /nfs/dbraw/zinc/91/28/50/1176912850.db2.gz YDFOUEHSYILXAE-FQEVSTJZSA-N 2 2 339.483 2.103 10 30 EEEELP C[N@H+]1CCCC[C@H]1C(=O)NCC[NH+](CC#Cc1ccccc1)C1CC1 ZINC001266597275 1176912854 /nfs/dbraw/zinc/91/28/54/1176912854.db2.gz YDFOUEHSYILXAE-FQEVSTJZSA-N 2 2 339.483 2.103 10 30 EEEELP C[NH+]1CCCC[C@H]1C(=O)NCC[N@H+](CC#Cc1ccccc1)C1CC1 ZINC001266597275 1176912859 /nfs/dbraw/zinc/91/28/59/1176912859.db2.gz YDFOUEHSYILXAE-FQEVSTJZSA-N 2 2 339.483 2.103 10 30 EEEELP C[NH+]1CCCC[C@H]1C(=O)NCC[N@@H+](CC#Cc1ccccc1)C1CC1 ZINC001266597275 1176912865 /nfs/dbraw/zinc/91/28/65/1176912865.db2.gz YDFOUEHSYILXAE-FQEVSTJZSA-N 2 2 339.483 2.103 10 30 EEEELP CCC[N@H+](C)CC(=O)N(C)C[C@@H]1CC[NH+]1CC#Cc1ccc(F)cc1 ZINC001691068563 1177507568 /nfs/dbraw/zinc/50/75/68/1177507568.db2.gz PAUXZRWFJNRYNF-IBGZPJMESA-N 2 2 345.462 2.052 10 30 EEEELP CCC[N@@H+](C)CC(=O)N(C)C[C@@H]1CC[NH+]1CC#Cc1ccc(F)cc1 ZINC001691068563 1177507572 /nfs/dbraw/zinc/50/75/72/1177507572.db2.gz PAUXZRWFJNRYNF-IBGZPJMESA-N 2 2 345.462 2.052 10 30 EEEELP CCC[NH+](C)CC(=O)N(C)C[C@@H]1CC[N@@H+]1CC#Cc1ccc(F)cc1 ZINC001691068563 1177507574 /nfs/dbraw/zinc/50/75/74/1177507574.db2.gz PAUXZRWFJNRYNF-IBGZPJMESA-N 2 2 345.462 2.052 10 30 EEEELP CCC[NH+](C)CC(=O)N(C)C[C@@H]1CC[N@H+]1CC#Cc1ccc(F)cc1 ZINC001691068563 1177507578 /nfs/dbraw/zinc/50/75/78/1177507578.db2.gz PAUXZRWFJNRYNF-IBGZPJMESA-N 2 2 345.462 2.052 10 30 EEEELP C=C(C)C[N@H+]1CC[C@H](N(CCC)C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001267545126 1179324650 /nfs/dbraw/zinc/32/46/50/1179324650.db2.gz ZCXUHGDGIFMJCF-IRXDYDNUSA-N 2 2 330.476 2.335 10 30 EEEELP C=C(C)C[N@@H+]1CC[C@H](N(CCC)C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001267545126 1179324657 /nfs/dbraw/zinc/32/46/57/1179324657.db2.gz ZCXUHGDGIFMJCF-IRXDYDNUSA-N 2 2 330.476 2.335 10 30 EEEELP CC#CC[NH2+]C[C@]1(NC(=O)Cc2c[nH+]ccc2OC)CCCC[C@@H]1C ZINC001267869526 1180658035 /nfs/dbraw/zinc/65/80/35/1180658035.db2.gz FCMBDNNHQXCRKX-OXJNMPFZSA-N 2 2 343.471 2.311 10 30 EEEELP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](C[C@@H](C)CC(C)C)C1 ZINC001481526559 1181647117 /nfs/dbraw/zinc/64/71/17/1181647117.db2.gz MODLWGTZKPOKLZ-OTWHNJEPSA-N 2 2 333.520 2.347 10 30 EEEELP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](C[C@@H](C)CC(C)C)C1 ZINC001481526559 1181647119 /nfs/dbraw/zinc/64/71/19/1181647119.db2.gz MODLWGTZKPOKLZ-OTWHNJEPSA-N 2 2 333.520 2.347 10 30 EEEELP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC[NH+](C[C@@H](C)CC(C)C)C1 ZINC001481526559 1181647121 /nfs/dbraw/zinc/64/71/21/1181647121.db2.gz MODLWGTZKPOKLZ-OTWHNJEPSA-N 2 2 333.520 2.347 10 30 EEEELP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC[NH+](C[C@@H](C)CC(C)C)C1 ZINC001481526559 1181647125 /nfs/dbraw/zinc/64/71/25/1181647125.db2.gz MODLWGTZKPOKLZ-OTWHNJEPSA-N 2 2 333.520 2.347 10 30 EEEELP CC#CC[NH2+]C[C@@H](NC(=O)CCc1c[nH+]cn1C)C1CCCCC1 ZINC001482414445 1185651318 /nfs/dbraw/zinc/65/13/18/1185651318.db2.gz UTIQQVOZFFNCRN-GOSISDBHSA-N 2 2 330.476 2.031 10 30 EEEELP CC#CC[N@@H+]1CCC[C@](C)(CNC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001270957951 1185772145 /nfs/dbraw/zinc/77/21/45/1185772145.db2.gz DIRKPJRIMHPDDK-HXUWFJFHSA-N 2 2 342.487 2.004 10 30 EEEELP CC#CC[N@H+]1CCC[C@](C)(CNC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001270957951 1185772148 /nfs/dbraw/zinc/77/21/48/1185772148.db2.gz DIRKPJRIMHPDDK-HXUWFJFHSA-N 2 2 342.487 2.004 10 30 EEEELP C=CC[NH2+]C[C@H](C1CC1)N(C)C(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC001485825824 1193467240 /nfs/dbraw/zinc/46/72/40/1193467240.db2.gz BYPXXLGIGJRMMR-QGZVFWFLSA-N 2 2 326.444 2.198 10 30 EEEELP C=CCCC[NH+]1CCOC[C@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001272893301 1193593287 /nfs/dbraw/zinc/59/32/87/1193593287.db2.gz KNPPETVKXBVNOX-MSOLQXFVSA-N 2 2 337.508 2.033 10 30 EEEELP C=CCCC[NH+]1CCOC[C@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001272893301 1193593289 /nfs/dbraw/zinc/59/32/89/1193593289.db2.gz KNPPETVKXBVNOX-MSOLQXFVSA-N 2 2 337.508 2.033 10 30 EEEELP C=CCCC[N@H+]1CCOC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001272893301 1193593291 /nfs/dbraw/zinc/59/32/91/1193593291.db2.gz KNPPETVKXBVNOX-MSOLQXFVSA-N 2 2 337.508 2.033 10 30 EEEELP C=CCCC[N@@H+]1CCOC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001272893301 1193593293 /nfs/dbraw/zinc/59/32/93/1193593293.db2.gz KNPPETVKXBVNOX-MSOLQXFVSA-N 2 2 337.508 2.033 10 30 EEEELP C=CCOCC[NH+]1CC(N(C)C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001483876042 1191104114 /nfs/dbraw/zinc/10/41/14/1191104114.db2.gz PZXGXNPOYWFYOE-IBGZPJMESA-N 2 2 349.519 2.129 10 30 EEEELP C=CCOCC[NH+]1CC(N(C)C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001483876042 1191104115 /nfs/dbraw/zinc/10/41/15/1191104115.db2.gz PZXGXNPOYWFYOE-IBGZPJMESA-N 2 2 349.519 2.129 10 30 EEEELP C=C(C)C[NH2+]C1(CNC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)CCOCC1 ZINC001484185725 1191264102 /nfs/dbraw/zinc/26/41/02/1191264102.db2.gz VQSMYROOEJNLLA-QGZVFWFLSA-N 2 2 348.491 2.301 10 30 EEEELP C=CC[NH2+]CCN(Cc1ccccc1)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001484398895 1191331316 /nfs/dbraw/zinc/33/13/16/1191331316.db2.gz PDCVUHBEEZRTJN-SFHVURJKSA-N 2 2 338.455 2.250 10 30 EEEELP CN(CCC[N@H+](C)CC#Cc1ccccc1)C(=O)CCn1cc[nH+]c1 ZINC001484752161 1191508380 /nfs/dbraw/zinc/50/83/80/1191508380.db2.gz NNPHWRDKQIPEGT-UHFFFAOYSA-N 2 2 338.455 2.105 10 30 EEEELP CN(CCC[N@@H+](C)CC#Cc1ccccc1)C(=O)CCn1cc[nH+]c1 ZINC001484752161 1191508382 /nfs/dbraw/zinc/50/83/82/1191508382.db2.gz NNPHWRDKQIPEGT-UHFFFAOYSA-N 2 2 338.455 2.105 10 30 EEEELP C#CC[NH2+][C@@H](C)c1ccc(CNC(=O)[C@H]2CCn3cc[nH+]c3C2)cc1 ZINC001272693034 1191588541 /nfs/dbraw/zinc/58/85/41/1191588541.db2.gz ZTNRCHBHAXYFIX-YJBOKZPZSA-N 2 2 336.439 2.046 10 30 EEEELP C=CC[N@@H+](CC)CC1CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC001485031220 1191621434 /nfs/dbraw/zinc/62/14/34/1191621434.db2.gz VTRGXIFNJZFRIK-QGZVFWFLSA-N 2 2 330.476 2.192 10 30 EEEELP C=CC[N@H+](CC)CC1CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC001485031220 1191621435 /nfs/dbraw/zinc/62/14/35/1191621435.db2.gz VTRGXIFNJZFRIK-QGZVFWFLSA-N 2 2 330.476 2.192 10 30 EEEELP C=CCCC[N@@H+](C)C[C@H]1CCCN1C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001485064154 1191633735 /nfs/dbraw/zinc/63/37/35/1191633735.db2.gz ZTBGGPNGUQFLFQ-IAGOWNOFSA-N 2 2 330.476 2.335 10 30 EEEELP C=CCCC[N@H+](C)C[C@H]1CCCN1C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001485064154 1191633736 /nfs/dbraw/zinc/63/37/36/1191633736.db2.gz ZTBGGPNGUQFLFQ-IAGOWNOFSA-N 2 2 330.476 2.335 10 30 EEEELP C=C(C)CC[N@@H+](C)C[C@H]1CCCN1C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001485064109 1191634055 /nfs/dbraw/zinc/63/40/55/1191634055.db2.gz YZRZZDRTCLYNGS-DLBZAZTESA-N 2 2 330.476 2.335 10 30 EEEELP C=C(C)CC[N@H+](C)C[C@H]1CCCN1C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001485064109 1191634056 /nfs/dbraw/zinc/63/40/56/1191634056.db2.gz YZRZZDRTCLYNGS-DLBZAZTESA-N 2 2 330.476 2.335 10 30 EEEELP CN(CC(C)(C)C[NH2+]Cc1cccc(C#N)c1)C(=O)Cn1cc[nH+]c1 ZINC001485266119 1191711445 /nfs/dbraw/zinc/71/14/45/1191711445.db2.gz SIBZEAYGIQTYQG-UHFFFAOYSA-N 2 2 339.443 2.029 10 30 EEEELP C=C(Cl)C[C@@H]([NH3+])C(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000876737358 1199748889 /nfs/dbraw/zinc/74/88/89/1199748889.db2.gz RXQIHUJMASVZIP-CYBMUJFWSA-N 2 2 334.807 2.371 10 30 EEEELP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000876891867 1199807492 /nfs/dbraw/zinc/80/74/92/1199807492.db2.gz DYWBESOBTONQJW-SOUVJXGZSA-N 2 2 343.805 2.296 10 30 EEEELP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000876891867 1199807497 /nfs/dbraw/zinc/80/74/97/1199807497.db2.gz DYWBESOBTONQJW-SOUVJXGZSA-N 2 2 343.805 2.296 10 30 EEEELP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000876891866 1199807546 /nfs/dbraw/zinc/80/75/46/1199807546.db2.gz DYWBESOBTONQJW-RRFJBIMHSA-N 2 2 343.805 2.296 10 30 EEEELP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000876891866 1199807551 /nfs/dbraw/zinc/80/75/51/1199807551.db2.gz DYWBESOBTONQJW-RRFJBIMHSA-N 2 2 343.805 2.296 10 30 EEEELP C=CCCC[NH2+]C1(C)CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001274374990 1205013567 /nfs/dbraw/zinc/01/35/67/1205013567.db2.gz HFRUCDQWKBTWLC-HZPDHXFCSA-N 2 2 330.476 2.461 10 30 EEEELP C=CCCC[N@@H+](C)C[C@@H](C)NC(=O)[C@@H]1COCC[NH+]1C1CCCC1 ZINC001275629117 1205451831 /nfs/dbraw/zinc/45/18/31/1205451831.db2.gz KCIXLAXOZRBUPX-AEFFLSMTSA-N 2 2 337.508 2.033 10 30 EEEELP C=CCCC[N@H+](C)C[C@@H](C)NC(=O)[C@@H]1COCC[NH+]1C1CCCC1 ZINC001275629117 1205451833 /nfs/dbraw/zinc/45/18/33/1205451833.db2.gz KCIXLAXOZRBUPX-AEFFLSMTSA-N 2 2 337.508 2.033 10 30 EEEELP C=CCCC[NH+](C)C[C@@H](C)NC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC001275629117 1205451834 /nfs/dbraw/zinc/45/18/34/1205451834.db2.gz KCIXLAXOZRBUPX-AEFFLSMTSA-N 2 2 337.508 2.033 10 30 EEEELP C=CCCC[NH+](C)C[C@@H](C)NC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC001275629117 1205451835 /nfs/dbraw/zinc/45/18/35/1205451835.db2.gz KCIXLAXOZRBUPX-AEFFLSMTSA-N 2 2 337.508 2.033 10 30 EEEELP C#CC[NH2+]CCCOC1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)CC1 ZINC001276164827 1205808236 /nfs/dbraw/zinc/80/82/36/1205808236.db2.gz ROZFVJDBYHPYHP-UHFFFAOYSA-N 2 2 343.471 2.241 10 30 EEEELP CC[C@@H]([NH2+]C[C@@H](C)CN1CC[NH+](C)CC1)c1cccc(C#N)c1O ZINC000924947904 1206054567 /nfs/dbraw/zinc/05/45/67/1206054567.db2.gz DSNNEQGPVKSDDV-CRAIPNDOSA-N 2 2 330.476 2.188 10 30 EEEELP C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)C#CC3CC[NH2+]CC3)n2)C1 ZINC000852854844 1292217046 /nfs/dbraw/zinc/21/70/46/1292217046.db2.gz RLOFYBSLUPSJPI-CQSZACIVSA-N 2 2 346.500 2.317 10 30 EEEELP C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)C#CC3CC[NH2+]CC3)n2)C1 ZINC000852854844 1292217054 /nfs/dbraw/zinc/21/70/54/1292217054.db2.gz RLOFYBSLUPSJPI-CQSZACIVSA-N 2 2 346.500 2.317 10 30 EEEELP C=C(C)C[N@@H+](CCOC)C1CCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001277413774 1302924771 /nfs/dbraw/zinc/92/47/71/1302924771.db2.gz ZEXRPENTPUBHHG-MRXNPFEDSA-N 2 2 348.491 2.104 10 30 EEEELP C=C(C)C[N@H+](CCOC)C1CCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001277413774 1302924773 /nfs/dbraw/zinc/92/47/73/1302924773.db2.gz ZEXRPENTPUBHHG-MRXNPFEDSA-N 2 2 348.491 2.104 10 30 EEEELP C=C(C)C[N@@H+](CCOC)C1CCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001277413774 1302924776 /nfs/dbraw/zinc/92/47/76/1302924776.db2.gz ZEXRPENTPUBHHG-MRXNPFEDSA-N 2 2 348.491 2.104 10 30 EEEELP C=C(C)C[N@H+](CCOC)C1CCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001277413774 1302924786 /nfs/dbraw/zinc/92/47/86/1302924786.db2.gz ZEXRPENTPUBHHG-MRXNPFEDSA-N 2 2 348.491 2.104 10 30 EEEELP C[NH+](C)C1(C(=O)N[C@H]2CCC[N@H+](CC#Cc3ccccc3)C2)CCC1 ZINC001265216619 1322990154 /nfs/dbraw/zinc/99/01/54/1322990154.db2.gz NHEKVVSBSSLBRF-IBGZPJMESA-N 2 2 339.483 2.103 10 30 EEEELP C[NH+](C)C1(C(=O)N[C@H]2CCC[N@@H+](CC#Cc3ccccc3)C2)CCC1 ZINC001265216619 1322990155 /nfs/dbraw/zinc/99/01/55/1322990155.db2.gz NHEKVVSBSSLBRF-IBGZPJMESA-N 2 2 339.483 2.103 10 30 EEEELP C#CCC[N@H+]1C[C@H](NC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C(C)(C)C1 ZINC001282811546 1325794331 /nfs/dbraw/zinc/79/43/31/1325794331.db2.gz PICFGUTUFDOGNE-SJORKVTESA-N 2 2 330.476 2.320 10 30 EEEELP C#CCC[N@@H+]1C[C@H](NC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C(C)(C)C1 ZINC001282811546 1325794333 /nfs/dbraw/zinc/79/43/33/1325794333.db2.gz PICFGUTUFDOGNE-SJORKVTESA-N 2 2 330.476 2.320 10 30 EEEELP C=C(C)CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC001283068765 1325907674 /nfs/dbraw/zinc/90/76/74/1325907674.db2.gz CBSHQRVQCLKLKZ-LNLFQRSKSA-N 2 2 349.519 2.080 10 30 EEEELP C=C(C)CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2COCC[N@H+]2C2CCCC2)C1 ZINC001283068765 1325907677 /nfs/dbraw/zinc/90/76/77/1325907677.db2.gz CBSHQRVQCLKLKZ-LNLFQRSKSA-N 2 2 349.519 2.080 10 30 EEEELP CC#CC[NH2+]C1(CNC(=O)C(C)C)CC[NH+](Cc2ccccc2)CC1 ZINC001284731478 1326686835 /nfs/dbraw/zinc/68/68/35/1326686835.db2.gz JGSMPKUJNVLGCL-UHFFFAOYSA-N 2 2 341.499 2.406 10 30 EEEELP C=C(C)CC[N@H+](C)CCCNC(=O)[C@@H]1COCC[NH+]1C1CCCC1 ZINC001316844475 1331929705 /nfs/dbraw/zinc/92/97/05/1331929705.db2.gz QQWSTNMPNJHNIC-SFHVURJKSA-N 2 2 337.508 2.034 10 30 EEEELP C=C(C)CC[N@@H+](C)CCCNC(=O)[C@@H]1COCC[NH+]1C1CCCC1 ZINC001316844475 1331929708 /nfs/dbraw/zinc/92/97/08/1331929708.db2.gz QQWSTNMPNJHNIC-SFHVURJKSA-N 2 2 337.508 2.034 10 30 EEEELP C=C(C)CC[NH+](C)CCCNC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC001316844475 1331929710 /nfs/dbraw/zinc/92/97/10/1331929710.db2.gz QQWSTNMPNJHNIC-SFHVURJKSA-N 2 2 337.508 2.034 10 30 EEEELP C=C(C)CC[NH+](C)CCCNC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC001316844475 1331929713 /nfs/dbraw/zinc/92/97/13/1331929713.db2.gz QQWSTNMPNJHNIC-SFHVURJKSA-N 2 2 337.508 2.034 10 30 EEEELP C=CC[N@H+](CC1CC1)C1CCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC001323733307 1333526675 /nfs/dbraw/zinc/52/66/75/1333526675.db2.gz DYVXHWXTHOUWDR-QGZVFWFLSA-N 2 2 342.487 2.335 10 30 EEEELP C=CC[N@@H+](CC1CC1)C1CCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC001323733307 1333526678 /nfs/dbraw/zinc/52/66/78/1333526678.db2.gz DYVXHWXTHOUWDR-QGZVFWFLSA-N 2 2 342.487 2.335 10 30 EEEELP C#CCN(C(=O)CCc1c[nH+]cn1C)C1CC[NH+](CCCC)CC1 ZINC001324440782 1333684041 /nfs/dbraw/zinc/68/40/41/1333684041.db2.gz ZNRIZCGQPOYLMC-UHFFFAOYSA-N 2 2 330.476 2.079 10 30 EEEELP C=CCCC[NH2+]C[C@H]1CCCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001566896428 1342647997 /nfs/dbraw/zinc/64/79/97/1342647997.db2.gz CYVLYBLLNMCPCE-SJORKVTESA-N 2 2 330.476 2.240 10 30 EEEELP C=CC[NH2+]C[C@@H](NC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1)C1CCCC1 ZINC001569610999 1342907974 /nfs/dbraw/zinc/90/79/74/1342907974.db2.gz YUSTXEAOJOWXJM-MOPGFXCFSA-N 2 2 349.519 2.080 10 30 EEEELP C=CC[NH2+]C[C@@H](NC(=O)[C@@H]1COCC[N@H+]1C1CCCC1)C1CCCC1 ZINC001569610999 1342907976 /nfs/dbraw/zinc/90/79/76/1342907976.db2.gz YUSTXEAOJOWXJM-MOPGFXCFSA-N 2 2 349.519 2.080 10 30 EEEELP C#CC[NH2+]CC[C@H]1[C@H](C)CCCN1C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001649434325 1353502075 /nfs/dbraw/zinc/50/20/75/1353502075.db2.gz XYIUFRRLOZCEAE-AEFFLSMTSA-N 2 2 342.487 2.002 10 30 EEEELP C[C@H](CC(=O)NC[C@H](C)[NH2+]CC#Cc1ccc(F)cc1)n1cc[nH+]c1 ZINC001662350158 1354784251 /nfs/dbraw/zinc/78/42/51/1354784251.db2.gz IBAJJHBGIKEXKN-JKSUJKDBSA-N 2 2 342.418 2.119 10 30 EEEELP CC#CC[NH2+][C@H]1CCC[C@@H](NC(=O)Cc2cn3cccc(C)c3[nH+]2)C1 ZINC001662784912 1354846207 /nfs/dbraw/zinc/84/62/07/1354846207.db2.gz KRTCSULCRUSVDC-DLBZAZTESA-N 2 2 338.455 2.226 10 30 EEEELP C[C@H](CC(=O)NCC[C@H](C)[NH2+]CC#Cc1ccccc1)n1cc[nH+]c1 ZINC001662984401 1354883349 /nfs/dbraw/zinc/88/33/49/1354883349.db2.gz SCIKGPFNFQXWSH-ZWKOTPCHSA-N 2 2 338.455 2.370 10 30 EEEELP CC#CC[N@H+](C)CCC1CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC001667413330 1355737220 /nfs/dbraw/zinc/73/72/20/1355737220.db2.gz MVLIQYNHSGRXTF-GOSISDBHSA-N 2 2 342.487 2.029 10 30 EEEELP CC#CC[N@@H+](C)CCC1CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC001667413330 1355737224 /nfs/dbraw/zinc/73/72/24/1355737224.db2.gz MVLIQYNHSGRXTF-GOSISDBHSA-N 2 2 342.487 2.029 10 30 EEEELP CC#CC[N@H+](C)CCC1CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC001667413332 1355737338 /nfs/dbraw/zinc/73/73/38/1355737338.db2.gz MVLIQYNHSGRXTF-SFHVURJKSA-N 2 2 342.487 2.029 10 30 EEEELP CC#CC[N@@H+](C)CCC1CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC001667413332 1355737342 /nfs/dbraw/zinc/73/73/42/1355737342.db2.gz MVLIQYNHSGRXTF-SFHVURJKSA-N 2 2 342.487 2.029 10 30 EEEELP C#CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)CCC[NH+]1CCCC1 ZINC001673639437 1356722662 /nfs/dbraw/zinc/72/26/62/1356722662.db2.gz JBKZKXXBKKCYKY-FQEVSTJZSA-N 2 2 339.483 2.039 10 30 EEEELP C#CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)CCC[NH+]1CCCC1 ZINC001673639437 1356722663 /nfs/dbraw/zinc/72/26/63/1356722663.db2.gz JBKZKXXBKKCYKY-FQEVSTJZSA-N 2 2 339.483 2.039 10 30 EEEELP CC#CC[N@@H+]1CC[C@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C(C)(C)C1 ZINC000940765904 779245594 /nfs/dbraw/zinc/24/55/94/779245594.db2.gz YUJQTHIQMWPCRC-KRWDZBQOSA-N 2 2 342.487 2.002 10 30 EEEELP CC#CC[N@H+]1CC[C@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C(C)(C)C1 ZINC000940765904 779245601 /nfs/dbraw/zinc/24/56/01/779245601.db2.gz YUJQTHIQMWPCRC-KRWDZBQOSA-N 2 2 342.487 2.002 10 30 EEEELP C=CCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)C(C)(C)C1 ZINC000940851621 779434436 /nfs/dbraw/zinc/43/44/36/779434436.db2.gz ZPSKFLHCQDVTPW-DOTOQJQBSA-N 2 2 330.476 2.238 10 30 EEEELP C=CCC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)C(C)(C)C1 ZINC000940851621 779434442 /nfs/dbraw/zinc/43/44/42/779434442.db2.gz ZPSKFLHCQDVTPW-DOTOQJQBSA-N 2 2 330.476 2.238 10 30 EEEELP C[C@H](CC(=O)N[C@@H](C)C[NH2+]Cc1ccc(C#N)cc1F)n1cc[nH+]c1 ZINC001439258807 1091910762 /nfs/dbraw/zinc/91/07/62/1091910762.db2.gz CXEJCRZAYUBGJO-UONOGXRCSA-N 2 2 343.406 2.139 10 30 EEEELP C=CCC[NH2+]C1CCC(NC(=O)c2cc([C@@H]3CCC[N@H+]3C)n[nH]2)CC1 ZINC001480402500 1100215210 /nfs/dbraw/zinc/21/52/10/1100215210.db2.gz FUPRNCZRLUCNTF-JMLCCBQJSA-N 2 2 345.491 2.383 10 30 EEEELP C=CCC[NH2+]C1CCC(NC(=O)c2cc([C@@H]3CCC[N@@H+]3C)n[nH]2)CC1 ZINC001480402500 1100215213 /nfs/dbraw/zinc/21/52/13/1100215213.db2.gz FUPRNCZRLUCNTF-JMLCCBQJSA-N 2 2 345.491 2.383 10 30 EEEELP COCC#CC[NH2+][C@@H]1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)C[C@@H]1C ZINC001496352686 1100946395 /nfs/dbraw/zinc/94/63/95/1100946395.db2.gz VBKIHAZNPMUKOS-MAUKXSAKSA-N 2 2 343.471 2.097 10 30 EEEELP C=CCC[C@@H](C)[N@H+](C)C[C@H]1CCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC001494147407 1103602794 /nfs/dbraw/zinc/60/27/94/1103602794.db2.gz MCKLJYUPFDCPPD-IAGOWNOFSA-N 2 2 332.492 2.488 10 30 EEEELP C=CCC[C@@H](C)[N@@H+](C)C[C@H]1CCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC001494147407 1103602795 /nfs/dbraw/zinc/60/27/95/1103602795.db2.gz MCKLJYUPFDCPPD-IAGOWNOFSA-N 2 2 332.492 2.488 10 30 EEEELP C=C(C)CC[NH2+]CC(C)(C)CN(C)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001505819972 1114213638 /nfs/dbraw/zinc/21/36/38/1114213638.db2.gz FTOFETNPMIKGOH-INIZCTEOSA-N 2 2 332.492 2.486 10 30 EEEELP C=CCCC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCn3cc[nH+]c3C1)CC2 ZINC001568250800 1124385637 /nfs/dbraw/zinc/38/56/37/1124385637.db2.gz SVSPJVPJSRNBBM-QGZVFWFLSA-N 2 2 342.487 2.336 10 30 EEEELP C[C@H](C(=O)N[C@@H]1CCc2[nH+]c(C(C)(C)C)cn2C1)N1CC[NH+](C)CC1 ZINC000328739825 539760124 /nfs/dbraw/zinc/76/01/24/539760124.db2.gz MVRXKCLBELYPCZ-HUUCEWRRSA-N 2 2 347.507 2.088 10 30 EEEELP O=C(NCc1cn2c([nH+]1)CCCC2)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000329093362 539766967 /nfs/dbraw/zinc/76/69/67/539766967.db2.gz AODMGPSISGEKRD-MRXNPFEDSA-N 2 2 331.464 2.194 10 30 EEEELP Cc1cc(N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)cc(C#N)n1 ZINC000342775427 161089722 /nfs/dbraw/zinc/08/97/22/161089722.db2.gz FCJJIRBWUKVKLJ-JJTKIYQPSA-N 2 2 325.460 2.009 10 30 EEEELP Cc1cc(N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)cc(C#N)n1 ZINC000342775427 161089723 /nfs/dbraw/zinc/08/97/23/161089723.db2.gz FCJJIRBWUKVKLJ-JJTKIYQPSA-N 2 2 325.460 2.009 10 30 EEEELP C[C@H]([NH2+]C[C@@H]1CCCn2cc[nH+]c21)C(=O)NC1(C#N)CCCCC1 ZINC000089448595 278262066 /nfs/dbraw/zinc/26/20/66/278262066.db2.gz FRFPIHRDEQHXIL-GJZGRUSLSA-N 2 2 329.448 2.081 10 30 EEEELP C[N@@H+]1CCC[C@@H]1CNC([O-])=[NH+][C@@H]1CCc2[nH+]c(C(C)(C)C)cn2C1 ZINC000329248698 465279208 /nfs/dbraw/zinc/27/92/08/465279208.db2.gz WSQTZJIWIBGHRP-ZIAGYGMSSA-N 2 2 333.480 2.093 10 30 EEEELP C[N@H+]1CCC[C@@H]1CNC([O-])=[NH+][C@@H]1CCc2[nH+]c(C(C)(C)C)cn2C1 ZINC000329248698 465279213 /nfs/dbraw/zinc/27/92/13/465279213.db2.gz WSQTZJIWIBGHRP-ZIAGYGMSSA-N 2 2 333.480 2.093 10 30 EEEELP C[N@@H+]1CCC[C@@H]1CNC(=O)N[C@@H]1CCc2[nH+]c(C(C)(C)C)cn2C1 ZINC000329248698 465279218 /nfs/dbraw/zinc/27/92/18/465279218.db2.gz WSQTZJIWIBGHRP-ZIAGYGMSSA-N 2 2 333.480 2.093 10 30 EEEELP C[N@H+]1CCC[C@@H]1CNC(=O)N[C@@H]1CCc2[nH+]c(C(C)(C)C)cn2C1 ZINC000329248698 465279222 /nfs/dbraw/zinc/27/92/22/465279222.db2.gz WSQTZJIWIBGHRP-ZIAGYGMSSA-N 2 2 333.480 2.093 10 30 EEEELP C[NH+]1CCN([C@@H]2CCCC[N@H+](Cc3ccc(F)cc3C#N)C2)CC1 ZINC000158995838 463263739 /nfs/dbraw/zinc/26/37/39/463263739.db2.gz MGRIEGFIOMIZFO-LJQANCHMSA-N 2 2 330.451 2.299 10 30 EEEELP C[C@H]1C[C@H]([NH+](C)CC(=O)N(CCC#N)c2ccccc2)CC[N@@H+]1C ZINC000123025592 463310225 /nfs/dbraw/zinc/31/02/25/463310225.db2.gz CMBZJVSTHVKCBN-FUHWJXTLSA-N 2 2 328.460 2.348 10 30 EEEELP C[C@H]1C[C@H]([NH+](C)CC(=O)N(CCC#N)c2ccccc2)CC[N@H+]1C ZINC000123025592 463310231 /nfs/dbraw/zinc/31/02/31/463310231.db2.gz CMBZJVSTHVKCBN-FUHWJXTLSA-N 2 2 328.460 2.348 10 30 EEEELP C[C@H]1C[C@H]([N@H+](C)CC(=O)N(CCC#N)c2ccccc2)CC[NH+]1C ZINC000123025592 463310236 /nfs/dbraw/zinc/31/02/36/463310236.db2.gz CMBZJVSTHVKCBN-FUHWJXTLSA-N 2 2 328.460 2.348 10 30 EEEELP C[C@H]1C[C@H]([N@@H+](C)CC(=O)N(CCC#N)c2ccccc2)CC[NH+]1C ZINC000123025592 463310242 /nfs/dbraw/zinc/31/02/42/463310242.db2.gz CMBZJVSTHVKCBN-FUHWJXTLSA-N 2 2 328.460 2.348 10 30 EEEELP C=CCS(=O)(=O)CC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000278624142 463974760 /nfs/dbraw/zinc/97/47/60/463974760.db2.gz GLLHYKAYFXHNMM-REPLKXPHSA-N 2 2 348.512 2.372 10 30 EEEELP C=CCS(=O)(=O)CC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000278624142 463974763 /nfs/dbraw/zinc/97/47/63/463974763.db2.gz GLLHYKAYFXHNMM-REPLKXPHSA-N 2 2 348.512 2.372 10 30 EEEELP Cn1c2ccc(CNC(=O)[C@@H]([NH3+])CCCCC#N)cc2[nH+]c1C1CC1 ZINC000594469619 468597552 /nfs/dbraw/zinc/59/75/52/468597552.db2.gz GRFCAXANTQPERB-HNNXBMFYSA-N 2 2 339.443 2.478 10 30 EEEELP C=CC[C@@]1(C(=O)N2CC[NH+](Cc3ccccc3OC)CC2)CCC[NH2+]1 ZINC000662714797 472219694 /nfs/dbraw/zinc/21/96/94/472219694.db2.gz BWYBCGLVRJXSAM-FQEVSTJZSA-N 2 2 343.471 2.038 10 30 EEEELP C#CC[NH+]1CCN(C(=O)C[NH2+][C@H]2CCCC[C@H]2c2ccccc2)CC1 ZINC000776484155 577460650 /nfs/dbraw/zinc/46/06/50/577460650.db2.gz MQWUCLKNKIZQKO-PMACEKPBSA-N 2 2 339.483 2.080 10 30 EEEELP C=CCC[NH2+]C[C@H]1CCCN(C(=O)[C@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC001266804858 1177459118 /nfs/dbraw/zinc/45/91/18/1177459118.db2.gz PUVKNPFIXDJWSA-IEBWSBKVSA-N 2 2 349.519 2.034 10 30 EEEELP C=CCC[NH2+]C[C@H]1CCCN(C(=O)[C@H]2COCC[N@H+]2C2CCCC2)C1 ZINC001266804858 1177459125 /nfs/dbraw/zinc/45/91/25/1177459125.db2.gz PUVKNPFIXDJWSA-IEBWSBKVSA-N 2 2 349.519 2.034 10 30 EEEELP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC[N@H+]1CCCC(C)(C)C ZINC001691081988 1177544151 /nfs/dbraw/zinc/54/41/51/1177544151.db2.gz CUIJANZMMMFNSG-MSOLQXFVSA-N 2 2 333.520 2.491 10 30 EEEELP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+]1CCCC(C)(C)C ZINC001691081988 1177544156 /nfs/dbraw/zinc/54/41/56/1177544156.db2.gz CUIJANZMMMFNSG-MSOLQXFVSA-N 2 2 333.520 2.491 10 30 EEEELP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC[NH+]1CCCC(C)(C)C ZINC001691081988 1177544159 /nfs/dbraw/zinc/54/41/59/1177544159.db2.gz CUIJANZMMMFNSG-MSOLQXFVSA-N 2 2 333.520 2.491 10 30 EEEELP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC[NH+]1CCCC(C)(C)C ZINC001691081988 1177544162 /nfs/dbraw/zinc/54/41/62/1177544162.db2.gz CUIJANZMMMFNSG-MSOLQXFVSA-N 2 2 333.520 2.491 10 30 EEEELP CC#CC[NH2+]CCc1ccc(CNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)cc1 ZINC001267098571 1178235694 /nfs/dbraw/zinc/23/56/94/1178235694.db2.gz SXTGWUNHAAIDRE-MRXNPFEDSA-N 2 2 338.455 2.060 10 30 EEEELP CC#CC[NH2+]CCc1ccc(CNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)cc1 ZINC001267098571 1178235699 /nfs/dbraw/zinc/23/56/99/1178235699.db2.gz SXTGWUNHAAIDRE-MRXNPFEDSA-N 2 2 338.455 2.060 10 30 EEEELP C=CCC[C@@H](C)[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001691450033 1178843086 /nfs/dbraw/zinc/84/30/86/1178843086.db2.gz FPYBWTKWAOXAJU-VQHPVUNQSA-N 2 2 330.476 2.285 10 30 EEEELP C=CCC[C@@H](C)[NH2+]CCN(C)C(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC001267420215 1178986892 /nfs/dbraw/zinc/98/68/92/1178986892.db2.gz WCDCBBZFCRYZQJ-AEFFLSMTSA-N 2 2 337.508 2.033 10 30 EEEELP C=CCC[C@@H](C)[NH2+]CCN(C)C(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC001267420215 1178986894 /nfs/dbraw/zinc/98/68/94/1178986894.db2.gz WCDCBBZFCRYZQJ-AEFFLSMTSA-N 2 2 337.508 2.033 10 30 EEEELP C#CCC[N@H+]1CC[C@H](N(CCC)C(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001267458706 1179046391 /nfs/dbraw/zinc/04/63/91/1179046391.db2.gz DMGBRHHHUVQLPX-SFHVURJKSA-N 2 2 342.487 2.098 10 30 EEEELP C=CCC[NH2+]CC[C@H]1CCCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001267887397 1180691351 /nfs/dbraw/zinc/69/13/51/1180691351.db2.gz JGKCOHVCWOZSHM-IAGOWNOFSA-N 2 2 330.476 2.240 10 30 EEEELP C=C(C)CC[NH2+]CC=CCNC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1 ZINC001268541555 1183210604 /nfs/dbraw/zinc/21/06/04/1183210604.db2.gz GZUHSOYGSGWPNE-CHYADLBTSA-N 2 2 331.464 2.018 10 30 EEEELP C=C(C)CC[NH2+]CC=CCNC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1 ZINC001268541555 1183210606 /nfs/dbraw/zinc/21/06/06/1183210606.db2.gz GZUHSOYGSGWPNE-CHYADLBTSA-N 2 2 331.464 2.018 10 30 EEEELP CC#CC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@H](CC(C)C)n3cc[nH+]c3)[C@@H]2C1 ZINC001272079168 1187419198 /nfs/dbraw/zinc/41/91/98/1187419198.db2.gz ZAZUTGMDLGMEHS-GBESFXJTSA-N 2 2 342.487 2.416 10 30 EEEELP CC#CC[N@H+]1C[C@@H]2CCCN(C(=O)[C@H](CC(C)C)n3cc[nH+]c3)[C@@H]2C1 ZINC001272079168 1187419199 /nfs/dbraw/zinc/41/91/99/1187419199.db2.gz ZAZUTGMDLGMEHS-GBESFXJTSA-N 2 2 342.487 2.416 10 30 EEEELP C#CCC[N@H+]1CC[C@H](C2CCN(C(=O)CCCn3cc[nH+]c3)CC2)C1 ZINC001670918913 1193525973 /nfs/dbraw/zinc/52/59/73/1193525973.db2.gz NQAAQNRLFNDFSI-IBGZPJMESA-N 2 2 342.487 2.247 10 30 EEEELP C#CCC[N@@H+]1CC[C@H](C2CCN(C(=O)CCCn3cc[nH+]c3)CC2)C1 ZINC001670918913 1193525976 /nfs/dbraw/zinc/52/59/76/1193525976.db2.gz NQAAQNRLFNDFSI-IBGZPJMESA-N 2 2 342.487 2.247 10 30 EEEELP C=CCC[NH2+]C[C@H](NC(=O)[C@@H]1CCn2c[nH+]cc2C1)C1CCCC1 ZINC001484001546 1191151335 /nfs/dbraw/zinc/15/13/35/1191151335.db2.gz AZZKRVVNAYQQII-AEFFLSMTSA-N 2 2 330.476 2.286 10 30 EEEELP C=CCCC[NH2+]CC[C@H]1CCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001484526287 1191399060 /nfs/dbraw/zinc/39/90/60/1191399060.db2.gz DTGKNZRXJZIRJQ-DLBZAZTESA-N 2 2 330.476 2.240 10 30 EEEELP C=CCCC[NH2+][C@H]1CN(C(=O)[C@H]2CCn3cc[nH+]c3C2)CC1(C)C ZINC001486236559 1193763035 /nfs/dbraw/zinc/76/30/35/1193763035.db2.gz UPLSDBSDQROIMD-HOTGVXAUSA-N 2 2 330.476 2.238 10 30 EEEELP C=C(Cl)C[NH2+]C[C@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C(C)(C)C ZINC001486413351 1193922111 /nfs/dbraw/zinc/92/21/11/1193922111.db2.gz GDSRLLSGDDXPEC-NFAWXSAZSA-N 2 2 338.883 2.397 10 30 EEEELP CC(C)[C@@H](C[NH2+][C@@H](C)c1cccc(C#N)c1O)N1CC[NH+](C)CC1 ZINC000866226161 1201470661 /nfs/dbraw/zinc/47/06/61/1201470661.db2.gz GYUDQNCGJCVMNH-MAUKXSAKSA-N 2 2 330.476 2.186 10 30 EEEELP C=C(C)CC[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001275143139 1205266671 /nfs/dbraw/zinc/26/66/71/1205266671.db2.gz ICHYLISLQVNNLG-GVDBMIGSSA-N 2 2 330.476 2.413 10 30 EEEELP C=C(C)CC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001275143139 1205266673 /nfs/dbraw/zinc/26/66/73/1205266673.db2.gz ICHYLISLQVNNLG-GVDBMIGSSA-N 2 2 330.476 2.413 10 30 EEEELP CCCC[C@H](C[NH2+]CC#CCOC)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001276255374 1205858169 /nfs/dbraw/zinc/85/81/69/1205858169.db2.gz OBZTTYUCBWWZGH-MRXNPFEDSA-N 2 2 342.443 2.091 10 30 EEEELP C=CCCC[N@@H+](C)C[C@@H]1CCCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC001490764898 1291697878 /nfs/dbraw/zinc/69/78/78/1291697878.db2.gz HFYBDOCWMNKCFY-KRWDZBQOSA-N 2 2 332.492 2.489 10 30 EEEELP C=CCCC[N@H+](C)C[C@@H]1CCCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC001490764898 1291697889 /nfs/dbraw/zinc/69/78/89/1291697889.db2.gz HFYBDOCWMNKCFY-KRWDZBQOSA-N 2 2 332.492 2.489 10 30 EEEELP C=CCC[C@H](C)[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001264425757 1322698211 /nfs/dbraw/zinc/69/82/11/1322698211.db2.gz FPYBWTKWAOXAJU-QAETUUGQSA-N 2 2 330.476 2.285 10 30 EEEELP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCCC[N@H+]1CCCC(C)C ZINC001265647442 1323293467 /nfs/dbraw/zinc/29/34/67/1323293467.db2.gz OULTZDVHILUPKA-MOPGFXCFSA-N 2 2 333.520 2.491 10 30 EEEELP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCCC[N@@H+]1CCCC(C)C ZINC001265647442 1323293468 /nfs/dbraw/zinc/29/34/68/1323293468.db2.gz OULTZDVHILUPKA-MOPGFXCFSA-N 2 2 333.520 2.491 10 30 EEEELP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCC[NH+]1CCCC(C)C ZINC001265647442 1323293474 /nfs/dbraw/zinc/29/34/74/1323293474.db2.gz OULTZDVHILUPKA-MOPGFXCFSA-N 2 2 333.520 2.491 10 30 EEEELP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCC[NH+]1CCCC(C)C ZINC001265647442 1323293479 /nfs/dbraw/zinc/29/34/79/1323293479.db2.gz OULTZDVHILUPKA-MOPGFXCFSA-N 2 2 333.520 2.491 10 30 EEEELP C=CCCC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001266104853 1323669227 /nfs/dbraw/zinc/66/92/27/1323669227.db2.gz AZSOFGBHKBAGHV-DLBZAZTESA-N 2 2 330.476 2.335 10 30 EEEELP C=CCCC[N@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001266104853 1323669233 /nfs/dbraw/zinc/66/92/33/1323669233.db2.gz AZSOFGBHKBAGHV-DLBZAZTESA-N 2 2 330.476 2.335 10 30 EEEELP C=CCC[NH2+][C@@H](CCN(C)C(=O)[C@@H]1CCc2[nH+]ccn2C1)C(C)C ZINC001282557370 1325740982 /nfs/dbraw/zinc/74/09/82/1325740982.db2.gz CWNFONNAMHUDDH-SJORKVTESA-N 2 2 332.492 2.484 10 30 EEEELP C=CCCCCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C[NH+](C)C)on1 ZINC001318203900 1332487010 /nfs/dbraw/zinc/48/70/10/1332487010.db2.gz AAZMLZKLTNWJLV-HOTGVXAUSA-N 2 2 346.475 2.381 10 30 EEEELP C=CCCCCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C[NH+](C)C)on1 ZINC001318203900 1332487012 /nfs/dbraw/zinc/48/70/12/1332487012.db2.gz AAZMLZKLTNWJLV-HOTGVXAUSA-N 2 2 346.475 2.381 10 30 EEEELP C=C(C)C[NH2+]C[C@H]1CCC[C@H]1NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001320134949 1332835362 /nfs/dbraw/zinc/83/53/62/1332835362.db2.gz STFWZCWERUINRP-NVXWUHKLSA-N 2 2 330.476 2.213 10 30 EEEELP C#CCN(C(=O)Cc1c[nH+]c[nH]1)C1CC[NH+](Cc2ccccc2)CC1 ZINC001324426578 1333681031 /nfs/dbraw/zinc/68/10/31/1333681031.db2.gz LJBAHUXSDKQRAA-UHFFFAOYSA-N 2 2 336.439 2.079 10 30 EEEELP C=C(C)CC[NH2+][C@H](C)[C@H]1CCN(C(=O)Cc2c[nH+]ccc2OC)C1 ZINC001325419013 1333883001 /nfs/dbraw/zinc/88/30/01/1333883001.db2.gz SPAXCXDANTWSNR-CVEARBPZSA-N 2 2 331.460 2.426 10 30 EEEELP CC#CC[N@@H+](CC)CC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001328587514 1334484204 /nfs/dbraw/zinc/48/42/04/1334484204.db2.gz LDMROZCEUWWMFI-QZTJIDSGSA-N 2 2 342.487 2.107 10 30 EEEELP CC#CC[N@H+](CC)CC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001328587514 1334484207 /nfs/dbraw/zinc/48/42/07/1334484207.db2.gz LDMROZCEUWWMFI-QZTJIDSGSA-N 2 2 342.487 2.107 10 30 EEEELP C#CCC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)c3cccc4[nH+]ccn43)C[C@H]21 ZINC001332141087 1335741798 /nfs/dbraw/zinc/74/17/98/1335741798.db2.gz QDAVCVFDTFEDCT-BRWVUGGUSA-N 2 2 336.439 2.188 10 30 EEEELP C#CCC[NH2+]C1(CNC(=O)C(F)F)CC[NH+](Cc2ccccc2)CC1 ZINC001333015849 1335947922 /nfs/dbraw/zinc/94/79/22/1335947922.db2.gz VKBLWFBNYTWJID-UHFFFAOYSA-N 2 2 349.425 2.015 10 30 EEEELP C#CC[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001566739639 1342620233 /nfs/dbraw/zinc/62/02/33/1342620233.db2.gz ZMYFJQUZDYZQOX-ZWKOTPCHSA-N 2 2 330.476 2.274 10 30 EEEELP C#CC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001566739639 1342620239 /nfs/dbraw/zinc/62/02/39/1342620239.db2.gz ZMYFJQUZDYZQOX-ZWKOTPCHSA-N 2 2 330.476 2.274 10 30 EEEELP C=C(C)CC[NH2+]C[C@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@@H]1C(F)(F)F ZINC001677052143 1357271474 /nfs/dbraw/zinc/27/14/74/1357271474.db2.gz MARRDJSMHDXVKV-KBPBESRZSA-N 2 2 344.381 2.076 10 30 EEEELP C#CCC[N@H+]1CC[C@@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C(C)(C)C1 ZINC000940745744 779201321 /nfs/dbraw/zinc/20/13/21/779201321.db2.gz UCFSALHGUFWKQD-QGZVFWFLSA-N 2 2 338.455 2.496 10 30 EEEELP C#CCC[N@@H+]1CC[C@@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C(C)(C)C1 ZINC000940745744 779201330 /nfs/dbraw/zinc/20/13/30/779201330.db2.gz UCFSALHGUFWKQD-QGZVFWFLSA-N 2 2 338.455 2.496 10 30 EEEELP Cc1cc(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc(C)c1C#N ZINC000906661656 784062460 /nfs/dbraw/zinc/06/24/60/784062460.db2.gz SJPPQJVMYIKSOZ-QGZVFWFLSA-N 2 2 340.471 2.073 10 30 EEEELP Cc1cc(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc(C)c1C#N ZINC000906661656 784062466 /nfs/dbraw/zinc/06/24/66/784062466.db2.gz SJPPQJVMYIKSOZ-QGZVFWFLSA-N 2 2 340.471 2.073 10 30 EEEELP C[C@H](CCNC(=O)C[C@H](C)n1cc[nH+]c1)[NH2+]Cc1ccc(C#N)cc1 ZINC001437405070 1089679779 /nfs/dbraw/zinc/67/97/79/1089679779.db2.gz KPKUGPUVNHGBCG-CVEARBPZSA-N 2 2 339.443 2.390 10 30 EEEELP C=C(Cl)C[NH2+]C[C@H](NC(=O)[C@@H]1CCc2[nH+]ccn2C1)C(C)(C)C ZINC001449287113 1094236749 /nfs/dbraw/zinc/23/67/49/1094236749.db2.gz DGSMAQFHSWVZMT-KGLIPLIRSA-N 2 2 338.883 2.319 10 30 EEEELP CC#CC[NH+]1CCC(N(CCC)C(=O)CCc2[nH+]ccn2C)CC1 ZINC001479992676 1099455731 /nfs/dbraw/zinc/45/57/31/1099455731.db2.gz AADKFPFMSASVMP-UHFFFAOYSA-N 2 2 330.476 2.079 10 30 EEEELP O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1CCC[C@@H]1C[NH2+]CC#Cc1ccccc1 ZINC001495561306 1101272709 /nfs/dbraw/zinc/27/27/09/1101272709.db2.gz MLAVLUMCSPVKHI-GUDVDZBRSA-N 2 2 348.450 2.146 10 30 EEEELP C=C(Br)C[NH+](C)C[C@H]1CCCN1C(=O)C[N@@H+](C)C(C)C ZINC001447773441 1103290949 /nfs/dbraw/zinc/29/09/49/1103290949.db2.gz UWLLOXHZXVHSBO-CQSZACIVSA-N 2 2 346.313 2.158 10 30 EEEELP C=C(Br)C[NH+](C)C[C@H]1CCCN1C(=O)C[N@H+](C)C(C)C ZINC001447773441 1103290961 /nfs/dbraw/zinc/29/09/61/1103290961.db2.gz UWLLOXHZXVHSBO-CQSZACIVSA-N 2 2 346.313 2.158 10 30 EEEELP C=C(Br)C[N@@H+](C)C[C@H]1CCCN1C(=O)C[NH+](C)C(C)C ZINC001447773441 1103290972 /nfs/dbraw/zinc/29/09/72/1103290972.db2.gz UWLLOXHZXVHSBO-CQSZACIVSA-N 2 2 346.313 2.158 10 30 EEEELP C=C(Br)C[N@H+](C)C[C@H]1CCCN1C(=O)C[NH+](C)C(C)C ZINC001447773441 1103290980 /nfs/dbraw/zinc/29/09/80/1103290980.db2.gz UWLLOXHZXVHSBO-CQSZACIVSA-N 2 2 346.313 2.158 10 30 EEEELP C=CCCC[NH2+]C1(CNC(=O)Cc2cn3c([nH+]2)CCCC3)CCC1 ZINC001501952279 1113534486 /nfs/dbraw/zinc/53/44/86/1113534486.db2.gz MGYAZIJGJKMDKR-UHFFFAOYSA-N 2 2 330.476 2.357 10 30 EEEELP C=CCCC[N@H+]1CCC[C@H](NC(=O)c2cc(C[NH+](C)C)on2)[C@H]1C ZINC001507377027 1115235874 /nfs/dbraw/zinc/23/58/74/1115235874.db2.gz RNOGHJXZGNCGTB-ZBFHGGJFSA-N 2 2 334.464 2.285 10 30 EEEELP C=CCCC[N@@H+]1CCC[C@H](NC(=O)c2cc(C[NH+](C)C)on2)[C@H]1C ZINC001507377027 1115235877 /nfs/dbraw/zinc/23/58/77/1115235877.db2.gz RNOGHJXZGNCGTB-ZBFHGGJFSA-N 2 2 334.464 2.285 10 30 EEEELP CC#CC[N@H+]1CC[C@@H](N(CC)C(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001567938544 1124193742 /nfs/dbraw/zinc/19/37/42/1124193742.db2.gz HPIXVDIXBILNAE-MSOLQXFVSA-N 2 2 330.476 2.416 10 30 EEEELP CC#CC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001567938544 1124193744 /nfs/dbraw/zinc/19/37/44/1124193744.db2.gz HPIXVDIXBILNAE-MSOLQXFVSA-N 2 2 330.476 2.416 10 30 EEEELP C#CCC[N@@H+](C)CCC1CCN(C(=O)CCCn2cc[nH+]c2)CC1 ZINC001568441135 1124511820 /nfs/dbraw/zinc/51/18/20/1124511820.db2.gz QLXPBTZCYKYQSA-UHFFFAOYSA-N 2 2 330.476 2.247 10 30 EEEELP C#CCC[N@H+](C)CCC1CCN(C(=O)CCCn2cc[nH+]c2)CC1 ZINC001568441135 1124511825 /nfs/dbraw/zinc/51/18/25/1124511825.db2.gz QLXPBTZCYKYQSA-UHFFFAOYSA-N 2 2 330.476 2.247 10 30 EEEELP Cc1ccc(N2CC[NH+](C3CC[NH+](C(C)C)CC3)CC2)nc1C#N ZINC000344940235 161258013 /nfs/dbraw/zinc/25/80/13/161258013.db2.gz MOZOQAZDMZVSQW-UHFFFAOYSA-N 2 2 327.476 2.257 10 30 EEEELP C=CC[NH+](CC=C)[C@H](CNC(=O)N[C@H]1CCc2[nH+]c[nH]c2C1)C(C)C ZINC000358298774 465044649 /nfs/dbraw/zinc/04/46/49/465044649.db2.gz DSBKLEUAPGEPKV-MAUKXSAKSA-N 2 2 345.491 2.265 10 30 EEEELP C=CC[NH+](CC=C)[C@H](CNC(=O)N[C@H]1CCc2[nH]c[nH+]c2C1)C(C)C ZINC000358298774 465044656 /nfs/dbraw/zinc/04/46/56/465044656.db2.gz DSBKLEUAPGEPKV-MAUKXSAKSA-N 2 2 345.491 2.265 10 30 EEEELP Cn1cc[nH+]c1[C@@H](NC(=O)[C@H]([NH3+])CCCCC#N)c1ccc(F)cc1 ZINC000594440598 468589257 /nfs/dbraw/zinc/58/92/57/468589257.db2.gz GWZJNTYNGJNCFK-CVEARBPZSA-N 2 2 343.406 2.176 10 30 EEEELP N#CCCCC[C@@H]([NH3+])C(=O)N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000594445931 468591974 /nfs/dbraw/zinc/59/19/74/468591974.db2.gz NRFZQAWGWXFVGA-QGZVFWFLSA-N 2 2 348.878 2.395 10 30 EEEELP N#CCc1ccc(OC[C@H](O)C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)cc1 ZINC000610571778 469005745 /nfs/dbraw/zinc/00/57/45/469005745.db2.gz PWEBNOPPXRCJGH-QGZVFWFLSA-N 2 2 340.427 2.095 10 30 EEEELP C=C1C[C@H]2CC[C@@H](C1)N2C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000660713656 471457834 /nfs/dbraw/zinc/45/78/34/471457834.db2.gz UZSFCUPATJTMOQ-RYQLBKOJSA-N 2 2 332.492 2.048 10 30 EEEELP C=C1C[C@H]2CC[C@@H](C1)N2C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000660713656 471457840 /nfs/dbraw/zinc/45/78/40/471457840.db2.gz UZSFCUPATJTMOQ-RYQLBKOJSA-N 2 2 332.492 2.048 10 30 EEEELP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]([NH2+]C/C=C\Cl)c1ccccc1 ZINC001267361733 1178834296 /nfs/dbraw/zinc/83/42/96/1178834296.db2.gz GTNSDPTWCIJTDN-UZORRUGTSA-N 2 2 345.874 2.284 10 30 EEEELP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]([NH2+]C/C=C\Cl)c1ccccc1 ZINC001267361733 1178834306 /nfs/dbraw/zinc/83/43/06/1178834306.db2.gz GTNSDPTWCIJTDN-UZORRUGTSA-N 2 2 345.874 2.284 10 30 EEEELP C=CCC[C@H](C)[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001691450030 1178843273 /nfs/dbraw/zinc/84/32/73/1178843273.db2.gz FPYBWTKWAOXAJU-LUKYLMHMSA-N 2 2 330.476 2.285 10 30 EEEELP CC#CC[NH2+]C[C@@]1(NC(=O)Cc2c[nH+]ccc2OC)CCCC[C@H]1C ZINC001267869530 1180657930 /nfs/dbraw/zinc/65/79/30/1180657930.db2.gz FCMBDNNHQXCRKX-UZLBHIALSA-N 2 2 343.471 2.311 10 30 EEEELP C=CC[NH2+]CC[C@@H]1CCCCN1C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001268154890 1181851551 /nfs/dbraw/zinc/85/15/51/1181851551.db2.gz DWQUWASXNWXWBC-KRWDZBQOSA-N 2 2 330.476 2.309 10 30 EEEELP C=CCCC[NH2+]C[C@]1(C)CCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001270744652 1185362107 /nfs/dbraw/zinc/36/21/07/1185362107.db2.gz NRHFJIGCURYECS-LPHOPBHVSA-N 2 2 330.476 2.240 10 30 EEEELP N#CC[NH+](CC1CC1)C1CCN(C(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001670989213 1193539525 /nfs/dbraw/zinc/53/95/25/1193539525.db2.gz MMOIEADKBDXBIQ-OALUTQOASA-N 2 2 344.503 2.230 10 30 EEEELP N#CC[NH+](CC1CC1)C1CCN(C(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001670989213 1193539527 /nfs/dbraw/zinc/53/95/27/1193539527.db2.gz MMOIEADKBDXBIQ-OALUTQOASA-N 2 2 344.503 2.230 10 30 EEEELP N#CC[N@H+](CC1CC1)C1CCN(C(=O)[C@@H]2CCC[C@H]3CCC[NH+]32)CC1 ZINC001670989213 1193539530 /nfs/dbraw/zinc/53/95/30/1193539530.db2.gz MMOIEADKBDXBIQ-OALUTQOASA-N 2 2 344.503 2.230 10 30 EEEELP N#CC[N@@H+](CC1CC1)C1CCN(C(=O)[C@@H]2CCC[C@H]3CCC[NH+]32)CC1 ZINC001670989213 1193539533 /nfs/dbraw/zinc/53/95/33/1193539533.db2.gz MMOIEADKBDXBIQ-OALUTQOASA-N 2 2 344.503 2.230 10 30 EEEELP C=CCC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001272259790 1189362011 /nfs/dbraw/zinc/36/20/11/1189362011.db2.gz CRFXWTJQUWQWKU-DOTOQJQBSA-N 2 2 330.476 2.213 10 30 EEEELP C[C@H](NC(=O)CCc1c[nH]c[nH+]1)[C@H](C)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001409387822 1189614014 /nfs/dbraw/zinc/61/40/14/1189614014.db2.gz RKWWEYIIGGBFEC-STQMWFEESA-N 2 2 343.406 2.036 10 30 EEEELP C[C@H](NC(=O)CCc1c[nH+]c[nH]1)[C@H](C)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001409387822 1189614015 /nfs/dbraw/zinc/61/40/15/1189614015.db2.gz RKWWEYIIGGBFEC-STQMWFEESA-N 2 2 343.406 2.036 10 30 EEEELP C[C@H](CC(=O)N(C)C[C@H](C)[NH2+]CC#Cc1ccccc1)n1cc[nH+]c1 ZINC001485928489 1193640799 /nfs/dbraw/zinc/64/07/99/1193640799.db2.gz JCHSAALIULEOJV-ZWKOTPCHSA-N 2 2 338.455 2.322 10 30 EEEELP C=CCCC[NH2+]CC[C@@H]1CCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001484526290 1191399207 /nfs/dbraw/zinc/39/92/07/1191399207.db2.gz DTGKNZRXJZIRJQ-IAGOWNOFSA-N 2 2 330.476 2.240 10 30 EEEELP CC#CC[NH2+]CC(C)(C)CN(C)C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001485252001 1191704479 /nfs/dbraw/zinc/70/44/79/1191704479.db2.gz RRCCAJVWOPBBEM-UHFFFAOYSA-N 2 2 326.444 2.354 10 30 EEEELP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@H]2O)CC1)c1cccc(C#N)c1O ZINC000866307196 1201489600 /nfs/dbraw/zinc/48/96/00/1201489600.db2.gz UJRWTYMBDQSHGF-DOPJRALCSA-N 2 2 329.444 2.292 10 30 EEEELP C#CC[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC001275808674 1205544103 /nfs/dbraw/zinc/54/41/03/1205544103.db2.gz XCUZLHBIGICWKF-WMZOPIPTSA-N 2 2 338.455 2.083 10 30 EEEELP C=C(CC[NH+](C)C)C(=O)N[C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000900887023 1234959685 /nfs/dbraw/zinc/95/96/85/1234959685.db2.gz QANYYOBLLLLWPV-QGZVFWFLSA-N 2 2 326.444 2.328 10 30 EEEELP C=CCc1cc(C[NH2+][C@@H]2C[NH2+]CC3(CCOCC3)C2)cc(OC)c1O ZINC000903973191 1242807029 /nfs/dbraw/zinc/80/70/29/1242807029.db2.gz AYIKMXVHLFVRBD-KRWDZBQOSA-N 2 2 346.471 2.378 10 30 EEEELP C=CCCC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001265587207 1323244003 /nfs/dbraw/zinc/24/40/03/1323244003.db2.gz XUAPNGGMYNXQQE-SJORKVTESA-N 2 2 330.476 2.240 10 30 EEEELP C=CCCC[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001265587207 1323244007 /nfs/dbraw/zinc/24/40/07/1323244007.db2.gz XUAPNGGMYNXQQE-SJORKVTESA-N 2 2 330.476 2.240 10 30 EEEELP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCCC[N@H+]1CCCC(C)C ZINC001265647444 1323294022 /nfs/dbraw/zinc/29/40/22/1323294022.db2.gz OULTZDVHILUPKA-OALUTQOASA-N 2 2 333.520 2.491 10 30 EEEELP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCCC[N@@H+]1CCCC(C)C ZINC001265647444 1323294027 /nfs/dbraw/zinc/29/40/27/1323294027.db2.gz OULTZDVHILUPKA-OALUTQOASA-N 2 2 333.520 2.491 10 30 EEEELP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCC[NH+]1CCCC(C)C ZINC001265647444 1323294034 /nfs/dbraw/zinc/29/40/34/1323294034.db2.gz OULTZDVHILUPKA-OALUTQOASA-N 2 2 333.520 2.491 10 30 EEEELP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCC[NH+]1CCCC(C)C ZINC001265647444 1323294045 /nfs/dbraw/zinc/29/40/45/1323294045.db2.gz OULTZDVHILUPKA-OALUTQOASA-N 2 2 333.520 2.491 10 30 EEEELP C=C(C)C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)CCCn3cc[nH+]c3)C[C@@H]2C1 ZINC001282960389 1325855176 /nfs/dbraw/zinc/85/51/76/1325855176.db2.gz ZMIFCYXRKGZONY-RCCFBDPRSA-N 2 2 330.476 2.456 10 30 EEEELP C=C(C)C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)CCCn3cc[nH+]c3)C[C@@H]2C1 ZINC001282960389 1325855178 /nfs/dbraw/zinc/85/51/78/1325855178.db2.gz ZMIFCYXRKGZONY-RCCFBDPRSA-N 2 2 330.476 2.456 10 30 EEEELP C=CCCC[NH2+][C@H]1C[C@H](CNC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001316629387 1326229230 /nfs/dbraw/zinc/22/92/30/1326229230.db2.gz LWKYSLWTOPTWFY-WKILWMFISA-N 2 2 330.476 2.213 10 30 EEEELP C=CCCC[NH2+]C[C@H]1CCN(C(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001491803910 1330260980 /nfs/dbraw/zinc/26/09/80/1330260980.db2.gz ACVXZGDUFRGIOZ-MRXNPFEDSA-N 2 2 330.476 2.166 10 30 EEEELP C#CCC[N@H+]1CCC[C@H](CNC(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001317136316 1332094053 /nfs/dbraw/zinc/09/40/53/1332094053.db2.gz AOHMDGPYLBJCQT-MSOLQXFVSA-N 2 2 330.476 2.322 10 30 EEEELP C#CCC[N@@H+]1CCC[C@H](CNC(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001317136316 1332094054 /nfs/dbraw/zinc/09/40/54/1332094054.db2.gz AOHMDGPYLBJCQT-MSOLQXFVSA-N 2 2 330.476 2.322 10 30 EEEELP C=CCO[C@H]1CC[N@H+](CCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC001322059826 1333203434 /nfs/dbraw/zinc/20/34/34/1333203434.db2.gz LQBCLMPZFBYYSZ-FQEVSTJZSA-N 2 2 329.488 2.476 10 30 EEEELP C=CCO[C@H]1CC[N@@H+](CCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC001322059826 1333203439 /nfs/dbraw/zinc/20/34/39/1333203439.db2.gz LQBCLMPZFBYYSZ-FQEVSTJZSA-N 2 2 329.488 2.476 10 30 EEEELP C#CCC[NH2+][C@H]1CCN(C(=O)Cc2cn3cccc(C)c3[nH+]2)[C@H](C)C1 ZINC001324086741 1333605795 /nfs/dbraw/zinc/60/57/95/1333605795.db2.gz HCCARVWONRNTDE-SJORKVTESA-N 2 2 338.455 2.178 10 30 EEEELP C=C(C)CC[NH2+]C[C@H]1CN(C(=O)Cc2c[nH+]ccc2OC)C[C@H]1C ZINC001325530220 1333904986 /nfs/dbraw/zinc/90/49/86/1333904986.db2.gz ICNWGRDAMAWGQE-WBVHZDCISA-N 2 2 331.460 2.283 10 30 EEEELP C=C(C)CC[NH2+]C[C@H]1CN(C(=O)Cc2c[nH+]ccc2OC)C[C@@H]1C ZINC001325530218 1333905005 /nfs/dbraw/zinc/90/50/05/1333905005.db2.gz ICNWGRDAMAWGQE-RDJZCZTQSA-N 2 2 331.460 2.283 10 30 EEEELP C#CC[NH+]1CCC([NH2+]C[C@@H](O)c2ccc(Br)cc2)CC1 ZINC001335456598 1336377547 /nfs/dbraw/zinc/37/75/47/1336377547.db2.gz GXQFXOKIPZCFKF-MRXNPFEDSA-N 2 2 337.261 2.170 10 30 EEEELP C#CC[N@H+](C)CCC[NH2+]Cc1ccc(C(=O)OCc2ccccc2)[nH]1 ZINC001560859916 1342518278 /nfs/dbraw/zinc/51/82/78/1342518278.db2.gz WKCQRDXRUGGHJI-UHFFFAOYSA-N 2 2 339.439 2.416 10 30 EEEELP C#CC[N@@H+](C)CCC[NH2+]Cc1ccc(C(=O)OCc2ccccc2)[nH]1 ZINC001560859916 1342518279 /nfs/dbraw/zinc/51/82/79/1342518279.db2.gz WKCQRDXRUGGHJI-UHFFFAOYSA-N 2 2 339.439 2.416 10 30 EEEELP C#CCN(C(=O)Cc1c[nH+]c[nH]1)C1CC[NH+](CC(CC)CC)CC1 ZINC001671497397 1356350741 /nfs/dbraw/zinc/35/07/41/1356350741.db2.gz RJFOEVDIQYKMIE-UHFFFAOYSA-N 2 2 330.476 2.315 10 30 EEEELP C=C(C)CC[NH2+]C1(C)CCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC001673960279 1356765504 /nfs/dbraw/zinc/76/55/04/1356765504.db2.gz CVIXHOHMPMTTDE-INIZCTEOSA-N 2 2 330.476 2.382 10 30 EEEELP C=CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)C(C)(C)C1 ZINC000940847387 779409209 /nfs/dbraw/zinc/40/92/09/779409209.db2.gz WOGUBDINJXHILY-RDJZCZTQSA-N 2 2 330.476 2.238 10 30 EEEELP C=CCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)C(C)(C)C1 ZINC000940847387 779409213 /nfs/dbraw/zinc/40/92/13/779409213.db2.gz WOGUBDINJXHILY-RDJZCZTQSA-N 2 2 330.476 2.238 10 30 EEEELP CCC[N@H+](C)CC(=O)N[C@H]1CC[NH+](Cc2ccc(F)c(C#N)c2)[C@@H]1C ZINC001436509681 1088047222 /nfs/dbraw/zinc/04/72/22/1088047222.db2.gz IBFDQQJSGIDGBR-KDOFPFPSSA-N 2 2 346.450 2.118 10 30 EEEELP CCC[N@@H+](C)CC(=O)N[C@H]1CC[NH+](Cc2ccc(F)c(C#N)c2)[C@@H]1C ZINC001436509681 1088047239 /nfs/dbraw/zinc/04/72/39/1088047239.db2.gz IBFDQQJSGIDGBR-KDOFPFPSSA-N 2 2 346.450 2.118 10 30 EEEELP CCC[NH+](C)CC(=O)N[C@H]1CC[N@H+](Cc2ccc(F)c(C#N)c2)[C@@H]1C ZINC001436509681 1088047253 /nfs/dbraw/zinc/04/72/53/1088047253.db2.gz IBFDQQJSGIDGBR-KDOFPFPSSA-N 2 2 346.450 2.118 10 30 EEEELP CCC[NH+](C)CC(=O)N[C@H]1CC[N@@H+](Cc2ccc(F)c(C#N)c2)[C@@H]1C ZINC001436509681 1088047265 /nfs/dbraw/zinc/04/72/65/1088047265.db2.gz IBFDQQJSGIDGBR-KDOFPFPSSA-N 2 2 346.450 2.118 10 30 EEEELP C=C(Cl)C[NH2+][C@H](CC)CNC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1 ZINC001438302327 1090781100 /nfs/dbraw/zinc/78/11/00/1090781100.db2.gz UAMRKNKTAXOPNK-DOMZBBRYSA-N 2 2 339.871 2.027 10 30 EEEELP C[C@H](CC(=O)NC[C@H](C)[NH2+]Cc1ccc(C#N)cc1)n1cc[nH+]c1 ZINC001441961732 1096163639 /nfs/dbraw/zinc/16/36/39/1096163639.db2.gz DZUFOWMACVVOFQ-LSDHHAIUSA-N 2 2 325.416 2.000 10 30 EEEELP C=C(Br)C[NH+](C)[C@H]1CCCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001442222229 1096517846 /nfs/dbraw/zinc/51/78/46/1096517846.db2.gz YVBNYYVKYGYYSW-AWEZNQCLSA-N 2 2 346.313 2.158 10 30 EEEELP C=C(Br)C[NH+](C)[C@H]1CCCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001442222229 1096517848 /nfs/dbraw/zinc/51/78/48/1096517848.db2.gz YVBNYYVKYGYYSW-AWEZNQCLSA-N 2 2 346.313 2.158 10 30 EEEELP C=C(Br)C[N@@H+](C)[C@H]1CCCN(C(=O)C[NH+](C)C(C)C)C1 ZINC001442222229 1096517853 /nfs/dbraw/zinc/51/78/53/1096517853.db2.gz YVBNYYVKYGYYSW-AWEZNQCLSA-N 2 2 346.313 2.158 10 30 EEEELP C=C(Br)C[N@H+](C)[C@H]1CCCN(C(=O)C[NH+](C)C(C)C)C1 ZINC001442222229 1096517856 /nfs/dbraw/zinc/51/78/56/1096517856.db2.gz YVBNYYVKYGYYSW-AWEZNQCLSA-N 2 2 346.313 2.158 10 30 EEEELP C#CC[N@@H+](Cc1ccc(OCC[NH+]2CCOCC2)cc1)CC1CC1 ZINC001461928266 1110349943 /nfs/dbraw/zinc/34/99/43/1110349943.db2.gz QTGMRPYKEAGWNE-UHFFFAOYSA-N 2 2 328.456 2.243 10 30 EEEELP C#CC[N@H+](Cc1ccc(OCC[NH+]2CCOCC2)cc1)CC1CC1 ZINC001461928266 1110349944 /nfs/dbraw/zinc/34/99/44/1110349944.db2.gz QTGMRPYKEAGWNE-UHFFFAOYSA-N 2 2 328.456 2.243 10 30 EEEELP CC#CC[N@@H+]1CC[C@H]([C@@H]2CCCN(C(=O)CCCn3cc[nH+]c3)C2)C1 ZINC001505473225 1114010625 /nfs/dbraw/zinc/01/06/25/1114010625.db2.gz QTCCEDHIPPHOTP-MOPGFXCFSA-N 2 2 342.487 2.247 10 30 EEEELP CC#CC[N@H+]1CC[C@H]([C@@H]2CCCN(C(=O)CCCn3cc[nH+]c3)C2)C1 ZINC001505473225 1114010627 /nfs/dbraw/zinc/01/06/27/1114010627.db2.gz QTCCEDHIPPHOTP-MOPGFXCFSA-N 2 2 342.487 2.247 10 30 EEEELP CC#CC[N@@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)CCCn3cc[nH+]c3)C2)C1 ZINC001505473228 1114010797 /nfs/dbraw/zinc/01/07/97/1114010797.db2.gz QTCCEDHIPPHOTP-RTBURBONSA-N 2 2 342.487 2.247 10 30 EEEELP CC#CC[N@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)CCCn3cc[nH+]c3)C2)C1 ZINC001505473228 1114010800 /nfs/dbraw/zinc/01/08/00/1114010800.db2.gz QTCCEDHIPPHOTP-RTBURBONSA-N 2 2 342.487 2.247 10 30 EEEELP Cc1cc(NC(=O)NC[C@@H]2CC[N@@H+](C)[C@H]2c2cccnc2)cc[nH+]1 ZINC000328638410 465084552 /nfs/dbraw/zinc/08/45/52/465084552.db2.gz WIUDOBSAZXGCEI-RDJZCZTQSA-N 2 2 325.416 2.226 10 30 EEEELP Cc1cc(NC(=O)NC[C@@H]2CC[N@H+](C)[C@H]2c2cccnc2)cc[nH+]1 ZINC000328638410 465084558 /nfs/dbraw/zinc/08/45/58/465084558.db2.gz WIUDOBSAZXGCEI-RDJZCZTQSA-N 2 2 325.416 2.226 10 30 EEEELP Cc1cn2c([nH+]1)[C@H](CNC(=O)N1CCC[C@@H]3C[N@H+](C)CC[C@H]31)CCC2 ZINC000329278907 465287779 /nfs/dbraw/zinc/28/77/79/465287779.db2.gz LKQOWLSPDUSCIL-GVDBMIGSSA-N 2 2 345.491 2.399 10 30 EEEELP Cc1cn2c([nH+]1)[C@H](CNC(=O)N1CCC[C@@H]3C[N@@H+](C)CC[C@H]31)CCC2 ZINC000329278907 465287783 /nfs/dbraw/zinc/28/77/83/465287783.db2.gz LKQOWLSPDUSCIL-GVDBMIGSSA-N 2 2 345.491 2.399 10 30 EEEELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CC(=O)Nc1sccc1C#N ZINC000178750656 463962824 /nfs/dbraw/zinc/96/28/24/463962824.db2.gz YTSLMUYRVDEECI-AWEZNQCLSA-N 2 2 329.429 2.228 10 30 EEEELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CC(=O)Nc1sccc1C#N ZINC000178750656 463962825 /nfs/dbraw/zinc/96/28/25/463962825.db2.gz YTSLMUYRVDEECI-AWEZNQCLSA-N 2 2 329.429 2.228 10 30 EEEELP C=CCN1CC[C@H]([N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)C1=O ZINC000282028004 464673377 /nfs/dbraw/zinc/67/33/77/464673377.db2.gz KQWFRSROQWLKFH-RDJZCZTQSA-N 2 2 328.460 2.186 10 30 EEEELP C=CCN1CC[C@H]([N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)C1=O ZINC000282028004 464673380 /nfs/dbraw/zinc/67/33/80/464673380.db2.gz KQWFRSROQWLKFH-RDJZCZTQSA-N 2 2 328.460 2.186 10 30 EEEELP CC1(C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)OCCCO1 ZINC000190646274 464693753 /nfs/dbraw/zinc/69/37/53/464693753.db2.gz DFBVPBHBPDGUEC-UHFFFAOYSA-N 2 2 329.444 2.265 10 30 EEEELP N#CC1(C[C@H](O)C[NH+]2CCC([NH+]3CCCCC3)CC2)CCOCC1 ZINC000599262902 469182353 /nfs/dbraw/zinc/18/23/53/469182353.db2.gz BOXFBKSJIYCKRJ-SFHVURJKSA-N 2 2 335.492 2.008 10 30 EEEELP C=CC[C@]1(C(=O)N2CC[NH+](Cc3ccccc3C)CC2)CCC[NH2+]1 ZINC000662666341 472196157 /nfs/dbraw/zinc/19/61/57/472196157.db2.gz KYQUKVGLQSNCCO-HXUWFJFHSA-N 2 2 327.472 2.338 10 30 EEEELP C=CC[C@]1(C(=O)Nc2cccc(C[NH+]3CCN(C)CC3)c2)CCC[NH2+]1 ZINC000662759491 472239798 /nfs/dbraw/zinc/23/97/98/472239798.db2.gz YEGUJWIUIXXFHZ-HXUWFJFHSA-N 2 2 342.487 2.071 10 30 EEEELP C=CCC[NH2+]C[C@@H](NC(=O)Cc1cn2cccc(C)c2[nH+]1)C1CC1 ZINC001670534350 1176871348 /nfs/dbraw/zinc/87/13/48/1176871348.db2.gz VREFSRSDYMCZRR-QGZVFWFLSA-N 2 2 326.444 2.246 10 30 EEEELP C#CCC[N@H+]1CCC[C@@H]([C@H](C)NC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001266891811 1177727033 /nfs/dbraw/zinc/72/70/33/1177727033.db2.gz RNLWRZJTRVGZRK-DLBZAZTESA-N 2 2 330.476 2.167 10 30 EEEELP C#CCC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001266891811 1177727037 /nfs/dbraw/zinc/72/70/37/1177727037.db2.gz RNLWRZJTRVGZRK-DLBZAZTESA-N 2 2 330.476 2.167 10 30 EEEELP C=C(C)C[N@H+]1CC[C@@H]1CN(C)C(=O)C[NH+](C)CCc1ccccc1 ZINC001691402509 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MJBVUHBINDLSSW-IRXDYDNUSA-N 2 2 330.476 2.192 10 30 EEEELP C=CCCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001481491258 1181556583 /nfs/dbraw/zinc/55/65/83/1181556583.db2.gz MJBVUHBINDLSSW-IRXDYDNUSA-N 2 2 330.476 2.192 10 30 EEEELP C[NH+](C)CCCCC(=O)N[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC001481708510 1182269983 /nfs/dbraw/zinc/26/99/83/1182269983.db2.gz XFFRTZZZNLASQZ-QGZVFWFLSA-N 2 2 346.450 2.120 10 30 EEEELP C[NH+](C)CCCCC(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC001481708510 1182269990 /nfs/dbraw/zinc/26/99/90/1182269990.db2.gz XFFRTZZZNLASQZ-QGZVFWFLSA-N 2 2 346.450 2.120 10 30 EEEELP C#CC[NH2+]C[C@@]1(NC(=O)Cc2cn3c([nH+]2)CCCC3)CCCC[C@H]1C ZINC001481959103 1183038859 /nfs/dbraw/zinc/03/88/59/1183038859.db2.gz UITBJIDHESXYOY-UZLBHIALSA-N 2 2 342.487 2.050 10 30 EEEELP C=CCCC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CCc1c[nH+]cn1C ZINC001272042610 1187231696 /nfs/dbraw/zinc/23/16/96/1187231696.db2.gz HKPBFJZOSSITNV-MSOLQXFVSA-N 2 2 330.476 2.384 10 30 EEEELP C=CCCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CCc1c[nH+]cn1C ZINC001272042610 1187231700 /nfs/dbraw/zinc/23/17/00/1187231700.db2.gz HKPBFJZOSSITNV-MSOLQXFVSA-N 2 2 330.476 2.384 10 30 EEEELP C#CC[N@H+]1CCC[C@]2(CCN(C(=O)[C@H](CC(C)C)n3cc[nH+]c3)C2)C1 ZINC001483831263 1191067921 /nfs/dbraw/zinc/06/79/21/1191067921.db2.gz XGUUHPGLPBPACK-ICSRJNTNSA-N 2 2 342.487 2.418 10 30 EEEELP C#CC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@H](CC(C)C)n3cc[nH+]c3)C2)C1 ZINC001483831263 1191067926 /nfs/dbraw/zinc/06/79/26/1191067926.db2.gz XGUUHPGLPBPACK-ICSRJNTNSA-N 2 2 342.487 2.418 10 30 EEEELP C=CCCC[NH2+]C[C@]1(C)CCN(C(=O)Cc2c[nH+]ccc2OC)C1 ZINC001484103539 1191212184 /nfs/dbraw/zinc/21/21/84/1191212184.db2.gz WGPOZFGFAXOAFL-IBGZPJMESA-N 2 2 331.460 2.427 10 30 EEEELP C#CCC[NH2+]C1(CC)CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC001484812447 1191533139 /nfs/dbraw/zinc/53/31/39/1191533139.db2.gz AAUZFXJTHVAESB-UHFFFAOYSA-N 2 2 330.476 2.311 10 30 EEEELP C#CCC[NH2+][C@H]1CN(C(=O)Cc2cn3cccc(C)c3[nH+]2)CC1(C)C ZINC001486243964 1193769862 /nfs/dbraw/zinc/76/98/62/1193769862.db2.gz LPJVGBRYBSDILQ-KRWDZBQOSA-N 2 2 338.455 2.035 10 30 EEEELP CN(C(=O)c1sccc1CC#N)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000865727876 1198349481 /nfs/dbraw/zinc/34/94/81/1198349481.db2.gz JUMYFKUBFAZUBW-MRXNPFEDSA-N 2 2 346.500 2.055 10 30 EEEELP CN(C(=O)c1sccc1CC#N)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000865727876 1198349485 /nfs/dbraw/zinc/34/94/85/1198349485.db2.gz JUMYFKUBFAZUBW-MRXNPFEDSA-N 2 2 346.500 2.055 10 30 EEEELP CC#CC[NH+]1CCC(N(CCC)C(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC001490616166 1291526611 /nfs/dbraw/zinc/52/66/11/1291526611.db2.gz CDNWSBGYTMTWQJ-UHFFFAOYSA-N 2 2 346.475 2.076 10 30 EEEELP C=CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001278748238 1317958644 /nfs/dbraw/zinc/95/86/44/1317958644.db2.gz YNMXPXVTDLGIDS-AWEZNQCLSA-N 2 2 340.418 2.186 10 30 EEEELP C=CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001278748238 1317958647 /nfs/dbraw/zinc/95/86/47/1317958647.db2.gz YNMXPXVTDLGIDS-AWEZNQCLSA-N 2 2 340.418 2.186 10 30 EEEELP C=CCOCC[NH2+]C[C@@H]1CCCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001265612856 1323266549 /nfs/dbraw/zinc/26/65/49/1323266549.db2.gz CSXPEIQSSLPRIW-HNNXBMFYSA-N 2 2 342.443 2.207 10 30 EEEELP C=CC[NH2+]CCc1ccc(CNC(=O)[C@@H]2CCc3[nH+]ccn3C2)cc1 ZINC001317366793 1332197835 /nfs/dbraw/zinc/19/78/35/1332197835.db2.gz QNOUMIQQKTZGHT-GOSISDBHSA-N 2 2 338.455 2.080 10 30 EEEELP C=C(Cl)C[NH2+]CC[C@H]1CCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001326304113 1334064436 /nfs/dbraw/zinc/06/44/36/1334064436.db2.gz OLXWEQUBMGLOFK-LSDHHAIUSA-N 2 2 336.867 2.026 10 30 EEEELP C=CCC[NH2+][C@H](C)[C@@H]1CN(C(=O)c2c(C)cc(C)[nH+]c2C)CCO1 ZINC001330403782 1334837508 /nfs/dbraw/zinc/83/75/08/1334837508.db2.gz KIOWKVWACIZKTQ-WBVHZDCISA-N 2 2 331.460 2.402 10 30 EEEELP C=C(Br)C[N@H+](C)CCCNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001660174210 1354410335 /nfs/dbraw/zinc/41/03/35/1354410335.db2.gz NRUODQZFHQAQPZ-AWEZNQCLSA-N 2 2 346.313 2.208 10 30 EEEELP C=C(Br)C[N@@H+](C)CCCNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001660174210 1354410336 /nfs/dbraw/zinc/41/03/36/1354410336.db2.gz NRUODQZFHQAQPZ-AWEZNQCLSA-N 2 2 346.313 2.208 10 30 EEEELP C=C(Br)C[NH+](C)CCCNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001660174210 1354410337 /nfs/dbraw/zinc/41/03/37/1354410337.db2.gz NRUODQZFHQAQPZ-AWEZNQCLSA-N 2 2 346.313 2.208 10 30 EEEELP C=C(Br)C[NH+](C)CCCNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001660174210 1354410338 /nfs/dbraw/zinc/41/03/38/1354410338.db2.gz NRUODQZFHQAQPZ-AWEZNQCLSA-N 2 2 346.313 2.208 10 30 EEEELP C#CC[NH2+]CC[C@@H]1CCCCN1C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001667273479 1355695905 /nfs/dbraw/zinc/69/59/05/1355695905.db2.gz QTBOVXOZPGAASV-IBGZPJMESA-N 2 2 336.439 2.480 10 30 EEEELP C#CCN(C(=O)Cc1[nH]cc[nH+]1)C1CC[NH+](Cc2ccsc2)CC1 ZINC001671500333 1356351193 /nfs/dbraw/zinc/35/11/93/1356351193.db2.gz UHOXCQBSSGBXQU-UHFFFAOYSA-N 2 2 342.468 2.140 10 30 EEEELP C=CCC[NH2+][C@H](CNC(=O)Cc1cn2cccc(C)c2[nH+]1)C(C)C ZINC001698973340 1405194314 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/nfs/dbraw/zinc/83/55/96/790835596.db2.gz DJTBDLHMUSFPQD-RBUKOAKNSA-N 2 2 339.483 2.237 10 30 EEEELP C#C[C@@H]1CCC[N@H+](CC(=O)N2CC[NH+]([C@@H](C)c3ccccc3)CC2)C1 ZINC000847021970 790835609 /nfs/dbraw/zinc/83/56/09/790835609.db2.gz DJTBDLHMUSFPQD-RBUKOAKNSA-N 2 2 339.483 2.237 10 30 EEEELP C[NH+]1CCC(CNC(=O)c2ccsc2C#N)([NH+]2CCCCC2)CC1 ZINC000906823227 784197995 /nfs/dbraw/zinc/19/79/95/784197995.db2.gz MGSYLNUADFLUAJ-UHFFFAOYSA-N 2 2 346.500 2.300 10 30 EEEELP C[C@@H](C[NH2+]Cc1ccc(C#N)s1)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001445611268 1091406007 /nfs/dbraw/zinc/40/60/07/1091406007.db2.gz BJGQNSRWFGRYEF-STQMWFEESA-N 2 2 331.445 2.062 10 30 EEEELP C=C(Cl)C[NH2+]C[C@@H](CCCC)NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001441123497 1094447149 /nfs/dbraw/zinc/44/71/49/1094447149.db2.gz WJUVZMSDPCLUEP-HUUCEWRRSA-N 2 2 338.883 2.463 10 30 EEEELP C=CCCC[NH2+]C[C@H]1CCCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001480285853 1099993111 /nfs/dbraw/zinc/99/31/11/1099993111.db2.gz CXWVJUNEZJFLEW-SJORKVTESA-N 2 2 330.476 2.240 10 30 EEEELP C=C(C)CC[N@H+]1CCOC[C@@H]1CNC(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001501780808 1113474805 /nfs/dbraw/zinc/47/48/05/1113474805.db2.gz YKGKHEKORAMTFX-SJORKVTESA-N 2 2 348.491 2.180 10 30 EEEELP C=C(C)CC[N@@H+]1CCOC[C@@H]1CNC(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001501780808 1113474808 /nfs/dbraw/zinc/47/48/08/1113474808.db2.gz YKGKHEKORAMTFX-SJORKVTESA-N 2 2 348.491 2.180 10 30 EEEELP C[N@@H+]1CC[C@H](NC(=O)N2CCn3cc[nH+]c3C2)[C@@H]1c1ccccc1 ZINC000328842230 465143890 /nfs/dbraw/zinc/14/38/90/465143890.db2.gz HZDXZOXHGBEKFH-RDJZCZTQSA-N 2 2 325.416 2.058 10 30 EEEELP C[N@H+]1CC[C@H](NC(=O)N2CCn3cc[nH+]c3C2)[C@@H]1c1ccccc1 ZINC000328842230 465143893 /nfs/dbraw/zinc/14/38/93/465143893.db2.gz HZDXZOXHGBEKFH-RDJZCZTQSA-N 2 2 325.416 2.058 10 30 EEEELP O=C(NC1CCN(c2cccc[nH+]2)CC1)[C@@H]1CCn2c[nH+]cc2C1 ZINC000329219868 465270776 /nfs/dbraw/zinc/27/07/76/465270776.db2.gz BAKQHVZNMMUUEW-CQSZACIVSA-N 2 2 325.416 2.466 10 30 EEEELP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](CC(=O)Nc2cccc(C#N)c2)C1 ZINC000123567947 463351969 /nfs/dbraw/zinc/35/19/69/463351969.db2.gz SJZACGPUQFHMRK-INIZCTEOSA-N 2 2 337.427 2.185 10 30 EEEELP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](CC(=O)Nc2cccc(C#N)c2)C1 ZINC000123567947 463351970 /nfs/dbraw/zinc/35/19/70/463351970.db2.gz SJZACGPUQFHMRK-INIZCTEOSA-N 2 2 337.427 2.185 10 30 EEEELP C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CCN(c2c[nH+]ccc2C)CC1 ZINC000342770568 465348816 /nfs/dbraw/zinc/34/88/16/465348816.db2.gz VLMOFFQPFCPKNQ-QGZVFWFLSA-N 2 2 328.460 2.101 10 30 EEEELP CC(C)(C)NC(=O)CO[NH+]=C(N)c1ccccc1C[NH+]1CCCCC1 ZINC000299331093 465701831 /nfs/dbraw/zinc/70/18/31/465701831.db2.gz GNEXOSMFHONHBM-UHFFFAOYSA-N 2 2 346.475 2.224 10 30 EEEELP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)NCc2[nH+]ccn2CC(F)(F)F)C1 ZINC000331185234 465972140 /nfs/dbraw/zinc/97/21/40/465972140.db2.gz YMFIANKETUEOLI-NWDGAFQWSA-N 2 2 347.385 2.322 10 30 EEEELP N#CCCCOc1cccc(C[NH2+]C[C@@H]2CCCC[N@H+]2CCO)c1 ZINC000449397026 467639050 /nfs/dbraw/zinc/63/90/50/467639050.db2.gz UEPXSEWOSHELRE-SFHVURJKSA-N 2 2 331.460 2.306 10 30 EEEELP N#CCCCOc1cccc(C[NH2+]C[C@@H]2CCCC[N@@H+]2CCO)c1 ZINC000449397026 467639052 /nfs/dbraw/zinc/63/90/52/467639052.db2.gz UEPXSEWOSHELRE-SFHVURJKSA-N 2 2 331.460 2.306 10 30 EEEELP C[C@H](c1ccncc1)[NH+]1CCC([NH2+]C[C@@H](O)CC2(C#N)CC2)CC1 ZINC000600729741 468639645 /nfs/dbraw/zinc/63/96/45/468639645.db2.gz XMVKZUDCWRRNOU-QAPCUYQASA-N 2 2 328.460 2.251 10 30 EEEELP C=CC[C@H]1CCCC[C@H]1NC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000664537558 471785881 /nfs/dbraw/zinc/78/58/81/471785881.db2.gz OPWCZQZGRNCYRR-FUHWJXTLSA-N 2 2 336.524 2.447 10 30 EEEELP C=CC[NH+](CC=C)[C@@H](CNC(=O)[C@@H]1CCc2[nH+]c[nH]c2C1)C(C)C ZINC000668682716 472224686 /nfs/dbraw/zinc/22/46/86/472224686.db2.gz MUMVRHDCSGRNGV-QAPCUYQASA-N 2 2 330.476 2.329 10 30 EEEELP C=CC[NH+](CC=C)[C@@H](CNC(=O)[C@@H]1CCc2[nH]c[nH+]c2C1)C(C)C ZINC000668682716 472224692 /nfs/dbraw/zinc/22/46/92/472224692.db2.gz MUMVRHDCSGRNGV-QAPCUYQASA-N 2 2 330.476 2.329 10 30 EEEELP C=CCOc1ccc(C[NH+]2CCC([N@@H+]3CC[C@H](O)C3)CC2)cc1OC ZINC000668740344 472248478 /nfs/dbraw/zinc/24/84/78/472248478.db2.gz IIMLBBRLQMKPDO-SFHVURJKSA-N 2 2 346.471 2.291 10 30 EEEELP C=CCOc1ccc(C[NH+]2CCC([N@H+]3CC[C@H](O)C3)CC2)cc1OC ZINC000668740344 472248483 /nfs/dbraw/zinc/24/84/83/472248483.db2.gz IIMLBBRLQMKPDO-SFHVURJKSA-N 2 2 346.471 2.291 10 30 EEEELP C=C(Cl)C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)CCn3cc[nH+]c3)C[C@@H]2C1 ZINC001485657075 1191891279 /nfs/dbraw/zinc/89/12/79/1191891279.db2.gz LPHFPBMBUOEUNU-XHSDSOJGSA-N 2 2 336.867 2.242 10 30 EEEELP C=C(Cl)C[N@H+]1C[C@@H]2CC[C@H](NC(=O)CCn3cc[nH+]c3)C[C@@H]2C1 ZINC001485657075 1191891281 /nfs/dbraw/zinc/89/12/81/1191891281.db2.gz LPHFPBMBUOEUNU-XHSDSOJGSA-N 2 2 336.867 2.242 10 30 EEEELP C=CCCC[N@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001267788104 1180531933 /nfs/dbraw/zinc/53/19/33/1180531933.db2.gz PXPXSDXRJSYRDN-SJLPKXTDSA-N 2 2 330.476 2.335 10 30 EEEELP C=CCCC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001267788104 1180531939 /nfs/dbraw/zinc/53/19/39/1180531939.db2.gz PXPXSDXRJSYRDN-SJLPKXTDSA-N 2 2 330.476 2.335 10 30 EEEELP C=CCC[NH2+]CC[C@@H]1CCCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001267887398 1180691454 /nfs/dbraw/zinc/69/14/54/1180691454.db2.gz JGKCOHVCWOZSHM-IRXDYDNUSA-N 2 2 330.476 2.240 10 30 EEEELP C=CCC[NH2+]C[C@H](NC(=O)[C@H]1CCc2c[nH+]cn2C1)C1CCCC1 ZINC001270415281 1185089869 /nfs/dbraw/zinc/08/98/69/1185089869.db2.gz RYZPFOCMJGBIRB-WMZOPIPTSA-N 2 2 330.476 2.286 10 30 EEEELP C=CCCC[NH2+]C[C@]1(C)CCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001270744651 1185361929 /nfs/dbraw/zinc/36/19/29/1185361929.db2.gz NRHFJIGCURYECS-APWZRJJASA-N 2 2 330.476 2.240 10 30 EEEELP C#CCC[NH2+]C[C@H](NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C1CCCCC1 ZINC001271334778 1186146006 /nfs/dbraw/zinc/14/60/06/1186146006.db2.gz MPHLYALTGAQLHT-ZACQAIPSSA-N 2 2 328.460 2.191 10 30 EEEELP C#CCC[NH2+]C[C@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C1CCCCC1 ZINC001271334778 1186146007 /nfs/dbraw/zinc/14/60/07/1186146007.db2.gz MPHLYALTGAQLHT-ZACQAIPSSA-N 2 2 328.460 2.191 10 30 EEEELP C=CCCC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)Cc2c[nH+]ccc2OC)C1 ZINC001484344769 1191312497 /nfs/dbraw/zinc/31/24/97/1191312497.db2.gz PMJLTKDGAJMKTP-JKSUJKDBSA-N 2 2 331.460 2.426 10 30 EEEELP C=C(Cl)C[NH2+]C[C@H]1CC[C@@H](NC(=O)Cc2c[nH+]ccc2OC)C1 ZINC001410962306 1198636527 /nfs/dbraw/zinc/63/65/27/1198636527.db2.gz SLJSCTDRWOZAJT-DZGCQCFKSA-N 2 2 337.851 2.260 10 30 EEEELP C=CCCC[N@@H+](C)C[C@H](C)NC(=O)[C@@H]1COCC[NH+]1C1CCCC1 ZINC001275629120 1205452033 /nfs/dbraw/zinc/45/20/33/1205452033.db2.gz KCIXLAXOZRBUPX-WMZOPIPTSA-N 2 2 337.508 2.033 10 30 EEEELP C=CCCC[N@H+](C)C[C@H](C)NC(=O)[C@@H]1COCC[NH+]1C1CCCC1 ZINC001275629120 1205452034 /nfs/dbraw/zinc/45/20/34/1205452034.db2.gz KCIXLAXOZRBUPX-WMZOPIPTSA-N 2 2 337.508 2.033 10 30 EEEELP C=CCCC[NH+](C)C[C@H](C)NC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC001275629120 1205452036 /nfs/dbraw/zinc/45/20/36/1205452036.db2.gz KCIXLAXOZRBUPX-WMZOPIPTSA-N 2 2 337.508 2.033 10 30 EEEELP C=CCCC[NH+](C)C[C@H](C)NC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC001275629120 1205452038 /nfs/dbraw/zinc/45/20/38/1205452038.db2.gz KCIXLAXOZRBUPX-WMZOPIPTSA-N 2 2 337.508 2.033 10 30 EEEELP CCCC[C@H](C[NH2+]CC#Cc1ccccc1)NC(=O)Cn1cc[nH+]c1 ZINC001276277319 1205864661 /nfs/dbraw/zinc/86/46/61/1205864661.db2.gz JEDAZVYVALBMHY-LJQANCHMSA-N 2 2 338.455 2.199 10 30 EEEELP C=C(C)CC[NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001491253518 1258847386 /nfs/dbraw/zinc/84/73/86/1258847386.db2.gz OBEBQMNXOOXJEG-WMZOPIPTSA-N 2 2 330.476 2.382 10 30 EEEELP C=CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)CCCn2cc[nH+]c2)C1 ZINC001263887214 1322547527 /nfs/dbraw/zinc/54/75/27/1322547527.db2.gz OAVBSFPCGKCFTC-RBUKOAKNSA-N 2 2 338.455 2.434 10 30 EEEELP C=CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)CCCn2cc[nH+]c2)C1 ZINC001263887214 1322547534 /nfs/dbraw/zinc/54/75/34/1322547534.db2.gz OAVBSFPCGKCFTC-RBUKOAKNSA-N 2 2 338.455 2.434 10 30 EEEELP C[C@H](CCNC(=O)Cc1c[nH]c[nH+]1)[NH2+]CC#Cc1ccccc1Cl ZINC001317408071 1332217368 /nfs/dbraw/zinc/21/73/68/1332217368.db2.gz HRGNKYIHTLFTGZ-CQSZACIVSA-N 2 2 344.846 2.142 10 30 EEEELP C#CCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)Cc1c[nH+]ccc1OC)C2 ZINC001325631921 1333928372 /nfs/dbraw/zinc/92/83/72/1333928372.db2.gz ILRVWFWLCLGCGW-VBUUOAMHSA-N 2 2 341.455 2.015 10 30 EEEELP C#CCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)Cc1c[nH+]ccc1OC)C2 ZINC001325631921 1333928373 /nfs/dbraw/zinc/92/83/73/1333928373.db2.gz ILRVWFWLCLGCGW-VBUUOAMHSA-N 2 2 341.455 2.015 10 30 EEEELP C=C(C)C[NH+]1CC2(C1)CC[C@H](CNC(=O)CCCC[NH+]1CCCC1)O2 ZINC001327373247 1334279775 /nfs/dbraw/zinc/27/97/75/1334279775.db2.gz UAOJGXLALBKFKA-GOSISDBHSA-N 2 2 349.519 2.178 10 30 EEEELP C=CCC[NH2+]C1CCC(N(C)C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001329243208 1334613827 /nfs/dbraw/zinc/61/38/27/1334613827.db2.gz JTXMEGNLPXJFNM-BHUNQDJPSA-N 2 2 330.476 2.459 10 30 EEEELP CC#CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001566689625 1342602959 /nfs/dbraw/zinc/60/29/59/1342602959.db2.gz QUNSXDPQKSDFCO-ROUUACIJSA-N 2 2 342.487 2.464 10 30 EEEELP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C[NH2+]CC(=C)Cl)C1CCCC1 ZINC001569604308 1342906307 /nfs/dbraw/zinc/90/63/07/1342906307.db2.gz PXWZJIWJAAQOBX-SJORKVTESA-N 2 2 337.895 2.101 10 30 EEEELP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C[NH2+]CC(=C)Cl)C1CCCC1 ZINC001569604308 1342906309 /nfs/dbraw/zinc/90/63/09/1342906309.db2.gz PXWZJIWJAAQOBX-SJORKVTESA-N 2 2 337.895 2.101 10 30 EEEELP C#CC[NH+]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2Cc2ccccc2)CC1 ZINC001586494011 1348851494 /nfs/dbraw/zinc/85/14/94/1348851494.db2.gz QISRFIUZUFYKTF-FQEVSTJZSA-N 2 2 339.483 2.209 10 30 EEEELP C#CC[NH+]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2Cc2ccccc2)CC1 ZINC001586494011 1348851496 /nfs/dbraw/zinc/85/14/96/1348851496.db2.gz QISRFIUZUFYKTF-FQEVSTJZSA-N 2 2 339.483 2.209 10 30 EEEELP C#CC[N@H+]1CCCN(C(=O)[C@@H]2CCCC[NH+]2Cc2ccccc2)CC1 ZINC001586494011 1348851503 /nfs/dbraw/zinc/85/15/03/1348851503.db2.gz QISRFIUZUFYKTF-FQEVSTJZSA-N 2 2 339.483 2.209 10 30 EEEELP C#CC[N@@H+]1CCCN(C(=O)[C@@H]2CCCC[NH+]2Cc2ccccc2)CC1 ZINC001586494011 1348851506 /nfs/dbraw/zinc/85/15/06/1348851506.db2.gz QISRFIUZUFYKTF-FQEVSTJZSA-N 2 2 339.483 2.209 10 30 EEEELP C=C(C)CC[N@H+](CCCNC(=O)[C@H]1CCn2cc[nH+]c2C1)C1CC1 ZINC001660699833 1354519471 /nfs/dbraw/zinc/51/94/71/1354519471.db2.gz QTFGCULNBFJADC-INIZCTEOSA-N 2 2 330.476 2.382 10 30 EEEELP C=C(C)CC[N@@H+](CCCNC(=O)[C@H]1CCn2cc[nH+]c2C1)C1CC1 ZINC001660699833 1354519473 /nfs/dbraw/zinc/51/94/73/1354519473.db2.gz QTFGCULNBFJADC-INIZCTEOSA-N 2 2 330.476 2.382 10 30 EEEELP C=C(C)C[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[N@@H+](C)Cc1ccccc1 ZINC001661279939 1354623165 /nfs/dbraw/zinc/62/31/65/1354623165.db2.gz HPOGZGQATRBXQZ-KDURUIRLSA-N 2 2 327.472 2.370 10 30 EEEELP C=C(C)C[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[N@H+](C)Cc1ccccc1 ZINC001661279939 1354623170 /nfs/dbraw/zinc/62/31/70/1354623170.db2.gz HPOGZGQATRBXQZ-KDURUIRLSA-N 2 2 327.472 2.370 10 30 EEEELP C=C(C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[NH+](C)Cc1ccccc1 ZINC001661279939 1354623173 /nfs/dbraw/zinc/62/31/73/1354623173.db2.gz HPOGZGQATRBXQZ-KDURUIRLSA-N 2 2 327.472 2.370 10 30 EEEELP C=C(C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[NH+](C)Cc1ccccc1 ZINC001661279939 1354623177 /nfs/dbraw/zinc/62/31/77/1354623177.db2.gz HPOGZGQATRBXQZ-KDURUIRLSA-N 2 2 327.472 2.370 10 30 EEEELP C=C(C)CC[NH2+][C@@H](CC)CNC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC001665835096 1355397327 /nfs/dbraw/zinc/39/73/27/1355397327.db2.gz VANYUFJKEHCIGL-FUHWJXTLSA-N 2 2 337.508 2.080 10 30 EEEELP C=C(C)CC[NH2+][C@@H](CC)CNC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC001665835096 1355397331 /nfs/dbraw/zinc/39/73/31/1355397331.db2.gz VANYUFJKEHCIGL-FUHWJXTLSA-N 2 2 337.508 2.080 10 30 EEEELP C=C(C)C[NH2+][C@H]1CN(C(=O)Cc2cn3cccc(C)c3[nH+]2)C[C@H]1C ZINC000939317455 776306030 /nfs/dbraw/zinc/30/60/30/776306030.db2.gz XBKMWCBKVRNLGI-WBVHZDCISA-N 2 2 326.444 2.198 10 30 EEEELP C=C(Cl)C[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001437020024 1088809106 /nfs/dbraw/zinc/80/91/06/1088809106.db2.gz LPEROACZCZNECP-RRFJBIMHSA-N 2 2 336.867 2.104 10 30 EEEELP C[C@H](C[N@H+](C)Cc1cc(F)ccc1C#N)NC(=O)[C@H]1CCCC[NH+]1C ZINC001439346745 1092054238 /nfs/dbraw/zinc/05/42/38/1092054238.db2.gz YKTSWCZJIKJEEO-RDTXWAMCSA-N 2 2 346.450 2.118 10 30 EEEELP C[C@H](C[N@@H+](C)Cc1cc(F)ccc1C#N)NC(=O)[C@H]1CCCC[NH+]1C ZINC001439346745 1092054252 /nfs/dbraw/zinc/05/42/52/1092054252.db2.gz YKTSWCZJIKJEEO-RDTXWAMCSA-N 2 2 346.450 2.118 10 30 EEEELP C[C@H](C[NH+](C)Cc1cc(F)ccc1C#N)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001439346745 1092054262 /nfs/dbraw/zinc/05/42/62/1092054262.db2.gz YKTSWCZJIKJEEO-RDTXWAMCSA-N 2 2 346.450 2.118 10 30 EEEELP C[C@H](C[NH+](C)Cc1cc(F)ccc1C#N)NC(=O)[C@H]1CCCC[N@H+]1C ZINC001439346745 1092054273 /nfs/dbraw/zinc/05/42/73/1092054273.db2.gz YKTSWCZJIKJEEO-RDTXWAMCSA-N 2 2 346.450 2.118 10 30 EEEELP CC[C@H](C(=O)N[C@H]1CC[N@H+](Cc2ccc(C#N)c(F)c2)[C@@H]1C)[NH+](C)C ZINC001440498873 1093738362 /nfs/dbraw/zinc/73/83/62/1093738362.db2.gz VPTSUHUFERZERG-JEBQAFNWSA-N 2 2 346.450 2.117 10 30 EEEELP CC[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C#N)c(F)c2)[C@@H]1C)[NH+](C)C ZINC001440498873 1093738365 /nfs/dbraw/zinc/73/83/65/1093738365.db2.gz VPTSUHUFERZERG-JEBQAFNWSA-N 2 2 346.450 2.117 10 30 EEEELP C=CCCC[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001480263870 1099952441 /nfs/dbraw/zinc/95/24/41/1099952441.db2.gz STGMWPYASJVKAE-GVDBMIGSSA-N 2 2 330.476 2.318 10 30 EEEELP C=CCCC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001480263870 1099952452 /nfs/dbraw/zinc/95/24/52/1099952452.db2.gz STGMWPYASJVKAE-GVDBMIGSSA-N 2 2 330.476 2.318 10 30 EEEELP C=CCOCC[NH2+][C@@H]1CCC[C@@H](NC(=O)c2cccc3[nH+]ccn32)C1 ZINC001480702307 1106915650 /nfs/dbraw/zinc/91/56/50/1106915650.db2.gz LHOFRWCGQKVUCJ-HZPDHXFCSA-N 2 2 342.443 2.168 10 30 EEEELP O=C(NCc1cn2c([nH+]1)CCCC2)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000328793964 539761063 /nfs/dbraw/zinc/76/10/63/539761063.db2.gz SEYKBDKKCVDWTK-MRXNPFEDSA-N 2 2 331.464 2.194 10 30 EEEELP Cc1cn2c([nH+]1)[C@H](CNC(=O)N1C[C@@H]3CCC[N@H+]3C[C@@H]1C)CCC2 ZINC000328651209 465090026 /nfs/dbraw/zinc/09/00/26/465090026.db2.gz BHRUGQZZPBIWSB-JYJNAYRXSA-N 2 2 331.464 2.151 10 30 EEEELP Cc1cn2c([nH+]1)[C@H](CNC(=O)N1C[C@@H]3CCC[N@@H+]3C[C@@H]1C)CCC2 ZINC000328651209 465090031 /nfs/dbraw/zinc/09/00/31/465090031.db2.gz BHRUGQZZPBIWSB-JYJNAYRXSA-N 2 2 331.464 2.151 10 30 EEEELP C=CCc1cc(C[NH2+]C[C@@H]2CCCC[N@@H+]2CCO)cc(OC)c1O ZINC000449398998 467639594 /nfs/dbraw/zinc/63/95/94/467639594.db2.gz ZKFHKCKXMNYUME-KRWDZBQOSA-N 2 2 334.460 2.066 10 30 EEEELP C=CCc1cc(C[NH2+]C[C@@H]2CCCC[N@H+]2CCO)cc(OC)c1O ZINC000449398998 467639598 /nfs/dbraw/zinc/63/95/98/467639598.db2.gz ZKFHKCKXMNYUME-KRWDZBQOSA-N 2 2 334.460 2.066 10 30 EEEELP N#CCCCC[C@@H]([NH3+])C(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000594440272 468589382 /nfs/dbraw/zinc/58/93/82/468589382.db2.gz BJMLPLRYKHOVJE-MRXNPFEDSA-N 2 2 329.448 2.099 10 30 EEEELP C=CC[C@H]1CC[C@H]([NH2+]CCC[NH+]2CCN(c3ncccn3)CC2)C1 ZINC000651674663 471080263 /nfs/dbraw/zinc/08/02/63/471080263.db2.gz ZGLXUOSFLGNTNR-ROUUACIJSA-N 2 2 329.492 2.323 10 30 EEEELP C[C@@H]1COC2(CCC2)C[NH+]1CC#CC[N@H+]1CC2(CCC2)OC[C@@H]1C ZINC000661470386 471768112 /nfs/dbraw/zinc/76/81/12/471768112.db2.gz SVBGGHMRTZHBEG-HDICACEKSA-N 2 2 332.488 2.277 10 30 EEEELP C[C@@H]1COC2(CCC2)C[NH+]1CC#CC[N@@H+]1CC2(CCC2)OC[C@@H]1C ZINC000661470386 471768114 /nfs/dbraw/zinc/76/81/14/471768114.db2.gz SVBGGHMRTZHBEG-HDICACEKSA-N 2 2 332.488 2.277 10 30 EEEELP C[C@@H]1COC2(CCC2)C[N@H+]1CC#CC[NH+]1CC2(CCC2)OC[C@@H]1C ZINC000661470386 471768120 /nfs/dbraw/zinc/76/81/20/471768120.db2.gz SVBGGHMRTZHBEG-HDICACEKSA-N 2 2 332.488 2.277 10 30 EEEELP C[C@@H]1COC2(CCC2)C[N@@H+]1CC#CC[NH+]1CC2(CCC2)OC[C@@H]1C ZINC000661470386 471768124 /nfs/dbraw/zinc/76/81/24/471768124.db2.gz SVBGGHMRTZHBEG-HDICACEKSA-N 2 2 332.488 2.277 10 30 EEEELP C#CC[N@H+]1CCC[C@@H]1COC(=O)[C@H]1CCC[NH+]1Cc1ccccc1 ZINC000768792216 577562677 /nfs/dbraw/zinc/56/26/77/577562677.db2.gz MJHJZDXINWMFDW-RTBURBONSA-N 2 2 326.440 2.292 10 30 EEEELP C#CC[N@@H+]1CCC[C@@H]1COC(=O)[C@H]1CCC[NH+]1Cc1ccccc1 ZINC000768792216 577562678 /nfs/dbraw/zinc/56/26/78/577562678.db2.gz MJHJZDXINWMFDW-RTBURBONSA-N 2 2 326.440 2.292 10 30 EEEELP C#CC[NH+]1CCC[C@@H]1COC(=O)[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000768792216 577562679 /nfs/dbraw/zinc/56/26/79/577562679.db2.gz MJHJZDXINWMFDW-RTBURBONSA-N 2 2 326.440 2.292 10 30 EEEELP C#CC[NH+]1CCC[C@@H]1COC(=O)[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000768792216 577562680 /nfs/dbraw/zinc/56/26/80/577562680.db2.gz MJHJZDXINWMFDW-RTBURBONSA-N 2 2 326.440 2.292 10 30 EEEELP C[NH+]1CCC(C/N=C\c2ccc(O)c(O)c2O)([NH+]2CCCCC2)CC1 ZINC000255551614 678673545 /nfs/dbraw/zinc/67/35/45/678673545.db2.gz BKDYKYYXRYSLBM-MOSHPQCFSA-N 2 2 347.459 2.173 10 30 EEEELP C#CCC[N@H+]1CCC[C@H]([C@H](C)NC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001266891818 1177727808 /nfs/dbraw/zinc/72/78/08/1177727808.db2.gz RNLWRZJTRVGZRK-IRXDYDNUSA-N 2 2 330.476 2.167 10 30 EEEELP C#CCC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001266891818 1177727811 /nfs/dbraw/zinc/72/78/11/1177727811.db2.gz RNLWRZJTRVGZRK-IRXDYDNUSA-N 2 2 330.476 2.167 10 30 EEEELP C=C(Cl)C[NH2+]CCc1ccc(CNC(=O)Cn2cc[nH+]c2)cc1 ZINC001267098057 1178234758 /nfs/dbraw/zinc/23/47/58/1178234758.db2.gz CUFDTYFWFNSZMU-UHFFFAOYSA-N 2 2 332.835 2.084 10 30 EEEELP C#CC[NH2+][C@H](CNC(=O)C[C@@H](C)n1cc[nH+]c1CC)c1ccccc1 ZINC001481367808 1181141257 /nfs/dbraw/zinc/14/12/57/1181141257.db2.gz ZKRBTBAAEKNKQZ-SJLPKXTDSA-N 2 2 338.455 2.477 10 30 EEEELP CC[C@@H](C(=O)NCC1C[NH+](CC#Cc2ccccc2)C1)[NH+](CC)CC ZINC001481645867 1182062990 /nfs/dbraw/zinc/06/29/90/1182062990.db2.gz ZEUVFQJOJHBEOK-FQEVSTJZSA-N 2 2 341.499 2.207 10 30 EEEELP C#CCC[NH2+]C[C@@H](NC(=O)[C@H]1CCc2c[nH+]cn2C1)C1CCCCC1 ZINC001482405677 1185628880 /nfs/dbraw/zinc/62/88/80/1185628880.db2.gz HEOVAWGHRYQBIC-PKOBYXMFSA-N 2 2 342.487 2.124 10 30 EEEELP C=C(C)C[NH2+]C[C@@H](CC(C)C)NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001271261378 1186110561 /nfs/dbraw/zinc/11/05/61/1186110561.db2.gz JPUHBIKNQDTVNU-MRXNPFEDSA-N 2 2 332.492 2.459 10 30 EEEELP C#CCC[NH2+]C[C@H]1CC[C@H](CNC(=O)Cc2c[nH+]ccc2OC)CC1 ZINC001271770761 1186472463 /nfs/dbraw/zinc/47/24/63/1186472463.db2.gz XDEVCIZWIHLRIG-QAQDUYKDSA-N 2 2 343.471 2.168 10 30 EEEELP C[C@@H](CC[NH2+]Cc1ccccc1C#N)NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001482878983 1187797927 /nfs/dbraw/zinc/79/79/27/1187797927.db2.gz VWKKLLSZOYQYFF-GJZGRUSLSA-N 2 2 339.443 2.145 10 30 EEEELP C[C@@H](CC[NH2+]Cc1ccccc1C#N)NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001482878983 1187797929 /nfs/dbraw/zinc/79/79/29/1187797929.db2.gz VWKKLLSZOYQYFF-GJZGRUSLSA-N 2 2 339.443 2.145 10 30 EEEELP C#CCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001483806177 1191051921 /nfs/dbraw/zinc/05/19/21/1191051921.db2.gz PWMIOUVYTUMJTR-CSNJMZFVSA-N 2 2 328.460 2.359 10 30 EEEELP C=CCCC[NH2+][C@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1(C)C ZINC001486242369 1193768522 /nfs/dbraw/zinc/76/85/22/1193768522.db2.gz IOXHYJWXTPGEPO-INMHGKMJSA-N 2 2 330.476 2.316 10 30 EEEELP C=CCC[NH2+][C@@H]1CN(C(=O)Cc2cn3cccc(C)c3[nH+]2)C[C@@H]1C ZINC001274271727 1204982104 /nfs/dbraw/zinc/98/21/04/1204982104.db2.gz XBSULMWAAMWPGH-DOTOQJQBSA-N 2 2 326.444 2.198 10 30 EEEELP C=CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)CCc1c[nH+]cn1C ZINC001274856010 1205189011 /nfs/dbraw/zinc/18/90/11/1205189011.db2.gz HZFFFSPWGJTNAI-IBGZPJMESA-N 2 2 338.455 2.254 10 30 EEEELP C=CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)CCc1c[nH+]cn1C ZINC001274856010 1205189014 /nfs/dbraw/zinc/18/90/14/1205189014.db2.gz HZFFFSPWGJTNAI-IBGZPJMESA-N 2 2 338.455 2.254 10 30 EEEELP C=CCCC[NH2+]C[C@@H]1CCCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001491156168 1258732976 /nfs/dbraw/zinc/73/29/76/1258732976.db2.gz IXRABFSWZXGDRF-IRXDYDNUSA-N 2 2 330.476 2.240 10 30 EEEELP CCCCCCC[NH+]1CC2(C1)C[C@H](NC(=O)Cn1c[nH+]cc1C)CO2 ZINC001273705415 1283708500 /nfs/dbraw/zinc/70/85/00/1283708500.db2.gz SRYNMONVDLTCAK-KRWDZBQOSA-N 2 2 348.491 2.121 10 30 EEEELP C=CCOCC[NH2+]C[C@H]1CCCN1C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001277851887 1304904670 /nfs/dbraw/zinc/90/46/70/1304904670.db2.gz PYCCYFPLJCGKOV-QGZVFWFLSA-N 2 2 342.443 2.040 10 30 EEEELP C#CCN(C(=O)Cc1c[nH+]c[nH]1)C1CC[NH+](CC/C=C/CC)CC1 ZINC001278183971 1306209026 /nfs/dbraw/zinc/20/90/26/1306209026.db2.gz FQLOEKTXJUAXQB-AATRIKPKSA-N 2 2 328.460 2.235 10 30 EEEELP C=CCCC[N@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH+]ccc3OC)C[C@@H]2C1 ZINC001264090746 1322616574 /nfs/dbraw/zinc/61/65/74/1322616574.db2.gz BTDYCVICPMURAV-AEFFLSMTSA-N 2 2 343.471 2.379 10 30 EEEELP C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH+]ccc3OC)C[C@@H]2C1 ZINC001264090746 1322616581 /nfs/dbraw/zinc/61/65/81/1322616581.db2.gz BTDYCVICPMURAV-AEFFLSMTSA-N 2 2 343.471 2.379 10 30 EEEELP C=CCCC[N@H+]1CC=C(CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC001279590432 1323951180 /nfs/dbraw/zinc/95/11/80/1323951180.db2.gz BATVFNXJPQIWDR-QGZVFWFLSA-N 2 2 328.460 2.160 10 30 EEEELP C=CCCC[N@@H+]1CC=C(CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC001279590432 1323951183 /nfs/dbraw/zinc/95/11/83/1323951183.db2.gz BATVFNXJPQIWDR-QGZVFWFLSA-N 2 2 328.460 2.160 10 30 EEEELP C=C(C)CC[NH2+]CC1CC(NC(=O)c2cc([C@@H]3CCC[N@H+]3C)n[nH]2)C1 ZINC001282010802 1325569201 /nfs/dbraw/zinc/56/92/01/1325569201.db2.gz MMVBXFFRLLFZKL-JMLCCBQJSA-N 2 2 345.491 2.241 10 30 EEEELP C=C(C)CC[NH2+]CC1CC(NC(=O)c2cc([C@@H]3CCC[N@@H+]3C)n[nH]2)C1 ZINC001282010802 1325569209 /nfs/dbraw/zinc/56/92/09/1325569209.db2.gz MMVBXFFRLLFZKL-JMLCCBQJSA-N 2 2 345.491 2.241 10 30 EEEELP C[C@H](CNC(=O)C[C@@H](C)n1cc[nH+]c1)[NH2+]Cc1ccccc1C#N ZINC001491595173 1330178131 /nfs/dbraw/zinc/17/81/31/1330178131.db2.gz MSKCRHIRFJQBGT-HUUCEWRRSA-N 2 2 325.416 2.000 10 30 EEEELP C=CCC[N@H+]1CC[C@H](N(CCC)C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001317762281 1332400509 /nfs/dbraw/zinc/40/05/09/1332400509.db2.gz WDQMBDQKEPDJNT-SJORKVTESA-N 2 2 330.476 2.335 10 30 EEEELP C=CCC[N@@H+]1CC[C@H](N(CCC)C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001317762281 1332400511 /nfs/dbraw/zinc/40/05/11/1332400511.db2.gz WDQMBDQKEPDJNT-SJORKVTESA-N 2 2 330.476 2.335 10 30 EEEELP C#CC[NH2+]CC[C@@H]1CCCN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001318806339 1332601786 /nfs/dbraw/zinc/60/17/86/1332601786.db2.gz UWNLDAPZZXQIDQ-ROUUACIJSA-N 2 2 330.476 2.322 10 30 EEEELP C#CCN(C(=O)[C@@H](C)Cc1c[nH]c[nH+]1)C1CC[NH+](CCC2CC2)CC1 ZINC001324426152 1333679936 /nfs/dbraw/zinc/67/99/36/1333679936.db2.gz GFOJSULIADGMGR-INIZCTEOSA-N 2 2 342.487 2.315 10 30 EEEELP C#CCN(C(=O)[C@@H](C)Cc1c[nH+]c[nH]1)C1CC[NH+](CCC2CC2)CC1 ZINC001324426152 1333679940 /nfs/dbraw/zinc/67/99/40/1333679940.db2.gz GFOJSULIADGMGR-INIZCTEOSA-N 2 2 342.487 2.315 10 30 EEEELP C=CCCC[N@@H+]1CC[C@@]2(NC(=O)CCc3[nH+]ccn3C)CCC[C@H]12 ZINC001332100922 1335729052 /nfs/dbraw/zinc/72/90/52/1335729052.db2.gz QKBYMJFAKUFTFH-LPHOPBHVSA-N 2 2 330.476 2.432 10 30 EEEELP C=CCCC[N@H+]1CC[C@@]2(NC(=O)CCc3[nH+]ccn3C)CCC[C@H]12 ZINC001332100922 1335729055 /nfs/dbraw/zinc/72/90/55/1335729055.db2.gz QKBYMJFAKUFTFH-LPHOPBHVSA-N 2 2 330.476 2.432 10 30 EEEELP C=CC[NH2+]CCc1ccc(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)cc1 ZINC001662813605 1354852656 /nfs/dbraw/zinc/85/26/56/1354852656.db2.gz DFALDPDBGRONJL-QZTJIDSGSA-N 2 2 338.455 2.158 10 30 EEEELP C=CC[NH+]1CCC(C)(CNC(=O)Cc2cn3c([nH+]2)CCCC3)CC1 ZINC001671839420 1356423759 /nfs/dbraw/zinc/42/37/59/1356423759.db2.gz HSUXCLGYFCRDDV-UHFFFAOYSA-N 2 2 330.476 2.166 10 30 EEEELP C#CC[N@H+]1CCC2(C1)CCN(C(=O)[C@@H](CC(C)C)n1cc[nH+]c1)CC2 ZINC001698735519 1405034421 /nfs/dbraw/zinc/03/44/21/1405034421.db2.gz IYLGTGOCFNUBLW-GOSISDBHSA-N 2 2 342.487 2.418 10 30 EEEELP C#CC[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H](CC(C)C)n1cc[nH+]c1)CC2 ZINC001698735519 1405034429 /nfs/dbraw/zinc/03/44/29/1405034429.db2.gz IYLGTGOCFNUBLW-GOSISDBHSA-N 2 2 342.487 2.418 10 30 EEEELP C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)C(C)(C)C1 ZINC000940850450 779390894 /nfs/dbraw/zinc/39/08/94/779390894.db2.gz FOBROJFMOABKAR-WBVHZDCISA-N 2 2 330.476 2.238 10 30 EEEELP C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)C(C)(C)C1 ZINC000940850450 779390896 /nfs/dbraw/zinc/39/08/96/779390896.db2.gz FOBROJFMOABKAR-WBVHZDCISA-N 2 2 330.476 2.238 10 30 EEEELP C=CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)C(C)(C)C1 ZINC000940847386 779409718 /nfs/dbraw/zinc/40/97/18/779409718.db2.gz WOGUBDINJXHILY-NVXWUHKLSA-N 2 2 330.476 2.238 10 30 EEEELP C=CCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)C(C)(C)C1 ZINC000940847386 779409723 /nfs/dbraw/zinc/40/97/23/779409723.db2.gz WOGUBDINJXHILY-NVXWUHKLSA-N 2 2 330.476 2.238 10 30 EEEELP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCCC[N@H+](C)Cc1ccc(C#N)cc1 ZINC001566498549 1125666556 /nfs/dbraw/zinc/66/65/56/1125666556.db2.gz JUUVTPIGMFIPEL-OAHLLOKOSA-N 2 2 339.443 2.098 10 30 EEEELP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCCC[N@@H+](C)Cc1ccc(C#N)cc1 ZINC001566498549 1125666559 /nfs/dbraw/zinc/66/65/59/1125666559.db2.gz JUUVTPIGMFIPEL-OAHLLOKOSA-N 2 2 339.443 2.098 10 30 EEEELP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCCC[N@H+](C)Cc1ccc(C#N)cc1 ZINC001566498549 1125666563 /nfs/dbraw/zinc/66/65/63/1125666563.db2.gz JUUVTPIGMFIPEL-OAHLLOKOSA-N 2 2 339.443 2.098 10 30 EEEELP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCCC[N@@H+](C)Cc1ccc(C#N)cc1 ZINC001566498549 1125666566 /nfs/dbraw/zinc/66/65/66/1125666566.db2.gz JUUVTPIGMFIPEL-OAHLLOKOSA-N 2 2 339.443 2.098 10 30 EEEELP C[C@@H](C[NH2+]Cc1ccccc1C#N)N(C)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001438710895 1091228936 /nfs/dbraw/zinc/22/89/36/1091228936.db2.gz SGSGTPIPCYRTOB-AWEZNQCLSA-N 2 2 339.443 2.196 10 30 EEEELP C=C(Cl)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H](F)C[NH+](CC)CC ZINC001447155987 1102101448 /nfs/dbraw/zinc/10/14/48/1102101448.db2.gz JXFVGMLRCAPRFI-HRCADAONSA-N 2 2 345.890 2.484 10 30 EEEELP C=C(Cl)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H](F)C[NH+](CC)CC ZINC001447155987 1102101455 /nfs/dbraw/zinc/10/14/55/1102101455.db2.gz JXFVGMLRCAPRFI-HRCADAONSA-N 2 2 345.890 2.484 10 30 EEEELP CC#CC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)Cc2cn3cccc(C)c3[nH+]2)C1 ZINC001501075976 1113190301 /nfs/dbraw/zinc/19/03/01/1113190301.db2.gz KPLJBGJOXBFYIW-DLBZAZTESA-N 2 2 338.455 2.035 10 30 EEEELP C=CCOCC[NH2+]CC[C@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001501582106 1113390217 /nfs/dbraw/zinc/39/02/17/1113390217.db2.gz QZOWINRSEGVIFV-HNNXBMFYSA-N 2 2 342.443 2.207 10 30 EEEELP C#CCC[N@H+]1CCc2c(CNC(=O)CCc3c[nH]c[nH+]3)cccc2C1 ZINC001501853878 1113497873 /nfs/dbraw/zinc/49/78/73/1113497873.db2.gz HKSRYRSFQLZIQR-UHFFFAOYSA-N 2 2 336.439 2.040 10 30 EEEELP C#CCC[N@@H+]1CCc2c(CNC(=O)CCc3c[nH]c[nH+]3)cccc2C1 ZINC001501853878 1113497874 /nfs/dbraw/zinc/49/78/74/1113497874.db2.gz HKSRYRSFQLZIQR-UHFFFAOYSA-N 2 2 336.439 2.040 10 30 EEEELP C#CCC[N@H+]1CCc2c(CNC(=O)CCc3c[nH+]c[nH]3)cccc2C1 ZINC001501853878 1113497875 /nfs/dbraw/zinc/49/78/75/1113497875.db2.gz HKSRYRSFQLZIQR-UHFFFAOYSA-N 2 2 336.439 2.040 10 30 EEEELP C#CCC[N@@H+]1CCc2c(CNC(=O)CCc3c[nH+]c[nH]3)cccc2C1 ZINC001501853878 1113497876 /nfs/dbraw/zinc/49/78/76/1113497876.db2.gz HKSRYRSFQLZIQR-UHFFFAOYSA-N 2 2 336.439 2.040 10 30 EEEELP CC#CC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001505415261 1113949508 /nfs/dbraw/zinc/94/95/08/1113949508.db2.gz HSHXZWFLOIMZLP-XFQXTVEOSA-N 2 2 336.439 2.229 10 30 EEEELP C=CCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1(C)C ZINC001507440485 1115270605 /nfs/dbraw/zinc/27/06/05/1115270605.db2.gz RWETXKHUJNGUOB-NVXWUHKLSA-N 2 2 330.476 2.238 10 30 EEEELP N#Cc1ccc(C[NH2+]C[C@H](O)C[NH+]2CCCC2)c(C(F)(F)F)c1 ZINC000352822658 162300108 /nfs/dbraw/zinc/30/01/08/162300108.db2.gz KQPHLUIXVBPVST-AWEZNQCLSA-N 2 2 327.350 2.123 10 30 EEEELP C[NH+]1CCN([C@H]2CCCC[N@H+](Cc3ccc(F)c(C#N)c3)C2)CC1 ZINC000182892023 464750460 /nfs/dbraw/zinc/75/04/60/464750460.db2.gz AECUOBHLEFZEJN-SFHVURJKSA-N 2 2 330.451 2.299 10 30 EEEELP Cc1cc(C[NH+]2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)ccc1C#N ZINC000487912008 468059563 /nfs/dbraw/zinc/05/95/63/468059563.db2.gz QJDWXMRKSFYCJX-FQEVSTJZSA-N 2 2 326.488 2.469 10 30 EEEELP Cc1cc(C[NH+]2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)ccc1C#N ZINC000487912008 468059567 /nfs/dbraw/zinc/05/95/67/468059567.db2.gz QJDWXMRKSFYCJX-FQEVSTJZSA-N 2 2 326.488 2.469 10 30 EEEELP C[C@H](c1ccncc1)[NH+]1CCC([NH2+]C[C@H](O)CC2(C#N)CC2)CC1 ZINC000600729736 468639519 /nfs/dbraw/zinc/63/95/19/468639519.db2.gz XMVKZUDCWRRNOU-CRAIPNDOSA-N 2 2 328.460 2.251 10 30 EEEELP C#CC[N@H+]1CCC[C@H]1COC(=O)[C@H]1CCC[NH+]1Cc1ccccc1 ZINC000768792213 577562668 /nfs/dbraw/zinc/56/26/68/577562668.db2.gz MJHJZDXINWMFDW-RBUKOAKNSA-N 2 2 326.440 2.292 10 30 EEEELP C#CC[N@@H+]1CCC[C@H]1COC(=O)[C@H]1CCC[NH+]1Cc1ccccc1 ZINC000768792213 577562669 /nfs/dbraw/zinc/56/26/69/577562669.db2.gz MJHJZDXINWMFDW-RBUKOAKNSA-N 2 2 326.440 2.292 10 30 EEEELP C#CC[NH+]1CCC[C@H]1COC(=O)[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000768792213 577562670 /nfs/dbraw/zinc/56/26/70/577562670.db2.gz MJHJZDXINWMFDW-RBUKOAKNSA-N 2 2 326.440 2.292 10 30 EEEELP C#CC[NH+]1CCC[C@H]1COC(=O)[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000768792213 577562671 /nfs/dbraw/zinc/56/26/71/577562671.db2.gz MJHJZDXINWMFDW-RBUKOAKNSA-N 2 2 326.440 2.292 10 30 EEEELP C#CC[N@@H+](CC(=O)N1CC[NH+](Cc2ccccc2)CC1)C1CCCC1 ZINC000756911408 577853047 /nfs/dbraw/zinc/85/30/47/577853047.db2.gz NXMJWRNDIUFIBD-UHFFFAOYSA-N 2 2 339.483 2.209 10 30 EEEELP C#CC[N@H+](CC(=O)N1CC[NH+](Cc2ccccc2)CC1)C1CCCC1 ZINC000756911408 577853048 /nfs/dbraw/zinc/85/30/48/577853048.db2.gz NXMJWRNDIUFIBD-UHFFFAOYSA-N 2 2 339.483 2.209 10 30 EEEELP C#CCN(C(=O)CCc1c[nH+]cn1C)C1CC[NH+](CC2CCC2)CC1 ZINC001671504275 1176861414 /nfs/dbraw/zinc/86/14/14/1176861414.db2.gz VNLFFXZLENZOTL-UHFFFAOYSA-N 2 2 342.487 2.079 10 30 EEEELP C=CCC[NH2+]C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CC[C@H]1C(F)(F)F ZINC001691444995 1178827981 /nfs/dbraw/zinc/82/79/81/1178827981.db2.gz AGOCCPQCZQXZOC-CHWSQXEVSA-N 2 2 344.381 2.145 10 30 EEEELP C=CCCCCC[NH+]1CC(NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001267656147 1180112508 /nfs/dbraw/zinc/11/25/08/1180112508.db2.gz FUDYRQBFDKZYLZ-INIZCTEOSA-N 2 2 330.476 2.301 10 30 EEEELP CC[C@H](CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1)[NH2+]Cc1ccc(C#N)cc1 ZINC001481858657 1182810619 /nfs/dbraw/zinc/81/06/19/1182810619.db2.gz ZBIYTUSSMSLLFF-WMLDXEAASA-N 2 2 339.443 2.145 10 30 EEEELP CC[C@H](CNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1)[NH2+]Cc1ccc(C#N)cc1 ZINC001481858657 1182810630 /nfs/dbraw/zinc/81/06/30/1182810630.db2.gz ZBIYTUSSMSLLFF-WMLDXEAASA-N 2 2 339.443 2.145 10 30 EEEELP C=CC[NH2+]CC[C@H]1CCCN(C(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001481977309 1183066862 /nfs/dbraw/zinc/06/68/62/1183066862.db2.gz NPVVFLMFHBLRAN-MRXNPFEDSA-N 2 2 330.476 2.166 10 30 EEEELP C=CCCC[NH+]1CCOC[C@@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001272893304 1193593301 /nfs/dbraw/zinc/59/33/01/1193593301.db2.gz KNPPETVKXBVNOX-ROUUACIJSA-N 2 2 337.508 2.033 10 30 EEEELP C=CCCC[NH+]1CCOC[C@@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001272893304 1193593302 /nfs/dbraw/zinc/59/33/02/1193593302.db2.gz KNPPETVKXBVNOX-ROUUACIJSA-N 2 2 337.508 2.033 10 30 EEEELP C=CCCC[N@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001272893304 1193593304 /nfs/dbraw/zinc/59/33/04/1193593304.db2.gz KNPPETVKXBVNOX-ROUUACIJSA-N 2 2 337.508 2.033 10 30 EEEELP C=CCCC[N@@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001272893304 1193593306 /nfs/dbraw/zinc/59/33/06/1193593306.db2.gz KNPPETVKXBVNOX-ROUUACIJSA-N 2 2 337.508 2.033 10 30 EEEELP C#CCN(C(=O)CCc1c[nH+]cn1C)C1CC[NH+](C/C=C\Cl)CC1 ZINC001483989726 1191144681 /nfs/dbraw/zinc/14/46/81/1191144681.db2.gz VHKISMUAMKQPGE-WTKPLQERSA-N 2 2 348.878 2.031 10 30 EEEELP C=C(Cl)C[C@H]([NH3+])C(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000876754035 1199757317 /nfs/dbraw/zinc/75/73/17/1199757317.db2.gz AQSADCHIZWHQOY-BBRMVZONSA-N 2 2 337.851 2.488 10 30 EEEELP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@H](C)c2cccc(C#N)c2O)CC1 ZINC000866261139 1201479137 /nfs/dbraw/zinc/47/91/37/1201479137.db2.gz ZVYZKRIABWTCLJ-JKSUJKDBSA-N 2 2 330.476 2.188 10 30 EEEELP C#CCC[NH2+]CC[C@@H]1[C@H](C)CCCN1C(=O)CCCn1cc[nH+]c1 ZINC001691737065 1210827708 /nfs/dbraw/zinc/82/77/08/1210827708.db2.gz ADUHONVJZIUMOF-QZTJIDSGSA-N 2 2 330.476 2.293 10 30 EEEELP CC[C@H](C(=O)N(C)C[C@H]1CC[N@@H+]1CC#Cc1ccc(F)cc1)[NH+](C)C ZINC001264363610 1322672293 /nfs/dbraw/zinc/67/22/93/1322672293.db2.gz XOZWCRITXIFXAY-RTBURBONSA-N 2 2 345.462 2.050 10 30 EEEELP CC[C@H](C(=O)N(C)C[C@H]1CC[N@H+]1CC#Cc1ccc(F)cc1)[NH+](C)C ZINC001264363610 1322672295 /nfs/dbraw/zinc/67/22/95/1322672295.db2.gz XOZWCRITXIFXAY-RTBURBONSA-N 2 2 345.462 2.050 10 30 EEEELP C=C(Cl)C[N@H+]1CC=C(CNC(=O)CCCn2cc[nH+]c2C)CC1 ZINC001279653774 1323970817 /nfs/dbraw/zinc/97/08/17/1323970817.db2.gz HNWFMDYTXMJQPA-UHFFFAOYSA-N 2 2 336.867 2.473 10 30 EEEELP C=C(Cl)C[N@@H+]1CC=C(CNC(=O)CCCn2cc[nH+]c2C)CC1 ZINC001279653774 1323970820 /nfs/dbraw/zinc/97/08/20/1323970820.db2.gz HNWFMDYTXMJQPA-UHFFFAOYSA-N 2 2 336.867 2.473 10 30 EEEELP C=C(C)C[NH2+]Cc1ccc(CNC(=O)[C@H]2CCn3cc[nH+]c3C2)cc1 ZINC001318996826 1332634907 /nfs/dbraw/zinc/63/49/07/1332634907.db2.gz WEQHMAPOUCSGPP-SFHVURJKSA-N 2 2 338.455 2.428 10 30 EEEELP C#CCN(C(=O)Cc1c[nH+]c[nH]1)C1CC[NH+](CCCC(C)C)CC1 ZINC001324427017 1333680844 /nfs/dbraw/zinc/68/08/44/1333680844.db2.gz RDMOCWFHFRPCLT-UHFFFAOYSA-N 2 2 330.476 2.315 10 30 EEEELP C=CC[N@H+]1CCc2c(CNC(=O)CCc3[nH+]ccn3C)cccc2C1 ZINC001326674494 1334140791 /nfs/dbraw/zinc/14/07/91/1334140791.db2.gz JLQTZJZBOMAMGQ-UHFFFAOYSA-N 2 2 338.455 2.213 10 30 EEEELP C=CC[N@@H+]1CCc2c(CNC(=O)CCc3[nH+]ccn3C)cccc2C1 ZINC001326674494 1334140794 /nfs/dbraw/zinc/14/07/94/1334140794.db2.gz JLQTZJZBOMAMGQ-UHFFFAOYSA-N 2 2 338.455 2.213 10 30 EEEELP C=CCCC[NH2+]C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C(F)(F)F ZINC001332471491 1335830992 /nfs/dbraw/zinc/83/09/92/1335830992.db2.gz MZPITHXIFJUQIS-CHWSQXEVSA-N 2 2 344.381 2.145 10 30 EEEELP C=CC[NH2+]C[C@@H](NC(=O)[C@H]1COCC[N@@H+]1C1CCCC1)C1CCCC1 ZINC001569611002 1342907878 /nfs/dbraw/zinc/90/78/78/1342907878.db2.gz YUSTXEAOJOWXJM-RTBURBONSA-N 2 2 349.519 2.080 10 30 EEEELP C=CC[NH2+]C[C@@H](NC(=O)[C@H]1COCC[N@H+]1C1CCCC1)C1CCCC1 ZINC001569611002 1342907879 /nfs/dbraw/zinc/90/78/79/1342907879.db2.gz YUSTXEAOJOWXJM-RTBURBONSA-N 2 2 349.519 2.080 10 30 EEEELP CC#CC[C@H](CO)[NH2+]Cc1ccc(OCCn2cc[nH+]c2)c(Cl)c1 ZINC001658212195 1354356741 /nfs/dbraw/zinc/35/67/41/1354356741.db2.gz YCOKLPZYDZIQLQ-MRXNPFEDSA-N 2 2 347.846 2.479 10 30 EEEELP CC#CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001662844186 1354862511 /nfs/dbraw/zinc/86/25/11/1354862511.db2.gz DUIRIPRJILTXGL-QZTJIDSGSA-N 2 2 330.476 2.416 10 30 EEEELP CC#CC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001662844186 1354862513 /nfs/dbraw/zinc/86/25/13/1354862513.db2.gz DUIRIPRJILTXGL-QZTJIDSGSA-N 2 2 330.476 2.416 10 30 EEEELP C=CC[N@H+]1CC[C@@H](N(CCC)C(=O)c2cc([C@H]3CCC[NH+]3C)[nH]n2)C1 ZINC001664667633 1355205895 /nfs/dbraw/zinc/20/58/95/1355205895.db2.gz OQVZZLHNZBDHNO-CRAIPNDOSA-N 2 2 345.491 2.289 10 30 EEEELP C=CC[N@@H+]1CC[C@@H](N(CCC)C(=O)c2cc([C@H]3CCC[NH+]3C)[nH]n2)C1 ZINC001664667633 1355205899 /nfs/dbraw/zinc/20/58/99/1355205899.db2.gz OQVZZLHNZBDHNO-CRAIPNDOSA-N 2 2 345.491 2.289 10 30 EEEELP C=CC[NH+]1CC[C@@H](N(CCC)C(=O)c2cc([C@H]3CCC[N@@H+]3C)[nH]n2)C1 ZINC001664667633 1355205903 /nfs/dbraw/zinc/20/59/03/1355205903.db2.gz OQVZZLHNZBDHNO-CRAIPNDOSA-N 2 2 345.491 2.289 10 30 EEEELP C=CC[NH+]1CC[C@@H](N(CCC)C(=O)c2cc([C@H]3CCC[N@H+]3C)[nH]n2)C1 ZINC001664667633 1355205905 /nfs/dbraw/zinc/20/59/05/1355205905.db2.gz OQVZZLHNZBDHNO-CRAIPNDOSA-N 2 2 345.491 2.289 10 30 EEEELP C=C(C)CC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)Cc1c[nH+]ccc1OC ZINC001667733479 1355801318 /nfs/dbraw/zinc/80/13/18/1355801318.db2.gz IQDYRMLKODHIPJ-RDJZCZTQSA-N 2 2 331.460 2.473 10 30 EEEELP CCN(CC[NH2+]Cc1ccccc1C#N)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001668570589 1355965516 /nfs/dbraw/zinc/96/55/16/1355965516.db2.gz UHFOEZQTSFUAOP-MRXNPFEDSA-N 2 2 339.443 2.344 10 30 EEEELP CC#CC[N@@H+]1CC[C@@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C(C)(C)C1 ZINC000940746108 779202683 /nfs/dbraw/zinc/20/26/83/779202683.db2.gz ZVZVRERHIFXGMV-QGZVFWFLSA-N 2 2 338.455 2.496 10 30 EEEELP CC#CC[N@H+]1CC[C@@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C(C)(C)C1 ZINC000940746108 779202686 /nfs/dbraw/zinc/20/26/86/779202686.db2.gz ZVZVRERHIFXGMV-QGZVFWFLSA-N 2 2 338.455 2.496 10 30 EEEELP C=C(C)C[N@H+]1CC[C@H](NC(=O)c2cc(C[NH+](C)C)on2)C(C)(C)C1 ZINC000940853807 779438982 /nfs/dbraw/zinc/43/89/82/779438982.db2.gz UNEYJXHZZJCUDM-INIZCTEOSA-N 2 2 334.464 2.143 10 30 EEEELP C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2cc(C[NH+](C)C)on2)C(C)(C)C1 ZINC000940853807 779438988 /nfs/dbraw/zinc/43/89/88/779438988.db2.gz UNEYJXHZZJCUDM-INIZCTEOSA-N 2 2 334.464 2.143 10 30 EEEELP C=CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C(C)(C)C1 ZINC000941040963 779783854 /nfs/dbraw/zinc/78/38/54/779783854.db2.gz CTFDOIJFINTVHP-INMHGKMJSA-N 2 2 330.476 2.316 10 30 EEEELP C=CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C(C)(C)C1 ZINC000941040963 779783863 /nfs/dbraw/zinc/78/38/63/779783863.db2.gz CTFDOIJFINTVHP-INMHGKMJSA-N 2 2 330.476 2.316 10 30 EEEELP C=C(Br)C[NH2+][C@H](C)[C@@H](C)NC(=O)CCCn1cc[nH+]c1 ZINC001440852250 1094110993 /nfs/dbraw/zinc/11/09/93/1094110993.db2.gz OZSRMFXAROKCAU-CHWSQXEVSA-N 2 2 343.269 2.055 10 30 EEEELP C=C(Br)C[N@H+]1CC[C@H](NC(=O)CCC[NH+](C)C)[C@H]1CC ZINC001479640200 1098669748 /nfs/dbraw/zinc/66/97/48/1098669748.db2.gz BZIHVRGVEPVXEQ-UONOGXRCSA-N 2 2 346.313 2.206 10 30 EEEELP C=C(Br)C[N@@H+]1CC[C@H](NC(=O)CCC[NH+](C)C)[C@H]1CC ZINC001479640200 1098669753 /nfs/dbraw/zinc/66/97/53/1098669753.db2.gz BZIHVRGVEPVXEQ-UONOGXRCSA-N 2 2 346.313 2.206 10 30 EEEELP C=CCCC[N@H+]1CC[C@@H]2CN(C(=O)CCc3[nH+]ccn3C)CC[C@@H]21 ZINC001496861889 1101626350 /nfs/dbraw/zinc/62/63/50/1101626350.db2.gz UZIUEIFAMYSKJC-SJORKVTESA-N 2 2 330.476 2.242 10 30 EEEELP C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)CCc3[nH+]ccn3C)CC[C@@H]21 ZINC001496861889 1101626355 /nfs/dbraw/zinc/62/63/55/1101626355.db2.gz UZIUEIFAMYSKJC-SJORKVTESA-N 2 2 330.476 2.242 10 30 EEEELP C=CCC[N@H+]1CCC[C@H]1CCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001480830770 1107219996 /nfs/dbraw/zinc/21/99/96/1107219996.db2.gz NRLLWFKVNMZECN-BRWVUGGUSA-N 2 2 330.476 2.461 10 30 EEEELP C=CCC[N@@H+]1CCC[C@H]1CCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001480830770 1107220011 /nfs/dbraw/zinc/22/00/11/1107220011.db2.gz NRLLWFKVNMZECN-BRWVUGGUSA-N 2 2 330.476 2.461 10 30 EEEELP C=CC[NH2+][C@H](C)[C@H]1CCN(C(=O)Cc2cn3cccc(C)c3[nH+]2)C1 ZINC001501075128 1113189779 /nfs/dbraw/zinc/18/97/79/1113189779.db2.gz DMPXUAXQXCDTON-CVEARBPZSA-N 2 2 326.444 2.198 10 30 EEEELP CC#CC[NH2+]C[C@@H]1CC[C@@H](NC(=O)Cc2cn3cccc(C)c3[nH+]2)C1 ZINC001507414182 1115257880 /nfs/dbraw/zinc/25/78/80/1115257880.db2.gz IFDDFFIEBHSPIN-IAGOWNOFSA-N 2 2 338.455 2.083 10 30 EEEELP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+](CC#Cc2ccc(F)cc2)CC1 ZINC000160079105 530052686 /nfs/dbraw/zinc/05/26/86/530052686.db2.gz RTLRMYNBVPDQJD-HXUWFJFHSA-N 2 2 329.463 2.279 10 30 EEEELP C[N@H+]1CCCC[C@@H]1CN1CC[NH+](CC#Cc2ccc(F)cc2)CC1 ZINC000160079105 530052687 /nfs/dbraw/zinc/05/26/87/530052687.db2.gz RTLRMYNBVPDQJD-HXUWFJFHSA-N 2 2 329.463 2.279 10 30 EEEELP O=C(NCc1cn2c([nH+]1)CCCC2)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000329292587 539771095 /nfs/dbraw/zinc/77/10/95/539771095.db2.gz NTRSXPUBEPXWTA-MRXNPFEDSA-N 2 2 331.464 2.194 10 30 EEEELP C[N@@H+]1CCC[C@@H]1CNC([O-])=[NH+][C@H]1CCc2[nH+]c(C(C)(C)C)cn2C1 ZINC000329248697 465279081 /nfs/dbraw/zinc/27/90/81/465279081.db2.gz WSQTZJIWIBGHRP-UONOGXRCSA-N 2 2 333.480 2.093 10 30 EEEELP C[N@H+]1CCC[C@@H]1CNC([O-])=[NH+][C@H]1CCc2[nH+]c(C(C)(C)C)cn2C1 ZINC000329248697 465279086 /nfs/dbraw/zinc/27/90/86/465279086.db2.gz WSQTZJIWIBGHRP-UONOGXRCSA-N 2 2 333.480 2.093 10 30 EEEELP C[N@@H+]1CCC[C@@H]1CNC(=O)N[C@H]1CCc2[nH+]c(C(C)(C)C)cn2C1 ZINC000329248697 465279091 /nfs/dbraw/zinc/27/90/91/465279091.db2.gz WSQTZJIWIBGHRP-UONOGXRCSA-N 2 2 333.480 2.093 10 30 EEEELP C[N@H+]1CCC[C@@H]1CNC(=O)N[C@H]1CCc2[nH+]c(C(C)(C)C)cn2C1 ZINC000329248697 465279096 /nfs/dbraw/zinc/27/90/96/465279096.db2.gz WSQTZJIWIBGHRP-UONOGXRCSA-N 2 2 333.480 2.093 10 30 EEEELP Cn1cc[nH+]c1CC1CC[NH+](CC(=O)Nc2cccc(C#N)c2)CC1 ZINC000105875707 463485209 /nfs/dbraw/zinc/48/52/09/463485209.db2.gz HUYKJKHMDZMCSJ-UHFFFAOYSA-N 2 2 337.427 2.185 10 30 EEEELP C=CCc1ccc(OC[C@H](O)C[NH+]2CCC([NH+](C)C)CC2)c(OC)c1 ZINC000193811776 463744267 /nfs/dbraw/zinc/74/42/67/463744267.db2.gz JGUFKUOBYRZYJU-GOSISDBHSA-N 2 2 348.487 2.189 10 30 EEEELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CC(=O)Nc1sccc1C#N ZINC000178750665 463962391 /nfs/dbraw/zinc/96/23/91/463962391.db2.gz YTSLMUYRVDEECI-CQSZACIVSA-N 2 2 329.429 2.228 10 30 EEEELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1CC(=O)Nc1sccc1C#N ZINC000178750665 463962393 /nfs/dbraw/zinc/96/23/93/463962393.db2.gz YTSLMUYRVDEECI-CQSZACIVSA-N 2 2 329.429 2.228 10 30 EEEELP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)N(C)C2(C#N)CCCCC2)[C@@H](C)C1 ZINC000245426525 464479796 /nfs/dbraw/zinc/47/97/96/464479796.db2.gz LJBLOHKJXMQNQA-DLBZAZTESA-N 2 2 334.508 2.333 10 30 EEEELP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)N(C)C2(C#N)CCCCC2)[C@@H](C)C1 ZINC000245426525 464479803 /nfs/dbraw/zinc/47/98/03/464479803.db2.gz LJBLOHKJXMQNQA-DLBZAZTESA-N 2 2 334.508 2.333 10 30 EEEELP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)N(C)C2(C#N)CCCCC2)[C@@H](C)C1 ZINC000245426525 464479805 /nfs/dbraw/zinc/47/98/05/464479805.db2.gz LJBLOHKJXMQNQA-DLBZAZTESA-N 2 2 334.508 2.333 10 30 EEEELP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)N(C)C2(C#N)CCCCC2)[C@@H](C)C1 ZINC000245426525 464479813 /nfs/dbraw/zinc/47/98/13/464479813.db2.gz LJBLOHKJXMQNQA-DLBZAZTESA-N 2 2 334.508 2.333 10 30 EEEELP COc1cc(C#N)ccc1C[N@@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000182896024 464752451 /nfs/dbraw/zinc/75/24/51/464752451.db2.gz DYNKTGLHZKUDJY-IBGZPJMESA-N 2 2 342.487 2.169 10 30 EEEELP COc1cc(C#N)ccc1C[N@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000182896024 464752458 /nfs/dbraw/zinc/75/24/58/464752458.db2.gz DYNKTGLHZKUDJY-IBGZPJMESA-N 2 2 342.487 2.169 10 30 EEEELP C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000366535901 465786814 /nfs/dbraw/zinc/78/68/14/465786814.db2.gz PSAPWWOTWNRTAT-VXLIZBOYSA-N 2 2 346.519 2.333 10 30 EEEELP C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000366535901 465786825 /nfs/dbraw/zinc/78/68/25/465786825.db2.gz PSAPWWOTWNRTAT-VXLIZBOYSA-N 2 2 346.519 2.333 10 30 EEEELP C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000366535901 465786833 /nfs/dbraw/zinc/78/68/33/465786833.db2.gz PSAPWWOTWNRTAT-VXLIZBOYSA-N 2 2 346.519 2.333 10 30 EEEELP C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000366535901 465786842 /nfs/dbraw/zinc/78/68/42/465786842.db2.gz PSAPWWOTWNRTAT-VXLIZBOYSA-N 2 2 346.519 2.333 10 30 EEEELP C[NH+]1CCN([C@H](C[NH2+]Cc2nc(C#N)cs2)c2cccs2)CC1 ZINC000569293864 468467322 /nfs/dbraw/zinc/46/73/22/468467322.db2.gz YJEZHZJZQZJQPN-CQSZACIVSA-N 2 2 347.513 2.155 10 30 EEEELP N#CCCCC[C@@H]([NH3+])C(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000594441157 468589248 /nfs/dbraw/zinc/58/92/48/468589248.db2.gz NWSONSAKOLJSBA-OAHLLOKOSA-N 2 2 341.415 2.312 10 30 EEEELP COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+]C1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000594950948 468730540 /nfs/dbraw/zinc/73/05/40/468730540.db2.gz VPAFKTRXNHKJQJ-GDIGMMSISA-N 2 2 341.455 2.310 10 30 EEEELP N#CCC(=O)N1CC[NH+](Cc2cccc(C[NH+]3CCCCC3)c2)CC1 ZINC000572852769 469008243 /nfs/dbraw/zinc/00/82/43/469008243.db2.gz MABSGRWWZRQVQC-UHFFFAOYSA-N 2 2 340.471 2.230 10 30 EEEELP C[NH+](C)CCC[N@H+](C)CCNC(=O)Nc1cc(C#N)cn1C(C)(C)C ZINC000596453482 469270806 /nfs/dbraw/zinc/27/08/06/469270806.db2.gz KZJJCCWZSZBZKQ-UHFFFAOYSA-N 2 2 348.495 2.120 10 30 EEEELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)Nc1cc(C#N)cn1C(C)(C)C ZINC000596453482 469270809 /nfs/dbraw/zinc/27/08/09/469270809.db2.gz KZJJCCWZSZBZKQ-UHFFFAOYSA-N 2 2 348.495 2.120 10 30 EEEELP C=CC[C@H]1CCN(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)C1 ZINC000623564670 469695249 /nfs/dbraw/zinc/69/52/49/469695249.db2.gz MYOFSWHIZMKWLT-INIZCTEOSA-N 2 2 334.508 2.153 10 30 EEEELP C=CC[C@@]1(C(=O)NC[C@H](c2c(F)cccc2F)[NH+](C)C)CCC[NH2+]1 ZINC000662735887 472227399 /nfs/dbraw/zinc/22/73/99/472227399.db2.gz ZKCXOMWYCSKWNJ-QAPCUYQASA-N 2 2 337.414 2.382 10 30 EEEELP N#Cc1cnn2cc(CN(c3cccc[nH+]3)[C@H]3CC[C@H]([NH3+])CC3)cnc12 ZINC000895111102 683941636 /nfs/dbraw/zinc/94/16/36/683941636.db2.gz LRGORKSVXSTOIL-QAQDUYKDSA-N 2 2 347.426 2.272 10 30 EEEELP C[C@@H]1CN(C(=[NH2+])NCc2c(Cl)cccc2-n2cc[nH+]c2)CCO1 ZINC000263214412 689489875 /nfs/dbraw/zinc/48/98/75/689489875.db2.gz ZQFGIAYLXZVRPA-GFCCVEGCSA-N 2 2 333.823 2.061 10 30 EEEELP C=C(Br)C[NH+]1C[C@H](NC(=O)CC[N@@H+](C)CC)C(C)(C)C1 ZINC001485579556 1191846837 /nfs/dbraw/zinc/84/68/37/1191846837.db2.gz PQGCQICSVDJUMW-ZDUSSCGKSA-N 2 2 346.313 2.063 10 30 EEEELP C=C(Br)C[NH+]1C[C@H](NC(=O)CC[N@H+](C)CC)C(C)(C)C1 ZINC001485579556 1191846839 /nfs/dbraw/zinc/84/68/39/1191846839.db2.gz PQGCQICSVDJUMW-ZDUSSCGKSA-N 2 2 346.313 2.063 10 30 EEEELP C=C(Br)C[N@H+]1C[C@H](NC(=O)CC[NH+](C)CC)C(C)(C)C1 ZINC001485579556 1191846841 /nfs/dbraw/zinc/84/68/41/1191846841.db2.gz PQGCQICSVDJUMW-ZDUSSCGKSA-N 2 2 346.313 2.063 10 30 EEEELP C=C(Br)C[N@@H+]1C[C@H](NC(=O)CC[NH+](C)CC)C(C)(C)C1 ZINC001485579556 1191846842 /nfs/dbraw/zinc/84/68/42/1191846842.db2.gz PQGCQICSVDJUMW-ZDUSSCGKSA-N 2 2 346.313 2.063 10 30 EEEELP C=CCCC[N@@H+]1CCCC2(CN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)C1 ZINC001485663002 1191882927 /nfs/dbraw/zinc/88/29/27/1191882927.db2.gz QEBIXRYYMSDNAD-HZPDHXFCSA-N 2 2 328.460 2.404 10 30 EEEELP C=CCCC[N@H+]1CCCC2(CN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)C1 ZINC001485663002 1191882928 /nfs/dbraw/zinc/88/29/28/1191882928.db2.gz QEBIXRYYMSDNAD-HZPDHXFCSA-N 2 2 328.460 2.404 10 30 EEEELP C=CCCC[N@@H+]1CCCC2(CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)C1 ZINC001485663002 1191882929 /nfs/dbraw/zinc/88/29/29/1191882929.db2.gz QEBIXRYYMSDNAD-HZPDHXFCSA-N 2 2 328.460 2.404 10 30 EEEELP C=CCCC[N@H+]1CCCC2(CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)C1 ZINC001485663002 1191882930 /nfs/dbraw/zinc/88/29/30/1191882930.db2.gz QEBIXRYYMSDNAD-HZPDHXFCSA-N 2 2 328.460 2.404 10 30 EEEELP C=C(C)C[N@H+](C)C[C@H]1CCCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001266460204 1176575663 /nfs/dbraw/zinc/57/56/63/1176575663.db2.gz XNGCAELDBNEODP-IAGOWNOFSA-N 2 2 330.476 2.192 10 30 EEEELP C=C(C)C[N@@H+](C)C[C@H]1CCCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001266460204 1176575670 /nfs/dbraw/zinc/57/56/70/1176575670.db2.gz XNGCAELDBNEODP-IAGOWNOFSA-N 2 2 330.476 2.192 10 30 EEEELP C=CC[NH2+]C[C@@]1(NC(=O)Cc2c[nH+]ccc2OC)CCCC[C@@H]1C ZINC001267870829 1180660204 /nfs/dbraw/zinc/66/02/04/1180660204.db2.gz RAHRDQLZRILHPK-KXBFYZLASA-N 2 2 331.460 2.473 10 30 EEEELP C#CCC[NH2+]C[C@@H](NC(=O)[C@@H]1CCc2c[nH+]cn2C1)C1CCCCC1 ZINC001482405675 1185628750 /nfs/dbraw/zinc/62/87/50/1185628750.db2.gz HEOVAWGHRYQBIC-IEBWSBKVSA-N 2 2 342.487 2.124 10 30 EEEELP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2CCCCCF ZINC001671015764 1193545128 /nfs/dbraw/zinc/54/51/28/1193545128.db2.gz WNOJFIZWZZBGIZ-OTWHNJEPSA-N 2 2 349.494 2.289 10 30 EEEELP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2CCCCCF ZINC001671015764 1193545129 /nfs/dbraw/zinc/54/51/29/1193545129.db2.gz WNOJFIZWZZBGIZ-OTWHNJEPSA-N 2 2 349.494 2.289 10 30 EEEELP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[NH+]2CCCCCF ZINC001671015764 1193545132 /nfs/dbraw/zinc/54/51/32/1193545132.db2.gz WNOJFIZWZZBGIZ-OTWHNJEPSA-N 2 2 349.494 2.289 10 30 EEEELP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[NH+]2CCCCCF ZINC001671015764 1193545134 /nfs/dbraw/zinc/54/51/34/1193545134.db2.gz WNOJFIZWZZBGIZ-OTWHNJEPSA-N 2 2 349.494 2.289 10 30 EEEELP CC#CC[NH2+][C@H]1CCN(C(=O)Cc2cn3c([nH+]2)CCCC3)C[C@@H]1CC ZINC001483615429 1190591909 /nfs/dbraw/zinc/59/19/09/1190591909.db2.gz MRUNHTREOFHGOY-WMZOPIPTSA-N 2 2 342.487 2.002 10 30 EEEELP CC#CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001483805673 1191051942 /nfs/dbraw/zinc/05/19/42/1191051942.db2.gz UFKTWJWNJPOKDI-MQVJKMGUSA-N 2 2 328.460 2.212 10 30 EEEELP C=CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001484826015 1191544041 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EEEELP N#CC1CCC(C[NH+]2CCC(C(N)=O)([NH+]3CCCCC3)CC2)CC1 ZINC000931687438 1207441506 /nfs/dbraw/zinc/44/15/06/1207441506.db2.gz WCNTWRVSZAHSFT-UHFFFAOYSA-N 2 2 332.492 2.122 10 30 EEEELP C[N@@H+](CC#Cc1ccccc1)CCNC(=O)[C@@H]1CCC[C@H]2CCC[NH+]21 ZINC001267221249 1276645205 /nfs/dbraw/zinc/64/52/05/1276645205.db2.gz ZHTAUUMNNHBZNK-PMACEKPBSA-N 2 2 339.483 2.103 10 30 EEEELP C[N@H+](CC#Cc1ccccc1)CCNC(=O)[C@@H]1CCC[C@H]2CCC[NH+]21 ZINC001267221249 1276645216 /nfs/dbraw/zinc/64/52/16/1276645216.db2.gz ZHTAUUMNNHBZNK-PMACEKPBSA-N 2 2 339.483 2.103 10 30 EEEELP C[NH+](CC#Cc1ccccc1)CCNC(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001267221249 1276645224 /nfs/dbraw/zinc/64/52/24/1276645224.db2.gz ZHTAUUMNNHBZNK-PMACEKPBSA-N 2 2 339.483 2.103 10 30 EEEELP C[NH+](CC#Cc1ccccc1)CCNC(=O)[C@@H]1CCC[C@H]2CCC[N@H+]21 ZINC001267221249 1276645235 /nfs/dbraw/zinc/64/52/35/1276645235.db2.gz ZHTAUUMNNHBZNK-PMACEKPBSA-N 2 2 339.483 2.103 10 30 EEEELP C[C@H]1CCC[N@H+](Cc2csc(NC(=O)C#CC3CC[NH2+]CC3)n2)C1 ZINC000852854843 1292216959 /nfs/dbraw/zinc/21/69/59/1292216959.db2.gz RLOFYBSLUPSJPI-AWEZNQCLSA-N 2 2 346.500 2.317 10 30 EEEELP C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)C#CC3CC[NH2+]CC3)n2)C1 ZINC000852854843 1292216967 /nfs/dbraw/zinc/21/69/67/1292216967.db2.gz RLOFYBSLUPSJPI-AWEZNQCLSA-N 2 2 346.500 2.317 10 30 EEEELP N#CC1(C[C@@H](O)C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)CCOCC1 ZINC000863551914 1296331549 /nfs/dbraw/zinc/33/15/49/1296331549.db2.gz SWINUEJSQGEWRD-GOSISDBHSA-N 2 2 340.427 2.033 10 30 EEEELP C=CCC[N@@H+](C)C[C@@H]1CCCCN1C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001264741654 1322798472 /nfs/dbraw/zinc/79/84/72/1322798472.db2.gz KZFJYHVZDPJSBM-IRXDYDNUSA-N 2 2 330.476 2.335 10 30 EEEELP C=CCC[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001264741654 1322798478 /nfs/dbraw/zinc/79/84/78/1322798478.db2.gz KZFJYHVZDPJSBM-IRXDYDNUSA-N 2 2 330.476 2.335 10 30 EEEELP C=CC[N@@H+](C)C[C@H]1CCCN(C(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001265388254 1323116236 /nfs/dbraw/zinc/11/62/36/1323116236.db2.gz ATMFZZJZDXUMLA-MRXNPFEDSA-N 2 2 330.476 2.118 10 30 EEEELP C=CC[N@H+](C)C[C@H]1CCCN(C(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001265388254 1323116245 /nfs/dbraw/zinc/11/62/45/1323116245.db2.gz ATMFZZJZDXUMLA-MRXNPFEDSA-N 2 2 330.476 2.118 10 30 EEEELP O=C(Cc1c[nH]c[nH+]1)N[C@@H]1CCC[C@H]([NH2+]CC#Cc2ccccc2)C1 ZINC001266072361 1323627784 /nfs/dbraw/zinc/62/77/84/1323627784.db2.gz VTPHHCSIIMIONL-ZWKOTPCHSA-N 2 2 336.439 2.021 10 30 EEEELP C=C(C)C[NH2+]CC[C@H]1CCCCN1C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001319764904 1332761614 /nfs/dbraw/zinc/76/16/14/1332761614.db2.gz GELWFHGQCJTMJQ-DLBZAZTESA-N 2 2 330.476 2.382 10 30 EEEELP C#CCN(C(=O)CCCn1cc[nH+]c1)C1CC[NH+](CC[C@H](C)F)CC1 ZINC001324442262 1333685310 /nfs/dbraw/zinc/68/53/10/1333685310.db2.gz YCTCBLFOIQIXQZ-KRWDZBQOSA-N 2 2 348.466 2.338 10 30 EEEELP CCCCCCC[N@@H+]1CCO[C@@]2(CCN(C(=O)Cc3c[nH+]c[nH]3)C2)C1 ZINC001330161010 1334790018 /nfs/dbraw/zinc/79/00/18/1334790018.db2.gz SFGYFJQJSKFMGM-IBGZPJMESA-N 2 2 348.491 2.226 10 30 EEEELP 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ZINC001569363723 1342859600 /nfs/dbraw/zinc/85/96/00/1342859600.db2.gz ZIMAPNKRQJRXAN-IRXDYDNUSA-N 2 2 330.476 2.382 10 30 EEEELP C=CCCC[NH+]1CCC(C)(NC(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC001569573369 1342898840 /nfs/dbraw/zinc/89/88/40/1342898840.db2.gz PPGHNHMNILUVOL-INIZCTEOSA-N 2 2 330.476 2.382 10 30 EEEELP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+]1CC/C=C\CCC ZINC001663502838 1354974238 /nfs/dbraw/zinc/97/42/38/1354974238.db2.gz ITXXLEZSJCMSBK-RJCMGOLDSA-N 2 2 331.504 2.411 10 30 EEEELP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+]1CC/C=C\CCC ZINC001663502838 1354974242 /nfs/dbraw/zinc/97/42/42/1354974242.db2.gz ITXXLEZSJCMSBK-RJCMGOLDSA-N 2 2 331.504 2.411 10 30 EEEELP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[NH+]1CC/C=C\CCC ZINC001663502838 1354974243 /nfs/dbraw/zinc/97/42/43/1354974243.db2.gz ITXXLEZSJCMSBK-RJCMGOLDSA-N 2 2 331.504 2.411 10 30 EEEELP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[NH+]1CC/C=C\CCC ZINC001663502838 1354974247 /nfs/dbraw/zinc/97/42/47/1354974247.db2.gz ITXXLEZSJCMSBK-RJCMGOLDSA-N 2 2 331.504 2.411 10 30 EEEELP C=CC[N@H+]1CC[C@@H](N(CCC)C(=O)c2cc([C@@H]3CCC[NH+]3C)[nH]n2)C1 ZINC001664667635 1355206448 /nfs/dbraw/zinc/20/64/48/1355206448.db2.gz OQVZZLHNZBDHNO-QAPCUYQASA-N 2 2 345.491 2.289 10 30 EEEELP C=CC[N@@H+]1CC[C@@H](N(CCC)C(=O)c2cc([C@@H]3CCC[NH+]3C)[nH]n2)C1 ZINC001664667635 1355206454 /nfs/dbraw/zinc/20/64/54/1355206454.db2.gz OQVZZLHNZBDHNO-QAPCUYQASA-N 2 2 345.491 2.289 10 30 EEEELP C=CC[NH+]1CC[C@@H](N(CCC)C(=O)c2cc([C@@H]3CCC[N@@H+]3C)[nH]n2)C1 ZINC001664667635 1355206461 /nfs/dbraw/zinc/20/64/61/1355206461.db2.gz OQVZZLHNZBDHNO-QAPCUYQASA-N 2 2 345.491 2.289 10 30 EEEELP C=CC[NH+]1CC[C@@H](N(CCC)C(=O)c2cc([C@@H]3CCC[N@H+]3C)[nH]n2)C1 ZINC001664667635 1355206470 /nfs/dbraw/zinc/20/64/70/1355206470.db2.gz OQVZZLHNZBDHNO-QAPCUYQASA-N 2 2 345.491 2.289 10 30 EEEELP C=CCC[N@H+]1CC[C@H](N(CCC)C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001664674073 1355209029 /nfs/dbraw/zinc/20/90/29/1355209029.db2.gz VZNDZSWORCSZCX-IRXDYDNUSA-N 2 2 330.476 2.335 10 30 EEEELP C=CCC[N@@H+]1CC[C@H](N(CCC)C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001664674073 1355209036 /nfs/dbraw/zinc/20/90/36/1355209036.db2.gz VZNDZSWORCSZCX-IRXDYDNUSA-N 2 2 330.476 2.335 10 30 EEEELP C=C(C)CC[NH2+]C1(CNC(=O)[C@H]2CCc3c[nH+]cn3C2)CCCC1 ZINC001666772871 1355588939 /nfs/dbraw/zinc/58/89/39/1355588939.db2.gz ZYPNBUHMXXFRJG-INIZCTEOSA-N 2 2 330.476 2.430 10 30 EEEELP C#CC[NH+]1Cc2ccccc2C[C@@H]1CNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001673634787 1356721529 /nfs/dbraw/zinc/72/15/29/1356721529.db2.gz VLQIBTUSEBSADN-VQTJNVASSA-N 2 2 339.483 2.037 10 30 EEEELP C#CC[NH+]1Cc2ccccc2C[C@@H]1CNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001673634787 1356721534 /nfs/dbraw/zinc/72/15/34/1356721534.db2.gz VLQIBTUSEBSADN-VQTJNVASSA-N 2 2 339.483 2.037 10 30 EEEELP C#CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001673634787 1356721538 /nfs/dbraw/zinc/72/15/38/1356721538.db2.gz VLQIBTUSEBSADN-VQTJNVASSA-N 2 2 339.483 2.037 10 30 EEEELP 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